Critiques
- Procheck gf value -1.530 < -1.300
Ramachandran
CHK.RAMACHANDRAN_CHK.valueList: -1.43 (+- 0.12)
Janin
Whatif.C12CHK.valueList: -0.63 (+- 0.26)
CHK.CHI1CHI2_CHK.valueList: -1.16 (+- 0.22)
D1D2
CHK.D1D2_CHK.valueList: -0.54 (+- 0.54)
PHI
PHI : average: -124.3 cv: 0.057 || outliers: 3 (models [9, 5, 3])
PSI
PSI : average: -79.4 cv: 0.147 || outliers: 3 (models [14, 12, 11])
CHI1
CHI1 : average: 61.1 cv: 0.205 || outliers: 3 (models [9, 5, 3])
CHI2
CHI2 : average: 95.4 cv: 0.774 || outliers: 8 (models [18, 17, 15, 8, 5, 4, 2, 1])
OMEGA
OMEGA : average: 180.0 cv: 0.000 || outliers: 5 (models [17, 16, 15, 11, 1])
Distance Restraints
set1
| # | atom 1 | atom 2 | low | upp | act | viol | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|
| 1503 | A ARG80 HE | A THR103 H | 0.0 | 5.5 | 6.7+-1.7 | 1.5+-1.2 | 3.5 | 15 |
|
| 1562 | A GLN100 QE | A THR103 H | 0.0 | 5.5 | 7.1+-0.2 | 1.6+-0.2 | 1.9 | 20 |
|
| 1563 | A GLN100 QE | A THR103 H | 0.0 | 5.5 | 7.1+-0.2 | 1.6+-0.2 | 1.9 | 20 |
|
| 1447 | A ASN101 QB | A THR103 H | 0.0 | 5.5 | 5.6+-0.1 | 0.1+-0.1 | 0.4 | 1 |
|
| 39 | A PRO102 QG | A THR103 H | 0.0 | 5.5 | 4.5+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 173 | A THR103 HA | A THR103 MG | 0.0 | 4.5 | 2.5+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 189 | A THR103 H | A THR103 HA | 0.0 | 5.0 | 2.9+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 201 | A THR103 HB | A GLU104 H | 0.0 | 5.5 | 3.0+-0.7 | 0.0+-0.0 | 0.0 | 0 | |
| 202 | A THR103 H | A THR103 HB | 0.0 | 5.5 | 3.7+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 203 | A THR103 HB | A THR103 MG | 0.0 | 4.6 | 2.2+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 759 | A PRO102 QB | A THR103 H | 0.0 | 5.4 | 2.8+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 760 | A THR103 H | A THR103 MG | 0.0 | 5.1 | 2.7+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 761 | A PRO102 HA | A THR103 H | 0.0 | 4.2 | 2.4+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 762 | A PRO102 QB | A THR103 H | 0.0 | 5.5 | 2.8+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1305 | A THR103 HA | A GLU104 H | 0.0 | 4.3 | 3.5+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1306 | A THR103 H | A GLU104 H | 0.0 | 4.9 | 2.8+-0.7 | 0.0+-0.0 | 0.0 | 0 | |
| 1307 | A THR103 MG | A GLU104 H | 0.0 | 5.5 | 3.4+-0.7 | 0.0+-0.0 | 0.0 | 0 | |
| 1352 | A GLN100 QE | A THR103 MG | 0.0 | 5.5 | 4.1+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1367 | A GLN100 QE | A THR103 MG | 0.0 | 5.5 | 4.1+-0.1 | 0.0+-0.0 | 0.0 | 0 |
Dihedral Restraints
dihed
| # | name | low | upp | act | cv | vAv | vSd | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|---|
| 84 | PHI | -124.2 | -44.7 | -124.3 | 0.0572 | 7.0 | 16.9 | 49.8 | 3 |
|
| 129 | PSI | 90.9 | 162.1 | -79.4 | 0.1471 | 109.1 | 20.4 | 141.5 | 20 |
|