| 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 | 42.6 | Very low | 41.5 | Very low | 237 Ų | 237 | 166.5 Ų | 166.5 | 100% | 1.167 | 85% | 0.851 | S | S | * | * | 0 | 45.3 | 0 | -160.5 | 179.7 | -179.3 | 0 | 0 | 111.2 | |||||
| 2 | I | 42.1 | Very low | 41.1 | Very low | 170 Ų | 170 | 163.8 Ų | 163.8 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -139.1 | 62.1 | 165.4 | -56 | 179.5 | 0 | 0 | 0 | 106.1 | ||||
| 3 | L | 40.2 | Very low | 40.7 | Very low | 177 Ų | 177 | 166 Ų | 166 | 93% | 0.927 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -120.8 | 31.3 | 169 | -105.5 | 168.7 | 0 | 0 | 0 | 108 | ||
| 4 | R | 46.5 | Very low | 40.7 | Very low | 230 Ų | 230 | 164.5 Ų | 164.5 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -149.3 | 19.3 | -163.3 | -138.2 | -172.4 | -92.8 | -173.3 | -5.6 | 119.2 | ||
| 5 | R | 52.7 | Low | 40.9 | Very low | 234 Ų | 234 | 157.1 Ų | 157.1 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -145.5 | 119.2 | 166.1 | -77.3 | -170.3 | 178.5 | 170.4 | -1.1 | 110.9 | ||
| 6 | L | 48.3 | Very low | 42 | Very low | 177 Ų | 177 | 155.1 Ų | 155.1 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | trans | 76 | 81.4 | 174 | -45.5 | 173.1 | 0 | 0 | 0 | 112.4 | ||||
| 7 | G | 40.8 | Very low | 43.6 | Very low | 58 Ų | 58 | 150.2 Ų | 150.2 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | cis | 92.8 | 106.1 | 42.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | Y | 38 | Very low | 45 | Very low | 219 Ų | 219 | 145.8 Ų | 145.8 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | trans | 72.9 | 95.8 | 156.1 | -60.2 | -83 | 0 | 0 | 0 | 115.5 | ||||
| 9 | S | 39.1 | Very low | 46.2 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | 59.2 | 89.4 | 86.9 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 10 | N | 33.9 | Very low | 47.5 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | trans | -175.6 | 165.6 | 143.7 | -93.2 | -19.1 | 0 | 0 | 0 | 108 | ||||
| 11 | G | 31.8 | Very low | 49 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | -42 | 142.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 12 | M | 36.9 | Very low | 50.6 | Low | 134 Ų | 134 | 129.1 Ų | 129.1 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | -121.7 | 114.1 | 59.9 | -69.6 | 170.4 | 169.7 | 0 | 0 | 110.5 | F14 | M12-F14 PolarHBondContact O-N 3.45Š| |||
| 13 | K | 36.3 | Very low | 52.1 | Low | 193 Ų | 193 | 128.4 Ų | 128.4 | 84% | 0.839 | 65% | 0.648 | S | S | * | * | -52.9 | 110.8 | 126.3 | -75.6 | 179.8 | 178.4 | 179.5 | 0 | 101.4 | S15 | K13-S15 PolarHBondContact O-N 3.15Š| |||
| 14 | F | 41 | Very low | 54.1 | Low | 145 Ų | 145 | 123.8 Ų | 123.8 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | -54.4 | 97.4 | 148.9 | -94.8 | -84.1 | 0 | 0 | 0 | 100.9 | M12 T16 E18 | M12-F14 PolarHBondContact O-N 3.45Å; F14-T16 PolarHBondContact O-N 2.74Å; F14-E18 HydrophobicContact CD1-CB 3.73Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.32Å; F14-E18 HydrophobicContact CE1-CB 4.3Å; F14-E18 WeakPolarHBondContact CE1-OE2 3.34Å | ||
| 15 | S | 43.8 | Very low | 55.9 | Low | 53 Ų | 53 | 118.8 Ų | 118.8 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | trans | -53.6 | 138.5 | 178 | 177.7 | 0 | 0 | 0 | 0 | 101.9 | K13 E17 E18 | K13-S15 PolarHBondContact O-N 3.15Å; S15-E17 CarbonylContact O-C 3.4Å; S15-E17 WeakPolarHBondContact O-CA 3.48Å; S15-E17 PolarHBondContact O-N 3.28Å; S15-E17 WeakPolarHBondContact OG-CB 3.39Å; S15-E17 PolarHBondContact OG-N 2.75Å; S15-E18 PolarHBondContact O-N 3.31Å | ||
| 16 | T | 57.3 | Low | 57.1 | Low | 125 Ų | 125 | 114 Ų | 114 | 77% | 0.767 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -43.4 | -23.2 | 166.9 | 41.4 | 0 | 0 | 0 | 0 | 110.8 | F14 R20 | F14-T16 PolarHBondContact O-N 2.74Å; T16-R20 VanDerWaalsContact O-CB 3.22Å; T16-R20 WeakPolarHBondContact O-CB 3.47Å; T16-R20 PolarHBondContact O-N 3.21Å |
| 17 | E | 70.4 | Confident | 58.7 | Low | 72 Ų | 72 | 110.3 Ų | 110.3 | 34% | 0.336 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.3 | -49.4 | 163.3 | -151.2 | 68.9 | -173.9 | 0 | 0 | 118.6 | S15 T19 R20 I21 | S15-E17 CarbonylContact O-C 3.4Å; S15-E17 WeakPolarHBondContact O-CA 3.48Å; S15-E17 PolarHBondContact O-N 3.28Å; S15-E17 WeakPolarHBondContact OG-CB 3.39Å; S15-E17 PolarHBondContact OG-N 2.75Å; E17-T19 PolarHBondContact O-N 2.97Å; E17-R20 VanDerWaalsContact CD-CZ 3.48Å; E17-R20 CarbonylContact O-C 3.59Å; E17-R20 WeakPolarHBondContact O-CA 3.22Å; E17-R20 WeakPolarHBondContact O-CB 3.24Å; E17-R20 PolarHBondContact O-N 3.14Å; E17-R20 VanDerWaalsContact O-N 3.14Å; E17-R20 IonicContact OE1-CZ 3.46Å; E17-R20 IonicContact OE1-NE 2.81Å; E17-R20 IonicContact OE1-NH1 3.98Å; E17-R20 PolarHBondContact OE1-NH1 2.75Å; E17-R20 IonicContact OE1-NH2 2.99Å; E17-R20 PolarHBondContact OE1-NH2 3.49Å; E17-R20 IonicContact OE2-CZ 3.46Å; E17-R20 IonicContact OE2-NH1 3.85Å; E17-R20 PolarHBondContact OE2-NH1 2.77Å; E17-R20 IonicContact OE2-NH2 3.48Å; E17-I21 HydrophobicContact CG-CD1 4.06Å; E17-I21 VanDerWaalsContact O-CG1 3.24Å; E17-I21 WeakPolarHBondContact O-CG1 3.47Å; E17-I21 PolarHBondContact O-N 3.05Å |
| 18 | E | 68 | Low | 60.8 | Low | 72 Ų | 72 | 114 Ų | 114 | 34% | 0.336 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.2 | -39.1 | -176.1 | -78.8 | 177.4 | 166.3 | 0 | 0 | 111.5 | F14 S15 R20 I21 A22 | F14-E18 HydrophobicContact CD1-CB 3.73Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.32Å; F14-E18 HydrophobicContact CE1-CB 4.3Å; F14-E18 WeakPolarHBondContact CE1-OE2 3.34Å; S15-E18 PolarHBondContact O-N 3.31Å; E18-R20 VanDerWaalsContact C-N 3.33Å; E18-I21 PolarHBondContact O-N 3.29Å; E18-A22 PolarHBondContact O-N 3.22Å |
| 19 | T | 67.1 | Low | 63 | Low | 65 Ų | 65 | 108.8 Ų | 108.8 | 40% | 0.399 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -38.8 | 171 | -30.8 | 0 | 0 | 0 | 0 | 110.5 | E17 A22 Y23 | E17-T19 PolarHBondContact O-N 2.97Å; T19-A22 PolarHBondContact O-N 2.67Å; T19-Y23 HydrophobicContact CG2-CD2 4.04Å; T19-Y23 HydrophobicContact CG2-CE2 3.77Å; T19-Y23 WeakPolarHBondContact O-CD2 3.09Å; T19-Y23 PolarHBondContact O-N 3.02Å |
| 20 | R | 73.5 | Confident | 64.9 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 43% | 0.434 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.7 | -47.3 | 173.9 | -162.3 | -171.5 | 92.3 | -149 | -10.1 | 111.6 | T16 E17 E18 A22 Y23 E24 | T16-R20 VanDerWaalsContact O-CB 3.22Å; T16-R20 WeakPolarHBondContact O-CB 3.47Å; T16-R20 PolarHBondContact O-N 3.21Å; E17-R20 VanDerWaalsContact CD-CZ 3.48Å; E17-R20 CarbonylContact O-C 3.59Å; E17-R20 WeakPolarHBondContact O-CA 3.22Å; E17-R20 WeakPolarHBondContact O-CB 3.24Å; E17-R20 PolarHBondContact O-N 3.14Å; E17-R20 VanDerWaalsContact O-N 3.14Å; E17-R20 IonicContact OE1-CZ 3.46Å; E17-R20 IonicContact OE1-NE 2.81Å; E17-R20 IonicContact OE1-NH1 3.98Å; E17-R20 PolarHBondContact OE1-NH1 2.75Å; E17-R20 IonicContact OE1-NH2 2.99Å; E17-R20 PolarHBondContact OE1-NH2 3.49Å; E17-R20 IonicContact OE2-CZ 3.46Å; E17-R20 IonicContact OE2-NH1 3.85Å; E17-R20 PolarHBondContact OE2-NH1 2.77Å; E17-R20 IonicContact OE2-NH2 3.48Å; E18-R20 VanDerWaalsContact C-N 3.33Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.06Å; R20-Y23 CarbonylContact O-C 3.59Å; R20-Y23 PolarHBondContact O-N 3.46Å; R20-Y23 VanDerWaalsContact O-N 3.15Å; R20-E24 HydrophobicContact CG-CG 4.48Å; R20-E24 IonicContact CZ-OE1 3.99Å; R20-E24 IonicContact NE-OE1 3.03Å; R20-E24 PolarHBondContact NE-OE1 3.38Å; R20-E24 IonicContact NE-OE2 2.71Å; R20-E24 IonicContact NH2-OE1 2.72Å; R20-E24 PolarHBondContact NH2-OE1 2.83Å; R20-E24 IonicContact NH2-OE2 2.73Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 2.81Å |
| 21 | I | 78.8 | Confident | 67.4 | Low | 90 Ų | 90 | 105.6 Ų | 105.6 | 46% | 0.462 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 177.8 | -69.5 | 163.9 | 0 | 0 | 0 | 110.7 | E17 E18 E24 K25 | E17-I21 HydrophobicContact CG-CD1 4.06Å; E17-I21 VanDerWaalsContact O-CG1 3.24Å; E17-I21 WeakPolarHBondContact O-CG1 3.47Å; E17-I21 PolarHBondContact O-N 3.05Å; E18-I21 PolarHBondContact O-N 3.29Å; I21-E24 PolarHBondContact O-N 2.84Å; I21-K25 WeakPolarHBondContact O-CB 3.48Å; I21-K25 PolarHBondContact O-N 2.75Å |
| 22 | A | 75.7 | Confident | 70 | Confident | 53 Ų | 53 | 108.7 Ų | 108.7 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E18 T19 R20 K26 | E18-A22 PolarHBondContact O-N 3.22Å; T19-A22 PolarHBondContact O-N 2.67Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.06Å; A22-K26 PolarHBondContact O-N 2.6Å |
| 23 | Y | 73.9 | Confident | 72.3 | Confident | 156 Ų | 156 | 106.4 Ų | 106.4 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.3 | -40.6 | 173.2 | -82 | -66.1 | 0 | 0 | 0 | 112.3 | T19 R20 K26 L27 | T19-Y23 HydrophobicContact CG2-CD2 4.04Å; T19-Y23 HydrophobicContact CG2-CE2 3.77Å; T19-Y23 WeakPolarHBondContact O-CD2 3.09Å; T19-Y23 PolarHBondContact O-N 3.02Å; R20-Y23 CarbonylContact O-C 3.59Å; R20-Y23 PolarHBondContact O-N 3.46Å; R20-Y23 VanDerWaalsContact O-N 3.15Å; Y23-K26 PolarHBondContact O-N 2.73Å; Y23-L27 WeakPolarHBondContact O-CG 3.37Å; Y23-L27 PolarHBondContact O-N 2.71Å |
| 24 | E | 81.1 | Confident | 74.6 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.2 | -77.8 | 170.1 | 177.2 | 0 | 0 | 110.8 | R20 I21 K26 L27 E28 | R20-E24 HydrophobicContact CG-CG 4.48Å; R20-E24 IonicContact CZ-OE1 3.99Å; R20-E24 IonicContact NE-OE1 3.03Å; R20-E24 PolarHBondContact NE-OE1 3.38Å; R20-E24 IonicContact NE-OE2 2.71Å; R20-E24 IonicContact NH2-OE1 2.72Å; R20-E24 PolarHBondContact NH2-OE1 2.83Å; R20-E24 IonicContact NH2-OE2 2.73Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 2.81Å; I21-E24 PolarHBondContact O-N 2.84Å; E24-K26 PolarHBondContact O-N 3.15Å; E24-L27 WeakPolarHBondContact O-CB 3.45Å; E24-L27 PolarHBondContact O-N 3.5Å; E24-L27 VanDerWaalsContact O-N 3.16Å; E24-E28 PolarHBondContact O-N 3.43Å |
| 25 | K | 85.1 | Confident | 76.9 | Confident | 126 Ų | 126 | 101.4 Ų | 101.4 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.2 | -173.3 | 179.9 | 176.4 | -173.9 | 0 | 112.8 | I21 L27 E28 E29 | I21-K25 WeakPolarHBondContact O-CB 3.48Å; I21-K25 PolarHBondContact O-N 2.75Å; K25-L27 VanDerWaalsContact C-N 3.32Å; K25-E28 PolarHBondContact O-N 2.96Å; K25-E29 WeakPolarHBondContact CE-OE1 3.32Å; K25-E29 WeakPolarHBondContact O-CG 3.46Å; K25-E29 PolarHBondContact O-N 3.46Å |
| 26 | K | 78.5 | Confident | 79 | Confident | 133 Ų | 133 | 103 Ų | 103 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -34 | 175.3 | -79.7 | -174.2 | 176.9 | -178.8 | 0 | 112.3 | A22 Y23 E24 E29 L30 | A22-K26 PolarHBondContact O-N 2.6Å; Y23-K26 PolarHBondContact O-N 2.73Å; E24-K26 PolarHBondContact O-N 3.15Å; K26-E29 PolarHBondContact O-N 2.89Å; K26-L30 WeakPolarHBondContact O-CB 3.48Å; K26-L30 VanDerWaalsContact O-CG 3.29Å; K26-L30 WeakPolarHBondContact O-CG 3.49Å; K26-L30 PolarHBondContact O-N 3.28Å |
| 27 | L | 80.6 | Confident | 80.4 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 173 | -80.6 | 159.9 | 0 | 0 | 0 | 110.6 | Y23 E24 K25 E29 L30 D31 | Y23-L27 WeakPolarHBondContact O-CG 3.37Å; Y23-L27 PolarHBondContact O-N 2.71Å; E24-L27 WeakPolarHBondContact O-CB 3.45Å; E24-L27 PolarHBondContact O-N 3.5Å; E24-L27 VanDerWaalsContact O-N 3.16Å; K25-L27 VanDerWaalsContact C-N 3.32Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 2.97Å; L27-L30 WeakPolarHBondContact O-CB 3.16Å; L27-L30 PolarHBondContact O-N 3.19Å; L27-L30 VanDerWaalsContact O-N 3.1Å; L27-D31 PolarHBondContact O-N 3.4Å |
| 28 | E | 85.4 | Confident | 81.2 | Confident | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.5 | -39.2 | 173.8 | -72.1 | 178.1 | 174.6 | 0 | 0 | 112.7 | E24 K25 L30 D31 K32 | E24-E28 PolarHBondContact O-N 3.43Å; K25-E28 PolarHBondContact O-N 2.96Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-D31 PolarHBondContact O-N 2.78Å; E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 PolarHBondContact O-N 2.92Å |
| 29 | E | 84.5 | Confident | 82.2 | Confident | 111 Ų | 111 | 99.3 Ų | 99.3 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -34.7 | 174.7 | -74.8 | 173.7 | -170.8 | 0 | 0 | 112.4 | K25 K26 L27 L33 | K25-E29 WeakPolarHBondContact CE-OE1 3.32Å; K25-E29 WeakPolarHBondContact O-CG 3.46Å; K25-E29 PolarHBondContact O-N 3.46Å; K26-E29 PolarHBondContact O-N 2.89Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 2.97Å; E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 PolarHBondContact O-N 3.15Å; E29-L33 VanDerWaalsContact O-N 3.14Å |
| 30 | L | 79.6 | Confident | 83.1 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.7 | -44.5 | 174.5 | -75.7 | 169 | 0 | 0 | 0 | 111.6 | K26 L27 E28 K32 L33 D34 | K26-L30 WeakPolarHBondContact O-CB 3.48Å; K26-L30 VanDerWaalsContact O-CG 3.29Å; K26-L30 WeakPolarHBondContact O-CG 3.49Å; K26-L30 PolarHBondContact O-N 3.28Å; L27-L30 WeakPolarHBondContact O-CB 3.16Å; L27-L30 PolarHBondContact O-N 3.19Å; L27-L30 VanDerWaalsContact O-N 3.1Å; E28-L30 VanDerWaalsContact C-N 3.33Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.87Å; L30-L33 WeakPolarHBondContact O-CB 3.37Å; L30-L33 PolarHBondContact O-N 3.38Å; L30-L33 VanDerWaalsContact O-N 3.08Å; L30-D34 PolarHBondContact O-N 3.41Å |
| 31 | D | 85.6 | Confident | 83.7 | Confident | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.9 | -71.4 | -21.9 | 0 | 0 | 0 | 110.7 | L27 E28 L33 D34 E35 | L27-D31 PolarHBondContact O-N 3.4Å; E28-D31 PolarHBondContact O-N 2.78Å; D31-L33 VanDerWaalsContact C-N 3.35Å; D31-L33 PolarHBondContact O-N 3.25Å; D31-D34 PolarHBondContact O-N 3.32Å; D31-E35 PolarHBondContact O-N 3.04Å |
| 32 | K | 87.5 | Confident | 84.2 | Confident | 134 Ų | 134 | 99.7 Ų | 99.7 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -37.1 | 175.7 | -170.9 | 175.9 | -179.7 | -179.1 | 0 | 112.8 | E28 L30 E35 D36 | E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 PolarHBondContact O-N 2.92Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.87Å; K32-E35 PolarHBondContact O-N 3.46Å; K32-D36 PolarHBondContact O-N 2.9Å |
| 33 | L | 85 | Confident | 84.8 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 176.2 | -174 | 68.2 | 0 | 0 | 0 | 111.2 | E29 L30 D31 E35 D36 I37 | E29-L33 WeakPolarHBondContact O-CB 3.42Å; E29-L33 PolarHBondContact O-N 3.15Å; E29-L33 VanDerWaalsContact O-N 3.14Å; L30-L33 WeakPolarHBondContact O-CB 3.37Å; L30-L33 PolarHBondContact O-N 3.38Å; L30-L33 VanDerWaalsContact O-N 3.08Å; D31-L33 VanDerWaalsContact C-N 3.35Å; D31-L33 PolarHBondContact O-N 3.25Å; L33-E35 VanDerWaalsContact C-N 3.34Å; L33-D36 PolarHBondContact O-N 2.99Å; L33-I37 HydrophobicContact CG-CD1 4.06Å; L33-I37 WeakPolarHBondContact O-CB 3.4Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 2.93Å |
| 34 | D | 84.8 | Confident | 85.2 | Confident | 94 Ų | 94 | 103.5 Ų | 103.5 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 175.7 | -78.9 | -9.3 | 0 | 0 | 0 | 111.6 | L30 D31 S38 | L30-D34 PolarHBondContact O-N 3.41Å; D31-D34 PolarHBondContact O-N 3.32Å; D34-S38 WeakPolarHBondContact O-CB 3.02Å; D34-S38 PolarHBondContact O-N 3.18Å; D34-S38 PolarHBondContact O-OG 3.24Å |
| 35 | E | 89.6 | Confident | 85.5 | Confident | 139 Ų | 139 | 103.5 Ų | 103.5 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 170.8 | -75.4 | -176.3 | 174.5 | 0 | 0 | 112.2 | D31 K32 L33 S38 A39 | D31-E35 PolarHBondContact O-N 3.04Å; K32-E35 PolarHBondContact O-N 3.46Å; L33-E35 VanDerWaalsContact C-N 3.34Å; E35-S38 PolarHBondContact O-N 2.88Å; E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 3.09Å |
| 36 | D | 87.8 | Confident | 85.7 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 178.5 | -77.8 | -22.9 | 0 | 0 | 0 | 111.4 | K32 L33 A39 D40 | K32-D36 PolarHBondContact O-N 2.9Å; L33-D36 PolarHBondContact O-N 2.99Å; D36-A39 PolarHBondContact O-N 3.43Å; D36-D40 PolarHBondContact O-N 3.27Å |
| 37 | I | 85.5 | Confident | 85.7 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 40% | 0.395 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.2 | -71 | 167.2 | 0 | 0 | 0 | 110.2 | L33 A39 D40 E41 | L33-I37 HydrophobicContact CG-CD1 4.06Å; L33-I37 WeakPolarHBondContact O-CB 3.4Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 2.93Å; I37-A39 VanDerWaalsContact C-N 3.29Å; I37-A39 PolarHBondContact O-N 2.83Å; I37-D40 PolarHBondContact O-N 3.47Å; I37-E41 HydrophobicContact CG2-CG 4.38Å; I37-E41 WeakPolarHBondContact O-CB 3.32Å; I37-E41 WeakPolarHBondContact O-CG 3.49Å; I37-E41 PolarHBondContact O-N 3.23Å |
| 38 | S | 88 | Confident | 85.9 | Confident | 73 Ų | 73 | 95.8 Ų | 95.8 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 178.4 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | D34 E35 A42 | D34-S38 WeakPolarHBondContact O-CB 3.02Å; D34-S38 PolarHBondContact O-N 3.18Å; D34-S38 PolarHBondContact O-OG 3.24Å; E35-S38 PolarHBondContact O-N 2.88Å; S38-A42 WeakPolarHBondContact O-CB 3.37Å; S38-A42 PolarHBondContact O-N 3.4Å; S38-A42 VanDerWaalsContact O-N 3.08Å |
| 39 | A | 88.2 | Confident | 86 | Confident | 41 Ų | 41 | 96.2 Ų | 96.2 | 34% | 0.339 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E35 D36 I37 A42 R43 | E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 3.09Å; D36-A39 PolarHBondContact O-N 3.43Å; I37-A39 VanDerWaalsContact C-N 3.29Å; I37-A39 PolarHBondContact O-N 2.83Å; A39-A42 PolarHBondContact O-N 2.88Å; A39-R43 WeakPolarHBondContact O-CG 3.41Å; A39-R43 PolarHBondContact O-N 3Å |
| 40 | D | 85.8 | Confident | 86 | Confident | 86 Ų | 86 | 94.8 Ų | 94.8 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.4 | -35.6 | 177.8 | -80.2 | -12 | 0 | 0 | 0 | 112.4 | D36 I37 A42 R43 L44 | D36-D40 PolarHBondContact O-N 3.27Å; I37-D40 PolarHBondContact O-N 3.47Å; D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 3.32Å; D40-R43 PolarHBondContact O-N 2.95Å; D40-R43 IonicContact OD1-CZ 3.99Å; D40-R43 IonicContact OD1-NH1 2.6Å; D40-R43 PolarHBondContact OD1-NH1 3.44Å; D40-L44 WeakPolarHBondContact O-CB 3.5Å; D40-L44 PolarHBondContact O-N 2.99Å |
| 41 | E | 87 | Confident | 86 | Confident | 129 Ų | 129 | 94 Ų | 94 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 169.6 | -76.2 | -173.2 | 168.6 | 0 | 0 | 111.6 | I37 L44 S45 | I37-E41 HydrophobicContact CG2-CG 4.38Å; I37-E41 WeakPolarHBondContact O-CB 3.32Å; I37-E41 WeakPolarHBondContact O-CG 3.49Å; I37-E41 PolarHBondContact O-N 3.23Å; E41-L44 PolarHBondContact O-N 2.89Å; E41-S45 WeakPolarHBondContact O-CB 3.29Å; E41-S45 PolarHBondContact O-N 3.46Å |
| 42 | A | 88.9 | Confident | 85.9 | Confident | 63 Ų | 63 | 93.1 Ų | 93.1 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S38 A39 D40 S45 A46 | S38-A42 WeakPolarHBondContact O-CB 3.37Å; S38-A42 PolarHBondContact O-N 3.4Å; S38-A42 VanDerWaalsContact O-N 3.08Å; A39-A42 PolarHBondContact O-N 2.88Å; D40-A42 VanDerWaalsContact C-N 3.33Å; D40-A42 PolarHBondContact O-N 3.32Å; A42-S45 PolarHBondContact O-N 3.47Å; A42-A46 WeakPolarHBondContact O-CB 3.4Å; A42-A46 PolarHBondContact O-N 3.49Å |
| 43 | R | 88.5 | Confident | 85.6 | Confident | 171 Ų | 171 | 91.7 Ų | 91.7 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 175.1 | -73.3 | 170.5 | 179.8 | 163 | -0.4 | 112 | A39 D40 S45 A46 A47 | A39-R43 WeakPolarHBondContact O-CG 3.41Å; A39-R43 PolarHBondContact O-N 3Å; D40-R43 PolarHBondContact O-N 2.95Å; D40-R43 IonicContact OD1-CZ 3.99Å; D40-R43 IonicContact OD1-NH1 2.6Å; D40-R43 PolarHBondContact OD1-NH1 3.44Å; R43-S45 VanDerWaalsContact C-N 3.35Å; R43-A46 PolarHBondContact O-N 2.83Å; R43-A47 WeakPolarHBondContact O-CB 3.47Å; R43-A47 PolarHBondContact O-N 3.01Å |
| 44 | L | 83.3 | Confident | 85.5 | Confident | 117 Ų | 117 | 92.7 Ų | 92.7 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 177.4 | -176 | 66 | 0 | 0 | 0 | 111 | D40 E41 A47 T48 | D40-L44 WeakPolarHBondContact O-CB 3.5Å; D40-L44 PolarHBondContact O-N 2.99Å; E41-L44 PolarHBondContact O-N 2.89Å; L44-A47 PolarHBondContact O-N 3.1Å; L44-T48 VanDerWaalsContact O-CB 3.31Å; L44-T48 WeakPolarHBondContact O-CB 3.39Å; L44-T48 PolarHBondContact O-N 3.39Å; L44-T48 PolarHBondContact O-OG1 3.38Å |
| 45 | S | 87.2 | Confident | 85.4 | Confident | 80 Ų | 80 | 95.1 Ų | 95.1 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | E41 A42 R43 T48 K49 | E41-S45 WeakPolarHBondContact O-CB 3.29Å; E41-S45 PolarHBondContact O-N 3.46Å; A42-S45 PolarHBondContact O-N 3.47Å; R43-S45 VanDerWaalsContact C-N 3.35Å; S45-T48 PolarHBondContact O-N 2.96Å; S45-K49 WeakPolarHBondContact O-CB 3.29Å; S45-K49 PolarHBondContact O-N 2.92Å |
| 46 | A | 87.5 | Confident | 85 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 51% | 0.512 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A42 R43 K49 K50 | A42-A46 WeakPolarHBondContact O-CB 3.4Å; A42-A46 PolarHBondContact O-N 3.49Å; R43-A46 PolarHBondContact O-N 2.83Å; A46-K49 PolarHBondContact O-N 3.16Å; A46-K50 PolarHBondContact O-N 3.42Å |
| 47 | A | 80.4 | Confident | 84.7 | Confident | 57 Ų | 57 | 94.4 Ų | 94.4 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R43 L44 K50 C51 | R43-A47 WeakPolarHBondContact O-CB 3.47Å; R43-A47 PolarHBondContact O-N 3.01Å; L44-A47 PolarHBondContact O-N 3.1Å; A47-K50 PolarHBondContact O-N 3.19Å; A47-C51 WeakPolarHBondContact O-CB 3.38Å; A47-C51 PolarHBondContact O-N 3.22Å |
| 48 | T | 83.4 | Confident | 84.3 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | L44 S45 K50 C51 C52 | L44-T48 VanDerWaalsContact O-CB 3.31Å; L44-T48 WeakPolarHBondContact O-CB 3.39Å; L44-T48 PolarHBondContact O-N 3.39Å; L44-T48 PolarHBondContact O-OG1 3.38Å; S45-T48 PolarHBondContact O-N 2.96Å; T48-K50 VanDerWaalsContact C-N 3.32Å; T48-K50 PolarHBondContact O-N 3.28Å; T48-C51 PolarHBondContact O-N 3.48Å; T48-C52 PolarHBondContact O-N 3.35Å; T48-C52 PolarHBondContact O-SG 3.47Å; T48-C52 VanDerWaalsContact O-SG 3.36Å |
| 49 | K | 88.2 | Confident | 83.9 | Confident | 145 Ų | 145 | 96.4 Ų | 96.4 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -43.1 | 176.3 | -172 | 177.5 | -178.7 | 179.3 | 0 | 112 | S45 A46 C52 Q53 | S45-K49 WeakPolarHBondContact O-CB 3.29Å; S45-K49 PolarHBondContact O-N 2.92Å; A46-K49 PolarHBondContact O-N 3.16Å; K49-C52 PolarHBondContact O-N 2.87Å; K49-Q53 WeakPolarHBondContact O-CG 3.33Å; K49-Q53 PolarHBondContact O-N 3.3Å |
| 50 | K | 84.1 | Confident | 83.5 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 35% | 0.352 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 177.2 | -162.6 | -179.6 | -169.4 | -175.2 | 0 | 112.2 | A46 A47 T48 Q53 W54 | A46-K50 PolarHBondContact O-N 3.42Å; A47-K50 PolarHBondContact O-N 3.19Å; T48-K50 VanDerWaalsContact C-N 3.32Å; T48-K50 PolarHBondContact O-N 3.28Å; K50-Q53 WeakPolarHBondContact O-CB 3.43Å; K50-Q53 PolarHBondContact O-N 2.98Å; K50-W54 HydrophobicContact CD-CH2 4.15Å; K50-W54 HydrophobicContact CD-CZ2 3.9Å; K50-W54 HydrophobicContact CG-CD2 4.37Å; K50-W54 HydrophobicContact CG-CZ2 4.11Å; K50-W54 PolarHBondContact O-N 2.98Å |
| 51 | C | 78.9 | Confident | 82.8 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 52% | 0.52 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | A47 T48 Q53 W54 K55 | A47-C51 WeakPolarHBondContact O-CB 3.38Å; A47-C51 PolarHBondContact O-N 3.22Å; T48-C51 PolarHBondContact O-N 3.48Å; C51-Q53 PolarHBondContact O-N 3.31Å; C51-W54 PolarHBondContact O-N 3.47Å; C51-K55 WeakPolarHBondContact O-CB 3.32Å; C51-K55 PolarHBondContact O-N 2.88Å |
| 52 | C | 85.3 | Confident | 82.2 | Confident | 80 Ų | 80 | 98.3 Ų | 98.3 | 54% | 0.541 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 173.1 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | T48 K49 K55 Q56 | T48-C52 PolarHBondContact O-N 3.35Å; T48-C52 PolarHBondContact O-SG 3.47Å; T48-C52 VanDerWaalsContact O-SG 3.36Å; K49-C52 PolarHBondContact O-N 2.87Å; C52-K55 PolarHBondContact O-N 2.99Å; C52-Q56 PolarHBondContact O-N 3.37Å |
| 53 | Q | 80.8 | Confident | 81.7 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 174.9 | -74.1 | 173.6 | -25.3 | 0 | 0 | 111.8 | K49 K50 C51 K55 Q56 E57 | K49-Q53 WeakPolarHBondContact O-CG 3.33Å; K49-Q53 PolarHBondContact O-N 3.3Å; K50-Q53 WeakPolarHBondContact O-CB 3.43Å; K50-Q53 PolarHBondContact O-N 2.98Å; C51-Q53 PolarHBondContact O-N 3.31Å; Q53-K55 VanDerWaalsContact C-N 3.3Å; Q53-K55 PolarHBondContact O-N 3.48Å; Q53-Q56 WeakPolarHBondContact O-CB 3.49Å; Q53-Q56 PolarHBondContact O-N 3.31Å; Q53-Q56 VanDerWaalsContact O-N 3.07Å; Q53-E57 WeakPolarHBondContact O-CG 3.43Å; Q53-E57 PolarHBondContact O-N 3.31Å |
| 54 | W | 82.1 | Confident | 81 | Confident | 109 Ų | 109 | 95.6 Ų | 95.6 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 177.1 | -69.3 | -21.7 | 0 | 0 | 0 | 113.1 | K50 C51 Q56 E57 L58 L284 | K50-W54 HydrophobicContact CD-CH2 4.15Å; K50-W54 HydrophobicContact CD-CZ2 3.9Å; K50-W54 HydrophobicContact CG-CD2 4.37Å; K50-W54 HydrophobicContact CG-CZ2 4.11Å; K50-W54 PolarHBondContact O-N 2.98Å; C51-W54 PolarHBondContact O-N 3.47Å; W54-Q56 VanDerWaalsContact C-N 3.29Å; W54-Q56 PolarHBondContact O-N 2.95Å; W54-E57 PolarHBondContact O-N 2.9Å; W54-L58 VanDerWaalsContact O-CB 3.3Å; W54-L58 WeakPolarHBondContact O-CB 3.47Å; W54-L58 PolarHBondContact O-N 2.88Å; W54-L284 HydrophobicContact CH2-CD1 3.68Å; W54-L284 HydrophobicContact CH2-CD2 3.78Å; W54-L284 HydrophobicContact CH2-CG 4.35Å; W54-L284 HydrophobicContact CZ2-CD1 3.61Å; W54-L284 HydrophobicContact CZ2-CD2 3.97Å; W54-L284 HydrophobicContact CZ2-CG 4.46Å |
| 55 | K | 84.1 | Confident | 80.3 | Confident | 145 Ų | 145 | 94.2 Ų | 94.2 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -38.4 | 174.4 | -170.6 | 175.5 | -179.1 | 179.4 | 0 | 111.2 | C51 C52 Q53 I59 | C51-K55 WeakPolarHBondContact O-CB 3.32Å; C51-K55 PolarHBondContact O-N 2.88Å; C52-K55 PolarHBondContact O-N 2.99Å; Q53-K55 VanDerWaalsContact C-N 3.3Å; Q53-K55 PolarHBondContact O-N 3.48Å; K55-I59 HydrophobicContact CG-CD1 4.41Å; K55-I59 WeakPolarHBondContact O-CD1 3.48Å; K55-I59 VanDerWaalsContact O-CG1 3.24Å; K55-I59 WeakPolarHBondContact O-CG1 3.44Å; K55-I59 PolarHBondContact O-N 3.37Å; K55-I59 VanDerWaalsContact O-N 3.13Å |
| 56 | Q | 81.3 | Confident | 79.8 | Confident | 103 Ų | 103 | 94.1 Ų | 94.1 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -47 | 175.8 | -171.7 | 63.5 | 26.6 | 0 | 0 | 111.6 | C52 Q53 W54 L58 I59 E60 | C52-Q56 PolarHBondContact O-N 3.37Å; Q53-Q56 WeakPolarHBondContact O-CB 3.49Å; Q53-Q56 PolarHBondContact O-N 3.31Å; Q53-Q56 VanDerWaalsContact O-N 3.07Å; W54-Q56 VanDerWaalsContact C-N 3.29Å; W54-Q56 PolarHBondContact O-N 2.95Å; Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 3.31Å; Q56-I59 WeakPolarHBondContact O-CB 3.25Å; Q56-I59 PolarHBondContact O-N 2.79Å; Q56-I59 VanDerWaalsContact O-N 3.15Å; Q56-E60 WeakPolarHBondContact O-CG 3.33Å; Q56-E60 PolarHBondContact O-N 2.98Å |
| 57 | E | 80.9 | Confident | 79.2 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 175.4 | -71.4 | 171.7 | -172.8 | 0 | 0 | 111.7 | Q53 W54 I59 E60 V61 | Q53-E57 WeakPolarHBondContact O-CG 3.43Å; Q53-E57 PolarHBondContact O-N 3.31Å; W54-E57 PolarHBondContact O-N 2.9Å; E57-I59 VanDerWaalsContact C-N 3.35Å; E57-I59 PolarHBondContact O-N 2.92Å; E57-E60 PolarHBondContact O-N 3.42Å; E57-V61 WeakPolarHBondContact O-CG2 3.46Å; E57-V61 PolarHBondContact O-N 3.47Å |
| 58 | L | 76.9 | Confident | 78.8 | Confident | 123 Ų | 123 | 103.2 Ų | 103.2 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 176.6 | -173.1 | 67.7 | 0 | 0 | 0 | 111.7 | W54 Q56 E60 V61 D62 | W54-L58 VanDerWaalsContact O-CB 3.3Å; W54-L58 WeakPolarHBondContact O-CB 3.47Å; W54-L58 PolarHBondContact O-N 2.88Å; Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 3.31Å; L58-E60 VanDerWaalsContact C-N 3.35Å; L58-V61 PolarHBondContact O-N 3.08Å; L58-D62 VanDerWaalsContact O-CB 3.3Å; L58-D62 WeakPolarHBondContact O-CB 3.35Å; L58-D62 PolarHBondContact O-N 2.9Å |
| 59 | I | 79.9 | Confident | 78.4 | Confident | 68 Ų | 68 | 108.5 Ų | 108.5 | 35% | 0.349 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.2 | -70.2 | 164 | 0 | 0 | 0 | 110.6 | K55 Q56 E57 D62 Q63 | K55-I59 HydrophobicContact CG-CD1 4.41Å; K55-I59 WeakPolarHBondContact O-CD1 3.48Å; K55-I59 VanDerWaalsContact O-CG1 3.24Å; K55-I59 WeakPolarHBondContact O-CG1 3.44Å; K55-I59 PolarHBondContact O-N 3.37Å; K55-I59 VanDerWaalsContact O-N 3.13Å; Q56-I59 WeakPolarHBondContact O-CB 3.25Å; Q56-I59 PolarHBondContact O-N 2.79Å; Q56-I59 VanDerWaalsContact O-N 3.15Å; E57-I59 VanDerWaalsContact C-N 3.35Å; E57-I59 PolarHBondContact O-N 2.92Å; I59-D62 PolarHBondContact O-N 3.31Å; I59-Q63 HydrophobicContact CG2-CG 4.38Å; I59-Q63 WeakPolarHBondContact O-CB 3.49Å; I59-Q63 VanDerWaalsContact O-CG 3.23Å; I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 3.49Å |
| 60 | E | 78.9 | Confident | 78 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 178.1 | -71.7 | 172.7 | -167.3 | 0 | 0 | 111.9 | Q56 E57 L58 Q63 S64 | Q56-E60 WeakPolarHBondContact O-CG 3.33Å; Q56-E60 PolarHBondContact O-N 2.98Å; E57-E60 PolarHBondContact O-N 3.42Å; L58-E60 VanDerWaalsContact C-N 3.35Å; E60-Q63 PolarHBondContact O-N 3.22Å; E60-S64 WeakPolarHBondContact O-CB 3.43Å; E60-S64 PolarHBondContact O-N 3.43Å |
| 61 | V | 72.5 | Confident | 77.7 | Confident | 80 Ų | 80 | 109.7 Ų | 109.7 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | E57 L58 Q63 S64 L65 | E57-V61 WeakPolarHBondContact O-CG2 3.46Å; E57-V61 PolarHBondContact O-N 3.47Å; L58-V61 PolarHBondContact O-N 3.08Å; V61-Q63 VanDerWaalsContact C-N 3.31Å; V61-Q63 PolarHBondContact O-N 2.99Å; V61-S64 PolarHBondContact O-N 3.07Å; V61-S64 PolarHBondContact O-OG 3.14Å; V61-L65 PolarHBondContact O-N 2.98Å |
| 62 | D | 72.7 | Confident | 77.3 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -34.6 | -179.1 | -159.3 | 42.6 | 0 | 0 | 0 | 112.2 | L58 I59 S64 P66 | L58-D62 VanDerWaalsContact O-CB 3.3Å; L58-D62 WeakPolarHBondContact O-CB 3.35Å; L58-D62 PolarHBondContact O-N 2.9Å; I59-D62 PolarHBondContact O-N 3.31Å; D62-S64 VanDerWaalsContact C-N 3.34Å; D62-P66 WeakPolarHBondContact O-CD 3.35Å |
| 63 | Q | 79.1 | Confident | 77.1 | Confident | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70 | -28.3 | 171.9 | -73.4 | 176.9 | 8.4 | 0 | 0 | 113.3 | I59 E60 V61 | I59-Q63 HydrophobicContact CG2-CG 4.38Å; I59-Q63 WeakPolarHBondContact O-CB 3.49Å; I59-Q63 VanDerWaalsContact O-CG 3.23Å; I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 3.49Å; E60-Q63 PolarHBondContact O-N 3.22Å; V61-Q63 VanDerWaalsContact C-N 3.31Å; V61-Q63 PolarHBondContact O-N 2.99Å |
| 64 | S | 73.6 | Confident | 77.4 | Confident | 44 Ų | 44 | 110.1 Ų | 110.1 | 31% | 0.308 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -80.3 | -29.5 | 178.3 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | E60 V61 D62 R67 M68 | E60-S64 WeakPolarHBondContact O-CB 3.43Å; E60-S64 PolarHBondContact O-N 3.43Å; V61-S64 PolarHBondContact O-N 3.07Å; V61-S64 PolarHBondContact O-OG 3.14Å; D62-S64 VanDerWaalsContact C-N 3.34Å; S64-R67 WeakPolarHBondContact O-CB 3.33Å; S64-R67 PolarHBondContact O-N 3.48Å; S64-R67 VanDerWaalsContact O-N 3.09Å; S64-M68 PolarHBondContact O-N 2.88Å |
| 65 | L | 68.7 | Low | 77.1 | Confident | 87 Ų | 87 | 109.1 Ų | 109.1 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.4 | -46.3 | -177 | -85.3 | 170.6 | 0 | 0 | 0 | 113.5 | V61 R67 M68 R69 | V61-L65 PolarHBondContact O-N 2.98Å; L65-R67 VanDerWaalsContact C-N 3.31Å; L65-R67 PolarHBondContact O-N 3.4Å; L65-M68 HydrophobicContact CD2-CE 3.85Å; L65-M68 HydrophobicContact CG-CE 4.37Å; L65-M68 PolarHBondContact O-N 3.37Å; L65-R69 WeakPolarHBondContact O-CB 3.5Å; L65-R69 PolarHBondContact O-N 3.42Å |
| 66 | P | 77.6 | Confident | 76.8 | Confident | 78 Ų | 78 | 106.8 Ų | 106.8 | 51% | 0.506 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 175 | -27.3 | 34.3 | 0 | 0 | 0 | 112.9 | D62 R69 T70 | D62-P66 WeakPolarHBondContact O-CD 3.35Å; P66-R69 PolarHBondContact O-N 2.89Å; P66-T70 PolarHBondContact O-N 2.97Å; P66-T70 PolarHBondContact O-OG1 2.94Å; P66-T70 VanDerWaalsContact O-OG1 3.06Å |
| 67 | R | 74.3 | Confident | 77 | Confident | 203 Ų | 203 | 107 Ų | 107 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 178.8 | -65.4 | -176.8 | -179.8 | -179.9 | 1.2 | 111.4 | S64 L65 R69 T70 Y71 | S64-R67 WeakPolarHBondContact O-CB 3.33Å; S64-R67 PolarHBondContact O-N 3.48Å; S64-R67 VanDerWaalsContact O-N 3.09Å; L65-R67 VanDerWaalsContact C-N 3.31Å; L65-R67 PolarHBondContact O-N 3.4Å; R67-R69 VanDerWaalsContact C-N 3.33Å; R67-R69 PolarHBondContact O-N 3.08Å; R67-T70 PolarHBondContact O-N 2.94Å; R67-Y71 PolarHBondContact O-N 3.46Å |
| 68 | M | 71.1 | Confident | 77 | Confident | 107 Ų | 107 | 104.7 Ų | 104.7 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -40 | 175.2 | -69.3 | -165.5 | -64.4 | 0 | 0 | 111.7 | S64 L65 Y71 A72 | S64-M68 PolarHBondContact O-N 2.88Å; L65-M68 HydrophobicContact CD2-CE 3.85Å; L65-M68 HydrophobicContact CG-CE 4.37Å; L65-M68 PolarHBondContact O-N 3.37Å; M68-Y71 PolarHBondContact O-N 3.37Å; M68-A72 WeakPolarHBondContact O-CB 3.41Å; M68-A72 PolarHBondContact O-N 2.85Å |
| 69 | R | 76.5 | Confident | 76.9 | Confident | 188 Ų | 188 | 101.6 Ų | 101.6 | 71% | 0.709 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 176 | -174 | 177 | -87.4 | 175.1 | -6 | 111.8 | L65 P66 R67 A72 N73 | L65-R69 WeakPolarHBondContact O-CB 3.5Å; L65-R69 PolarHBondContact O-N 3.42Å; P66-R69 PolarHBondContact O-N 2.89Å; R67-R69 VanDerWaalsContact C-N 3.33Å; R67-R69 PolarHBondContact O-N 3.08Å; R69-A72 PolarHBondContact O-N 3.22Å; R69-N73 WeakPolarHBondContact O-CB 3.49Å; R69-N73 VanDerWaalsContact O-CG 3.26Å; R69-N73 PolarHBondContact O-N 3.37Å |
| 70 | T | 79.2 | Confident | 77 | Confident | 99 Ų | 99 | 103.2 Ų | 103.2 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 172.9 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | P66 R67 N73 K74 | P66-T70 PolarHBondContact O-N 2.97Å; P66-T70 PolarHBondContact O-OG1 2.94Å; P66-T70 VanDerWaalsContact O-OG1 3.06Å; R67-T70 PolarHBondContact O-N 2.94Å; T70-N73 PolarHBondContact O-N 3Å; T70-K74 PolarHBondContact O-N 3.3Å |
| 71 | Y | 77 | Confident | 77.2 | Confident | 152 Ų | 152 | 101.6 Ų | 101.6 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 177.5 | -173.9 | -103.5 | 0 | 0 | 0 | 112.2 | R67 M68 K74 L75 | R67-Y71 PolarHBondContact O-N 3.46Å; M68-Y71 PolarHBondContact O-N 3.37Å; Y71-K74 WeakPolarHBondContact O-CB 3.35Å; Y71-K74 PolarHBondContact O-N 2.73Å; Y71-L75 HydrophobicContact CD1-CD1 3.87Å; Y71-L75 HydrophobicContact CD1-CG 4.39Å; Y71-L75 HydrophobicContact CE1-CD1 3.42Å; Y71-L75 VanDerWaalsContact CE1-CD1 3.42Å; Y71-L75 HydrophobicContact CE1-CG 4.02Å; Y71-L75 PolarHBondContact O-N 3.39Å |
| 72 | A | 70 | Confident | 77.5 | Confident | 44 Ų | 44 | 102.5 Ų | 102.5 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M68 R69 K74 L75 I76 | M68-A72 WeakPolarHBondContact O-CB 3.41Å; M68-A72 PolarHBondContact O-N 2.85Å; R69-A72 PolarHBondContact O-N 3.22Å; A72-K74 VanDerWaalsContact C-N 3.3Å; A72-K74 PolarHBondContact O-N 3.47Å; A72-L75 PolarHBondContact O-N 3.02Å; A72-I76 WeakPolarHBondContact O-CG1 3.49Å; A72-I76 PolarHBondContact O-N 3.21Å |
| 73 | N | 83 | Confident | 77.8 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 175.9 | -72.2 | -10.9 | 0 | 0 | 0 | 112 | R69 T70 I76 H77 | R69-N73 WeakPolarHBondContact O-CB 3.49Å; R69-N73 VanDerWaalsContact O-CG 3.26Å; R69-N73 PolarHBondContact O-N 3.37Å; T70-N73 PolarHBondContact O-N 3Å; N73-I76 PolarHBondContact O-N 3.34Å; N73-H77 PolarHBondContact O-N 3.36Å |
| 74 | K | 85.8 | Confident | 77.9 | Confident | 126 Ų | 126 | 102.4 Ų | 102.4 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 174.2 | -171.9 | -177.1 | 176.5 | -174.6 | 0 | 111.3 | T70 Y71 A72 I76 H77 D78 | T70-K74 PolarHBondContact O-N 3.3Å; Y71-K74 WeakPolarHBondContact O-CB 3.35Å; Y71-K74 PolarHBondContact O-N 2.73Å; A72-K74 VanDerWaalsContact C-N 3.3Å; A72-K74 PolarHBondContact O-N 3.47Å; K74-I76 VanDerWaalsContact C-N 3.31Å; K74-I76 PolarHBondContact O-N 2.92Å; K74-H77 PolarHBondContact O-N 3.33Å; K74-H77 VanDerWaalsContact O-N 3.17Å; K74-D78 WeakPolarHBondContact O-CB 3.5Å; K74-D78 PolarHBondContact O-N 3.49Å |
| 75 | L | 75.7 | Confident | 78.2 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 176.9 | -75.3 | 175 | 0 | 0 | 0 | 112.8 | Y71 A72 S79 | Y71-L75 HydrophobicContact CD1-CD1 3.87Å; Y71-L75 HydrophobicContact CD1-CG 4.39Å; Y71-L75 HydrophobicContact CE1-CD1 3.42Å; Y71-L75 VanDerWaalsContact CE1-CD1 3.42Å; Y71-L75 HydrophobicContact CE1-CG 4.02Å; Y71-L75 PolarHBondContact O-N 3.39Å; A72-L75 PolarHBondContact O-N 3.02Å; L75-S79 WeakPolarHBondContact O-CB 3.47Å; L75-S79 PolarHBondContact O-N 3.06Å |
| 76 | I | 79.2 | Confident | 78.6 | Confident | 97 Ų | 97 | 106 Ų | 106 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175 | -68.7 | 165.5 | 0 | 0 | 0 | 110.4 | A72 N73 K74 S79 Q80 | A72-I76 WeakPolarHBondContact O-CG1 3.49Å; A72-I76 PolarHBondContact O-N 3.21Å; N73-I76 PolarHBondContact O-N 3.34Å; K74-I76 VanDerWaalsContact C-N 3.31Å; K74-I76 PolarHBondContact O-N 2.92Å; I76-S79 WeakPolarHBondContact O-CB 3.42Å; I76-S79 PolarHBondContact O-N 2.89Å; I76-Q80 WeakPolarHBondContact O-CG 3.31Å; I76-Q80 PolarHBondContact O-N 3.29Å |
| 77 | H | 83.7 | Confident | 78.8 | Confident | 108 Ų | 108 | 106.1 Ų | 106.1 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 178 | -176 | 53 | 0 | 0 | 0 | 112.1 | N73 K74 S79 Q80 M81 | N73-H77 PolarHBondContact O-N 3.36Å; K74-H77 PolarHBondContact O-N 3.33Å; K74-H77 VanDerWaalsContact O-N 3.17Å; H77-S79 VanDerWaalsContact C-N 3.27Å; H77-S79 PolarHBondContact O-N 2.89Å; H77-Q80 PolarHBondContact O-N 3.34Å; H77-Q80 VanDerWaalsContact O-N 3.16Å; H77-M81 WeakPolarHBondContact O-CG 3.35Å; H77-M81 PolarHBondContact O-N 3.15Å |
| 78 | D | 80.5 | Confident | 79.2 | Confident | 58 Ų | 58 | 100.2 Ų | 100.2 | 31% | 0.31 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 176.5 | -65.2 | -11.4 | 0 | 0 | 0 | 110.5 | K74 M81 F82 | K74-D78 WeakPolarHBondContact O-CB 3.5Å; K74-D78 PolarHBondContact O-N 3.49Å; D78-M81 PolarHBondContact O-N 2.84Å; D78-F82 HydrophobicContact CB-CE2 4.45Å; D78-F82 WeakPolarHBondContact O-CD2 3.39Å; D78-F82 WeakPolarHBondContact O-CG 3.38Å; D78-F82 PolarHBondContact O-N 3.1Å |
| 79 | S | 75.6 | Confident | 79.6 | Confident | 58 Ų | 58 | 99.1 Ų | 99.1 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175 | -169.5 | 0 | 0 | 0 | 0 | 112.9 | L75 I76 H77 F82 E83 | L75-S79 WeakPolarHBondContact O-CB 3.47Å; L75-S79 PolarHBondContact O-N 3.06Å; I76-S79 WeakPolarHBondContact O-CB 3.42Å; I76-S79 PolarHBondContact O-N 2.89Å; H77-S79 VanDerWaalsContact C-N 3.27Å; H77-S79 PolarHBondContact O-N 2.89Å; S79-F82 PolarHBondContact O-N 3.32Å; S79-E83 WeakPolarHBondContact O-CG 3.47Å; S79-E83 PolarHBondContact O-N 2.82Å |
| 80 | Q | 81.8 | Confident | 79.8 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.4 | -72.5 | 172.1 | -24 | 0 | 0 | 111.4 | I76 H77 F82 E83 E84 | I76-Q80 WeakPolarHBondContact O-CG 3.31Å; I76-Q80 PolarHBondContact O-N 3.29Å; H77-Q80 PolarHBondContact O-N 3.34Å; H77-Q80 VanDerWaalsContact O-N 3.16Å; Q80-F82 VanDerWaalsContact C-N 3.33Å; Q80-F82 PolarHBondContact O-N 2.93Å; Q80-E83 PolarHBondContact O-N 3.41Å; Q80-E84 PolarHBondContact O-N 3.36Å |
| 81 | M | 82.6 | Confident | 80.1 | Confident | 75 Ų | 75 | 96.4 Ų | 96.4 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.5 | -69.2 | -59.8 | -51.6 | 0 | 0 | 111.6 | H77 D78 E83 E84 E85 | H77-M81 WeakPolarHBondContact O-CG 3.35Å; H77-M81 PolarHBondContact O-N 3.15Å; D78-M81 PolarHBondContact O-N 2.84Å; M81-E83 VanDerWaalsContact C-N 3.35Å; M81-E83 PolarHBondContact O-N 3.39Å; M81-E84 PolarHBondContact O-N 2.86Å; M81-E85 WeakPolarHBondContact O-CG 3.44Å; M81-E85 PolarHBondContact O-N 2.96Å |
| 82 | F | 80.3 | Confident | 80.2 | Confident | 99 Ų | 99 | 95 Ų | 95 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 176 | -70.7 | -51.2 | 0 | 0 | 0 | 113.3 | D78 S79 Q80 L86 | D78-F82 HydrophobicContact CB-CE2 4.45Å; D78-F82 WeakPolarHBondContact O-CD2 3.39Å; D78-F82 WeakPolarHBondContact O-CG 3.38Å; D78-F82 PolarHBondContact O-N 3.1Å; S79-F82 PolarHBondContact O-N 3.32Å; Q80-F82 VanDerWaalsContact C-N 3.33Å; Q80-F82 PolarHBondContact O-N 2.93Å; F82-L86 VanDerWaalsContact O-CB 3.32Å; F82-L86 WeakPolarHBondContact O-CB 3.37Å; F82-L86 WeakPolarHBondContact O-CG 3.44Å; F82-L86 PolarHBondContact O-N 3.46Å |
| 83 | E | 78.4 | Confident | 80.6 | Confident | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.3 | -37.4 | 174.8 | -74.4 | 175.9 | -179.2 | 0 | 0 | 112.1 | S79 Q80 M81 S87 | S79-E83 WeakPolarHBondContact O-CG 3.47Å; S79-E83 PolarHBondContact O-N 2.82Å; Q80-E83 PolarHBondContact O-N 3.41Å; M81-E83 VanDerWaalsContact C-N 3.35Å; M81-E83 PolarHBondContact O-N 3.39Å; E83-S87 WeakPolarHBondContact O-CB 3.38Å; E83-S87 PolarHBondContact O-N 3.36Å; E83-S87 PolarHBondContact O-OG 3.28Å |
| 84 | E | 81 | Confident | 80.7 | Confident | 119 Ų | 119 | 97.8 Ų | 97.8 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | 174.6 | -71.4 | 179.7 | -176.9 | 0 | 0 | 112 | Q80 M81 S87 T88 | Q80-E84 PolarHBondContact O-N 3.36Å; M81-E84 PolarHBondContact O-N 2.86Å; E84-S87 PolarHBondContact O-N 3.25Å; E84-T88 PolarHBondContact O-N 2.94Å; E84-T88 PolarHBondContact O-OG1 2.99Å |
| 85 | E | 80.1 | Confident | 80.7 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 174.8 | -74.6 | 178 | 178.7 | 0 | 0 | 111.4 | M81 S87 T88 V89 | M81-E85 WeakPolarHBondContact O-CG 3.44Å; M81-E85 PolarHBondContact O-N 2.96Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 2.93Å; E85-T88 WeakPolarHBondContact O-CB 3.39Å; E85-T88 PolarHBondContact O-N 2.91Å; E85-V89 WeakPolarHBondContact O-CG2 3.44Å; E85-V89 PolarHBondContact O-N 3.41Å |
| 86 | L | 75.9 | Confident | 81 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 175.6 | -82.5 | 167.8 | 0 | 0 | 0 | 111.5 | F82 T88 V89 F90 | F82-L86 VanDerWaalsContact O-CB 3.32Å; F82-L86 WeakPolarHBondContact O-CB 3.37Å; F82-L86 WeakPolarHBondContact O-CG 3.44Å; F82-L86 PolarHBondContact O-N 3.46Å; L86-T88 VanDerWaalsContact C-N 3.28Å; L86-T88 PolarHBondContact O-N 3.01Å; L86-V89 PolarHBondContact O-N 3.31Å; L86-F90 HydrophobicContact CD2-CE2 4.47Å; L86-F90 WeakPolarHBondContact O-CD2 3.37Å; L86-F90 PolarHBondContact O-N 3.5Å |
| 87 | S | 82.8 | Confident | 81.2 | Confident | 79 Ų | 79 | 94.7 Ų | 94.7 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | E83 E84 E85 F90 E91 | E83-S87 WeakPolarHBondContact O-CB 3.38Å; E83-S87 PolarHBondContact O-N 3.36Å; E83-S87 PolarHBondContact O-OG 3.28Å; E84-S87 PolarHBondContact O-N 3.25Å; E85-S87 VanDerWaalsContact C-N 3.32Å; E85-S87 PolarHBondContact O-N 2.93Å; S87-F90 PolarHBondContact O-N 3.31Å; S87-E91 PolarHBondContact O-N 3.39Å; S87-E91 VanDerWaalsContact O-N 3.11Å |
| 88 | T | 82.3 | Confident | 81.4 | Confident | 80 Ų | 80 | 93.2 Ų | 93.2 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | E84 E85 L86 E91 Q92 | E84-T88 PolarHBondContact O-N 2.94Å; E84-T88 PolarHBondContact O-OG1 2.99Å; E85-T88 WeakPolarHBondContact O-CB 3.39Å; E85-T88 PolarHBondContact O-N 2.91Å; L86-T88 VanDerWaalsContact C-N 3.28Å; L86-T88 PolarHBondContact O-N 3.01Å; T88-E91 PolarHBondContact O-N 3.24Å; T88-Q92 WeakPolarHBondContact O-CG 3.47Å; T88-Q92 PolarHBondContact O-N 2.91Å |
| 89 | V | 80.9 | Confident | 81.5 | Confident | 83 Ų | 83 | 95.9 Ų | 95.9 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | E85 L86 E91 Q92 L93 | E85-V89 WeakPolarHBondContact O-CG2 3.44Å; E85-V89 PolarHBondContact O-N 3.41Å; L86-V89 PolarHBondContact O-N 3.31Å; V89-E91 PolarHBondContact O-N 3.02Å; V89-Q92 PolarHBondContact O-N 2.95Å; V89-L93 WeakPolarHBondContact O-CB 3.41Å; V89-L93 PolarHBondContact O-N 3.1Å |
| 90 | F | 80 | Confident | 81.8 | Confident | 135 Ų | 135 | 97.7 Ų | 97.7 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 175.9 | -83.9 | -64.9 | 0 | 0 | 0 | 112.4 | L86 S87 L93 K94 | L86-F90 HydrophobicContact CD2-CE2 4.47Å; L86-F90 WeakPolarHBondContact O-CD2 3.37Å; L86-F90 PolarHBondContact O-N 3.5Å; S87-F90 PolarHBondContact O-N 3.31Å; F90-L93 PolarHBondContact O-N 2.89Å; F90-K94 WeakPolarHBondContact O-CB 3.45Å; F90-K94 PolarHBondContact O-N 3.28Å |
| 91 | E | 84.3 | Confident | 82 | Confident | 96 Ų | 96 | 97.2 Ų | 97.2 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 176.2 | -164.6 | 62.4 | -155.7 | 0 | 0 | 111.5 | S87 T88 V89 K94 N95 | S87-E91 PolarHBondContact O-N 3.39Å; S87-E91 VanDerWaalsContact O-N 3.11Å; T88-E91 PolarHBondContact O-N 3.24Å; V89-E91 PolarHBondContact O-N 3.02Å; E91-K94 PolarHBondContact O-N 3.37Å; E91-N95 VanDerWaalsContact O-CG 3.29Å; E91-N95 PolarHBondContact O-N 3.05Å; E91-N95 PolarHBondContact O-ND2 2.96Å |
| 92 | Q | 80.9 | Confident | 82.2 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 172.8 | -73.3 | 175.7 | -8.6 | 0 | 0 | 112.2 | T88 V89 K94 N95 A96 | T88-Q92 WeakPolarHBondContact O-CG 3.47Å; T88-Q92 PolarHBondContact O-N 2.91Å; V89-Q92 PolarHBondContact O-N 2.95Å; Q92-K94 VanDerWaalsContact C-N 3.35Å; Q92-K94 PolarHBondContact O-N 3.21Å; Q92-N95 PolarHBondContact O-N 3.2Å; Q92-A96 PolarHBondContact O-N 3.47Å |
| 93 | L | 78.3 | Confident | 82.3 | Confident | 91 Ų | 91 | 95.4 Ų | 95.4 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.8 | -179 | 66.2 | 0 | 0 | 0 | 111.1 | V89 F90 N95 A96 E97 | V89-L93 WeakPolarHBondContact O-CB 3.41Å; V89-L93 PolarHBondContact O-N 3.1Å; F90-L93 PolarHBondContact O-N 2.89Å; L93-N95 VanDerWaalsContact C-N 3.33Å; L93-N95 PolarHBondContact O-N 3.27Å; L93-A96 WeakPolarHBondContact O-CB 3.48Å; L93-A96 PolarHBondContact O-N 3.22Å; L93-E97 WeakPolarHBondContact O-CG 3.34Å; L93-E97 PolarHBondContact O-N 3.39Å |
| 94 | K | 85 | Confident | 82.7 | Confident | 109 Ų | 109 | 94.1 Ų | 94.1 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.4 | -175.4 | -176.3 | 172.8 | -163.3 | 0 | 112.1 | F90 E91 Q92 E97 I98 | F90-K94 WeakPolarHBondContact O-CB 3.45Å; F90-K94 PolarHBondContact O-N 3.28Å; E91-K94 PolarHBondContact O-N 3.37Å; Q92-K94 VanDerWaalsContact C-N 3.35Å; Q92-K94 PolarHBondContact O-N 3.21Å; K94-E97 PolarHBondContact O-N 3.41Å; K94-I98 HydrophobicContact CG-CD1 4.48Å; K94-I98 WeakPolarHBondContact O-CG1 3.43Å; K94-I98 PolarHBondContact O-N 2.72Å |
| 95 | N | 86 | Confident | 83.1 | Confident | 77 Ų | 77 | 95.2 Ų | 95.2 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 175.3 | -70.5 | -30.1 | 0 | 0 | 0 | 112 | E91 Q92 L93 I98 L99 | E91-N95 VanDerWaalsContact O-CG 3.29Å; E91-N95 PolarHBondContact O-N 3.05Å; E91-N95 PolarHBondContact O-ND2 2.96Å; Q92-N95 PolarHBondContact O-N 3.2Å; L93-N95 VanDerWaalsContact C-N 3.33Å; L93-N95 PolarHBondContact O-N 3.27Å; N95-I98 PolarHBondContact O-N 3.26Å; N95-L99 WeakPolarHBondContact O-CG 3.24Å; N95-L99 PolarHBondContact O-N 3.13Å |
| 96 | A | 81.5 | Confident | 83.5 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q92 L93 L99 N100 | Q92-A96 PolarHBondContact O-N 3.47Å; L93-A96 WeakPolarHBondContact O-CB 3.48Å; L93-A96 PolarHBondContact O-N 3.22Å; A96-L99 PolarHBondContact O-N 3.48Å; A96-N100 WeakPolarHBondContact O-CB 3.48Å; A96-N100 PolarHBondContact O-N 3.47Å |
| 97 | E | 83.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 96.8 Ų | 96.8 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.9 | -74.3 | 177.2 | 171.2 | 0 | 0 | 112 | L93 K94 N100 E101 | L93-E97 WeakPolarHBondContact O-CG 3.34Å; L93-E97 PolarHBondContact O-N 3.39Å; K94-E97 PolarHBondContact O-N 3.41Å; E97-N100 PolarHBondContact O-N 3.04Å; E97-E101 PolarHBondContact O-N 3.03Å |
| 98 | I | 86.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 98.4 Ų | 98.4 | 40% | 0.395 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -49.8 | 175.3 | -67.9 | 165.6 | 0 | 0 | 0 | 110.5 | K94 N95 N100 E101 E102 | K94-I98 HydrophobicContact CG-CD1 4.48Å; K94-I98 WeakPolarHBondContact O-CG1 3.43Å; K94-I98 PolarHBondContact O-N 2.72Å; N95-I98 PolarHBondContact O-N 3.26Å; I98-N100 VanDerWaalsContact C-N 3.29Å; I98-N100 PolarHBondContact O-N 3.41Å; I98-E101 PolarHBondContact O-N 2.99Å; I98-E102 WeakPolarHBondContact O-CG 3.46Å; I98-E102 PolarHBondContact O-N 3.38Å |
| 99 | L | 83.1 | Confident | 84.5 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -38.6 | 178.4 | -74 | 170.9 | 0 | 0 | 0 | 112.2 | N95 A96 E102 G103 | N95-L99 WeakPolarHBondContact O-CG 3.24Å; N95-L99 PolarHBondContact O-N 3.13Å; A96-L99 PolarHBondContact O-N 3.48Å; L99-E102 PolarHBondContact O-N 3.15Å; L99-G103 PolarHBondContact O-N 3.07Å |
| 100 | N | 82 | Confident | 84.7 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 177.1 | -170.4 | 25.6 | 0 | 0 | 0 | 112 | A96 E97 I98 G103 K104 | A96-N100 WeakPolarHBondContact O-CB 3.48Å; A96-N100 PolarHBondContact O-N 3.47Å; E97-N100 PolarHBondContact O-N 3.04Å; I98-N100 VanDerWaalsContact C-N 3.29Å; I98-N100 PolarHBondContact O-N 3.41Å; N100-G103 PolarHBondContact O-N 3.46Å; N100-K104 WeakPolarHBondContact O-CG 3.23Å; N100-K104 PolarHBondContact O-N 3.03Å |
| 101 | E | 85.9 | Confident | 85 | Confident | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -34.9 | 175.1 | -74.3 | -58.2 | 135.1 | 0 | 0 | 112.7 | E97 I98 K104 K105 | E97-E101 PolarHBondContact O-N 3.03Å; I98-E101 PolarHBondContact O-N 2.99Å; E101-K104 IonicContact OE1-NZ 2.75Å; E101-K104 PolarHBondContact OE1-NZ 3.45Å; E101-K105 WeakPolarHBondContact O-CG 3.49Å; E101-K105 PolarHBondContact O-N 3.36Å |
| 102 | E | 87.2 | Confident | 85 | Confident | 101 Ų | 101 | 97.1 Ų | 97.1 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 170.4 | -72.2 | 175.9 | 170.4 | 0 | 0 | 111.1 | I98 L99 K104 K105 E106 | I98-E102 WeakPolarHBondContact O-CG 3.46Å; I98-E102 PolarHBondContact O-N 3.38Å; L99-E102 PolarHBondContact O-N 3.15Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 2.88Å; E102-K105 WeakPolarHBondContact O-CB 3.5Å; E102-K105 PolarHBondContact O-N 2.9Å; E102-K105 VanDerWaalsContact O-N 3.1Å; E102-E106 PolarHBondContact O-N 3.44Å |
| 103 | G | 82.7 | Confident | 85 | Confident | 35 Ų | 35 | 96.6 Ų | 96.6 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L99 N100 E106 L107 | L99-G103 PolarHBondContact O-N 3.07Å; N100-G103 PolarHBondContact O-N 3.46Å; G103-E106 PolarHBondContact O-N 2.9Å; G103-L107 WeakPolarHBondContact O-CB 3.49Å; G103-L107 PolarHBondContact O-N 3.22Å |
| 104 | K | 86.8 | Confident | 84.9 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 40% | 0.404 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 172.7 | -76.1 | 177.1 | -167.8 | 166.6 | 0 | 112.4 | N100 E101 E102 L107 D108 | N100-K104 WeakPolarHBondContact O-CG 3.23Å; N100-K104 PolarHBondContact O-N 3.03Å; E101-K104 IonicContact OE1-NZ 2.75Å; E101-K104 PolarHBondContact OE1-NZ 3.45Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 2.88Å; K104-L107 PolarHBondContact O-N 2.99Å; K104-D108 WeakPolarHBondContact O-CB 3.3Å; K104-D108 PolarHBondContact O-N 3Å |
| 105 | K | 89.2 | Confident | 84.6 | Confident | 142 Ų | 142 | 97.6 Ų | 97.6 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 177.3 | -72.2 | 172.4 | -175.6 | 171.1 | 0 | 111.7 | E101 E102 D108 Q109 | E101-K105 WeakPolarHBondContact O-CG 3.49Å; E101-K105 PolarHBondContact O-N 3.36Å; E102-K105 WeakPolarHBondContact O-CB 3.5Å; E102-K105 PolarHBondContact O-N 2.9Å; E102-K105 VanDerWaalsContact O-N 3.1Å; K105-D108 PolarHBondContact O-N 3.26Å; K105-Q109 WeakPolarHBondContact O-CB 3.39Å; K105-Q109 PolarHBondContact O-N 3.43Å |
| 106 | E | 87.7 | Confident | 84 | Confident | 141 Ų | 141 | 96.6 Ų | 96.6 | 66% | 0.659 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 175.2 | -70.9 | -176.3 | 177.2 | 0 | 0 | 111.5 | E102 G103 Q109 L110 | E102-E106 PolarHBondContact O-N 3.44Å; G103-E106 PolarHBondContact O-N 2.9Å; E106-Q109 PolarHBondContact O-N 3.11Å; E106-L110 WeakPolarHBondContact O-CB 3.5Å; E106-L110 PolarHBondContact O-N 3.17Å |
| 107 | L | 85.3 | Confident | 83.4 | Confident | 100 Ų | 100 | 98.9 Ų | 98.9 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.1 | -178.1 | 63.5 | 0 | 0 | 0 | 111.9 | G103 K104 Q109 L110 M111 | G103-L107 WeakPolarHBondContact O-CB 3.49Å; G103-L107 PolarHBondContact O-N 3.22Å; K104-L107 PolarHBondContact O-N 2.99Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 3.47Å; L107-L110 PolarHBondContact O-N 3.41Å; L107-M111 HydrophobicContact CD1-CG 4.39Å; L107-M111 HydrophobicContact CG-CG 4.47Å; L107-M111 WeakPolarHBondContact O-CB 3.02Å; L107-M111 VanDerWaalsContact O-CG 3.24Å; L107-M111 WeakPolarHBondContact O-CG 3.3Å; L107-M111 PolarHBondContact O-N 2.89Å |
| 108 | D | 88.9 | Confident | 82.6 | Confident | 113 Ų | 113 | 99.3 Ų | 99.3 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 177 | -77.7 | -22.2 | 0 | 0 | 0 | 111.4 | K104 K105 M111 A112 | K104-D108 WeakPolarHBondContact O-CB 3.3Å; K104-D108 PolarHBondContact O-N 3Å; K105-D108 PolarHBondContact O-N 3.26Å; D108-M111 PolarHBondContact O-N 3.03Å; D108-A112 PolarHBondContact O-N 2.89Å |
| 109 | Q | 88.6 | Confident | 81.5 | Confident | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -45.9 | 175.2 | -177 | 165.8 | -4.5 | 0 | 0 | 111.7 | K105 E106 L107 M111 A112 E113 | K105-Q109 WeakPolarHBondContact O-CB 3.39Å; K105-Q109 PolarHBondContact O-N 3.43Å; E106-Q109 PolarHBondContact O-N 3.11Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 3.47Å; Q109-M111 VanDerWaalsContact C-N 3.31Å; Q109-M111 PolarHBondContact O-N 3.28Å; Q109-A112 WeakPolarHBondContact O-CB 3.31Å; Q109-A112 PolarHBondContact O-N 3.24Å; Q109-A112 VanDerWaalsContact O-N 3.15Å; Q109-E113 PolarHBondContact O-N 3.06Å |
| 110 | L | 85.7 | Confident | 80.5 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.3 | -161.7 | 93.2 | 0 | 0 | 0 | 111.3 | E106 L107 A112 E113 V114 | E106-L110 WeakPolarHBondContact O-CB 3.5Å; E106-L110 PolarHBondContact O-N 3.17Å; L107-L110 PolarHBondContact O-N 3.41Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.6Å; L110-E113 PolarHBondContact O-N 3.04Å; L110-V114 WeakPolarHBondContact O-CG2 3.38Å; L110-V114 PolarHBondContact O-N 3.39Å |
| 111 | M | 85.4 | Confident | 79.1 | Confident | 85 Ų | 85 | 102.4 Ų | 102.4 | 42% | 0.419 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 176.6 | -72.7 | -61.9 | -61.6 | 0 | 0 | 112.2 | L107 D108 Q109 R115 | L107-M111 HydrophobicContact CD1-CG 4.39Å; L107-M111 HydrophobicContact CG-CG 4.47Å; L107-M111 WeakPolarHBondContact O-CB 3.02Å; L107-M111 VanDerWaalsContact O-CG 3.24Å; L107-M111 WeakPolarHBondContact O-CG 3.3Å; L107-M111 PolarHBondContact O-N 2.89Å; D108-M111 PolarHBondContact O-N 3.03Å; Q109-M111 VanDerWaalsContact C-N 3.31Å; Q109-M111 PolarHBondContact O-N 3.28Å; M111-R115 WeakPolarHBondContact O-CG 3.37Å; M111-R115 PolarHBondContact O-N 3.44Å |
| 112 | A | 84.6 | Confident | 77.8 | Confident | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D108 Q109 L110 R115 A116 | D108-A112 PolarHBondContact O-N 2.89Å; Q109-A112 WeakPolarHBondContact O-CB 3.31Å; Q109-A112 PolarHBondContact O-N 3.24Å; Q109-A112 VanDerWaalsContact O-N 3.15Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.6Å; A112-R115 PolarHBondContact O-N 3.38Å; A112-A116 PolarHBondContact O-N 3.02Å |
| 113 | E | 81 | Confident | 76.7 | Confident | 112 Ų | 112 | 100.9 Ų | 100.9 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.7 | -70.6 | 176.9 | -166.9 | 0 | 0 | 111.9 | Q109 L110 A116 V117 | Q109-E113 PolarHBondContact O-N 3.06Å; L110-E113 PolarHBondContact O-N 3.04Å; E113-A116 PolarHBondContact O-N 3.44Å; E113-V117 WeakPolarHBondContact O-CG2 3.47Å; E113-V117 PolarHBondContact O-N 3.35Å; E113-V117 VanDerWaalsContact O-N 3.08Å |
| 114 | V | 76.4 | Confident | 75.9 | Confident | 67 Ų | 67 | 106.3 Ų | 106.3 | 41% | 0.406 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L110 A116 V117 D118 | L110-V114 WeakPolarHBondContact O-CG2 3.38Å; L110-V114 PolarHBondContact O-N 3.39Å; V114-A116 VanDerWaalsContact C-N 3.3Å; V114-A116 PolarHBondContact O-N 2.94Å; V114-V117 WeakPolarHBondContact O-CB 3.49Å; V114-V117 PolarHBondContact O-N 2.96Å; V114-D118 PolarHBondContact O-N 2.9Å |
| 115 | R | 77.8 | Confident | 75.2 | Confident | 154 Ų | 154 | 109.8 Ų | 109.8 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.8 | -39.5 | 174.8 | -75.6 | -175.8 | -149.5 | 171.6 | 8.4 | 112.4 | M111 A112 V117 D118 E119 | M111-R115 WeakPolarHBondContact O-CG 3.37Å; M111-R115 PolarHBondContact O-N 3.44Å; A112-R115 PolarHBondContact O-N 3.38Å; R115-V117 PolarHBondContact O-N 3.46Å; R115-D118 PolarHBondContact O-N 2.89Å; R115-E119 VanDerWaalsContact O-CB 3.27Å; R115-E119 WeakPolarHBondContact O-CB 3.4Å; R115-E119 WeakPolarHBondContact O-CG 3.37Å; R115-E119 PolarHBondContact O-N 2.7Å |
| 116 | A | 74.5 | Confident | 74.5 | Confident | 57 Ų | 57 | 107.6 Ų | 107.6 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -28.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A112 E113 V114 A120 | A112-A116 PolarHBondContact O-N 3.02Å; E113-A116 PolarHBondContact O-N 3.44Å; V114-A116 VanDerWaalsContact C-N 3.3Å; V114-A116 PolarHBondContact O-N 2.94Å; A116-A120 VanDerWaalsContact O-CB 3.25Å; A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 2.8Å |
| 117 | V | 68.8 | Low | 73.9 | Confident | 100 Ų | 100 | 105.4 Ų | 105.4 | 61% | 0.606 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.6 | -38.2 | 172.5 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | E113 V114 R115 A120 | E113-V117 WeakPolarHBondContact O-CG2 3.47Å; E113-V117 PolarHBondContact O-N 3.35Å; E113-V117 VanDerWaalsContact O-N 3.08Å; V114-V117 WeakPolarHBondContact O-CB 3.49Å; V114-V117 PolarHBondContact O-N 2.96Å; R115-V117 PolarHBondContact O-N 3.46Å; V117-A120 WeakPolarHBondContact O-CB 3.44Å; V117-A120 PolarHBondContact O-N 3.48Å |
| 118 | D | 65.5 | Low | 73.6 | Confident | 124 Ų | 124 | 105.1 Ų | 105.1 | 66% | 0.663 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.8 | -35.2 | 175.1 | -73.2 | -20.2 | 0 | 0 | 0 | 112 | V114 R115 | V114-D118 PolarHBondContact O-N 2.9Å; R115-D118 PolarHBondContact O-N 2.89Å |
| 119 | E | 64.2 | Low | 73.1 | Confident | 154 Ų | 154 | 102 Ų | 102 | 72% | 0.72 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -80.5 | -21 | 174.8 | -73.6 | 177.3 | -172.1 | 0 | 0 | 112.8 | R115 D121 | R115-E119 VanDerWaalsContact O-CB 3.27Å; R115-E119 WeakPolarHBondContact O-CB 3.4Å; R115-E119 WeakPolarHBondContact O-CG 3.37Å; R115-E119 PolarHBondContact O-N 2.7Å; E119-D121 PolarHBondContact O-N 3.35Å |
| 120 | A | 62 | Low | 72.8 | Confident | 51 Ų | 51 | 100.1 Ų | 100.1 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -66.3 | 88 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106 | A116 V117 I122 | A116-A120 VanDerWaalsContact O-CB 3.25Å; A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 2.8Å; V117-A120 WeakPolarHBondContact O-CB 3.44Å; V117-A120 PolarHBondContact O-N 3.48Å; A120-I122 PolarHBondContact O-N 3.31Å |
| 121 | D | 52.2 | Low | 72.6 | Confident | 148 Ų | 148 | 98 Ų | 98 | 79% | 0.791 | 52% | 0.516 | S | S | * | . | trans | -60.7 | 67 | 172.7 | -133 | -0 | 0 | 0 | 0 | 107.6 | E119 D123 | E119-D121 PolarHBondContact O-N 3.35Å; D121-D123 PolarHBondContact O-N 3.45Å | ||
| 122 | I | 58.7 | Low | 72.6 | Confident | 85 Ų | 85 | 97.6 Ų | 97.6 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | trans | -66.3 | 90.3 | 157.3 | -59.5 | 176.8 | 0 | 0 | 0 | 101.4 | A120 F124 M127 | A120-I122 PolarHBondContact O-N 3.31Å; I122-F124 HydrophobicContact CB-CD2 4.4Å; I122-F124 HydrophobicContact CB-CE2 4.08Å; I122-F124 HydrophobicContact CB-CZ 4.36Å; I122-F124 HydrophobicContact CG2-CD1 4.31Å; I122-F124 HydrophobicContact CG2-CD2 4.29Å; I122-F124 HydrophobicContact CG2-CE1 4.11Å; I122-F124 HydrophobicContact CG2-CE2 4.09Å; I122-F124 HydrophobicContact CG2-CG 4.4Å; I122-F124 HydrophobicContact CG2-CZ 4Å; I122-F124 WeakPolarHBondContact O-CD2 3.42Å; I122-F124 PolarHBondContact O-N 3.03Å; I122-M127 HydrophobicContact CG2-CE 3.69Å | ||
| 123 | D | 64.9 | Low | 72.7 | Confident | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | trans | -63.4 | 86.3 | 177.1 | -173.4 | -13.6 | 0 | 0 | 0 | 106.3 | D121 E125 Q126 M127 | D121-D123 PolarHBondContact O-N 3.45Å; D123-E125 PolarHBondContact O-N 3.29Å; D123-E125 WeakPolarHBondContact OD1-CA 3.42Å; D123-E125 WeakPolarHBondContact OD1-CB 3.38Å; D123-E125 PolarHBondContact OD1-N 2.89Å; D123-E125 VanDerWaalsContact OD1-N 3.17Å; D123-Q126 HydrophobicContact CB-CB 3.72Å; D123-Q126 PolarHBondContact O-N 3.14Å; D123-Q126 PolarHBondContact OD1-N 3.24Å; D123-Q126 WeakPolarHBondContact OD2-CB 3.4Å; D123-M127 PolarHBondContact O-N 2.88Å | ||
| 124 | F | 66.8 | Low | 72.8 | Confident | 149 Ų | 149 | 98.2 Ų | 98.2 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -26.2 | -179.6 | -79 | -77.1 | 0 | 0 | 0 | 109.2 | I122 Q128 | I122-F124 HydrophobicContact CB-CD2 4.4Å; I122-F124 HydrophobicContact CB-CE2 4.08Å; I122-F124 HydrophobicContact CB-CZ 4.36Å; I122-F124 HydrophobicContact CG2-CD1 4.31Å; I122-F124 HydrophobicContact CG2-CD2 4.29Å; I122-F124 HydrophobicContact CG2-CE1 4.11Å; I122-F124 HydrophobicContact CG2-CE2 4.09Å; I122-F124 HydrophobicContact CG2-CG 4.4Å; I122-F124 HydrophobicContact CG2-CZ 4Å; I122-F124 WeakPolarHBondContact O-CD2 3.42Å; I122-F124 PolarHBondContact O-N 3.03Å; F124-Q128 WeakPolarHBondContact O-CB 3.38Å; F124-Q128 PolarHBondContact O-N 3.02Å |
| 125 | E | 70.8 | Confident | 73.2 | Confident | 165 Ų | 165 | 98.7 Ų | 98.7 | 77% | 0.771 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.8 | -45.3 | 171.7 | -63 | -165.6 | 162.9 | 0 | 0 | 111.1 | D123 Q128 A129 | D123-E125 PolarHBondContact O-N 3.29Å; D123-E125 WeakPolarHBondContact OD1-CA 3.42Å; D123-E125 WeakPolarHBondContact OD1-CB 3.38Å; D123-E125 PolarHBondContact OD1-N 2.89Å; D123-E125 VanDerWaalsContact OD1-N 3.17Å; E125-Q128 CarbonylContact O-C 3.6Å; E125-Q128 PolarHBondContact O-N 2.95Å; E125-A129 VanDerWaalsContact O-CB 3.29Å; E125-A129 WeakPolarHBondContact O-CB 3.38Å; E125-A129 PolarHBondContact O-N 3.02Å |
| 126 | Q | 74.9 | Confident | 73.6 | Confident | 97 Ų | 97 | 94.9 Ų | 94.9 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.2 | -174.5 | 61.3 | 49.4 | 0 | 0 | 111.8 | D123 Q128 A129 D130 | D123-Q126 HydrophobicContact CB-CB 3.72Å; D123-Q126 PolarHBondContact O-N 3.14Å; D123-Q126 PolarHBondContact OD1-N 3.24Å; D123-Q126 WeakPolarHBondContact OD2-CB 3.4Å; Q126-Q128 VanDerWaalsContact C-N 3.3Å; Q126-Q128 PolarHBondContact O-N 3.48Å; Q126-A129 PolarHBondContact O-N 3.38Å; Q126-D130 PolarHBondContact NE2-OD1 2.88Å; Q126-D130 WeakPolarHBondContact O-CB 3.46Å; Q126-D130 PolarHBondContact O-N 3.09Å |
| 127 | M | 74.4 | Confident | 74 | Confident | 95 Ų | 95 | 96 Ų | 96 | 47% | 0.468 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.2 | -170.3 | 179.6 | -64.9 | 0 | 0 | 111 | I122 D123 I131 | I122-M127 HydrophobicContact CG2-CE 3.69Å; D123-M127 PolarHBondContact O-N 2.88Å; M127-I131 HydrophobicContact CG-CD1 4.33Å; M127-I131 WeakPolarHBondContact O-CB 3.38Å; M127-I131 WeakPolarHBondContact O-CD1 3.41Å; M127-I131 WeakPolarHBondContact O-CG1 3.5Å; M127-I131 PolarHBondContact O-N 3.07Å |
| 128 | Q | 79.2 | Confident | 74.7 | Confident | 94 Ų | 94 | 94.6 Ų | 94.6 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 174.5 | -174.3 | 61 | 42.7 | 0 | 0 | 111.4 | F124 E125 Q126 I131 D132 | F124-Q128 WeakPolarHBondContact O-CB 3.38Å; F124-Q128 PolarHBondContact O-N 3.02Å; E125-Q128 CarbonylContact O-C 3.6Å; E125-Q128 PolarHBondContact O-N 2.95Å; Q126-Q128 VanDerWaalsContact C-N 3.3Å; Q126-Q128 PolarHBondContact O-N 3.48Å; Q128-I131 WeakPolarHBondContact O-CB 3.37Å; Q128-I131 PolarHBondContact O-N 2.87Å; Q128-D132 PolarHBondContact NE2-OD1 3.18Å; Q128-D132 VanDerWaalsContact NE2-OD1 3.11Å; Q128-D132 PolarHBondContact NE2-OD2 3.3Å; Q128-D132 WeakPolarHBondContact O-CB 3.44Å; Q128-D132 VanDerWaalsContact O-CG 3.27Å; Q128-D132 PolarHBondContact O-N 2.84Å |
| 129 | A | 79.8 | Confident | 75.5 | Confident | 46 Ų | 46 | 93.2 Ų | 93.2 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E125 Q126 I131 D132 A133 | E125-A129 VanDerWaalsContact O-CB 3.29Å; E125-A129 WeakPolarHBondContact O-CB 3.38Å; E125-A129 PolarHBondContact O-N 3.02Å; Q126-A129 PolarHBondContact O-N 3.38Å; A129-I131 VanDerWaalsContact C-N 3.35Å; A129-D132 PolarHBondContact O-N 2.94Å; A129-A133 WeakPolarHBondContact O-CB 3.3Å; A129-A133 PolarHBondContact O-N 3.47Å |
| 130 | D | 81.5 | Confident | 76.5 | Confident | 85 Ų | 85 | 92.4 Ų | 92.4 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 174.5 | -70.2 | -12.9 | 0 | 0 | 0 | 110.9 | Q126 A133 L134 | Q126-D130 PolarHBondContact NE2-OD1 2.88Å; Q126-D130 WeakPolarHBondContact O-CB 3.46Å; Q126-D130 PolarHBondContact O-N 3.09Å; D130-A133 PolarHBondContact O-N 3.29Å; D130-L134 WeakPolarHBondContact O-CG 3.43Å; D130-L134 PolarHBondContact O-N 3.06Å |
| 131 | I | 80.8 | Confident | 77.4 | Confident | 56 Ų | 56 | 92.3 Ų | 92.3 | 29% | 0.287 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 174 | -72.6 | 165.7 | 0 | 0 | 0 | 111 | M127 Q128 A129 A133 L134 I135 | M127-I131 HydrophobicContact CG-CD1 4.33Å; M127-I131 WeakPolarHBondContact O-CB 3.38Å; M127-I131 WeakPolarHBondContact O-CD1 3.41Å; M127-I131 WeakPolarHBondContact O-CG1 3.5Å; M127-I131 PolarHBondContact O-N 3.07Å; Q128-I131 WeakPolarHBondContact O-CB 3.37Å; Q128-I131 PolarHBondContact O-N 2.87Å; A129-I131 VanDerWaalsContact C-N 3.35Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 2.93Å; I131-L134 PolarHBondContact O-N 2.98Å; I131-I135 HydrophobicContact CG2-CD1 3.89Å; I131-I135 WeakPolarHBondContact O-CG1 3.48Å; I131-I135 PolarHBondContact O-N 3.28Å |
| 132 | D | 86.7 | Confident | 78.6 | Confident | 76 Ų | 76 | 88 Ų | 88 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -33.5 | -178.8 | -70.2 | -21.8 | 0 | 0 | 0 | 111.8 | Q128 A129 I135 S136 | Q128-D132 PolarHBondContact NE2-OD1 3.18Å; Q128-D132 VanDerWaalsContact NE2-OD1 3.11Å; Q128-D132 PolarHBondContact NE2-OD2 3.3Å; Q128-D132 WeakPolarHBondContact O-CB 3.44Å; Q128-D132 VanDerWaalsContact O-CG 3.27Å; Q128-D132 PolarHBondContact O-N 2.84Å; A129-D132 PolarHBondContact O-N 2.94Å; D132-I135 PolarHBondContact O-N 3.08Å; D132-S136 WeakPolarHBondContact O-CB 3.47Å; D132-S136 PolarHBondContact O-N 2.78Å; D132-S136 PolarHBondContact O-OG 3.22Å |
| 133 | A | 85.4 | Confident | 79.7 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A129 D130 I131 S136 E137 | A129-A133 WeakPolarHBondContact O-CB 3.3Å; A129-A133 PolarHBondContact O-N 3.47Å; D130-A133 PolarHBondContact O-N 3.29Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 2.93Å; A133-S136 PolarHBondContact O-N 3.46Å; A133-E137 PolarHBondContact O-N 2.94Å |
| 134 | L | 83.7 | Confident | 80.4 | Confident | 125 Ų | 125 | 85 Ų | 85 | 65% | 0.654 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 175.8 | -74.1 | 170.6 | 0 | 0 | 0 | 112.3 | D130 I131 E137 Q138 | D130-L134 WeakPolarHBondContact O-CG 3.43Å; D130-L134 PolarHBondContact O-N 3.06Å; I131-L134 PolarHBondContact O-N 2.98Å; L134-E137 PolarHBondContact O-N 3.31Å; L134-Q138 WeakPolarHBondContact O-CB 3.34Å; L134-Q138 PolarHBondContact O-N 3.4Å |
| 135 | I | 85.1 | Confident | 80.9 | Confident | 77 Ų | 77 | 80 Ų | 80 | 40% | 0.395 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.5 | -69.3 | 168.5 | 0 | 0 | 0 | 110.7 | I131 D132 E137 Q138 N139 | I131-I135 HydrophobicContact CG2-CD1 3.89Å; I131-I135 WeakPolarHBondContact O-CG1 3.48Å; I131-I135 PolarHBondContact O-N 3.28Å; D132-I135 PolarHBondContact O-N 3.08Å; I135-E137 VanDerWaalsContact C-N 3.33Å; I135-E137 PolarHBondContact O-N 3.37Å; I135-Q138 PolarHBondContact O-N 2.66Å; I135-N139 PolarHBondContact O-N 2.98Å; I135-N139 PolarHBondContact O-ND2 3.49Å |
| 136 | S | 84.9 | Confident | 81.4 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 52% | 0.517 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | D132 A133 N139 R140 | D132-S136 WeakPolarHBondContact O-CB 3.47Å; D132-S136 PolarHBondContact O-N 2.78Å; D132-S136 PolarHBondContact O-OG 3.22Å; A133-S136 PolarHBondContact O-N 3.46Å; S136-N139 PolarHBondContact O-N 3.4Å; S136-R140 PolarHBondContact O-N 2.84Å |
| 137 | E | 84.8 | Confident | 81.6 | Confident | 81 Ų | 81 | 77.1 Ų | 77.1 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 177.3 | -167.5 | 62.1 | -176.7 | 0 | 0 | 112 | A133 L134 I135 N139 R140 L141 | A133-E137 PolarHBondContact O-N 2.94Å; L134-E137 PolarHBondContact O-N 3.31Å; I135-E137 VanDerWaalsContact C-N 3.33Å; I135-E137 PolarHBondContact O-N 3.37Å; E137-N139 VanDerWaalsContact C-N 3.33Å; E137-N139 PolarHBondContact O-N 3.33Å; E137-R140 VanDerWaalsContact CD-NE 3.33Å; E137-R140 WeakPolarHBondContact O-CB 3.34Å; E137-R140 PolarHBondContact O-N 2.72Å; E137-R140 IonicContact OE1-CZ 3.32Å; E137-R140 VanDerWaalsContact OE1-CZ 3.32Å; E137-R140 IonicContact OE1-NE 3.13Å; E137-R140 PolarHBondContact OE1-NE 3.38Å; E137-R140 VanDerWaalsContact OE1-NE 3.13Å; E137-R140 IonicContact OE1-NH2 2.68Å; E137-R140 PolarHBondContact OE1-NH2 2.99Å; E137-R140 IonicContact OE2-CZ 3.82Å; E137-R140 IonicContact OE2-NE 2.86Å; E137-R140 PolarHBondContact OE2-NE 2.95Å; E137-R140 IonicContact OE2-NH2 3.92Å; E137-L141 HydrophobicContact CG-CD1 4.45Å; E137-L141 WeakPolarHBondContact O-CB 3.45Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.23Å |
| 138 | Q | 81.5 | Confident | 81.6 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 33% | 0.327 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 172.1 | -176.2 | -178.8 | 1.3 | 0 | 0 | 112 | L134 I135 R140 L141 S142 L203 | L134-Q138 WeakPolarHBondContact O-CB 3.34Å; L134-Q138 PolarHBondContact O-N 3.4Å; I135-Q138 PolarHBondContact O-N 2.66Å; Q138-R140 VanDerWaalsContact C-N 3.34Å; Q138-L141 PolarHBondContact O-N 2.94Å; Q138-S142 WeakPolarHBondContact O-CB 3.44Å; Q138-S142 PolarHBondContact O-N 3.3Å; Q138-S142 PolarHBondContact O-OG 3.18Å; Q138-L203 HydrophobicContact CG-CD1 3.97Å |
| 139 | N | 83.4 | Confident | 81.4 | Confident | 94 Ų | 94 | 71 Ų | 71 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 176.7 | -72.8 | -29.5 | 0 | 0 | 0 | 111.8 | I135 S136 E137 S143 | I135-N139 PolarHBondContact O-N 2.98Å; I135-N139 PolarHBondContact O-ND2 3.49Å; S136-N139 PolarHBondContact O-N 3.4Å; E137-N139 VanDerWaalsContact C-N 3.33Å; E137-N139 PolarHBondContact O-N 3.33Å; N139-S143 WeakPolarHBondContact O-CB 3.5Å; N139-S143 PolarHBondContact O-N 2.94Å; N139-S143 PolarHBondContact O-OG 3.42Å |
| 140 | R | 84.9 | Confident | 81.4 | Confident | 138 Ų | 138 | 75.3 Ų | 75.3 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 174.6 | -164.5 | -173.3 | 73 | 76.9 | 1.2 | 111.3 | S136 E137 Q138 S143 A144 | S136-R140 PolarHBondContact O-N 2.84Å; E137-R140 VanDerWaalsContact CD-NE 3.33Å; E137-R140 WeakPolarHBondContact O-CB 3.34Å; E137-R140 PolarHBondContact O-N 2.72Å; E137-R140 IonicContact OE1-CZ 3.32Å; E137-R140 VanDerWaalsContact OE1-CZ 3.32Å; E137-R140 IonicContact OE1-NE 3.13Å; E137-R140 PolarHBondContact OE1-NE 3.38Å; E137-R140 VanDerWaalsContact OE1-NE 3.13Å; E137-R140 IonicContact OE1-NH2 2.68Å; E137-R140 PolarHBondContact OE1-NH2 2.99Å; E137-R140 IonicContact OE2-CZ 3.82Å; E137-R140 IonicContact OE2-NE 2.86Å; E137-R140 PolarHBondContact OE2-NE 2.95Å; E137-R140 IonicContact OE2-NH2 3.92Å; Q138-R140 VanDerWaalsContact C-N 3.34Å; R140-S143 PolarHBondContact O-N 3.47Å; R140-A144 WeakPolarHBondContact O-CB 3.44Å; R140-A144 PolarHBondContact O-N 2.98Å |
| 141 | L | 80.8 | Confident | 81.2 | Confident | 48 Ų | 48 | 79.3 Ų | 79.3 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 176.8 | -70 | 171.5 | 0 | 0 | 0 | 111.7 | E137 Q138 S143 A144 Q145 L196 | E137-L141 HydrophobicContact CG-CD1 4.45Å; E137-L141 WeakPolarHBondContact O-CB 3.45Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.23Å; Q138-L141 PolarHBondContact O-N 2.94Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 2.9Å; L141-A144 PolarHBondContact O-N 3.34Å; L141-Q145 WeakPolarHBondContact O-CB 3.44Å; L141-Q145 PolarHBondContact O-N 3.31Å; L141-L196 HydrophobicContact CB-CD2 4.09Å; L141-L196 HydrophobicContact CD2-CD2 3.91Å; L141-L196 HydrophobicContact CG-CD2 4.44Å |
| 142 | S | 78.5 | Confident | 81 | Confident | 59 Ų | 59 | 78 Ų | 78 | 41% | 0.413 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -39 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 112 | Q138 Q145 L146 | Q138-S142 WeakPolarHBondContact O-CB 3.44Å; Q138-S142 PolarHBondContact O-N 3.3Å; Q138-S142 PolarHBondContact O-OG 3.18Å; S142-Q145 PolarHBondContact O-N 3.01Å; S142-L146 PolarHBondContact O-N 3.23Å; S142-L146 VanDerWaalsContact O-N 3.11Å |
| 143 | S | 81 | Confident | 80.6 | Confident | 69 Ų | 69 | 79 Ų | 79 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 176 | -59.3 | 0 | 0 | 0 | 0 | 112 | N139 R140 L141 L146 I147 | N139-S143 WeakPolarHBondContact O-CB 3.5Å; N139-S143 PolarHBondContact O-N 2.94Å; N139-S143 PolarHBondContact O-OG 3.42Å; R140-S143 PolarHBondContact O-N 3.47Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 2.9Å; S143-L146 PolarHBondContact O-N 3.46Å; S143-I147 WeakPolarHBondContact O-CG1 3.39Å; S143-I147 PolarHBondContact O-N 2.88Å; S143-I147 VanDerWaalsContact O-N 3.08Å |
| 144 | A | 79.8 | Confident | 80.3 | Confident | 29 Ų | 29 | 79.2 Ų | 79.2 | 24% | 0.24 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R140 L141 L146 I147 S148 | R140-A144 WeakPolarHBondContact O-CB 3.44Å; R140-A144 PolarHBondContact O-N 2.98Å; L141-A144 PolarHBondContact O-N 3.34Å; A144-L146 VanDerWaalsContact C-N 3.31Å; A144-L146 PolarHBondContact O-N 3.21Å; A144-I147 PolarHBondContact O-N 3.45Å; A144-I147 VanDerWaalsContact O-N 3.12Å; A144-S148 PolarHBondContact O-N 3.46Å; A144-S148 PolarHBondContact O-OG 2.99Å |
| 145 | Q | 76.2 | Confident | 79.8 | Confident | 45 Ų | 45 | 75 Ų | 75 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 176.2 | -161.6 | 173 | -3.3 | 0 | 0 | 111.9 | L141 S142 I147 S148 S149 L196 N197 | L141-Q145 WeakPolarHBondContact O-CB 3.44Å; L141-Q145 PolarHBondContact O-N 3.31Å; S142-Q145 PolarHBondContact O-N 3.01Å; Q145-I147 PolarHBondContact O-N 3.35Å; Q145-S148 PolarHBondContact O-N 3.09Å; Q145-S149 WeakPolarHBondContact O-CB 3.47Å; Q145-S149 PolarHBondContact O-N 3.39Å; Q145-L196 HydrophobicContact CB-CD1 3.84Å; Q145-L196 HydrophobicContact CG-CB 4.44Å; Q145-L196 HydrophobicContact CG-CD1 3.84Å; Q145-N197 PolarHBondContact NE2-OD1 3.32Å; Q145-N197 VanDerWaalsContact NE2-OD1 3.12Å |
| 146 | L | 81.7 | Confident | 79.3 | Confident | 103 Ų | 103 | 74.8 Ų | 74.8 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 177 | -173.2 | 68.1 | 0 | 0 | 0 | 112.2 | S142 S143 A144 K150 | S142-L146 PolarHBondContact O-N 3.23Å; S142-L146 VanDerWaalsContact O-N 3.11Å; S143-L146 PolarHBondContact O-N 3.46Å; A144-L146 VanDerWaalsContact C-N 3.31Å; A144-L146 PolarHBondContact O-N 3.21Å; L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.17Å |
| 147 | I | 80.5 | Confident | 78.9 | Confident | 98 Ų | 98 | 74 Ų | 74 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 176.4 | -67 | 165.9 | 0 | 0 | 0 | 110.5 | S143 A144 Q145 K150 R151 | S143-I147 WeakPolarHBondContact O-CG1 3.39Å; S143-I147 PolarHBondContact O-N 2.88Å; S143-I147 VanDerWaalsContact O-N 3.08Å; A144-I147 PolarHBondContact O-N 3.45Å; A144-I147 VanDerWaalsContact O-N 3.12Å; Q145-I147 PolarHBondContact O-N 3.35Å; I147-K150 PolarHBondContact O-N 3.39Å; I147-R151 PolarHBondContact O-N 3.42Å |
| 148 | S | 74.1 | Confident | 78.3 | Confident | 12 Ų | 12 | 72 Ų | 72 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 177.2 | -70.8 | 0 | 0 | 0 | 0 | 111.4 | A144 Q145 R151 L152 E192 | A144-S148 PolarHBondContact O-N 3.46Å; A144-S148 PolarHBondContact O-OG 2.99Å; Q145-S148 PolarHBondContact O-N 3.09Å; S148-R151 WeakPolarHBondContact O-CB 3.04Å; S148-R151 PolarHBondContact O-N 3.23Å; S148-L152 WeakPolarHBondContact O-CB 3.33Å; S148-L152 PolarHBondContact O-N 3.43Å; S148-E192 PolarHBondContact OG-OE2 2.76Å |
| 149 | S | 74.5 | Confident | 77.6 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 173.4 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | Q145 R151 L152 D153 | Q145-S149 WeakPolarHBondContact O-CB 3.47Å; Q145-S149 PolarHBondContact O-N 3.39Å; S149-R151 VanDerWaalsContact C-N 3.32Å; S149-R151 PolarHBondContact O-N 2.91Å; S149-L152 WeakPolarHBondContact O-CB 3.47Å; S149-L152 PolarHBondContact O-N 3.22Å; S149-D153 PolarHBondContact O-N 2.84Å |
| 150 | K | 80.3 | Confident | 77 | Confident | 137 Ų | 137 | 75.1 Ų | 75.1 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.3 | -36.2 | 177 | -75.3 | 179.5 | 179.1 | -178.8 | 0 | 112.7 | L146 I147 A154 | L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.17Å; I147-K150 PolarHBondContact O-N 3.39Å; K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 2.96Å |
| 151 | R | 77.3 | Confident | 76.3 | Confident | 169 Ų | 169 | 72.5 Ų | 72.5 | 64% | 0.638 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 173.7 | -81.5 | -179.8 | 162.5 | -178.9 | -4.5 | 111.1 | I147 S148 S149 D153 A154 L155 | I147-R151 PolarHBondContact O-N 3.42Å; S148-R151 WeakPolarHBondContact O-CB 3.04Å; S148-R151 PolarHBondContact O-N 3.23Å; S149-R151 VanDerWaalsContact C-N 3.32Å; S149-R151 PolarHBondContact O-N 2.91Å; R151-D153 VanDerWaalsContact C-N 3.33Å; R151-D153 PolarHBondContact O-N 3.26Å; R151-A154 PolarHBondContact O-N 3.23Å; R151-L155 HydrophobicContact CB-CD1 4.47Å; R151-L155 WeakPolarHBondContact O-CD1 3.48Å; R151-L155 PolarHBondContact O-N 2.98Å |
| 152 | L | 75.5 | Confident | 75.3 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 176.8 | -172.4 | 67.9 | 0 | 0 | 0 | 111.4 | S148 S149 A154 L155 N156 V186 V189 I193 | S148-L152 WeakPolarHBondContact O-CB 3.33Å; S148-L152 PolarHBondContact O-N 3.43Å; S149-L152 WeakPolarHBondContact O-CB 3.47Å; S149-L152 PolarHBondContact O-N 3.22Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.02Å; L152-L155 PolarHBondContact O-N 2.98Å; L152-N156 WeakPolarHBondContact O-CB 3.4Å; L152-N156 PolarHBondContact O-N 2.98Å; L152-V186 HydrophobicContact CD1-CB 4.3Å; L152-V186 HydrophobicContact CD1-CG1 3.82Å; L152-V186 HydrophobicContact CD1-CG2 4.15Å; L152-V189 HydrophobicContact CB-CG1 4.22Å; L152-V189 HydrophobicContact CD1-CG1 4.32Å; L152-I193 HydrophobicContact CD2-CD1 4.03Å |
| 153 | D | 79.5 | Confident | 74.3 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.8 | -68.4 | -27.2 | 0 | 0 | 0 | 111.9 | S149 R151 N156 A157 | S149-D153 PolarHBondContact O-N 2.84Å; R151-D153 VanDerWaalsContact C-N 3.33Å; R151-D153 PolarHBondContact O-N 3.26Å; D153-N156 PolarHBondContact O-N 3.48Å; D153-A157 WeakPolarHBondContact O-CB 3.43Å; D153-A157 PolarHBondContact O-N 2.92Å |
| 154 | A | 78.7 | Confident | 73.2 | Confident | 62 Ų | 62 | 81.7 Ų | 81.7 | 51% | 0.512 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K150 R151 L152 A157 A158 | K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 2.96Å; R151-A154 PolarHBondContact O-N 3.23Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.02Å; A154-A157 PolarHBondContact O-N 3.36Å; A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 2.96Å |
| 155 | L | 73.7 | Confident | 71.7 | Confident | 36 Ų | 36 | 88.3 Ų | 88.3 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 174.1 | -94.3 | 94.3 | 0 | 0 | 0 | 111 | R151 L152 A157 A158 L159 L182 V186 | R151-L155 HydrophobicContact CB-CD1 4.47Å; R151-L155 WeakPolarHBondContact O-CD1 3.48Å; R151-L155 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 2.98Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.25Å; L155-A158 PolarHBondContact O-N 3.5Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 PolarHBondContact O-N 3.29Å; L155-L182 HydrophobicContact CB-CD1 4.36Å; L155-L182 HydrophobicContact CD2-CD1 3.26Å; L155-L182 HydrophobicContact CD2-CG 3.65Å; L155-L182 HydrophobicContact CG-CD1 3.54Å; L155-L182 HydrophobicContact CG-CG 4.15Å; L155-V186 HydrophobicContact CB-CG2 4.14Å; L155-V186 HydrophobicContact CD2-CG2 3.64Å |
| 156 | N | 74.1 | Confident | 70.5 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 176.6 | -90.3 | -19.5 | 0 | 0 | 0 | 111.7 | L152 D153 L159 Q160 | L152-N156 WeakPolarHBondContact O-CB 3.4Å; L152-N156 PolarHBondContact O-N 2.98Å; D153-N156 PolarHBondContact O-N 3.48Å; N156-L159 PolarHBondContact O-N 3.26Å; N156-Q160 WeakPolarHBondContact O-CG 3.28Å; N156-Q160 PolarHBondContact O-N 3.38Å |
| 157 | A | 76.4 | Confident | 69.2 | Low | 58 Ų | 58 | 88.8 Ų | 88.8 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D153 A154 L155 Q160 S161 | D153-A157 WeakPolarHBondContact O-CB 3.43Å; D153-A157 PolarHBondContact O-N 2.92Å; A154-A157 PolarHBondContact O-N 3.36Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.25Å; A157-Q160 PolarHBondContact O-N 3.01Å; A157-S161 WeakPolarHBondContact O-CB 3.33Å; A157-S161 PolarHBondContact O-N 3.38Å |
| 158 | A | 71.3 | Confident | 68 | Low | 40 Ų | 40 | 88 Ų | 88 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A154 L155 Q160 S161 M162 | A154-A158 WeakPolarHBondContact O-CB 3.44Å; A154-A158 PolarHBondContact O-N 2.96Å; L155-A158 PolarHBondContact O-N 3.5Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 3.42Å; A158-S161 PolarHBondContact O-N 3.06Å; A158-S161 VanDerWaalsContact O-N 3.13Å; A158-S161 PolarHBondContact O-OG 3.35Å; A158-M162 WeakPolarHBondContact O-CB 3.32Å; A158-M162 PolarHBondContact O-N 2.98Å |
| 159 | L | 67.4 | Low | 67.2 | Low | 73 Ų | 73 | 94 Ų | 94 | 38% | 0.382 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 176.5 | -164.1 | 91.7 | 0 | 0 | 0 | 111.3 | L155 N156 M162 L182 | L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 PolarHBondContact O-N 3.29Å; N156-L159 PolarHBondContact O-N 3.26Å; L159-M162 WeakPolarHBondContact O-CB 3.45Å; L159-M162 PolarHBondContact O-N 2.99Å; L159-L182 HydrophobicContact CB-CD2 4.05Å; L159-L182 HydrophobicContact CD1-CD2 3.74Å |
| 160 | Q | 71.8 | Confident | 66.6 | Low | 155 Ų | 155 | 97.7 Ų | 97.7 | 72% | 0.724 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -36.1 | 174.8 | -74 | -170.3 | 2.7 | 0 | 0 | 112.8 | N156 A157 A158 M162 V163 | N156-Q160 WeakPolarHBondContact O-CG 3.28Å; N156-Q160 PolarHBondContact O-N 3.38Å; A157-Q160 PolarHBondContact O-N 3.01Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 3.42Å; Q160-M162 PolarHBondContact O-N 3.32Å; Q160-V163 WeakPolarHBondContact O-CG2 3.44Å |
| 161 | S | 68.5 | Low | 65.8 | Low | 83 Ų | 83 | 93.3 Ų | 93.3 | 58% | 0.58 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.9 | -24.5 | 177.8 | 80.2 | 0 | 0 | 0 | 0 | 113.4 | A157 A158 V163 | A157-S161 WeakPolarHBondContact O-CB 3.33Å; A157-S161 PolarHBondContact O-N 3.38Å; A158-S161 PolarHBondContact O-N 3.06Å; A158-S161 VanDerWaalsContact O-N 3.13Å; A158-S161 PolarHBondContact O-OG 3.35Å; S161-V163 PolarHBondContact O-N 3.06Å |
| 162 | M | 61.5 | Low | 65.1 | Low | 68 Ų | 68 | 88 Ų | 88 | 34% | 0.335 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -3.7 | -178.1 | -94.5 | -167.4 | 167.4 | 0 | 0 | 113.5 | A158 L159 Q160 K164 F175 | A158-M162 WeakPolarHBondContact O-CB 3.32Å; A158-M162 PolarHBondContact O-N 2.98Å; L159-M162 WeakPolarHBondContact O-CB 3.45Å; L159-M162 PolarHBondContact O-N 2.99Å; Q160-M162 PolarHBondContact O-N 3.32Å; M162-K164 PolarHBondContact O-N 3.37Å; M162-F175 HydrophobicContact CB-CE2 3.41Å; M162-F175 VanDerWaalsContact CB-CE2 3.41Å; M162-F175 HydrophobicContact CB-CZ 3.65Å; M162-F175 HydrophobicContact CE-CD2 4.48Å; M162-F175 HydrophobicContact CE-CE2 4.49Å; M162-F175 HydrophobicContact CG-CD2 4.37Å; M162-F175 HydrophobicContact CG-CE2 3.53Å; M162-F175 HydrophobicContact CG-CZ 4.25Å; M162-F175 WeakPolarHBondContact O-CE2 3.26Å; M162-F175 WeakPolarHBondContact O-CZ 3.43Å; M162-F175 HydrophobicContact SD-CD2 4.15Å; M162-F175 HydrophobicContact SD-CE2 3.69Å; M162-F175 HydrophobicContact SD-CZ 4.35Å |
| 163 | V | 57.4 | Low | 65 | Low | 125 Ų | 125 | 90.6 Ų | 90.6 | 76% | 0.758 | 52% | 0.519 | S | S | * | . | trans | -70.9 | 34 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | Q160 S161 | Q160-V163 WeakPolarHBondContact O-CG2 3.44Å; S161-V163 PolarHBondContact O-N 3.06Å | ||
| 164 | K | 56.6 | Low | 64.7 | Low | 177 Ų | 177 | 91.2 Ų | 91.2 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -109 | 119.3 | 169.7 | -71.1 | -175.1 | 179.9 | 179 | 0 | 109.4 | M162 P166 | M162-K164 PolarHBondContact O-N 3.37Å; K164-P166 VanDerWaalsContact O-CD 3.25Å; K164-P166 WeakPolarHBondContact O-CD 3.47Å |
| 165 | I | 49.5 | Very low | 64.4 | Low | 167 Ų | 167 | 91.1 Ų | 91.1 | 86% | 0.856 | 51% | 0.507 | S | S | * | . | trans | -60.2 | 117.5 | -177.4 | -57.1 | 172.3 | 0 | 0 | 0 | 109.9 | ||||
| 166 | P | 50.9 | Low | 64.5 | Low | 35 Ų | 35 | 92.1 Ų | 92.1 | 23% | 0.227 | 52% | 0.52 | C | S | . | . | trans | -72.1 | 136.9 | 174.2 | -15.7 | 31.3 | 0 | 0 | 0 | 111.3 | K164 T168 S171 F175 | K164-P166 VanDerWaalsContact O-CD 3.25Å; K164-P166 WeakPolarHBondContact O-CD 3.47Å; P166-T168 VanDerWaalsContact C-N 3.28Å; P166-T168 PolarHBondContact O-N 3.06Å; P166-S171 WeakPolarHBondContact CB-OG 3.37Å; P166-F175 HydrophobicContact CG-CB 4.26Å; P166-F175 HydrophobicContact CG-CD2 4.42Å; P166-F175 HydrophobicContact CG-CG 4.23Å | ||
| 167 | S | 53.2 | Low | 64.9 | Low | 124 Ų | 124 | 94.2 Ų | 94.2 | 87% | 0.867 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -82.6 | 9 | -172.8 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 168 | T | 55.8 | Low | 65.1 | Low | 81 Ų | 81 | 93.6 Ų | 93.6 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -140.8 | 148.2 | 178.4 | 62.9 | 0 | 0 | 0 | 0 | 112 | P166 D170 S171 T172 | P166-T168 VanDerWaalsContact C-N 3.28Å; P166-T168 PolarHBondContact O-N 3.06Å; T168-D170 PolarHBondContact O-N 3.16Å; T168-S171 PolarHBondContact N-OG 3.01Å; T168-S171 PolarHBondContact O-N 3.37Å; T168-S171 PolarHBondContact O-OG 3.04Å; T168-S171 VanDerWaalsContact OG1-CB 3.32Å; T168-S171 WeakPolarHBondContact OG1-CB 3.44Å; T168-S171 PolarHBondContact OG1-OG 3.35Å; T168-T172 PolarHBondContact O-N 3.05Å; T168-T172 PolarHBondContact O-OG1 3.35Å |
| 169 | L | 57.8 | Low | 65.4 | Low | 138 Ų | 138 | 93 Ų | 93 | 72% | 0.723 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | -177.3 | -166.9 | 71.8 | 0 | 0 | 0 | 112.3 | T172 I173 | L169-T172 WeakPolarHBondContact O-CB 3.4Å; L169-T172 PolarHBondContact O-N 2.98Å; L169-T172 VanDerWaalsContact O-N 3.15Å; L169-I173 PolarHBondContact O-N 3.2Å |
| 170 | D | 61.8 | Low | 66.1 | Low | 126 Ų | 126 | 96 Ų | 96 | 67% | 0.674 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -40 | 177.2 | -74.4 | -24.8 | 0 | 0 | 0 | 112.4 | T168 T172 I173 E174 | T168-D170 PolarHBondContact O-N 3.16Å; D170-T172 PolarHBondContact O-N 2.95Å; D170-I173 PolarHBondContact O-N 3.32Å; D170-E174 PolarHBondContact O-N 2.93Å |
| 171 | S | 63 | Low | 66.7 | Low | 44 Ų | 44 | 91.5 Ų | 91.5 | 31% | 0.308 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -29.4 | 174.4 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | P166 T168 F175 | P166-S171 WeakPolarHBondContact CB-OG 3.37Å; T168-S171 PolarHBondContact N-OG 3.01Å; T168-S171 PolarHBondContact O-N 3.37Å; T168-S171 PolarHBondContact O-OG 3.04Å; T168-S171 VanDerWaalsContact OG1-CB 3.32Å; T168-S171 WeakPolarHBondContact OG1-CB 3.44Å; T168-S171 PolarHBondContact OG1-OG 3.35Å; S171-F175 WeakPolarHBondContact O-CB 3.4Å; S171-F175 PolarHBondContact O-N 3.24Å |
| 172 | T | 62.5 | Low | 67.3 | Low | 57 Ų | 57 | 89.4 Ų | 89.4 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -38 | 174.7 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | T168 L169 D170 A176 | T168-T172 PolarHBondContact O-N 3.05Å; T168-T172 PolarHBondContact O-OG1 3.35Å; L169-T172 WeakPolarHBondContact O-CB 3.4Å; L169-T172 PolarHBondContact O-N 2.98Å; L169-T172 VanDerWaalsContact O-N 3.15Å; D170-T172 PolarHBondContact O-N 2.95Å; T172-A176 WeakPolarHBondContact O-CB 3.32Å; T172-A176 PolarHBondContact O-N 3.45Å |
| 173 | I | 72.7 | Confident | 68.3 | Low | 83 Ų | 83 | 91.3 Ų | 91.3 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.1 | -47 | 177.1 | -68.2 | 171.5 | 0 | 0 | 0 | 111.1 | L169 D170 F175 A176 K177 | L169-I173 PolarHBondContact O-N 3.2Å; D170-I173 PolarHBondContact O-N 3.32Å; I173-F175 VanDerWaalsContact C-N 3.29Å; I173-F175 PolarHBondContact O-N 3.45Å; I173-A176 PolarHBondContact O-N 3.01Å; I173-A176 VanDerWaalsContact O-N 3.16Å; I173-K177 WeakPolarHBondContact O-CG 3.37Å; I173-K177 PolarHBondContact O-N 3.19Å |
| 174 | E | 75.1 | Confident | 69.7 | Low | 111 Ų | 111 | 87.6 Ų | 87.6 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 177.3 | -72.9 | -56.2 | 128.5 | 0 | 0 | 111.6 | D170 K177 A178 | D170-E174 PolarHBondContact O-N 2.93Å; E174-K177 PolarHBondContact O-N 3.07Å; E174-K177 IonicContact OE1-NZ 2.77Å; E174-K177 PolarHBondContact OE1-NZ 2.99Å; E174-A178 WeakPolarHBondContact O-CB 3.45Å; E174-A178 PolarHBondContact O-N 2.87Å |
| 175 | F | 71.8 | Confident | 71.1 | Confident | 60 Ų | 60 | 81.4 Ų | 81.4 | 26% | 0.263 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 170.3 | 177.9 | -91.2 | 0 | 0 | 0 | 112.4 | M162 P166 S171 I173 A178 C179 | M162-F175 HydrophobicContact CB-CE2 3.41Å; M162-F175 VanDerWaalsContact CB-CE2 3.41Å; M162-F175 HydrophobicContact CB-CZ 3.65Å; M162-F175 HydrophobicContact CE-CD2 4.48Å; M162-F175 HydrophobicContact CE-CE2 4.49Å; M162-F175 HydrophobicContact CG-CD2 4.37Å; M162-F175 HydrophobicContact CG-CE2 3.53Å; M162-F175 HydrophobicContact CG-CZ 4.25Å; M162-F175 WeakPolarHBondContact O-CE2 3.26Å; M162-F175 WeakPolarHBondContact O-CZ 3.43Å; M162-F175 HydrophobicContact SD-CD2 4.15Å; M162-F175 HydrophobicContact SD-CE2 3.69Å; M162-F175 HydrophobicContact SD-CZ 4.35Å; P166-F175 HydrophobicContact CG-CB 4.26Å; P166-F175 HydrophobicContact CG-CD2 4.42Å; P166-F175 HydrophobicContact CG-CG 4.23Å; S171-F175 WeakPolarHBondContact O-CB 3.4Å; S171-F175 PolarHBondContact O-N 3.24Å; I173-F175 VanDerWaalsContact C-N 3.29Å; I173-F175 PolarHBondContact O-N 3.45Å; F175-A178 PolarHBondContact O-N 3.48Å; F175-C179 WeakPolarHBondContact CE1-SG 3.46Å; F175-C179 WeakPolarHBondContact O-CB 3.14Å; F175-C179 PolarHBondContact O-N 2.9Å; F175-C179 PolarHBondContact O-SG 3.06Å |
| 176 | A | 75.3 | Confident | 72.6 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T172 I173 C179 F180 | T172-A176 WeakPolarHBondContact O-CB 3.32Å; T172-A176 PolarHBondContact O-N 3.45Å; I173-A176 PolarHBondContact O-N 3.01Å; I173-A176 VanDerWaalsContact O-N 3.16Å; A176-C179 PolarHBondContact O-N 3.04Å; A176-F180 WeakPolarHBondContact O-CB 3.29Å; A176-F180 PolarHBondContact O-N 3.03Å |
| 177 | K | 83.4 | Confident | 74.5 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.8 | -71.9 | 178.1 | -171.5 | 164.5 | 0 | 111.8 | I173 E174 C179 F180 A181 | I173-K177 WeakPolarHBondContact O-CG 3.37Å; I173-K177 PolarHBondContact O-N 3.19Å; E174-K177 PolarHBondContact O-N 3.07Å; E174-K177 IonicContact OE1-NZ 2.77Å; E174-K177 PolarHBondContact OE1-NZ 2.99Å; K177-C179 VanDerWaalsContact C-N 3.35Å; K177-F180 PolarHBondContact O-N 3.45Å; K177-A181 WeakPolarHBondContact O-CB 3.38Å; K177-A181 PolarHBondContact O-N 3.34Å |
| 178 | A | 79.7 | Confident | 76.1 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | E174 F175 F180 A181 L182 | E174-A178 WeakPolarHBondContact O-CB 3.45Å; E174-A178 PolarHBondContact O-N 2.87Å; F175-A178 PolarHBondContact O-N 3.48Å; A178-F180 VanDerWaalsContact C-N 3.35Å; A178-F180 PolarHBondContact O-N 2.91Å; A178-A181 PolarHBondContact O-N 3.36Å; A178-L182 VanDerWaalsContact O-CB 3.25Å; A178-L182 WeakPolarHBondContact O-CB 3.48Å; A178-L182 PolarHBondContact O-N 2.96Å |
| 179 | C | 76.8 | Confident | 77.5 | Confident | 27 Ų | 27 | 76.1 Ų | 76.1 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 175.2 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | F175 A176 K177 L182 Q183 | F175-C179 WeakPolarHBondContact CE1-SG 3.46Å; F175-C179 WeakPolarHBondContact O-CB 3.14Å; F175-C179 PolarHBondContact O-N 2.9Å; F175-C179 PolarHBondContact O-SG 3.06Å; A176-C179 PolarHBondContact O-N 3.04Å; K177-C179 VanDerWaalsContact C-N 3.35Å; C179-L182 PolarHBondContact O-N 3.21Å; C179-Q183 WeakPolarHBondContact O-CB 3.46Å; C179-Q183 PolarHBondContact O-N 3.29Å |
| 180 | F | 82.6 | Confident | 78.9 | Confident | 138 Ų | 138 | 74 Ų | 74 | 61% | 0.605 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | 178.6 | -174.6 | -94.2 | 0 | 0 | 0 | 112.7 | A176 K177 A178 L182 Q183 S184 | A176-F180 WeakPolarHBondContact O-CB 3.29Å; A176-F180 PolarHBondContact O-N 3.03Å; K177-F180 PolarHBondContact O-N 3.45Å; A178-F180 VanDerWaalsContact C-N 3.35Å; A178-F180 PolarHBondContact O-N 2.91Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-Q183 PolarHBondContact O-N 3.46Å; F180-S184 PolarHBondContact O-N 3.05Å; F180-S184 PolarHBondContact O-OG 2.95Å |
| 181 | A | 83.9 | Confident | 80.2 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K177 A178 S184 S185 | K177-A181 WeakPolarHBondContact O-CB 3.38Å; K177-A181 PolarHBondContact O-N 3.34Å; A178-A181 PolarHBondContact O-N 3.36Å; A181-S184 PolarHBondContact O-N 3.19Å; A181-S185 PolarHBondContact O-N 3.08Å |
| 182 | L | 81 | Confident | 81.4 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.1 | -159.2 | 70.6 | 0 | 0 | 0 | 111.1 | L155 L159 A178 C179 F180 S184 S185 V186 | L155-L182 HydrophobicContact CB-CD1 4.36Å; L155-L182 HydrophobicContact CD2-CD1 3.26Å; L155-L182 HydrophobicContact CD2-CG 3.65Å; L155-L182 HydrophobicContact CG-CD1 3.54Å; L155-L182 HydrophobicContact CG-CG 4.15Å; L159-L182 HydrophobicContact CB-CD2 4.05Å; L159-L182 HydrophobicContact CD1-CD2 3.74Å; A178-L182 VanDerWaalsContact O-CB 3.25Å; A178-L182 WeakPolarHBondContact O-CB 3.48Å; A178-L182 PolarHBondContact O-N 2.96Å; C179-L182 PolarHBondContact O-N 3.21Å; F180-L182 VanDerWaalsContact C-N 3.32Å; L182-S184 VanDerWaalsContact C-N 3.29Å; L182-S184 PolarHBondContact O-N 3.35Å; L182-S185 PolarHBondContact O-N 3.34Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 3.38Å |
| 183 | Q | 84.5 | Confident | 82.5 | Confident | 107 Ų | 107 | 74.3 Ų | 74.3 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 177.6 | -169.3 | 177.5 | 11.2 | 0 | 0 | 112.5 | C179 F180 K187 | C179-Q183 WeakPolarHBondContact O-CB 3.46Å; C179-Q183 PolarHBondContact O-N 3.29Å; F180-Q183 PolarHBondContact O-N 3.46Å; Q183-K187 WeakPolarHBondContact O-CG 3.49Å; Q183-K187 PolarHBondContact O-N 3.15Å; Q183-K187 VanDerWaalsContact O-N 3.15Å |
| 184 | S | 86.2 | Confident | 83.3 | Confident | 47 Ų | 47 | 75 Ų | 75 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | F180 A181 L182 V186 K187 E188 | F180-S184 PolarHBondContact O-N 3.05Å; F180-S184 PolarHBondContact O-OG 2.95Å; A181-S184 PolarHBondContact O-N 3.19Å; L182-S184 VanDerWaalsContact C-N 3.29Å; L182-S184 PolarHBondContact O-N 3.35Å; S184-V186 PolarHBondContact O-N 2.97Å; S184-K187 PolarHBondContact O-N 3.28Å; S184-E188 PolarHBondContact O-N 3.09Å; S184-E188 VanDerWaalsContact O-N 3.08Å |
| 185 | S | 84.6 | Confident | 84.1 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | A181 L182 K187 E188 V189 | A181-S185 PolarHBondContact O-N 3.08Å; L182-S185 PolarHBondContact O-N 3.34Å; S185-K187 VanDerWaalsContact C-N 3.35Å; S185-K187 PolarHBondContact O-N 3.37Å; S185-E188 PolarHBondContact O-N 3.32Å; S185-V189 WeakPolarHBondContact O-CG2 3.34Å; S185-V189 PolarHBondContact O-N 3.48Å |
| 186 | V | 82.9 | Confident | 84.9 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 12% | 0.121 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 172.3 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | L152 L155 L182 S184 E188 V189 E190 | L152-V186 HydrophobicContact CD1-CB 4.3Å; L152-V186 HydrophobicContact CD1-CG1 3.82Å; L152-V186 HydrophobicContact CD1-CG2 4.15Å; L155-V186 HydrophobicContact CB-CG2 4.14Å; L155-V186 HydrophobicContact CD2-CG2 3.64Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 3.38Å; S184-V186 PolarHBondContact O-N 2.97Å; V186-E188 VanDerWaalsContact C-N 3.34Å; V186-E188 PolarHBondContact O-N 2.88Å; V186-V189 PolarHBondContact O-N 3.19Å; V186-E190 HydrophobicContact CG1-CG 4.37Å; V186-E190 WeakPolarHBondContact O-CG 3.34Å; V186-E190 PolarHBondContact O-N 3.42Å |
| 187 | K | 88.9 | Confident | 85.5 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 52% | 0.522 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 178.4 | -76.6 | -179.5 | 178.1 | -178.9 | 0 | 113.1 | Q183 S184 S185 E190 L191 | Q183-K187 WeakPolarHBondContact O-CG 3.49Å; Q183-K187 PolarHBondContact O-N 3.15Å; Q183-K187 VanDerWaalsContact O-N 3.15Å; S184-K187 PolarHBondContact O-N 3.28Å; S185-K187 VanDerWaalsContact C-N 3.35Å; S185-K187 PolarHBondContact O-N 3.37Å; K187-E190 PolarHBondContact O-N 3.33Å; K187-L191 WeakPolarHBondContact O-CG 3.48Å; K187-L191 PolarHBondContact O-N 2.99Å |
| 188 | E | 88.3 | Confident | 85.9 | Confident | 137 Ų | 137 | 74 Ų | 74 | 64% | 0.64 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 175.9 | -74.1 | 175.9 | 176.8 | 0 | 0 | 111.6 | S184 S185 V186 L191 E192 | S184-E188 PolarHBondContact O-N 3.09Å; S184-E188 VanDerWaalsContact O-N 3.08Å; S185-E188 PolarHBondContact O-N 3.32Å; V186-E188 VanDerWaalsContact C-N 3.34Å; V186-E188 PolarHBondContact O-N 2.88Å; E188-L191 PolarHBondContact O-N 3.17Å; E188-E192 PolarHBondContact O-N 3Å |
| 189 | V | 84.2 | Confident | 86.4 | Confident | 19 Ų | 19 | 76 Ų | 76 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | L152 S185 V186 L191 E192 I193 | L152-V189 HydrophobicContact CB-CG1 4.22Å; L152-V189 HydrophobicContact CD1-CG1 4.32Å; S185-V189 WeakPolarHBondContact O-CG2 3.34Å; S185-V189 PolarHBondContact O-N 3.48Å; V186-V189 PolarHBondContact O-N 3.19Å; V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 PolarHBondContact O-N 2.97Å; V189-E192 PolarHBondContact O-N 3.05Å; V189-I193 HydrophobicContact CG1-CD1 3.84Å; V189-I193 HydrophobicContact CG1-CG1 4.36Å; V189-I193 WeakPolarHBondContact O-CB 3.44Å; V189-I193 VanDerWaalsContact O-CG1 3.3Å; V189-I193 WeakPolarHBondContact O-CG1 3.4Å; V189-I193 PolarHBondContact O-N 2.94Å |
| 190 | E | 87.9 | Confident | 87 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.4 | -75.2 | 174.6 | 164.9 | 0 | 0 | 112.1 | V186 K187 N194 | V186-E190 HydrophobicContact CG1-CG 4.37Å; V186-E190 WeakPolarHBondContact O-CG 3.34Å; V186-E190 PolarHBondContact O-N 3.42Å; K187-E190 PolarHBondContact O-N 3.33Å; E190-N194 WeakPolarHBondContact O-CB 3.35Å; E190-N194 VanDerWaalsContact O-CG 3.32Å; E190-N194 PolarHBondContact O-N 3.25Å; E190-N194 PolarHBondContact O-ND2 3.21Å |
| 191 | L | 88.9 | Confident | 87.4 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 60% | 0.597 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 174.5 | -72.3 | 170.6 | 0 | 0 | 0 | 111.5 | K187 E188 V189 I193 N194 D195 | K187-L191 WeakPolarHBondContact O-CG 3.48Å; K187-L191 PolarHBondContact O-N 2.99Å; E188-L191 PolarHBondContact O-N 3.17Å; V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 PolarHBondContact O-N 2.97Å; L191-I193 VanDerWaalsContact C-N 3.34Å; L191-I193 PolarHBondContact O-N 3.05Å; L191-N194 PolarHBondContact O-N 3.5Å; L191-D195 PolarHBondContact O-N 3.42Å |
| 192 | E | 88.7 | Confident | 87.7 | Confident | 89 Ų | 89 | 76.5 Ų | 76.5 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.3 | -171.7 | -177.4 | -155.5 | 0 | 0 | 111.7 | S148 E188 V189 N194 D195 L196 | S148-E192 PolarHBondContact OG-OE2 2.76Å; E188-E192 PolarHBondContact O-N 3Å; V189-E192 PolarHBondContact O-N 3.05Å; E192-N194 VanDerWaalsContact C-N 3.34Å; E192-N194 PolarHBondContact O-N 3.24Å; E192-D195 PolarHBondContact O-N 2.92Å; E192-L196 HydrophobicContact CG-CD1 4.12Å; E192-L196 WeakPolarHBondContact O-CB 3.39Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.49Å; E192-L196 PolarHBondContact O-N 3.25Å |
| 193 | I | 85.8 | Confident | 88 | Confident | 29 Ų | 29 | 77.9 Ų | 77.9 | 15% | 0.149 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.9 | -72.1 | 169.5 | 0 | 0 | 0 | 111.1 | L152 V189 L191 L196 N197 | L152-I193 HydrophobicContact CD2-CD1 4.03Å; V189-I193 HydrophobicContact CG1-CD1 3.84Å; V189-I193 HydrophobicContact CG1-CG1 4.36Å; V189-I193 WeakPolarHBondContact O-CB 3.44Å; V189-I193 VanDerWaalsContact O-CG1 3.3Å; V189-I193 WeakPolarHBondContact O-CG1 3.4Å; V189-I193 PolarHBondContact O-N 2.94Å; L191-I193 VanDerWaalsContact C-N 3.34Å; L191-I193 PolarHBondContact O-N 3.05Å; I193-L196 PolarHBondContact O-N 3.4Å; I193-N197 WeakPolarHBondContact O-CB 3.33Å; I193-N197 PolarHBondContact O-N 2.9Å; I193-N197 PolarHBondContact O-ND2 3.01Å |
| 194 | N | 89.5 | Confident | 88.2 | Confident | 99 Ų | 99 | 77.2 Ų | 77.2 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.4 | -78.1 | -32.1 | 0 | 0 | 0 | 112.2 | E190 L191 E192 N197 K198 | E190-N194 WeakPolarHBondContact O-CB 3.35Å; E190-N194 VanDerWaalsContact O-CG 3.32Å; E190-N194 PolarHBondContact O-N 3.25Å; E190-N194 PolarHBondContact O-ND2 3.21Å; L191-N194 PolarHBondContact O-N 3.5Å; E192-N194 VanDerWaalsContact C-N 3.34Å; E192-N194 PolarHBondContact O-N 3.24Å; N194-N197 PolarHBondContact O-N 2.96Å; N194-K198 WeakPolarHBondContact O-CB 3.37Å; N194-K198 PolarHBondContact O-N 3.34Å |
| 195 | D | 90.5 | Very high | 88.4 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.7 | -77.2 | -21.1 | 0 | 0 | 0 | 111.7 | L191 E192 N197 K198 Q199 | L191-D195 PolarHBondContact O-N 3.42Å; E192-D195 PolarHBondContact O-N 2.92Å; D195-N197 PolarHBondContact O-N 3.37Å; D195-K198 WeakPolarHBondContact O-CB 3.34Å; D195-K198 PolarHBondContact O-N 3.49Å; D195-Q199 WeakPolarHBondContact O-CG 3.35Å; D195-Q199 PolarHBondContact O-N 3.4Å |
| 196 | L | 88.3 | Confident | 88.6 | Confident | 14 Ų | 14 | 80.5 Ų | 80.5 | 7% | 0.073 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 174.9 | -72.3 | 168.8 | 0 | 0 | 0 | 112.2 | L141 Q145 E192 I193 K198 Q199 N200 | L141-L196 HydrophobicContact CB-CD2 4.09Å; L141-L196 HydrophobicContact CD2-CD2 3.91Å; L141-L196 HydrophobicContact CG-CD2 4.44Å; Q145-L196 HydrophobicContact CB-CD1 3.84Å; Q145-L196 HydrophobicContact CG-CB 4.44Å; Q145-L196 HydrophobicContact CG-CD1 3.84Å; E192-L196 HydrophobicContact CG-CD1 4.12Å; E192-L196 WeakPolarHBondContact O-CB 3.39Å; E192-L196 VanDerWaalsContact O-CG 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.49Å; E192-L196 PolarHBondContact O-N 3.25Å; I193-L196 PolarHBondContact O-N 3.4Å; L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 3.11Å; L196-Q199 PolarHBondContact O-N 3.45Å; L196-N200 WeakPolarHBondContact O-CB 3.46Å; L196-N200 PolarHBondContact O-N 2.89Å |
| 197 | N | 89.4 | Confident | 88.8 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 39% | 0.39 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 175 | -76.1 | -24.4 | 0 | 0 | 0 | 111.7 | Q145 I193 N194 D195 N200 A201 | Q145-N197 PolarHBondContact NE2-OD1 3.32Å; Q145-N197 VanDerWaalsContact NE2-OD1 3.12Å; I193-N197 WeakPolarHBondContact O-CB 3.33Å; I193-N197 PolarHBondContact O-N 2.9Å; I193-N197 PolarHBondContact O-ND2 3.01Å; N194-N197 PolarHBondContact O-N 2.96Å; D195-N197 PolarHBondContact O-N 3.37Å; N197-N200 PolarHBondContact O-N 3.04Å; N197-A201 WeakPolarHBondContact O-CB 3.33Å; N197-A201 PolarHBondContact O-N 2.9Å |
| 198 | K | 91.7 | Very high | 88.9 | Confident | 135 Ų | 135 | 85.1 Ų | 85.1 | 59% | 0.587 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 175.2 | -173.2 | -179.5 | 178.1 | -175.8 | 0 | 111.7 | N194 D195 L196 A201 Q202 | N194-K198 WeakPolarHBondContact O-CB 3.37Å; N194-K198 PolarHBondContact O-N 3.34Å; D195-K198 WeakPolarHBondContact O-CB 3.34Å; D195-K198 PolarHBondContact O-N 3.49Å; L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 3.11Å; K198-A201 PolarHBondContact O-N 3.23Å; K198-Q202 WeakPolarHBondContact O-CG 3.45Å; K198-Q202 PolarHBondContact O-N 3.33Å; K198-Q202 VanDerWaalsContact O-N 3.17Å |
| 199 | Q | 90 | Very high | 89 | Confident | 86 Ų | 86 | 84 Ų | 84 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.7 | -70.9 | 176.6 | 2.2 | 0 | 0 | 112 | D195 L196 A201 Q202 L203 | D195-Q199 WeakPolarHBondContact O-CG 3.35Å; D195-Q199 PolarHBondContact O-N 3.4Å; L196-Q199 PolarHBondContact O-N 3.45Å; Q199-A201 VanDerWaalsContact C-N 3.33Å; Q199-A201 PolarHBondContact O-N 3.39Å; Q199-Q202 WeakPolarHBondContact O-CB 3.45Å; Q199-Q202 PolarHBondContact O-N 2.95Å; Q199-Q202 VanDerWaalsContact O-N 3.15Å; Q199-L203 PolarHBondContact O-N 2.89Å |
| 200 | N | 88.4 | Confident | 88.9 | Confident | 65 Ų | 65 | 90.8 Ų | 90.8 | 35% | 0.348 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 178 | -165.2 | 30.3 | 0 | 0 | 0 | 111.8 | L196 N197 Q202 L203 I204 | L196-N200 WeakPolarHBondContact O-CB 3.46Å; L196-N200 PolarHBondContact O-N 2.89Å; N197-N200 PolarHBondContact O-N 3.04Å; N200-Q202 VanDerWaalsContact C-N 3.32Å; N200-Q202 PolarHBondContact O-N 3.4Å; N200-L203 PolarHBondContact O-N 2.68Å; N200-I204 WeakPolarHBondContact O-CG1 3.41Å; N200-I204 PolarHBondContact O-N 3.02Å |
| 201 | A | 91.4 | Very high | 88.8 | Confident | 60 Ų | 60 | 89.7 Ų | 89.7 | 50% | 0.496 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N197 K198 Q199 A205 | N197-A201 WeakPolarHBondContact O-CB 3.33Å; N197-A201 PolarHBondContact O-N 2.9Å; K198-A201 PolarHBondContact O-N 3.23Å; Q199-A201 VanDerWaalsContact C-N 3.33Å; Q199-A201 PolarHBondContact O-N 3.39Å; A201-A205 PolarHBondContact O-N 3.1Å; A201-A205 VanDerWaalsContact O-N 3.16Å |
| 202 | Q | 91 | Very high | 88.9 | Confident | 110 Ų | 110 | 91.6 Ų | 91.6 | 51% | 0.514 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 175 | -70.5 | 173.4 | -17.2 | 0 | 0 | 112.1 | K198 Q199 N200 I204 A205 L206 | K198-Q202 WeakPolarHBondContact O-CG 3.45Å; K198-Q202 PolarHBondContact O-N 3.33Å; K198-Q202 VanDerWaalsContact O-N 3.17Å; Q199-Q202 WeakPolarHBondContact O-CB 3.45Å; Q199-Q202 PolarHBondContact O-N 2.95Å; Q199-Q202 VanDerWaalsContact O-N 3.15Å; N200-Q202 VanDerWaalsContact C-N 3.32Å; N200-Q202 PolarHBondContact O-N 3.4Å; Q202-I204 PolarHBondContact O-N 3.4Å; Q202-A205 PolarHBondContact O-N 3.33Å; Q202-L206 WeakPolarHBondContact O-CG 3.35Å; Q202-L206 PolarHBondContact O-N 2.87Å |
| 203 | L | 86.4 | Confident | 88.7 | Confident | 69 Ų | 69 | 92.7 Ų | 92.7 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.8 | -75.3 | 170.2 | 0 | 0 | 0 | 112.6 | Q138 Q199 N200 L206 K207 | Q138-L203 HydrophobicContact CG-CD1 3.97Å; Q199-L203 PolarHBondContact O-N 2.89Å; N200-L203 PolarHBondContact O-N 2.68Å; L203-L206 PolarHBondContact O-N 3Å; L203-K207 WeakPolarHBondContact O-CB 3.43Å; L203-K207 PolarHBondContact O-N 2.99Å |
| 204 | I | 89.7 | Confident | 88.5 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174.3 | -68.3 | 166.5 | 0 | 0 | 0 | 110.3 | N200 Q202 L206 K207 D208 | N200-I204 WeakPolarHBondContact O-CG1 3.41Å; N200-I204 PolarHBondContact O-N 3.02Å; Q202-I204 PolarHBondContact O-N 3.4Å; I204-L206 PolarHBondContact O-N 3.19Å; I204-K207 WeakPolarHBondContact O-CB 3.49Å; I204-K207 PolarHBondContact O-N 3.44Å; I204-D208 PolarHBondContact O-N 3.29Å |
| 205 | A | 90.3 | Very high | 88.3 | Confident | 58 Ų | 58 | 92.2 Ų | 92.2 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A201 Q202 K207 D208 E209 | A201-A205 PolarHBondContact O-N 3.1Å; A201-A205 VanDerWaalsContact O-N 3.16Å; Q202-A205 PolarHBondContact O-N 3.33Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.08Å; A205-D208 PolarHBondContact O-N 3.17Å; A205-E209 PolarHBondContact O-N 3.19Å |
| 206 | L | 88.1 | Confident | 88 | Confident | 105 Ų | 105 | 91.1 Ų | 91.1 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 176.2 | -72.6 | 172.1 | 0 | 0 | 0 | 112.3 | Q202 L203 I204 E209 R210 | Q202-L206 WeakPolarHBondContact O-CG 3.35Å; Q202-L206 PolarHBondContact O-N 2.87Å; L203-L206 PolarHBondContact O-N 3Å; I204-L206 PolarHBondContact O-N 3.19Å; L206-E209 PolarHBondContact O-N 3.49Å; L206-R210 WeakPolarHBondContact O-CB 3.39Å; L206-R210 PolarHBondContact O-N 2.9Å |
| 207 | K | 88.2 | Confident | 87.8 | Confident | 146 Ų | 146 | 96.6 Ų | 96.6 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 175.1 | -175.3 | -178.8 | 177.1 | -177.8 | 0 | 111.4 | L203 I204 A205 E209 R210 S211 | L203-K207 WeakPolarHBondContact O-CB 3.43Å; L203-K207 PolarHBondContact O-N 2.99Å; I204-K207 WeakPolarHBondContact O-CB 3.49Å; I204-K207 PolarHBondContact O-N 3.44Å; A205-K207 VanDerWaalsContact C-N 3.34Å; A205-K207 PolarHBondContact O-N 3.08Å; K207-E209 VanDerWaalsContact C-N 3.34Å; K207-R210 PolarHBondContact O-N 3.37Å; K207-S211 PolarHBondContact O-N 3.32Å; K207-S211 PolarHBondContact O-OG 2.96Å |
| 208 | D | 89.7 | Confident | 87.5 | Confident | 91 Ų | 91 | 97.1 Ų | 97.1 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.7 | -75.4 | -11.5 | 0 | 0 | 0 | 111.7 | I204 A205 S211 K212 | I204-D208 PolarHBondContact O-N 3.29Å; A205-D208 PolarHBondContact O-N 3.17Å; D208-S211 PolarHBondContact O-N 3.38Å; D208-K212 WeakPolarHBondContact O-CG 3.46Å; D208-K212 PolarHBondContact O-N 2.94Å; D208-K212 VanDerWaalsContact O-N 3.11Å |
| 209 | E | 90.2 | Very high | 87.4 | Confident | 113 Ų | 113 | 96.7 Ų | 96.7 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.9 | -171.8 | 171.8 | -169 | 0 | 0 | 111.7 | A205 L206 K207 S211 K212 L213 | A205-E209 PolarHBondContact O-N 3.19Å; L206-E209 PolarHBondContact O-N 3.49Å; K207-E209 VanDerWaalsContact C-N 3.34Å; E209-S211 PolarHBondContact O-N 3.01Å; E209-K212 WeakPolarHBondContact O-CB 3.27Å; E209-K212 PolarHBondContact O-N 2.94Å; E209-K212 VanDerWaalsContact O-N 3.15Å; E209-L213 WeakPolarHBondContact O-CG 3.46Å; E209-L213 PolarHBondContact O-N 3.05Å |
| 210 | R | 82 | Confident | 86.9 | Confident | 162 Ų | 162 | 95.1 Ų | 95.1 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.4 | -45.7 | 174.1 | -178.3 | -176.1 | 175.5 | -164 | 1.4 | 111.8 | L206 K207 K212 L213 V214 | L206-R210 WeakPolarHBondContact O-CB 3.39Å; L206-R210 PolarHBondContact O-N 2.9Å; K207-R210 PolarHBondContact O-N 3.37Å; R210-K212 VanDerWaalsContact C-N 3.26Å; R210-K212 PolarHBondContact O-N 3.27Å; R210-L213 PolarHBondContact O-N 3.49Å; R210-L213 VanDerWaalsContact O-N 3.17Å; R210-V214 HydrophobicContact CG-CG2 4.34Å; R210-V214 WeakPolarHBondContact O-CG2 3.37Å; R210-V214 PolarHBondContact O-N 2.9Å |
| 211 | S | 87.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 98.3 Ų | 98.3 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 177.5 | -74 | 0 | 0 | 0 | 0 | 112.1 | K207 D208 E209 A215 | K207-S211 PolarHBondContact O-N 3.32Å; K207-S211 PolarHBondContact O-OG 2.96Å; D208-S211 PolarHBondContact O-N 3.38Å; E209-S211 PolarHBondContact O-N 3.01Å; S211-A215 WeakPolarHBondContact O-CB 3.37Å; S211-A215 PolarHBondContact O-N 2.96Å; S211-A215 VanDerWaalsContact O-N 3.09Å |
| 212 | K | 90.4 | Very high | 86.2 | Confident | 155 Ų | 155 | 101.3 Ų | 101.3 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 173.6 | -69 | 169.5 | -174.7 | 171.5 | 0 | 112.1 | D208 E209 R210 A215 S216 | D208-K212 WeakPolarHBondContact O-CG 3.46Å; D208-K212 PolarHBondContact O-N 2.94Å; D208-K212 VanDerWaalsContact O-N 3.11Å; E209-K212 WeakPolarHBondContact O-CB 3.27Å; E209-K212 PolarHBondContact O-N 2.94Å; E209-K212 VanDerWaalsContact O-N 3.15Å; R210-K212 VanDerWaalsContact C-N 3.26Å; R210-K212 PolarHBondContact O-N 3.27Å; K212-A215 PolarHBondContact O-N 3.44Å; K212-S216 WeakPolarHBondContact O-CB 3.43Å; K212-S216 PolarHBondContact O-N 2.88Å |
| 213 | L | 84.2 | Confident | 85.9 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 178.2 | -70.9 | 174.2 | 0 | 0 | 0 | 112.2 | E209 R210 S216 R217 | E209-L213 WeakPolarHBondContact O-CG 3.46Å; E209-L213 PolarHBondContact O-N 3.05Å; R210-L213 PolarHBondContact O-N 3.49Å; R210-L213 VanDerWaalsContact O-N 3.17Å; L213-S216 PolarHBondContact O-N 3.4Å; L213-R217 WeakPolarHBondContact O-CB 3.4Å; L213-R217 PolarHBondContact O-N 3.36Å |
| 214 | V | 80.9 | Confident | 85.4 | Confident | 68 Ų | 68 | 106.7 Ų | 106.7 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | R210 S216 R217 E218 | R210-V214 HydrophobicContact CG-CG2 4.34Å; R210-V214 WeakPolarHBondContact O-CG2 3.37Å; R210-V214 PolarHBondContact O-N 2.9Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 3.36Å; V214-R217 PolarHBondContact O-N 3.43Å; V214-E218 PolarHBondContact O-N 3.02Å |
| 215 | A | 86.2 | Confident | 84.9 | Confident | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S211 K212 K219 | S211-A215 WeakPolarHBondContact O-CB 3.37Å; S211-A215 PolarHBondContact O-N 2.96Å; S211-A215 VanDerWaalsContact O-N 3.09Å; K212-A215 PolarHBondContact O-N 3.44Å; A215-K219 WeakPolarHBondContact O-CG 3.46Å; A215-K219 PolarHBondContact O-N 3.06Å |
| 216 | S | 85.1 | Confident | 84.7 | Confident | 77 Ų | 77 | 107.2 Ų | 107.2 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 175.3 | -169.3 | 0 | 0 | 0 | 0 | 112 | K212 L213 V214 K219 A220 | K212-S216 WeakPolarHBondContact O-CB 3.43Å; K212-S216 PolarHBondContact O-N 2.88Å; L213-S216 PolarHBondContact O-N 3.4Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 3.36Å; S216-K219 PolarHBondContact O-N 3.01Å; S216-A220 PolarHBondContact O-N 2.93Å |
| 217 | R | 82.9 | Confident | 84.4 | Confident | 130 Ų | 130 | 105.4 Ų | 105.4 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -44 | 176.8 | -172.9 | -174.7 | 75.6 | 176.2 | 2.5 | 111.7 | L213 V214 K219 A220 R221 | L213-R217 WeakPolarHBondContact O-CB 3.4Å; L213-R217 PolarHBondContact O-N 3.36Å; V214-R217 PolarHBondContact O-N 3.43Å; R217-K219 VanDerWaalsContact C-N 3.35Å; R217-K219 PolarHBondContact O-N 3.36Å; R217-A220 WeakPolarHBondContact O-CB 3.43Å; R217-A220 PolarHBondContact O-N 3.21Å; R217-A220 VanDerWaalsContact O-N 3.11Å; R217-R221 PolarHBondContact O-N 3.29Å |
| 218 | E | 83.8 | Confident | 83.8 | Confident | 84 Ų | 84 | 101.2 Ų | 101.2 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | -179.4 | -157.4 | 58.2 | -148.9 | 0 | 0 | 111.2 | V214 A220 R221 E222 | V214-E218 PolarHBondContact O-N 3.02Å; E218-A220 VanDerWaalsContact C-N 3.27Å; E218-A220 PolarHBondContact O-N 2.92Å; E218-R221 PolarHBondContact O-N 3.34Å; E218-R221 VanDerWaalsContact O-N 3.16Å; E218-R221 IonicContact OE2-NH1 3.94Å; E218-E222 PolarHBondContact O-N 3.11Å |
| 219 | K | 88.9 | Confident | 83.6 | Confident | 125 Ų | 125 | 99.7 Ų | 99.7 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.5 | -35.8 | 171.4 | -74.2 | 177.7 | 179.8 | -179.2 | 0 | 113.2 | A215 S216 R217 R223 | A215-K219 WeakPolarHBondContact O-CG 3.46Å; A215-K219 PolarHBondContact O-N 3.06Å; S216-K219 PolarHBondContact O-N 3.01Å; R217-K219 VanDerWaalsContact C-N 3.35Å; R217-K219 PolarHBondContact O-N 3.36Å; K219-R223 VanDerWaalsContact O-CG 3.27Å; K219-R223 WeakPolarHBondContact O-CG 3.48Å; K219-R223 PolarHBondContact O-N 2.95Å |
| 220 | A | 79.1 | Confident | 83.6 | Confident | 54 Ų | 54 | 99.8 Ų | 99.8 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S216 R217 E218 R223 L224 | S216-A220 PolarHBondContact O-N 2.93Å; R217-A220 WeakPolarHBondContact O-CB 3.43Å; R217-A220 PolarHBondContact O-N 3.21Å; R217-A220 VanDerWaalsContact O-N 3.11Å; E218-A220 VanDerWaalsContact C-N 3.27Å; E218-A220 PolarHBondContact O-N 2.92Å; A220-R223 PolarHBondContact O-N 3.37Å; A220-L224 PolarHBondContact O-N 2.92Å |
| 221 | R | 79.9 | Confident | 83.5 | Confident | 131 Ų | 131 | 97.6 Ų | 97.6 | 49% | 0.494 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 175.4 | -73.4 | 178.4 | 172.7 | 178.7 | -7.8 | 112.5 | R217 E218 R223 L224 A225 | R217-R221 PolarHBondContact O-N 3.29Å; E218-R221 PolarHBondContact O-N 3.34Å; E218-R221 VanDerWaalsContact O-N 3.16Å; E218-R221 IonicContact OE2-NH1 3.94Å; R221-R223 VanDerWaalsContact C-N 3.3Å; R221-R223 PolarHBondContact O-N 3.14Å; R221-L224 PolarHBondContact O-N 3.38Å; R221-A225 WeakPolarHBondContact O-CB 3.42Å; R221-A225 PolarHBondContact O-N 3.43Å |
| 222 | E | 84.9 | Confident | 83.1 | Confident | 124 Ų | 124 | 97 Ų | 97 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.4 | -41.5 | 175 | -74.4 | 176.3 | 175.6 | 0 | 0 | 111.8 | E218 L226 | E218-E222 PolarHBondContact O-N 3.11Å; E222-L226 WeakPolarHBondContact O-CB 3.24Å; E222-L226 PolarHBondContact O-N 3.27Å |
| 223 | R | 86.1 | Confident | 83.1 | Confident | 179 Ų | 179 | 95.6 Ų | 95.6 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 175.9 | -74.1 | 172.2 | -176.4 | 177.6 | 0 | 112 | K219 A220 R221 L226 T227 | K219-R223 VanDerWaalsContact O-CG 3.27Å; K219-R223 WeakPolarHBondContact O-CG 3.48Å; K219-R223 PolarHBondContact O-N 2.95Å; A220-R223 PolarHBondContact O-N 3.37Å; R221-R223 VanDerWaalsContact C-N 3.3Å; R221-R223 PolarHBondContact O-N 3.14Å; R223-L226 PolarHBondContact O-N 3Å; R223-T227 WeakPolarHBondContact O-CG2 3.46Å; R223-T227 PolarHBondContact O-N 2.92Å; R223-T227 PolarHBondContact O-OG1 3.17Å |
| 224 | L | 75.5 | Confident | 83.1 | Confident | 113 Ų | 113 | 95.9 Ų | 95.9 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 178.5 | -177.5 | 66 | 0 | 0 | 0 | 111.4 | A220 R221 L226 T227 S228 | A220-L224 PolarHBondContact O-N 2.92Å; R221-L224 PolarHBondContact O-N 3.38Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.1Å; L224-T227 WeakPolarHBondContact CA-OG1 3.42Å; L224-T227 PolarHBondContact O-N 3.19Å; L224-T227 PolarHBondContact O-OG1 3.41Å; L224-S228 WeakPolarHBondContact O-CB 3.38Å; L224-S228 PolarHBondContact O-N 2.98Å; L224-S228 PolarHBondContact O-OG 2.98Å; L224-S228 VanDerWaalsContact O-OG 3.14Å |
| 225 | A | 78.6 | Confident | 83.4 | Confident | 63 Ų | 63 | 98 Ų | 98 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R221 S229 | R221-A225 WeakPolarHBondContact O-CB 3.42Å; R221-A225 PolarHBondContact O-N 3.43Å; A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3Å |
| 226 | L | 86.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 177.2 | -174.5 | 68.8 | 0 | 0 | 0 | 112.5 | E222 R223 L224 K230 | E222-L226 WeakPolarHBondContact O-CB 3.24Å; E222-L226 PolarHBondContact O-N 3.27Å; R223-L226 PolarHBondContact O-N 3Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.1Å; L226-K230 WeakPolarHBondContact O-CG 3.44Å; L226-K230 PolarHBondContact O-N 3.36Å; L226-K230 VanDerWaalsContact O-N 3.11Å |
| 227 | T | 81.2 | Confident | 83.9 | Confident | 66 Ų | 66 | 102.7 Ų | 102.7 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 178.1 | 50.5 | 0 | 0 | 0 | 0 | 111 | R223 L224 S229 K230 E231 | R223-T227 WeakPolarHBondContact O-CG2 3.46Å; R223-T227 PolarHBondContact O-N 2.92Å; R223-T227 PolarHBondContact O-OG1 3.17Å; L224-T227 WeakPolarHBondContact CA-OG1 3.42Å; L224-T227 PolarHBondContact O-N 3.19Å; L224-T227 PolarHBondContact O-OG1 3.41Å; T227-S229 VanDerWaalsContact C-N 3.32Å; T227-S229 PolarHBondContact O-N 3.18Å; T227-K230 PolarHBondContact O-N 3.34Å; T227-K230 VanDerWaalsContact O-N 3.14Å; T227-E231 WeakPolarHBondContact O-CG 3.35Å; T227-E231 PolarHBondContact O-N 2.94Å |
| 228 | S | 77 | Confident | 84 | Confident | 58 Ų | 58 | 102.1 Ų | 102.1 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -37 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | L224 A232 | L224-S228 WeakPolarHBondContact O-CB 3.38Å; L224-S228 PolarHBondContact O-N 2.98Å; L224-S228 PolarHBondContact O-OG 2.98Å; L224-S228 VanDerWaalsContact O-OG 3.14Å; S228-A232 WeakPolarHBondContact O-CB 3.38Å; S228-A232 PolarHBondContact O-N 2.94Å |
| 229 | S | 84.5 | Confident | 84 | Confident | 59 Ų | 59 | 103.3 Ų | 103.3 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.1 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | A225 T227 A232 E233 | A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3Å; T227-S229 VanDerWaalsContact C-N 3.32Å; T227-S229 PolarHBondContact O-N 3.18Å; S229-A232 PolarHBondContact O-N 3.27Å; S229-E233 WeakPolarHBondContact O-CG 3.48Å; S229-E233 PolarHBondContact O-N 3.16Å |
| 230 | K | 90.6 | Very high | 84.1 | Confident | 116 Ų | 116 | 102.8 Ų | 102.8 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 178 | -74.8 | 177.1 | 178.3 | -176 | 0 | 112.1 | L226 T227 E233 L234 | L226-K230 WeakPolarHBondContact O-CG 3.44Å; L226-K230 PolarHBondContact O-N 3.36Å; L226-K230 VanDerWaalsContact O-N 3.11Å; T227-K230 PolarHBondContact O-N 3.34Å; T227-K230 VanDerWaalsContact O-N 3.14Å; K230-E233 PolarHBondContact O-N 2.95Å; K230-L234 WeakPolarHBondContact O-CG 3.46Å; K230-L234 PolarHBondContact O-N 3.44Å |
| 231 | E | 80.1 | Confident | 84.6 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.3 | -74.3 | 166.4 | -174.1 | 0 | 0 | 111.1 | T227 E233 L234 L235 | T227-E231 WeakPolarHBondContact O-CG 3.35Å; T227-E231 PolarHBondContact O-N 2.94Å; E231-E233 VanDerWaalsContact C-N 3.34Å; E231-E233 PolarHBondContact O-N 2.75Å; E231-L234 PolarHBondContact O-N 2.9Å; E231-L235 WeakPolarHBondContact O-CG 3.36Å; E231-L235 PolarHBondContact O-N 3.5Å |
| 232 | A | 79.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S228 S229 K236 | S228-A232 WeakPolarHBondContact O-CB 3.38Å; S228-A232 PolarHBondContact O-N 2.94Å; S229-A232 PolarHBondContact O-N 3.27Å; A232-K236 WeakPolarHBondContact O-CB 3.49Å; A232-K236 PolarHBondContact O-N 2.88Å; A232-K236 VanDerWaalsContact O-N 3.08Å |
| 233 | E | 89 | Confident | 85.2 | Confident | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 174.4 | -76.4 | 176.5 | 175.7 | 0 | 0 | 112.3 | S229 K230 E231 K236 T237 | S229-E233 WeakPolarHBondContact O-CG 3.48Å; S229-E233 PolarHBondContact O-N 3.16Å; K230-E233 PolarHBondContact O-N 2.95Å; E231-E233 VanDerWaalsContact C-N 3.34Å; E231-E233 PolarHBondContact O-N 2.75Å; E233-K236 PolarHBondContact O-N 3.28Å; E233-T237 PolarHBondContact O-N 3.05Å; E233-T237 PolarHBondContact O-OG1 3.43Å |
| 234 | L | 85.9 | Confident | 85.5 | Confident | 116 Ų | 116 | 97 Ų | 97 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 177.1 | -74.4 | 170.6 | 0 | 0 | 0 | 111.8 | K230 E231 K236 T237 E238 | K230-L234 WeakPolarHBondContact O-CG 3.46Å; K230-L234 PolarHBondContact O-N 3.44Å; E231-L234 PolarHBondContact O-N 2.9Å; L234-K236 VanDerWaalsContact C-N 3.26Å; L234-K236 PolarHBondContact O-N 3.14Å; L234-T237 WeakPolarHBondContact CA-OG1 3.43Å; L234-T237 PolarHBondContact O-N 3.47Å; L234-T237 VanDerWaalsContact O-N 3.1Å; L234-T237 PolarHBondContact O-OG1 2.94Å; L234-E238 PolarHBondContact O-N 3.2Å |
| 235 | L | 85.8 | Confident | 86.2 | Confident | 113 Ų | 113 | 96.8 Ų | 96.8 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.7 | -38.7 | 177.1 | -72.7 | 173 | 0 | 0 | 0 | 111.7 | E231 E238 E239 | E231-L235 WeakPolarHBondContact O-CG 3.36Å; E231-L235 PolarHBondContact O-N 3.5Å; L235-E238 PolarHBondContact O-N 3.11Å; L235-E239 WeakPolarHBondContact O-CB 3.47Å; L235-E239 PolarHBondContact O-N 3.27Å |
| 236 | K | 90.7 | Very high | 86.6 | Confident | 148 Ų | 148 | 97.1 Ų | 97.1 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.4 | -38.7 | 176.2 | -173.6 | 177.9 | -178.8 | -179.8 | 0 | 112.3 | A232 E233 L234 M240 | A232-K236 WeakPolarHBondContact O-CB 3.49Å; A232-K236 PolarHBondContact O-N 2.88Å; A232-K236 VanDerWaalsContact O-N 3.08Å; E233-K236 PolarHBondContact O-N 3.28Å; L234-K236 VanDerWaalsContact C-N 3.26Å; L234-K236 PolarHBondContact O-N 3.14Å; K236-M240 PolarHBondContact O-N 3.41Å; K236-M240 VanDerWaalsContact O-N 3.17Å |
| 237 | T | 90.7 | Very high | 86.9 | Confident | 79 Ų | 79 | 96.8 Ų | 96.8 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 175.5 | 51 | 0 | 0 | 0 | 0 | 111.9 | E233 L234 M240 D241 | E233-T237 PolarHBondContact O-N 3.05Å; E233-T237 PolarHBondContact O-OG1 3.43Å; L234-T237 WeakPolarHBondContact CA-OG1 3.43Å; L234-T237 PolarHBondContact O-N 3.47Å; L234-T237 VanDerWaalsContact O-N 3.1Å; L234-T237 PolarHBondContact O-OG1 2.94Å; T237-M240 WeakPolarHBondContact O-CB 3.39Å; T237-M240 PolarHBondContact O-N 3.25Å; T237-D241 PolarHBondContact O-N 2.86Å |
| 238 | E | 85.4 | Confident | 87.4 | Confident | 117 Ų | 117 | 99.8 Ų | 99.8 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 177.5 | -174.2 | 172.7 | -167.3 | 0 | 0 | 111.9 | L234 L235 M240 D241 L242 | L234-E238 PolarHBondContact O-N 3.2Å; L235-E238 PolarHBondContact O-N 3.11Å; E238-M240 VanDerWaalsContact C-N 3.31Å; E238-M240 PolarHBondContact O-N 3.31Å; E238-D241 PolarHBondContact O-N 3.32Å; E238-L242 HydrophobicContact CG-CD1 4.28Å; E238-L242 WeakPolarHBondContact O-CB 3.47Å; E238-L242 WeakPolarHBondContact O-CG 3.5Å; E238-L242 PolarHBondContact O-N 3.43Å |
| 239 | E | 85.1 | Confident | 88.1 | Confident | 109 Ų | 109 | 102 Ų | 102 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 173.6 | -171.4 | -170 | 169.5 | 0 | 0 | 111.3 | L235 D241 L242 Q243 | L235-E239 WeakPolarHBondContact O-CB 3.47Å; L235-E239 PolarHBondContact O-N 3.27Å; E239-D241 PolarHBondContact O-N 2.9Å; E239-L242 PolarHBondContact O-N 2.87Å; E239-Q243 WeakPolarHBondContact O-CB 3.27Å; E239-Q243 VanDerWaalsContact O-CG 3.26Å; E239-Q243 WeakPolarHBondContact O-CG 3.08Å; E239-Q243 PolarHBondContact O-N 2.97Å; E239-Q243 PolarHBondContact OE1-NE2 2.98Å |
| 240 | M | 91.2 | Very high | 88.4 | Confident | 115 Ų | 115 | 104.8 Ų | 104.8 | 57% | 0.567 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 178.1 | -118.3 | -178.2 | 59.9 | 0 | 0 | 112.5 | K236 T237 E238 T244 | K236-M240 PolarHBondContact O-N 3.41Å; K236-M240 VanDerWaalsContact O-N 3.17Å; T237-M240 WeakPolarHBondContact O-CB 3.39Å; T237-M240 PolarHBondContact O-N 3.25Å; E238-M240 VanDerWaalsContact C-N 3.31Å; E238-M240 PolarHBondContact O-N 3.31Å; M240-T244 PolarHBondContact O-N 3.09Å; M240-T244 PolarHBondContact O-OG1 3.4Å |
| 241 | D | 89.1 | Confident | 88.5 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 177.8 | -76.7 | -16.1 | 0 | 0 | 0 | 111.3 | T237 E238 E239 T244 Q245 | T237-D241 PolarHBondContact O-N 2.86Å; E238-D241 PolarHBondContact O-N 3.32Å; E239-D241 PolarHBondContact O-N 2.9Å; D241-T244 WeakPolarHBondContact O-CB 3.25Å; D241-T244 PolarHBondContact O-N 3.32Å; D241-Q245 WeakPolarHBondContact O-CG 3.34Å; D241-Q245 PolarHBondContact O-N 3.11Å |
| 242 | L | 89.1 | Confident | 89.2 | Confident | 90 Ų | 90 | 104.9 Ų | 104.9 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.4 | -72.4 | 173.9 | 0 | 0 | 0 | 111.9 | E238 E239 T244 Q245 V246 | E238-L242 HydrophobicContact CG-CD1 4.28Å; E238-L242 WeakPolarHBondContact O-CB 3.47Å; E238-L242 WeakPolarHBondContact O-CG 3.5Å; E238-L242 PolarHBondContact O-N 3.43Å; E239-L242 PolarHBondContact O-N 2.87Å; L242-T244 VanDerWaalsContact C-N 3.27Å; L242-T244 PolarHBondContact O-N 2.97Å; L242-Q245 PolarHBondContact O-N 2.95Å; L242-V246 WeakPolarHBondContact O-CG2 3.33Å; L242-V246 PolarHBondContact O-N 3.36Å |
| 243 | Q | 88 | Confident | 89.7 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 174.6 | -75.3 | 178.3 | 12.8 | 0 | 0 | 111.4 | E239 V246 V247 | E239-Q243 WeakPolarHBondContact O-CB 3.27Å; E239-Q243 VanDerWaalsContact O-CG 3.26Å; E239-Q243 WeakPolarHBondContact O-CG 3.08Å; E239-Q243 PolarHBondContact O-N 2.97Å; E239-Q243 PolarHBondContact OE1-NE2 2.98Å; Q243-V246 PolarHBondContact O-N 3Å; Q243-V247 WeakPolarHBondContact O-CG2 3.2Å; Q243-V247 PolarHBondContact O-N 3.23Å; Q243-V247 VanDerWaalsContact O-N 3.09Å |
| 244 | T | 91.6 | Very high | 89.9 | Confident | 73 Ų | 73 | 106.7 Ų | 106.7 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | M240 D241 L242 V247 K248 | M240-T244 PolarHBondContact O-N 3.09Å; M240-T244 PolarHBondContact O-OG1 3.4Å; D241-T244 WeakPolarHBondContact O-CB 3.25Å; D241-T244 PolarHBondContact O-N 3.32Å; L242-T244 VanDerWaalsContact C-N 3.27Å; L242-T244 PolarHBondContact O-N 2.97Å; T244-V247 PolarHBondContact O-N 3.15Å; T244-K248 PolarHBondContact O-N 3.45Å |
| 245 | Q | 90 | Very high | 90.1 | Very high | 109 Ų | 109 | 105.6 Ų | 105.6 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 176.2 | -71 | 178.9 | 49.3 | 0 | 0 | 112.1 | D241 L242 V247 K248 L249 | D241-Q245 WeakPolarHBondContact O-CG 3.34Å; D241-Q245 PolarHBondContact O-N 3.11Å; L242-Q245 PolarHBondContact O-N 2.95Å; Q245-V247 VanDerWaalsContact C-N 3.28Å; Q245-V247 PolarHBondContact O-N 3.17Å; Q245-K248 PolarHBondContact O-N 3.41Å; Q245-L249 WeakPolarHBondContact O-CG 3.43Å; Q245-L249 PolarHBondContact O-N 3.15Å |
| 246 | V | 88.9 | Confident | 90.2 | Very high | 70 Ų | 70 | 104.6 Ų | 104.6 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 176.6 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | L242 Q243 K250 | L242-V246 WeakPolarHBondContact O-CG2 3.33Å; L242-V246 PolarHBondContact O-N 3.36Å; Q243-V246 PolarHBondContact O-N 3Å; V246-K250 HydrophobicContact CG1-CD 4.18Å; V246-K250 WeakPolarHBondContact O-CB 3.36Å; V246-K250 VanDerWaalsContact O-CG 3.29Å; V246-K250 WeakPolarHBondContact O-CG 3.44Å; V246-K250 PolarHBondContact O-N 3.42Å |
| 247 | V | 92.4 | Very high | 90.3 | Very high | 91 Ų | 91 | 105 Ų | 105 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -46.1 | 175.7 | 171 | 0 | 0 | 0 | 0 | 111 | Q243 T244 Q245 K250 E251 | Q243-V247 WeakPolarHBondContact O-CG2 3.2Å; Q243-V247 PolarHBondContact O-N 3.23Å; Q243-V247 VanDerWaalsContact O-N 3.09Å; T244-V247 PolarHBondContact O-N 3.15Å; Q245-V247 VanDerWaalsContact C-N 3.28Å; Q245-V247 PolarHBondContact O-N 3.17Å; V247-K250 PolarHBondContact O-N 3.42Å; V247-E251 PolarHBondContact O-N 2.99Å; V247-E251 VanDerWaalsContact O-N 3.15Å |
| 248 | K | 91.2 | Very high | 90.4 | Very high | 129 Ų | 129 | 106.6 Ų | 106.6 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.1 | -47.7 | 177.2 | -70.5 | 178.9 | 179.5 | 178.7 | 0 | 112.3 | T244 Q245 K250 E251 E252 | T244-K248 PolarHBondContact O-N 3.45Å; Q245-K248 PolarHBondContact O-N 3.41Å; K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 3.38Å; K248-E251 WeakPolarHBondContact O-CB 3.49Å; K248-E251 PolarHBondContact O-N 2.96Å; K248-E251 VanDerWaalsContact O-N 3.08Å; K248-E252 PolarHBondContact O-N 3.41Å |
| 249 | L | 90.6 | Very high | 90.6 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 178.5 | -70.6 | 172.8 | 0 | 0 | 0 | 112.5 | Q245 E251 R253 | Q245-L249 WeakPolarHBondContact O-CG 3.43Å; Q245-L249 PolarHBondContact O-N 3.15Å; L249-E251 VanDerWaalsContact C-N 3.32Å; L249-R253 VanDerWaalsContact O-CB 3.28Å; L249-R253 WeakPolarHBondContact O-CB 3.48Å; L249-R253 PolarHBondContact O-N 2.88Å |
| 250 | K | 91.9 | Very high | 90.8 | Very high | 117 Ų | 117 | 100.4 Ų | 100.4 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 174.4 | -79.4 | 173.5 | -179.6 | 174 | 0 | 112.1 | V246 V247 K248 N254 | V246-K250 HydrophobicContact CG1-CD 4.18Å; V246-K250 WeakPolarHBondContact O-CB 3.36Å; V246-K250 VanDerWaalsContact O-CG 3.29Å; V246-K250 WeakPolarHBondContact O-CG 3.44Å; V246-K250 PolarHBondContact O-N 3.42Å; V247-K250 PolarHBondContact O-N 3.42Å; K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 3.38Å; K250-N254 PolarHBondContact O-N 3.33Å; K250-N254 PolarHBondContact O-ND2 3.02Å; K250-N254 PolarHBondContact O-OD1 2.9Å |
| 251 | E | 92.9 | Very high | 90.9 | Very high | 126 Ų | 126 | 100.2 Ų | 100.2 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -48.1 | 176.9 | -172 | 165.5 | -171.5 | 0 | 0 | 111.3 | V247 K248 L249 R253 N254 I255 | V247-E251 PolarHBondContact O-N 2.99Å; V247-E251 VanDerWaalsContact O-N 3.15Å; K248-E251 WeakPolarHBondContact O-CB 3.49Å; K248-E251 PolarHBondContact O-N 2.96Å; K248-E251 VanDerWaalsContact O-N 3.08Å; L249-E251 VanDerWaalsContact C-N 3.32Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 2.9Å; E251-N254 WeakPolarHBondContact O-CB 3.47Å; E251-N254 PolarHBondContact O-N 3.43Å; E251-I255 HydrophobicContact CG-CD1 4.38Å; E251-I255 WeakPolarHBondContact O-CG1 3.07Å; E251-I255 PolarHBondContact O-N 2.99Å |
| 252 | E | 93.3 | Very high | 91 | Very high | 108 Ų | 108 | 102.1 Ų | 102.1 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 175.1 | -71.6 | 171.8 | -174.3 | 0 | 0 | 112.1 | K248 N254 I255 L256 | K248-E252 PolarHBondContact O-N 3.41Å; E252-N254 VanDerWaalsContact C-N 3.28Å; E252-N254 PolarHBondContact O-N 3.33Å; E252-I255 PolarHBondContact O-N 3.48Å; E252-L256 WeakPolarHBondContact O-CG 3.36Å; E252-L256 PolarHBondContact O-N 3.25Å |
| 253 | R | 92 | Very high | 91.1 | Very high | 152 Ų | 152 | 100.7 Ų | 100.7 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.8 | -40.3 | 174.6 | -174.1 | -152.8 | 68.3 | 177.8 | -0.5 | 112 | L249 E251 K257 | L249-R253 VanDerWaalsContact O-CB 3.28Å; L249-R253 WeakPolarHBondContact O-CB 3.48Å; L249-R253 PolarHBondContact O-N 2.88Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 2.9Å; R253-K257 WeakPolarHBondContact O-CB 3.49Å; R253-K257 PolarHBondContact O-N 3.34Å |
| 254 | N | 91.4 | Very high | 91.2 | Very high | 70 Ų | 70 | 99.9 Ų | 99.9 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 178.7 | -69.4 | -18.3 | 0 | 0 | 0 | 111.2 | K250 E251 E252 L256 K257 E258 | K250-N254 PolarHBondContact O-N 3.33Å; K250-N254 PolarHBondContact O-ND2 3.02Å; K250-N254 PolarHBondContact O-OD1 2.9Å; E251-N254 WeakPolarHBondContact O-CB 3.47Å; E251-N254 PolarHBondContact O-N 3.43Å; E252-N254 VanDerWaalsContact C-N 3.28Å; E252-N254 PolarHBondContact O-N 3.33Å; N254-L256 VanDerWaalsContact C-N 3.34Å; N254-L256 PolarHBondContact O-N 2.92Å; N254-K257 PolarHBondContact O-N 3.07Å; N254-E258 WeakPolarHBondContact O-CG 3.45Å; N254-E258 PolarHBondContact O-N 3.42Å |
| 255 | I | 91.5 | Very high | 91.2 | Very high | 93 Ų | 93 | 100.3 Ų | 100.3 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 175.6 | -66.1 | 167.3 | 0 | 0 | 0 | 110.8 | E251 E252 E258 A259 | E251-I255 HydrophobicContact CG-CD1 4.38Å; E251-I255 WeakPolarHBondContact O-CG1 3.07Å; E251-I255 PolarHBondContact O-N 2.99Å; E252-I255 PolarHBondContact O-N 3.48Å; I255-E258 PolarHBondContact O-N 3.02Å; I255-A259 WeakPolarHBondContact O-CB 3.35Å; I255-A259 PolarHBondContact O-N 3.22Å |
| 256 | L | 88.3 | Confident | 91.4 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 177.9 | -72 | 174.8 | 0 | 0 | 0 | 112.3 | E252 N254 E258 A259 A260 | E252-L256 WeakPolarHBondContact O-CG 3.36Å; E252-L256 PolarHBondContact O-N 3.25Å; N254-L256 VanDerWaalsContact C-N 3.34Å; N254-L256 PolarHBondContact O-N 2.92Å; L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 3.45Å; L256-A259 PolarHBondContact O-N 2.97Å; L256-A260 WeakPolarHBondContact O-CB 3.48Å; L256-A260 PolarHBondContact O-N 2.91Å |
| 257 | K | 91.9 | Very high | 91.5 | Very high | 155 Ų | 155 | 100.1 Ų | 100.1 | 67% | 0.674 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 176.1 | -172.9 | 179 | 179.1 | -178.2 | 0 | 111.8 | R253 N254 Q261 | R253-K257 WeakPolarHBondContact O-CB 3.49Å; R253-K257 PolarHBondContact O-N 3.34Å; N254-K257 PolarHBondContact O-N 3.07Å; K257-Q261 PolarHBondContact O-N 3.08Å |
| 258 | E | 92.5 | Very high | 91.5 | Very high | 114 Ų | 114 | 98.1 Ų | 98.1 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 175.1 | -69.3 | 179 | -175.2 | 0 | 0 | 112.3 | N254 I255 L256 Q261 R262 | N254-E258 WeakPolarHBondContact O-CG 3.45Å; N254-E258 PolarHBondContact O-N 3.42Å; I255-E258 PolarHBondContact O-N 3.02Å; L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 3.45Å; E258-Q261 PolarHBondContact O-N 2.93Å; E258-R262 WeakPolarHBondContact O-CG 3.43Å; E258-R262 PolarHBondContact O-N 3.39Å; E258-R262 IonicContact OE2-NH1 3.86Å |
| 259 | A | 91 | Very high | 91.5 | Very high | 38 Ų | 38 | 97.7 Ų | 97.7 | 31% | 0.314 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | I255 L256 Q261 R262 A263 | I255-A259 WeakPolarHBondContact O-CB 3.35Å; I255-A259 PolarHBondContact O-N 3.22Å; L256-A259 PolarHBondContact O-N 2.97Å; A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 2.76Å; A259-R262 PolarHBondContact O-N 3.2Å; A259-A263 PolarHBondContact O-N 3.49Å |
| 260 | A | 89.2 | Confident | 91.5 | Very high | 58 Ų | 58 | 97 Ų | 97 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L256 R262 A263 E264 | L256-A260 WeakPolarHBondContact O-CB 3.48Å; L256-A260 PolarHBondContact O-N 2.91Å; A260-R262 PolarHBondContact O-N 3.16Å; A260-A263 PolarHBondContact O-N 3Å; A260-E264 PolarHBondContact O-N 3.01Å |
| 261 | Q | 92.3 | Very high | 91.6 | Very high | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -42 | 176.1 | -173 | 60.8 | 51.5 | 0 | 0 | 112.1 | K257 E258 A259 A263 E264 N265 | K257-Q261 PolarHBondContact O-N 3.08Å; E258-Q261 PolarHBondContact O-N 2.93Å; A259-Q261 VanDerWaalsContact C-N 3.34Å; A259-Q261 PolarHBondContact O-N 2.76Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; Q261-A263 PolarHBondContact O-N 3.28Å; Q261-E264 PolarHBondContact O-N 3.25Å; Q261-N265 PolarHBondContact NE2-OD1 2.84Å; Q261-N265 VanDerWaalsContact O-CG 3.25Å; Q261-N265 PolarHBondContact O-N 2.97Å; Q261-N265 PolarHBondContact O-OD1 3.41Å |
| 262 | R | 91.1 | Very high | 91.6 | Very high | 136 Ų | 136 | 94.7 Ų | 94.7 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 174.5 | -73.5 | -172.5 | -65.8 | -94.3 | 1.9 | 111.6 | E258 A259 A260 N265 T266 | E258-R262 WeakPolarHBondContact O-CG 3.43Å; E258-R262 PolarHBondContact O-N 3.39Å; E258-R262 IonicContact OE2-NH1 3.86Å; A259-R262 PolarHBondContact O-N 3.2Å; A260-R262 PolarHBondContact O-N 3.16Å; R262-N265 PolarHBondContact O-N 3.47Å; R262-T266 PolarHBondContact O-N 3.26Å; R262-T266 PolarHBondContact O-OG1 2.76Å |
| 263 | A | 90.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 94.9 Ų | 94.9 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A259 A260 Q261 T266 K267 | A259-A263 PolarHBondContact O-N 3.49Å; A260-A263 PolarHBondContact O-N 3Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; Q261-A263 PolarHBondContact O-N 3.28Å; A263-T266 PolarHBondContact O-N 2.67Å; A263-K267 WeakPolarHBondContact O-CB 3.45Å; A263-K267 PolarHBondContact O-N 3.11Å |
| 264 | E | 90.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 92.6 Ų | 92.6 | 42% | 0.416 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 175.9 | -82.1 | -62.7 | 139.7 | 0 | 0 | 112.5 | A260 Q261 K267 A268 | A260-E264 PolarHBondContact O-N 3.01Å; Q261-E264 PolarHBondContact O-N 3.25Å; E264-K267 PolarHBondContact O-N 3.47Å; E264-K267 IonicContact OE1-NZ 2.9Å; E264-K267 PolarHBondContact OE1-NZ 3.07Å; E264-K267 IonicContact OE2-NZ 3.7Å; E264-A268 PolarHBondContact O-N 2.79Å |
| 265 | N | 92.9 | Very high | 91.6 | Very high | 82 Ų | 82 | 95.6 Ų | 95.6 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 173.5 | -67.7 | -7 | 0 | 0 | 0 | 111.3 | Q261 R262 K267 A268 E269 | Q261-N265 PolarHBondContact NE2-OD1 2.84Å; Q261-N265 VanDerWaalsContact O-CG 3.25Å; Q261-N265 PolarHBondContact O-N 2.97Å; Q261-N265 PolarHBondContact O-OD1 3.41Å; R262-N265 PolarHBondContact O-N 3.47Å; N265-K267 VanDerWaalsContact C-N 3.29Å; N265-K267 PolarHBondContact O-N 2.85Å; N265-A268 WeakPolarHBondContact O-CB 3.41Å; N265-A268 PolarHBondContact O-N 2.86Å; N265-E269 PolarHBondContact O-N 3.17Å |
| 266 | T | 92.7 | Very high | 91.6 | Very high | 71 Ų | 71 | 96.9 Ų | 96.9 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 112 | R262 A263 A268 E269 L270 | R262-T266 PolarHBondContact O-N 3.26Å; R262-T266 PolarHBondContact O-OG1 2.76Å; A263-T266 PolarHBondContact O-N 2.67Å; T266-A268 VanDerWaalsContact C-N 3.31Å; T266-A268 PolarHBondContact O-N 2.63Å; T266-E269 PolarHBondContact O-N 3.02Å; T266-L270 HydrophobicContact CG2-CD1 4.21Å; T266-L270 WeakPolarHBondContact O-CB 3.44Å; T266-L270 WeakPolarHBondContact O-CG 3.4Å; T266-L270 PolarHBondContact O-N 3.43Å |
| 267 | K | 91.6 | Very high | 91.8 | Very high | 105 Ų | 105 | 97.7 Ų | 97.7 | 46% | 0.457 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -32.9 | 174.5 | 179.4 | -177.9 | 168.9 | -169.1 | 0 | 112.6 | A263 E264 N265 R271 | A263-K267 WeakPolarHBondContact O-CB 3.45Å; A263-K267 PolarHBondContact O-N 3.11Å; E264-K267 PolarHBondContact O-N 3.47Å; E264-K267 IonicContact OE1-NZ 2.9Å; E264-K267 PolarHBondContact OE1-NZ 3.07Å; E264-K267 IonicContact OE2-NZ 3.7Å; N265-K267 VanDerWaalsContact C-N 3.29Å; N265-K267 PolarHBondContact O-N 2.85Å; K267-R271 WeakPolarHBondContact O-CG 3.33Å; K267-R271 PolarHBondContact O-N 3.12Å; K267-R271 PolarHBondContact O-NE 2.87Å |
| 268 | A | 91.6 | Very high | 91.8 | Very high | 48 Ų | 48 | 95.9 Ų | 95.9 | 40% | 0.397 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | E264 N265 T266 L270 R271 D272 | E264-A268 PolarHBondContact O-N 2.79Å; N265-A268 WeakPolarHBondContact O-CB 3.41Å; N265-A268 PolarHBondContact O-N 2.86Å; T266-A268 VanDerWaalsContact C-N 3.31Å; T266-A268 PolarHBondContact O-N 2.63Å; A268-L270 PolarHBondContact O-N 3.43Å; A268-R271 PolarHBondContact O-N 3.43Å; A268-D272 PolarHBondContact O-N 3.3Å; A268-D272 VanDerWaalsContact O-N 3.09Å |
| 269 | E | 92.3 | Very high | 91.9 | Very high | 121 Ų | 121 | 93.5 Ų | 93.5 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 175.4 | -68.5 | 170.8 | 175.4 | 0 | 0 | 112.2 | N265 T266 R271 D272 M273 | N265-E269 PolarHBondContact O-N 3.17Å; T266-E269 PolarHBondContact O-N 3.02Å; E269-R271 VanDerWaalsContact C-N 3.33Å; E269-R271 PolarHBondContact O-N 3.45Å; E269-D272 PolarHBondContact O-N 3.17Å; E269-M273 WeakPolarHBondContact O-CG 3.39Å; E269-M273 PolarHBondContact O-N 3.15Å |
| 270 | L | 91.3 | Very high | 92 | Very high | 90 Ų | 90 | 94.9 Ų | 94.9 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.5 | -76.3 | 167.4 | 0 | 0 | 0 | 112.1 | T266 A268 M273 E274 | T266-L270 HydrophobicContact CG2-CD1 4.21Å; T266-L270 WeakPolarHBondContact O-CB 3.44Å; T266-L270 WeakPolarHBondContact O-CG 3.4Å; T266-L270 PolarHBondContact O-N 3.43Å; A268-L270 PolarHBondContact O-N 3.43Å; L270-M273 HydrophobicContact CD2-CE 3.75Å; L270-M273 HydrophobicContact CG-CE 4.32Å; L270-M273 PolarHBondContact O-N 2.91Å; L270-E274 WeakPolarHBondContact O-CG 3.34Å; L270-E274 PolarHBondContact O-N 2.85Å |
| 271 | R | 92.3 | Very high | 92 | Very high | 124 Ų | 124 | 95.7 Ų | 95.7 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.8 | -79.9 | -177 | -83.5 | 173.8 | -6.4 | 112.1 | K267 A268 E269 M273 E274 E275 | K267-R271 WeakPolarHBondContact O-CG 3.33Å; K267-R271 PolarHBondContact O-N 3.12Å; K267-R271 PolarHBondContact O-NE 2.87Å; A268-R271 PolarHBondContact O-N 3.43Å; E269-R271 VanDerWaalsContact C-N 3.33Å; E269-R271 PolarHBondContact O-N 3.45Å; R271-M273 VanDerWaalsContact C-N 3.34Å; R271-M273 PolarHBondContact O-N 3.26Å; R271-E274 PolarHBondContact O-N 2.83Å; R271-E275 WeakPolarHBondContact O-CG 3.44Å; R271-E275 PolarHBondContact O-N 3.43Å |
| 272 | D | 92.8 | Very high | 92 | Very high | 71 Ų | 71 | 92.5 Ų | 92.5 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176 | 176.8 | 63 | 0 | 0 | 0 | 111.9 | A268 E269 E275 K276 | A268-D272 PolarHBondContact O-N 3.3Å; A268-D272 VanDerWaalsContact O-N 3.09Å; E269-D272 PolarHBondContact O-N 3.17Å; D272-E275 PolarHBondContact O-N 2.96Å; D272-K276 WeakPolarHBondContact O-CG 3.29Å; D272-K276 PolarHBondContact O-N 3.38Å; D272-K276 IonicContact OD1-NZ 2.94Å; D272-K276 VanDerWaalsContact OD2-CE 3.3Å; D272-K276 WeakPolarHBondContact OD2-CE 3.37Å; D272-K276 IonicContact OD2-NZ 3.9Å; D272-K276 PolarHBondContact OD2-NZ 2.9Å |
| 273 | M | 93.4 | Very high | 92.2 | Very high | 111 Ų | 111 | 91.4 Ų | 91.4 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 174.2 | -73.6 | -167.6 | -70.2 | 0 | 0 | 112.5 | E269 L270 R271 K276 K277 | E269-M273 WeakPolarHBondContact O-CG 3.39Å; E269-M273 PolarHBondContact O-N 3.15Å; L270-M273 HydrophobicContact CD2-CE 3.75Å; L270-M273 HydrophobicContact CG-CE 4.32Å; L270-M273 PolarHBondContact O-N 2.91Å; R271-M273 VanDerWaalsContact C-N 3.34Å; R271-M273 PolarHBondContact O-N 3.26Å; M273-K276 PolarHBondContact O-N 3.01Å; M273-K277 WeakPolarHBondContact O-CB 3.49Å; M273-K277 PolarHBondContact O-N 3.47Å |
| 274 | E | 90.3 | Very high | 92.2 | Very high | 104 Ų | 104 | 90 Ų | 90 | 49% | 0.486 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 174.5 | -77.7 | -175.1 | 157 | 0 | 0 | 111.7 | L270 R271 K277 H278 | L270-E274 WeakPolarHBondContact O-CG 3.34Å; L270-E274 PolarHBondContact O-N 2.85Å; R271-E274 PolarHBondContact O-N 2.83Å; E274-K277 WeakPolarHBondContact O-CB 3.49Å; E274-K277 PolarHBondContact O-N 2.86Å; E274-H278 PolarHBondContact O-N 3.31Å; E274-H278 PolarHBondContact O-ND1 2.95Å |
| 275 | E | 93.2 | Very high | 92.3 | Very high | 134 Ų | 134 | 90.9 Ų | 90.9 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60 | -46.7 | 176.3 | -74.3 | 177 | -169 | 0 | 0 | 111.5 | R271 D272 K277 H278 A279 | R271-E275 WeakPolarHBondContact O-CG 3.44Å; R271-E275 PolarHBondContact O-N 3.43Å; D272-E275 PolarHBondContact O-N 2.96Å; E275-K277 VanDerWaalsContact C-N 3.31Å; E275-K277 PolarHBondContact O-N 3.44Å; E275-H278 PolarHBondContact O-N 3.32Å; E275-A279 PolarHBondContact O-N 3.47Å |
| 276 | K | 93 | Very high | 92.4 | Very high | 120 Ų | 120 | 91.2 Ų | 91.2 | 52% | 0.522 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 174.8 | -75.6 | 170 | 179.4 | 162.4 | 0 | 112.7 | D272 M273 T280 | D272-K276 WeakPolarHBondContact O-CG 3.29Å; D272-K276 PolarHBondContact O-N 3.38Å; D272-K276 IonicContact OD1-NZ 2.94Å; D272-K276 VanDerWaalsContact OD2-CE 3.3Å; D272-K276 WeakPolarHBondContact OD2-CE 3.37Å; D272-K276 IonicContact OD2-NZ 3.9Å; D272-K276 PolarHBondContact OD2-NZ 2.9Å; M273-K276 PolarHBondContact O-N 3.01Å; K276-T280 WeakPolarHBondContact O-CB 3.48Å; K276-T280 PolarHBondContact O-N 3.01Å; K276-T280 PolarHBondContact O-OG1 3.23Å |
| 277 | K | 92.6 | Very high | 92.4 | Very high | 110 Ų | 110 | 92.1 Ų | 92.1 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 175.1 | -176.6 | -171.8 | 71.8 | -175.3 | 0 | 110.9 | M273 E274 E275 A279 T280 I281 | M273-K277 WeakPolarHBondContact O-CB 3.49Å; M273-K277 PolarHBondContact O-N 3.47Å; E274-K277 WeakPolarHBondContact O-CB 3.49Å; E274-K277 PolarHBondContact O-N 2.86Å; E275-K277 VanDerWaalsContact C-N 3.31Å; E275-K277 PolarHBondContact O-N 3.44Å; K277-A279 PolarHBondContact O-N 3.31Å; K277-T280 PolarHBondContact O-N 2.97Å; K277-I281 HydrophobicContact CG-CD1 4.07Å; K277-I281 WeakPolarHBondContact O-CG1 3.43Å; K277-I281 PolarHBondContact O-N 3.42Å |
| 278 | H | 91.6 | Very high | 92.3 | Very high | 117 Ų | 117 | 92.4 Ų | 92.4 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 178.9 | -73.7 | 84.5 | 0 | 0 | 0 | 111.9 | E274 E275 T280 I281 A282 | E274-H278 PolarHBondContact O-N 3.31Å; E274-H278 PolarHBondContact O-ND1 2.95Å; E275-H278 PolarHBondContact O-N 3.32Å; H278-T280 VanDerWaalsContact C-N 3.3Å; H278-T280 PolarHBondContact O-N 3.31Å; H278-I281 PolarHBondContact O-N 3.48Å; H278-A282 PolarHBondContact O-N 2.88Å |
| 279 | A | 94.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 97.3 Ų | 97.3 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E275 K277 R283 | E275-A279 PolarHBondContact O-N 3.47Å; K277-A279 PolarHBondContact O-N 3.31Å; A279-R283 PolarHBondContact O-N 3.33Å; A279-R283 VanDerWaalsContact O-N 3.08Å |
| 280 | T | 92.7 | Very high | 92.3 | Very high | 66 Ų | 66 | 95.1 Ų | 95.1 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 177.2 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | K276 K277 H278 R283 L284 | K276-T280 WeakPolarHBondContact O-CB 3.48Å; K276-T280 PolarHBondContact O-N 3.01Å; K276-T280 PolarHBondContact O-OG1 3.23Å; K277-T280 PolarHBondContact O-N 2.97Å; H278-T280 VanDerWaalsContact C-N 3.3Å; H278-T280 PolarHBondContact O-N 3.31Å; T280-R283 PolarHBondContact O-N 3.47Å; T280-L284 HydrophobicContact CG2-CD1 4.29Å; T280-L284 WeakPolarHBondContact O-CG 3.45Å; T280-L284 PolarHBondContact O-N 2.94Å |
| 281 | I | 89.6 | Confident | 92.2 | Very high | 76 Ų | 76 | 93.2 Ų | 93.2 | 39% | 0.39 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59 | -49.7 | 175.8 | -70.1 | 168.7 | 0 | 0 | 0 | 110 | K277 H278 R283 L284 E285 | K277-I281 HydrophobicContact CG-CD1 4.07Å; K277-I281 WeakPolarHBondContact O-CG1 3.43Å; K277-I281 PolarHBondContact O-N 3.42Å; H278-I281 PolarHBondContact O-N 3.48Å; I281-R283 VanDerWaalsContact C-N 3.28Å; I281-R283 PolarHBondContact O-N 2.82Å; I281-L284 PolarHBondContact O-N 2.76Å; I281-E285 HydrophobicContact CG2-CG 4.26Å; I281-E285 WeakPolarHBondContact O-CG 3.43Å; I281-E285 PolarHBondContact O-N 3.44Å |
| 282 | A | 92.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 90.5 Ų | 90.5 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H278 N286 | H278-A282 PolarHBondContact O-N 2.88Å; A282-N286 PolarHBondContact O-N 3.22Å; A282-N286 VanDerWaalsContact O-N 3.14Å; A282-N286 PolarHBondContact O-ND2 2.85Å |
| 283 | R | 95.1 | Very high | 91.9 | Very high | 113 Ų | 113 | 91.1 Ų | 91.1 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 173.9 | -174.8 | -175.4 | 60.2 | 74.4 | 9.3 | 111.5 | A279 T280 I281 N286 E287 | A279-R283 PolarHBondContact O-N 3.33Å; A279-R283 VanDerWaalsContact O-N 3.08Å; T280-R283 PolarHBondContact O-N 3.47Å; I281-R283 VanDerWaalsContact C-N 3.28Å; I281-R283 PolarHBondContact O-N 2.82Å; R283-N286 PolarHBondContact O-N 3.42Å; R283-E287 IonicContact CZ-OE1 3.73Å; R283-E287 IonicContact NH1-OE1 2.66Å; R283-E287 PolarHBondContact NH1-OE1 3.5Å; R283-E287 IonicContact NH1-OE2 3.73Å; R283-E287 PolarHBondContact NH1-OE2 3.43Å; R283-E287 WeakPolarHBondContact O-CG 3.38Å; R283-E287 PolarHBondContact O-N 3.21Å |
| 284 | L | 91.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 89.6 Ų | 89.6 | 16% | 0.162 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 179.7 | -69.5 | 175.1 | 0 | 0 | 0 | 112.2 | W54 T280 I281 N286 E287 I288 | W54-L284 HydrophobicContact CH2-CD1 3.68Å; W54-L284 HydrophobicContact CH2-CD2 3.78Å; W54-L284 HydrophobicContact CH2-CG 4.35Å; W54-L284 HydrophobicContact CZ2-CD1 3.61Å; W54-L284 HydrophobicContact CZ2-CD2 3.97Å; W54-L284 HydrophobicContact CZ2-CG 4.46Å; T280-L284 HydrophobicContact CG2-CD1 4.29Å; T280-L284 WeakPolarHBondContact O-CG 3.45Å; T280-L284 PolarHBondContact O-N 2.94Å; I281-L284 PolarHBondContact O-N 2.76Å; L284-N286 VanDerWaalsContact C-N 3.32Å; L284-N286 PolarHBondContact O-N 3.26Å; L284-E287 PolarHBondContact O-N 2.84Å; L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.32Å; L284-I288 PolarHBondContact O-N 2.99Å |
| 285 | E | 91.4 | Very high | 91.4 | Very high | 107 Ų | 107 | 89.7 Ų | 89.7 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 175 | -72.6 | 177.3 | 163.6 | 0 | 0 | 112 | I281 I288 R289 | I281-E285 HydrophobicContact CG2-CG 4.26Å; I281-E285 WeakPolarHBondContact O-CG 3.43Å; I281-E285 PolarHBondContact O-N 3.44Å; E285-I288 PolarHBondContact O-N 2.93Å; E285-R289 WeakPolarHBondContact O-CB 3.49Å; E285-R289 PolarHBondContact O-N 3.46Å |
| 286 | N | 94.2 | Very high | 91.2 | Very high | 88 Ų | 88 | 88.9 Ų | 88.9 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 174.7 | -75.4 | -26.5 | 0 | 0 | 0 | 111.9 | A282 R283 L284 R289 S290 | A282-N286 PolarHBondContact O-N 3.22Å; A282-N286 VanDerWaalsContact O-N 3.14Å; A282-N286 PolarHBondContact O-ND2 2.85Å; R283-N286 PolarHBondContact O-N 3.42Å; L284-N286 VanDerWaalsContact C-N 3.32Å; L284-N286 PolarHBondContact O-N 3.26Å; N286-R289 PolarHBondContact O-N 3.18Å; N286-R289 PolarHBondContact OD1-NH1 3.29Å; N286-S290 PolarHBondContact O-N 2.96Å |
| 287 | E | 92.9 | Very high | 90.9 | Very high | 91 Ų | 91 | 85.7 Ų | 85.7 | 43% | 0.425 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.2 | -75.3 | 171.7 | -174.1 | 0 | 0 | 111.7 | R283 L284 R289 S290 A291 | R283-E287 IonicContact CZ-OE1 3.73Å; R283-E287 IonicContact NH1-OE1 2.66Å; R283-E287 PolarHBondContact NH1-OE1 3.5Å; R283-E287 IonicContact NH1-OE2 3.73Å; R283-E287 PolarHBondContact NH1-OE2 3.43Å; R283-E287 WeakPolarHBondContact O-CG 3.38Å; R283-E287 PolarHBondContact O-N 3.21Å; L284-E287 PolarHBondContact O-N 2.84Å; E287-R289 VanDerWaalsContact C-N 3.34Å; E287-R289 PolarHBondContact O-N 3.02Å; E287-S290 PolarHBondContact O-N 2.87Å; E287-A291 WeakPolarHBondContact O-CB 3.38Å; E287-A291 PolarHBondContact O-N 3.28Å |
| 288 | I | 89.7 | Confident | 90.5 | Very high | 110 Ų | 110 | 85 Ų | 85 | 56% | 0.564 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 175.9 | -71 | 167.2 | 0 | 0 | 0 | 110.8 | L284 E285 S290 A291 S292 | L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.32Å; L284-I288 PolarHBondContact O-N 2.99Å; E285-I288 PolarHBondContact O-N 2.93Å; I288-S290 VanDerWaalsContact C-N 3.34Å; I288-S290 PolarHBondContact O-N 3.33Å; I288-A291 PolarHBondContact O-N 2.97Å; I288-S292 WeakPolarHBondContact O-CB 3.44Å; I288-S292 PolarHBondContact O-N 3.07Å; I288-S292 PolarHBondContact O-OG 2.87Å |
| 289 | R | 92.1 | Very high | 90 | Very high | 151 Ų | 151 | 82.5 Ų | 82.5 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 178.1 | -165.1 | -174 | -56 | 127.9 | 8.8 | 111.4 | E285 N286 E287 S292 S293 | E285-R289 WeakPolarHBondContact O-CB 3.49Å; E285-R289 PolarHBondContact O-N 3.46Å; N286-R289 PolarHBondContact O-N 3.18Å; N286-R289 PolarHBondContact OD1-NH1 3.29Å; E287-R289 VanDerWaalsContact C-N 3.34Å; E287-R289 PolarHBondContact O-N 3.02Å; R289-S292 PolarHBondContact O-N 3Å; R289-S293 PolarHBondContact O-N 3.5Å; R289-S293 VanDerWaalsContact O-N 3.11Å |
| 290 | S | 92.6 | Very high | 89.8 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 175.4 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | N286 E287 I288 S292 S293 T294 | N286-S290 PolarHBondContact O-N 2.96Å; E287-S290 PolarHBondContact O-N 2.87Å; I288-S290 VanDerWaalsContact C-N 3.34Å; I288-S290 PolarHBondContact O-N 3.33Å; S290-S292 VanDerWaalsContact C-N 3.32Å; S290-S292 PolarHBondContact O-N 3.23Å; S290-S293 WeakPolarHBondContact O-CB 3.49Å; S290-S293 PolarHBondContact O-N 3.12Å; S290-S293 VanDerWaalsContact O-N 3.17Å; S290-T294 PolarHBondContact O-N 3.42Å; S290-T294 PolarHBondContact O-OG1 3.48Å |
| 291 | A | 88 | Confident | 89.5 | Confident | 49 Ų | 49 | 84.4 Ų | 84.4 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | E287 I288 S293 T294 I295 | E287-A291 WeakPolarHBondContact O-CB 3.38Å; E287-A291 PolarHBondContact O-N 3.28Å; I288-A291 PolarHBondContact O-N 2.97Å; A291-S293 VanDerWaalsContact C-N 3.31Å; A291-S293 PolarHBondContact O-N 3.08Å; A291-T294 PolarHBondContact O-N 3.36Å; A291-I295 WeakPolarHBondContact O-CG1 3.43Å; A291-I295 PolarHBondContact O-N 2.85Å |
| 292 | S | 87.6 | Confident | 89.1 | Confident | 67 Ų | 67 | 84.3 Ų | 84.3 | 47% | 0.469 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 176.2 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | I288 R289 S290 I295 H296 | I288-S292 WeakPolarHBondContact O-CB 3.44Å; I288-S292 PolarHBondContact O-N 3.07Å; I288-S292 PolarHBondContact O-OG 2.87Å; R289-S292 PolarHBondContact O-N 3Å; S290-S292 VanDerWaalsContact C-N 3.32Å; S290-S292 PolarHBondContact O-N 3.23Å; S292-I295 PolarHBondContact O-N 2.85Å; S292-H296 WeakPolarHBondContact O-CB 3.36Å; S292-H296 PolarHBondContact O-N 3.42Å |
| 293 | S | 92 | Very high | 88.8 | Confident | 85 Ų | 85 | 88.1 Ų | 88.1 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 174.4 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | R289 S290 A291 H296 A297 | R289-S293 PolarHBondContact O-N 3.5Å; R289-S293 VanDerWaalsContact O-N 3.11Å; S290-S293 WeakPolarHBondContact O-CB 3.49Å; S290-S293 PolarHBondContact O-N 3.12Å; S290-S293 VanDerWaalsContact O-N 3.17Å; A291-S293 VanDerWaalsContact C-N 3.31Å; A291-S293 PolarHBondContact O-N 3.08Å; S293-H296 PolarHBondContact O-N 2.91Å; S293-A297 PolarHBondContact O-N 3.29Å |
| 294 | T | 89.9 | Confident | 88.4 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 112 | S290 A291 H296 A297 L298 | S290-T294 PolarHBondContact O-N 3.42Å; S290-T294 PolarHBondContact O-OG1 3.48Å; A291-T294 PolarHBondContact O-N 3.36Å; T294-H296 VanDerWaalsContact C-N 3.29Å; T294-H296 PolarHBondContact O-N 3.32Å; T294-A297 PolarHBondContact O-N 3.11Å; T294-L298 HydrophobicContact CG2-CD1 4.34Å; T294-L298 WeakPolarHBondContact O-CG 3.35Å; T294-L298 PolarHBondContact O-N 2.86Å |
| 295 | I | 84.4 | Confident | 88.2 | Confident | 105 Ų | 105 | 94.5 Ų | 94.5 | 54% | 0.538 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.9 | -70.3 | 167.6 | 0 | 0 | 0 | 110.3 | A291 S292 A297 L298 C299 | A291-I295 WeakPolarHBondContact O-CG1 3.43Å; A291-I295 PolarHBondContact O-N 2.85Å; S292-I295 PolarHBondContact O-N 2.85Å; I295-A297 PolarHBondContact O-N 3.26Å; I295-L298 PolarHBondContact O-N 3.2Å; I295-C299 PolarHBondContact O-N 2.86Å; I295-C299 PolarHBondContact O-SG 3.19Å; I295-C299 VanDerWaalsContact O-SG 3.36Å |
| 296 | H | 87.3 | Confident | 87.7 | Confident | 118 Ų | 118 | 92.8 Ų | 92.8 | 55% | 0.546 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177.6 | -171.5 | 67.9 | 0 | 0 | 0 | 112.1 | S292 S293 T294 L298 C299 E300 | S292-H296 WeakPolarHBondContact O-CB 3.36Å; S292-H296 PolarHBondContact O-N 3.42Å; S293-H296 PolarHBondContact O-N 2.91Å; T294-H296 VanDerWaalsContact C-N 3.29Å; T294-H296 PolarHBondContact O-N 3.32Å; H296-L298 VanDerWaalsContact C-N 3.35Å; H296-L298 PolarHBondContact O-N 3.4Å; H296-C299 WeakPolarHBondContact O-CB 3.3Å; H296-C299 PolarHBondContact O-N 2.94Å; H296-E300 PolarHBondContact O-N 3.48Å; H296-E300 VanDerWaalsContact O-N 3.1Å |
| 297 | A | 88.1 | Confident | 87.3 | Confident | 53 Ų | 53 | 91.2 Ų | 91.2 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S293 T294 I295 E300 L301 | S293-A297 PolarHBondContact O-N 3.29Å; T294-A297 PolarHBondContact O-N 3.11Å; I295-A297 PolarHBondContact O-N 3.26Å; A297-E300 PolarHBondContact O-N 3.29Å; A297-L301 WeakPolarHBondContact O-CG 3.43Å; A297-L301 PolarHBondContact O-N 2.9Å |
| 298 | L | 83.3 | Confident | 87 | Confident | 96 Ų | 96 | 90.8 Ų | 90.8 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.2 | -72 | 171.9 | 0 | 0 | 0 | 112 | T294 I295 H296 E300 L301 V302 | T294-L298 HydrophobicContact CG2-CD1 4.34Å; T294-L298 WeakPolarHBondContact O-CG 3.35Å; T294-L298 PolarHBondContact O-N 2.86Å; I295-L298 PolarHBondContact O-N 3.2Å; H296-L298 VanDerWaalsContact C-N 3.35Å; H296-L298 PolarHBondContact O-N 3.4Å; L298-E300 VanDerWaalsContact C-N 3.3Å; L298-E300 PolarHBondContact O-N 3.05Å; L298-L301 HydrophobicContact CD2-CD1 4.44Å; L298-L301 PolarHBondContact O-N 2.98Å; L298-V302 WeakPolarHBondContact O-CG2 3.43Å; L298-V302 PolarHBondContact O-N 3.44Å |
| 299 | C | 82.3 | Confident | 86.5 | Confident | 63 Ų | 63 | 89 Ų | 89 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 174.7 | -74.2 | 0 | 0 | 0 | 0 | 112 | I295 H296 V302 K303 | I295-C299 PolarHBondContact O-N 2.86Å; I295-C299 PolarHBondContact O-SG 3.19Å; I295-C299 VanDerWaalsContact O-SG 3.36Å; H296-C299 WeakPolarHBondContact O-CB 3.3Å; H296-C299 PolarHBondContact O-N 2.94Å; C299-V302 PolarHBondContact O-N 3.01Å; C299-K303 WeakPolarHBondContact O-CG 3.46Å; C299-K303 PolarHBondContact O-N 3.32Å |
| 300 | E | 88.6 | Confident | 86.1 | Confident | 68 Ų | 68 | 87.8 Ų | 87.8 | 32% | 0.318 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 176.1 | -67.6 | -53.4 | 125.4 | 0 | 0 | 112.3 | H296 A297 L298 V302 K303 Q304 | H296-E300 PolarHBondContact O-N 3.48Å; H296-E300 VanDerWaalsContact O-N 3.1Å; A297-E300 PolarHBondContact O-N 3.29Å; L298-E300 VanDerWaalsContact C-N 3.3Å; L298-E300 PolarHBondContact O-N 3.05Å; E300-V302 PolarHBondContact O-N 2.98Å; E300-K303 PolarHBondContact O-N 3.44Å; E300-K303 IonicContact OE1-NZ 2.6Å; E300-K303 PolarHBondContact OE1-NZ 3.19Å; E300-K303 IonicContact OE2-NZ 2.83Å; E300-Q304 WeakPolarHBondContact O-CG 3.29Å; E300-Q304 PolarHBondContact O-N 3.42Å |
| 301 | L | 87.7 | Confident | 85.6 | Confident | 102 Ų | 102 | 87.5 Ų | 87.5 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 173.3 | -72.9 | 171.4 | 0 | 0 | 0 | 112.2 | A297 L298 Q304 R305 | A297-L301 WeakPolarHBondContact O-CG 3.43Å; A297-L301 PolarHBondContact O-N 2.9Å; L298-L301 HydrophobicContact CD2-CD1 4.44Å; L298-L301 PolarHBondContact O-N 2.98Å; L301-Q304 PolarHBondContact O-N 2.9Å; L301-R305 WeakPolarHBondContact O-CB 3.4Å; L301-R305 PolarHBondContact O-N 3.33Å |
| 302 | V | 80.8 | Confident | 85.2 | Confident | 74 Ų | 74 | 89.6 Ų | 89.6 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 111 | L298 C299 E300 Q304 R305 N306 | L298-V302 WeakPolarHBondContact O-CG2 3.43Å; L298-V302 PolarHBondContact O-N 3.44Å; C299-V302 PolarHBondContact O-N 3.01Å; E300-V302 PolarHBondContact O-N 2.98Å; V302-Q304 VanDerWaalsContact C-N 3.35Å; V302-Q304 PolarHBondContact O-N 3.42Å; V302-R305 PolarHBondContact O-N 2.89Å; V302-N306 WeakPolarHBondContact O-CB 3.47Å; V302-N306 VanDerWaalsContact O-CG 3.3Å; V302-N306 PolarHBondContact O-N 3.46Å |
| 303 | K | 86 | Confident | 84.9 | Confident | 124 Ų | 124 | 89.7 Ų | 89.7 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 174.2 | -73.6 | 174.6 | -174.9 | 169.9 | 0 | 111.7 | C299 E300 N306 A307 | C299-K303 WeakPolarHBondContact O-CG 3.46Å; C299-K303 PolarHBondContact O-N 3.32Å; E300-K303 PolarHBondContact O-N 3.44Å; E300-K303 IonicContact OE1-NZ 2.6Å; E300-K303 PolarHBondContact OE1-NZ 3.19Å; E300-K303 IonicContact OE2-NZ 2.83Å; K303-N306 PolarHBondContact O-N 2.95Å; K303-A307 PolarHBondContact O-N 2.83Å |
| 304 | Q | 85.8 | Confident | 84.4 | Confident | 121 Ų | 121 | 91.3 Ų | 91.3 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 177.5 | -72.3 | 175.7 | 2.4 | 0 | 0 | 112.3 | E300 L301 V302 A307 T308 | E300-Q304 WeakPolarHBondContact O-CG 3.29Å; E300-Q304 PolarHBondContact O-N 3.42Å; L301-Q304 PolarHBondContact O-N 2.9Å; V302-Q304 VanDerWaalsContact C-N 3.35Å; V302-Q304 PolarHBondContact O-N 3.42Å; Q304-A307 PolarHBondContact O-N 2.92Å; Q304-T308 PolarHBondContact O-N 3.39Å; Q304-T308 PolarHBondContact O-OG1 2.68Å; Q304-T308 VanDerWaalsContact O-OG1 3.1Å |
| 305 | R | 86.6 | Confident | 84 | Confident | 157 Ų | 157 | 90.1 Ų | 90.1 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.1 | -48.4 | 174.9 | 179.4 | -169.6 | 170.9 | -141 | 0.4 | 111.1 | L301 V302 A307 T308 I309 | L301-R305 WeakPolarHBondContact O-CB 3.4Å; L301-R305 PolarHBondContact O-N 3.33Å; V302-R305 PolarHBondContact O-N 2.89Å; R305-A307 VanDerWaalsContact C-N 3.35Å; R305-A307 PolarHBondContact O-N 3.19Å; R305-T308 PolarHBondContact O-N 3.13Å; R305-T308 VanDerWaalsContact O-N 3.15Å; R305-I309 HydrophobicContact CG-CD1 3.96Å; R305-I309 WeakPolarHBondContact O-CG1 3.43Å; R305-I309 PolarHBondContact O-N 3.07Å |
| 306 | N | 82.8 | Confident | 83.9 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | -179.5 | -71.9 | -6.6 | 0 | 0 | 0 | 111.4 | V302 K303 T308 I309 E310 | V302-N306 WeakPolarHBondContact O-CB 3.47Å; V302-N306 VanDerWaalsContact O-CG 3.3Å; V302-N306 PolarHBondContact O-N 3.46Å; K303-N306 PolarHBondContact O-N 2.95Å; N306-T308 VanDerWaalsContact C-N 3.28Å; N306-T308 PolarHBondContact O-N 3.41Å; N306-I309 PolarHBondContact O-N 2.96Å; N306-E310 WeakPolarHBondContact O-CG 3.44Å; N306-E310 PolarHBondContact O-N 3.46Å |
| 307 | A | 84.2 | Confident | 83.6 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K303 Q304 R305 S311 | K303-A307 PolarHBondContact O-N 2.83Å; Q304-A307 PolarHBondContact O-N 2.92Å; R305-A307 VanDerWaalsContact C-N 3.35Å; R305-A307 PolarHBondContact O-N 3.19Å; A307-S311 WeakPolarHBondContact O-CB 3.46Å; A307-S311 PolarHBondContact O-N 2.88Å |
| 308 | T | 86.9 | Confident | 83.4 | Confident | 81 Ų | 81 | 92 Ų | 92 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | Q304 R305 N306 S311 N312 | Q304-T308 PolarHBondContact O-N 3.39Å; Q304-T308 PolarHBondContact O-OG1 2.68Å; Q304-T308 VanDerWaalsContact O-OG1 3.1Å; R305-T308 PolarHBondContact O-N 3.13Å; R305-T308 VanDerWaalsContact O-N 3.15Å; N306-T308 VanDerWaalsContact C-N 3.28Å; N306-T308 PolarHBondContact O-N 3.41Å; T308-S311 PolarHBondContact O-N 3.26Å; T308-N312 WeakPolarHBondContact O-CB 3.11Å; T308-N312 VanDerWaalsContact O-CG 3.26Å; T308-N312 PolarHBondContact O-N 3.15Å |
| 309 | I | 80.4 | Confident | 83.2 | Confident | 73 Ų | 73 | 92.3 Ų | 92.3 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 176.1 | -68.9 | 170 | 0 | 0 | 0 | 110.5 | R305 N306 S311 N312 V313 | R305-I309 HydrophobicContact CG-CD1 3.96Å; R305-I309 WeakPolarHBondContact O-CG1 3.43Å; R305-I309 PolarHBondContact O-N 3.07Å; N306-I309 PolarHBondContact O-N 2.96Å; I309-S311 VanDerWaalsContact C-N 3.33Å; I309-S311 PolarHBondContact O-N 2.91Å; I309-N312 PolarHBondContact O-N 3.22Å; I309-V313 HydrophobicContact CG2-CG2 4.23Å; I309-V313 WeakPolarHBondContact O-CB 3.5Å; I309-V313 WeakPolarHBondContact O-CG2 3.49Å; I309-V313 PolarHBondContact O-N 3.41Å |
| 310 | E | 81.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58 | -45.8 | 177.9 | -76.4 | 176.4 | -173.2 | 0 | 0 | 111.6 | N306 N312 V313 Q314 | N306-E310 WeakPolarHBondContact O-CG 3.44Å; N306-E310 PolarHBondContact O-N 3.46Å; E310-N312 PolarHBondContact O-N 3.49Å; E310-V313 PolarHBondContact O-N 3.07Å; E310-Q314 WeakPolarHBondContact O-CB 3.38Å; E310-Q314 WeakPolarHBondContact O-CG 3.49Å; E310-Q314 PolarHBondContact O-N 3.29Å |
| 311 | S | 83 | Confident | 82.7 | Confident | 70 Ų | 70 | 92.4 Ų | 92.4 | 49% | 0.49 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 112 | A307 T308 I309 V313 Q314 S315 | A307-S311 WeakPolarHBondContact O-CB 3.46Å; A307-S311 PolarHBondContact O-N 2.88Å; T308-S311 PolarHBondContact O-N 3.26Å; I309-S311 VanDerWaalsContact C-N 3.33Å; I309-S311 PolarHBondContact O-N 2.91Å; S311-V313 PolarHBondContact O-N 3.31Å; S311-Q314 PolarHBondContact O-N 3.4Å; S311-S315 PolarHBondContact O-N 3.43Å |
| 312 | N | 80.5 | Confident | 82.5 | Confident | 93 Ų | 93 | 92.1 Ų | 92.1 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 179.4 | -70.8 | -12.4 | 0 | 0 | 0 | 112.2 | T308 I309 E310 S315 L316 | T308-N312 WeakPolarHBondContact O-CB 3.11Å; T308-N312 VanDerWaalsContact O-CG 3.26Å; T308-N312 PolarHBondContact O-N 3.15Å; I309-N312 PolarHBondContact O-N 3.22Å; E310-N312 PolarHBondContact O-N 3.49Å; N312-S315 PolarHBondContact O-N 3.25Å; N312-L316 WeakPolarHBondContact O-CG 3.45Å; N312-L316 PolarHBondContact O-N 3.37Å |
| 313 | V | 80.7 | Confident | 82.5 | Confident | 69 Ų | 69 | 92.9 Ų | 92.9 | 42% | 0.418 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 176.4 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | I309 E310 S311 S315 L316 I317 | I309-V313 HydrophobicContact CG2-CG2 4.23Å; I309-V313 WeakPolarHBondContact O-CB 3.5Å; I309-V313 WeakPolarHBondContact O-CG2 3.49Å; I309-V313 PolarHBondContact O-N 3.41Å; E310-V313 PolarHBondContact O-N 3.07Å; S311-V313 PolarHBondContact O-N 3.31Å; V313-S315 VanDerWaalsContact C-N 3.34Å; V313-S315 PolarHBondContact O-N 3.08Å; V313-L316 PolarHBondContact O-N 3.47Å; V313-I317 HydrophobicContact CG1-CD1 3.8Å; V313-I317 HydrophobicContact CG1-CG1 4.37Å; V313-I317 VanDerWaalsContact O-CG1 3.29Å; V313-I317 WeakPolarHBondContact O-CG1 3.35Å; V313-I317 PolarHBondContact O-N 3.2Å |
| 314 | Q | 81 | Confident | 82.1 | Confident | 120 Ų | 120 | 93 Ų | 93 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 175.3 | -75.9 | 179.9 | 3.7 | 0 | 0 | 111.8 | E310 S311 I317 Q318 | E310-Q314 WeakPolarHBondContact O-CB 3.38Å; E310-Q314 WeakPolarHBondContact O-CG 3.49Å; E310-Q314 PolarHBondContact O-N 3.29Å; S311-Q314 PolarHBondContact O-N 3.4Å; Q314-I317 PolarHBondContact O-N 2.9Å; Q314-Q318 WeakPolarHBondContact O-CG 3.35Å; Q314-Q318 PolarHBondContact O-N 2.71Å |
| 315 | S | 81.6 | Confident | 81.8 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 37% | 0.371 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 175.1 | -165.1 | 0 | 0 | 0 | 0 | 111.5 | S311 N312 V313 I317 Q318 E319 | S311-S315 PolarHBondContact O-N 3.43Å; N312-S315 PolarHBondContact O-N 3.25Å; V313-S315 VanDerWaalsContact C-N 3.34Å; V313-S315 PolarHBondContact O-N 3.08Å; S315-I317 PolarHBondContact O-N 3.05Å; S315-Q318 WeakPolarHBondContact O-CB 3.45Å; S315-Q318 PolarHBondContact O-N 3.13Å; S315-E319 PolarHBondContact O-N 3.4Å |
| 316 | L | 82.3 | Confident | 81.4 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 177 | -75.1 | 168.9 | 0 | 0 | 0 | 112.6 | N312 V313 Q318 E319 V320 | N312-L316 WeakPolarHBondContact O-CG 3.45Å; N312-L316 PolarHBondContact O-N 3.37Å; V313-L316 PolarHBondContact O-N 3.47Å; L316-Q318 VanDerWaalsContact C-N 3.31Å; L316-Q318 PolarHBondContact O-N 2.87Å; L316-E319 PolarHBondContact O-N 2.86Å; L316-V320 WeakPolarHBondContact O-CB 2.99Å; L316-V320 VanDerWaalsContact O-CG2 3.32Å; L316-V320 WeakPolarHBondContact O-CG2 3.12Å; L316-V320 PolarHBondContact O-N 3.39Å |
| 317 | I | 81.5 | Confident | 81 | Confident | 90 Ų | 90 | 91 Ų | 91 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.3 | -72 | 167.6 | 0 | 0 | 0 | 110.5 | V313 Q314 S315 V320 N321 | V313-I317 HydrophobicContact CG1-CD1 3.8Å; V313-I317 HydrophobicContact CG1-CG1 4.37Å; V313-I317 VanDerWaalsContact O-CG1 3.29Å; V313-I317 WeakPolarHBondContact O-CG1 3.35Å; V313-I317 PolarHBondContact O-N 3.2Å; Q314-I317 PolarHBondContact O-N 2.9Å; S315-I317 PolarHBondContact O-N 3.05Å; I317-V320 PolarHBondContact O-N 3.4Å; I317-N321 WeakPolarHBondContact O-CB 3.47Å; I317-N321 PolarHBondContact O-N 3.25Å; I317-N321 PolarHBondContact O-ND2 2.77Å |
| 318 | Q | 82.5 | Confident | 80.4 | Confident | 124 Ų | 124 | 93.8 Ų | 93.8 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.1 | -47.1 | 175.3 | -72.6 | 175.1 | 1.7 | 0 | 0 | 111.1 | Q314 S315 L316 V320 N321 I322 | Q314-Q318 WeakPolarHBondContact O-CG 3.35Å; Q314-Q318 PolarHBondContact O-N 2.71Å; S315-Q318 WeakPolarHBondContact O-CB 3.45Å; S315-Q318 PolarHBondContact O-N 3.13Å; L316-Q318 VanDerWaalsContact C-N 3.31Å; L316-Q318 PolarHBondContact O-N 2.87Å; Q318-V320 PolarHBondContact O-N 2.99Å; Q318-N321 PolarHBondContact O-N 2.89Å; Q318-I322 WeakPolarHBondContact O-CG1 3.46Å; Q318-I322 PolarHBondContact O-N 3.2Å |
| 319 | E | 79.3 | Confident | 79.5 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 175.6 | -72.5 | 174.6 | -167.7 | 0 | 0 | 112.1 | S315 L316 N321 I322 I323 | S315-E319 PolarHBondContact O-N 3.4Å; L316-E319 PolarHBondContact O-N 2.86Å; E319-N321 VanDerWaalsContact C-N 3.33Å; E319-N321 PolarHBondContact O-N 3.48Å; E319-I322 PolarHBondContact O-N 2.91Å; E319-I323 WeakPolarHBondContact O-CG1 3.34Å; E319-I323 PolarHBondContact O-N 3.41Å |
| 320 | V | 80.6 | Confident | 78.6 | Confident | 81 Ų | 81 | 98.8 Ų | 98.8 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 177.5 | 169 | 0 | 0 | 0 | 0 | 111.7 | L316 I317 Q318 I323 R324 | L316-V320 WeakPolarHBondContact O-CB 2.99Å; L316-V320 VanDerWaalsContact O-CG2 3.32Å; L316-V320 WeakPolarHBondContact O-CG2 3.12Å; L316-V320 PolarHBondContact O-N 3.39Å; I317-V320 PolarHBondContact O-N 3.4Å; Q318-V320 PolarHBondContact O-N 2.99Å; V320-I323 PolarHBondContact O-N 3.4Å; V320-R324 WeakPolarHBondContact O-CB 3.44Å; V320-R324 PolarHBondContact O-N 2.9Å |
| 321 | N | 80.8 | Confident | 77.3 | Confident | 52 Ų | 52 | 98 Ų | 98 | 28% | 0.278 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 176.3 | -73.3 | -26.4 | 0 | 0 | 0 | 111.2 | I317 Q318 E319 I323 R324 D325 | I317-N321 WeakPolarHBondContact O-CB 3.47Å; I317-N321 PolarHBondContact O-N 3.25Å; I317-N321 PolarHBondContact O-ND2 2.77Å; Q318-N321 PolarHBondContact O-N 2.89Å; E319-N321 VanDerWaalsContact C-N 3.33Å; E319-N321 PolarHBondContact O-N 3.48Å; N321-I323 PolarHBondContact O-N 2.96Å; N321-R324 WeakPolarHBondContact O-CB 3.25Å; N321-R324 PolarHBondContact O-N 3.3Å; N321-R324 PolarHBondContact OD1-NH1 2.91Å; N321-R324 PolarHBondContact OD1-NH2 3.4Å; N321-R324 VanDerWaalsContact OD1-NH2 3.09Å; N321-D325 VanDerWaalsContact O-CG 3.24Å; N321-D325 PolarHBondContact O-N 3.38Å |
| 322 | I | 83.4 | Confident | 75.7 | Confident | 95 Ų | 95 | 100.4 Ų | 100.4 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 174.2 | -68.6 | 164.5 | 0 | 0 | 0 | 110.2 | Q318 E319 R324 D325 E326 | Q318-I322 WeakPolarHBondContact O-CG1 3.46Å; Q318-I322 PolarHBondContact O-N 3.2Å; E319-I322 PolarHBondContact O-N 2.91Å; I322-R324 VanDerWaalsContact C-N 3.31Å; I322-R324 PolarHBondContact O-N 3.27Å; I322-D325 PolarHBondContact O-N 2.91Å; I322-E326 HydrophobicContact CG2-CG 4.48Å; I322-E326 WeakPolarHBondContact O-CB 3.42Å; I322-E326 VanDerWaalsContact O-CG 3.32Å; I322-E326 WeakPolarHBondContact O-CG 3.25Å; I322-E326 PolarHBondContact O-N 3.16Å |
| 323 | I | 80.7 | Confident | 73.9 | Confident | 91 Ų | 91 | 101 Ų | 101 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.5 | -66.2 | 166.3 | 0 | 0 | 0 | 111.2 | E319 V320 N321 E326 L327 | E319-I323 WeakPolarHBondContact O-CG1 3.34Å; E319-I323 PolarHBondContact O-N 3.41Å; V320-I323 PolarHBondContact O-N 3.4Å; N321-I323 PolarHBondContact O-N 2.96Å; I323-E326 PolarHBondContact O-N 2.87Å; I323-L327 HydrophobicContact CG2-CD1 4.05Å; I323-L327 WeakPolarHBondContact O-CB 3.01Å; I323-L327 WeakPolarHBondContact O-CG 3.37Å; I323-L327 PolarHBondContact O-N 3.33Å |
| 324 | R | 77.7 | Confident | 72.1 | Confident | 125 Ų | 125 | 103.5 Ų | 103.5 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 177.5 | -174.3 | -165.5 | -60.1 | 139 | 10 | 111.2 | V320 N321 I322 L327 Q328 | V320-R324 WeakPolarHBondContact O-CB 3.44Å; V320-R324 PolarHBondContact O-N 2.9Å; N321-R324 WeakPolarHBondContact O-CB 3.25Å; N321-R324 PolarHBondContact O-N 3.3Å; N321-R324 PolarHBondContact OD1-NH1 2.91Å; N321-R324 PolarHBondContact OD1-NH2 3.4Å; N321-R324 VanDerWaalsContact OD1-NH2 3.09Å; I322-R324 VanDerWaalsContact C-N 3.31Å; I322-R324 PolarHBondContact O-N 3.27Å; R324-L327 PolarHBondContact O-N 3.45Å; R324-Q328 PolarHBondContact O-N 3.29Å |
| 325 | D | 80 | Confident | 70.4 | Confident | 90 Ų | 90 | 104.9 Ų | 104.9 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | -179.4 | -67.1 | -11.7 | 0 | 0 | 0 | 110.4 | N321 I322 L327 Q328 E329 | N321-D325 VanDerWaalsContact O-CG 3.24Å; N321-D325 PolarHBondContact O-N 3.38Å; I322-D325 PolarHBondContact O-N 2.91Å; D325-L327 VanDerWaalsContact C-N 3.34Å; D325-L327 PolarHBondContact O-N 3.45Å; D325-Q328 PolarHBondContact O-N 2.91Å; D325-E329 PolarHBondContact O-N 3.02Å |
| 326 | E | 78.5 | Confident | 68.4 | Low | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.8 | -42.3 | 172.7 | -73.5 | 176.8 | 175.4 | 0 | 0 | 112.2 | I322 I323 E329 L330 | I322-E326 HydrophobicContact CG2-CG 4.48Å; I322-E326 WeakPolarHBondContact O-CB 3.42Å; I322-E326 VanDerWaalsContact O-CG 3.32Å; I322-E326 WeakPolarHBondContact O-CG 3.25Å; I322-E326 PolarHBondContact O-N 3.16Å; I323-E326 PolarHBondContact O-N 2.87Å; E326-E329 PolarHBondContact O-N 2.85Å; E326-L330 WeakPolarHBondContact O-CG 3.35Å; E326-L330 PolarHBondContact O-N 3.4Å |
| 327 | L | 74.5 | Confident | 66.2 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.9 | -35.4 | 175.4 | -74.2 | 170.8 | 0 | 0 | 0 | 112.9 | I323 R324 D325 L330 T331 | I323-L327 HydrophobicContact CG2-CD1 4.05Å; I323-L327 WeakPolarHBondContact O-CB 3.01Å; I323-L327 WeakPolarHBondContact O-CG 3.37Å; I323-L327 PolarHBondContact O-N 3.33Å; R324-L327 PolarHBondContact O-N 3.45Å; D325-L327 VanDerWaalsContact C-N 3.34Å; D325-L327 PolarHBondContact O-N 3.45Å; L327-L330 HydrophobicContact CD2-CD1 4.47Å; L327-L330 PolarHBondContact O-N 2.96Å; L327-T331 PolarHBondContact O-N 3.15Å; L327-T331 PolarHBondContact O-OG1 3.04Å |
| 328 | Q | 71.1 | Confident | 64.1 | Low | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 174.8 | -81.7 | -172 | -9.9 | 0 | 0 | 111.8 | R324 D325 L330 T331 K332 | R324-Q328 PolarHBondContact O-N 3.29Å; D325-Q328 PolarHBondContact O-N 2.91Å; Q328-L330 VanDerWaalsContact C-N 3.27Å; Q328-L330 PolarHBondContact O-N 2.92Å; Q328-T331 WeakPolarHBondContact CA-OG1 3.46Å; Q328-T331 CarbonylContact O-C 3.54Å; Q328-T331 PolarHBondContact O-N 3.29Å; Q328-T331 VanDerWaalsContact O-N 3.15Å; Q328-T331 PolarHBondContact O-OG1 3.06Å; Q328-K332 PolarHBondContact O-N 3.43Å |
| 329 | E | 67.5 | Low | 61.6 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.2 | -34.6 | 173.6 | -71.2 | -61.5 | 155 | 0 | 0 | 112.2 | D325 E326 T331 K332 | D325-E329 PolarHBondContact O-N 3.02Å; E326-E329 PolarHBondContact O-N 2.85Å; E329-T331 VanDerWaalsContact C-N 3.34Å; E329-K332 WeakPolarHBondContact OE1-CE 3.35Å; E329-K332 IonicContact OE1-NZ 3.89Å; E329-K332 PolarHBondContact OE1-NZ 2.83Å; E329-K332 WeakPolarHBondContact OE2-CD 3.14Å; E329-K332 WeakPolarHBondContact OE2-CE 3.48Å; E329-K332 IonicContact OE2-NZ 2.84Å; E329-K332 PolarHBondContact OE2-NZ 3.31Å |
| 330 | L | 62.7 | Low | 60.8 | Low | 141 Ų | 141 | 118.4 Ų | 118.4 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.1 | -23.2 | 175.3 | -72.2 | 168.1 | 0 | 0 | 0 | 113.9 | E326 L327 Q328 | E326-L330 WeakPolarHBondContact O-CG 3.35Å; E326-L330 PolarHBondContact O-N 3.4Å; L327-L330 HydrophobicContact CD2-CD1 4.47Å; L327-L330 PolarHBondContact O-N 2.96Å; Q328-L330 VanDerWaalsContact C-N 3.27Å; Q328-L330 PolarHBondContact O-N 2.92Å |
| 331 | T | 54.3 | Low | 59.7 | Low | 108 Ų | 108 | 120.3 Ų | 120.3 | 66% | 0.663 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -103 | -1.8 | -178.8 | 44.7 | 0 | 0 | 0 | 0 | 113.7 | L327 Q328 E329 P333 | L327-T331 PolarHBondContact O-N 3.15Å; L327-T331 PolarHBondContact O-OG1 3.04Å; Q328-T331 WeakPolarHBondContact CA-OG1 3.46Å; Q328-T331 CarbonylContact O-C 3.54Å; Q328-T331 PolarHBondContact O-N 3.29Å; Q328-T331 VanDerWaalsContact O-N 3.15Å; Q328-T331 PolarHBondContact O-OG1 3.06Å; E329-T331 VanDerWaalsContact C-N 3.34Å; T331-P333 WeakPolarHBondContact O-CD 3.32Å |
| 332 | K | 49.4 | Very low | 58.5 | Low | 121 Ų | 121 | 124.1 Ų | 124.1 | 53% | 0.526 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -56.3 | 123.7 | 167 | -83.1 | -179.2 | -172.1 | 167.3 | 0 | 108.8 | Q328 E329 S334 | Q328-K332 PolarHBondContact O-N 3.43Å; E329-K332 WeakPolarHBondContact OE1-CE 3.35Å; E329-K332 IonicContact OE1-NZ 3.89Å; E329-K332 PolarHBondContact OE1-NZ 2.83Å; E329-K332 WeakPolarHBondContact OE2-CD 3.14Å; E329-K332 WeakPolarHBondContact OE2-CE 3.48Å; E329-K332 IonicContact OE2-NZ 2.84Å; E329-K332 PolarHBondContact OE2-NZ 3.31Å; K332-S334 PolarHBondContact O-N 2.69Å; K332-S334 VanDerWaalsContact O-N 3.15Å |
| 333 | P | 42.9 | Very low | 57.1 | Low | 104 Ų | 104 | 125.8 Ų | 125.8 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -57.6 | 125.5 | 171.2 | -12.7 | 25.3 | 0 | 0 | 0 | 106.9 | T331 D335 | T331-P333 WeakPolarHBondContact O-CD 3.32Å; P333-D335 PolarHBondContact O-N 2.77Å | ||
| 334 | S | 43 | Very low | 55.6 | Low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | trans | -65.8 | 78 | 165.2 | 170.2 | 0 | 0 | 0 | 0 | 107.7 | K332 G336 | K332-S334 PolarHBondContact O-N 2.69Å; K332-S334 VanDerWaalsContact O-N 3.15Å; S334-G336 PolarHBondContact O-N 3.41Å | ||
| 335 | D | 43.5 | Very low | 54.1 | Low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -64.9 | 127.1 | 165.4 | -85.8 | -22.4 | 0 | 0 | 0 | 108.3 | P333 | P333-D335 PolarHBondContact O-N 2.77Š| ||
| 336 | G | 41 | Very low | 52.3 | Low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | 97.8 | 66.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | S334 | S334-G336 PolarHBondContact O-N 3.41Š| ||
| 337 | N | 35 | Very low | 50.3 | Low | 171 Ų | 171 | 131.9 Ų | 131.9 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | trans | -99.4 | 75.6 | 140.2 | -141.4 | 9.4 | 0 | 0 | 0 | 107.1 | ||||
| 338 | I | 37.5 | Very low | 48.2 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -138.5 | 98.3 | 161.9 | -55.9 | 179.7 | 0 | 0 | 0 | 106 | ||||
| 339 | L | 31.2 | Very low | 46.2 | Very low | 244 Ų | 244 | 136.5 Ų | 136.5 | 100% | 1.277 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 0 | 171.6 | -82.3 | 152 | 0 | 0 | 0 | 119 |
Retrieved 339 of 339 residues in 206.4 ms
(Link to these results)