NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
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477342 |
2kw3   |
cing | 1-original | 2 | DYANA/DIANA | distance | hydrogen bond | simple |
#### BEGIN HELIX 1#### 29 THR OG1 32 GLN H 2.20 1.00E+00 # Helix Cap #29 THR OG1 32 GLN N 3.20 1.00E+00 29 THR O 33 ARG H 2.20 1.00E+00 29 THR O 33 ARG N 3.20 1.00E+00 30 LEU O 34 LEU H 2.20 1.00E+00 30 LEU O 34 LEU N 3.20 1.00E+00 31 LEU O 35 ARG H 2.20 1.00E+00 31 LEU O 35 ARG N 3.20 1.00E+00 32 GLN O 36 GLY H 2.20 1.00E+00 32 GLN O 36 GLY N 3.20 1.00E+00 34 LEU O 37 THR H 2.20 1.00E+00 # C-TERMINAL HELIX I CAP 34 LEU O 37 THR N 3.20 1.00E+00 #### Begin Helix 2 ##### 39 SER OG 42 VAL H 2.20 1.00E+00 # upper limit violations 39 SER O 43 GLN H 2.20 1.00E+00 39 SER O 43 GLN N 3.20 1.00E+00 40 LYS O 44 ASN H 2.20 1.00E+00 40 LYS O 44 ASN N 3.20 1.00E+00 41 ALA O 45 LYS H 2.20 1.00E+00 41 ALA O 45 LYS N 3.20 1.00E+00 42 VAL O 46 VAL H 2.20 1.00E+00 42 VAL O 46 VAL N 3.20 1.00E+00 43 GLN O 47 GLU H 2.20 1.00E+00 43 GLN O 47 GLU N 3.20 1.00E+00 44 ASN O 48 GLY H 2.20 1.00E+00 44 ASN O 48 GLY N 3.20 1.00E+00 45 LYS O 49 ILE H 2.20 1.00E+00 45 LYS O 49 ILE N 3.20 1.00E+00 46 VAL O 50 LEU H 2.20 1.00E+00 46 VAL O 50 LEU N 3.20 1.00E+00 47 GLU O 51 GLN H 2.20 1.00E+00 47 GLU O 51 GLN N 3.20 1.00E+00 48 GLY O 52 ASP H 2.20 1.00E+00 48 GLY O 52 ASP N 3.20 1.00E+00 49 ILE O 53 VAL H 2.20 1.00E+00 49 ILE O 53 VAL N 3.20 1.00E+00 50 LEU O 54 GLN H 2.20 1.00E+00 50 LEU O 54 GLN N 3.20 1.00E+00 51 GLN O 55 LYS H 2.20 1.00E+00 # Added back July 30th 51 GLN O 55 LYS N 3.20 1.00E+00 ######### End Helix 2 ############ ### HELIX 2 C-TERMINAL HELIX CAP##### 53 VAL O 56 PHE H 2.20 1.00E+00 53 VAL O 56 PHE N 3.20 1.00E+00 ### HELIX 3 N-TERMINAL HELIX CAP##### 57 SER OG 60 ASP H 2.20 1.00E+00 #57 SER OG 60 ASP N 3.20 1.00E+00 58 ASP O 62 LEU H 2.20 1.00E+00 58 ASP O 62 LEU N 3.20 1.00E+00 59 ASN O 63 TYR H 2.20 1.00E+00 59 ASN O 63 TYR N 3.20 1.00E+00 60 ASP O 64 LEU H 2.20 1.00E+00 60 ASP O 64 LEU N 3.20 1.00E+00 61 LYS O 65 TYR H 2.20 1.00E+00 61 LYS O 65 TYR N 3.20 1.00E+00 62 LEU O 66 LEU H 2.20 1.00E+00 62 LEU O 66 LEU N 3.20 1.00E+00 63 TYR O 67 GLN H 2.20 1.00E+00 63 TYR O 67 GLN N 3.20 1.00E+00 #64 LEU ### HELIX 3 C-TERMINAL HELIX CAP##### 65 TYR O 68 LEU H 2.20 1.00E+00 65 TYR O 68 LEU N 3.20 1.00E+00 #66 LEU #67 GLN #68 LEU #69 PRO #70 SER #71 GLY #72 PRO 73 THR O 77 LYS H 2.20 1.00E+00 73 THR O 77 LYS N 3.20 1.00E+00 74 THR O 78 SER H 2.20 1.00E+00 74 THR O 78 SER N 3.20 1.00E+00 75 GLY O 79 SER H 2.20 1.00E+00 75 GLY O 79 SER N 3.20 1.00E+00 #76 ASP O 80 GLU H 2.20 1.00E+00 #76 ASP O 80 GLU N 3.20 1.00E+00 #### BEGIN HELIX 1#### 129 THR OG1 132 GLN H 2.20 1.00E+00 #129 THR OG1 132 GLN N 3.20 1.00E+00 129 THR O 133 ARG H 2.20 1.00E+00 129 THR O 133 ARG N 3.20 1.00E+00 130 LEU O 134 LEU H 2.20 1.00E+00 130 LEU O 134 LEU N 3.20 1.00E+00 131 LEU O 135 ARG H 2.20 1.00E+00 131 LEU O 135 ARG N 3.20 1.00E+00 132 GLN O 136 GLY H 2.20 1.00E+00 132 GLN O 136 GLY N 3.20 1.00E+00 134 LEU O 137 THR H 2.20 1.00E+00 # C-TERMINAL HELIX I CAP 134 LEU O 137 THR N 3.20 1.00E+00 #### Begin Helix 2 ##### 139 SER OG 142 VAL H 2.20 1.00E+00 139 SER O 143 GLN H 2.20 1.00E+00 139 SER O 143 GLN N 3.20 1.00E+00 140 LYS O 144 ASN H 2.20 1.00E+00 140 LYS O 144 ASN N 3.20 1.00E+00 141 ALA O 145 LYS H 2.20 1.00E+00 141 ALA O 145 LYS N 3.20 1.00E+00 142 VAL O 146 VAL H 2.20 1.00E+00 142 VAL O 146 VAL N 3.20 1.00E+00 143 GLN O 147 GLU H 2.20 1.00E+00 143 GLN O 147 GLU N 3.20 1.00E+00 144 ASN O 148 GLY H 2.20 1.00E+00 144 ASN O 148 GLY N 3.20 1.00E+00 145 LYS O 149 ILE H 2.20 1.00E+00 145 LYS O 149 ILE N 3.20 1.00E+00 146 VAL O 150 LEU H 2.20 1.00E+00 146 VAL O 150 LEU N 3.20 1.00E+00 147 GLU O 151 GLN H 2.20 1.00E+00 147 GLU O 151 GLN N 3.20 1.00E+00 148 GLY O 152 ASP H 2.20 1.00E+00 148 GLY O 152 ASP N 3.20 1.00E+00 149 ILE O 153 VAL H 2.20 1.00E+00 149 ILE O 153 VAL N 3.20 1.00E+00 150 LEU O 154 GLN H 2.20 1.00E+00 150 LEU O 154 GLN N 3.20 1.00E+00 151 GLN O 155 LYS H 2.20 1.00E+00 # Added back July 30th 151 GLN O 155 LYS N 3.20 1.00E+00 ######### End Helix 2 ############ ### HELIX 2 C-TERMINAL HELIX CAP##### 153 VAL O 156 PHE H 2.20 1.00E+00 153 VAL O 156 PHE N 3.20 1.00E+00 ### HELIX 3 N-TERMINAL HELIX CAP##### 157 SER OG 160 ASP H 2.20 1.00E+00 #157 SER OG 160 ASP N 3.20 1.00E+00 158 ASP O 162 LEU H 2.20 1.00E+00 158 ASP O 162 LEU N 3.20 1.00E+00 159 ASN O 163 TYR H 2.20 1.00E+00 159 ASN O 163 TYR N 3.20 1.00E+00 160 ASP O 164 LEU H 2.20 1.00E+00 160 ASP O 164 LEU N 3.20 1.00E+00 161 LYS O 165 TYR H 2.20 1.00E+00 161 LYS O 165 TYR N 3.20 1.00E+00 162 LEU O 166 LEU H 2.20 1.00E+00 162 LEU O 166 LEU N 3.20 1.00E+00 163 TYR O 167 GLN H 2.20 1.00E+00 163 TYR O 167 GLN N 3.20 1.00E+00 #164 LEU ### HELIX 3 C-TERMINAL HELIX CAP##### 165 TYR O 168 LEU H 2.20 1.00E+00 165 TYR O 168 LEU N 3.20 1.00E+00 #166 LEU #167 GLN #168 LEU #169 PRO #170 SER #171 GLY #172 PRO 173 THR O 177 LYS H 2.20 1.00E+00 173 THR O 177 LYS N 3.20 1.00E+00 174 THR O 178 SER H 2.20 1.00E+00 174 THR O 178 SER N 3.20 1.00E+00 175 GLY O 179 SER H 2.20 1.00E+00 175 GLY O 179 SER N 3.20 1.00E+00 #176 ASP O 180 GLU H 2.20 1.00E+00 #176 ASP O 180 GLU N 3.20 1.00E+00 #--------------------------------------------- # Upper limit RFXAP H-bonds # Kholiswa Laird # File modified based on Summers .upl and .lol restraint file: # summers/Projects/NC-U5/cyana2.1/NC #--------------------------------------------- ## N--> O use 3.20 ## O--> N use 3.20 ## O--> H use 2.20 ## H--> O use 2.20 #========================================= # RFXAP Helix I (residues 214-224) #========================================= # not observed # Backbone O--> H -bonds #214 THR O 217 TYR H 2.20 1.00E+00 #215 GLY O 218 GLY H 2.20 1.00E+00 #216 SER O 219 ASP H 2.20 1.00E+00 #217 TYR O 220 ARG H 2.20 1.00E+00 #F217Y MUTATION #218 GLY O 221 PRO H 2.20 1.00E+00 #219 ASP O 222 ALA H 2.20 1.00E+00 #220 ARG O 223 ARG H 2.20 1.00E+00 #221 PRO O 224 PRO H 2.20 1.00E+00 #222 ALA O 225 THR H 2.20 1.00E+00 #223 ARG O 226 LEU H 2.20 1.00E+00 #224 PRO O 227 LEU H 2.20 1.00E+00 #========================================= # RFXAP Helix II (residues 226-239) #========================================= ## T225 is beginning of N-terminal Helix II Cap #### 225 THR OG1 228 GLU H 2.20 1.00E+00 # HELIX-II N-TERMINAL HELIX CAP # Backbone O--> H and O-->N bonds 225 THR O 229 GLN H 2.20 1.00E+00 225 THR O 229 GLN N 3.20 1.00E+00 226 LEU O 230 VAL H 2.20 1.00E+00 226 LEU O 230 VAL N 3.20 1.00E+00 227 LEU O 231 LEU H 2.20 1.00E+00 227 LEU O 231 LEU N 3.20 1.00E+00 228 GLU O 232 ASN H 2.20 1.00E+00 228 GLU O 232 ASN N 3.20 1.00E+00 229 GLN O 233 GLN H 2.20 1.00E+00 229 GLN O 233 GLN N 3.20 1.00E+00 230 VAL O 234 LYS H 2.20 1.00E+00 230 VAL O 234 LYS N 3.20 1.00E+00 231 LEU O 235 ARG H 2.20 1.00E+00 231 LEU O 235 ARG N 3.20 1.00E+00 232 ASN O 236 LEU H 2.20 1.00E+00 232 ASN O 236 LEU N 3.20 1.00E+00 233 GLN O 237 SER H 2.20 1.00E+00 233 GLN O 237 SER N 3.20 1.00E+00 234 LYS O 238 LEU H 2.20 1.00E+00 234 LYS O 238 LEU N 3.20 1.00E+00 # #235 ARG O 239 LEU H 2.20 1.00E+00 # Added August 19th #235 ARG O 239 LEU N 3.20 1.00E+00 # Added August 19th #236 LEU O 240 ARG H 2.20 1.00E+00 # Added August 19th #236 LEU O 240 ARG N 3.20 1.00E+00 # Added August 19th #237 SER HG 234 LYS O 2.20 1.00E+00 # C-TERMINAL HELIX-II CAP #238 #236 LEU O 239 LEU H 2.20 1.00E+00 # # Added August 19th; To assume end of C1 is 3-10 helix cap #236 LEU O 239 LEU N 3.20 1.00E+00 # #237 SER O 240 ARG H 2.20 1.00E+00 # C-TERMINAL HELIX-II CAP #237 SER O 240 ARG N 3.20 1.00E+00 # #=============================== # Helix III (residues 243-272) #=============================== # S241 N-term helix III cap 241 SER OG 244 VAL H 2.20 1.00E+00 # HELIX III N-TERMINAL HELIX CAP 241 SER O 245 VAL H 2.20 1.00E+00 241 SER O 245 VAL N 3.20 1.00E+00 242 PRO O 246 GLN H 2.20 1.00E+00 242 PRO O 246 GLN N 3.20 1.00E+00 243 GLU O 247 PHE H 2.20 1.00E+00 243 GLU O 247 PHE N 3.20 1.00E+00 244 VAL O 248 LEU H 2.20 1.00E+00 # PART OF HELIX-III CAP 244 VAL O 248 LEU N 3.20 1.00E+00 # PART OF HELIX CAP 245 VAL O 249 GLN H 2.20 1.00E+00 245 VAL O 249 GLN N 3.20 1.00E+00 246 GLN O 250 LYS H 2.20 1.00E+00 246 GLN O 250 LYS N 3.20 1.00E+00 247 PHE O 251 GLN H 2.20 1.00E+00 247 PHE O 251 GLN N 3.20 1.00E+00 248 LEU O 252 GLN H 2.20 1.00E+00 248 LEU O 252 GLN N 3.20 1.00E+00 249 GLN O 253 GLN H 2.20 1.00E+00 249 GLN O 253 GLN N 3.20 1.00E+00 250 LYS O 254 LEU H 2.20 1.00E+00 # can't find; assumed helical 250 LYS O 254 LEU N 3.20 1.00E+00 # can't find; assumed strong 251 GLN O 255 LEU H 2.20 1.00E+00 # can't find; assumed helical 251 GLN O 255 LEU N 3.20 1.00E+00 #can't find; assumed strong 252 GLN O 256 ASN H 2.20 1.00E+00 # can't find; assumed helical 252 GLN O 256 ASN N 3.20 1.00E+00 #can't find; assumed strong 253 GLN O 257 GLN H 2.20 1.00E+00 # can't find; assumed helical 253 GLN O 257 GLN N 3.20 1.00E+00 # can't find; assumed strong 254 LEU O 258 GLN H 2.20 1.00E+00 # can't find; assumed strong 254 LEU O 258 GLN N 3.20 1.00E+00 # can't find; assumed strong 255 LEU O 259 VAL H 2.20 1.00E+00 # can't find; assumed strong 255 LEU O 259 VAL N 3.20 1.00E+00 # can't find; assumed strong
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