Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
473396 | 2k0x RC | 15658 | cing | 1-original | 2 | unknown | peak |
/home/chsee/structure_calcs/holo/run9/data/distances
number of intra sidechain ambiguous restraints
2
number of intra sidechain unambiguous restraints
20
total number of intra sidechain restraints
22
number of protein to sidechain ambiguous restraints
1
number of protein to sidechain unambiguous restraints
2
total number of protein to sidechain restraints
3
number of protein to sidechain restraints which were from H28/H30/H31
3
list of intra sidechain restraints
uASSI 1 42 H37A 42 H36A 2.800 1.000 1.000 peak 1 volume 0.55744E-02 ppm1 3.629 ppm2 8.132
uOR 1 42 H37B 42 H36A
uASSI 2 42 H32A 42 H36A 2.700 0.900 0.900 peak 2 volume 0.56490E-02 ppm1 4.118 ppm2 8.132
uASSI 3 42 H42B 42 H41A 2.700 0.900 0.900 peak 3 volume 0.65028E-02 ppm1 3.438 ppm2 8.317
uOR 3 42 H42A 42 H41A
uASSI 4 42 H38B 42 H41A 2.600 0.900 0.900 peak 4 volume 0.59589E-02 ppm1 2.597 ppm2 8.316
uOR 4 42 H38A 42 H41A
uASSI 5 42 H38A 42 H36A 3.200 1.300 1.300 peak 5 volume 0.28079E-02 ppm1 2.604 ppm2 8.132
uOR 5 42 H38B 42 H36A
uASSI 10 42 H28A 42 H31% 2.900 1.000 1.000 peak 10 volume 0.87017E-02 ppm1 3.486 ppm2 1.063
uASSI 11 42 H28A 42 H30% 2.600 0.800 0.800 peak 11 volume 0.15598E-01 ppm1 3.486 ppm2 0.951
uASSI 12 42 H28B 42 H30% 2.300 0.600 0.600 peak 12 volume 0.16752E-01 ppm1 3.894 ppm2 0.951
uASSI 13 42 H28B 42 H31% 2.900 1.100 1.100 peak 13 volume 0.53784E-02 ppm1 3.895 ppm2 1.063
uASSI 14 42 H32A 42 H31% 2.800 0.900 0.900 peak 14 volume 0.86717E-02 ppm1 4.116 ppm2 1.063
uASSI 15 42 H32A 42 H30% 2.800 1.000 1.000 peak 15 volume 0.79785E-02 ppm1 4.115 ppm2 0.951
uASSI 16 42 H36A 42 H31% 3.700 1.700 1.700 peak 16 volume 0.32869E-02 ppm1 8.139 ppm2 1.063
uASSI 17 42 H36A 42 H30% 3.000 1.100 1.100 peak 17 volume 0.47134E-02 ppm1 8.139 ppm2 0.951
uASSI 18 42 H41A 42 H30% 2.900 2.900 3.100 peak 18 volume 0.92566E-03 ppm1 8.320 ppm2 0.951
uASSI 21 42 H28A 42 H28B 1.900 0.500 0.500 peak 21 volume 0.62148E-02 ppm1 3.488 ppm2 3.889
uASSI 25 42 H28A 42 H32A 2.900 1.000 1.000 peak 25 volume 0.40625E-02 ppm1 3.488 ppm2 4.112
uASSI 26 42 H28B 42 H32A 3.300 1.400 1.400 peak 26 volume 0.30824E-02 ppm1 3.893 ppm2 4.114
uASSI 27 42 H28B 42 H36A 4.700 2.800 1.300 peak 27 volume 0.10349E-02 ppm1 3.891 ppm2 8.129
aASSI 2304 42 HB2 42 H31% 3.700 1.700 1.700 peak 2304 volume 0.74427E-03 ppm1 4.331 ppm2 1.066
uASSI 2321 42 HB1 42 H28A 4.300 2.400 1.700 peak 2321 volume 0.76387E-03 ppm1 4.199 ppm2 3.489
uASSI 2322 42 HB2 42 H28A 3.800 1.800 1.800 peak 2322 volume 0.39824E-03 ppm1 4.336 ppm2 3.494
aASSI 2324 42 HB2 42 H28B 4.400 2.400 1.600 peak 2324 volume 0.36110E-03 ppm1 4.339 ppm2 3.915
aOR 2325 42 HB1 42 H28B
list of protein to sidechain restraints
aASSIs 669 42 H28B 43 HD1% 3.600 3.600 2.400 peak 669 volume 0.69548E-03 ppm1 3.910 ppm2 1.006
uASSIs 670 42 H28A 43 HD1% 3.200 3.200 2.800 peak 670 volume 0.54911E-03 ppm1 3.498 ppm2 1.009
uASSIs 876 42 H28A 43 HN 3.300 3.300 2.700 peak 876 volume 0.42739E-03 ppm1 3.490 ppm2 7.793
aOR 2493 40 HD% 42 H31%
/home/chsee/structure_calcs/holo/run9/data/distances
Restraints to residue 42
aOR {141} 38 HD1% 42 HA
aOR {2493} 40 HD% 42 H31%
uASSI {1480} 41 HB1 42 HN 2.500 0.800 0.800 peak 1480 volume 0.51810E-02 ppm1 3.284 ppm2 8.921
uASSI {1481} 41 HB2 42 HN 3.100 1.200 1.200 peak 1481 volume 0.37483E-02 ppm1 2.850 ppm2 8.919
uASSI {1797} 41 HA 42 HN 2.300 0.700 0.700 peak 1797 volume 0.74596E-02 ppm1 4.749 ppm2 8.926
uASSIs {189} 41 HN 42 HN 4.400 2.400 1.600 peak 189 volume 0.59583E-03 ppm1 7.965 ppm2 8.920
aASSIs {669} 42 H28B 43 HD1% 3.600 3.600 2.400 peak 669 volume 0.69548E-03 ppm1 3.910 ppm2 1.006
aOR {186} 42 HN 43 HA
aOR {2304} 42 HB2 43 HD2%
aORs {880} 42 HA 43 HN
uASSI {2169} 42 HA 43 HN 3.400 1.500 1.500 peak 2169 volume 0.10722E-02 ppm1 4.265 ppm2 7.792
uASSI {2331} 42 HB1 43 HN 4.400 2.400 1.600 peak 2331 volume 0.67228E-03 ppm1 4.196 ppm2 7.800
uASSIs {670} 42 H28A 43 HD1% 3.200 3.200 2.800 peak 670 volume 0.54911E-03 ppm1 3.498 ppm2 1.009
uASSIs {871} 42 HN 43 HN 2.700 0.900 0.900 peak 871 volume 0.27201E-02 ppm1 8.922 ppm2 7.794
uASSIs {876} 42 H28A 43 HN 3.300 3.300 2.700 peak 876 volume 0.42739E-03 ppm1 3.490 ppm2 7.793
uASSIs {879} 42 HB2 43 HN 3.100 1.200 1.200 peak 879 volume 0.92772E-03 ppm1 4.339 ppm2 7.793
aASSI {182} 42 HN 44 HB% 4.800 2.800 1.200 peak 182 volume 0.38957E-03 ppm1 8.919 ppm2 1.505
aOR {2185} 42 HA 44 HB%
aASSI {2185} 42 HA 45 HB2 2.900 1.100 1.100 peak 2185 volume 0.27350E-02 ppm1 4.269 ppm2 1.501
aASSIs {1516} 42 HA 45 HB2 3.100 1.200 1.200 peak 1516 volume 0.24086E-02 ppm1 4.268 ppm2 1.496
aASSIs {540} 42 HA 45 HD2% 4.500 2.500 1.500 peak 540 volume 0.86864E-03 ppm1 4.279 ppm2 0.353
aASSIs {690} 42 HA 45 HN 3.000 1.100 1.100 peak 690 volume 0.29777E-02 ppm1 4.279 ppm2 8.444
aOR {182} 42 HN 45 HB2
aORs {1512} 42 HA 45 HB1
uASSI {181} 42 HN 45 HD2% 5.400 3.600 0.600 peak 181 volume 0.22489E-03 ppm1 8.916 ppm2 0.357
uASSI {2166} 42 HA 45 HN 3.300 1.400 1.400 peak 2166 volume 0.17890E-02 ppm1 4.271 ppm2 8.446
uASSI {2186} 42 HA 45 HG 2.800 1.000 1.000 peak 2186 volume 0.19542E-02 ppm1 4.270 ppm2 1.377
uASSI {2190} 42 HA 45 HB1 4.600 2.600 1.400 peak 2190 volume 0.87948E-03 ppm1 4.263 ppm2 1.636
uASSI {2198} 42 HA 45 HD2% 4.000 2.000 2.000 peak 2198 volume 0.17054E-02 ppm1 4.268 ppm2 0.356
uASSIs {537} 42 HA 45 HD1% 3.100 1.200 1.200 peak 537 volume 0.14143E-02 ppm1 4.266 ppm2 0.238
uASSI {2167} 42 HA 46 HN 4.100 2.100 1.900 peak 2167 volume 0.72815E-03 ppm1 4.268 ppm2 8.226
uASSIs {241} 42 HB1 65 HB% 4.000 2.000 2.000 peak 241 volume 0.67060E-03 ppm1 4.180 ppm2 1.392
aASSI {2325} 42 HB1 66 HA2 3.700 1.700 1.700 peak 2325 volume 0.38495E-03 ppm1 4.201 ppm2 3.910
aOR {2324} 42 HB2 66 HA2
uASSI {1} 42 H37A 42 H36A 2.800 1.000 1.000 peak 1 volume 0.55744E-02 ppm1 3.629 ppm2 8.132
uASSI {10} 42 H28A 42 H31% 2.900 1.000 1.000 peak 10 volume 0.87017E-02 ppm1 3.486 ppm2 1.063
uASSI {11} 42 H28A 42 H30% 2.600 0.800 0.800 peak 11 volume 0.15598E-01 ppm1 3.486 ppm2 0.951
uASSI {12} 42 H28B 42 H30% 2.300 0.600 0.600 peak 12 volume 0.16752E-01 ppm1 3.894 ppm2 0.951
uASSI {13} 42 H28B 42 H31% 2.900 1.100 1.100 peak 13 volume 0.53784E-02 ppm1 3.895 ppm2 1.063
uASSI {14} 42 H32A 42 H31% 2.800 0.900 0.900 peak 14 volume 0.86717E-02 ppm1 4.116 ppm2 1.063
uASSI {15} 42 H32A 42 H30% 2.800 1.000 1.000 peak 15 volume 0.79785E-02 ppm1 4.115 ppm2 0.951
uASSI {16} 42 H36A 42 H31% 3.700 1.700 1.700 peak 16 volume 0.32869E-02 ppm1 8.139 ppm2 1.063
uASSI {17} 42 H36A 42 H30% 3.000 1.100 1.100 peak 17 volume 0.47134E-02 ppm1 8.139 ppm2 0.951
uASSI {18} 42 H41A 42 H30% 2.900 2.900 3.100 peak 18 volume 0.92566E-03 ppm1 8.320 ppm2 0.951
uASSI {2} 42 H32A 42 H36A 2.700 0.900 0.900 peak 2 volume 0.56490E-02 ppm1 4.118 ppm2 8.132
uASSI {21} 42 H28A 42 H28B 1.900 0.500 0.500 peak 21 volume 0.62148E-02 ppm1 3.488 ppm2 3.889
uASSI {2160} 42 HA 42 HN 2.600 0.800 0.800 peak 2160 volume 0.42852E-02 ppm1 4.269 ppm2 8.922
uASSI {2321} 42 HB1 42 H28A 4.300 2.400 1.700 peak 2321 volume 0.76387E-03 ppm1 4.199 ppm2 3.489
uASSI {2322} 42 HB2 42 H28A 3.800 1.800 1.800 peak 2322 volume 0.39824E-03 ppm1 4.336 ppm2 3.494
uASSI {2341} 42 HB2 42 HN 2.500 0.800 0.800 peak 2341 volume 0.39283E-02 ppm1 4.338 ppm2 8.921
uASSI {2342} 42 HB1 42 HN 3.500 1.500 1.500 peak 2342 volume 0.29005E-02 ppm1 4.195 ppm2 8.919
uASSI {25} 42 H28A 42 H32A 2.900 1.000 1.000 peak 25 volume 0.40625E-02 ppm1 3.488 ppm2 4.112
uASSI {26} 42 H28B 42 H32A 3.300 1.400 1.400 peak 26 volume 0.30824E-02 ppm1 3.893 ppm2 4.114
uASSI {27} 42 H28B 42 H36A 4.700 2.800 1.300 peak 27 volume 0.10349E-02 ppm1 3.891 ppm2 8.129
uASSI {3} 42 H42B 42 H41A 2.700 0.900 0.900 peak 3 volume 0.65028E-02 ppm1 3.438 ppm2 8.317
uASSI {4} 42 H38B 42 H41A 2.600 0.900 0.900 peak 4 volume 0.59589E-02 ppm1 2.597 ppm2 8.316
uASSI {5} 42 H38A 42 H36A 3.200 1.300 1.300 peak 5 volume 0.28079E-02 ppm1 2.604 ppm2 8.132
uOR {3} 42 H42A 42 H41A
uOR {5} 42 H38B 42 H36A
uOR {4} 42 H38A 42 H41A
uOR {1} 42 H37B 42 H36A
aOR {2325} 42 HB1 42 H28B
aASSI {186} 42 HN 42 HA 2.600 0.900 0.900 peak 186 volume 0.41944E-02 ppm1 8.921 ppm2 4.272
aASSI {2304} 42 HB2 42 H31% 3.700 1.700 1.700 peak 2304 volume 0.74427E-03 ppm1 4.331 ppm2 1.066
aASSI {2324} 42 HB2 42 H28B 4.400 2.400 1.600 peak 2324 volume 0.36110E-03 ppm1 4.339 ppm2 3.915
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/holo/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!