Ramachandran
Whatif.RAMCHK.valueList: -0.58 (+- 0.58)
CHK.RAMACHANDRAN_CHK.valueList: -0.56 (+- 0.59)
D1D2
CHK.D1D2_CHK.valueList: 0.29 (+- 0.19)
PHI
PHI : average: -74.6 cv: 0.004 || outliers: 3 (models [16, 12, 6])
PSI
PSI : average: -42.6 cv: 0.002 || outliers: 4 (models [18, 5, 4, 0])
CHI1
CHI1 : average: 187.8 cv: 0.003 || outliers: 5 (models [10, 8, 7, 6, 0])
OMEGA
OMEGA : average: 180.0 cv: 0.000 || outliers: 3 (models [19, 13, 8])
Distance Restraints
set1
| # | atom 1 | atom 2 | low | upp | act | viol | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|
| 212 | A VAL12 HA | A VAL12 MG1 | 0.0 | 5.4 | 2.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 213 | A VAL12 HA | A THR15 MG | 0.0 | 5.5 | 3.8+-0.6 | 0.0+-0.0 | 0.0 | 0 | |
| 214 | A VAL12 HA | A VAL12 HB | 0.0 | 5.5 | 3.0+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 216 | A VAL12 HA | A LEU16 H | 0.0 | 5.5 | 4.2+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 249 | A ALA10 HA | A VAL12 H | 0.0 | 5.5 | 4.2+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 306 | A VAL12 MG2 | A GLU13 H | 0.0 | 5.3 | 3.7+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 312 | A VAL12 HA | A VAL12 MG2 | 0.0 | 4.9 | 2.4+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 313 | A VAL12 HB | A VAL12 MG2 | 0.0 | 4.3 | 2.1+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 551 | A VAL12 H | A VAL12 MG1 | 0.0 | 4.5 | 3.7+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 925 | A VAL12 HA | A GLU14 H | 0.0 | 5.5 | 4.6+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 953 | A VAL12 HA | A THR15 H | 0.0 | 5.5 | 3.5+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 991 | A VAL12 MG1 | A GLU13 H | 0.0 | 5.5 | 3.7+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 997 | A VAL12 HA | A GLU13 H | 0.0 | 5.5 | 3.6+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 1027 | A VAL12 H | A GLU13 H | 0.0 | 5.5 | 2.5+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1028 | A ALA10 MB | A VAL12 H | 0.0 | 5.5 | 4.5+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1029 | A GLU11 HA | A VAL12 H | 0.0 | 5.5 | 3.6+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 1030 | A VAL12 H | A VAL12 MG2 | 0.0 | 5.5 | 2.1+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1033 | A GLU11 QG | A VAL12 H | 0.0 | 5.5 | 4.4+-0.6 | 0.0+-0.0 | 0.0 | 0 | |
| 1034 | A VAL12 H | A VAL12 HA | 0.0 | 5.5 | 2.9+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 1035 | A VAL12 H | A VAL12 HB | 0.0 | 5.4 | 2.5+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1036 | A GLU11 H | A VAL12 H | 0.0 | 5.5 | 2.8+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1038 | A VAL12 H | A GLU14 H | 0.0 | 5.5 | 4.1+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1244 | A ALA10 H | A VAL12 H | 0.0 | 5.5 | 4.2+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1401 | A VAL12 HA | A THR15 HB | 0.0 | 5.5 | 2.9+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 1423 | A VAL12 MG1 | A LEU16 H | 0.0 | 5.5 | 4.2+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 26 | A VAL12 MG2 | A GLU14 H | 0.0 | 5.5 | 5.4+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 11 | A VAL12 MG1 | A TYR94 QD | 0.0 | 5.4 | 5.1+-0.3 | 0.0+-0.0 | 0.2 | 0 |
Dihedral Restraints
dihed
| # | name | low | upp | act | cv | vAv | vSd | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|---|
| 54 | PHI | -87.4 | -52.0 | -74.6 | 0.0039 | 0.0 | 0.0 | 0.0 | 0 | |
| 64 | PSI | -52.8 | -27.1 | -42.6 | 0.0019 | 0.0 | 0.0 | 0.0 | 0 |