Critiques
- whatif C12CHK value -1.220 < -1.200
Ramachandran
Whatif.RAMCHK.valueList: -0.57 (+- 0.49)
CHK.RAMACHANDRAN_CHK.valueList: -0.04 (+- 0.49)
Janin
Whatif.C12CHK.valueList: -1.22 (+- 0.28)
CHK.CHI1CHI2_CHK.valueList: -1.29 (+- 0.15)
D1D2
CHK.D1D2_CHK.valueList: 1.80 (+- 0.21)
PHI
PHI : average: -70.5 cv: 0.001 || outliers: 6 (models [18, 17, 10, 9, 8, 0])
PSI
PSI : average: -47.7 cv: 0.005 || outliers: 4 (models [16, 11, 8, 0])
CHI1
CHI1 : average: 288.8 cv: 0.043 || outliers: 6 (models [15, 13, 7, 5, 4, 0])
CHI2
CHI2 : average: 252.3 cv: 0.882 || outliers: 7 (models [13, 12, 10, 9, 8, 7, 6])
OMEGA
OMEGA : average: 180.0 cv: 0.000 || outliers: 5 (models [19, 15, 9, 8, 7])
Distance Restraints
set1
| # | atom 1 | atom 2 | low | upp | act | viol | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|
| 1489 | A LEU16 H | A LEU19 HG | 0.0 | 5.5 | 5.9+-1.3 | 0.8+-0.9 | 2.3 | 11 |
|
| 1517 | A ARG18 HE | A LEU19 H | 0.0 | 5.5 | 6.2+-0.8 | 0.9+-0.6 | 1.7 | 17 |
|
| 1535 | A LEU16 MD2 | A LEU19 H | 0.0 | 5.5 | 6.1+-0.2 | 0.6+-0.2 | 1.0 | 19 |
|
| 1544 | A LEU19 MD1 | A TYR94 QD | 0.0 | 5.5 | 10.4+-1.0 | 4.9+-1.0 | 6.3 | 20 |
|
| 36 | A LEU19 MD1 | A GLN22 QG | 0.0 | 5.5 | 3.8+-0.8 | 0.0+-0.0 | 0.0 | 0 | |
| 46 | A ARG18 QD | A LEU19 H | 0.0 | 5.5 | 4.7+-0.5 | 0.0+-0.0 | 0.0 | 0 | |
| 57 | A LEU19 QB | A GLN22 H | 0.0 | 5.5 | 4.4+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 76 | A LEU19 HA | A LEU19 QB | 0.0 | 5.5 | 2.4+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 81 | A LEU19 QB | A LEU19 HG | 0.0 | 5.3 | 2.2+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 224 | A THR15 HA | A LEU19 H | 0.0 | 5.5 | 4.1+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 267 | A LEU16 HA | A LEU19 QB | 0.0 | 5.5 | 2.7+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 270 | A LEU16 HA | A LEU19 MD1 | 0.0 | 5.3 | 4.1+-0.8 | 0.0+-0.0 | 0.0 | 0 | |
| 285 | A LEU19 HA | A LEU19 QB | 0.0 | 5.5 | 2.4+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 286 | A LEU19 HA | A LEU19 HG | 0.0 | 4.7 | 3.2+-0.4 | 0.0+-0.0 | 0.0 | 0 | |
| 341 | A LEU19 QB | A LEU19 MD1 | 0.0 | 4.9 | 2.3+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 343 | A LEU19 MD1 | A GLN20 H | 0.0 | 5.3 | 4.6+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 345 | A LEU19 QB | A LEU19 MD1 | 0.0 | 4.2 | 2.3+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 346 | A LEU19 HA | A LEU19 MD1 | 0.0 | 4.4 | 2.8+-0.9 | 0.0+-0.0 | 0.0 | 0 | |
| 455 | A LEU19 HA | A GLN22 QG | 0.0 | 5.5 | 2.1+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 612 | A LEU19 H | A LEU19 HG | 0.0 | 5.5 | 3.3+-0.9 | 0.0+-0.0 | 0.0 | 0 | |
| 706 | A LEU19 QB | A SER21 H | 0.0 | 5.5 | 4.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 774 | A LEU19 QB | A GLN20 H | 0.0 | 5.5 | 2.6+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 777 | A LEU19 HA | A GLN20 H | 0.0 | 5.5 | 3.6+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 778 | A LEU19 QB | A GLN20 H | 0.0 | 5.5 | 2.6+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 983 | A ARG18 H | A LEU19 H | 0.0 | 5.3 | 2.7+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1024 | A LEU19 H | A LEU19 HA | 0.0 | 5.5 | 2.8+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 1025 | A LEU19 H | A LEU19 MD1 | 0.0 | 5.4 | 3.3+-0.6 | 0.0+-0.0 | 0.0 | 0 | |
| 1026 | A LEU16 HA | A LEU19 H | 0.0 | 5.5 | 3.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1031 | A LEU19 H | A LEU19 QB | 0.0 | 5.1 | 2.3+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1032 | A LEU19 H | A SER21 H | 0.0 | 5.5 | 3.7+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1037 | A LEU19 H | A LEU19 QB | 0.0 | 5.5 | 2.3+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1040 | A ARG18 QG | A LEU19 H | 0.0 | 5.5 | 3.6+-0.6 | 0.0+-0.0 | 0.0 | 0 | |
| 1132 | A LEU19 HA | A GLN22 H | 0.0 | 5.5 | 3.2+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1354 | A LYS17 H | A LEU19 H | 0.0 | 5.5 | 4.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1389 | A LEU19 MD1 | A GLN22 QE | 0.0 | 5.5 | 2.6+-0.8 | 0.0+-0.0 | 0.0 | 0 | |
| 1393 | A LYS17 QB | A LEU19 H | 0.0 | 5.5 | 4.9+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 8 | A LEU16 MD1 | A LEU19 H | 0.0 | 5.5 | 5.2+-0.3 | 0.0+-0.1 | 0.2 | 0 |
Dihedral Restraints
dihed
| # | name | low | upp | act | cv | vAv | vSd | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|---|
| 21 | PHI | -79.0 | -49.2 | -70.5 | 0.0014 | 0.0 | 0.0 | 0.0 | 0 | |
| 22 | PSI | -65.2 | -6.3 | -47.7 | 0.0054 | 0.0 | 0.0 | 0.0 | 0 |