Ramachandran
Whatif.RAMCHK.valueList: -0.61 (+- 0.23)
CHK.RAMACHANDRAN_CHK.valueList: -1.09 (+- 0.11)
Janin
Whatif.C12CHK.valueList: -0.76 (+- 0.30)
CHK.CHI1CHI2_CHK.valueList: -1.10 (+- 0.13)
D1D2
CHK.D1D2_CHK.valueList: 0.94 (+- 0.19)
PHI
PHI : average: -70.9 cv: 0.001 || outliers: 4 (models [18, 11, 8, 4])
PSI
PSI : average: -28.9 cv: 0.001 || outliers: 5 (models [18, 11, 8, 7, 6])
CHI1
CHI1 : average: 274.3 cv: 0.088 || outliers: 4 (models [8, 4, 3, 2])
CHI2
CHI2 : average: 106.0 cv: 0.418 || outliers: 4 (models [17, 16, 4, 3])
OMEGA
OMEGA : average: 180.0 cv: 0.000 || outliers: 4 (models [15, 10, 1, 0])
Distance Restraints
set1
| # | atom 1 | atom 2 | low | upp | act | viol | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|
| 1495 | A THR15 HA | A ARG18 HE | 0.0 | 5.5 | 5.6+-1.5 | 0.6+-0.6 | 1.6 | 12 |
|
| 1496 | A THR15 MG | A ARG18 HE | 0.0 | 5.5 | 5.9+-1.4 | 0.8+-0.7 | 2.4 | 13 |
|
| 42 | A THR15 HA | A LYS17 QB | 0.0 | 5.5 | 4.9+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 194 | A THR15 HA | A THR15 MG | 0.0 | 5.5 | 2.6+-0.2 | 0.0+-0.0 | 0.0 | 0 | |
| 196 | A THR15 HA | A ARG18 QG | 0.0 | 5.5 | 4.2+-0.5 | 0.0+-0.0 | 0.0 | 0 | |
| 197 | A THR15 HA | A LEU16 H | 0.0 | 5.5 | 3.5+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 198 | A THR15 HA | A ARG18 QG | 0.0 | 5.5 | 4.2+-0.5 | 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 | |
| 224 | A THR15 HA | A LEU19 H | 0.0 | 5.5 | 4.1+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 445 | A THR15 HA | A ARG18 QB | 0.0 | 5.5 | 2.5+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 514 | A THR15 HA | A THR15 HB | 0.0 | 5.5 | 3.0+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 515 | A THR15 H | A THR15 MG | 0.0 | 5.0 | 3.5+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 516 | A THR15 MG | A LEU16 H | 0.0 | 4.7 | 3.5+-0.5 | 0.0+-0.0 | 0.0 | 0 | |
| 926 | A THR15 H | A LEU16 H | 0.0 | 5.5 | 2.5+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 932 | A GLU14 QG | A THR15 H | 0.0 | 5.5 | 4.3+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 948 | A THR15 H | A THR15 HA | 0.0 | 5.5 | 2.8+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 949 | A THR15 H | A THR15 HB | 0.0 | 5.5 | 2.2+-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 | |
| 954 | A GLU14 H | A THR15 H | 0.0 | 5.3 | 2.8+-0.0 | 0.0+-0.0 | 0.0 | 0 | |
| 980 | A THR15 MG | A ARG18 H | 0.0 | 5.5 | 4.4+-0.3 | 0.0+-0.0 | 0.0 | 0 | |
| 988 | A THR15 HA | A ARG18 H | 0.0 | 5.5 | 3.2+-0.1 | 0.0+-0.0 | 0.0 | 0 | |
| 1117 | A THR15 HB | A LEU16 H | 0.0 | 5.5 | 3.2+-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 |
Dihedral Restraints
dihed
| # | name | low | upp | act | cv | vAv | vSd | max | c3 | Critique |
|---|---|---|---|---|---|---|---|---|---|---|
| 102 | PSI | -52.2 | -30.6 | -28.9 | 0.0014 | 2.3 | 2.3 | 8.0 | 7 |
|
| 19 | PHI | -93.2 | -50.5 | -70.9 | 0.0011 | 0.0 | 0.0 | 0.0 | 0 |