NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
6317 |
1isk   |
cing | 1-original | 12 | DYANA/DIANA | distance | NOE | simple |
#--------------------------------------------------------------
# HA(i)-HN(i+1)
62 PRO HA 63 LEU HN 2.70 1.00e+00 # HA(i)-HN(i+1)
362 PRO HA 363 LEU HN 2.70 1.00e+00
63 LEU HA 64 ALA HN 2.70 1.00e+00 # HA(i)-HN(i+1)
363 LEU HA 364 ALA HN 2.70 1.00e+00
64 ALA HA 65 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
364 ALA HA 365 VAL HN 2.70 1.00e+00
65 VAL HA 66 GLU HN 2.70 1.00e+00 # HA(i)-HN(i+1)
365 VAL HA 366 GLU HN 2.70 1.00e+00
66 GLU HA 67 LEU HN 2.70 1.00e+00 # HA(i)-HN(i+1)
366 GLU HA 367 LEU HN 2.70 1.00e+00
67 LEU HA 68 THR HN 2.70 1.00e+00 # HA(i)-HN(i+1)
367 LEU HA 368 THR HN 2.70 1.00e+00
70 GLU HA 71 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
370 GLU HA 371 VAL HN 2.70 1.00e+00
71 VAL HA 72 ARG HN 2.70 1.00e+00 # HA(i)-HN(i+1)
371 VAL HA 372 ARG HN 2.70 1.00e+00
72 ARG HA 73 ALA HN 2.70 1.00e+00 # HA(i)-HN(i+1)
372 ARG HA 373 ALA HN 2.70 1.00e+00
73 ALA HA 74 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
373 ALA HA 374 VAL HN 2.70 1.00e+00
74 VAL HA 75 ALA HN 3.30 1.00e+00 # HA(i)-HN(i+1)
374 VAL HA 375 ALA HN 3.30 1.00e+00
77 GLU HA 78 ALA HN 2.70 1.00e+00 # HA(i)-HN(i+1)
377 GLU HA 378 ALA HN 2.70 1.00e+00
78 ALA HA 79 ALA HN 2.70 1.00e+00 # HA(i)-HN(i+1)
378 ALA HA 379 ALA HN 2.70 1.00e+00
79 ALA HA 80 PHE HN 2.70 1.00e+00 # HA(i)-HN(i+1)
379 ALA HA 380 PHE HN 2.70 1.00e+00
80 PHE HA 81 ALA HN 2.70 1.00e+00 # HA(i)-HN(i+1)
380 PHE HA 381 ALA HN 2.70 1.00e+00
81 ALA HA 82 PHE HN 2.70 1.00e+00 # HA(i)-HN(i+1)
381 ALA HA 382 PHE HN 2.70 1.00e+00
82 PHE HA 83 THR HN 2.70 1.00e+00 # HA(i)-HN(i+1)
382 PHE HA 383 THR HN 2.70 1.00e+00
83 THR HA 84 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
383 THR HA 384 VAL HN 2.70 1.00e+00
84 VAL HA 85 SER HN 2.70 1.00e+00 # HA(i)-HN(i+1)
384 VAL HA 385 SER HN 2.70 1.00e+00
85 SER HA 86 PHE HN 2.70 1.00e+00 # HA(i)-HN(i+1)
385 SER HA 386 PHE HN 2.70 1.00e+00
86 PHE HA 87 GLU HN 2.70 1.00e+00 # HA(i)-HN(i+1)
386 PHE HA 387 GLU HN 2.70 1.00e+00
87 GLU HA 88 TYR HN 2.70 1.00e+00 # HA(i)-HN(i+1)
387 GLU HA 388 TYR HN 2.70 1.00e+00
88 TYR HA 89 GLN HN 2.70 1.00e+00 # HA(i)-HN(i+1)
388 TYR HA 389 GLN HN 2.70 1.00e+00
89 GLN HA 90 GLY HN 2.70 1.00e+00 # HA(i)-HN(i+1)
389 GLN HA 390 GLY HN 2.70 1.00e+00
91 ARG HA 92 LYS HN 2.70 1.00e+00 # HA(i)-HN(i+1)
391 ARG HA 392 LYS HN 2.70 1.00e+00
92 LYS HA 93 THR HN 2.70 1.00e+00 # HA(i)-HN(i+1)
392 LYS HA 393 THR HN 2.70 1.00e+00
93 THR HA 94 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
393 THR HA 394 VAL HN 2.70 1.00e+00
94 VAL HA 95 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
394 VAL HA 395 VAL HN 2.70 1.00e+00
95 VAL HA 96 ALA HN 2.70 1.00e+00 # HA(i)-HN(i+1)
395 VAL HA 396 ALA HN 2.70 1.00e+00
97 PRO HA 98 ILE HN 2.70 1.00e+00 # HA(i)-HN(i+1)
397 PRO HA 398 ILE HN 2.70 1.00e+00
98 ILE HA 99 ASP HN 2.70 1.00e+00 # HA(i)-HN(i+1)
398 ILE HA 399 ASP HN 2.70 1.00e+00
99 ASP HA 100 HIS HN 2.70 1.00e+00 # HA(i)-HN(i+1)
399 ASP HA 400 HIS HN 2.70 1.00e+00
100 HIS HA 101 PHE HN 2.70 1.00e+00 # HA(i)-HN(i+1)
400 HIS HA 401 PHE HN 2.70 1.00e+00
101 PHE HA 102 ARG HN 2.70 1.00e+00 # HA(i)-HN(i+1)
401 PHE HA 402 ARG HN 2.70 1.00e+00
102 ARG HA 103 PHE HN 2.70 1.00e+00 # HA(i)-HN(i+1)
402 ARG HA 403 PHE HN 2.70 1.00e+00
103 PHE HA 104 ASN HN 2.70 1.00e+00 # HA(i)-HN(i+1)
403 PHE HA 404 ASN HN 2.70 1.00e+00
108 LYS HA 109 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
408 LYS HA 409 VAL HN 2.70 1.00e+00
109 VAL HA 110 VAL HN 2.70 1.00e+00 # HA(i)-HN(i+1)
409 VAL HA 410 VAL HN 2.70 1.00e+00
110 VAL HN 111 SER HN 2.70 1.00e+00 # HN(i)-HN(i+1) BULGE
410 VAL HN 411 SER HN 2.70 1.00e+00
111 SER HA 112 MET HN 2.70 1.00e+00 # HA(i)-HN(i+1)
411 SER HA 412 MET HN 2.70 1.00e+00
112 MET HA 113 ARG HN 2.70 1.00e+00 # HA(i)-HN(i+1)
412 MET HA 413 ARG HN 2.70 1.00e+00
113 ARG HA 114 ALA HN 2.70 1.00e+00 # HA(i)-HN(i+1)
413 ARG HA 414 ALA HN 2.70 1.00e+00
114 ALA HA 115 LEU HN 2.70 1.00e+00 # HA(i)-HN(i+1)
414 ALA HA 415 LEU HN 2.70 1.00e+00
115 LEU HA 116 PHE HN 2.70 1.00e+00 # HA(i)-HN(i+1)
415 LEU HA 416 PHE HN 2.70 1.00e+00
116 PHE HA 117 GLY HN 2.70 1.00e+00 # HA(i)-HN(i+1)
416 PHE HA 417 GLY HN 2.70 1.00e+00
# HA-HA XSHEET
65 VAL HA 84 VAL HA 2.70 1.00e+00 # HA-HA XSHEET STRAND3-4
365 VAL HA 384 VAL HA 2.70 1.00e+00
67 LEU HA 82 PHE HA 3.30 1.00e+00 # HA-HA XSHEET STRAND3-4
367 LEU HA 382 PHE HA 3.30 1.00e+00
71 VAL HA 80 PHE HA 3.30 1.00e+00 # HA-HA XSHEET STRAND3-4
371 VAL HA 380 PHE HA 3.30 1.00e+00
73 ALA HA 78 ALA HA 3.30 1.00e+00 # HA-HA XSHEET STRAND3-4
373 ALA HA 378 ALA HA 3.30 1.00e+00
77 GLU HA 102 ARG HA 2.70 1.00e+00 # HA-HA XSHEET STRAND4-5
377 GLU HA 402 ARG HA 2.70 1.00e+00
79 ALA HA 100 HIS HA 2.70 1.00e+00 # HA-HA XSHEET STRAND4-5
379 ALA HA 400 HIS HA 2.70 1.00e+00
81 ALA HA 98 ILE HA 2.70 1.00e+00 # HA-HA XSHEET STRAND4-5
381 ALA HA 398 ILE HA 2.70 1.00e+00
83 THR HA 96 ALA HA 2.70 1.00e+00 # HA-HA XSHEET STRAND4-5
383 THR HA 396 ALA HA 2.70 1.00e+00
85 SER HA 94 VAL HA 2.70 1.00e+00 # HA-HA XSHEET STRAND4-5
385 SER HA 394 VAL HA 2.70 1.00e+00
87 GLU HA 92 LYS HA 2.70 1.00e+00 # HA-HA XSHEET STRAND4-5
387 GLU HA 392 LYS HA 2.70 1.00e+00
97 PRO HA 116 PHE HA 2.70 1.00e+00 # HA-HA XSHEET STRAND5-6
397 PRO HA 416 PHE HA 2.70 1.00e+00
99 ASP HA 114 ALA HA 2.70 1.00e+00 # HA-HA XSHEET STRAND5-6
399 ASP HA 414 ALA HA 2.70 1.00e+00
101 PHE HA 112 MET HA 2.70 1.00e+00 # HA-HA XSHEET STRAND5-6
401 PHE HA 412 MET HA 2.70 1.00e+00
103 PHE HA 109 VAL HA 2.70 1.00e+00 # HA-HA XSHEET STRAND5-6
403 PHE HA 409 VAL HA 2.70 1.00e+00
93 THR HA 123 ALA HA 2.70 1.00e+00 # HA-HA XSHEET STRAND5-6
393 THR HA 423 ALA HA 2.70 1.00e+00
95 VAL HA 121 ILE HA 2.70 1.00e+00 # HA-HA XSHEET STRAND5-6
395 VAL HA 421 ILE HA 2.70 1.00e+00
# HA-HN XSHEET
63 LEU HA 87 GLU HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
363 LEU HA 387 GLU HN 5.00 1.00e+00
65 VAL HA 85 SER HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
365 VAL HA 385 SER HN 5.00 1.00e+00
67 LEU HA 83 THR HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
367 LEU HA 383 THR HN 5.00 1.00e+00
71 VAL HA 81 ALA HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
371 VAL HA 381 ALA HN 5.00 1.00e+00
73 ALA HA 79 ALA HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
373 ALA HA 379 ALA HN 5.00 1.00e+00
77 GLU HA 103 PHE HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
377 GLU HA 403 PHE HN 5.00 1.00e+00
78 ALA HA 74 VAL HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
378 ALA HA 374 VAL HN 5.00 1.00e+00
79 ALA HA 101 PHE HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
379 ALA HA 401 PHE HN 5.00 1.00e+00
80 PHE HA 72 ARG HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
380 PHE HA 372 ARG HN 5.00 1.00e+00
81 ALA HA 99 ASP HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
381 ALA HA 399 ASP HN 5.00 1.00e+00
82 PHE HA 68 THR HN 5.00 1.00e+00 # HA-HN XSHEET BULGE
382 PHE HA 368 THR HN 5.00 1.00e+00
84 VAL HA 66 GLU HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
384 VAL HA 366 GLU HN 5.00 1.00e+00
85 SER HA 95 VAL HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
385 SER HA 395 VAL HN 5.00 1.00e+00
86 PHE HA 64 ALA HN 5.00 1.00e+00 # HA-HN XSHEET STRAND3-4
386 PHE HA 364 ALA HN 5.00 1.00e+00
87 GLU HA 93 THR HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
387 GLU HA 393 THR HN 5.00 1.00e+00
92 LYS HA 88 TYR HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
392 LYS HA 388 TYR HN 5.00 1.00e+00
94 VAL HA 86 PHE HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
394 VAL HA 386 PHE HN 5.00 1.00e+00
96 ALA HA 84 VAL HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
396 ALA HA 384 VAL HN 5.00 1.00e+00
98 ILE HA 82 PHE HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
398 ILE HA 382 PHE HN 5.00 1.00e+00
99 ASP HA 115 LEU HN 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
399 ASP HA 415 LEU HN 5.00 1.00e+00
100 HIS HA 80 PHE HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
400 HIS HA 380 PHE HN 5.00 1.00e+00
101 PHE HA 113 ARG HN 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
401 PHE HA 413 ARG HN 5.00 1.00e+00
102 ARG HA 78 ALA HN 5.00 1.00e+00 # HA-HN XSHEET STRAND4-5
402 ARG HA 378 ALA HN 5.00 1.00e+00
103 PHE HA 110 VAL HN 3.30 1.00e+00 # HA-HN XSHEET BULGE
403 PHE HA 410 VAL HN 3.30 1.00e+00
109 VAL HA 104 ASN HN 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
409 VAL HA 404 ASN HN 5.00 1.00e+00
114 ALA HA 100 HIS HN 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
414 ALA HA 400 HIS HN 5.00 1.00e+00
96 ALA HN 121 ILE HA 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
396 ALA HN 421 ILE HA 5.00 1.00e+00
95 VAL HA 122 HIS HN 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
395 VAL HA 422 HIS HN 5.00 1.00e+00
94 VAL HN 123 ALA HA 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
394 VAL HN 423 ALA HA 5.00 1.00e+00
93 THR HA 124 GLY HN 5.00 1.00e+00 # HA-HN XSHEET STRAND5-6
393 THR HA 424 GLY HN 5.00 1.00e+00
# HN-HN XSHEET
64 ALA HN 85 SER HN 3.30 1.00e+00 # HN-HN XSHEET STRAND3-4
364 ALA HN 385 SER HN 3.30 1.00e+00
66 GLU HN 83 THR HN 5.00 1.00e+00 # HN-HN XSHEET BULGE
366 GLU HN 383 THR HN 5.00 1.00e+00
68 THR HN 83 THR HN 5.00 1.00e+00 # HN-HN XSHEET BULGE
368 THR HN 383 THR HN 5.00 1.00e+00
72 ARG HN 79 ALA HN 3.30 1.00e+00 # HN-HN XSHEET STRAND3-4
372 ARG HN 379 ALA HN 3.30 1.00e+00
74 VAL HN 77 GLU HN 3.30 1.00e+00 # HN-HN XSHEET STRAND3-4
374 VAL HN 377 GLU HN 3.30 1.00e+00
78 ALA HN 101 PHE HN 3.30 1.00e+00 # HN-HN XSHEET STRAND4-5
378 ALA HN 401 PHE HN 3.30 1.00e+00
80 PHE HN 99 ASP HN 5.00 1.00e+00 # HN-HN XSHEET STRAND4-5
380 PHE HN 399 ASP HN 5.00 1.00e+00
84 VAL HN 95 VAL HN 3.30 1.00e+00 # HN-HN XSHEET STRAND4-5
384 VAL HN 395 VAL HN 3.30 1.00e+00
86 PHE HN 93 THR HN 3.30 1.00e+00 # HN-HN XSHEET STRAND4-5
386 PHE HN 393 THR HN 3.30 1.00e+00
88 TYR HN 91 ARG HN 3.30 1.00e+00 # HN-HN XSHEET STRAND4-5
388 TYR HN 391 ARG HN 3.30 1.00e+00
98 ILE HN 115 LEU HN 5.00 1.00e+00 # HN-HN XSHEET STRAND5-6
398 ILE HN 415 LEU HN 5.00 1.00e+00
100 HIS HN 113 ARG HN 3.30 1.00e+00 # HN-HN XSHEET STRAND5-6
400 HIS HN 413 ARG HN 3.30 1.00e+00
102 ARG HN 110 VAL HN 5.00 1.00e+00 # HN-HN XSHEET BULGE
402 ARG HN 410 VAL HN 5.00 1.00e+00
104 ASN HN 108 LYS HN 5.00 1.00e+00 # HN-HN XSHEET STRAND5-6
404 ASN HN 408 LYS HN 5.00 1.00e+00
94 VAL HN 122 HIS HN 5.00 1.00e+00 # HN-HN XSHEET STRAND5-6
394 VAL HN 422 HIS HN 5.00 1.00e+00
#-------------------------------------------
# OTHER NOES TO SHEET2
# LEU-63
63 LEU QD1 65 VAL QG2 4.30 1.00e+00 #
363 LEU QD1 365 VAL QG2 4.30 1.00e+00
63 LEU QD2 86 PHE QR 6.10 1.00e+00 #
363 LEU QD2 386 PHE QR 6.10 1.00e+00
63 LEU QD2 86 PHE HB3 5.50 1.00e+00 #
363 LEU QD2 386 PHE HB3 5.50 1.00e+00
63 LEU QD2 84 VAL QQG 5.30 1.00e+00 #
363 LEU QD2 384 VAL QQG 5.30 1.00e+00
63 LEU QD2 85 SER HN 5.50 1.00e+00 #
363 LEU QD2 385 SER HN 5.50 1.00e+00
# ALA-64
64 ALA QB 85 SER QB 4.00 1.00e+00 #
364 ALA QB 385 SER QB 4.00 1.00e+00
# VAL-65
65 VAL HN 65 VAL HB 3.30 1.00e+00 # DEFINES Val65 CB
365 VAL HN 365 VAL HB 3.30 1.00e+00
65 VAL QG2 84 VAL HA 3.80 1.00e+00 #
365 VAL QG2 384 VAL HA 3.80 1.00e+00
65 VAL QG2 84 VAL HB 3.80 1.00e+00 #
365 VAL QG2 384 VAL HB 3.80 1.00e+00
65 VAL QG2 84 VAL QQG 5.30 1.00e+00 # XSHEET
365 VAL QG2 384 VAL QQG 5.30 1.00e+00
65 VAL QG1 66 GLU HN 3.20 1.00e+00 # SEQUENTIAL
365 VAL QG1 366 GLU HN 3.20 1.00e+00
65 VAL QG1 66 GLU HA 5.50 1.00e+00 # SEQUENTIAL
365 VAL QG1 366 GLU HA 5.50 1.00e+00
65 VAL QG1 82 PHE HD2 3.80 1.00e+00 #
365 VAL QG1 382 PHE HD2 3.80 1.00e+00
65 VAL QG1 84 VAL HA 5.50 1.00e+00 # XSHEET
365 VAL QG1 384 VAL HA 5.50 1.00e+00
# GLU-66
66 GLU QG 68 THR QG2 5.50 1.00e+00 # BULGE
366 GLU QG 368 THR QG2 5.50 1.00e+00
# LEU-67 {QD1,2 degenerate}
67 LEU QQD 71 VAL QG2 5.30 1.00e+00 # BULGE
367 LEU QQD 371 VAL QG2 5.30 1.00e+00
67 LEU QQD 80 PHE HD2 4.80 1.00e+00 # AROMATIC
367 LEU QQD 380 PHE HD2 4.80 1.00e+00
67 LEU QQD 69 GLN HN 4.80 1.00e+00 #
367 LEU QQD 369 GLN HN 4.80 1.00e+00
67 LEU QQD 82 PHE HA 6.50 1.00e+00 # XSHEET
367 LEU QQD 382 PHE HA 6.50 1.00e+00
67 LEU QQD 81 ALA HN 6.50 1.00e+00 #
367 LEU QQD 381 ALA HN 6.50 1.00e+00
67 LEU QB 68 THR HN 4.20 1.00e+00 # SEQUENTIAL
367 LEU QB 368 THR HN 4.20 1.00e+00
# THR-68
68 THR QG2 82 PHE HA 3.80 1.00e+00 # XSHEET BULGE
368 THR QG2 382 PHE HA 3.80 1.00e+00
68 THR QG2 83 THR HN 3.80 1.00e+00 # XSHEET BULGE
368 THR QG2 383 THR HN 3.80 1.00e+00
68 THR QG2 83 THR QG2 3.70 1.00e+00 # XSHEET BULGE
368 THR QG2 383 THR QG2 3.70 1.00e+00
68 THR HN 69 GLN HN 2.70 1.00e+00 # SEQUENTIAL b-BULGE
368 THR HN 369 GLN HN 2.70 1.00e+00
# GLN-69
69 GLN HE21 81 ALA QB 3.80 1.00e+00 # SIDE-CHAIN
369 GLN HE21 381 ALA QB 3.80 1.00e+00
69 GLN HE22 81 ALA QB 3.80 1.00e+00
369 GLN HE22 381 ALA QB 3.80 1.00e+00
69 GLN HN 82 PHE HA 5.00 1.00e+00 #
369 GLN HN 382 PHE HA 5.00 1.00e+00
69 GLN QB 70 GLU HN 3.50 1.00e+00 #
369 GLN QB 370 GLU HN 3.50 1.00e+00
#H-bond
69 GLN HE21 81 ALA O 2.00 1.00e+00 #
369 GLN HE21 381 ALA O 2.00 1.00e+00
# GLU-70
# VAL-71
71 VAL QG1 73 ALA QB 6.00 1.00e+00 #
371 VAL QG1 373 ALA QB 6.00 1.00e+00
71 VAL QG1 79 ALA HN 5.50 1.00e+00 # XSHEET
371 VAL QG1 379 ALA HN 5.50 1.00e+00
71 VAL QG1 78 ALA QB 4.30 1.00e+00 # XSHEET
371 VAL QG1 378 ALA QB 4.30 1.00e+00
71 VAL QG1 80 PHE HA 5.50 1.00e+00 # XSHEET
371 VAL QG1 380 PHE HA 5.50 1.00e+00
71 VAL QG2 80 PHE HA 5.50 1.00e+00 # XSHEET
371 VAL QG2 380 PHE HA 5.50 1.00e+00
71 VAL QG1 80 PHE QB 3.80 1.00e+00 # XSHEET
371 VAL QG1 380 PHE QB 3.80 1.00e+00
71 VAL QG1 80 PHE QR 7.80 1.00e+00 #
371 VAL QG1 380 PHE QR 7.80 1.00e+00
# ARG-72
# ALA-73
73 ALA HA 78 ALA QB 3.80 1.00e+00 # XSHEET
373 ALA HA 378 ALA QB 3.80 1.00e+00
73 ALA QB 78 ALA HA 3.80 1.00e+00 # XSHEET
373 ALA QB 378 ALA HA 3.80 1.00e+00
73 ALA QB 79 ALA HN 5.50 1.00e+00 #
373 ALA QB 379 ALA HN 5.50 1.00e+00
# VAL-74
# ALA-75
75 ALA QB 77 GLU HN 5.50 1.00e+00 #
375 ALA QB 377 GLU HN 5.50 1.00e+00
75 ALA HA 76 ASN HN 2.70 1.00e+00 #
375 ALA HA 376 ASN HN 2.70 1.00e+00
# ASN-76
# GLU-77
# ALA-78
78 ALA QB 103 PHE HE1 7.80 1.00e+00 # XSHEET
378 ALA QB 403 PHE HE1 7.80 1.00e+00
78 ALA QB 101 PHE HD2 5.50 1.00e+00 # XSHEET
378 ALA QB 401 PHE HD2 5.50 1.00e+00
78 ALA QB 80 PHE HD1 5.00 1.00e+00 #
378 ALA QB 380 PHE HD1 5.00 1.00e+00
# ALA-79
79 ALA QB 100 HIS HA 3.80 1.00e+00 # XSHEET
379 ALA QB 400 HIS HA 3.80 1.00e+00
79 ALA QB 98 ILE QG2 6.00 1.00e+00 # XSHEET
379 ALA QB 398 ILE QG2 6.00 1.00e+00
# PHE-80
80 PHE QR 99 ASP HB2 7.30 1.00e+00 # XSHEET
380 PHE QR 399 ASP HB2 7.30 1.00e+00
80 PHE QR 99 ASP HB3 7.30 1.00e+00 # XSHEET
380 PHE QR 399 ASP HB3 7.30 1.00e+00
80 PHE QR 82 PHE QR 9.60 1.00e+00 #
380 PHE QR 382 PHE QR 9.60 1.00e+00
80 PHE QR 99 ASP HN 7.30 1.00e+00 # XSHEET
380 PHE QR 399 ASP HN 7.30 1.00e+00
80 PHE HN 80 PHE HD1 2.70 1.00e+00 #
380 PHE HN 380 PHE HD1 2.70 1.00e+00
# ALA-81
81 ALA HN 80 PHE HD2 5.00 1.00e+00
381 ALA HN 380 PHE HD2 5.00 1.00e+00
# PHE-82 {aromatics assigned; see 65mgr.win}
82 PHE HD2 83 THR HN 3.30 1.00e+00 # SEQUENTIAL AROMATIC
382 PHE HD2 383 THR HN 3.30 1.00e+00
82 PHE HE1 99 ASP HN 5.00 1.00e+00 #
382 PHE HE1 399 ASP HN 5.00 1.00e+00
82 PHE HD1 99 ASP HN 5.00 1.00e+00
382 PHE HD1 399 ASP HN 5.00 1.00e+00
82 PHE HE1 99 ASP HB2 5.00 1.00e+00 #
382 PHE HE1 399 ASP HB2 5.00 1.00e+00
82 PHE HN 82 PHE HD1 2.70 1.00e+00 #
382 PHE HN 382 PHE HD1 2.70 1.00e+00
82 PHE QB 83 THR HN 4.10 1.00e+00 #
382 PHE QB 383 THR HN 4.10 1.00e+00
# THR-83
83 THR QG2 96 ALA QB 3.70 1.00e+00 # XSHEET
383 THR QG2 396 ALA QB 3.70 1.00e+00
83 THR QG2 96 ALA HA 3.80 1.00e+00 # XSHEET
383 THR QG2 396 ALA HA 3.80 1.00e+00
83 THR HA 96 ALA QB 3.80 1.00e+00 # XSHEET
383 THR HA 396 ALA QB 3.80 1.00e+00
83 THR QG2 94 VAL QQG 4.70 1.00e+00 # XSHEET
383 THR QG2 394 VAL QQG 4.70 1.00e+00
83 THR HB 94 VAL QQG 4.80 1.00e+00 # XSHEET
383 THR HB 394 VAL QQG 4.80 1.00e+00
83 THR HA 97 PRO HD2 5.00 1.00e+00 # XSHEET
383 THR HA 397 PRO HD2 5.00 1.00e+00
83 THR HA 97 PRO HD3 5.00 1.00e+00 # XSHEET
383 THR HA 397 PRO HD3 5.00 1.00e+00
# VAL-84
84 VAL QQG 95 VAL QG1 4.70 1.00e+00 # XSHEET
384 VAL QQG 395 VAL QG1 4.70 1.00e+00
84 VAL QQG 86 PHE QR 6.50 1.00e+00 #
384 VAL QQG 386 PHE QR 6.50 1.00e+00
# SER-85
85 SER HA 94 VAL QQG 4.20 1.00e+00 # XSHEET
385 SER HA 394 VAL QQG 4.20 1.00e+00
# PHE-86 {aromatics assigned; see 93mg2.win}
86 PHE HN 93 THR HB 5.00 1.00e+00 # XSHEET
386 PHE HN 393 THR HB 5.00 1.00e+00
# GLU-87
87 GLU QB 92 LYS HA 4.10 1.00e+00 #
387 GLU QB 392 LYS HA 4.10 1.00e+00
87 GLU QB 93 THR HN 5.80 1.00e+00 #
387 GLU QB 393 THR HN 5.80 1.00e+00
87 GLU QG 90 GLY HN 4.10 1.00e+00 #
387 GLU QG 390 GLY HN 4.10 1.00e+00
87 GLU QG 91 ARG HN 4.10 1.00e+00 #
387 GLU QG 391 ARG HN 4.10 1.00e+00
# TYR-88
# GLN-89
# GLY-90
# ARG-91
# LYS-92
# THR-93
93 THR QG2 94 VAL HN 3.20 1.00e+00 #
393 THR QG2 394 VAL HN 3.20 1.00e+00
93 THR QG2 86 PHE QR 5.50 1.00e+00 # XSHEET
393 THR QG2 386 PHE QR 5.50 1.00e+00
93 THR QG2 123 ALA QB 4.30 1.00e+00 # XSHEET
393 THR QG2 423 ALA QB 4.30 1.00e+00
93 THR QG2 123 ALA HA 3.80 1.00e+00 # XSHEET
393 THR QG2 423 ALA HA 3.80 1.00e+00
93 THR QG2 121 ILE QG2 4.30 1.00e+00 #
393 THR QG2 421 ILE QG2 4.30 1.00e+00
93 THR QG2 122 HIS HN 3.80 1.00e+00 # XSHEET
393 THR QG2 422 HIS HN 3.80 1.00e+00
# VAL-94
94 VAL QQG 122 HIS HN 4.80 1.00e+00 # XSHEET
394 VAL QQG 422 HIS HN 4.80 1.00e+00
94 VAL QQG 122 HIS HD2 6.50 1.00e+00 #
394 VAL QQG 422 HIS HD2 6.50 1.00e+00
94 VAL QQG 122 HIS HB2 6.50 1.00e+00 #
394 VAL QQG 422 HIS HB2 6.50 1.00e+00
94 VAL HN 122 HIS HB2 5.00 1.00e+00 #
394 VAL HN 422 HIS HB2 5.00 1.00e+00
94 VAL HN 121 ILE QG2 5.50 1.00e+00 #
394 VAL HN 421 ILE QG2 5.50 1.00e+00
94 VAL HB 122 HIS HN 5.00 1.00e+00 #
394 VAL HB 422 HIS HN 5.00 1.00e+00
# VAL-95
95 VAL HB 95 VAL HN 2.70 1.00e+00 # INTRARESIDUE
395 VAL HB 395 VAL HN 2.70 1.00e+00
95 VAL QG1 96 ALA HN 3.20 1.00e+00 # SEQUENTIAL
395 VAL QG1 396 ALA HN 3.20 1.00e+00
95 VAL QG2 95 ALA HN 3.20 1.00e+00 # INTRARESIDUE
395 VAL QG2 395 ALA HN 3.20 1.00e+00
95 VAL QG2 86 PHE QR 6.10 1.00e+00 # XSHEET
395 VAL QG2 386 PHE QR 6.10 1.00e+00
95 VAL QG1 116 PHE QR 7.80 1.00e+00 # XSHEET
395 VAL QG1 416 PHE QR 7.80 1.00e+00
95 VAL QG1 97 PRO HD3 5.50 1.00e+00 #
395 VAL QG1 397 PRO HD3 5.50 1.00e+00
95 VAL QG2 121 ILE QG2 3.70 1.00e+00 # XSHEET
395 VAL QG2 421 ILE QG2 3.70 1.00e+00
95 VAL QG2 121 ILE HG12 3.80 1.00e+00 # XSHEET
395 VAL QG2 421 ILE HG12 3.80 1.00e+00
95 VAL QG2 121 ILE HG13 3.80 1.00e+00 # XSHEET
395 VAL QG2 421 ILE HG13 3.80 1.00e+00
# ALA-96
96 ALA HA 97 PRO HD2 3.30 1.00e+00 # SEQUENTIAL
396 ALA HA 397 PRO HD2 3.30 1.00e+00
96 ALA HA 97 PRO HD3 3.30 1.00e+00 # SEQUENTIAL
396 ALA HA 397 PRO HD3 3.30 1.00e+00
96 ALA QB 122 HIS HD2 5.50 1.00e+00 #
396 ALA QB 422 HIS HD2 5.50 1.00e+00
96 ALA QB 120 ASN HA 5.50 1.00e+00 #
396 ALA QB 420 ASN HA 5.50 1.00e+00
96 ALA HN 122 HIS HD2 5.00 1.00e+00 #
396 ALA HN 422 HIS HD2 5.00 1.00e+00
# PRO-97
97 PRO HA 116 PHE QR 7.30 1.00e+00 #
397 PRO HA 416 PHE QR 7.30 1.00e+00
97 PRO HB3 116 PHE QR 7.30 1.00e+00 # XSHEET
397 PRO HB3 416 PHE QR 7.30 1.00e+00
97 PRO HG3 116 PHE QR 7.30 1.00e+00 # XSHEET
397 PRO HG3 416 PHE QR 7.30 1.00e+00
# ILE-98
98 ILE QG2 99 ASP HN 3.80 1.00e+00 #
398 ILE QG2 399 ASP HN 3.80 1.00e+00
98 ILE QG2 115 LEU QD1 6.00 1.00e+00 #
398 ILE QG2 415 LEU QD1 6.00 1.00e+00
# ASP-99
99 ASP HA 114 ALA QB 3.80 1.00e+00 # XSHEET
399 ASP HA 414 ALA QB 3.80 1.00e+00
99 ASP HB3 101 PHE HZ 5.00 1.00e+00
399 ASP HB3 401 PHE HZ 5.00 1.00e+00
# HIS-100
# PHE-101
101 PHE QR 109 VAL QG1 6.10 1.00e+00 # XSHEET
401 PHE QR 409 VAL QG1 6.10 1.00e+00
101 PHE HD1 112 MET QB 4.10 1.00e+00 # XSHEET
401 PHE HD1 412 MET QB 4.10 1.00e+00
101 PHE HD1 113 ARG HN 5.00 1.00e+00 #
401 PHE HD1 413 ARG HN 5.00 1.00e+00
# ARG-102
102 ARG HN 109 VAL QG1 3.80 1.00e+00 #
402 ARG HN 409 VAL QG1 3.80 1.00e+00
102 ARG HN 111 SER QB 5.80 1.00e+00 #
402 ARG HN 411 SER QB 5.80 1.00e+00
# PHE-103
103 PHE HE1 109 VAL QG2 7.30 1.00e+00 # XSHEET
403 PHE HE1 409 VAL QG2 7.30 1.00e+00
# ASN-104
# GLY-105
# ALA-106
# GLY-107
# LYS-108
# VAL-109
109 VAL HN 109 VAL QG2 3.20 1.00e+00 # INTRARESIDUE
409 VAL HN 409 VAL QG2 3.20 1.00e+00
109 VAL HN 109 VAL HB 2.70 1.00e+00 # INTRARESIDUE
409 VAL HN 409 VAL HB 2.70 1.00e+00
109 VAL HA 109 VAL QG1 3.20 1.00e+00 # INTRARESIDUE
409 VAL HA 409 VAL QG1 3.20 1.00e+00
109 VAL HA 109 VAL QG2 3.20 1.00e+00 # INTRARESIDUE
409 VAL HA 409 VAL QG2 3.20 1.00e+00
109 VAL QG1 111 SER HN 5.50 1.00e+00 # BULGE
409 VAL QG1 411 SER HN 5.50 1.00e+00
109 VAL QG1 112 MET QB 6.30 1.00e+00 # BULGE
409 VAL QG1 412 MET QB 6.30 1.00e+00
109 VAL QG1 112 MET QG 6.30 1.00e+00 # BULGE
409 VAL QG1 412 MET QG 6.30 1.00e+00
# VAL-110
110 VAL HN 109 VAL QG1 3.80 1.00e+00 # BULGE
410 VAL HN 409 VAL QG1 3.80 1.00e+00
# SER-111 {HB1,2 overlap with Ser-85}
# MET-112
# ALA-114
114 ALA QB 116 PHE QR 7.80 1.00e+00 #
414 ALA QB 416 PHE QR 7.80 1.00e+00
# LEU-115
115 LEU HA 115 LEU HG 3.30 1.00e+00 # ORIENTS SIDE-CHAIN
415 LEU HA 415 LEU HG 3.30 1.00e+00
# PHE-116
116 PHE QR 117 GLY HN 5.60 1.00e+00 # SEQUENTIAL SIDE-CHAIN
416 PHE QR 417 GLY HN 5.60 1.00e+00
#---LAST b-BULGE---------------------------------------------------
# GLY-117
117 GLY HA1 118 GLU HN 2.70 1.00e+00 # SEQUENTIAL
417 GLY HA1 418 GLU HN 2.70 1.00e+00
117 GLY HA2 118 GLU HN 2.70 1.00e+00 # SEQUENTIAL
417 GLY HA2 418 GLU HN 2.70 1.00e+00
117 GLY HA2 119 LYS HN 5.00 1.00e+00 # HA(i)-HN(i+2)
417 GLY HA2 419 LYS HN 5.00 1.00e+00
# GLU-118
118 GLU HA 120 ASN HN 5.00 1.00e+00 # HA(i)-HN(i+2)
418 GLU HA 420 ASN HN 5.00 1.00e+00
118 GLU HN 119 LYS HN 3.30 1.00e+00 # SEQUENTIAL
418 GLU HN 419 LYS HN 3.30 1.00e+00
118 GLU HA 121 ILE HN 5.00 1.00e+00 #
418 GLU HA 421 ILE HN 5.00 1.00e+00
118 GLU HA 121 ILE QD1 3.80 1.00e+00 #
418 GLU HA 421 ILE QD1 3.80 1.00e+00
# LYS-119
119 LYS HN 120 ASN HN 2.70 1.00e+00 # SEQUENTIAL
419 LYS HN 420 ASN HN 2.70 1.00e+00
119 LYS HA 121 ILE HN 5.00 1.00e+00 # HA(i)-HN(i+2)
419 LYS HA 421 ILE HN 5.00 1.00e+00
# ASN-120
120 ASN HN 121 ILE HN 2.70 1.00e+00 # SEQUENTIAL
420 ASN HN 421 ILE HN 2.70 1.00e+00
120 ASN HA 122 HIS HE1 5.00 1.00e+00 #
420 ASN HA 422 HIS HE1 5.00 1.00e+00
#----b-STRAND (final)----------------------------------------------------------
# ILE-121
121 ILE HN 121 ILE HB 2.70 1.00e+00 # INTRARESIDUE
421 ILE HN 421 ILE HB 2.70 1.00e+00
121 ILE HA 122 HIS HN 2.70 1.00e+00 # SEQUENTIAL
421 ILE HA 422 HIS HN 2.70 1.00e+00
121 ILE QG2 122 HIS HN 3.20 1.00e+00 # SEQUENTIAL
421 ILE QG2 422 HIS HN 3.20 1.00e+00
# 122-HIS
122 HIS HA 123 ALA HN 2.70 1.00e+00 # SEQUENTIAL
422 HIS HA 423 ALA HN 2.70 1.00e+00
# 123-ALA
123 ALA HA 124 GLY HN 2.70 1.00e+00 # SEQUENTIAL
423 ALA HA 424 GLY HN 2.70 1.00e+00
# 124-GLY
124 GLY HA1 125 ALA HN 2.70 1.00e+00 # SEQUENTIAL
424 GLY HA1 425 ALA HN 2.70 1.00e+00
124 GLY HA2 125 ALA HN 2.70 1.00e+00 # SEQUENTIAL
424 GLY HA2 425 ALA HN 2.70 1.00e+00
#------------------------------------------------------------
# INTERMOLECULAR NOEs
#------------------------------------------------------------
#VAL-40
40 VAL QG1 375 ALA QB 3.70 1.00e+00 # INTERMOLECULAR
340 VAL QG1 75 ALA QB 3.70 1.00e+00
40 VAL HB 374 VAL QG1 5.50 1.00e+00 # INTERMOLECULAR
340 VAL HB 74 VAL QG1 5.50 1.00e+00
40 VAL QG1 374 VAL QG1 4.30 1.00e+00 # INTERMOLECULAR
340 VAL QG1 74 VAL QG1 4.30 1.00e+00
#GLY-41
41 GLY HA1 375 ALA QB 5.50 1.00e+00 # INTERMOLECULAR
341 GLY HA1 75 ALA QB 5.50 1.00e+00
41 GLY HA2 375 ALA QB 5.50 1.00e+00 # INTERMOLECULAR
341 GLY HA2 75 ALA QB 5.50 1.00e+00
#ARG-72
72 ARG HN 398 ILE QD1 5.50 1.00e+00 # INTERMOLECULAR
372 ARG HN 98 ILE QD1 5.50 1.00e+00
#ALA-73
73 ALA HA 415 LEU QD2 5.50 1.00e+00 # INTERMOLECULAR
373 ALA HA 115 LEU QD2 5.50 1.00e+00
#VAL-74
74 VAL QG2 417 GLY HA1 5.50 1.00e+00 # INTERMOLECULAR
374 VAL QG2 117 GLY HA1 5.50 1.00e+00
74 VAL QG2 417 GLY HA2 5.50 1.00e+00 # INTERMOLECULAR
374 VAL QG2 117 GLY HA2 5.50 1.00e+00
74 VAL QG1 415 LEU QD2 6.00 1.00e+00 # INTERMOLECULAR
374 VAL QG1 115 LEU QD2 6.00 1.00e+00
74 VAL QG1 415 LEU HG 5.50 1.00e+00 # INTERMOLECULAR
374 VAL QG1 115 LEU HG 5.50 1.00e+00
74 VAL QG1 415 LEU HA 5.50 1.00e+00 # INTERMOLECULAR
374 VAL QG1 115 LEU HA 5.50 1.00e+00
74 VAL QG1 416 PHE HN 3.80 1.00e+00 # M-S
374 VAL QG1 116 PHE HN 3.80 1.00e+00
#ALA-78
78 ALA HA 415 LEU QD2 5.50 1.00e+00 # INTERMOLECULAR
378 ALA HA 115 LEU QD2 5.50 1.00e+00
#ALA-79
79 ALA QB 415 LEU QD1 6.00 1.00e+00 # INTERMOLECULAR
379 ALA QB 115 LEU QD1 6.00 1.00e+00
79 ALA QB 415 LEU QD2 6.00 1.00e+00 # INTERMOLECULAR
379 ALA QB 115 LEU QD2 6.00 1.00e+00
79 ALA QB 398 ILE QD1 6.00 1.00e+00 # INTERMOLECULAR
379 ALA QB 98 ILE QD1 6.00 1.00e+00
79 ALA HN 415 LEU QD2 5.50 1.00e+00 # INTERMOLECULAR
379 ALA HN 115 LEU QD2 5.50 1.00e+00
#PHE-80
80 PHE HA 398 ILE QD1 5.50 1.00e+00 # INTERMOLECULAR
380 PHE HA 98 ILE QD1 5.50 1.00e+00
#ALA-81
81 ALA QB 398 ILE QD1 6.00 1.00e+00 # INTERMOLECULAR
381 ALA QB 98 ILE QD1 6.00 1.00e+00
#ILE-98
98 ILE QD1 398 ILE QG2 6.00 1.00e+00 # INTERMOLECULAR
398 ILE QD1 98 ILE QG2 6.00 1.00e+00
#HIS-100
100 HIS HD2 415 LEU QD2 5.50 1.00e+00 # INTERMOLECULAR
400 HIS HD2 115 LEU QD2 5.50 1.00e+00
Contact the webmaster for help, if required. Monday, April 29, 2024 4:59:57 PM GMT (wattos1)