| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.7 | Low | 65.6 | Low | 241 Ų | 241 | 121.9 Ų | 121.9 | 100% | 1.187 | 68% | 0.678 | S | S | * | * | 0 | 113.7 | 0 | -72.8 | -173.5 | -162.7 | 0 | 0 | 106.3 | |||||
| 2 | E | 51.3 | Low | 67.1 | Low | 205 Ų | 205 | 121.1 Ų | 121.1 | 96% | 0.958 | 67% | 0.67 | S | S | * | * | trans | 175.2 | 95.7 | 171.4 | -100.4 | 163.1 | -136.9 | 0 | 0 | 102.4 | ||||
| 3 | G | 53.8 | Low | 68.3 | Low | 55 Ų | 55 | 125.3 Ų | 125.3 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | cis | 118.6 | 95.1 | 36.9 | 0 | 0 | 0 | 0 | 0 | 104.6 | V5 | G3-V5 VanDerWaalsContact O-CG2 3.3Å; G3-V5 WeakPolarHBondContact O-CG2 3.3Å; G3-V5 PolarHBondContact O-N 2.91Å | ||
| 4 | N | 58.7 | Low | 69.2 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 70% | 0.695 | 65% | 0.648 | S | S | * | * | trans | -68.7 | 61.6 | -174.8 | -67.7 | -26.2 | 0 | 0 | 0 | 112.1 | C6 S7 I8 | N4-C6 VanDerWaalsContact C-N 3.32Å; N4-C6 PolarHBondContact O-N 3.45Å; N4-S7 PolarHBondContact O-N 3.4Å; N4-S7 VanDerWaalsContact O-N 3.1Å; N4-I8 PolarHBondContact O-N 3.29Å | ||
| 5 | V | 59.1 | Low | 70 | Confident | 103 Ų | 103 | 115.2 Ų | 115.2 | 62% | 0.624 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.7 | -33.4 | -174.7 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | G3 S7 | G3-V5 VanDerWaalsContact O-CG2 3.3Å; G3-V5 WeakPolarHBondContact O-CG2 3.3Å; G3-V5 PolarHBondContact O-N 2.91Å; V5-S7 VanDerWaalsContact C-N 3.3Å; V5-S7 PolarHBondContact O-N 3.46Å |
| 6 | C | 59.3 | Low | 70.6 | Confident | 107 Ų | 107 | 114.1 Ų | 114.1 | 72% | 0.723 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.6 | -15.5 | 173.6 | -74.2 | 0 | 0 | 0 | 0 | 114 | N4 V10 | N4-C6 VanDerWaalsContact C-N 3.32Å; N4-C6 PolarHBondContact O-N 3.45Å; C6-V10 WeakPolarHBondContact O-CG2 3.44Å |
| 7 | S | 64.1 | Low | 71.1 | Confident | 55 Ų | 55 | 113.6 Ų | 113.6 | 39% | 0.385 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -84.1 | -40.4 | -178.5 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | N4 V5 V10 L11 | N4-S7 PolarHBondContact O-N 3.4Å; N4-S7 VanDerWaalsContact O-N 3.1Å; V5-S7 VanDerWaalsContact C-N 3.3Å; V5-S7 PolarHBondContact O-N 3.46Å; S7-V10 PolarHBondContact O-N 3.09Å; S7-L11 WeakPolarHBondContact O-CB 3.49Å; S7-L11 WeakPolarHBondContact O-CD1 3.49Å; S7-L11 WeakPolarHBondContact O-CG 3.34Å; S7-L11 PolarHBondContact O-N 2.81Å |
| 8 | I | 75.5 | Confident | 71.3 | Confident | 107 Ų | 107 | 112.8 Ų | 112.8 | 55% | 0.549 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.5 | -42.7 | -177.7 | -74.8 | 169.2 | 0 | 0 | 0 | 111.7 | N4 V10 L11 L12 | N4-I8 PolarHBondContact O-N 3.29Å; I8-V10 VanDerWaalsContact C-N 3.34Å; I8-V10 PolarHBondContact O-N 3.36Å; I8-L11 PolarHBondContact O-N 3.04Å; I8-L12 HydrophobicContact CG2-CD1 3.77Å; I8-L12 HydrophobicContact CG2-CG 4.4Å; I8-L12 WeakPolarHBondContact O-CB 3.31Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 3.25Å |
| 9 | Q | 79.5 | Confident | 71.1 | Confident | 136 Ų | 136 | 112.7 Ų | 112.7 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.4 | -39.3 | 177.5 | -75.5 | 175.2 | -10.6 | 0 | 0 | 112.2 | L12 W13 | Q9-L12 PolarHBondContact O-N 3.16Å; Q9-W13 WeakPolarHBondContact O-CB 3.44Å; Q9-W13 PolarHBondContact O-N 3.1Å |
| 10 | V | 82.6 | Confident | 70.8 | Confident | 95 Ų | 95 | 112.6 Ų | 112.6 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.7 | -40.5 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | C6 S7 I8 W13 A14 | C6-V10 WeakPolarHBondContact O-CG2 3.44Å; S7-V10 PolarHBondContact O-N 3.09Å; I8-V10 VanDerWaalsContact C-N 3.34Å; I8-V10 PolarHBondContact O-N 3.36Å; V10-W13 PolarHBondContact O-N 2.95Å; V10-A14 VanDerWaalsContact O-CB 3.27Å; V10-A14 WeakPolarHBondContact O-CB 3.37Å; V10-A14 PolarHBondContact O-N 3.48Å |
| 11 | L | 84.2 | Confident | 70.3 | Confident | 107 Ų | 107 | 112.7 Ų | 112.7 | 56% | 0.56 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67 | -39.2 | 176.5 | -74.1 | 165.8 | 0 | 0 | 0 | 112.2 | S7 I8 A14 A15 | S7-L11 WeakPolarHBondContact O-CB 3.49Å; S7-L11 WeakPolarHBondContact O-CD1 3.49Å; S7-L11 WeakPolarHBondContact O-CG 3.34Å; S7-L11 PolarHBondContact O-N 2.81Å; I8-L11 PolarHBondContact O-N 3.04Å; L11-A14 PolarHBondContact O-N 2.94Å; L11-A15 VanDerWaalsContact O-CB 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.37Å |
| 12 | L | 83.9 | Confident | 70.4 | Confident | 112 Ų | 112 | 103 Ų | 103 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -43.8 | 174.3 | -78.5 | 164.9 | 0 | 0 | 0 | 111.5 | I8 Q9 A14 A15 E16 | I8-L12 HydrophobicContact CG2-CD1 3.77Å; I8-L12 HydrophobicContact CG2-CG 4.4Å; I8-L12 WeakPolarHBondContact O-CB 3.31Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 3.25Å; Q9-L12 PolarHBondContact O-N 3.16Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A15 PolarHBondContact O-N 2.92Å; L12-E16 WeakPolarHBondContact O-CB 3.29Å; L12-E16 PolarHBondContact O-N 3.29Å |
| 13 | W | 82.1 | Confident | 70.7 | Confident | 176 Ų | 176 | 100.1 Ų | 100.1 | 67% | 0.667 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 176.2 | -165.8 | 70.1 | 0 | 0 | 0 | 112 | Q9 V10 F17 | Q9-W13 WeakPolarHBondContact O-CB 3.44Å; Q9-W13 PolarHBondContact O-N 3.1Å; V10-W13 PolarHBondContact O-N 2.95Å; W13-F17 VanDerWaalsContact O-CB 3.3Å; W13-F17 WeakPolarHBondContact O-CB 3.31Å; W13-F17 PolarHBondContact O-N 2.87Å |
| 14 | A | 81.4 | Confident | 70.7 | Confident | 43 Ų | 43 | 102.5 Ų | 102.5 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V10 L11 L12 F17 V18 | V10-A14 VanDerWaalsContact O-CB 3.27Å; V10-A14 WeakPolarHBondContact O-CB 3.37Å; V10-A14 PolarHBondContact O-N 3.48Å; L11-A14 PolarHBondContact O-N 2.94Å; L12-A14 VanDerWaalsContact C-N 3.35Å; A14-F17 PolarHBondContact O-N 2.75Å; A14-V18 WeakPolarHBondContact O-CB 3.43Å; A14-V18 VanDerWaalsContact O-CG2 3.29Å; A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 3.44Å |
| 15 | A | 81.3 | Confident | 70.5 | Confident | 56 Ų | 56 | 100.4 Ų | 100.4 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L11 L12 F17 V18 E19 | L11-A15 VanDerWaalsContact O-CB 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.37Å; L12-A15 PolarHBondContact O-N 2.92Å; A15-F17 VanDerWaalsContact C-N 3.3Å; A15-F17 PolarHBondContact O-N 3.45Å; A15-V18 PolarHBondContact O-N 3.37Å; A15-E19 WeakPolarHBondContact O-CB 3.49Å; A15-E19 PolarHBondContact O-N 2.98Å |
| 16 | E | 79.9 | Confident | 70.2 | Confident | 98 Ų | 98 | 103.3 Ų | 103.3 | 46% | 0.458 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -38 | 175.6 | -162 | -164.7 | 165.8 | 0 | 0 | 111.5 | L12 E19 R20 | L12-E16 WeakPolarHBondContact O-CB 3.29Å; L12-E16 PolarHBondContact O-N 3.29Å; E16-E19 PolarHBondContact O-N 3.05Å; E16-R20 VanDerWaalsContact O-CB 3.26Å; E16-R20 WeakPolarHBondContact O-CB 3.36Å; E16-R20 PolarHBondContact O-N 3.26Å; E16-R20 IonicContact OE1-CZ 3.98Å; E16-R20 IonicContact OE1-NH2 2.8Å; E16-R20 PolarHBondContact OE1-NH2 3.45Å |
| 17 | F | 78.9 | Confident | 69.6 | Low | 106 Ų | 106 | 105 Ų | 105 | 47% | 0.465 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 175 | -176.7 | -94.2 | 0 | 0 | 0 | 112.5 | W13 A14 A15 K21 | W13-F17 VanDerWaalsContact O-CB 3.3Å; W13-F17 WeakPolarHBondContact O-CB 3.31Å; W13-F17 PolarHBondContact O-N 2.87Å; A14-F17 PolarHBondContact O-N 2.75Å; A15-F17 VanDerWaalsContact C-N 3.3Å; A15-F17 PolarHBondContact O-N 3.45Å; F17-K21 HydrophobicContact CE1-CG 4.19Å; F17-K21 HydrophobicContact CZ-CG 4.38Å; F17-K21 WeakPolarHBondContact O-CB 3.47Å; F17-K21 PolarHBondContact O-N 2.93Å |
| 18 | V | 74.1 | Confident | 69.4 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.9 | -38 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | A14 A15 K21 G22 | A14-V18 WeakPolarHBondContact O-CB 3.43Å; A14-V18 VanDerWaalsContact O-CG2 3.29Å; A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 3.44Å; A15-V18 PolarHBondContact O-N 3.37Å; V18-K21 CarbonylContact O-C 3.5Å; V18-K21 PolarHBondContact O-N 3.3Å; V18-G22 PolarHBondContact O-N 3.46Å |
| 19 | E | 68.4 | Low | 68.3 | Low | 112 Ų | 112 | 111.1 Ų | 111.1 | 52% | 0.523 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71 | -36.9 | 178.3 | -156.6 | -171.7 | -130.4 | 0 | 0 | 111.8 | A15 E16 G22 R23 | A15-E19 WeakPolarHBondContact O-CB 3.49Å; A15-E19 PolarHBondContact O-N 2.98Å; E16-E19 PolarHBondContact O-N 3.05Å; E19-G22 PolarHBondContact O-N 3.39Å; E19-R23 WeakPolarHBondContact O-CG 3.3Å; E19-R23 PolarHBondContact O-N 3.41Å; E19-R23 IonicContact OE2-CZ 3.83Å; E19-R23 IonicContact OE2-NH2 2.82Å; E19-R23 PolarHBondContact OE2-NH2 3.14Å |
| 20 | R | 64.6 | Low | 66.9 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 41% | 0.411 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.1 | -43.9 | 169.7 | -169.7 | -178.8 | -63.8 | 112.6 | 0.8 | 111.1 | E16 E24 | E16-R20 VanDerWaalsContact O-CB 3.26Å; E16-R20 WeakPolarHBondContact O-CB 3.36Å; E16-R20 PolarHBondContact O-N 3.26Å; E16-R20 IonicContact OE1-CZ 3.98Å; E16-R20 IonicContact OE1-NH2 2.8Å; E16-R20 PolarHBondContact OE1-NH2 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.44Å; R20-E24 PolarHBondContact O-N 3.44Å |
| 21 | K | 60.5 | Low | 65.7 | Low | 116 Ų | 116 | 110 Ų | 110 | 50% | 0.504 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.7 | -31.7 | 175.4 | -88.5 | -76.3 | 165.2 | -139.4 | 0 | 113.9 | F17 V18 E24 A25 | F17-K21 HydrophobicContact CE1-CG 4.19Å; F17-K21 HydrophobicContact CZ-CG 4.38Å; F17-K21 WeakPolarHBondContact O-CB 3.47Å; F17-K21 PolarHBondContact O-N 2.93Å; V18-K21 CarbonylContact O-C 3.5Å; V18-K21 PolarHBondContact O-N 3.3Å; K21-E24 IonicContact NZ-OE2 3.5Å; K21-E24 PolarHBondContact NZ-OE2 3Å; K21-A25 PolarHBondContact O-N 3.48Å |
| 22 | G | 54.9 | Low | 64 | Low | 38 Ų | 38 | 110.7 Ų | 110.7 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.8 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V18 E19 E24 A25 | V18-G22 PolarHBondContact O-N 3.46Å; E19-G22 PolarHBondContact O-N 3.39Å; G22-E24 VanDerWaalsContact C-N 3.34Å; G22-E24 PolarHBondContact O-N 3.23Å; G22-A25 PolarHBondContact O-N 3.07Å |
| 23 | R | 58.5 | Low | 62.5 | Low | 144 Ų | 144 | 110.5 Ų | 110.5 | 54% | 0.543 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69 | -29.6 | 175.3 | -72.2 | -172.9 | -97.3 | 142.1 | -10 | 113 | E19 A25 E26 H27 | E19-R23 WeakPolarHBondContact O-CG 3.3Å; E19-R23 PolarHBondContact O-N 3.41Å; E19-R23 IonicContact OE2-CZ 3.83Å; E19-R23 IonicContact OE2-NH2 2.82Å; E19-R23 PolarHBondContact OE2-NH2 3.14Å; R23-A25 VanDerWaalsContact C-N 3.31Å; R23-A25 PolarHBondContact O-N 3.38Å; R23-E26 PolarHBondContact O-N 2.92Å; R23-H27 PolarHBondContact O-CD2 2.92Å; R23-H27 PolarHBondContact O-N 3.2Å |
| 24 | E | 53.1 | Low | 60.9 | Low | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.1 | -23.6 | 172 | -77.3 | 175.4 | -169.7 | 0 | 0 | 113.9 | R20 K21 G22 E26 | R20-E24 WeakPolarHBondContact O-CG 3.44Å; R20-E24 PolarHBondContact O-N 3.44Å; K21-E24 IonicContact NZ-OE2 3.5Å; K21-E24 PolarHBondContact NZ-OE2 3Å; G22-E24 VanDerWaalsContact C-N 3.34Å; G22-E24 PolarHBondContact O-N 3.23Å; E24-E26 VanDerWaalsContact C-N 3.31Å |
| 25 | A | 55.5 | Low | 59.3 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.2 | -16.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K21 G22 R23 | K21-A25 PolarHBondContact O-N 3.48Å; G22-A25 PolarHBondContact O-N 3.07Å; R23-A25 VanDerWaalsContact C-N 3.31Å; R23-A25 PolarHBondContact O-N 3.38Å |
| 26 | E | 52.1 | Low | 57.7 | Low | 164 Ų | 164 | 116.8 Ų | 116.8 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -108.7 | -18.2 | -179.9 | -61.4 | -172.3 | 177.3 | 0 | 0 | 113.3 | R23 E24 | R23-E26 PolarHBondContact O-N 2.92Å; E24-E26 VanDerWaalsContact C-N 3.31Å |
| 27 | H | 46.6 | Very low | 56.2 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 65% | 0.653 | 67% | 0.669 | S | S | * | * | trans | -112.2 | 71.8 | 179.2 | -64.7 | -59 | 0 | 0 | 0 | 112.5 | R23 Y29 | R23-H27 PolarHBondContact O-CD2 2.92Å; R23-H27 PolarHBondContact O-N 3.2Å; H27-Y29 PolarHBondContact O-N 3.01Å; H27-Y29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | G | 59.2 | Low | 54.2 | Low | 64 Ų | 64 | 117 Ų | 117 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | trans | -71.6 | 9.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 29 | Y | 53.1 | Low | 52.4 | Low | 228 Ų | 228 | 119.9 Ų | 119.9 | 89% | 0.894 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -155 | 70.6 | -177.2 | -73.9 | -84.9 | 0 | 0 | 0 | 113 | H27 | H27-Y29 PolarHBondContact O-N 3.01Å; H27-Y29 VanDerWaalsContact O-N 3.15Å |
| 30 | A | 50.4 | Low | 51.3 | Low | 95 Ų | 95 | 118.8 Ų | 118.8 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -178.2 | 85.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 31 | S | 56.9 | Low | 50.1 | Low | 111 Ų | 111 | 119.5 Ų | 119.5 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -155.5 | 127 | 143.6 | -88.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 32 | P | 48 | Very low | 49.8 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 132.8 | -179.6 | 27.3 | -31.2 | 0 | 0 | 0 | 109.7 | ||
| 33 | P | 52.3 | Low | 49.4 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 144.3 | 179.4 | 29.7 | -32.4 | 0 | 0 | 0 | 110.4 | L35 | P33-L35 PolarHBondContact O-N 3.15Š|
| 34 | P | 49.3 | Very low | 48.9 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 122.1 | 163.6 | 28.4 | -29.6 | 0 | 0 | 0 | 108.3 | S36 | P34-S36 PolarHBondContact O-N 3.2Š|
| 35 | L | 47.4 | Very low | 49 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.3 | 175 | -71.8 | 159.6 | 0 | 0 | 0 | 109.6 | P33 | P33-L35 PolarHBondContact O-N 3.15Š|
| 36 | S | 47.6 | Very low | 48.8 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -148.1 | 126.8 | 158.8 | -74.2 | 0 | 0 | 0 | 0 | 109 | P34 | P34-S36 PolarHBondContact O-N 3.2Š| ||
| 37 | P | 48.2 | Very low | 48.9 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -87.9 | 125.9 | -178.9 | 33.7 | -28.2 | 0 | 0 | 0 | 109.2 | ||||
| 38 | G | 38.5 | Very low | 49 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 169.9 | 114 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 39 | N | 36.2 | Very low | 48.9 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 74.6 | 114.4 | 153.9 | -70.3 | -5.6 | 0 | 0 | 0 | 120.6 | ||||
| 40 | S | 45.5 | Very low | 48.9 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -8.5 | 126.5 | 136 | 53.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 41 | D | 39.1 | Very low | 49.1 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | 173.4 | 133.4 | 102.5 | -96.8 | -56.1 | 0 | 0 | 0 | 112 | R43 | D41-R43 PolarHBondContact O-N 2.96Š| |||
| 42 | K | 53.1 | Low | 49 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 18.9 | 101.6 | 145 | -57.6 | 172.1 | -171.8 | 167.7 | 0 | 116 | ||||
| 43 | R | 46.2 | Very low | 49.4 | Very low | 229 Ų | 229 | 141.4 Ų | 141.4 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -124.4 | 78.9 | 158.2 | -150.9 | 163.7 | 176.9 | -170.6 | -2.2 | 112.4 | D41 | D41-R43 PolarHBondContact O-N 2.96Š| ||
| 44 | S | 48.3 | Very low | 49.8 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | 26.3 | 110.5 | 130.7 | -169.5 | 0 | 0 | 0 | 0 | 116.3 | Q46 | S44-Q46 PolarHBondContact O-N 3.08Š| ||
| 45 | K | 55.4 | Low | 50.4 | Low | 182 Ų | 182 | 133.7 Ų | 133.7 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | -36.1 | 99.9 | 156.7 | -77.9 | 169.2 | 171.5 | 164.4 | 0 | 111.1 | K47 | K45-K47 PolarHBondContact O-N 3.3Š| ||
| 46 | Q | 52.5 | Low | 51.7 | Low | 167 Ų | 167 | 127.3 Ų | 127.3 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | trans | -80.3 | 77.9 | 169.5 | -153.5 | 168.1 | -39.8 | 0 | 0 | 108.4 | S44 N48 | S44-Q46 PolarHBondContact O-N 3.08Å; Q46-N48 PolarHBondContact O-N 3.35Å | ||
| 47 | K | 53 | Low | 53.4 | Low | 174 Ų | 174 | 129.7 Ų | 129.7 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | trans | -64.5 | 115.2 | 169.6 | -77.6 | -176.4 | 176 | -179.7 | 0 | 108.3 | K45 K49 | K45-K47 PolarHBondContact O-N 3.3Å; K47-K49 PolarHBondContact O-N 3.38Å | ||
| 48 | N | 49.9 | Very low | 55.4 | Low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -51.6 | 111.6 | 168.9 | -94.4 | -28.7 | 0 | 0 | 0 | 110.5 | Q46 K50 | Q46-N48 PolarHBondContact O-N 3.35Å; N48-K50 PolarHBondContact O-N 2.84Å; N48-K50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | K | 55.2 | Low | 57.9 | Low | 202 Ų | 202 | 131.2 Ų | 131.2 | 88% | 0.878 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -83.8 | 77.5 | 179.1 | -161.9 | 170.3 | -176.9 | 176.7 | 0 | 108.7 | K47 | K47-K49 PolarHBondContact O-N 3.38Š|
| 50 | K | 53.6 | Low | 60.7 | Low | 199 Ų | 199 | 127.3 Ų | 127.3 | 87% | 0.865 | 66% | 0.658 | S | S | * | * | trans | -139.4 | 26.2 | 168.1 | -66.9 | -168 | -179.8 | -178.9 | 0 | 113.6 | N48 | N48-K50 PolarHBondContact O-N 2.84Å; N48-K50 VanDerWaalsContact O-N 3.12Å | ||
| 51 | T | 55.2 | Low | 63.1 | Low | 94 Ų | 94 | 128.7 Ų | 128.7 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | trans | -131.2 | 17 | -178.2 | 58.6 | 0 | 0 | 0 | 0 | 115.1 | A53 A54 G55 | T51-A53 VanDerWaalsContact C-N 3.26Å; T51-A53 PolarHBondContact O-N 2.92Å; T51-A53 VanDerWaalsContact O-N 3.16Å; T51-A54 PolarHBondContact O-N 3.11Å; T51-G55 PolarHBondContact O-N 2.79Å | ||
| 52 | S | 54.6 | Low | 65.9 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -57.4 | -32.1 | -175.9 | 45.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 53 | A | 57.3 | Low | 67.9 | Low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74 | -26.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | T51 | T51-A53 VanDerWaalsContact C-N 3.26Å; T51-A53 PolarHBondContact O-N 2.92Å; T51-A53 VanDerWaalsContact O-N 3.16Å |
| 54 | A | 58.9 | Low | 70.4 | Confident | 35 Ų | 35 | 118.8 Ų | 118.8 | 29% | 0.289 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -93.1 | -12.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | T51 R58 | T51-A54 PolarHBondContact O-N 3.11Å; A54-R58 VanDerWaalsContact CB-NH1 3.34Å; A54-R58 VanDerWaalsContact O-CG 3.27Å; A54-R58 WeakPolarHBondContact O-CG 3.4Å; A54-R58 PolarHBondContact O-NH1 2.95Å; A54-R58 VanDerWaalsContact O-NH1 3.15Å |
| 55 | G | 62.6 | Low | 72.7 | Confident | 34 Ų | 34 | 116.1 Ų | 116.1 | 35% | 0.351 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.5 | -46.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | T51 K57 R58 T59 | T51-G55 PolarHBondContact O-N 2.79Å; G55-K57 PolarHBondContact O-N 2.84Å; G55-R58 PolarHBondContact O-N 3.5Å; G55-T59 WeakPolarHBondContact O-CG2 3.3Å; G55-T59 PolarHBondContact O-N 3.31Å; G55-T59 PolarHBondContact O-OG1 3.48Å |
| 56 | G | 74.8 | Confident | 74.7 | Confident | 36 Ų | 36 | 114.6 Ų | 114.6 | 37% | 0.371 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.8 | -39.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R58 T59 V60 | G56-R58 VanDerWaalsContact C-N 3.34Å; G56-R58 PolarHBondContact O-N 3.38Å; G56-T59 WeakPolarHBondContact CA-OG1 3.49Å; G56-T59 PolarHBondContact O-N 2.88Å; G56-T59 PolarHBondContact O-OG1 3.2Å; G56-V60 VanDerWaalsContact O-CG2 3.28Å; G56-V60 WeakPolarHBondContact O-CG2 3.45Å; G56-V60 PolarHBondContact O-N 3.45Å |
| 57 | K | 83.8 | Confident | 76.9 | Confident | 163 Ų | 163 | 110.9 Ų | 110.9 | 71% | 0.709 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.1 | -38.7 | 175.1 | -68.7 | 175.5 | -177.2 | -98.1 | 0 | 112.2 | G55 H61 | G55-K57 PolarHBondContact O-N 2.84Å; K57-H61 WeakPolarHBondContact O-CB 3.19Å; K57-H61 PolarHBondContact O-N 2.98Å |
| 58 | R | 89.6 | Confident | 79.1 | Confident | 163 Ų | 163 | 108.7 Ų | 108.7 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.3 | -38 | 177.4 | -76.1 | 179.7 | 173.8 | 97.8 | -4.2 | 112.4 | A54 G55 G56 N62 | A54-R58 VanDerWaalsContact CB-NH1 3.34Å; A54-R58 VanDerWaalsContact O-CG 3.27Å; A54-R58 WeakPolarHBondContact O-CG 3.4Å; A54-R58 PolarHBondContact O-NH1 2.95Å; A54-R58 VanDerWaalsContact O-NH1 3.15Å; G55-R58 PolarHBondContact O-N 3.5Å; G56-R58 VanDerWaalsContact C-N 3.34Å; G56-R58 PolarHBondContact O-N 3.38Å; R58-N62 VanDerWaalsContact O-CG 3.28Å; R58-N62 PolarHBondContact O-N 3.34Å; R58-N62 VanDerWaalsContact O-N 3.07Å; R58-N62 PolarHBondContact O-ND2 2.96Å |
| 59 | T | 91.1 | Very high | 81.3 | Confident | 78 Ų | 78 | 108.3 Ų | 108.3 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.3 | -45.7 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | G55 G56 H61 N62 E63 | G55-T59 WeakPolarHBondContact O-CG2 3.3Å; G55-T59 PolarHBondContact O-N 3.31Å; G55-T59 PolarHBondContact O-OG1 3.48Å; G56-T59 WeakPolarHBondContact CA-OG1 3.49Å; G56-T59 PolarHBondContact O-N 2.88Å; G56-T59 PolarHBondContact O-OG1 3.2Å; T59-H61 VanDerWaalsContact C-N 3.35Å; T59-H61 PolarHBondContact O-N 3.46Å; T59-N62 PolarHBondContact O-N 3.04Å; T59-N62 VanDerWaalsContact O-N 3.16Å; T59-E63 PolarHBondContact O-N 3.05Å |
| 60 | V | 95.1 | Very high | 83.4 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 175 | 172.1 | 0 | 0 | 0 | 0 | 111 | G56 N62 E63 L64 | G56-V60 VanDerWaalsContact O-CG2 3.28Å; G56-V60 WeakPolarHBondContact O-CG2 3.45Å; G56-V60 PolarHBondContact O-N 3.45Å; V60-N62 VanDerWaalsContact C-N 3.33Å; V60-N62 PolarHBondContact O-N 2.98Å; V60-E63 PolarHBondContact O-N 2.92Å; V60-L64 HydrophobicContact CG1-CD1 4.05Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CG 3.4Å; V60-L64 PolarHBondContact O-N 3.34Å |
| 61 | H | 96.1 | Very high | 85.5 | Confident | 119 Ų | 119 | 97.1 Ų | 97.1 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57 | -44.6 | 175.4 | 176.9 | -82.2 | 0 | 0 | 0 | 112.4 | K57 T59 E63 L64 E65 | K57-H61 WeakPolarHBondContact O-CB 3.19Å; K57-H61 PolarHBondContact O-N 2.98Å; T59-H61 VanDerWaalsContact C-N 3.35Å; T59-H61 PolarHBondContact O-N 3.46Å; H61-E63 PolarHBondContact O-N 3.42Å; H61-L64 PolarHBondContact O-N 2.99Å; H61-E65 WeakPolarHBondContact O-CB 3.46Å; H61-E65 PolarHBondContact O-N 3.16Å |
| 62 | N | 96.8 | Very high | 87.5 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 178.7 | -74.9 | -23 | 0 | 0 | 0 | 112.7 | R58 T59 V60 K66 | R58-N62 VanDerWaalsContact O-CG 3.28Å; R58-N62 PolarHBondContact O-N 3.34Å; R58-N62 VanDerWaalsContact O-N 3.07Å; R58-N62 PolarHBondContact O-ND2 2.96Å; T59-N62 PolarHBondContact O-N 3.04Å; T59-N62 VanDerWaalsContact O-N 3.16Å; V60-N62 VanDerWaalsContact C-N 3.33Å; V60-N62 PolarHBondContact O-N 2.98Å; N62-K66 WeakPolarHBondContact O-CB 3.39Å; N62-K66 WeakPolarHBondContact O-CG 3.45Å; N62-K66 PolarHBondContact O-N 3.36Å |
| 63 | E | 96.8 | Very high | 89.5 | Confident | 128 Ų | 128 | 99.9 Ų | 99.9 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 174.7 | -74.2 | 179.7 | 152.7 | 0 | 0 | 111.6 | T59 V60 H61 E65 K66 N67 | T59-E63 PolarHBondContact O-N 3.05Å; V60-E63 PolarHBondContact O-N 2.92Å; H61-E63 PolarHBondContact O-N 3.42Å; E63-E65 PolarHBondContact O-N 3.33Å; E63-K66 WeakPolarHBondContact O-CB 2.99Å; E63-K66 PolarHBondContact O-N 2.95Å; E63-N67 PolarHBondContact O-N 2.9Å |
| 64 | L | 97.1 | Very high | 91.4 | Very high | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 175.3 | -68.7 | 174.4 | 0 | 0 | 0 | 111.6 | V60 H61 K66 N67 R68 | V60-L64 HydrophobicContact CG1-CD1 4.05Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CG 3.4Å; V60-L64 PolarHBondContact O-N 3.34Å; H61-L64 PolarHBondContact O-N 2.99Å; L64-K66 PolarHBondContact O-N 2.99Å; L64-N67 PolarHBondContact O-N 3.1Å; L64-R68 WeakPolarHBondContact O-CB 3.35Å; L64-R68 PolarHBondContact O-N 3.01Å |
| 65 | E | 97.6 | Very high | 93.2 | Very high | 43 Ų | 43 | 103.5 Ų | 103.5 | 20% | 0.201 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 178 | 179.4 | 57.8 | -163 | 0 | 0 | 112.3 | H61 E63 R68 R69 | H61-E65 WeakPolarHBondContact O-CB 3.46Å; H61-E65 PolarHBondContact O-N 3.16Å; E63-E65 PolarHBondContact O-N 3.33Å; E65-R68 IonicContact OE1-CZ 3.98Å; E65-R68 IonicContact OE1-NE 3.58Å; E65-R68 IonicContact OE1-NH2 2.77Å; E65-R68 PolarHBondContact OE1-NH2 3.02Å; E65-R68 IonicContact OE2-CZ 3.64Å; E65-R68 IonicContact OE2-NE 3.56Å; E65-R68 PolarHBondContact OE2-NE 3.26Å; E65-R68 IonicContact OE2-NH2 2.82Å; E65-R69 WeakPolarHBondContact O-CB 3.43Å; E65-R69 VanDerWaalsContact O-CG 3.26Å; E65-R69 WeakPolarHBondContact O-CG 3.46Å; E65-R69 PolarHBondContact O-N 3.26Å; E65-R69 IonicContact OE1-CZ 3.47Å; E65-R69 IonicContact OE1-NE 3.58Å; E65-R69 PolarHBondContact OE1-NE 3.41Å; E65-R69 IonicContact OE1-NH2 2.74Å; E65-R69 PolarHBondContact OE1-NH2 3.24Å |
| 66 | K | 98.1 | Very high | 94.7 | Very high | 150 Ų | 150 | 103.3 Ų | 103.3 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 172 | -78.5 | 171.9 | -178.6 | -178.4 | 0 | 111.3 | N62 E63 L64 R69 A70 | N62-K66 WeakPolarHBondContact O-CB 3.39Å; N62-K66 WeakPolarHBondContact O-CG 3.45Å; N62-K66 PolarHBondContact O-N 3.36Å; E63-K66 WeakPolarHBondContact O-CB 2.99Å; E63-K66 PolarHBondContact O-N 2.95Å; L64-K66 PolarHBondContact O-N 2.99Å; K66-R69 PolarHBondContact O-N 3.26Å; K66-A70 PolarHBondContact O-N 2.86Å |
| 67 | N | 97.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 106.2 Ų | 106.2 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 177.2 | -169.9 | -33.8 | 0 | 0 | 0 | 110.7 | E63 L64 R69 A70 Q71 | E63-N67 PolarHBondContact O-N 2.9Å; L64-N67 PolarHBondContact O-N 3.1Å; N67-R69 VanDerWaalsContact C-N 3.28Å; N67-R69 PolarHBondContact O-N 2.89Å; N67-A70 WeakPolarHBondContact O-CB 3.31Å; N67-A70 PolarHBondContact O-N 3.39Å; N67-Q71 PolarHBondContact O-N 3.06Å; N67-Q71 PolarHBondContact OD1-NE2 2.92Å |
| 68 | R | 98.2 | Very high | 96.1 | Very high | 128 Ų | 128 | 103.2 Ų | 103.2 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.2 | -43.4 | 175.5 | -165.7 | -168.9 | 74.1 | 84.6 | 2 | 112.3 | L64 E65 Q71 L72 | L64-R68 WeakPolarHBondContact O-CB 3.35Å; L64-R68 PolarHBondContact O-N 3.01Å; E65-R68 IonicContact OE1-CZ 3.98Å; E65-R68 IonicContact OE1-NE 3.58Å; E65-R68 IonicContact OE1-NH2 2.77Å; E65-R68 PolarHBondContact OE1-NH2 3.02Å; E65-R68 IonicContact OE2-CZ 3.64Å; E65-R68 IonicContact OE2-NE 3.56Å; E65-R68 PolarHBondContact OE2-NE 3.26Å; E65-R68 IonicContact OE2-NH2 2.82Å; R68-Q71 PolarHBondContact O-N 3.38Å; R68-L72 PolarHBondContact O-N 3.42Å |
| 69 | R | 97.8 | Very high | 96.3 | Very high | 139 Ų | 139 | 97.4 Ų | 97.4 | 53% | 0.525 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68 | -35.7 | 176.8 | -73.8 | 177.1 | -173.9 | -165.9 | 1.1 | 113 | E65 K66 N67 L72 R73 | E65-R69 WeakPolarHBondContact O-CB 3.43Å; E65-R69 VanDerWaalsContact O-CG 3.26Å; E65-R69 WeakPolarHBondContact O-CG 3.46Å; E65-R69 PolarHBondContact O-N 3.26Å; E65-R69 IonicContact OE1-CZ 3.47Å; E65-R69 IonicContact OE1-NE 3.58Å; E65-R69 PolarHBondContact OE1-NE 3.41Å; E65-R69 IonicContact OE1-NH2 2.74Å; E65-R69 PolarHBondContact OE1-NH2 3.24Å; K66-R69 PolarHBondContact O-N 3.26Å; N67-R69 VanDerWaalsContact C-N 3.28Å; N67-R69 PolarHBondContact O-N 2.89Å; R69-L72 PolarHBondContact O-N 3.24Å; R69-R73 VanDerWaalsContact O-CG 3.3Å; R69-R73 WeakPolarHBondContact O-CG 3.3Å; R69-R73 PolarHBondContact O-N 2.96Å |
| 70 | A | 98 | Very high | 96.4 | Very high | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | K66 N67 L72 R73 Q74 | K66-A70 PolarHBondContact O-N 2.86Å; N67-A70 WeakPolarHBondContact O-CB 3.31Å; N67-A70 PolarHBondContact O-N 3.39Å; A70-L72 PolarHBondContact O-N 3.45Å; A70-R73 PolarHBondContact O-N 3.38Å; A70-Q74 PolarHBondContact O-N 2.98Å |
| 71 | Q | 98 | Very high | 96.2 | Very high | 110 Ų | 110 | 101.2 Ų | 101.2 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 174.2 | -67.9 | 177.4 | -9.8 | 0 | 0 | 111.8 | N67 R68 R73 Q74 C75 | N67-Q71 PolarHBondContact O-N 3.06Å; N67-Q71 PolarHBondContact OD1-NE2 2.92Å; R68-Q71 PolarHBondContact O-N 3.38Å; Q71-R73 VanDerWaalsContact C-N 3.31Å; Q71-R73 PolarHBondContact O-N 3.4Å; Q71-Q74 WeakPolarHBondContact O-CB 3.46Å; Q71-Q74 PolarHBondContact O-N 3.29Å; Q71-Q74 VanDerWaalsContact O-N 3.12Å; Q71-C75 PolarHBondContact O-N 3.38Å; Q71-C75 PolarHBondContact O-SG 3.45Å; Q71-C75 VanDerWaalsContact O-SG 3.39Å |
| 72 | L | 97.4 | Very high | 96 | Very high | 85 Ų | 85 | 102.4 Ų | 102.4 | 45% | 0.445 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.9 | -44 | 177.1 | 177 | 60.8 | 0 | 0 | 0 | 111.9 | R68 R69 A70 Q74 C75 L76 | R68-L72 PolarHBondContact O-N 3.42Å; R69-L72 PolarHBondContact O-N 3.24Å; A70-L72 PolarHBondContact O-N 3.45Å; L72-Q74 VanDerWaalsContact C-N 3.32Å; L72-Q74 PolarHBondContact O-N 3.18Å; L72-C75 PolarHBondContact O-N 3.06Å; L72-L76 HydrophobicContact CD1-CD1 4.35Å; L72-L76 HydrophobicContact CD1-CG 4.29Å; L72-L76 HydrophobicContact CG-CD1 4.22Å; L72-L76 WeakPolarHBondContact O-CG 3.47Å; L72-L76 PolarHBondContact O-N 3.2Å |
| 73 | R | 95.9 | Very high | 95.8 | Very high | 178 Ų | 178 | 98.5 Ų | 98.5 | 67% | 0.672 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 176.4 | -72.3 | 169.7 | -178 | -173.6 | -1.5 | 111.4 | R69 A70 Q71 C75 L76 E77 | R69-R73 VanDerWaalsContact O-CG 3.3Å; R69-R73 WeakPolarHBondContact O-CG 3.3Å; R69-R73 PolarHBondContact O-N 2.96Å; A70-R73 PolarHBondContact O-N 3.38Å; Q71-R73 VanDerWaalsContact C-N 3.31Å; Q71-R73 PolarHBondContact O-N 3.4Å; R73-C75 PolarHBondContact O-N 3.26Å; R73-L76 PolarHBondContact O-N 2.95Å; R73-E77 WeakPolarHBondContact O-CG 3.35Å; R73-E77 PolarHBondContact O-N 3.42Å |
| 74 | Q | 97.2 | Very high | 95.2 | Very high | 119 Ų | 119 | 96.4 Ų | 96.4 | 56% | 0.556 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.6 | -45.7 | 176.1 | -177.8 | -179.1 | -7.2 | 0 | 0 | 111.9 | A70 Q71 L72 L76 E77 Q78 | A70-Q74 PolarHBondContact O-N 2.98Å; Q71-Q74 WeakPolarHBondContact O-CB 3.46Å; Q71-Q74 PolarHBondContact O-N 3.29Å; Q71-Q74 VanDerWaalsContact O-N 3.12Å; L72-Q74 VanDerWaalsContact C-N 3.32Å; L72-Q74 PolarHBondContact O-N 3.18Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; Q74-L76 PolarHBondContact O-N 3.44Å; Q74-E77 PolarHBondContact O-N 3.08Å; Q74-Q78 WeakPolarHBondContact O-CG 3.38Å; Q74-Q78 PolarHBondContact O-N 3.37Å |
| 75 | C | 96.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 93.2 Ų | 93.2 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.6 | -64.9 | 0 | 0 | 0 | 0 | 112 | Q71 L72 R73 Q78 L79 | Q71-C75 PolarHBondContact O-N 3.38Å; Q71-C75 PolarHBondContact O-SG 3.45Å; Q71-C75 VanDerWaalsContact O-SG 3.39Å; L72-C75 PolarHBondContact O-N 3.06Å; R73-C75 PolarHBondContact O-N 3.26Å; C75-Q78 PolarHBondContact O-N 2.68Å; C75-L79 PolarHBondContact O-N 2.79Å |
| 76 | L | 95.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 95.4 Ų | 95.4 | 16% | 0.157 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 177.6 | -67.2 | 175 | 0 | 0 | 0 | 112.1 | L72 R73 Q74 L79 K80 T94 L97 | L72-L76 HydrophobicContact CD1-CD1 4.35Å; L72-L76 HydrophobicContact CD1-CG 4.29Å; L72-L76 HydrophobicContact CG-CD1 4.22Å; L72-L76 WeakPolarHBondContact O-CG 3.47Å; L72-L76 PolarHBondContact O-N 3.2Å; R73-L76 PolarHBondContact O-N 2.95Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; Q74-L76 PolarHBondContact O-N 3.44Å; L76-L79 PolarHBondContact O-N 3.01Å; L76-K80 WeakPolarHBondContact O-CG 3.3Å; L76-K80 PolarHBondContact O-N 2.97Å; L76-T94 HydrophobicContact CD1-CG2 3.86Å; L76-T94 HydrophobicContact CD2-CG2 3.8Å; L76-L97 HydrophobicContact CB-CD2 4.34Å; L76-L97 HydrophobicContact CD2-CD2 4.09Å |
| 77 | E | 93.1 | Very high | 91.2 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 174.8 | -72.9 | -57.4 | 127.3 | 0 | 0 | 112.3 | R73 Q74 K80 K81 | R73-E77 WeakPolarHBondContact O-CG 3.35Å; R73-E77 PolarHBondContact O-N 3.42Å; Q74-E77 PolarHBondContact O-N 3.08Å; E77-K80 PolarHBondContact O-N 3.07Å; E77-K80 IonicContact OE1-NZ 2.85Å; E77-K80 PolarHBondContact OE1-NZ 2.99Å; E77-K81 PolarHBondContact O-N 3.42Å |
| 78 | Q | 95 | Very high | 89.2 | Confident | 100 Ų | 100 | 97 Ų | 97 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 171.6 | -73.3 | 175.2 | -17.5 | 0 | 0 | 111.7 | Q74 C75 K80 K81 | Q74-Q78 WeakPolarHBondContact O-CG 3.38Å; Q74-Q78 PolarHBondContact O-N 3.37Å; C75-Q78 PolarHBondContact O-N 2.68Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.48Å; Q78-K81 PolarHBondContact O-N 2.87Å |
| 79 | L | 94.1 | Very high | 87.5 | Confident | 42 Ų | 42 | 93.6 Ų | 93.6 | 22% | 0.22 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.5 | -177.8 | 60.6 | 0 | 0 | 0 | 111.8 | C75 L76 K81 Q82 V83 L97 L98 A101 | C75-L79 PolarHBondContact O-N 2.79Å; L76-L79 PolarHBondContact O-N 3.01Å; L79-K81 PolarHBondContact O-N 3.25Å; L79-Q82 PolarHBondContact O-N 3.48Å; L79-Q82 VanDerWaalsContact O-N 3.07Å; L79-V83 HydrophobicContact CD1-CG2 3.79Å; L79-V83 HydrophobicContact CG-CG2 4.13Å; L79-V83 WeakPolarHBondContact O-CG2 3.32Å; L79-V83 PolarHBondContact O-N 3.48Å; L79-V83 VanDerWaalsContact O-N 3.08Å; L79-L97 HydrophobicContact CB-CD2 4.39Å; L79-L97 HydrophobicContact CD2-CD1 4.31Å; L79-L97 HydrophobicContact CD2-CD2 4Å; L79-L97 HydrophobicContact CD2-CG 3.81Å; L79-L97 HydrophobicContact CG-CD1 4.09Å; L79-L97 HydrophobicContact CG-CD2 4.29Å; L79-L97 HydrophobicContact CG-CG 4.12Å; L79-L98 HydrophobicContact CD2-CD2 3.99Å; L79-A101 HydrophobicContact CD1-CB 3.93Å; L79-A101 HydrophobicContact CD2-CB 4.21Å; L79-A101 HydrophobicContact CG-CB 4.39Å |
| 80 | K | 91.6 | Very high | 85.7 | Confident | 57 Ų | 57 | 96.2 Ų | 96.2 | 25% | 0.248 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -58.2 | -31.4 | 176.7 | -74.9 | 175.5 | -179.3 | 175.1 | 0 | 113.7 | L76 E77 Q78 Q82 L85 N92 L97 | L76-K80 WeakPolarHBondContact O-CG 3.3Å; L76-K80 PolarHBondContact O-N 2.97Å; E77-K80 PolarHBondContact O-N 3.07Å; E77-K80 IonicContact OE1-NZ 2.85Å; E77-K80 PolarHBondContact OE1-NZ 2.99Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.48Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; K80-L85 HydrophobicContact CB-CD1 4.12Å; K80-L85 HydrophobicContact CG-CD1 4.18Å; K80-L85 WeakPolarHBondContact O-CD1 3.5Å; K80-N92 WeakPolarHBondContact CE-OD1 3.41Å; K80-N92 PolarHBondContact NZ-OD1 3.39Å; K80-N92 VanDerWaalsContact NZ-OD1 3.13Å; K80-L97 HydrophobicContact CG-CD1 3.79Å; K80-L97 HydrophobicContact CG-CD2 3.71Å; K80-L97 HydrophobicContact CG-CG 4.4Å |
| 81 | K | 91.3 | Very high | 84.3 | Confident | 177 Ų | 177 | 102.5 Ų | 102.5 | 77% | 0.77 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.3 | -25.5 | 178.5 | -66.5 | 177 | -178 | -174.4 | 0 | 113.1 | E77 Q78 L79 | E77-K81 PolarHBondContact O-N 3.42Å; Q78-K81 PolarHBondContact O-N 2.87Å; L79-K81 PolarHBondContact O-N 3.25Å |
| 82 | Q | 92.6 | Very high | 83.2 | Confident | 143 Ų | 143 | 102.4 Ų | 102.4 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -94 | -29.2 | -177 | -63.2 | -177.3 | 23.6 | 0 | 0 | 112.7 | L79 K80 H104 | L79-Q82 PolarHBondContact O-N 3.48Å; L79-Q82 VanDerWaalsContact O-N 3.07Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; Q82-H104 PolarHBondContact O-CE1 2.83Å |
| 83 | V | 91.8 | Very high | 82.9 | Confident | 9 Ų | 9 | 101.2 Ų | 101.2 | 6% | 0.055 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -86.4 | 130.1 | 179.4 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | L79 L85 L97 Q100 A101 | L79-V83 HydrophobicContact CD1-CG2 3.79Å; L79-V83 HydrophobicContact CG-CG2 4.13Å; L79-V83 WeakPolarHBondContact O-CG2 3.32Å; L79-V83 PolarHBondContact O-N 3.48Å; L79-V83 VanDerWaalsContact O-N 3.08Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 HydrophobicContact CB-CD1 3.82Å; V83-L85 HydrophobicContact CB-CG 4.37Å; V83-L85 HydrophobicContact CG1-CD1 4.05Å; V83-L85 HydrophobicContact CG1-CG 4.05Å; V83-L85 WeakPolarHBondContact O-CD1 3.32Å; V83-L85 PolarHBondContact O-N 2.99Å; V83-L97 HydrophobicContact CB-CD1 4.49Å; V83-L97 HydrophobicContact CG2-CD1 4.49Å; V83-Q100 HydrophobicContact CG1-CB 3.82Å; V83-A101 HydrophobicContact CG2-CB 3.68Å |
| 84 | P | 85.3 | Confident | 82.7 | Confident | 85 Ų | 85 | 96.3 Ų | 96.3 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | trans | -69.4 | 87.9 | 170.7 | 26.2 | -30.5 | 0 | 0 | 0 | 109 | H104 | P84-H104 VanDerWaalsContact CD-CD2 3.42Å; P84-H104 WeakPolarHBondContact CD-CD2 3.39Å; P84-H104 WeakPolarHBondContact CD-NE2 3.43Å | ||
| 85 | L | 78.3 | Confident | 82.5 | Confident | 50 Ų | 50 | 95.3 Ų | 95.3 | 26% | 0.262 | 50% | 0.5 | S | S | . | . | trans | -90.6 | 121.5 | 170.9 | -67.6 | 117.1 | 0 | 0 | 0 | 108.7 | K80 V83 T87 L97 | K80-L85 HydrophobicContact CB-CD1 4.12Å; K80-L85 HydrophobicContact CG-CD1 4.18Å; K80-L85 WeakPolarHBondContact O-CD1 3.5Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 HydrophobicContact CB-CD1 3.82Å; V83-L85 HydrophobicContact CB-CG 4.37Å; V83-L85 HydrophobicContact CG1-CD1 4.05Å; V83-L85 HydrophobicContact CG1-CG 4.05Å; V83-L85 WeakPolarHBondContact O-CD1 3.32Å; V83-L85 PolarHBondContact O-N 2.99Å; L85-T87 PolarHBondContact O-N 3.48Å; L85-L97 HydrophobicContact CD1-CD1 3.58Å; L85-L97 HydrophobicContact CD2-CD1 3.92Å; L85-L97 HydrophobicContact CG-CD1 4.29Å | ||
| 86 | S | 67.2 | Low | 82.3 | Confident | 89 Ų | 89 | 94.1 Ų | 94.1 | 62% | 0.622 | 49% | 0.489 | S | S | * | . | trans | -59.2 | 128.4 | 165.6 | -46.7 | 0 | 0 | 0 | 0 | 108.6 | D88 S89 | S86-D88 PolarHBondContact O-N 3.25Å; S86-S89 PolarHBondContact O-N 3.03Å | ||
| 87 | T | 63.1 | Low | 82.2 | Confident | 139 Ų | 139 | 92.9 Ų | 92.9 | 85% | 0.853 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -19 | 176.7 | 44.8 | 0 | 0 | 0 | 0 | 112.7 | L85 | L85-T87 PolarHBondContact O-N 3.48Š|
| 88 | D | 56.7 | Low | 82.2 | Confident | 134 Ų | 134 | 92.1 Ų | 92.1 | 72% | 0.717 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 7.4 | -179 | -52.3 | -36.7 | 0 | 0 | 0 | 114.1 | S86 M90 | S86-D88 PolarHBondContact O-N 3.25Å; D88-M90 PolarHBondContact O-N 2.99Å |
| 89 | S | 62.3 | Low | 82.1 | Confident | 56 Ų | 56 | 94 Ų | 94 | 39% | 0.392 | 48% | 0.483 | S | S | . | . | trans | -68.7 | 86.2 | 169.5 | -165.9 | 0 | 0 | 0 | 0 | 109.1 | S86 R91 N92 | S86-S89 PolarHBondContact O-N 3.03Å; S89-R91 CarbonylContact O-C 3.55Å; S89-R91 PolarHBondContact O-N 3.45Å; S89-N92 PolarHBondContact O-N 3.26Å | ||
| 90 | M | 59.4 | Low | 82 | Confident | 194 Ų | 194 | 96.3 Ų | 96.3 | 96% | 0.956 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -52.7 | -7.7 | 178.7 | -70.9 | 178.7 | 72.3 | 0 | 0 | 113.8 | D88 | D88-M90 PolarHBondContact O-N 2.99Š|
| 91 | R | 67.7 | Low | 82.2 | Confident | 188 Ų | 188 | 94 Ų | 94 | 71% | 0.709 | 49% | 0.485 | S | S | * | . | trans | -123.3 | 82.3 | 171.2 | -78.7 | 179.5 | 176.4 | 147.1 | -0.9 | 111.3 | S89 T93 N96 | S89-R91 CarbonylContact O-C 3.55Å; S89-R91 PolarHBondContact O-N 3.45Å; R91-T93 HydrophobicContact CB-CG2 4.14Å; R91-T93 PolarHBondContact O-N 3.3Å; R91-N96 PolarHBondContact O-ND2 3.12Å | ||
| 92 | N | 75.2 | Confident | 82.4 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 58% | 0.578 | 48% | 0.477 | S | S | * | . | trans | -70.7 | 65.2 | 164.8 | -160.5 | -59.6 | 0 | 0 | 0 | 110.7 | K80 S89 | K80-N92 WeakPolarHBondContact CE-OD1 3.41Å; K80-N92 PolarHBondContact NZ-OD1 3.39Å; K80-N92 VanDerWaalsContact NZ-OD1 3.13Å; S89-N92 PolarHBondContact O-N 3.26Å | ||
| 93 | T | 91 | Very high | 82.5 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 36% | 0.362 | 47% | 0.47 | S | S | . | . | trans | -95.2 | 147.3 | 175 | 66.7 | 0 | 0 | 0 | 0 | 109.6 | R91 L95 N96 L97 | R91-T93 HydrophobicContact CB-CG2 4.14Å; R91-T93 PolarHBondContact O-N 3.3Å; T93-L95 PolarHBondContact O-N 3.48Å; T93-N96 PolarHBondContact O-N 3.35Å; T93-N96 VanDerWaalsContact O-N 3.14Å; T93-N96 WeakPolarHBondContact OG1-CB 3.42Å; T93-N96 PolarHBondContact OG1-N 3.04Å; T93-N96 PolarHBondContact OG1-ND2 2.96Å; T93-L97 PolarHBondContact O-N 3.36Å; T93-L97 VanDerWaalsContact O-N 3.13Å | ||
| 94 | T | 92 | Very high | 82.8 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.5 | -36.5 | 175.6 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | L76 L97 L98 | L76-T94 HydrophobicContact CD1-CG2 3.86Å; L76-T94 HydrophobicContact CD2-CG2 3.8Å; T94-L97 PolarHBondContact O-N 2.96Å; T94-L98 HydrophobicContact CG2-CD1 4.18Å; T94-L98 HydrophobicContact CG2-CG 4.48Å; T94-L98 VanDerWaalsContact O-CG 3.28Å; T94-L98 WeakPolarHBondContact O-CG 3.34Å; T94-L98 PolarHBondContact O-N 3.05Å |
| 95 | L | 93.3 | Very high | 83.3 | Confident | 97 Ų | 97 | 91.8 Ų | 91.8 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 178.2 | -178.8 | 63.2 | 0 | 0 | 0 | 112.4 | T93 L97 L98 R99 | T93-L95 PolarHBondContact O-N 3.48Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L98 PolarHBondContact O-N 3.47Å; L95-R99 WeakPolarHBondContact O-CG 3.44Å; L95-R99 PolarHBondContact O-N 2.96Å |
| 96 | N | 91.6 | Very high | 84.3 | Confident | 47 Ų | 47 | 96.2 Ų | 96.2 | 25% | 0.251 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.4 | -80.1 | -22.8 | 0 | 0 | 0 | 111.4 | R91 T93 L98 R99 Q100 | R91-N96 PolarHBondContact O-ND2 3.12Å; T93-N96 PolarHBondContact O-N 3.35Å; T93-N96 VanDerWaalsContact O-N 3.14Å; T93-N96 WeakPolarHBondContact OG1-CB 3.42Å; T93-N96 PolarHBondContact OG1-N 3.04Å; T93-N96 PolarHBondContact OG1-ND2 2.96Å; N96-L98 VanDerWaalsContact C-N 3.33Å; N96-L98 PolarHBondContact O-N 3.49Å; N96-R99 PolarHBondContact O-N 3.31Å; N96-Q100 WeakPolarHBondContact O-CB 3.46Å; N96-Q100 WeakPolarHBondContact O-CG 3.4Å; N96-Q100 PolarHBondContact O-N 3.47Å |
| 97 | L | 92.7 | Very high | 85.7 | Confident | 4 Ų | 4 | 97.7 Ų | 97.7 | 2% | 0.021 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -57.3 | -47 | 175.9 | 175.6 | 62.7 | 0 | 0 | 0 | 111.6 | L76 L79 K80 V83 L85 T93 T94 L95 Q100 A101 | L76-L97 HydrophobicContact CB-CD2 4.34Å; L76-L97 HydrophobicContact CD2-CD2 4.09Å; L79-L97 HydrophobicContact CB-CD2 4.39Å; L79-L97 HydrophobicContact CD2-CD1 4.31Å; L79-L97 HydrophobicContact CD2-CD2 4Å; L79-L97 HydrophobicContact CD2-CG 3.81Å; L79-L97 HydrophobicContact CG-CD1 4.09Å; L79-L97 HydrophobicContact CG-CD2 4.29Å; L79-L97 HydrophobicContact CG-CG 4.12Å; K80-L97 HydrophobicContact CG-CD1 3.79Å; K80-L97 HydrophobicContact CG-CD2 3.71Å; K80-L97 HydrophobicContact CG-CG 4.4Å; V83-L97 HydrophobicContact CB-CD1 4.49Å; V83-L97 HydrophobicContact CG2-CD1 4.49Å; L85-L97 HydrophobicContact CD1-CD1 3.58Å; L85-L97 HydrophobicContact CD2-CD1 3.92Å; L85-L97 HydrophobicContact CG-CD1 4.29Å; T93-L97 PolarHBondContact O-N 3.36Å; T93-L97 VanDerWaalsContact O-N 3.13Å; T94-L97 PolarHBondContact O-N 2.96Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L97-Q100 PolarHBondContact O-N 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.35Å; L97-A101 PolarHBondContact O-N 3.26Å |
| 98 | L | 94.2 | Very high | 87.4 | Confident | 81 Ų | 81 | 94.4 Ų | 94.4 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 179.3 | -67.1 | 173.7 | 0 | 0 | 0 | 112.2 | L79 T94 L95 N96 A101 Q102 | L79-L98 HydrophobicContact CD2-CD2 3.99Å; T94-L98 HydrophobicContact CG2-CD1 4.18Å; T94-L98 HydrophobicContact CG2-CG 4.48Å; T94-L98 VanDerWaalsContact O-CG 3.28Å; T94-L98 WeakPolarHBondContact O-CG 3.34Å; T94-L98 PolarHBondContact O-N 3.05Å; L95-L98 PolarHBondContact O-N 3.47Å; N96-L98 VanDerWaalsContact C-N 3.33Å; N96-L98 PolarHBondContact O-N 3.49Å; L98-A101 PolarHBondContact O-N 3.17Å; L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 3.3Å |
| 99 | R | 93.3 | Very high | 89.4 | Confident | 138 Ų | 138 | 93.8 Ų | 93.8 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.1 | -74.1 | 176.5 | 177.8 | 179.2 | -2.5 | 111.9 | L95 N96 A101 Q102 L103 | L95-R99 WeakPolarHBondContact O-CG 3.44Å; L95-R99 PolarHBondContact O-N 2.96Å; N96-R99 PolarHBondContact O-N 3.31Å; R99-A101 VanDerWaalsContact C-N 3.34Å; R99-Q102 PolarHBondContact O-N 2.92Å; R99-L103 WeakPolarHBondContact O-CG 3.4Å; R99-L103 PolarHBondContact O-N 2.92Å |
| 100 | Q | 92.3 | Very high | 91.1 | Very high | 91 Ų | 91 | 95.5 Ų | 95.5 | 43% | 0.425 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 177.3 | -70.7 | -62.9 | -34.4 | 0 | 0 | 111.7 | V83 N96 L97 Q102 L103 H104 | V83-Q100 HydrophobicContact CG1-CB 3.82Å; N96-Q100 WeakPolarHBondContact O-CB 3.46Å; N96-Q100 WeakPolarHBondContact O-CG 3.4Å; N96-Q100 PolarHBondContact O-N 3.47Å; L97-Q100 PolarHBondContact O-N 3.28Å; Q100-Q102 PolarHBondContact O-N 2.98Å; Q100-L103 PolarHBondContact O-N 3.3Å; Q100-H104 VanDerWaalsContact O-CB 3.32Å; Q100-H104 WeakPolarHBondContact O-CB 3.39Å; Q100-H104 PolarHBondContact O-N 3.22Å |
| 101 | A | 95 | Very high | 92.9 | Very high | 9 Ų | 9 | 90.6 Ų | 90.6 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L79 V83 L97 L98 R99 L103 H104 I105 | L79-A101 HydrophobicContact CD1-CB 3.93Å; L79-A101 HydrophobicContact CD2-CB 4.21Å; L79-A101 HydrophobicContact CG-CB 4.39Å; V83-A101 HydrophobicContact CG2-CB 3.68Å; L97-A101 WeakPolarHBondContact O-CB 3.35Å; L97-A101 PolarHBondContact O-N 3.26Å; L98-A101 PolarHBondContact O-N 3.17Å; R99-A101 VanDerWaalsContact C-N 3.34Å; A101-L103 PolarHBondContact O-N 3.49Å; A101-H104 PolarHBondContact O-N 3.49Å; A101-I105 VanDerWaalsContact O-CG1 3.3Å; A101-I105 WeakPolarHBondContact O-CG1 3.32Å; A101-I105 PolarHBondContact O-N 2.83Å |
| 102 | Q | 95.7 | Very high | 94.4 | Very high | 128 Ų | 128 | 87 Ų | 87 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 176.9 | -74 | 177.1 | -15.8 | 0 | 0 | 112.2 | L98 R99 Q100 I105 K106 | L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 3.3Å; R99-Q102 PolarHBondContact O-N 2.92Å; Q100-Q102 PolarHBondContact O-N 2.98Å; Q102-I105 PolarHBondContact O-N 2.86Å; Q102-K106 WeakPolarHBondContact O-CG 3.42Å; Q102-K106 PolarHBondContact O-N 3.06Å |
| 103 | L | 95.5 | Very high | 95.5 | Very high | 100 Ų | 100 | 87.2 Ų | 87.2 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 176 | -70.6 | 172.5 | 0 | 0 | 0 | 111.6 | R99 Q100 A101 I105 K106 K107 | R99-L103 WeakPolarHBondContact O-CG 3.4Å; R99-L103 PolarHBondContact O-N 2.92Å; Q100-L103 PolarHBondContact O-N 3.3Å; A101-L103 PolarHBondContact O-N 3.49Å; L103-I105 PolarHBondContact O-N 3.31Å; L103-K106 PolarHBondContact O-N 3.41Å; L103-K107 PolarHBondContact O-N 3.14Å |
| 104 | H | 96.2 | Very high | 95.9 | Very high | 47 Ų | 47 | 90.6 Ų | 90.6 | 22% | 0.218 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 178.6 | -174.7 | -126.7 | 0 | 0 | 0 | 112 | Q82 P84 Q100 A101 K106 K107 L108 | Q82-H104 PolarHBondContact O-CE1 2.83Å; P84-H104 VanDerWaalsContact CD-CD2 3.42Å; P84-H104 WeakPolarHBondContact CD-CD2 3.39Å; P84-H104 WeakPolarHBondContact CD-NE2 3.43Å; Q100-H104 VanDerWaalsContact O-CB 3.32Å; Q100-H104 WeakPolarHBondContact O-CB 3.39Å; Q100-H104 PolarHBondContact O-N 3.22Å; A101-H104 PolarHBondContact O-N 3.49Å; H104-K106 VanDerWaalsContact C-N 3.34Å; H104-K106 PolarHBondContact O-N 2.76Å; H104-K107 PolarHBondContact O-N 2.83Å; H104-L108 WeakPolarHBondContact O-CG 3.36Å; H104-L108 PolarHBondContact O-N 3.01Å |
| 105 | I | 97.4 | Very high | 96.2 | Very high | 93 Ų | 93 | 89.3 Ų | 89.3 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 174.8 | -68.5 | 164 | 0 | 0 | 0 | 110.7 | A101 Q102 L103 K107 L108 Q109 | A101-I105 VanDerWaalsContact O-CG1 3.3Å; A101-I105 WeakPolarHBondContact O-CG1 3.32Å; A101-I105 PolarHBondContact O-N 2.83Å; Q102-I105 PolarHBondContact O-N 2.86Å; L103-I105 PolarHBondContact O-N 3.31Å; I105-K107 VanDerWaalsContact C-N 3.33Å; I105-K107 PolarHBondContact O-N 3.4Å; I105-L108 PolarHBondContact O-N 3.44Å; I105-Q109 HydrophobicContact CG2-CG 4.46Å; I105-Q109 VanDerWaalsContact O-CG 3.3Å; I105-Q109 WeakPolarHBondContact O-CG 3.48Å; I105-Q109 PolarHBondContact O-N 3.16Å |
| 106 | K | 98 | Very high | 96.4 | Very high | 142 Ų | 142 | 90.5 Ų | 90.5 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.5 | -42.8 | 177.8 | -71.6 | -178.4 | 178 | -172.5 | 0 | 112.1 | Q102 L103 H104 Q109 E110 | Q102-K106 WeakPolarHBondContact O-CG 3.42Å; Q102-K106 PolarHBondContact O-N 3.06Å; L103-K106 PolarHBondContact O-N 3.41Å; H104-K106 VanDerWaalsContact C-N 3.34Å; H104-K106 PolarHBondContact O-N 2.76Å; K106-Q109 PolarHBondContact O-N 2.98Å; K106-E110 PolarHBondContact O-N 2.94Å |
| 107 | K | 97.4 | Very high | 96.8 | Very high | 120 Ų | 120 | 93.6 Ų | 93.6 | 52% | 0.522 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.6 | -175.3 | 179.2 | 179 | 179 | 0 | 111.7 | L103 H104 I105 E110 Q111 | L103-K107 PolarHBondContact O-N 3.14Å; H104-K107 PolarHBondContact O-N 2.83Å; I105-K107 VanDerWaalsContact C-N 3.33Å; I105-K107 PolarHBondContact O-N 3.4Å; K107-E110 PolarHBondContact O-N 3.27Å; K107-Q111 WeakPolarHBondContact O-CB 3.46Å; K107-Q111 VanDerWaalsContact O-CG 3.32Å; K107-Q111 WeakPolarHBondContact O-CG 3.28Å; K107-Q111 PolarHBondContact O-N 3.5Å |
| 108 | L | 98 | Very high | 97 | Very high | 70 Ų | 70 | 97.1 Ų | 97.1 | 37% | 0.366 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 177.2 | -71.6 | 175.1 | 0 | 0 | 0 | 111.5 | H104 I105 E110 Q111 D112 | H104-L108 WeakPolarHBondContact O-CG 3.36Å; H104-L108 PolarHBondContact O-N 3.01Å; I105-L108 PolarHBondContact O-N 3.44Å; L108-E110 VanDerWaalsContact C-N 3.32Å; L108-E110 PolarHBondContact O-N 3.48Å; L108-Q111 PolarHBondContact O-N 3.23Å; L108-D112 PolarHBondContact O-N 3.27Å |
| 109 | Q | 98.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 99.2 Ų | 99.2 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.6 | -44.3 | 176.8 | -72.7 | 172.2 | -26.9 | 0 | 0 | 112.2 | I105 K106 D112 E113 | I105-Q109 HydrophobicContact CG2-CG 4.46Å; I105-Q109 VanDerWaalsContact O-CG 3.3Å; I105-Q109 WeakPolarHBondContact O-CG 3.48Å; I105-Q109 PolarHBondContact O-N 3.16Å; K106-Q109 PolarHBondContact O-N 2.98Å; Q109-D112 PolarHBondContact O-N 3.39Å; Q109-E113 PolarHBondContact O-N 2.96Å |
| 110 | E | 98.3 | Very high | 97.5 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 178.2 | -162.5 | -166.2 | -161.3 | 0 | 0 | 112.2 | K106 K107 L108 R114 | K106-E110 PolarHBondContact O-N 2.94Å; K107-E110 PolarHBondContact O-N 3.27Å; L108-E110 VanDerWaalsContact C-N 3.32Å; L108-E110 PolarHBondContact O-N 3.48Å; E110-R114 VanDerWaalsContact CG-NH1 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.44Å; E110-R114 PolarHBondContact O-N 2.95Å; E110-R114 IonicContact OE1-CZ 3.37Å; E110-R114 IonicContact OE1-NH1 3.54Å; E110-R114 IonicContact OE1-NH2 2.68Å; E110-R114 PolarHBondContact OE1-NH2 2.94Å; E110-R114 IonicContact OE2-CZ 3.42Å; E110-R114 IonicContact OE2-NH1 2.79Å; E110-R114 PolarHBondContact OE2-NH1 3.33Å; E110-R114 IonicContact OE2-NH2 3.26Å; E110-R114 PolarHBondContact OE2-NH2 3.05Å |
| 111 | Q | 98.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 99.1 Ų | 99.1 | 43% | 0.425 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 173.6 | -75.7 | -179.8 | -29 | 0 | 0 | 112 | K107 L108 E113 R114 A115 | K107-Q111 WeakPolarHBondContact O-CB 3.46Å; K107-Q111 VanDerWaalsContact O-CG 3.32Å; K107-Q111 WeakPolarHBondContact O-CG 3.28Å; K107-Q111 PolarHBondContact O-N 3.5Å; L108-Q111 PolarHBondContact O-N 3.23Å; Q111-E113 VanDerWaalsContact C-N 3.35Å; Q111-R114 PolarHBondContact O-N 2.94Å; Q111-A115 VanDerWaalsContact O-CB 3.3Å; Q111-A115 WeakPolarHBondContact O-CB 3.38Å; Q111-A115 PolarHBondContact O-N 3.37Å |
| 112 | D | 98.6 | Very high | 98 | Very high | 113 Ų | 113 | 102.9 Ų | 102.9 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 175.8 | -76 | -20.9 | 0 | 0 | 0 | 110.8 | L108 Q109 A115 E116 | L108-D112 PolarHBondContact O-N 3.27Å; Q109-D112 PolarHBondContact O-N 3.39Å; D112-A115 PolarHBondContact O-N 3.48Å; D112-E116 WeakPolarHBondContact O-CB 3.21Å; D112-E116 PolarHBondContact O-N 3.33Å |
| 113 | E | 98.6 | Very high | 98.1 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 176.5 | -174 | 179.9 | -179.4 | 0 | 0 | 111.9 | Q109 Q111 A115 E116 Q117 | Q109-E113 PolarHBondContact O-N 2.96Å; Q111-E113 VanDerWaalsContact C-N 3.35Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.77Å; E113-E116 PolarHBondContact O-N 2.95Å; E113-Q117 WeakPolarHBondContact O-CG 3.48Å; E113-Q117 PolarHBondContact O-N 2.87Å |
| 114 | R | 98.4 | Very high | 98.3 | Very high | 130 Ų | 130 | 104.9 Ų | 104.9 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 175.9 | -72.9 | 179.3 | -176.1 | 114.8 | -2.6 | 112.1 | E110 Q111 E116 Q117 L118 | E110-R114 VanDerWaalsContact CG-NH1 3.28Å; E110-R114 WeakPolarHBondContact O-CG 3.44Å; E110-R114 PolarHBondContact O-N 2.95Å; E110-R114 IonicContact OE1-CZ 3.37Å; E110-R114 IonicContact OE1-NH1 3.54Å; E110-R114 IonicContact OE1-NH2 2.68Å; E110-R114 PolarHBondContact OE1-NH2 2.94Å; E110-R114 IonicContact OE2-CZ 3.42Å; E110-R114 IonicContact OE2-NH1 2.79Å; E110-R114 PolarHBondContact OE2-NH1 3.33Å; E110-R114 IonicContact OE2-NH2 3.26Å; E110-R114 PolarHBondContact OE2-NH2 3.05Å; Q111-R114 PolarHBondContact O-N 2.94Å; R114-E116 VanDerWaalsContact C-N 3.32Å; R114-Q117 PolarHBondContact O-N 3.02Å; R114-L118 WeakPolarHBondContact O-CB 3.26Å; R114-L118 PolarHBondContact O-N 2.99Å |
| 115 | A | 98.4 | Very high | 98.4 | Very high | 49 Ų | 49 | 106.7 Ų | 106.7 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q111 D112 E113 K119 | Q111-A115 VanDerWaalsContact O-CB 3.3Å; Q111-A115 WeakPolarHBondContact O-CB 3.38Å; Q111-A115 PolarHBondContact O-N 3.37Å; D112-A115 PolarHBondContact O-N 3.48Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 2.77Å; A115-K119 WeakPolarHBondContact O-CB 3.3Å; A115-K119 WeakPolarHBondContact O-CG 3.28Å; A115-K119 PolarHBondContact O-N 3.28Å |
| 116 | E | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 106.9 Ų | 106.9 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67 | -46.4 | 175.2 | -169.9 | 159.3 | -144.9 | 0 | 0 | 111.6 | D112 E113 R114 L118 K119 D120 | D112-E116 WeakPolarHBondContact O-CB 3.21Å; D112-E116 PolarHBondContact O-N 3.33Å; E113-E116 PolarHBondContact O-N 2.95Å; R114-E116 VanDerWaalsContact C-N 3.32Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.43Å; E116-K119 WeakPolarHBondContact O-CB 3.4Å; E116-K119 PolarHBondContact O-N 3.42Å; E116-K119 VanDerWaalsContact O-N 3.16Å; E116-D120 PolarHBondContact O-N 3.44Å |
| 117 | Q | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 107.3 Ų | 107.3 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 174 | -68.4 | 173.8 | 15.1 | 0 | 0 | 112 | E113 R114 D120 R121 | E113-Q117 WeakPolarHBondContact O-CG 3.48Å; E113-Q117 PolarHBondContact O-N 2.87Å; R114-Q117 PolarHBondContact O-N 3.02Å; Q117-D120 PolarHBondContact O-N 3.31Å; Q117-R121 PolarHBondContact O-N 3.01Å |
| 118 | L | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 106.5 Ų | 106.5 | 40% | 0.403 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 176.8 | 178.8 | 60.3 | 0 | 0 | 0 | 111.6 | R114 E116 D120 R121 L122 | R114-L118 WeakPolarHBondContact O-CB 3.26Å; R114-L118 PolarHBondContact O-N 2.99Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.43Å; L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 3.4Å; L118-R121 VanDerWaalsContact CD1-NH2 3.27Å; L118-R121 PolarHBondContact O-N 3.01Å; L118-L122 HydrophobicContact CD1-CD1 4.28Å; L118-L122 HydrophobicContact CD1-CG 4.3Å; L118-L122 HydrophobicContact CG-CD1 4.13Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3.06Å |
| 119 | K | 98.7 | Very high | 98.5 | Very high | 126 Ų | 126 | 108.4 Ų | 108.4 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 175 | -86.4 | 174.7 | 158.6 | 175.3 | 0 | 111.5 | A115 E116 L122 R123 | A115-K119 WeakPolarHBondContact O-CB 3.3Å; A115-K119 WeakPolarHBondContact O-CG 3.28Å; A115-K119 PolarHBondContact O-N 3.28Å; E116-K119 WeakPolarHBondContact O-CB 3.4Å; E116-K119 PolarHBondContact O-N 3.42Å; E116-K119 VanDerWaalsContact O-N 3.16Å; K119-L122 PolarHBondContact O-N 3.16Å; K119-R123 WeakPolarHBondContact O-CB 3.33Å; K119-R123 WeakPolarHBondContact O-CD 3.38Å; K119-R123 WeakPolarHBondContact O-CG 3.16Å; K119-R123 PolarHBondContact O-N 3.25Å |
| 120 | D | 98.5 | Very high | 98.4 | Very high | 76 Ų | 76 | 109 Ų | 109 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | -179.1 | -74.1 | -16.4 | 0 | 0 | 0 | 112.5 | E116 Q117 L118 L122 R123 W124 | E116-D120 PolarHBondContact O-N 3.44Å; Q117-D120 PolarHBondContact O-N 3.31Å; L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 3.4Å; D120-L122 PolarHBondContact O-N 3.13Å; D120-R123 PolarHBondContact O-N 2.89Å; D120-R123 IonicContact OD1-CZ 3.82Å; D120-R123 IonicContact OD1-NH1 2.79Å; D120-R123 PolarHBondContact OD1-NH1 3.39Å; D120-W124 WeakPolarHBondContact O-CB 3.43Å; D120-W124 PolarHBondContact O-N 3.13Å |
| 121 | R | 98.6 | Very high | 98.4 | Very high | 151 Ų | 151 | 108.1 Ų | 108.1 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58 | -48.4 | 171 | -170.3 | 179.9 | 78.3 | -160 | 6.9 | 111.4 | Q117 L118 R123 W124 Q125 | Q117-R121 PolarHBondContact O-N 3.01Å; L118-R121 VanDerWaalsContact CD1-NH2 3.27Å; L118-R121 PolarHBondContact O-N 3.01Å; R121-R123 PolarHBondContact O-N 3.49Å; R121-W124 WeakPolarHBondContact O-CB 3.35Å; R121-W124 PolarHBondContact O-N 3.02Å; R121-Q125 WeakPolarHBondContact O-CG 3.27Å; R121-Q125 PolarHBondContact O-N 3.07Å |
| 122 | L | 98.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 111.5 Ų | 111.5 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 178.8 | -69.6 | 172.7 | 0 | 0 | 0 | 112 | L118 K119 D120 W124 Q125 Q126 | L118-L122 HydrophobicContact CD1-CD1 4.28Å; L118-L122 HydrophobicContact CD1-CG 4.3Å; L118-L122 HydrophobicContact CG-CD1 4.13Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3.06Å; K119-L122 PolarHBondContact O-N 3.16Å; D120-L122 PolarHBondContact O-N 3.13Å; L122-W124 VanDerWaalsContact C-N 3.29Å; L122-W124 PolarHBondContact O-N 3.3Å; L122-Q125 PolarHBondContact O-N 3.46Å; L122-Q126 VanDerWaalsContact O-CB 3.3Å; L122-Q126 WeakPolarHBondContact O-CB 3.3Å; L122-Q126 PolarHBondContact O-N 2.82Å |
| 123 | R | 98.6 | Very high | 98.2 | Very high | 122 Ų | 122 | 110.8 Ų | 110.8 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 174 | -74.8 | 165 | 175.6 | 168.4 | -4.9 | 112 | K119 D120 R121 R127 | K119-R123 WeakPolarHBondContact O-CB 3.33Å; K119-R123 WeakPolarHBondContact O-CD 3.38Å; K119-R123 WeakPolarHBondContact O-CG 3.16Å; K119-R123 PolarHBondContact O-N 3.25Å; D120-R123 PolarHBondContact O-N 2.89Å; D120-R123 IonicContact OD1-CZ 3.82Å; D120-R123 IonicContact OD1-NH1 2.79Å; D120-R123 PolarHBondContact OD1-NH1 3.39Å; R121-R123 PolarHBondContact O-N 3.49Å; R123-R127 WeakPolarHBondContact O-CG 3.45Å; R123-R127 PolarHBondContact O-N 2.86Å; R123-R127 PolarHBondContact O-NE 3.25Å; R123-R127 VanDerWaalsContact O-NE 3.15Å |
| 124 | W | 98.6 | Very high | 98 | Very high | 148 Ų | 148 | 111 Ų | 111 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.7 | -50.3 | 174.9 | -172.9 | 91.8 | 0 | 0 | 0 | 110.8 | D120 R121 L122 Q126 R127 E128 | D120-W124 WeakPolarHBondContact O-CB 3.43Å; D120-W124 PolarHBondContact O-N 3.13Å; R121-W124 WeakPolarHBondContact O-CB 3.35Å; R121-W124 PolarHBondContact O-N 3.02Å; L122-W124 VanDerWaalsContact C-N 3.29Å; L122-W124 PolarHBondContact O-N 3.3Å; W124-Q126 VanDerWaalsContact C-N 3.32Å; W124-Q126 PolarHBondContact O-N 3.01Å; W124-R127 WeakPolarHBondContact O-CB 3.46Å; W124-R127 PolarHBondContact O-N 3.31Å; W124-R127 VanDerWaalsContact O-N 3.08Å; W124-E128 WeakPolarHBondContact CH2-OE2 3.47Å; W124-E128 HydrophobicContact CZ3-CB 4.45Å; W124-E128 WeakPolarHBondContact CZ3-OE2 3.43Å; W124-E128 PolarHBondContact O-N 3.14Å |
| 125 | Q | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 110.9 Ų | 110.9 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.2 | -72 | -179.4 | -32.8 | 0 | 0 | 112.2 | R121 L122 R127 E128 L129 | R121-Q125 WeakPolarHBondContact O-CG 3.27Å; R121-Q125 PolarHBondContact O-N 3.07Å; L122-Q125 PolarHBondContact O-N 3.46Å; Q125-R127 VanDerWaalsContact C-N 3.3Å; Q125-R127 PolarHBondContact O-N 3.47Å; Q125-E128 PolarHBondContact O-N 2.8Å; Q125-L129 WeakPolarHBondContact O-CB 3.37Å; Q125-L129 VanDerWaalsContact O-CG 3.3Å; Q125-L129 WeakPolarHBondContact O-CG 3.47Å; Q125-L129 PolarHBondContact O-N 2.85Å |
| 126 | Q | 98.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 114 Ų | 114 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.8 | -175 | -179.7 | 39.7 | 0 | 0 | 111.9 | L122 W124 R130 | L122-Q126 VanDerWaalsContact O-CB 3.3Å; L122-Q126 WeakPolarHBondContact O-CB 3.3Å; L122-Q126 PolarHBondContact O-N 2.82Å; W124-Q126 VanDerWaalsContact C-N 3.32Å; W124-Q126 PolarHBondContact O-N 3.01Å; Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 VanDerWaalsContact O-CG 3.28Å; Q126-R130 WeakPolarHBondContact O-CG 3.4Å; Q126-R130 PolarHBondContact O-N 3.45Å |
| 127 | R | 98.4 | Very high | 97.3 | Very high | 151 Ų | 151 | 113.4 Ų | 113.4 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.8 | -45.8 | 176.8 | -78.4 | -179.6 | -75 | 171.4 | -3.9 | 111.4 | R123 W124 Q125 L129 R130 V131 | R123-R127 WeakPolarHBondContact O-CG 3.45Å; R123-R127 PolarHBondContact O-N 2.86Å; R123-R127 PolarHBondContact O-NE 3.25Å; R123-R127 VanDerWaalsContact O-NE 3.15Å; W124-R127 WeakPolarHBondContact O-CB 3.46Å; W124-R127 PolarHBondContact O-N 3.31Å; W124-R127 VanDerWaalsContact O-N 3.08Å; Q125-R127 VanDerWaalsContact C-N 3.3Å; Q125-R127 PolarHBondContact O-N 3.47Å; R127-L129 PolarHBondContact O-N 3.21Å; R127-R130 PolarHBondContact O-N 3.28Å; R127-V131 WeakPolarHBondContact O-CG2 3.22Å; R127-V131 PolarHBondContact O-N 2.95Å |
| 128 | E | 98.1 | Very high | 96.6 | Very high | 104 Ų | 104 | 115.9 Ų | 115.9 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 177.4 | -176 | -176.6 | -161.3 | 0 | 0 | 111.6 | W124 Q125 R130 V131 R132 | W124-E128 WeakPolarHBondContact CH2-OE2 3.47Å; W124-E128 HydrophobicContact CZ3-CB 4.45Å; W124-E128 WeakPolarHBondContact CZ3-OE2 3.43Å; W124-E128 PolarHBondContact O-N 3.14Å; Q125-E128 PolarHBondContact O-N 2.8Å; E128-R130 VanDerWaalsContact C-N 3.33Å; E128-R130 PolarHBondContact O-N 2.75Å; E128-V131 PolarHBondContact O-N 2.76Å; E128-R132 PolarHBondContact O-N 3.15Å |
| 129 | L | 98.1 | Very high | 95.4 | Very high | 109 Ų | 109 | 113.7 Ų | 113.7 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 178.2 | -70.1 | 174.5 | 0 | 0 | 0 | 112.2 | Q125 R127 R132 L133 | Q125-L129 WeakPolarHBondContact O-CB 3.37Å; Q125-L129 VanDerWaalsContact O-CG 3.3Å; Q125-L129 WeakPolarHBondContact O-CG 3.47Å; Q125-L129 PolarHBondContact O-N 2.85Å; R127-L129 PolarHBondContact O-N 3.21Å; L129-R132 PolarHBondContact O-N 3.04Å; L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.27Å; L129-L133 PolarHBondContact O-N 3.23Å |
| 130 | R | 97.6 | Very high | 94 | Very high | 135 Ų | 135 | 111.8 Ų | 111.8 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 174 | -78.2 | 175.1 | -179.9 | 160.2 | 0.3 | 111.9 | Q126 R127 E128 R132 L133 E134 | Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 VanDerWaalsContact O-CG 3.28Å; Q126-R130 WeakPolarHBondContact O-CG 3.4Å; Q126-R130 PolarHBondContact O-N 3.45Å; R127-R130 PolarHBondContact O-N 3.28Å; E128-R130 VanDerWaalsContact C-N 3.33Å; E128-R130 PolarHBondContact O-N 2.75Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R130-R132 PolarHBondContact O-N 3.12Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-E134 WeakPolarHBondContact O-CG 3.28Å; R130-E134 PolarHBondContact O-N 3.47Å |
| 131 | V | 96.8 | Very high | 92.2 | Very high | 72 Ų | 72 | 114.9 Ų | 114.9 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | R127 E128 L133 E134 Q135 | R127-V131 WeakPolarHBondContact O-CG2 3.22Å; R127-V131 PolarHBondContact O-N 2.95Å; E128-V131 PolarHBondContact O-N 2.76Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-L133 PolarHBondContact O-N 3.02Å; V131-E134 PolarHBondContact O-N 2.94Å; V131-Q135 VanDerWaalsContact O-CG 3.29Å; V131-Q135 WeakPolarHBondContact O-CG 3.29Å; V131-Q135 PolarHBondContact O-N 3.46Å |
| 132 | R | 96.6 | Very high | 90.4 | Very high | 163 Ų | 163 | 115.5 Ų | 115.5 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 176.5 | -172.9 | 174.3 | 179.9 | 173.9 | -0.8 | 112 | E128 L129 R130 Q135 L136 | E128-R132 PolarHBondContact O-N 3.15Å; L129-R132 PolarHBondContact O-N 3.04Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R130-R132 PolarHBondContact O-N 3.12Å; R132-Q135 PolarHBondContact O-N 3.1Å; R132-L136 HydrophobicContact CG-CD1 4.46Å; R132-L136 WeakPolarHBondContact O-CG 3.48Å; R132-L136 PolarHBondContact O-N 3.37Å |
| 133 | L | 96.5 | Very high | 88.4 | Confident | 97 Ų | 97 | 117.8 Ų | 117.8 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 177.7 | -172.8 | 141.4 | 0 | 0 | 0 | 111.6 | L129 R130 V131 Q135 L136 Q137 | L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.27Å; L129-L133 PolarHBondContact O-N 3.23Å; R130-L133 PolarHBondContact O-N 2.94Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-L133 PolarHBondContact O-N 3.02Å; L133-Q135 VanDerWaalsContact C-N 3.34Å; L133-Q135 PolarHBondContact O-N 3.43Å; L133-L136 PolarHBondContact O-N 2.91Å; L133-Q137 HydrophobicContact CD2-CG 4.36Å; L133-Q137 VanDerWaalsContact CD2-NE2 3.26Å; L133-Q137 WeakPolarHBondContact O-CG 3.4Å; L133-Q137 PolarHBondContact O-N 2.95Å |
| 134 | E | 95.6 | Very high | 86.4 | Confident | 118 Ų | 118 | 122.3 Ų | 122.3 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.8 | -40.7 | 173.6 | -72.4 | 170.9 | -165.8 | 0 | 0 | 112.1 | R130 V131 Q137 R138 | R130-E134 WeakPolarHBondContact O-CG 3.28Å; R130-E134 PolarHBondContact O-N 3.47Å; V131-E134 PolarHBondContact O-N 2.94Å; E134-Q137 PolarHBondContact O-N 2.74Å; E134-R138 VanDerWaalsContact O-CB 3.31Å; E134-R138 WeakPolarHBondContact O-CB 3.41Å; E134-R138 PolarHBondContact O-N 3.42Å |
| 135 | Q | 93.9 | Very high | 84.5 | Confident | 127 Ų | 127 | 122.6 Ų | 122.6 | 59% | 0.593 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63 | -43.2 | 176.2 | -73 | 173.6 | 20.8 | 0 | 0 | 112.3 | V131 R132 L133 R138 G139 | V131-Q135 VanDerWaalsContact O-CG 3.29Å; V131-Q135 WeakPolarHBondContact O-CG 3.29Å; V131-Q135 PolarHBondContact O-N 3.46Å; R132-Q135 PolarHBondContact O-N 3.1Å; L133-Q135 VanDerWaalsContact C-N 3.34Å; L133-Q135 PolarHBondContact O-N 3.43Å; Q135-R138 PolarHBondContact O-N 3.44Å; Q135-G139 PolarHBondContact O-N 2.83Å |
| 136 | L | 93.9 | Very high | 82.5 | Confident | 116 Ų | 116 | 124.2 Ų | 124.2 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.9 | -42.3 | 177.5 | -71.1 | 172.3 | 0 | 0 | 0 | 111.7 | R132 L133 G139 T140 | R132-L136 HydrophobicContact CG-CD1 4.46Å; R132-L136 WeakPolarHBondContact O-CG 3.48Å; R132-L136 PolarHBondContact O-N 3.37Å; L133-L136 PolarHBondContact O-N 2.91Å; L136-G139 PolarHBondContact O-N 3.45Å; L136-T140 PolarHBondContact O-N 3.37Å; L136-T140 PolarHBondContact O-OG1 2.9Å |
| 137 | Q | 91.5 | Very high | 80.4 | Confident | 108 Ų | 108 | 123.7 Ų | 123.7 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.9 | -48.6 | 174.1 | -74.4 | 177.1 | -13 | 0 | 0 | 111.4 | L133 E134 G139 T140 E141 | L133-Q137 HydrophobicContact CD2-CG 4.36Å; L133-Q137 VanDerWaalsContact CD2-NE2 3.26Å; L133-Q137 WeakPolarHBondContact O-CG 3.4Å; L133-Q137 PolarHBondContact O-N 2.95Å; E134-Q137 PolarHBondContact O-N 2.74Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.28Å; Q137-T140 WeakPolarHBondContact O-CB 3.3Å; Q137-T140 PolarHBondContact O-N 2.89Å; Q137-T140 VanDerWaalsContact O-N 3.1Å; Q137-E141 WeakPolarHBondContact O-CG 3.36Å; Q137-E141 PolarHBondContact O-N 2.94Å |
| 138 | R | 85.2 | Confident | 78.4 | Confident | 164 Ų | 164 | 125.8 Ų | 125.8 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.6 | -27.8 | 177.9 | -166.7 | 173.7 | 178.9 | -145.8 | 0.2 | 113.3 | E134 Q135 R142 | E134-R138 VanDerWaalsContact O-CB 3.31Å; E134-R138 WeakPolarHBondContact O-CB 3.41Å; E134-R138 PolarHBondContact O-N 3.42Å; Q135-R138 PolarHBondContact O-N 3.44Å; R138-R142 WeakPolarHBondContact O-CB 3.49Å; R138-R142 VanDerWaalsContact O-CG 3.3Å; R138-R142 WeakPolarHBondContact O-CG 3.34Å; R138-R142 PolarHBondContact O-N 3.43Å; R138-R142 PolarHBondContact O-NE 2.88Å; R138-R142 VanDerWaalsContact O-NE 3.16Å |
| 139 | G | 73.9 | Confident | 76.8 | Confident | 31 Ų | 31 | 124.3 Ų | 124.3 | 32% | 0.32 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -42.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q135 L136 Q137 M143 | Q135-G139 PolarHBondContact O-N 2.83Å; L136-G139 PolarHBondContact O-N 3.45Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.28Å; G139-M143 WeakPolarHBondContact O-CB 3.49Å; G139-M143 PolarHBondContact O-N 3.37Å |
| 140 | T | 67.6 | Low | 74.5 | Confident | 86 Ų | 86 | 125.1 Ų | 125.1 | 53% | 0.528 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.8 | -42.2 | 179.7 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | L136 Q137 M143 R144 | L136-T140 PolarHBondContact O-N 3.37Å; L136-T140 PolarHBondContact O-OG1 2.9Å; Q137-T140 WeakPolarHBondContact O-CB 3.3Å; Q137-T140 PolarHBondContact O-N 2.89Å; Q137-T140 VanDerWaalsContact O-N 3.1Å; T140-M143 PolarHBondContact O-N 2.74Å; T140-R144 PolarHBondContact O-N 2.85Å; T140-R144 VanDerWaalsContact O-N 3.09Å |
| 141 | E | 61.3 | Low | 72.4 | Confident | 141 Ų | 141 | 124.9 Ų | 124.9 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.7 | -40.1 | 176.7 | -72 | -177.4 | 159.9 | 0 | 0 | 112.6 | Q137 R144 N145 | Q137-E141 WeakPolarHBondContact O-CG 3.36Å; Q137-E141 PolarHBondContact O-N 2.94Å; E141-R144 PolarHBondContact O-N 2.97Å; E141-N145 PolarHBondContact O-N 2.91Å |
| 142 | R | 60.6 | Low | 70.8 | Confident | 164 Ų | 164 | 130.2 Ų | 130.2 | 62% | 0.619 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.2 | -34.7 | 175.5 | -74.1 | -174.3 | -70.4 | 162.3 | -2.2 | 112.6 | R138 R144 N145 | R138-R142 WeakPolarHBondContact O-CB 3.49Å; R138-R142 VanDerWaalsContact O-CG 3.3Å; R138-R142 WeakPolarHBondContact O-CG 3.34Å; R138-R142 PolarHBondContact O-N 3.43Å; R138-R142 PolarHBondContact O-NE 2.88Å; R138-R142 VanDerWaalsContact O-NE 3.16Å; R142-R144 VanDerWaalsContact C-N 3.26Å; R142-R144 PolarHBondContact O-N 3.3Å; R142-N145 PolarHBondContact O-N 2.84Å |
| 143 | M | 55.9 | Low | 68.4 | Low | 136 Ų | 136 | 128.2 Ų | 128.2 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.1 | -14.8 | 176.6 | -155.5 | 177 | 77.6 | 0 | 0 | 113.1 | G139 T140 N146 | G139-M143 WeakPolarHBondContact O-CB 3.49Å; G139-M143 PolarHBondContact O-N 3.37Å; T140-M143 PolarHBondContact O-N 2.74Å; M143-N146 VanDerWaalsContact C-OD1 3.25Å; M143-N146 WeakPolarHBondContact CA-OD1 3.26Å; M143-N146 PolarHBondContact O-OD1 3.47Å |
| 144 | R | 57.2 | Low | 67.1 | Low | 217 Ų | 217 | 128.2 Ų | 128.2 | 82% | 0.819 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -88.1 | -21.4 | 175 | -151.4 | 172.1 | -175.8 | 158.3 | 1.3 | 112.8 | T140 E141 R142 | T140-R144 PolarHBondContact O-N 2.85Å; T140-R144 VanDerWaalsContact O-N 3.09Å; E141-R144 PolarHBondContact O-N 2.97Å; R142-R144 VanDerWaalsContact C-N 3.26Å; R142-R144 PolarHBondContact O-N 3.3Å |
| 145 | N | 59.3 | Low | 64.8 | Low | 154 Ų | 154 | 128.9 Ų | 128.9 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -3.4 | -177.1 | -152.3 | 20.2 | 0 | 0 | 0 | 114.4 | E141 R142 | E141-N145 PolarHBondContact O-N 2.91Å; R142-N145 PolarHBondContact O-N 2.84Å |
| 146 | N | 57 | Low | 63.3 | Low | 118 Ų | 118 | 133.8 Ų | 133.8 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 9.8 | 178 | 63.7 | -13.1 | 0 | 0 | 0 | 114.2 | M143 | M143-N146 VanDerWaalsContact C-OD1 3.25Å; M143-N146 WeakPolarHBondContact CA-OD1 3.26Å; M143-N146 PolarHBondContact O-OD1 3.47Å |
| 147 | S | 53.8 | Low | 61.5 | Low | 86 Ų | 86 | 133.8 Ų | 133.8 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | trans | -122.3 | 92.6 | 177.8 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 148 | Q | 55.6 | Low | 60 | Low | 195 Ų | 195 | 136.3 Ų | 136.3 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | trans | -61.9 | 140.9 | 145.3 | -73.2 | -166.4 | -13.4 | 0 | 0 | 107.8 | ||||
| 149 | G | 63.9 | Low | 58.6 | Low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 73% | 0.73 | S | S | * | * | trans | -49.9 | 147.9 | -158.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 150 | S | 50.3 | Low | 57.7 | Low | 125 Ų | 125 | 138.1 Ų | 138.1 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -143.7 | 135.7 | 154.7 | -72.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 151 | T | 54.4 | Low | 57.4 | Low | 131 Ų | 131 | 144.3 Ų | 144.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -83 | 142.4 | -169.4 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 152 | M | 63.7 | Low | 57.3 | Low | 183 Ų | 183 | 145.6 Ų | 145.6 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | 35.1 | 111.7 | 152.6 | -56.6 | -63.4 | 135.2 | 0 | 0 | 118.2 | ||||
| 153 | S | 45.9 | Very low | 57.2 | Low | 121 Ų | 121 | 144.7 Ų | 144.7 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -148 | 112.4 | 144.6 | -169 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 154 | S | 67.8 | Low | 57.8 | Low | 97 Ų | 97 | 144.1 Ų | 144.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 136.7 | 159.4 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 155 | D | 48.8 | Very low | 58 | Low | 133 Ų | 133 | 142.4 Ų | 142.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | -170.5 | 146.2 | 110.5 | -120.5 | -51.5 | 0 | 0 | 0 | 112.1 | S157 | D155-S157 PolarHBondContact O-N 3.41Š| |||
| 156 | R | 60.8 | Low | 58.4 | Low | 230 Ų | 230 | 140.9 Ų | 140.9 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -36.5 | 120.2 | 178.2 | -63.7 | 153 | 174 | -106.9 | -6 | 112.9 | ||||
| 157 | S | 56.1 | Low | 58.8 | Low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -113 | 93.3 | 158.9 | -154.4 | 0 | 0 | 0 | 0 | 107.4 | D155 S159 | D155-S157 PolarHBondContact O-N 3.41Å; S157-S159 PolarHBondContact O-N 3.27Å; S157-S159 VanDerWaalsContact O-N 3.14Å | ||
| 158 | D | 61.1 | Low | 59.1 | Low | 160 Ų | 160 | 143.2 Ų | 143.2 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 97.7 | 166.4 | -168.5 | 17.8 | 0 | 0 | 0 | 106.8 | ||||
| 159 | S | 54.8 | Low | 59.4 | Low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | -106.7 | 93.9 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 106.5 | S157 R161 | S157-S159 PolarHBondContact O-N 3.27Å; S157-S159 VanDerWaalsContact O-N 3.14Å; S159-R161 PolarHBondContact O-N 2.91Å | ||
| 160 | D | 56 | Low | 58.9 | Low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -45 | 106.7 | 168.9 | -139.9 | -9 | 0 | 0 | 0 | 108.8 | ||||
| 161 | R | 61.8 | Low | 59.1 | Low | 215 Ų | 215 | 144.9 Ų | 144.9 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -95.4 | 101.1 | 172.3 | -91.1 | -178 | 159.3 | 175.3 | -5.8 | 105.4 | S159 D163 | S159-R161 PolarHBondContact O-N 2.91Å; R161-D163 PolarHBondContact O-N 3.49Å; R161-D163 VanDerWaalsContact O-N 3.11Å | ||
| 162 | E | 58.5 | Low | 59 | Low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -65.1 | 110.6 | 162.2 | -59.7 | -165.2 | 173.9 | 0 | 0 | 107.2 | V164 | E162-V164 PolarHBondContact O-N 2.97Š| ||
| 163 | D | 57.7 | Low | 58 | Low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -62.8 | 99.3 | 171.8 | -75.4 | -43.1 | 0 | 0 | 0 | 108.1 | R161 E165 | R161-D163 PolarHBondContact O-N 3.49Å; R161-D163 VanDerWaalsContact O-N 3.11Å; D163-E165 PolarHBondContact O-N 2.72Å | ||
| 164 | V | 68.4 | Low | 57.8 | Low | 125 Ų | 125 | 145.1 Ų | 145.1 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -73.9 | 95.9 | 169.4 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | E162 V166 | E162-V164 PolarHBondContact O-N 2.97Å; V164-V166 PolarHBondContact O-N 3.36Å | ||
| 165 | E | 62.4 | Low | 56.6 | Low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -57.9 | 108.7 | 169.7 | -63.4 | -178 | -174.6 | 0 | 0 | 108.6 | D163 D167 | D163-E165 PolarHBondContact O-N 2.72Å; E165-D167 PolarHBondContact O-N 3.32Å | ||
| 166 | V | 67.3 | Low | 56.4 | Low | 121 Ų | 121 | 142.6 Ų | 142.6 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -79.6 | 105.1 | 171.9 | -173.2 | 0 | 0 | 0 | 0 | 106.2 | V164 V168 | V164-V166 PolarHBondContact O-N 3.36Å; V166-V168 WeakPolarHBondContact O-CG2 3.34Å; V166-V168 PolarHBondContact O-N 3.22Å; V166-V168 VanDerWaalsContact O-N 3.1Å | ||
| 167 | D | 64.8 | Low | 55.5 | Low | 121 Ų | 121 | 139.1 Ų | 139.1 | 65% | 0.647 | 76% | 0.758 | S | S | * | * | trans | -57 | 113 | 171.1 | -178.9 | 20.1 | 0 | 0 | 0 | 109.5 | E165 E169 | E165-D167 PolarHBondContact O-N 3.32Å; D167-E169 VanDerWaalsContact C-N 3.3Å; D167-E169 PolarHBondContact OD1-N 3.48Å | ||
| 168 | V | 60.6 | Low | 55.4 | Low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -88.1 | -3.8 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | V166 | V166-V168 WeakPolarHBondContact O-CG2 3.34Å; V166-V168 PolarHBondContact O-N 3.22Å; V166-V168 VanDerWaalsContact O-N 3.1Å | ||
| 169 | E | 62.5 | Low | 54.6 | Low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -106.5 | 46.5 | -171.1 | -156 | 155.2 | -149.9 | 0 | 0 | 113 | D167 | D167-E169 VanDerWaalsContact C-N 3.3Å; D167-E169 PolarHBondContact OD1-N 3.48Å | ||
| 170 | S | 53.8 | Low | 54 | Low | 88 Ų | 88 | 137.3 Ų | 137.3 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | -152.1 | 62 | 163.6 | -160.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 171 | I | 53.4 | Low | 53.4 | Low | 165 Ų | 165 | 139.3 Ų | 139.3 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -105.6 | 64.5 | 146 | 96.3 | 177.4 | 0 | 0 | 0 | 107 | F173 | I171-F173 PolarHBondContact O-N 3.2Š| ||
| 172 | V | 53.3 | Low | 52.3 | Low | 117 Ų | 117 | 132.8 Ų | 132.8 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | trans | -71.8 | 96.2 | 157 | -175.4 | 0 | 0 | 0 | 0 | 104.5 | D174 | V172-D174 PolarHBondContact O-N 3.41Š| ||
| 173 | F | 42.7 | Very low | 51.4 | Low | 180 Ų | 180 | 133.2 Ų | 133.2 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | trans | -58.7 | 97.9 | 166.6 | -177 | -98 | 0 | 0 | 0 | 106.4 | I171 C175 | I171-F173 PolarHBondContact O-N 3.2Å; F173-C175 HydrophobicContact CD1-CB 3.98Å; F173-C175 HydrophobicContact CE1-CB 3.94Å; F173-C175 PolarHBondContact O-N 3.47Å | ||
| 174 | D | 41.5 | Very low | 50.6 | Low | 142 Ų | 142 | 130.7 Ų | 130.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -68.3 | 86.2 | -179.6 | -149.1 | 8.7 | 0 | 0 | 0 | 107.9 | V172 | V172-D174 PolarHBondContact O-N 3.41Š| ||
| 175 | C | 41.9 | Very low | 49.1 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -105.7 | 68.2 | 161.6 | -171.2 | 0 | 0 | 0 | 0 | 106.5 | F173 D177 | F173-C175 HydrophobicContact CD1-CB 3.98Å; F173-C175 HydrophobicContact CE1-CB 3.94Å; F173-C175 PolarHBondContact O-N 3.47Å; C175-D177 VanDerWaalsContact C-N 3.3Å; C175-D177 PolarHBondContact O-N 3.35Å | ||
| 176 | A | 45.4 | Very low | 48.4 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | trans | -67 | 94.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 177 | D | 42.3 | Very low | 47.2 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | -160.3 | 127.8 | 129.2 | -101.8 | -30.9 | 0 | 0 | 0 | 111.2 | C175 | C175-D177 VanDerWaalsContact C-N 3.3Å; C175-D177 PolarHBondContact O-N 3.35Å | |||
| 178 | S | 52.3 | Low | 46.5 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 84.1 | 92.4 | 172.1 | -119.7 | 0 | 0 | 0 | 0 | 119.3 | ||
| 179 | D | 45.8 | Very low | 46 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 64.8 | 109.2 | 134.2 | -51.6 | -45.5 | 0 | 0 | 0 | 120.6 | ||||
| 180 | G | 42.5 | Very low | 45.2 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 151.6 | 77.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 181 | L | 42.8 | Very low | 45.2 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | 45.9 | 118.4 | 139.9 | -63.9 | 160.7 | 0 | 0 | 0 | 120.3 | ||||
| 182 | G | 37.6 | Very low | 44.9 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 117 | 75.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | A184 | G182-A184 PolarHBondContact O-N 3.17Š| ||
| 183 | I | 41.6 | Very low | 44.8 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -70.9 | 113.7 | 155.6 | -70.5 | 170.8 | 0 | 0 | 0 | 107.3 | ||||
| 184 | A | 39.1 | Very low | 45 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -102 | 108 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | G182 | G182-A184 PolarHBondContact O-N 3.17Š| ||
| 185 | H | 38.5 | Very low | 45.2 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -57.2 | 130.7 | 169.7 | -170.6 | -93.6 | 0 | 0 | 0 | 110.1 | D187 | H185-D187 IonicContact CE1-OD1 3.14Å; H185-D187 IonicContact CE1-OD2 3.06Å; H185-D187 PolarHBondContact CE1-OD2 2.8Å; H185-D187 IonicContact ND1-OD2 2.76Å; H185-D187 PolarHBondContact ND1-OD2 2.82Å; H185-D187 PolarHBondContact O-N 3.28Å | ||
| 186 | M | 47.1 | Very low | 45.6 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -72.2 | 114.1 | 167.4 | -68.9 | -93.2 | 89.7 | 0 | 0 | 108.1 | ||||
| 187 | D | 41.3 | Very low | 45.5 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -124.4 | 112.1 | 154.2 | -92.9 | -47.4 | 0 | 0 | 0 | 108.3 | H185 | H185-D187 IonicContact CE1-OD1 3.14Å; H185-D187 IonicContact CE1-OD2 3.06Å; H185-D187 PolarHBondContact CE1-OD2 2.8Å; H185-D187 IonicContact ND1-OD2 2.76Å; H185-D187 PolarHBondContact ND1-OD2 2.82Å; H185-D187 PolarHBondContact O-N 3.28Å | ||
| 188 | A | 50.1 | Low | 45.9 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -86.8 | 100 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 189 | D | 50.3 | Low | 45.8 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -120 | 112.4 | 162 | -94.3 | -28.6 | 0 | 0 | 0 | 109.9 | S191 | D189-S191 PolarHBondContact O-N 3.15Š| ||
| 190 | H | 46.3 | Very low | 46 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | -65.6 | 118.1 | 166.4 | -69.3 | -67.1 | 0 | 0 | 0 | 109.4 | ||||
| 191 | S | 54.3 | Low | 46.2 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -139.3 | 108.2 | 162.9 | -144.8 | 0 | 0 | 0 | 0 | 110.5 | D189 S193 | D189-S191 PolarHBondContact O-N 3.15Å; S191-S193 PolarHBondContact O-N 3.32Å | ||
| 192 | Y | 47.1 | Very low | 46.3 | Very low | 232 Ų | 232 | 150.5 Ų | 150.5 | 91% | 0.91 | 82% | 0.819 | S | S | * | * | trans | -63.1 | 121.3 | 169.8 | -114.5 | -104.4 | 0 | 0 | 0 | 109 | ||||
| 193 | S | 49.8 | Very low | 46.8 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -168.1 | 125.4 | 140 | -88.3 | 0 | 0 | 0 | 0 | 112.6 | S191 | S191-S193 PolarHBondContact O-N 3.32Š| ||
| 194 | S | 48.6 | Very low | 47.1 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -45.1 | 136 | 164.7 | 179.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 195 | L | 45.6 | Very low | 47.6 | Very low | 158 Ų | 158 | 157 Ų | 157 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | -161.3 | 110.6 | 121.6 | -158.3 | 62 | 0 | 0 | 0 | 111.5 | |||||
| 196 | D | 48.9 | Very low | 48.2 | Very low | 127 Ų | 127 | 157.6 Ų | 157.6 | 68% | 0.679 | 83% | 0.827 | S | S | * | * | trans | 9.1 | 119 | 136.8 | -157.6 | 8.7 | 0 | 0 | 0 | 117.5 | ||||
| 197 | R | 44.5 | Very low | 48.3 | Very low | 207 Ų | 207 | 156.4 Ų | 156.4 | 78% | 0.781 | 82% | 0.824 | S | S | * | * | trans | -166.1 | 96.7 | 145.7 | -111 | 159.5 | 176.9 | -100.4 | -0.4 | 112.8 | ||||
| 198 | S | 49.2 | Very low | 48.9 | Very low | 93 Ų | 93 | 158.3 Ų | 158.3 | 65% | 0.65 | 83% | 0.834 | S | S | * | * | trans | -21.5 | 131.9 | 145.5 | 43.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 199 | W | 50.8 | Low | 48.8 | Very low | 213 Ų | 213 | 163.8 Ų | 163.8 | 81% | 0.807 | 84% | 0.84 | S | S | * | * | trans | -148.2 | 115.7 | 146.2 | -75 | 105 | 0 | 0 | 0 | 110.5 | ||||
| 200 | L | 50 | Low | 48.6 | Very low | 237 Ų | 237 | 164.8 Ų | 164.8 | 100% | 1.241 | 84% | 0.842 | S | S | * | * | trans | 27.6 | 0 | 151 | -78.1 | 153.5 | 0 | 0 | 0 | 119.6 |
Retrieved 200 of 200 residues in 81.6 ms
(Link to these results)