Critiques
- whatif C12CHK value -1.089 < -0.900
- Procheck gf value -1.140 < -1.000
Ramachandran
Whatif.RAMCHK.valueList: -0.09 (+- 1.00)
CHK.RAMACHANDRAN_CHK.valueList: -0.40 (+- 1.17)
Janin
Whatif.C12CHK.valueList: -1.09 (+- 0.03)
CHK.CHI1CHI2_CHK.valueList: -1.21 (+- 0.00)
D1D2
CHK.D1D2_CHK.valueList: -0.62 (+- 0.08)
PHI
PHI : average: -103.1 cv: 0.030 || outliers: 7 (models [19, 13, 11, 8, 5, 4, 1])
PSI
PSI : average: 133.8 cv: 0.011 || outliers: 5 (models [18, 13, 8, 7, 4])
CHI1
CHI1 : average: 315.4 cv: 0.000 || outliers: 4 (models [19, 18, 15, 2])
CHI2
CHI2 : average: 98.2 cv: 0.016 || outliers: 4 (models [17, 15, 8, 6])
OMEGA
OMEGA : average: 180.0 cv: 0.000 || outliers: 6 (models [19, 14, 8, 5, 3, 0])
Distance Restraints
set1
| # | atom 1 | atom 2 | low | upp | act | viol | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|
| 1464 | A MET42 ME | A ILE99 MG | 0.0 | 4.4 | 4.1+-0.6 | 0.1+-0.3 | 0.9 | 3 |
|
| 1484 | A ILE86 MG | A ILE99 MD | 0.0 | 4.2 | 4.5+-0.6 | 0.4+-0.4 | 1.5 | 9 |
|
| 1559 | A GLU85 H | A ILE99 MD | 0.0 | 5.5 | 7.3+-0.2 | 1.8+-0.2 | 2.3 | 20 |
|
| 1557 | A ILE86 HB | A ILE99 MD | 0.0 | 5.3 | 6.9+-0.5 | 1.6+-0.5 | 2.4 | 20 |
|
| 143 | A ASN84 QB | A ILE99 MG | 0.0 | 5.5 | 4.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 168 | A ILE99 HA | A ILE99 HB | 0.0 | 5.5 | 3.0+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 300 | A VAL98 MG1 | A ILE99 H | 0.0 | 5.2 | 3.5+-0.7 | 0.0+-0.0 | 0.0 | 0 | |
| 388 | A ILE99 HB | A ILE99 MD | 0.0 | 4.7 | 2.1+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 391 | A ILE99 QG | A ILE99 MD | 0.0 | 4.8 | 1.9+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 393 | A ILE99 MG | A ILE99 MD | 0.0 | 3.9 | 3.0+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 395 | A ILE99 HA | A ILE99 MD | 0.0 | 5.5 | 3.6+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 397 | A ILE99 H | A ILE99 MD | 0.0 | 5.5 | 2.1+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 399 | A ASN84 QB | A ILE99 MG | 0.0 | 5.5 | 4.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 402 | A ILE99 HB | A ILE99 MG | 0.0 | 4.8 | 2.1+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 403 | A ILE99 HA | A ILE99 MG | 0.0 | 5.3 | 2.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 424 | A ILE99 MG | A GLN100 H | 0.0 | 5.4 | 2.4+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 425 | A ILE99 H | A ILE99 MG | 0.0 | 5.5 | 3.8+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 441 | A ILE99 HA | A ILE99 QG | 0.0 | 5.5 | 2.5+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 442 | A ILE99 QG | A ILE99 MD | 0.0 | 5.5 | 1.9+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 480 | A ILE99 H | A ILE99 QG | 0.0 | 5.5 | 2.8+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 530 | A MET42 ME | A ILE99 MD | 0.0 | 4.4 | 2.9+-0.7 | 0.0+-0.0 | 0.0 | 0 | |
| 554 | A GLY27 H | A ILE99 HB | 0.0 | 5.5 | 3.0+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 598 | A TYR50 QD | A ILE99 MD | 0.0 | 5.5 | 3.3+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 624 | A GLY27 QA | A ILE99 MD | 0.0 | 5.5 | 3.1+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 628 | A GLY27 H | A ILE99 MG | 0.0 | 5.5 | 4.2+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 629 | A ASN84 QD | A ILE99 MG | 0.0 | 5.5 | 4.1+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 634 | A ILE29 MD | A ILE99 MD | 0.0 | 5.5 | 2.3+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 658 | A GLY27 H | A ILE99 MD | 0.0 | 5.5 | 3.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 709 | A ASN84 QD | A ILE99 MG | 0.0 | 5.5 | 4.1+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 876 | A GLU85 H | A ILE99 MG | 0.0 | 5.5 | 4.0+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1252 | A ILE29 H | A ILE99 H | 0.0 | 5.5 | 4.6+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1274 | A ILE99 QG | A GLN100 H | 0.0 | 5.5 | 4.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1280 | A ILE99 HA | A GLN100 H | 0.0 | 5.5 | 2.2+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 1282 | A ILE99 HB | A GLN100 H | 0.0 | 5.5 | 4.1+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1283 | A ILE99 MD | A GLN100 H | 0.0 | 5.5 | 5.1+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1315 | A ILE28 HA | A ILE99 H | 0.0 | 5.5 | 3.4+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1316 | A ILE99 H | A ILE99 QG | 0.0 | 5.5 | 2.8+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 1317 | A ILE99 H | A ILE99 HB | 0.0 | 5.5 | 2.6+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1318 | A VAL98 HA | A ILE99 H | 0.0 | 5.5 | 2.2+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 1319 | A VAL98 HB | A ILE99 H | 0.0 | 5.5 | 3.9+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 1320 | A ILE99 H | A GLN100 H | 0.0 | 5.5 | 4.5+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1321 | A VAL98 H | A ILE99 H | 0.0 | 5.5 | 4.0+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1322 | A GLY27 H | A ILE99 H | 0.0 | 5.5 | 3.1+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 1409 | A THR46 MG | A ILE99 MD | 0.0 | 5.5 | 3.6+-0.4 | 0.0+-0.0 | 0.0 | 0 | |
| 1411 | A TYR50 QE | A ILE99 MD | 0.0 | 5.5 | 2.7+-0.4 | 0.0+-0.0 | 0.0 | 0 | |
| 1416 | A MET87 H | A ILE99 MD | 0.0 | 5.5 | 4.8+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 1429 | A ILE29 H | A ILE99 MD | 0.0 | 5.5 | 3.8+-0.3 | 0.0+-0.0 | 0.0 | 0 |
Dihedral Restraints
dihed
| # | name | low | upp | act | cv | vAv | vSd | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|---|
| 98 | PSI | 114.9 | 137.7 | 133.8 | 0.0110 | 1.4 | 1.8 | 4.7 | 5 |
|
| 47 | PHI | -131.6 | -67.5 | -103.1 | 0.0301 | 0.0 | 0.0 | 0.0 | 0 |