| 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 | 44.1 | Very low | 50.8 | Low | 213 Ų | 213 | 138.2 Ų | 138.2 | 100% | 1.049 | 74% | 0.744 | S | S | * | * | 0 | 77.6 | 0 | -82.7 | -165.6 | 177.2 | 0 | 0 | 106.5 | S3 | M1-S3 PolarHBondContact O-N 2.82Š| |||
| 2 | D | 42.6 | Very low | 52.5 | Low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | trans | -79.9 | 104.4 | 171.1 | -61.8 | -68.7 | 0 | 0 | 0 | 106.6 | ||||
| 3 | S | 46.5 | Very low | 53.8 | Low | 89 Ų | 89 | 130.9 Ų | 130.9 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | trans | -141.2 | 96.9 | 164.5 | -74.7 | 0 | 0 | 0 | 0 | 108.3 | M1 V5 | M1-S3 PolarHBondContact O-N 2.82Å; S3-V5 PolarHBondContact O-N 3.48Å | ||
| 4 | N | 45 | Very low | 55.2 | Low | 136 Ų | 136 | 127.6 Ų | 127.6 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -17.5 | 101.9 | 151.1 | -92.7 | -35.3 | 0 | 0 | 0 | 112 | C6 | N4-C6 PolarHBondContact O-N 2.89Š| ||
| 5 | V | 50.2 | Low | 56.7 | Low | 141 Ų | 141 | 127.5 Ų | 127.5 | 86% | 0.855 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 5.5 | 165.4 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | S3 | S3-V5 PolarHBondContact O-N 3.48Š|
| 6 | C | 48.7 | Very low | 58.1 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 69% | 0.689 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 2.9 | -171.2 | -134.7 | 0 | 0 | 0 | 0 | 115.2 | N4 | N4-C6 PolarHBondContact O-N 2.89Š|
| 7 | M | 50.6 | Low | 59.3 | Low | 157 Ų | 157 | 124 Ų | 124 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | trans | -148.4 | 61.9 | -176.9 | -67.7 | -70.1 | 171.4 | 0 | 0 | 111.5 | ||||
| 8 | I | 51.4 | Low | 60.6 | Low | 68 Ų | 68 | 120.3 Ų | 120.3 | 35% | 0.349 | 65% | 0.648 | S | S | . | * | trans | -125.2 | 89.6 | 170.8 | -55.6 | 177.9 | 0 | 0 | 0 | 107.3 | D13 L14 | I8-D13 HydrophobicContact CG2-CB 4.45Å; I8-L14 HydrophobicContact CD1-CD1 4.39Å; I8-L14 HydrophobicContact CG2-CB 4.18Å | ||
| 9 | D | 53.9 | Low | 61.8 | Low | 158 Ų | 158 | 119.1 Ų | 119.1 | 85% | 0.845 | 64% | 0.637 | S | S | * | * | trans | -93.3 | 0.6 | 177.9 | -75.9 | -28 | 0 | 0 | 0 | 112.9 | ||||
| 10 | D | 60 | Low | 62.9 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | trans | -127.2 | 126.3 | 179.4 | -86.9 | -39 | 0 | 0 | 0 | 113 | S12 D13 | D10-S12 PolarHBondContact O-N 3.4Å; D10-S12 VanDerWaalsContact O-N 3.09Å; D10-D13 PolarHBondContact O-N 2.77Å | ||
| 11 | F | 66.2 | Low | 63.8 | Low | 174 Ų | 174 | 118 Ų | 118 | 76% | 0.763 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.2 | -20 | -175.6 | -173.6 | -100 | 0 | 0 | 0 | 114 | K15 | F11-K15 PolarHBondContact O-N 3.09Å |
| 12 | S | 71.3 | Confident | 65.8 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 54% | 0.538 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.1 | -41.7 | -179.1 | -158.8 | 0 | 0 | 0 | 0 | 112.8 | D10 L14 K15 D16 | D10-S12 PolarHBondContact O-N 3.4Å; D10-S12 VanDerWaalsContact O-N 3.09Å; S12-L14 VanDerWaalsContact C-N 3.3Å; S12-L14 PolarHBondContact O-N 2.95Å; S12-K15 WeakPolarHBondContact O-CB 3.46Å; S12-K15 PolarHBondContact O-N 2.71Å; S12-D16 PolarHBondContact O-N 2.91Å |
| 13 | D | 69.1 | Low | 67.9 | Low | 105 Ų | 105 | 112.2 Ų | 112.2 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.3 | -34 | 179.4 | -72.8 | -13.8 | 0 | 0 | 0 | 111.4 | I8 D10 K15 L17 | I8-D13 HydrophobicContact CG2-CB 4.45Å; D10-D13 PolarHBondContact O-N 2.77Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 PolarHBondContact O-N 2.79Å; D13-L17 VanDerWaalsContact O-CB 3.29Å; D13-L17 WeakPolarHBondContact O-CB 3.43Å; D13-L17 PolarHBondContact O-N 3.44Å |
| 14 | L | 73.3 | Confident | 69.9 | Low | 85 Ų | 85 | 111.2 Ų | 111.2 | 45% | 0.445 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.5 | -38.4 | 170.8 | -169.4 | 68.8 | 0 | 0 | 0 | 111.2 | I8 S12 V18 | I8-L14 HydrophobicContact CD1-CD1 4.39Å; I8-L14 HydrophobicContact CG2-CB 4.18Å; S12-L14 VanDerWaalsContact C-N 3.3Å; S12-L14 PolarHBondContact O-N 2.95Å; L14-V18 VanDerWaalsContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CB 3.39Å; L14-V18 WeakPolarHBondContact O-CG2 3.22Å; L14-V18 PolarHBondContact O-N 3.29Å |
| 15 | K | 77.4 | Confident | 71.9 | Confident | 126 Ų | 126 | 112.2 Ų | 112.2 | 55% | 0.548 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70 | -44.1 | -179.4 | -165.5 | -179.7 | 175.9 | -170.2 | 0 | 111.8 | F11 S12 D13 V18 E19 | F11-K15 PolarHBondContact O-N 3.09Å; S12-K15 WeakPolarHBondContact O-CB 3.46Å; S12-K15 PolarHBondContact O-N 2.71Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 PolarHBondContact O-N 2.79Å; K15-V18 PolarHBondContact O-N 3.42Å; K15-E19 WeakPolarHBondContact O-CB 3.24Å; K15-E19 PolarHBondContact O-N 3.49Å |
| 16 | D | 78.9 | Confident | 73.7 | Confident | 102 Ų | 102 | 107.7 Ų | 107.7 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 176.6 | -84.5 | 0.6 | 0 | 0 | 0 | 112.1 | S12 V18 E19 K20 | S12-D16 PolarHBondContact O-N 2.91Å; D16-V18 VanDerWaalsContact C-N 3.33Å; D16-V18 PolarHBondContact O-N 3.31Å; D16-E19 PolarHBondContact O-N 3.4Å; D16-K20 VanDerWaalsContact O-CB 3.32Å; D16-K20 WeakPolarHBondContact O-CB 3.28Å; D16-K20 PolarHBondContact O-N 3.21Å |
| 17 | L | 79.2 | Confident | 75.7 | Confident | 93 Ų | 93 | 108.1 Ų | 108.1 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -39.5 | 174.4 | -165.6 | 76.4 | 0 | 0 | 0 | 111.3 | D13 S21 | D13-L17 VanDerWaalsContact O-CB 3.29Å; D13-L17 WeakPolarHBondContact O-CB 3.43Å; D13-L17 PolarHBondContact O-N 3.44Å; L17-S21 WeakPolarHBondContact O-CB 3.43Å; L17-S21 PolarHBondContact O-N 2.92Å |
| 18 | V | 82.6 | Confident | 77.5 | Confident | 58 Ų | 58 | 103.9 Ų | 103.9 | 35% | 0.352 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 174.5 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | L14 K15 D16 S21 R22 | L14-V18 VanDerWaalsContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CB 3.39Å; L14-V18 WeakPolarHBondContact O-CG2 3.22Å; L14-V18 PolarHBondContact O-N 3.29Å; K15-V18 PolarHBondContact O-N 3.42Å; D16-V18 VanDerWaalsContact C-N 3.33Å; D16-V18 PolarHBondContact O-N 3.31Å; V18-S21 PolarHBondContact O-N 3.3Å; V18-R22 WeakPolarHBondContact O-CB 3.38Å; V18-R22 VanDerWaalsContact O-CG 3.29Å; V18-R22 WeakPolarHBondContact O-CG 3.46Å; V18-R22 PolarHBondContact O-N 3.36Å |
| 19 | E | 83.8 | Confident | 79.4 | Confident | 96 Ų | 96 | 103 Ų | 103 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.6 | -42 | 179.7 | -165 | 140.6 | -177.4 | 0 | 0 | 111.9 | K15 D16 S21 R22 N23 | K15-E19 WeakPolarHBondContact O-CB 3.24Å; K15-E19 PolarHBondContact O-N 3.49Å; D16-E19 PolarHBondContact O-N 3.4Å; E19-S21 VanDerWaalsContact C-N 3.35Å; E19-S21 PolarHBondContact O-N 2.76Å; E19-R22 WeakPolarHBondContact O-CB 3.44Å; E19-R22 PolarHBondContact O-N 2.93Å; E19-R22 VanDerWaalsContact O-N 3.16Å; E19-N23 PolarHBondContact O-N 3.42Å |
| 20 | K | 83.9 | Confident | 81.2 | Confident | 140 Ų | 140 | 99.3 Ų | 99.3 | 61% | 0.609 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 172.1 | -164.5 | 175.1 | -171.7 | 174.3 | 0 | 111.7 | D16 R22 N23 V24 | D16-K20 VanDerWaalsContact O-CB 3.32Å; D16-K20 WeakPolarHBondContact O-CB 3.28Å; D16-K20 PolarHBondContact O-N 3.21Å; K20-R22 VanDerWaalsContact C-N 3.32Å; K20-R22 PolarHBondContact O-N 3.24Å; K20-N23 PolarHBondContact O-N 3.27Å; K20-V24 WeakPolarHBondContact O-CG2 3.43Å; K20-V24 PolarHBondContact O-N 3.04Å |
| 21 | S | 81.9 | Confident | 82.7 | Confident | 77 Ų | 77 | 99.8 Ų | 99.8 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | L17 V18 E19 K25 | L17-S21 WeakPolarHBondContact O-CB 3.43Å; L17-S21 PolarHBondContact O-N 2.92Å; V18-S21 PolarHBondContact O-N 3.3Å; E19-S21 VanDerWaalsContact C-N 3.35Å; E19-S21 PolarHBondContact O-N 2.76Å; S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 PolarHBondContact O-N 3.19Å |
| 22 | R | 86.2 | Confident | 83.8 | Confident | 162 Ų | 162 | 95.7 Ų | 95.7 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 174.5 | -79.8 | 175.1 | -176.7 | 155.9 | 2.2 | 112.6 | V18 E19 K20 K25 A26 | V18-R22 WeakPolarHBondContact O-CB 3.38Å; V18-R22 VanDerWaalsContact O-CG 3.29Å; V18-R22 WeakPolarHBondContact O-CG 3.46Å; V18-R22 PolarHBondContact O-N 3.36Å; E19-R22 WeakPolarHBondContact O-CB 3.44Å; E19-R22 PolarHBondContact O-N 2.93Å; E19-R22 VanDerWaalsContact O-N 3.16Å; K20-R22 VanDerWaalsContact C-N 3.32Å; K20-R22 PolarHBondContact O-N 3.24Å; R22-K25 CarbonylContact O-C 3.59Å; R22-K25 WeakPolarHBondContact O-CB 3.44Å; R22-K25 PolarHBondContact O-N 3.35Å; R22-A26 WeakPolarHBondContact O-CB 3.42Å; R22-A26 PolarHBondContact O-N 2.94Å |
| 23 | N | 86 | Confident | 84.8 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 178.8 | -71.9 | -11.6 | 0 | 0 | 0 | 111.5 | E19 K20 K25 A26 D27 | E19-N23 PolarHBondContact O-N 3.42Å; K20-N23 PolarHBondContact O-N 3.27Å; N23-K25 PolarHBondContact O-N 3.49Å; N23-A26 WeakPolarHBondContact O-CA 3.38Å; N23-A26 WeakPolarHBondContact O-CB 2.8Å; N23-A26 PolarHBondContact O-N 3.24Å; N23-D27 PolarHBondContact O-N 3.33Å |
| 24 | V | 87.4 | Confident | 86 | Confident | 69 Ų | 69 | 98.3 Ų | 98.3 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | K20 A26 V28 | K20-V24 WeakPolarHBondContact O-CG2 3.43Å; K20-V24 PolarHBondContact O-N 3.04Å; V24-A26 VanDerWaalsContact C-N 3.31Å; V24-A26 PolarHBondContact O-N 3.16Å; V24-V28 HydrophobicContact CG1-CG2 4.16Å; V24-V28 VanDerWaalsContact O-CB 3.25Å; V24-V28 WeakPolarHBondContact O-CB 3.35Å; V24-V28 WeakPolarHBondContact O-CG2 3.22Å; V24-V28 PolarHBondContact O-N 3.49Å |
| 25 | K | 87.5 | Confident | 86.8 | Confident | 157 Ų | 157 | 99.2 Ų | 99.2 | 68% | 0.683 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -34.3 | 175.3 | -171.7 | 178.3 | -179 | -179.7 | 0 | 112.3 | S21 R22 N23 S29 | S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 PolarHBondContact O-N 3.19Å; R22-K25 CarbonylContact O-C 3.59Å; R22-K25 WeakPolarHBondContact O-CB 3.44Å; R22-K25 PolarHBondContact O-N 3.35Å; N23-K25 PolarHBondContact O-N 3.49Å; K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.02Å |
| 26 | A | 89.1 | Confident | 87.5 | Confident | 46 Ų | 46 | 97.8 Ų | 97.8 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.7 | -49.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R22 N23 V24 V28 S29 D30 | R22-A26 WeakPolarHBondContact O-CB 3.42Å; R22-A26 PolarHBondContact O-N 2.94Å; N23-A26 WeakPolarHBondContact O-CA 3.38Å; N23-A26 WeakPolarHBondContact O-CB 2.8Å; N23-A26 PolarHBondContact O-N 3.24Å; V24-A26 VanDerWaalsContact C-N 3.31Å; V24-A26 PolarHBondContact O-N 3.16Å; A26-V28 PolarHBondContact O-N 3.05Å; A26-S29 CarbonylContact O-C 3.57Å; A26-S29 WeakPolarHBondContact O-CA 3.35Å; A26-S29 WeakPolarHBondContact O-CB 3.43Å; A26-S29 PolarHBondContact O-N 3.12Å; A26-D30 PolarHBondContact O-N 2.79Å |
| 27 | D | 89.4 | Confident | 88 | Confident | 111 Ų | 111 | 95.1 Ų | 95.1 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.1 | -47.7 | 177.2 | -69.3 | -15.9 | 0 | 0 | 0 | 111.2 | N23 S29 D30 E31 | N23-D27 PolarHBondContact O-N 3.33Å; D27-S29 VanDerWaalsContact C-N 3.28Å; D27-S29 PolarHBondContact O-N 3.35Å; D27-D30 PolarHBondContact O-N 3.4Å; D27-E31 PolarHBondContact O-N 2.98Å |
| 28 | V | 89.7 | Confident | 88.6 | Confident | 67 Ų | 67 | 98.9 Ų | 98.9 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | V24 A26 D30 I32 | V24-V28 HydrophobicContact CG1-CG2 4.16Å; V24-V28 VanDerWaalsContact O-CB 3.25Å; V24-V28 WeakPolarHBondContact O-CB 3.35Å; V24-V28 WeakPolarHBondContact O-CG2 3.22Å; V24-V28 PolarHBondContact O-N 3.49Å; A26-V28 PolarHBondContact O-N 3.05Å; V28-D30 VanDerWaalsContact C-N 3.34Å; V28-I32 HydrophobicContact CG1-CD1 3.73Å; V28-I32 HydrophobicContact CG1-CG1 4.35Å; V28-I32 VanDerWaalsContact O-CB 3.3Å; V28-I32 WeakPolarHBondContact O-CB 3.35Å; V28-I32 WeakPolarHBondContact O-CD1 3.38Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.2Å |
| 29 | S | 91.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 103.1 Ų | 103.1 | 34% | 0.343 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | K25 A26 D27 K33 | K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.02Å; A26-S29 CarbonylContact O-C 3.57Å; A26-S29 WeakPolarHBondContact O-CA 3.35Å; A26-S29 WeakPolarHBondContact O-CB 3.43Å; A26-S29 PolarHBondContact O-N 3.12Å; D27-S29 VanDerWaalsContact C-N 3.28Å; D27-S29 PolarHBondContact O-N 3.35Å; S29-K33 WeakPolarHBondContact O-CG 3.49Å; S29-K33 PolarHBondContact O-N 3.03Å |
| 30 | D | 91.2 | Very high | 89.4 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.7 | -39 | -179.9 | -72 | -17.9 | 0 | 0 | 0 | 111.6 | A26 D27 V28 I32 K33 D34 | A26-D30 PolarHBondContact O-N 2.79Å; D27-D30 PolarHBondContact O-N 3.4Å; V28-D30 VanDerWaalsContact C-N 3.34Å; D30-I32 VanDerWaalsContact C-N 3.31Å; D30-I32 PolarHBondContact O-N 2.98Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 PolarHBondContact O-N 2.92Å; D30-K33 VanDerWaalsContact O-N 3.09Å; D30-K33 IonicContact OD1-NZ 3.4Å; D30-K33 PolarHBondContact OD1-NZ 3.14Å; D30-D34 PolarHBondContact O-N 3.08Å |
| 31 | E | 91.1 | Very high | 89.8 | Confident | 127 Ų | 127 | 100.6 Ų | 100.6 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 171 | -168.2 | 174.3 | -166.1 | 0 | 0 | 111.6 | D27 K33 D34 L35 | D27-E31 PolarHBondContact O-N 2.98Å; E31-K33 PolarHBondContact O-N 3.25Å; E31-D34 PolarHBondContact O-N 3.4Å; E31-L35 HydrophobicContact CG-CD1 4.29Å; E31-L35 WeakPolarHBondContact O-CB 3.46Å; E31-L35 VanDerWaalsContact O-CG 3.29Å; E31-L35 WeakPolarHBondContact O-CG 3.41Å; E31-L35 PolarHBondContact O-N 3.43Å |
| 32 | I | 90.3 | Very high | 90.3 | Very high | 88 Ų | 88 | 101.1 Ų | 101.1 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 172.7 | -73.8 | 168.1 | 0 | 0 | 0 | 110.9 | V28 D30 L35 L36 | V28-I32 HydrophobicContact CG1-CD1 3.73Å; V28-I32 HydrophobicContact CG1-CG1 4.35Å; V28-I32 VanDerWaalsContact O-CB 3.3Å; V28-I32 WeakPolarHBondContact O-CB 3.35Å; V28-I32 WeakPolarHBondContact O-CD1 3.38Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.2Å; D30-I32 VanDerWaalsContact C-N 3.31Å; D30-I32 PolarHBondContact O-N 2.98Å; I32-L35 PolarHBondContact O-N 3.48Å; I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.21Å; I32-L36 VanDerWaalsContact O-CB 3.28Å; I32-L36 WeakPolarHBondContact O-CB 3.47Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.31Å |
| 33 | K | 92.8 | Very high | 90.7 | Very high | 117 Ų | 117 | 98 Ų | 98 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.1 | -73.8 | 171.6 | -162.8 | 155.1 | 0 | 111.6 | S29 D30 E31 L36 A37 | S29-K33 WeakPolarHBondContact O-CG 3.49Å; S29-K33 PolarHBondContact O-N 3.03Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 PolarHBondContact O-N 2.92Å; D30-K33 VanDerWaalsContact O-N 3.09Å; D30-K33 IonicContact OD1-NZ 3.4Å; D30-K33 PolarHBondContact OD1-NZ 3.14Å; E31-K33 PolarHBondContact O-N 3.25Å; K33-L36 PolarHBondContact O-N 2.87Å; K33-A37 WeakPolarHBondContact O-CB 3.43Å; K33-A37 PolarHBondContact O-N 3Å |
| 34 | D | 92.3 | Very high | 91 | Very high | 120 Ų | 120 | 99.9 Ų | 99.9 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 178.2 | -84.2 | 0.7 | 0 | 0 | 0 | 111.7 | D30 E31 L36 A37 R38 | D30-D34 PolarHBondContact O-N 3.08Å; E31-D34 PolarHBondContact O-N 3.4Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.06Å; D34-A37 PolarHBondContact O-N 3.36Å; D34-R38 WeakPolarHBondContact O-CB 3.37Å; D34-R38 PolarHBondContact O-N 3.45Å |
| 35 | L | 91.6 | Very high | 91.2 | Very high | 104 Ų | 104 | 102.9 Ų | 102.9 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 174.3 | -72.8 | 174.6 | 0 | 0 | 0 | 112 | E31 I32 R39 | E31-L35 HydrophobicContact CG-CD1 4.29Å; E31-L35 WeakPolarHBondContact O-CB 3.46Å; E31-L35 VanDerWaalsContact O-CG 3.29Å; E31-L35 WeakPolarHBondContact O-CG 3.41Å; E31-L35 PolarHBondContact O-N 3.43Å; I32-L35 PolarHBondContact O-N 3.48Å; L35-R39 VanDerWaalsContact O-CB 3.26Å; L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 PolarHBondContact O-N 2.91Å |
| 36 | L | 91.1 | Very high | 91.5 | Very high | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 174.8 | -76 | 171.3 | 0 | 0 | 0 | 111.9 | I32 K33 D34 R39 S40 | I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.21Å; I32-L36 VanDerWaalsContact O-CB 3.28Å; I32-L36 WeakPolarHBondContact O-CB 3.47Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.31Å; K33-L36 PolarHBondContact O-N 2.87Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.06Å; L36-R39 WeakPolarHBondContact O-CB 3.35Å; L36-R39 PolarHBondContact O-N 3.24Å; L36-S40 PolarHBondContact O-N 3.28Å |
| 37 | A | 90.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 105.2 Ų | 105.2 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | K33 D34 R39 S40 E41 | K33-A37 WeakPolarHBondContact O-CB 3.43Å; K33-A37 PolarHBondContact O-N 3Å; D34-A37 PolarHBondContact O-N 3.36Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 2.72Å; A37-S40 PolarHBondContact O-N 2.99Å; A37-S40 VanDerWaalsContact O-N 3.09Å; A37-S40 PolarHBondContact O-OG 3.03Å; A37-E41 PolarHBondContact O-N 3.32Å |
| 38 | R | 91.5 | Very high | 91.9 | Very high | 172 Ų | 172 | 106.4 Ų | 106.4 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -39 | 176.3 | -171.2 | 174.6 | -178.5 | 169 | 0.6 | 112.2 | D34 E41 I42 | D34-R38 WeakPolarHBondContact O-CB 3.37Å; D34-R38 PolarHBondContact O-N 3.45Å; R38-E41 PolarHBondContact O-N 3.42Å; R38-I42 HydrophobicContact CG-CD1 4.12Å; R38-I42 VanDerWaalsContact O-CG1 3.28Å; R38-I42 WeakPolarHBondContact O-CG1 3.18Å; R38-I42 PolarHBondContact O-N 3.38Å |
| 39 | R | 92.7 | Very high | 92 | Very high | 148 Ų | 148 | 108.1 Ų | 108.1 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.2 | -46.2 | 173.9 | 179.6 | -178.4 | 168.3 | -172 | -3.7 | 111 | L35 L36 A37 E41 I42 E43 | L35-R39 VanDerWaalsContact O-CB 3.26Å; L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 PolarHBondContact O-N 2.91Å; L36-R39 WeakPolarHBondContact O-CB 3.35Å; L36-R39 PolarHBondContact O-N 3.24Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 2.72Å; R39-E41 VanDerWaalsContact C-N 3.34Å; R39-E41 PolarHBondContact O-N 3.36Å; R39-I42 PolarHBondContact O-N 3.34Å; R39-E43 HydrophobicContact CG-CG 4.44Å; R39-E43 IonicContact CZ-OE1 2.8Å; R39-E43 IonicContact NE-OE1 3.02Å; R39-E43 PolarHBondContact NE-OE1 3.41Å; R39-E43 IonicContact NH2-OE1 2.77Å; R39-E43 PolarHBondContact NH2-OE1 3.23Å; R39-E43 WeakPolarHBondContact O-CB 3.39Å; R39-E43 WeakPolarHBondContact O-CG 3.39Å; R39-E43 PolarHBondContact O-N 3.01Å |
| 40 | S | 90.5 | Very high | 92.1 | Very high | 66 Ų | 66 | 110 Ų | 110 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 178.3 | 74.6 | 0 | 0 | 0 | 0 | 113 | L36 A37 E43 H44 | L36-S40 PolarHBondContact O-N 3.28Å; A37-S40 PolarHBondContact O-N 2.99Å; A37-S40 VanDerWaalsContact O-N 3.09Å; A37-S40 PolarHBondContact O-OG 3.03Å; S40-E43 PolarHBondContact O-N 3.41Å; S40-H44 WeakPolarHBondContact O-CB 3.31Å; S40-H44 PolarHBondContact O-N 3.04Å |
| 41 | E | 92.6 | Very high | 92.1 | Very high | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 174.6 | -73.5 | -174.4 | -174.6 | 0 | 0 | 112.1 | A37 R38 R39 H44 K45 | A37-E41 PolarHBondContact O-N 3.32Å; R38-E41 PolarHBondContact O-N 3.42Å; R39-E41 VanDerWaalsContact C-N 3.34Å; R39-E41 PolarHBondContact O-N 3.36Å; E41-H44 PolarHBondContact O-N 3.39Å; E41-K45 WeakPolarHBondContact O-CG 3.33Å; E41-K45 PolarHBondContact O-N 3.35Å |
| 42 | I | 92.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 107 Ų | 107 | 46% | 0.456 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.3 | -69.1 | 167.2 | 0 | 0 | 0 | 109.8 | R38 R39 H44 K45 L46 | R38-I42 HydrophobicContact CG-CD1 4.12Å; R38-I42 VanDerWaalsContact O-CG1 3.28Å; R38-I42 WeakPolarHBondContact O-CG1 3.18Å; R38-I42 PolarHBondContact O-N 3.38Å; R39-I42 PolarHBondContact O-N 3.34Å; I42-H44 VanDerWaalsContact C-N 3.28Å; I42-H44 PolarHBondContact O-N 3.26Å; I42-K45 PolarHBondContact O-N 2.65Å; I42-L46 VanDerWaalsContact O-CB 3.26Å; I42-L46 WeakPolarHBondContact O-CB 3.47Å; I42-L46 PolarHBondContact O-N 3.41Å |
| 43 | E | 93.8 | Very high | 92.4 | Very high | 97 Ų | 97 | 107.2 Ų | 107.2 | 45% | 0.453 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 176.5 | -75.9 | 178 | -178.6 | 0 | 0 | 111.4 | R39 S40 L46 K47 | R39-E43 HydrophobicContact CG-CG 4.44Å; R39-E43 IonicContact CZ-OE1 2.8Å; R39-E43 IonicContact NE-OE1 3.02Å; R39-E43 PolarHBondContact NE-OE1 3.41Å; R39-E43 IonicContact NH2-OE1 2.77Å; R39-E43 PolarHBondContact NH2-OE1 3.23Å; R39-E43 WeakPolarHBondContact O-CB 3.39Å; R39-E43 WeakPolarHBondContact O-CG 3.39Å; R39-E43 PolarHBondContact O-N 3.01Å; S40-E43 PolarHBondContact O-N 3.41Å; E43-L46 PolarHBondContact O-N 2.8Å; E43-K47 WeakPolarHBondContact O-CB 3.37Å; E43-K47 PolarHBondContact O-N 3.11Å |
| 44 | H | 92.1 | Very high | 92.4 | Very high | 131 Ų | 131 | 104.9 Ų | 104.9 | 61% | 0.606 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -45.5 | 174.7 | -175.9 | -86.6 | 0 | 0 | 0 | 112.5 | S40 E41 I42 L46 K47 K48 | S40-H44 WeakPolarHBondContact O-CB 3.31Å; S40-H44 PolarHBondContact O-N 3.04Å; E41-H44 PolarHBondContact O-N 3.39Å; I42-H44 VanDerWaalsContact C-N 3.28Å; I42-H44 PolarHBondContact O-N 3.26Å; H44-L46 VanDerWaalsContact C-N 3.33Å; H44-L46 PolarHBondContact O-N 3.46Å; H44-K47 PolarHBondContact O-N 3.2Å; H44-K48 PolarHBondContact O-N 3.01Å |
| 45 | K | 92.5 | Very high | 92.4 | Very high | 132 Ų | 132 | 103.2 Ų | 103.2 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 175.3 | -73 | 176 | -177.5 | 171.1 | 0 | 111.5 | E41 I42 K48 I49 | E41-K45 WeakPolarHBondContact O-CG 3.33Å; E41-K45 PolarHBondContact O-N 3.35Å; I42-K45 PolarHBondContact O-N 2.65Å; K45-K48 PolarHBondContact O-N 2.87Å; K45-I49 WeakPolarHBondContact O-CG1 3.4Å; K45-I49 PolarHBondContact O-N 2.93Å |
| 46 | L | 93.7 | Very high | 92.5 | Very high | 93 Ų | 93 | 104.6 Ų | 104.6 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 178.4 | -157 | 152.8 | 0 | 0 | 0 | 110.7 | I42 E43 H44 I49 N50 | I42-L46 VanDerWaalsContact O-CB 3.26Å; I42-L46 WeakPolarHBondContact O-CB 3.47Å; I42-L46 PolarHBondContact O-N 3.41Å; E43-L46 PolarHBondContact O-N 2.8Å; H44-L46 VanDerWaalsContact C-N 3.33Å; H44-L46 PolarHBondContact O-N 3.46Å; L46-I49 PolarHBondContact O-N 3.21Å; L46-N50 WeakPolarHBondContact CD2-ND2 3.44Å; L46-N50 WeakPolarHBondContact O-CB 3.25Å; L46-N50 PolarHBondContact O-N 3.24Å |
| 47 | K | 93.2 | Very high | 92.6 | Very high | 160 Ų | 160 | 105.7 Ų | 105.7 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 171.9 | -165.5 | 176.6 | -176 | 179.5 | 0 | 112.1 | E43 H44 N50 S51 | E43-K47 WeakPolarHBondContact O-CB 3.37Å; E43-K47 PolarHBondContact O-N 3.11Å; H44-K47 PolarHBondContact O-N 3.2Å; K47-N50 PolarHBondContact O-N 3.08Å; K47-S51 PolarHBondContact O-N 3.26Å; K47-S51 PolarHBondContact O-OG 2.95Å |
| 48 | K | 93 | Very high | 92.8 | Very high | 135 Ų | 135 | 109.3 Ų | 109.3 | 59% | 0.587 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 175.4 | -170.5 | 176.9 | -178.7 | 179.6 | 0 | 111.8 | H44 K45 S51 L52 | H44-K48 PolarHBondContact O-N 3.01Å; K45-K48 PolarHBondContact O-N 2.87Å; K48-S51 WeakPolarHBondContact CA-OG 3.46Å; K48-S51 PolarHBondContact O-N 3.4Å; K48-S51 PolarHBondContact O-OG 3.38Å; K48-L52 WeakPolarHBondContact O-CG 3.46Å; K48-L52 PolarHBondContact O-N 3.23Å |
| 49 | I | 91.9 | Very high | 93 | Very high | 104 Ų | 104 | 106.3 Ų | 106.3 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 173.9 | -70.4 | 169.5 | 0 | 0 | 0 | 109.9 | K45 L46 S51 L52 I53 | K45-I49 WeakPolarHBondContact O-CG1 3.4Å; K45-I49 PolarHBondContact O-N 2.93Å; L46-I49 PolarHBondContact O-N 3.21Å; I49-S51 PolarHBondContact O-N 2.71Å; I49-L52 WeakPolarHBondContact O-CA 3.18Å; I49-L52 WeakPolarHBondContact O-CB 3.08Å; I49-L52 PolarHBondContact O-N 3.34Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 2.71Å |
| 50 | N | 92.4 | Very high | 93.1 | Very high | 88 Ų | 88 | 104.5 Ų | 104.5 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 178.1 | -79.5 | -5.7 | 0 | 0 | 0 | 112.6 | L46 K47 L52 I53 P54 | L46-N50 WeakPolarHBondContact CD2-ND2 3.44Å; L46-N50 WeakPolarHBondContact O-CB 3.25Å; L46-N50 PolarHBondContact O-N 3.24Å; K47-N50 PolarHBondContact O-N 3.08Å; N50-L52 VanDerWaalsContact C-N 3.29Å; N50-L52 PolarHBondContact O-N 3.33Å; N50-I53 WeakPolarHBondContact OD1-CD1 3.37Å; N50-P54 WeakPolarHBondContact O-CD 3.22Å |
| 51 | S | 91.9 | Very high | 93.3 | Very high | 76 Ų | 76 | 103.8 Ų | 103.8 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69 | -24.5 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | K47 K48 I49 P54 | K47-S51 PolarHBondContact O-N 3.26Å; K47-S51 PolarHBondContact O-OG 2.95Å; K48-S51 WeakPolarHBondContact CA-OG 3.46Å; K48-S51 PolarHBondContact O-N 3.4Å; K48-S51 PolarHBondContact O-OG 3.38Å; I49-S51 PolarHBondContact O-N 2.71Å; S51-P54 WeakPolarHBondContact O-CD 3.33Å |
| 52 | L | 93.9 | Very high | 93.4 | Very high | 69 Ų | 69 | 102.8 Ų | 102.8 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -87.9 | -21.6 | 178.7 | -72.5 | 164.3 | 0 | 0 | 0 | 113.1 | K48 I49 N50 P54 D55 F56 | K48-L52 WeakPolarHBondContact O-CG 3.46Å; K48-L52 PolarHBondContact O-N 3.23Å; I49-L52 WeakPolarHBondContact O-CA 3.18Å; I49-L52 WeakPolarHBondContact O-CB 3.08Å; I49-L52 PolarHBondContact O-N 3.34Å; N50-L52 VanDerWaalsContact C-N 3.29Å; N50-L52 PolarHBondContact O-N 3.33Å; L52-P54 VanDerWaalsContact C-CD 3.5Å; L52-P54 VanDerWaalsContact C-N 3.34Å; L52-D55 PolarHBondContact O-N 3.48Å; L52-F56 HydrophobicContact CB-CD2 4.07Å; L52-F56 HydrophobicContact CB-CE2 3.89Å; L52-F56 VanDerWaalsContact O-CD2 3.31Å; L52-F56 WeakPolarHBondContact O-CD2 3.33Å; L52-F56 PolarHBondContact O-N 3.21Å |
| 53 | I | 93.7 | Very high | 93.6 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -51.4 | -45.4 | 179.1 | -70.6 | 173.2 | 0 | 0 | 0 | 112.5 | I49 N50 D55 F56 H57 | I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 2.71Å; N50-I53 WeakPolarHBondContact OD1-CD1 3.37Å; I53-D55 VanDerWaalsContact C-N 3.3Å; I53-D55 PolarHBondContact O-N 3.23Å; I53-F56 PolarHBondContact O-N 2.97Å; I53-H57 PolarHBondContact O-N 3.46Å |
| 54 | P | 92.5 | Very high | 93.7 | Very high | 68 Ų | 68 | 100.7 Ų | 100.7 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -36 | 176.4 | -24.5 | 34.9 | 0 | 0 | 0 | 113.6 | N50 S51 L52 H57 K58 | N50-P54 WeakPolarHBondContact O-CD 3.22Å; S51-P54 WeakPolarHBondContact O-CD 3.33Å; L52-P54 VanDerWaalsContact C-CD 3.5Å; L52-P54 VanDerWaalsContact C-N 3.34Å; P54-H57 PolarHBondContact O-N 3.49Å; P54-K58 WeakPolarHBondContact O-CG 3.44Å; P54-K58 PolarHBondContact O-N 3.34Å |
| 55 | D | 93.2 | Very high | 93.9 | Very high | 85 Ų | 85 | 97.9 Ų | 97.9 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.2 | -37.5 | 178.9 | -67.9 | -24 | 0 | 0 | 0 | 111.5 | L52 I53 H57 K58 L59 | L52-D55 PolarHBondContact O-N 3.48Å; I53-D55 VanDerWaalsContact C-N 3.3Å; I53-D55 PolarHBondContact O-N 3.23Å; D55-H57 VanDerWaalsContact C-N 3.33Å; D55-K58 PolarHBondContact O-N 3.06Å; D55-K58 IonicContact OD1-NZ 2.79Å; D55-L59 WeakPolarHBondContact O-CB 3.43Å; D55-L59 PolarHBondContact O-N 2.98Å |
| 56 | F | 93.2 | Very high | 94 | Very high | 133 Ų | 133 | 94.6 Ų | 94.6 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 169.7 | -77.3 | -63.8 | 0 | 0 | 0 | 112 | L52 I53 L59 Q60 | L52-F56 HydrophobicContact CB-CD2 4.07Å; L52-F56 HydrophobicContact CB-CE2 3.89Å; L52-F56 VanDerWaalsContact O-CD2 3.31Å; L52-F56 WeakPolarHBondContact O-CD2 3.33Å; L52-F56 PolarHBondContact O-N 3.21Å; I53-F56 PolarHBondContact O-N 2.97Å; F56-L59 PolarHBondContact O-N 3.45Å; F56-Q60 WeakPolarHBondContact O-CB 3.31Å; F56-Q60 PolarHBondContact O-N 3.42Å |
| 57 | H | 93.6 | Very high | 94.1 | Very high | 119 Ų | 119 | 94.2 Ų | 94.2 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -43.9 | 175.2 | -173.5 | -74.3 | 0 | 0 | 0 | 111.5 | I53 P54 D55 L59 Q60 V61 | I53-H57 PolarHBondContact O-N 3.46Å; P54-H57 PolarHBondContact O-N 3.49Å; D55-H57 VanDerWaalsContact C-N 3.33Å; H57-L59 VanDerWaalsContact C-N 3.33Å; H57-L59 PolarHBondContact O-N 2.87Å; H57-Q60 PolarHBondContact O-N 3.44Å; H57-V61 WeakPolarHBondContact O-CG2 3.22Å; H57-V61 PolarHBondContact O-N 3.45Å |
| 58 | K | 94.5 | Very high | 94.3 | Very high | 123 Ų | 123 | 92.8 Ų | 92.8 | 54% | 0.535 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 173.3 | -72.7 | 170.8 | -171 | 165.9 | 0 | 111.6 | P54 D55 V61 N62 | P54-K58 WeakPolarHBondContact O-CG 3.44Å; P54-K58 PolarHBondContact O-N 3.34Å; D55-K58 PolarHBondContact O-N 3.06Å; D55-K58 IonicContact OD1-NZ 2.79Å; K58-V61 PolarHBondContact O-N 3.35Å; K58-N62 WeakPolarHBondContact O-CB 3.25Å; K58-N62 PolarHBondContact O-N 3.29Å; K58-N62 PolarHBondContact O-ND2 2.99Å |
| 59 | L | 95.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 92.2 Ų | 92.2 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 177.7 | -177.9 | 62.1 | 0 | 0 | 0 | 111.5 | D55 F56 H57 N62 A63 | D55-L59 WeakPolarHBondContact O-CB 3.43Å; D55-L59 PolarHBondContact O-N 2.98Å; F56-L59 PolarHBondContact O-N 3.45Å; H57-L59 VanDerWaalsContact C-N 3.33Å; H57-L59 PolarHBondContact O-N 2.87Å; L59-N62 PolarHBondContact O-N 2.86Å; L59-A63 VanDerWaalsContact O-CB 3.32Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.32Å |
| 60 | Q | 95.6 | Very high | 94.6 | Very high | 110 Ų | 110 | 92 Ų | 92 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 175 | -178.4 | -177.8 | -13 | 0 | 0 | 111 | F56 H57 N62 A63 E64 | F56-Q60 WeakPolarHBondContact O-CB 3.31Å; F56-Q60 PolarHBondContact O-N 3.42Å; H57-Q60 PolarHBondContact O-N 3.44Å; Q60-N62 VanDerWaalsContact C-N 3.28Å; Q60-N62 PolarHBondContact O-N 3.02Å; Q60-A63 PolarHBondContact O-N 3.02Å; Q60-A63 VanDerWaalsContact O-N 3.16Å; Q60-E64 PolarHBondContact NE2-OE1 3.26Å; Q60-E64 WeakPolarHBondContact O-CG 3.37Å; Q60-E64 PolarHBondContact O-N 3.21Å |
| 61 | V | 95.3 | Very high | 94.8 | Very high | 52 Ų | 52 | 89.8 Ų | 89.8 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | H57 K58 E64 N65 | H57-V61 WeakPolarHBondContact O-CG2 3.22Å; H57-V61 PolarHBondContact O-N 3.45Å; K58-V61 PolarHBondContact O-N 3.35Å; V61-E64 PolarHBondContact O-N 2.89Å; V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 PolarHBondContact O-N 3.11Å; V61-N65 PolarHBondContact O-ND2 2.75Å |
| 62 | N | 94.7 | Very high | 95 | Very high | 95 Ų | 95 | 90.4 Ų | 90.4 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 176.7 | -73.3 | -12 | 0 | 0 | 0 | 112.3 | K58 L59 Q60 N65 S66 | K58-N62 WeakPolarHBondContact O-CB 3.25Å; K58-N62 PolarHBondContact O-N 3.29Å; K58-N62 PolarHBondContact O-ND2 2.99Å; L59-N62 PolarHBondContact O-N 2.86Å; Q60-N62 VanDerWaalsContact C-N 3.28Å; Q60-N62 PolarHBondContact O-N 3.02Å; N62-N65 PolarHBondContact O-N 3.25Å; N62-S66 VanDerWaalsContact O-CB 3.31Å; N62-S66 WeakPolarHBondContact O-CB 3.45Å; N62-S66 PolarHBondContact O-N 3.31Å; N62-S66 PolarHBondContact O-OG 3.1Å |
| 63 | A | 95.7 | Very high | 95.1 | Very high | 56 Ų | 56 | 89.9 Ų | 89.9 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L59 Q60 S66 S67 | L59-A63 VanDerWaalsContact O-CB 3.32Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.32Å; Q60-A63 PolarHBondContact O-N 3.02Å; Q60-A63 VanDerWaalsContact O-N 3.16Å; A63-S66 PolarHBondContact O-N 3.21Å; A63-S67 WeakPolarHBondContact O-CB 3.22Å; A63-S67 PolarHBondContact O-N 3.44Å |
| 64 | E | 96 | Very high | 95.3 | Very high | 86 Ų | 86 | 88.6 Ų | 88.6 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 173.7 | -74.1 | 177.2 | -162.9 | 0 | 0 | 111.6 | Q60 V61 S67 K68 | Q60-E64 PolarHBondContact NE2-OE1 3.26Å; Q60-E64 WeakPolarHBondContact O-CG 3.37Å; Q60-E64 PolarHBondContact O-N 3.21Å; V61-E64 PolarHBondContact O-N 2.89Å; E64-S67 PolarHBondContact O-N 2.85Å; E64-K68 VanDerWaalsContact O-CG 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.49Å; E64-K68 PolarHBondContact O-N 3.18Å |
| 65 | N | 95.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 92 Ų | 92 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.9 | -72.1 | -20.4 | 0 | 0 | 0 | 111.8 | V61 N62 K68 L69 | V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 PolarHBondContact O-N 3.11Å; V61-N65 PolarHBondContact O-ND2 2.75Å; N62-N65 PolarHBondContact O-N 3.25Å; N65-K68 PolarHBondContact O-N 3.31Å; N65-L69 WeakPolarHBondContact O-CB 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.19Å; N65-L69 PolarHBondContact O-N 3.39Å |
| 66 | S | 95 | Very high | 95.6 | Very high | 64 Ų | 64 | 93.5 Ų | 93.5 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 177.4 | -59 | 0 | 0 | 0 | 0 | 111.2 | N62 A63 K68 L69 V70 | N62-S66 VanDerWaalsContact O-CB 3.31Å; N62-S66 WeakPolarHBondContact O-CB 3.45Å; N62-S66 PolarHBondContact O-N 3.31Å; N62-S66 PolarHBondContact O-OG 3.1Å; A63-S66 PolarHBondContact O-N 3.21Å; S66-K68 PolarHBondContact O-N 2.86Å; S66-L69 PolarHBondContact O-N 3.1Å; S66-V70 WeakPolarHBondContact O-CB 3.4Å; S66-V70 VanDerWaalsContact O-CG2 3.28Å; S66-V70 WeakPolarHBondContact O-CG2 3.4Å; S66-V70 PolarHBondContact O-N 3.2Å |
| 67 | S | 96.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 89.9 Ų | 89.9 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -44.6 | 174 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | A63 E64 V70 G71 | A63-S67 WeakPolarHBondContact O-CB 3.22Å; A63-S67 PolarHBondContact O-N 3.44Å; E64-S67 PolarHBondContact O-N 2.85Å; S67-V70 PolarHBondContact O-N 3.17Å; S67-G71 PolarHBondContact O-N 2.89Å |
| 68 | K | 96 | Very high | 95.9 | Very high | 130 Ų | 130 | 90 Ų | 90 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | 174.1 | -71.6 | 169.5 | -173.5 | 168.1 | 0 | 111.8 | E64 N65 S66 G71 C72 | E64-K68 VanDerWaalsContact O-CG 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.49Å; E64-K68 PolarHBondContact O-N 3.18Å; N65-K68 PolarHBondContact O-N 3.31Å; S66-K68 PolarHBondContact O-N 2.86Å; K68-G71 PolarHBondContact O-N 3.33Å; K68-C72 PolarHBondContact O-N 3.42Å; K68-C72 PolarHBondContact O-SG 3.19Å; K68-C72 VanDerWaalsContact O-SG 3.37Å |
| 69 | L | 96.4 | Very high | 96 | Very high | 123 Ų | 123 | 89.9 Ų | 89.9 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 177.7 | -77.3 | 166.3 | 0 | 0 | 0 | 111.9 | N65 S66 G71 C72 A73 | N65-L69 WeakPolarHBondContact O-CB 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.19Å; N65-L69 PolarHBondContact O-N 3.39Å; S66-L69 PolarHBondContact O-N 3.1Å; L69-G71 VanDerWaalsContact C-N 3.34Å; L69-G71 PolarHBondContact O-N 3.1Å; L69-C72 PolarHBondContact O-N 3.33Å; L69-A73 WeakPolarHBondContact O-CB 3.28Å; L69-A73 PolarHBondContact O-N 3.33Å |
| 70 | V | 96.7 | Very high | 96.1 | Very high | 100 Ų | 100 | 89.8 Ų | 89.8 | 61% | 0.606 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | S66 S67 A73 S74 | S66-V70 WeakPolarHBondContact O-CB 3.4Å; S66-V70 VanDerWaalsContact O-CG2 3.28Å; S66-V70 WeakPolarHBondContact O-CG2 3.4Å; S66-V70 PolarHBondContact O-N 3.2Å; S67-V70 PolarHBondContact O-N 3.17Å; V70-A73 PolarHBondContact O-N 3.07Å; V70-S74 VanDerWaalsContact O-CB 3.31Å; V70-S74 WeakPolarHBondContact O-CB 3.28Å; V70-S74 PolarHBondContact O-N 3.49Å |
| 71 | G | 96.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 87.2 Ų | 87.2 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S67 K68 L69 S74 K75 | S67-G71 PolarHBondContact O-N 2.89Å; K68-G71 PolarHBondContact O-N 3.33Å; L69-G71 VanDerWaalsContact C-N 3.34Å; L69-G71 PolarHBondContact O-N 3.1Å; G71-S74 PolarHBondContact O-N 3.36Å; G71-K75 WeakPolarHBondContact O-CB 3.45Å; G71-K75 PolarHBondContact O-N 3.39Å |
| 72 | C | 96.1 | Very high | 96.2 | Very high | 89 Ų | 89 | 86 Ų | 86 | 60% | 0.601 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 174.6 | -72.9 | 0 | 0 | 0 | 0 | 112 | K68 L69 K75 L76 | K68-C72 PolarHBondContact O-N 3.42Å; K68-C72 PolarHBondContact O-SG 3.19Å; K68-C72 VanDerWaalsContact O-SG 3.37Å; L69-C72 PolarHBondContact O-N 3.33Å; C72-K75 PolarHBondContact O-N 3.23Å; C72-L76 WeakPolarHBondContact O-CB 3.46Å; C72-L76 PolarHBondContact O-N 2.94Å |
| 73 | A | 95.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 88.5 Ų | 88.5 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L69 V70 L76 A77 | L69-A73 WeakPolarHBondContact O-CB 3.28Å; L69-A73 PolarHBondContact O-N 3.33Å; V70-A73 PolarHBondContact O-N 3.07Å; A73-L76 PolarHBondContact O-N 3.24Å; A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 2.95Å |
| 74 | S | 96.5 | Very high | 96.4 | Very high | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | V70 G71 L76 A77 L78 | V70-S74 VanDerWaalsContact O-CB 3.31Å; V70-S74 WeakPolarHBondContact O-CB 3.28Å; V70-S74 PolarHBondContact O-N 3.49Å; G71-S74 PolarHBondContact O-N 3.36Å; S74-L76 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 3.26Å; S74-A77 PolarHBondContact O-N 3.28Å; S74-L78 WeakPolarHBondContact O-CG 3.45Å; S74-L78 PolarHBondContact O-N 3.46Å |
| 75 | K | 96.4 | Very high | 96.4 | Very high | 141 Ų | 141 | 90.9 Ų | 90.9 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 177.4 | -171.4 | 174.2 | -177.9 | 177.5 | 0 | 111.9 | G71 C72 L78 Q79 | G71-K75 WeakPolarHBondContact O-CB 3.45Å; G71-K75 PolarHBondContact O-N 3.39Å; C72-K75 PolarHBondContact O-N 3.23Å; K75-L78 PolarHBondContact O-N 3.5Å; K75-Q79 WeakPolarHBondContact O-CG 3.5Å; K75-Q79 PolarHBondContact O-N 3.28Å |
| 76 | L | 96.6 | Very high | 96.4 | Very high | 116 Ų | 116 | 94 Ų | 94 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 176.5 | -168.5 | 116.1 | 0 | 0 | 0 | 111.6 | C72 A73 S74 Q79 L80 | C72-L76 WeakPolarHBondContact O-CB 3.46Å; C72-L76 PolarHBondContact O-N 2.94Å; A73-L76 PolarHBondContact O-N 3.24Å; S74-L76 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 3.26Å; L76-Q79 PolarHBondContact O-N 2.99Å; L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 PolarHBondContact O-N 3.46Å |
| 77 | A | 96.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 96.4 Ų | 96.4 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A73 S74 L80 S81 | A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 2.95Å; S74-A77 PolarHBondContact O-N 3.28Å; A77-L80 PolarHBondContact O-N 2.96Å; A77-S81 WeakPolarHBondContact O-CB 3.38Å; A77-S81 PolarHBondContact O-N 3.3Å |
| 78 | L | 96.2 | Very high | 96.6 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 175.2 | -71.7 | 173 | 0 | 0 | 0 | 112.1 | S74 K75 L80 S81 G82 | S74-L78 WeakPolarHBondContact O-CG 3.45Å; S74-L78 PolarHBondContact O-N 3.46Å; K75-L78 PolarHBondContact O-N 3.5Å; L78-L80 VanDerWaalsContact C-N 3.33Å; L78-L80 PolarHBondContact O-N 3.35Å; L78-S81 PolarHBondContact O-N 3.24Å; L78-G82 PolarHBondContact O-N 3.41Å |
| 79 | Q | 96.8 | Very high | 96.6 | Very high | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -38.6 | 175.1 | -74.2 | -175.6 | -43.9 | 0 | 0 | 112.2 | K75 L76 K83 | K75-Q79 WeakPolarHBondContact O-CG 3.5Å; K75-Q79 PolarHBondContact O-N 3.28Å; L76-Q79 PolarHBondContact O-N 2.99Å; Q79-K83 WeakPolarHBondContact O-CG 3.45Å; Q79-K83 PolarHBondContact O-N 3.39Å; Q79-K83 VanDerWaalsContact O-N 3.08Å |
| 80 | L | 96.5 | Very high | 96.7 | Very high | 106 Ų | 106 | 93.8 Ų | 93.8 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -45.9 | 175.7 | -176.8 | 61.5 | 0 | 0 | 0 | 110.8 | L76 A77 L78 G82 K83 V84 | L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 PolarHBondContact O-N 3.46Å; A77-L80 PolarHBondContact O-N 2.96Å; L78-L80 VanDerWaalsContact C-N 3.33Å; L78-L80 PolarHBondContact O-N 3.35Å; L80-G82 PolarHBondContact O-N 3.25Å; L80-K83 PolarHBondContact O-N 2.96Å; L80-V84 HydrophobicContact CD1-CG2 4.43Å; L80-V84 WeakPolarHBondContact O-CG2 3.32Å; L80-V84 PolarHBondContact O-N 3.48Å |
| 81 | S | 96.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 94.6 Ų | 94.6 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 176 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | A77 L78 K83 V84 E85 | A77-S81 WeakPolarHBondContact O-CB 3.38Å; A77-S81 PolarHBondContact O-N 3.3Å; L78-S81 PolarHBondContact O-N 3.24Å; S81-K83 VanDerWaalsContact C-N 3.3Å; S81-K83 PolarHBondContact O-N 3.19Å; S81-V84 PolarHBondContact O-N 3.46Å; S81-V84 VanDerWaalsContact O-N 3.1Å; S81-E85 WeakPolarHBondContact O-CG 3.49Å; S81-E85 PolarHBondContact O-N 2.82Å |
| 82 | G | 96.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 96.7 Ų | 96.7 | 27% | 0.268 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L78 L80 Q86 | L78-G82 PolarHBondContact O-N 3.41Å; L80-G82 PolarHBondContact O-N 3.25Å; G82-Q86 WeakPolarHBondContact O-CG 3.41Å; G82-Q86 PolarHBondContact O-N 3.29Å; G82-Q86 VanDerWaalsContact O-N 3.11Å |
| 83 | K | 97 | Very high | 96.7 | Very high | 148 Ų | 148 | 97 Ų | 97 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.1 | -37.7 | 174.2 | -76.7 | -178.1 | 172.2 | -174.4 | 0 | 112.5 | Q79 L80 S81 Q86 L87 | Q79-K83 WeakPolarHBondContact O-CG 3.45Å; Q79-K83 PolarHBondContact O-N 3.39Å; Q79-K83 VanDerWaalsContact O-N 3.08Å; L80-K83 PolarHBondContact O-N 2.96Å; S81-K83 VanDerWaalsContact C-N 3.3Å; S81-K83 PolarHBondContact O-N 3.19Å; K83-Q86 PolarHBondContact O-N 2.98Å; K83-L87 WeakPolarHBondContact O-CB 3.2Å; K83-L87 PolarHBondContact O-N 3.09Å |
| 84 | V | 97.4 | Very high | 96.8 | Very high | 67 Ų | 67 | 98.1 Ų | 98.1 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 176 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L80 S81 Q86 L87 D88 | L80-V84 HydrophobicContact CD1-CG2 4.43Å; L80-V84 WeakPolarHBondContact O-CG2 3.32Å; L80-V84 PolarHBondContact O-N 3.48Å; S81-V84 PolarHBondContact O-N 3.46Å; S81-V84 VanDerWaalsContact O-N 3.1Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; V84-Q86 PolarHBondContact O-N 2.9Å; V84-L87 WeakPolarHBondContact O-CB 3.37Å; V84-L87 PolarHBondContact O-N 2.91Å; V84-L87 VanDerWaalsContact O-N 3.14Å; V84-D88 PolarHBondContact O-N 3.2Å |
| 85 | E | 96.6 | Very high | 96.8 | Very high | 125 Ų | 125 | 99 Ų | 99 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -42.6 | 175.9 | -73.7 | 170.6 | -158.3 | 0 | 0 | 112.3 | S81 D88 F89 | S81-E85 WeakPolarHBondContact O-CG 3.49Å; S81-E85 PolarHBondContact O-N 2.82Å; E85-D88 PolarHBondContact O-N 3.15Å; E85-F89 WeakPolarHBondContact O-CB 3.35Å; E85-F89 PolarHBondContact O-N 2.91Å |
| 86 | Q | 96.4 | Very high | 96.6 | Very high | 137 Ų | 137 | 98.4 Ų | 98.4 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 174.4 | -73.5 | 175.8 | 5.8 | 0 | 0 | 112 | G82 K83 V84 F89 V90 | G82-Q86 WeakPolarHBondContact O-CG 3.41Å; G82-Q86 PolarHBondContact O-N 3.29Å; G82-Q86 VanDerWaalsContact O-N 3.11Å; K83-Q86 PolarHBondContact O-N 2.98Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; V84-Q86 PolarHBondContact O-N 2.9Å; Q86-F89 PolarHBondContact O-N 3.03Å; Q86-V90 WeakPolarHBondContact O-CG2 3.48Å; Q86-V90 PolarHBondContact O-N 3.46Å |
| 87 | L | 97.1 | Very high | 96.5 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 176.4 | 179.8 | 63 | 0 | 0 | 0 | 111.4 | K83 V84 F89 V90 K91 | K83-L87 WeakPolarHBondContact O-CB 3.2Å; K83-L87 PolarHBondContact O-N 3.09Å; V84-L87 WeakPolarHBondContact O-CB 3.37Å; V84-L87 PolarHBondContact O-N 2.91Å; V84-L87 VanDerWaalsContact O-N 3.14Å; L87-F89 VanDerWaalsContact C-N 3.34Å; L87-F89 PolarHBondContact O-N 2.93Å; L87-V90 PolarHBondContact O-N 3.05Å; L87-K91 VanDerWaalsContact O-CB 3.31Å; L87-K91 WeakPolarHBondContact O-CB 3.46Å; L87-K91 PolarHBondContact O-N 2.96Å |
| 88 | D | 97.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 97.8 Ų | 97.8 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 177.4 | -78.7 | -26.9 | 0 | 0 | 0 | 111.8 | V84 E85 K91 N92 | V84-D88 PolarHBondContact O-N 3.2Å; E85-D88 PolarHBondContact O-N 3.15Å; D88-K91 PolarHBondContact O-N 3.35Å; D88-N92 WeakPolarHBondContact O-CB 3.49Å; D88-N92 VanDerWaalsContact O-CG 3.22Å; D88-N92 PolarHBondContact O-N 3.47Å; D88-N92 PolarHBondContact O-ND2 3.38Å |
| 89 | F | 97.4 | Very high | 96.3 | Very high | 126 Ų | 126 | 96.3 Ų | 96.3 | 55% | 0.553 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -50.2 | 172.6 | 177.1 | -95.1 | 0 | 0 | 0 | 111.6 | E85 Q86 L87 K91 N92 H93 | E85-F89 WeakPolarHBondContact O-CB 3.35Å; E85-F89 PolarHBondContact O-N 2.91Å; Q86-F89 PolarHBondContact O-N 3.03Å; L87-F89 VanDerWaalsContact C-N 3.34Å; L87-F89 PolarHBondContact O-N 2.93Å; F89-K91 PolarHBondContact O-N 2.79Å; F89-N92 PolarHBondContact O-N 3.2Å; F89-H93 AromaticContact CE1-CD2 3.82Å; F89-H93 AromaticContact CE2-CD2 3.65Å; F89-H93 AromaticContact CE2-NE2 3.48Å; F89-H93 WeakPolarHBondContact CE2-NE2 3.47Å; F89-H93 AromaticContact CZ-CD2 3.48Å; F89-H93 VanDerWaalsContact CZ-CD2 3.48Å; F89-H93 WeakPolarHBondContact CZ-CD2 3.42Å; F89-H93 AromaticContact CZ-NE2 3.26Å; F89-H93 VanDerWaalsContact CZ-NE2 3.26Å; F89-H93 WeakPolarHBondContact CZ-NE2 3.24Å; F89-H93 PolarHBondContact O-CD2 3.32Å; F89-H93 PolarHBondContact O-N 3.27Å |
| 90 | V | 96.9 | Very high | 96.2 | Very high | 84 Ų | 84 | 95.6 Ų | 95.6 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | Q86 L87 N92 H93 V94 | Q86-V90 WeakPolarHBondContact O-CG2 3.48Å; Q86-V90 PolarHBondContact O-N 3.46Å; L87-V90 PolarHBondContact O-N 3.05Å; V90-N92 PolarHBondContact O-N 3.38Å; V90-H93 PolarHBondContact O-N 3.24Å; V90-V94 HydrophobicContact CG1-CG2 4.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.38Å; V90-V94 PolarHBondContact O-N 3.33Å |
| 91 | K | 97.2 | Very high | 96 | Very high | 117 Ų | 117 | 95.1 Ų | 95.1 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58 | -48.7 | 177.5 | 178.5 | -176.8 | 172.6 | -172.9 | 0 | 111.5 | L87 D88 F89 H93 V94 L95 | L87-K91 VanDerWaalsContact O-CB 3.31Å; L87-K91 WeakPolarHBondContact O-CB 3.46Å; L87-K91 PolarHBondContact O-N 2.96Å; D88-K91 PolarHBondContact O-N 3.35Å; F89-K91 PolarHBondContact O-N 2.79Å; K91-H93 VanDerWaalsContact C-N 3.3Å; K91-H93 PolarHBondContact O-N 2.97Å; K91-V94 PolarHBondContact O-N 2.98Å; K91-L95 HydrophobicContact CG-CD1 4.16Å; K91-L95 HydrophobicContact CG-CG 4.49Å; K91-L95 WeakPolarHBondContact O-CG 3.32Å; K91-L95 PolarHBondContact O-N 3.49Å |
| 92 | N | 96.9 | Very high | 95.9 | Very high | 86 Ų | 86 | 95.6 Ų | 95.6 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 178.9 | -74 | -26.2 | 0 | 0 | 0 | 112 | D88 F89 V90 K96 | D88-N92 WeakPolarHBondContact O-CB 3.49Å; D88-N92 VanDerWaalsContact O-CG 3.22Å; D88-N92 PolarHBondContact O-N 3.47Å; D88-N92 PolarHBondContact O-ND2 3.38Å; F89-N92 PolarHBondContact O-N 3.2Å; V90-N92 PolarHBondContact O-N 3.38Å; N92-K96 WeakPolarHBondContact O-CG 3.17Å; N92-K96 PolarHBondContact O-N 3.24Å; N92-K96 VanDerWaalsContact O-N 3.1Å |
| 93 | H | 95.6 | Very high | 95.8 | Very high | 95 Ų | 95 | 98 Ų | 98 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 172.7 | -94.8 | -99.7 | 0 | 0 | 0 | 112.4 | F89 V90 K91 K96 C97 | F89-H93 AromaticContact CE1-CD2 3.82Å; F89-H93 AromaticContact CE2-CD2 3.65Å; F89-H93 AromaticContact CE2-NE2 3.48Å; F89-H93 WeakPolarHBondContact CE2-NE2 3.47Å; F89-H93 AromaticContact CZ-CD2 3.48Å; F89-H93 VanDerWaalsContact CZ-CD2 3.48Å; F89-H93 WeakPolarHBondContact CZ-CD2 3.42Å; F89-H93 AromaticContact CZ-NE2 3.26Å; F89-H93 VanDerWaalsContact CZ-NE2 3.26Å; F89-H93 WeakPolarHBondContact CZ-NE2 3.24Å; F89-H93 PolarHBondContact O-CD2 3.32Å; F89-H93 PolarHBondContact O-N 3.27Å; V90-H93 PolarHBondContact O-N 3.24Å; K91-H93 VanDerWaalsContact C-N 3.3Å; K91-H93 PolarHBondContact O-N 2.97Å; H93-K96 PolarHBondContact O-N 3.06Å; H93-C97 PolarHBondContact O-N 2.78Å; H93-C97 PolarHBondContact O-SG 3.31Å; H93-C97 VanDerWaalsContact O-SG 3.37Å |
| 94 | V | 97.4 | Very high | 95.5 | Very high | 82 Ų | 82 | 92.5 Ų | 92.5 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 177 | 171 | 0 | 0 | 0 | 0 | 110.7 | V90 K91 K96 C97 V98 | V90-V94 HydrophobicContact CG1-CG2 4.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.38Å; V90-V94 PolarHBondContact O-N 3.33Å; K91-V94 PolarHBondContact O-N 2.98Å; V94-K96 PolarHBondContact O-N 3.49Å; V94-C97 WeakPolarHBondContact O-CB 3.29Å; V94-C97 PolarHBondContact O-N 2.89Å; V94-C97 VanDerWaalsContact O-N 3.11Å; V94-V98 HydrophobicContact CG1-CG2 4.31Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.28Å; V94-V98 PolarHBondContact O-N 2.88Å |
| 95 | L | 97.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 93.2 Ų | 93.2 | 43% | 0.429 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 177.5 | -71.3 | 174 | 0 | 0 | 0 | 111.6 | K91 C97 V98 D99 | K91-L95 HydrophobicContact CG-CD1 4.16Å; K91-L95 HydrophobicContact CG-CG 4.49Å; K91-L95 WeakPolarHBondContact O-CG 3.32Å; K91-L95 PolarHBondContact O-N 3.49Å; L95-C97 VanDerWaalsContact C-N 3.27Å; L95-C97 PolarHBondContact O-N 3.22Å; L95-V98 WeakPolarHBondContact O-CB 3.25Å; L95-V98 PolarHBondContact O-N 3.48Å; L95-V98 VanDerWaalsContact O-N 3.08Å; L95-D99 VanDerWaalsContact O-CG 3.31Å; L95-D99 PolarHBondContact O-N 3.49Å |
| 96 | K | 93.4 | Very high | 95.2 | Very high | 128 Ų | 128 | 90.2 Ų | 90.2 | 56% | 0.557 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.7 | -37.8 | 174.5 | -72.6 | 175 | -179.6 | -178.9 | 0 | 112.8 | N92 H93 V94 K100 | N92-K96 WeakPolarHBondContact O-CG 3.17Å; N92-K96 PolarHBondContact O-N 3.24Å; N92-K96 VanDerWaalsContact O-N 3.1Å; H93-K96 PolarHBondContact O-N 3.06Å; V94-K96 PolarHBondContact O-N 3.49Å; K96-K100 WeakPolarHBondContact O-CG 3.42Å; K96-K100 PolarHBondContact O-N 3.42Å |
| 97 | C | 93.2 | Very high | 95.1 | Very high | 82 Ų | 82 | 83.8 Ų | 83.8 | 55% | 0.554 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | 175.6 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | H93 V94 L95 K100 L101 | H93-C97 PolarHBondContact O-N 2.78Å; H93-C97 PolarHBondContact O-SG 3.31Å; H93-C97 VanDerWaalsContact O-SG 3.37Å; V94-C97 WeakPolarHBondContact O-CB 3.29Å; V94-C97 PolarHBondContact O-N 2.89Å; V94-C97 VanDerWaalsContact O-N 3.11Å; L95-C97 VanDerWaalsContact C-N 3.27Å; L95-C97 PolarHBondContact O-N 3.22Å; C97-K100 PolarHBondContact O-N 2.95Å; C97-L101 WeakPolarHBondContact O-CB 3.26Å; C97-L101 PolarHBondContact O-N 2.86Å |
| 98 | V | 95.9 | Very high | 94.9 | Very high | 79 Ų | 79 | 85.1 Ų | 85.1 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | V94 L95 L101 S102 | V94-V98 HydrophobicContact CG1-CG2 4.31Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.28Å; V94-V98 PolarHBondContact O-N 2.88Å; L95-V98 WeakPolarHBondContact O-CB 3.25Å; L95-V98 PolarHBondContact O-N 3.48Å; L95-V98 VanDerWaalsContact O-N 3.08Å; V98-L101 PolarHBondContact O-N 2.82Å; V98-S102 PolarHBondContact O-N 3.14Å |
| 99 | D | 93.7 | Very high | 94.7 | Very high | 91 Ų | 91 | 86 Ų | 86 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 176.9 | -65.5 | -24.4 | 0 | 0 | 0 | 111 | L95 L101 S102 H103 | L95-D99 VanDerWaalsContact O-CG 3.31Å; L95-D99 PolarHBondContact O-N 3.49Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.26Å; D99-S102 VanDerWaalsContact O-CB 3.32Å; D99-S102 WeakPolarHBondContact O-CB 3.36Å; D99-S102 PolarHBondContact O-N 3.34Å; D99-S102 VanDerWaalsContact O-N 3.16Å; D99-H103 PolarHBondContact O-CD2 3.28Å; D99-H103 PolarHBondContact O-N 2.78Å |
| 100 | K | 93.2 | Very high | 94.6 | Very high | 103 Ų | 103 | 80.2 Ų | 80.2 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 175 | -74 | 179.7 | -179.6 | -167.5 | 0 | 112.3 | K96 C97 S102 H103 I104 L143 | K96-K100 WeakPolarHBondContact O-CG 3.42Å; K96-K100 PolarHBondContact O-N 3.42Å; C97-K100 PolarHBondContact O-N 2.95Å; K100-S102 VanDerWaalsContact C-N 3.34Å; K100-H103 PolarHBondContact O-N 2.84Å; K100-I104 VanDerWaalsContact O-CG1 3.28Å; K100-I104 WeakPolarHBondContact O-CG1 3.38Å; K100-I104 PolarHBondContact O-N 3.14Å; K100-L143 HydrophobicContact CB-CD2 4.33Å; K100-L143 HydrophobicContact CD-CD2 4.25Å |
| 101 | L | 93.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 76.5 Ų | 76.5 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 177 | -178.9 | 62.4 | 0 | 0 | 0 | 111.5 | C97 V98 D99 H103 I104 I105 | C97-L101 WeakPolarHBondContact O-CB 3.26Å; C97-L101 PolarHBondContact O-N 2.86Å; V98-L101 PolarHBondContact O-N 2.82Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.26Å; L101-H103 VanDerWaalsContact C-N 3.34Å; L101-H103 PolarHBondContact O-N 3.11Å; L101-I104 PolarHBondContact O-N 2.95Å; L101-I105 HydrophobicContact CD1-CD1 4.34Å; L101-I105 HydrophobicContact CD1-CG1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 2.99Å |
| 102 | S | 94.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 76 Ų | 76 | 47% | 0.469 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | V98 D99 K100 I104 I105 T106 | V98-S102 PolarHBondContact O-N 3.14Å; D99-S102 VanDerWaalsContact O-CB 3.32Å; D99-S102 WeakPolarHBondContact O-CB 3.36Å; D99-S102 PolarHBondContact O-N 3.34Å; D99-S102 VanDerWaalsContact O-N 3.16Å; K100-S102 VanDerWaalsContact C-N 3.34Å; S102-I104 PolarHBondContact O-N 3.36Å; S102-I105 PolarHBondContact O-N 3.39Å; S102-T106 PolarHBondContact O-N 3.43Å; S102-T106 PolarHBondContact O-OG1 2.9Å; S102-T106 VanDerWaalsContact O-OG1 3.1Å |
| 103 | H | 93.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 72.2 Ų | 72.2 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176 | -64.7 | -66.1 | 0 | 0 | 0 | 113.1 | D99 K100 L101 I105 T106 V107 M136 I140 | D99-H103 PolarHBondContact O-CD2 3.28Å; D99-H103 PolarHBondContact O-N 2.78Å; K100-H103 PolarHBondContact O-N 2.84Å; L101-H103 VanDerWaalsContact C-N 3.34Å; L101-H103 PolarHBondContact O-N 3.11Å; H103-I105 VanDerWaalsContact C-N 3.32Å; H103-I105 PolarHBondContact O-N 2.89Å; H103-T106 WeakPolarHBondContact O-CB 3.36Å; H103-T106 PolarHBondContact O-N 3.42Å; H103-V107 PolarHBondContact O-N 3.3Å; H103-M136 HydrophobicContact CB-SD 4.45Å; H103-I140 HydrophobicContact CB-CD1 3.67Å; H103-I140 HydrophobicContact CB-CG1 4.42Å; H103-I140 HydrophobicContact CB-CG2 3.85Å |
| 104 | I | 91.4 | Very high | 94.2 | Very high | 32 Ų | 32 | 67.7 Ų | 67.7 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.5 | -66.5 | 162.9 | 0 | 0 | 0 | 111 | K100 L101 S102 T106 V107 R108 I140 L143 I144 L147 | K100-I104 VanDerWaalsContact O-CG1 3.28Å; K100-I104 WeakPolarHBondContact O-CG1 3.38Å; K100-I104 PolarHBondContact O-N 3.14Å; L101-I104 PolarHBondContact O-N 2.95Å; S102-I104 PolarHBondContact O-N 3.36Å; I104-T106 VanDerWaalsContact C-N 3.32Å; I104-V107 PolarHBondContact O-N 3.28Å; I104-R108 PolarHBondContact O-N 3.12Å; I104-I140 HydrophobicContact CG1-CG2 4.48Å; I104-L143 HydrophobicContact CD1-CD2 3.78Å; I104-L143 HydrophobicContact CD1-CG 4.24Å; I104-I144 HydrophobicContact CB-CG1 4.37Å; I104-I144 HydrophobicContact CG1-CD1 4.22Å; I104-I144 HydrophobicContact CG1-CG1 3.75Å; I104-I144 HydrophobicContact CG2-CG1 4.28Å; I104-L147 HydrophobicContact CD1-CD1 3.65Å |
| 105 | I | 93.2 | Very high | 94.1 | Very high | 82 Ų | 82 | 69 Ų | 69 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.4 | -69.8 | 166.5 | 0 | 0 | 0 | 110 | L101 S102 H103 V107 R108 N109 | L101-I105 HydrophobicContact CD1-CD1 4.34Å; L101-I105 HydrophobicContact CD1-CG1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 2.99Å; S102-I105 PolarHBondContact O-N 3.39Å; H103-I105 VanDerWaalsContact C-N 3.32Å; H103-I105 PolarHBondContact O-N 2.89Å; I105-V107 PolarHBondContact O-N 3.46Å; I105-R108 PolarHBondContact O-N 3.38Å; I105-N109 WeakPolarHBondContact O-CB 3.42Å; I105-N109 VanDerWaalsContact O-CG 3.27Å; I105-N109 PolarHBondContact O-N 2.99Å |
| 106 | T | 94.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 73.8 Ų | 73.8 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 176 | -62 | 0 | 0 | 0 | 0 | 111.5 | S102 H103 I104 R108 N109 S110 | S102-T106 PolarHBondContact O-N 3.43Å; S102-T106 PolarHBondContact O-OG1 2.9Å; S102-T106 VanDerWaalsContact O-OG1 3.1Å; H103-T106 WeakPolarHBondContact O-CB 3.36Å; H103-T106 PolarHBondContact O-N 3.42Å; I104-T106 VanDerWaalsContact C-N 3.32Å; T106-R108 VanDerWaalsContact C-N 3.33Å; T106-R108 PolarHBondContact O-N 3.34Å; T106-N109 PolarHBondContact O-N 2.75Å; T106-S110 WeakPolarHBondContact O-CB 3.33Å; T106-S110 PolarHBondContact O-N 3.25Å; T106-S110 PolarHBondContact O-OG 3.39Å; T106-S110 VanDerWaalsContact O-OG 3.12Å |
| 107 | V | 93.4 | Very high | 94 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 176.2 | -180 | 0 | 0 | 0 | 0 | 112.1 | H103 I104 I105 N109 S110 A111 M136 I144 P156 L157 L160 | H103-V107 PolarHBondContact O-N 3.3Å; I104-V107 PolarHBondContact O-N 3.28Å; I105-V107 PolarHBondContact O-N 3.46Å; V107-N109 VanDerWaalsContact C-N 3.29Å; V107-N109 PolarHBondContact O-N 2.89Å; V107-S110 PolarHBondContact O-N 3.34Å; V107-A111 WeakPolarHBondContact O-CB 3.49Å; V107-A111 PolarHBondContact O-N 3.4Å; V107-M136 HydrophobicContact CB-SD 4.49Å; V107-M136 HydrophobicContact CG2-CE 3.16Å; V107-M136 HydrophobicContact CG2-SD 3.01Å; V107-M136 WeakPolarHBondContact CG2-SD 3.44Å; V107-I144 HydrophobicContact CB-CD1 3.7Å; V107-I144 HydrophobicContact CG1-CD1 3.91Å; V107-I144 HydrophobicContact CG2-CD1 3.45Å; V107-I144 VanDerWaalsContact CG2-CD1 3.45Å; V107-P156 HydrophobicContact CG1-CB 4.12Å; V107-P156 HydrophobicContact CG1-CG 4.23Å; V107-L157 HydrophobicContact CG1-CD2 3.94Å; V107-L160 HydrophobicContact CG1-CD1 3.52Å |
| 108 | R | 92.3 | Very high | 93.9 | Very high | 142 Ų | 142 | 66.1 Ų | 66.1 | 54% | 0.536 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | -178.6 | -163.5 | 179.1 | -169.7 | 112.1 | 3.1 | 110.8 | I104 I105 T106 A111 I112 | I104-R108 PolarHBondContact O-N 3.12Å; I105-R108 PolarHBondContact O-N 3.38Å; T106-R108 VanDerWaalsContact C-N 3.33Å; T106-R108 PolarHBondContact O-N 3.34Å; R108-A111 PolarHBondContact O-N 2.92Å; R108-I112 HydrophobicContact CG-CD1 4.46Å; R108-I112 WeakPolarHBondContact O-CG1 3.33Å; R108-I112 PolarHBondContact O-N 3.24Å; R108-I112 VanDerWaalsContact O-N 3.07Å |
| 109 | N | 94.5 | Very high | 93.7 | Very high | 92 Ų | 92 | 68 Ų | 68 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 174.3 | -71 | -15.1 | 0 | 0 | 0 | 111.5 | I105 T106 V107 A111 I112 G113 | I105-N109 WeakPolarHBondContact O-CB 3.42Å; I105-N109 VanDerWaalsContact O-CG 3.27Å; I105-N109 PolarHBondContact O-N 2.99Å; T106-N109 PolarHBondContact O-N 2.75Å; V107-N109 VanDerWaalsContact C-N 3.29Å; V107-N109 PolarHBondContact O-N 2.89Å; N109-A111 VanDerWaalsContact C-N 3.35Å; N109-A111 PolarHBondContact O-N 3.41Å; N109-I112 PolarHBondContact O-N 3.43Å; N109-G113 PolarHBondContact O-N 2.89Å |
| 110 | S | 94.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.028 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 112 | T106 V107 G113 V114 T132 | T106-S110 WeakPolarHBondContact O-CB 3.33Å; T106-S110 PolarHBondContact O-N 3.25Å; T106-S110 PolarHBondContact O-OG 3.39Å; T106-S110 VanDerWaalsContact O-OG 3.12Å; V107-S110 PolarHBondContact O-N 3.34Å; S110-G113 PolarHBondContact O-N 3.09Å; S110-V114 WeakPolarHBondContact O-CB 3.48Å; S110-V114 WeakPolarHBondContact O-CG1 3.41Å; S110-V114 PolarHBondContact O-N 3.24Å; S110-T132 PolarHBondContact OG-OG1 3.34Å |
| 111 | A | 94.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V107 R108 N109 V114 K115 P156 T159 L160 | V107-A111 WeakPolarHBondContact O-CB 3.49Å; V107-A111 PolarHBondContact O-N 3.4Å; R108-A111 PolarHBondContact O-N 2.92Å; N109-A111 VanDerWaalsContact C-N 3.35Å; N109-A111 PolarHBondContact O-N 3.41Å; A111-V114 WeakPolarHBondContact O-CG1 3.43Å; A111-K115 PolarHBondContact O-N 2.78Å; A111-P156 HydrophobicContact CB-CB 3.57Å; A111-T159 HydrophobicContact CB-CG2 4Å; A111-L160 HydrophobicContact CB-CD1 4.09Å; A111-L160 HydrophobicContact CB-CG 3.94Å |
| 112 | I | 94.1 | Very high | 93 | Very high | 106 Ų | 106 | 66 Ų | 66 | 54% | 0.544 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.3 | -44.9 | 174.6 | -64.8 | 165 | 0 | 0 | 0 | 110.3 | R108 N109 K115 R116 | R108-I112 HydrophobicContact CG-CD1 4.46Å; R108-I112 WeakPolarHBondContact O-CG1 3.33Å; R108-I112 PolarHBondContact O-N 3.24Å; R108-I112 VanDerWaalsContact O-N 3.07Å; N109-I112 PolarHBondContact O-N 3.43Å; I112-K115 PolarHBondContact O-N 3.1Å; I112-R116 PolarHBondContact O-N 3.46Å; I112-R116 VanDerWaalsContact O-N 3.1Å |
| 113 | G | 94.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N109 S110 K115 R116 C117 Y129 | N109-G113 PolarHBondContact O-N 2.89Å; S110-G113 PolarHBondContact O-N 3.09Å; G113-K115 PolarHBondContact O-N 2.97Å; G113-R116 PolarHBondContact O-N 3.42Å; G113-C117 PolarHBondContact O-N 3.45Å; G113-C117 PolarHBondContact O-SG 2.95Å; G113-C117 VanDerWaalsContact O-SG 3.37Å; G113-Y129 VanDerWaalsContact C-CD2 3.48Å |
| 114 | V | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 179 | 76.2 | 0 | 0 | 0 | 0 | 111.1 | S110 A111 R116 C117 L118 A126 V130 L160 S163 L167 | S110-V114 WeakPolarHBondContact O-CB 3.48Å; S110-V114 WeakPolarHBondContact O-CG1 3.41Å; S110-V114 PolarHBondContact O-N 3.24Å; A111-V114 WeakPolarHBondContact O-CG1 3.43Å; V114-R116 VanDerWaalsContact C-N 3.32Å; V114-R116 PolarHBondContact O-N 3.47Å; V114-C117 PolarHBondContact O-N 3.18Å; V114-L118 WeakPolarHBondContact O-CB 3.21Å; V114-L118 PolarHBondContact O-N 3.39Å; V114-A126 HydrophobicContact CG2-CB 4.18Å; V114-V130 HydrophobicContact CG2-CG2 4Å; V114-L160 HydrophobicContact CB-CD2 4.44Å; V114-L160 HydrophobicContact CG1-CD2 3.96Å; V114-S163 WeakPolarHBondContact CG1-OG 3.25Å; V114-L167 HydrophobicContact CG2-CD1 3.83Å |
| 115 | K | 93.5 | Very high | 93 | Very high | 110 Ų | 110 | 65.2 Ų | 65.2 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 176.5 | -87 | 178 | 161.8 | 156.8 | 0 | 111.5 | A111 I112 G113 L118 V119 T159 | A111-K115 PolarHBondContact O-N 2.78Å; I112-K115 PolarHBondContact O-N 3.1Å; G113-K115 PolarHBondContact O-N 2.97Å; K115-L118 WeakPolarHBondContact O-CB 3.25Å; K115-L118 PolarHBondContact O-N 3.21Å; K115-V119 PolarHBondContact O-N 2.79Å; K115-T159 HydrophobicContact CD-CG2 3.59Å; K115-T159 HydrophobicContact CG-CG2 3.87Å; K115-T159 PolarHBondContact NZ-OG1 3.47Å |
| 116 | R | 94.7 | Very high | 93.2 | Very high | 182 Ų | 182 | 61.3 Ų | 61.3 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65 | -48.7 | 177.1 | -176.2 | 179.6 | 178.7 | 171.6 | 2 | 112 | I112 G113 V114 L118 V119 D120 | I112-R116 PolarHBondContact O-N 3.46Å; I112-R116 VanDerWaalsContact O-N 3.1Å; G113-R116 PolarHBondContact O-N 3.42Å; V114-R116 VanDerWaalsContact C-N 3.32Å; V114-R116 PolarHBondContact O-N 3.47Å; R116-L118 PolarHBondContact O-N 2.92Å; R116-V119 WeakPolarHBondContact O-CB 3.12Å; R116-V119 PolarHBondContact O-N 2.93Å; R116-V119 VanDerWaalsContact O-N 3.14Å; R116-D120 PolarHBondContact O-N 3.32Å; R116-D120 VanDerWaalsContact O-N 3.12Å |
| 117 | C | 93.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -27.9 | 179.9 | -67 | 0 | 0 | 0 | 0 | 112.5 | G113 V114 D120 S121 K122 E125 A126 | G113-C117 PolarHBondContact O-N 3.45Å; G113-C117 PolarHBondContact O-SG 2.95Å; G113-C117 VanDerWaalsContact O-SG 3.37Å; V114-C117 PolarHBondContact O-N 3.18Å; C117-D120 CarbonylContact O-C 3.54Å; C117-D120 PolarHBondContact O-N 2.78Å; C117-S121 PolarHBondContact O-N 3.24Å; C117-K122 HydrophobicContact CB-CB 4.38Å; C117-K122 PolarHBondContact O-N 3.32Å; C117-E125 HydrophobicContact CB-CB 4.44Å; C117-A126 HydrophobicContact CB-CB 3.72Å |
| 118 | L | 92.6 | Very high | 93.3 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 173.6 | -140.9 | 109.8 | 0 | 0 | 0 | 111.4 | V114 K115 R116 S121 I166 L167 | V114-L118 WeakPolarHBondContact O-CB 3.21Å; V114-L118 PolarHBondContact O-N 3.39Å; K115-L118 WeakPolarHBondContact O-CB 3.25Å; K115-L118 PolarHBondContact O-N 3.21Å; R116-L118 PolarHBondContact O-N 2.92Å; L118-S121 PolarHBondContact O-N 3.2Å; L118-I166 HydrophobicContact CD1-CG2 4.38Å; L118-I166 HydrophobicContact CD2-CD1 4.4Å; L118-I166 HydrophobicContact CD2-CG2 3.96Å; L118-L167 HydrophobicContact CD1-CD1 4.36Å; L118-L167 HydrophobicContact CD1-CD2 3.89Å; L118-L167 HydrophobicContact CD1-CG 3.8Å |
| 119 | V | 91.2 | Very high | 93.5 | Very high | 119 Ų | 119 | 56.7 Ų | 56.7 | 72% | 0.721 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 175.2 | 177 | 0 | 0 | 0 | 0 | 110.7 | K115 R116 S121 | K115-V119 PolarHBondContact O-N 2.79Å; R116-V119 WeakPolarHBondContact O-CB 3.12Å; R116-V119 PolarHBondContact O-N 2.93Å; R116-V119 VanDerWaalsContact O-N 3.14Å; V119-S121 PolarHBondContact O-N 2.89Å |
| 120 | D | 89.6 | Confident | 93.5 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 0.7 | 179.1 | -64 | -20.6 | 0 | 0 | 0 | 113 | R116 C117 K122 | R116-D120 PolarHBondContact O-N 3.32Å; R116-D120 VanDerWaalsContact O-N 3.12Å; C117-D120 CarbonylContact O-C 3.54Å; C117-D120 PolarHBondContact O-N 2.78Å; D120-K122 HydrophobicContact CB-CD 4.45Å; D120-K122 HydrophobicContact CB-CG 4.01Å; D120-K122 PolarHBondContact O-N 2.9Å; D120-K122 VanDerWaalsContact O-N 3.16Å |
| 121 | S | 85.4 | Confident | 93.5 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 26.3 | -177.7 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | C117 L118 V119 L123 | C117-S121 PolarHBondContact O-N 3.24Å; L118-S121 PolarHBondContact O-N 3.2Å; V119-S121 PolarHBondContact O-N 2.89Å; S121-L123 PolarHBondContact O-N 3.46Å |
| 122 | K | 91.6 | Very high | 93.4 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 39% | 0.391 | 29% | 0.288 | S | S | . | . | trans | -89 | 90.5 | 179.9 | -64.9 | -168.7 | -176.2 | -178.1 | 0 | 111.3 | C117 D120 D124 E125 A126 | C117-K122 HydrophobicContact CB-CB 4.38Å; C117-K122 PolarHBondContact O-N 3.32Å; D120-K122 HydrophobicContact CB-CD 4.45Å; D120-K122 HydrophobicContact CB-CG 4.01Å; D120-K122 PolarHBondContact O-N 2.9Å; D120-K122 VanDerWaalsContact O-N 3.16Å; K122-D124 PolarHBondContact O-N 2.94Å; K122-E125 HydrophobicContact CB-CB 4.42Å; K122-E125 VanDerWaalsContact CD-CD 3.41Å; K122-E125 HydrophobicContact CD-CG 4.4Å; K122-E125 VanDerWaalsContact CD-OE1 3.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.48Å; K122-E125 VanDerWaalsContact CD-OE2 3.23Å; K122-E125 WeakPolarHBondContact CD-OE2 3.47Å; K122-E125 IonicContact NZ-OE1 3.47Å; K122-E125 PolarHBondContact NZ-OE1 3.45Å; K122-E125 IonicContact NZ-OE2 2.78Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.09Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.27Å; K122-A126 PolarHBondContact O-N 3.43Å; K122-A126 VanDerWaalsContact O-N 3.12Å | ||
| 123 | L | 92.5 | Very high | 93.3 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | -175.9 | -69.7 | 177.2 | 0 | 0 | 0 | 114.2 | S121 A127 L167 M170 K174 | S121-L123 PolarHBondContact O-N 3.46Å; L123-A127 WeakPolarHBondContact O-CB 3.34Å; L123-A127 PolarHBondContact O-N 3.39Å; L123-L167 HydrophobicContact CD2-CD2 3.62Å; L123-M170 HydrophobicContact CD2-CB 4.16Å; L123-M170 HydrophobicContact CD2-CE 4.13Å; L123-M170 HydrophobicContact CD2-SD 4.44Å; L123-K174 HydrophobicContact CD1-CD 3.57Å; L123-K174 HydrophobicContact CD1-CG 4.48Å |
| 124 | D | 92.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 32% | 0.316 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.8 | -49.5 | -176.4 | -155.5 | 25.7 | 0 | 0 | 0 | 111.9 | K122 A126 A127 G128 Y189 K192 I193 | K122-D124 PolarHBondContact O-N 2.94Å; D124-A126 PolarHBondContact O-N 3.24Å; D124-A127 PolarHBondContact O-N 2.97Å; D124-G128 PolarHBondContact O-N 3.32Å; D124-Y189 HydrophobicContact CB-CE2 4.19Å; D124-Y189 WeakPolarHBondContact CB-OH 3.36Å; D124-Y189 PolarHBondContact N-OH 3.27Å; D124-K192 VanDerWaalsContact CG-NZ 3.3Å; D124-K192 IonicContact OD1-NZ 2.92Å; D124-K192 PolarHBondContact OD1-NZ 3.15Å; D124-K192 IonicContact OD2-NZ 3.77Å; D124-K192 PolarHBondContact OD2-NZ 3.05Å; D124-I193 HydrophobicContact CB-CD1 4.22Å |
| 125 | E | 94.4 | Very high | 93 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 178.4 | -66.5 | 175.7 | -155 | 0 | 0 | 110.7 | C117 K122 G128 Y129 | C117-E125 HydrophobicContact CB-CB 4.44Å; K122-E125 HydrophobicContact CB-CB 4.42Å; K122-E125 VanDerWaalsContact CD-CD 3.41Å; K122-E125 HydrophobicContact CD-CG 4.4Å; K122-E125 VanDerWaalsContact CD-OE1 3.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.48Å; K122-E125 VanDerWaalsContact CD-OE2 3.23Å; K122-E125 WeakPolarHBondContact CD-OE2 3.47Å; K122-E125 IonicContact NZ-OE1 3.47Å; K122-E125 PolarHBondContact NZ-OE1 3.45Å; K122-E125 IonicContact NZ-OE2 2.78Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.09Å; E125-G128 PolarHBondContact O-N 3.44Å; E125-Y129 WeakPolarHBondContact O-CD2 3.33Å; E125-Y129 PolarHBondContact O-N 3.48Å; E125-Y129 VanDerWaalsContact O-N 3.15Å |
| 126 | A | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V114 C117 K122 D124 G128 Y129 V130 L167 | V114-A126 HydrophobicContact CG2-CB 4.18Å; C117-A126 HydrophobicContact CB-CB 3.72Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.27Å; K122-A126 PolarHBondContact O-N 3.43Å; K122-A126 VanDerWaalsContact O-N 3.12Å; D124-A126 PolarHBondContact O-N 3.24Å; A126-G128 VanDerWaalsContact C-N 3.3Å; A126-G128 PolarHBondContact O-N 2.95Å; A126-Y129 PolarHBondContact O-N 3.33Å; A126-V130 PolarHBondContact O-N 3.07Å; A126-V130 VanDerWaalsContact O-N 3.17Å; A126-L167 HydrophobicContact CB-CD1 3.8Å; A126-L167 HydrophobicContact CB-CD2 3.69Å; A126-L167 HydrophobicContact CB-CG 4.39Å |
| 127 | A | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 D124 Y129 V130 F131 I193 L196 L197 | L123-A127 WeakPolarHBondContact O-CB 3.34Å; L123-A127 PolarHBondContact O-N 3.39Å; D124-A127 PolarHBondContact O-N 2.97Å; A127-Y129 PolarHBondContact O-N 3.2Å; A127-V130 PolarHBondContact O-N 3.48Å; A127-F131 WeakPolarHBondContact O-CB 3.37Å; A127-F131 PolarHBondContact O-N 2.88Å; A127-I193 HydrophobicContact CB-CD1 4.13Å; A127-I193 HydrophobicContact CB-CG2 4.2Å; A127-L196 HydrophobicContact CB-CB 3.73Å; A127-L196 HydrophobicContact CB-CD1 3.92Å; A127-L197 HydrophobicContact CB-CD2 4.05Å; A127-L197 HydrophobicContact CB-CG 4.23Å |
| 128 | G | 95.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | D124 E125 A126 V130 F131 T132 | D124-G128 PolarHBondContact O-N 3.32Å; E125-G128 PolarHBondContact O-N 3.44Å; A126-G128 VanDerWaalsContact C-N 3.3Å; A126-G128 PolarHBondContact O-N 2.95Å; G128-V130 PolarHBondContact O-N 3.16Å; G128-F131 WeakPolarHBondContact O-CB 3.49Å; G128-F131 PolarHBondContact O-N 3.43Å; G128-T132 WeakPolarHBondContact O-CG2 3.18Å; G128-T132 PolarHBondContact O-N 3.44Å |
| 129 | Y | 96 | Very high | 92.4 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 175.2 | -69.9 | -57.8 | 0 | 0 | 0 | 112.7 | G113 E125 A126 A127 F131 T132 Y133 | G113-Y129 VanDerWaalsContact C-CD2 3.48Å; E125-Y129 WeakPolarHBondContact O-CD2 3.33Å; E125-Y129 PolarHBondContact O-N 3.48Å; E125-Y129 VanDerWaalsContact O-N 3.15Å; A126-Y129 PolarHBondContact O-N 3.33Å; A127-Y129 PolarHBondContact O-N 3.2Å; Y129-F131 VanDerWaalsContact C-N 3.34Å; Y129-T132 PolarHBondContact O-N 2.97Å; Y129-T132 PolarHBondContact O-OG1 3.43Å; Y129-Y133 PolarHBondContact O-N 2.84Å |
| 130 | V | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | V114 A126 A127 G128 T132 Y133 L134 R164 L167 L197 | V114-V130 HydrophobicContact CG2-CG2 4Å; A126-V130 PolarHBondContact O-N 3.07Å; A126-V130 VanDerWaalsContact O-N 3.17Å; A127-V130 PolarHBondContact O-N 3.48Å; G128-V130 PolarHBondContact O-N 3.16Å; V130-T132 PolarHBondContact O-N 3.37Å; V130-Y133 WeakPolarHBondContact O-CA 3.35Å; V130-Y133 VanDerWaalsContact O-CB 3.3Å; V130-Y133 WeakPolarHBondContact O-CB 3.36Å; V130-Y133 PolarHBondContact O-N 3.23Å; V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.21Å; V130-L134 WeakPolarHBondContact O-CG 3.27Å; V130-L134 PolarHBondContact O-N 3.21Å; V130-R164 HydrophobicContact CG1-CB 3.84Å; V130-R164 HydrophobicContact CG1-CG 3.82Å; V130-R164 HydrophobicContact CG2-CB 4.18Å; V130-L167 HydrophobicContact CG2-CD1 3.78Å; V130-L197 HydrophobicContact CB-CD2 4.07Å; V130-L197 HydrophobicContact CG1-CD2 4.03Å; V130-L197 HydrophobicContact CG2-CD2 4.19Å |
| 131 | F | 95 | Very high | 92.5 | Very high | 47 Ų | 47 | 59.6 Ų | 59.6 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 178.5 | -177.5 | -104.9 | 0 | 0 | 0 | 112 | A127 G128 Y129 Y133 L134 E135 F195 L196 | A127-F131 WeakPolarHBondContact O-CB 3.37Å; A127-F131 PolarHBondContact O-N 2.88Å; G128-F131 WeakPolarHBondContact O-CB 3.49Å; G128-F131 PolarHBondContact O-N 3.43Å; Y129-F131 VanDerWaalsContact C-N 3.34Å; F131-Y133 PolarHBondContact O-N 2.87Å; F131-Y133 VanDerWaalsContact O-N 3.15Å; F131-L134 PolarHBondContact O-N 3.47Å; F131-E135 HydrophobicContact CD1-CG 4.34Å; F131-E135 HydrophobicContact CE1-CG 3.88Å; F131-E135 WeakPolarHBondContact CE1-OE1 3.38Å; F131-E135 VanDerWaalsContact CE1-OE2 3.28Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.28Å; F131-E135 HydrophobicContact CE2-CG 4.09Å; F131-E135 HydrophobicContact CZ-CG 3.76Å; F131-E135 WeakPolarHBondContact CZ-OE1 3.31Å; F131-E135 PolarHBondContact O-N 2.93Å; F131-F195 HydrophobicContact CD2-CE1 4.46Å; F131-F195 HydrophobicContact CE2-CD1 4.43Å; F131-F195 AromaticContact CE2-CE1 3.67Å; F131-F195 HydrophobicContact CE2-CE1 3.67Å; F131-F195 HydrophobicContact CE2-CZ 4.11Å; F131-F195 HydrophobicContact CZ-CE1 4.14Å; F131-L196 WeakPolarHBondContact CA-O 3.3Å; F131-L196 HydrophobicContact CB-CB 4.2Å; F131-L196 HydrophobicContact CB-CD2 3.74Å; F131-L196 WeakPolarHBondContact CB-O 3.27Å; F131-L196 HydrophobicContact CD1-CD2 4.04Å; F131-L196 HydrophobicContact CD2-CD2 3.78Å; F131-L196 HydrophobicContact CE2-CD2 4.37Å; F131-L196 HydrophobicContact CG-CD2 3.57Å |
| 132 | T | 92.6 | Very high | 92.7 | Very high | 55 Ų | 55 | 59.6 Ų | 59.6 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.8 | -29.9 | 175.6 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | S110 G128 Y129 V130 | S110-T132 PolarHBondContact OG-OG1 3.34Å; G128-T132 WeakPolarHBondContact O-CG2 3.18Å; G128-T132 PolarHBondContact O-N 3.44Å; Y129-T132 PolarHBondContact O-N 2.97Å; Y129-T132 PolarHBondContact O-OG1 3.43Å; V130-T132 PolarHBondContact O-N 3.37Å |
| 133 | Y | 92.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 12% | 0.122 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.2 | -40 | 174.8 | 159.5 | -118.1 | 0 | 0 | 0 | 112.1 | Y129 V130 F131 M136 I141 L157 L160 | Y129-Y133 PolarHBondContact O-N 2.84Å; V130-Y133 WeakPolarHBondContact O-CA 3.35Å; V130-Y133 VanDerWaalsContact O-CB 3.3Å; V130-Y133 WeakPolarHBondContact O-CB 3.36Å; V130-Y133 PolarHBondContact O-N 3.23Å; F131-Y133 PolarHBondContact O-N 2.87Å; F131-Y133 VanDerWaalsContact O-N 3.15Å; Y133-M136 VanDerWaalsContact O-CB 3.32Å; Y133-M136 WeakPolarHBondContact O-CB 3.39Å; Y133-M136 PolarHBondContact O-N 3.45Å; Y133-I141 HydrophobicContact CE2-CD1 4.47Å; Y133-L157 HydrophobicContact CD2-CD2 4.11Å; Y133-L157 HydrophobicContact CE2-CD2 3.64Å; Y133-L160 HydrophobicContact CD1-CB 3.9Å; Y133-L160 HydrophobicContact CD2-CD1 4.11Å; Y133-L160 HydrophobicContact CE1-CB 4.19Å; Y133-L160 HydrophobicContact CG-CB 4.15Å; Y133-L160 HydrophobicContact CG-CD1 3.92Å; Y133-L160 HydrophobicContact CG-CG 4.46Å |
| 134 | L | 92.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -31.2 | 179.9 | -66.2 | 177.3 | 0 | 0 | 0 | 113.3 | V130 F131 M136 | V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 HydrophobicContact CG1-CG 4.21Å; V130-L134 WeakPolarHBondContact O-CG 3.27Å; V130-L134 PolarHBondContact O-N 3.21Å; F131-L134 PolarHBondContact O-N 3.47Å; L134-M136 PolarHBondContact O-N 3.48Å |
| 135 | E | 91.5 | Very high | 92.4 | Very high | 137 Ų | 137 | 56.4 Ų | 56.4 | 64% | 0.64 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.7 | 175.7 | -69.6 | -162.3 | 137.2 | 0 | 0 | 113.7 | F131 | F131-E135 HydrophobicContact CD1-CG 4.34Å; F131-E135 HydrophobicContact CE1-CG 3.88Å; F131-E135 WeakPolarHBondContact CE1-OE1 3.38Å; F131-E135 VanDerWaalsContact CE1-OE2 3.28Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.28Å; F131-E135 HydrophobicContact CE2-CG 4.09Å; F131-E135 HydrophobicContact CZ-CG 3.76Å; F131-E135 WeakPolarHBondContact CZ-OE1 3.31Å; F131-E135 PolarHBondContact O-N 2.93Å |
| 136 | M | 90.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -79 | 145.1 | -168.9 | -131.6 | -176.8 | 55.8 | 0 | 0 | 113.6 | H103 V107 Y133 L134 I140 I141 I144 | H103-M136 HydrophobicContact CB-SD 4.45Å; V107-M136 HydrophobicContact CB-SD 4.49Å; V107-M136 HydrophobicContact CG2-CE 3.16Å; V107-M136 HydrophobicContact CG2-SD 3.01Å; V107-M136 WeakPolarHBondContact CG2-SD 3.44Å; Y133-M136 VanDerWaalsContact O-CB 3.32Å; Y133-M136 WeakPolarHBondContact O-CB 3.39Å; Y133-M136 PolarHBondContact O-N 3.45Å; L134-M136 PolarHBondContact O-N 3.48Å; M136-I140 HydrophobicContact CE-CB 3.76Å; M136-I140 HydrophobicContact CE-CG2 3.32Å; M136-I140 HydrophobicContact CG-CD1 4.45Å; M136-I140 HydrophobicContact SD-CG2 4.14Å; M136-I141 HydrophobicContact CE-CG1 4.05Å; M136-I144 HydrophobicContact CE-CD1 3.81Å |
| 137 | E | 90.3 | Very high | 91.7 | Very high | 126 Ų | 126 | 65.7 Ų | 65.7 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | trans | -64.3 | 141.5 | -176.2 | -60.8 | -177.3 | 173.8 | 0 | 0 | 112.7 | D139 I140 I141 | E137-D139 PolarHBondContact O-N 3.29Å; E137-I140 HydrophobicContact CB-CD1 3.94Å; E137-I140 HydrophobicContact CB-CG1 4.22Å; E137-I140 HydrophobicContact CG-CD1 4.36Å; E137-I140 WeakPolarHBondContact O-CB 3.47Å; E137-I140 PolarHBondContact O-N 3.47Å; E137-I141 PolarHBondContact O-N 2.74Å; E137-I141 VanDerWaalsContact O-N 3.11Å | ||
| 138 | K | 90.7 | Very high | 91.3 | Very high | 177 Ų | 177 | 66.4 Ų | 66.4 | 77% | 0.77 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.4 | -37.5 | -179.5 | -65.8 | -178.2 | -179.8 | 178 | 0 | 112.7 | I140 I141 S142 | K138-I140 VanDerWaalsContact C-N 3.29Å; K138-I140 PolarHBondContact O-N 2.89Å; K138-I141 PolarHBondContact O-N 2.86Å; K138-S142 WeakPolarHBondContact O-CB 3.39Å; K138-S142 PolarHBondContact O-N 2.94Å |
| 139 | D | 89.9 | Confident | 90.8 | Very high | 111 Ų | 111 | 68.4 Ų | 68.4 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 179.1 | -72.6 | 7.1 | 0 | 0 | 0 | 111.4 | E137 S142 L143 | E137-D139 PolarHBondContact O-N 3.29Å; D139-S142 PolarHBondContact O-N 2.84Å; D139-S142 PolarHBondContact O-OG 3.41Å; D139-L143 WeakPolarHBondContact O-CB 3.49Å; D139-L143 PolarHBondContact O-N 3.35Å |
| 140 | I | 91.3 | Very high | 90 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.4 | -42 | 179.1 | -54.7 | 165.2 | 0 | 0 | 0 | 110.2 | H103 I104 M136 E137 K138 S142 L143 I144 | H103-I140 HydrophobicContact CB-CD1 3.67Å; H103-I140 HydrophobicContact CB-CG1 4.42Å; H103-I140 HydrophobicContact CB-CG2 3.85Å; I104-I140 HydrophobicContact CG1-CG2 4.48Å; M136-I140 HydrophobicContact CE-CB 3.76Å; M136-I140 HydrophobicContact CE-CG2 3.32Å; M136-I140 HydrophobicContact CG-CD1 4.45Å; M136-I140 HydrophobicContact SD-CG2 4.14Å; E137-I140 HydrophobicContact CB-CD1 3.94Å; E137-I140 HydrophobicContact CB-CG1 4.22Å; E137-I140 HydrophobicContact CG-CD1 4.36Å; E137-I140 WeakPolarHBondContact O-CB 3.47Å; E137-I140 PolarHBondContact O-N 3.47Å; K138-I140 VanDerWaalsContact C-N 3.29Å; K138-I140 PolarHBondContact O-N 2.89Å; I140-S142 VanDerWaalsContact C-N 3.29Å; I140-S142 PolarHBondContact O-N 3.05Å; I140-L143 WeakPolarHBondContact O-CB 3.47Å; I140-L143 PolarHBondContact O-N 3.1Å; I140-L143 VanDerWaalsContact O-N 3.13Å; I140-I144 HydrophobicContact CG2-CD1 3.97Å; I140-I144 HydrophobicContact CG2-CG1 4.41Å; I140-I144 WeakPolarHBondContact O-CG1 3.22Å; I140-I144 PolarHBondContact O-N 2.99Å |
| 141 | I | 91.4 | Very high | 89.4 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 174.3 | -63.5 | 172 | 0 | 0 | 0 | 109.8 | Y133 M136 E137 K138 L143 I144 S145 L157 | Y133-I141 HydrophobicContact CE2-CD1 4.47Å; M136-I141 HydrophobicContact CE-CG1 4.05Å; E137-I141 PolarHBondContact O-N 2.74Å; E137-I141 VanDerWaalsContact O-N 3.11Å; K138-I141 PolarHBondContact O-N 2.86Å; I141-L143 VanDerWaalsContact C-N 3.29Å; I141-L143 PolarHBondContact O-N 3.49Å; I141-I144 PolarHBondContact O-N 3.18Å; I141-S145 PolarHBondContact O-N 3.12Å; I141-S145 PolarHBondContact O-OG 3.4Å; I141-L157 HydrophobicContact CG2-CD1 4.06Å; I141-L157 HydrophobicContact CG2-CD2 4.47Å; I141-L157 WeakPolarHBondContact O-CD1 3.36Å |
| 142 | S | 90.7 | Very high | 88.4 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 51% | 0.51 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 177.4 | 81.6 | 0 | 0 | 0 | 0 | 112.5 | K138 D139 I140 R146 | K138-S142 WeakPolarHBondContact O-CB 3.39Å; K138-S142 PolarHBondContact O-N 2.94Å; D139-S142 PolarHBondContact O-N 2.84Å; D139-S142 PolarHBondContact O-OG 3.41Å; I140-S142 VanDerWaalsContact C-N 3.29Å; I140-S142 PolarHBondContact O-N 3.05Å; S142-R146 PolarHBondContact O-N 3.22Å |
| 143 | L | 90.2 | Very high | 87.7 | Confident | 33 Ų | 33 | 82.7 Ų | 82.7 | 17% | 0.173 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 178.3 | -178.1 | 62.4 | 0 | 0 | 0 | 111.4 | K100 I104 D139 I140 I141 R146 L147 | K100-L143 HydrophobicContact CB-CD2 4.33Å; K100-L143 HydrophobicContact CD-CD2 4.25Å; I104-L143 HydrophobicContact CD1-CD2 3.78Å; I104-L143 HydrophobicContact CD1-CG 4.24Å; D139-L143 WeakPolarHBondContact O-CB 3.49Å; D139-L143 PolarHBondContact O-N 3.35Å; I140-L143 WeakPolarHBondContact O-CB 3.47Å; I140-L143 PolarHBondContact O-N 3.1Å; I140-L143 VanDerWaalsContact O-N 3.13Å; I141-L143 VanDerWaalsContact C-N 3.29Å; I141-L143 PolarHBondContact O-N 3.49Å; L143-R146 PolarHBondContact O-N 3.26Å; L143-L147 HydrophobicContact CD1-CD1 4.43Å; L143-L147 HydrophobicContact CD1-CG 4.49Å; L143-L147 HydrophobicContact CG-CD1 4.1Å; L143-L147 VanDerWaalsContact O-CG 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.41Å; L143-L147 PolarHBondContact O-N 3.16Å |
| 144 | I | 90.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 86.8 Ų | 86.8 | 2% | 0.015 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 178.4 | -66.5 | 169.1 | 0 | 0 | 0 | 110.8 | I104 V107 M136 I140 I141 R146 L147 S148 P156 L157 | I104-I144 HydrophobicContact CB-CG1 4.37Å; I104-I144 HydrophobicContact CG1-CD1 4.22Å; I104-I144 HydrophobicContact CG1-CG1 3.75Å; I104-I144 HydrophobicContact CG2-CG1 4.28Å; V107-I144 HydrophobicContact CB-CD1 3.7Å; V107-I144 HydrophobicContact CG1-CD1 3.91Å; V107-I144 HydrophobicContact CG2-CD1 3.45Å; V107-I144 VanDerWaalsContact CG2-CD1 3.45Å; M136-I144 HydrophobicContact CE-CD1 3.81Å; I140-I144 HydrophobicContact CG2-CD1 3.97Å; I140-I144 HydrophobicContact CG2-CG1 4.41Å; I140-I144 WeakPolarHBondContact O-CG1 3.22Å; I140-I144 PolarHBondContact O-N 2.99Å; I141-I144 PolarHBondContact O-N 3.18Å; I144-R146 VanDerWaalsContact C-N 3.28Å; I144-R146 PolarHBondContact O-N 3.02Å; I144-L147 PolarHBondContact O-N 3.37Å; I144-S148 WeakPolarHBondContact O-CB 3.3Å; I144-S148 PolarHBondContact O-N 3.46Å; I144-S148 PolarHBondContact O-OG 3.16Å; I144-P156 HydrophobicContact CG2-CG 3.68Å; I144-L157 HydrophobicContact CB-CD1 3.94Å; I144-L157 HydrophobicContact CB-CD2 4.34Å; I144-L157 HydrophobicContact CB-CG 4.22Å; I144-L157 HydrophobicContact CD1-CD2 4.35Å; I144-L157 HydrophobicContact CG2-CD1 3.76Å; I144-L157 HydrophobicContact CG2-CD2 4.01Å; I144-L157 HydrophobicContact CG2-CG 3.61Å |
| 145 | S | 89.1 | Confident | 87.1 | Confident | 53 Ų | 53 | 84.8 Ų | 84.8 | 37% | 0.371 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 173.8 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | I141 S148 A149 L157 | I141-S145 PolarHBondContact O-N 3.12Å; I141-S145 PolarHBondContact O-OG 3.4Å; S145-S148 PolarHBondContact O-N 2.89Å; S145-A149 PolarHBondContact O-N 3.1Å; S145-L157 WeakPolarHBondContact OG-CD1 3.21Å |
| 146 | R | 88.8 | Confident | 87.1 | Confident | 183 Ų | 183 | 78.8 Ų | 78.8 | 69% | 0.691 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 178.1 | -172.4 | 172.9 | 61.9 | 179 | -0.9 | 112.7 | S142 L143 I144 S148 A149 | S142-R146 PolarHBondContact O-N 3.22Å; L143-R146 PolarHBondContact O-N 3.26Å; I144-R146 VanDerWaalsContact C-N 3.28Å; I144-R146 PolarHBondContact O-N 3.02Å; R146-S148 PolarHBondContact O-N 2.97Å; R146-A149 WeakPolarHBondContact O-CB 3.5Å; R146-A149 PolarHBondContact O-N 2.93Å |
| 147 | L | 87.6 | Confident | 87.3 | Confident | 106 Ų | 106 | 78.1 Ų | 78.1 | 56% | 0.555 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67 | -25.6 | 177 | -72.2 | 171 | 0 | 0 | 0 | 112.8 | I104 L143 I144 | I104-L147 HydrophobicContact CD1-CD1 3.65Å; L143-L147 HydrophobicContact CD1-CD1 4.43Å; L143-L147 HydrophobicContact CD1-CG 4.49Å; L143-L147 HydrophobicContact CG-CD1 4.1Å; L143-L147 VanDerWaalsContact O-CG 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.41Å; L143-L147 PolarHBondContact O-N 3.16Å; I144-L147 PolarHBondContact O-N 3.37Å |
| 148 | S | 86.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 75 Ų | 75 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 4 | -178.1 | -48.1 | 0 | 0 | 0 | 0 | 113.1 | I144 S145 R146 D150 N151 | I144-S148 WeakPolarHBondContact O-CB 3.3Å; I144-S148 PolarHBondContact O-N 3.46Å; I144-S148 PolarHBondContact O-OG 3.16Å; S145-S148 PolarHBondContact O-N 2.89Å; R146-S148 PolarHBondContact O-N 2.97Å; S148-D150 PolarHBondContact O-N 3.31Å; S148-N151 CarbonylContact O-C 3.3Å; S148-N151 VanDerWaalsContact O-C 3.3Å; S148-N151 PolarHBondContact O-N 2.66Å; S148-N151 VanDerWaalsContact O-N 3.14Å |
| 149 | A | 83.7 | Confident | 87.5 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 56% | 0.562 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S145 R146 N151 | S145-A149 PolarHBondContact O-N 3.1Å; R146-A149 WeakPolarHBondContact O-CB 3.5Å; R146-A149 PolarHBondContact O-N 2.93Å; A149-N151 VanDerWaalsContact C-N 3.34Å |
| 150 | D | 80.3 | Confident | 87.7 | Confident | 144 Ų | 144 | 61.8 Ų | 61.8 | 77% | 0.77 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.8 | -178.5 | -60.7 | -25 | 0 | 0 | 0 | 113.4 | S148 | S148-D150 PolarHBondContact O-N 3.31Š|
| 151 | N | 82.9 | Confident | 87.8 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | trans | -139.6 | 74.6 | -178.6 | -73.9 | -68.7 | 0 | 0 | 0 | 110.4 | S148 A149 D153 N154 N155 | S148-N151 CarbonylContact O-C 3.3Å; S148-N151 VanDerWaalsContact O-C 3.3Å; S148-N151 PolarHBondContact O-N 2.66Å; S148-N151 VanDerWaalsContact O-N 3.14Å; A149-N151 VanDerWaalsContact C-N 3.34Å; N151-D153 VanDerWaalsContact C-N 3.27Å; N151-D153 PolarHBondContact O-N 2.89Å; N151-N154 HydrophobicContact CB-CB 4.46Å; N151-N154 PolarHBondContact O-N 3.04Å; N151-N154 VanDerWaalsContact O-N 3.1Å; N151-N155 PolarHBondContact O-N 3.18Å | ||
| 152 | P | 74.5 | Confident | 88 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 53% | 0.532 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -58.4 | -37.4 | -175.6 | 21.6 | -31.9 | 0 | 0 | 0 | 112.8 | N154 N155 | P152-N154 PolarHBondContact O-N 3.39Å; P152-N154 VanDerWaalsContact O-N 3.16Å; P152-N155 VanDerWaalsContact O-CB 3.24Å; P152-N155 WeakPolarHBondContact O-CB 3.41Å; P152-N155 PolarHBondContact O-N 3.34Å |
| 153 | D | 77.7 | Confident | 88.2 | Confident | 150 Ų | 150 | 63.1 Ų | 63.1 | 80% | 0.802 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -63.6 | -23.2 | -179.5 | -61.6 | -20.8 | 0 | 0 | 0 | 113.7 | N151 | N151-D153 VanDerWaalsContact C-N 3.27Å; N151-D153 PolarHBondContact O-N 2.89Å |
| 154 | N | 81.2 | Confident | 88.4 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -107.8 | 17.7 | 179.1 | -98.5 | -30.7 | 0 | 0 | 0 | 112.5 | N151 P152 P156 | N151-N154 HydrophobicContact CB-CB 4.46Å; N151-N154 PolarHBondContact O-N 3.04Å; N151-N154 VanDerWaalsContact O-N 3.1Å; P152-N154 PolarHBondContact O-N 3.39Å; P152-N154 VanDerWaalsContact O-N 3.16Å; N154-P156 VanDerWaalsContact O-CD 3.29Å; N154-P156 WeakPolarHBondContact O-CD 3.5Å |
| 155 | N | 89.9 | Confident | 88.6 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | trans | -71.8 | 114.3 | 176.3 | -176.4 | -17.5 | 0 | 0 | 0 | 109.8 | N151 P152 L157 T158 T159 | N151-N155 PolarHBondContact O-N 3.18Å; P152-N155 VanDerWaalsContact O-CB 3.24Å; P152-N155 WeakPolarHBondContact O-CB 3.41Å; P152-N155 PolarHBondContact O-N 3.34Å; N155-L157 PolarHBondContact O-N 3.18Å; N155-L157 VanDerWaalsContact OD1-CB 3.3Å; N155-L157 WeakPolarHBondContact OD1-CB 3.46Å; N155-L157 PolarHBondContact OD1-N 3.15Å; N155-T158 HydrophobicContact CB-CG2 3.99Å; N155-T158 PolarHBondContact O-N 3.25Å; N155-T158 PolarHBondContact O-OG1 3.44Å; N155-T159 PolarHBondContact O-N 3.26Å | ||
| 156 | P | 92.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 7% | 0.071 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -26.9 | -177 | 29.2 | -36.4 | 0 | 0 | 0 | 112.3 | V107 A111 I144 N154 T159 L160 | V107-P156 HydrophobicContact CG1-CB 4.12Å; V107-P156 HydrophobicContact CG1-CG 4.23Å; A111-P156 HydrophobicContact CB-CB 3.57Å; I144-P156 HydrophobicContact CG2-CG 3.68Å; N154-P156 VanDerWaalsContact O-CD 3.29Å; N154-P156 WeakPolarHBondContact O-CD 3.5Å; P156-T159 PolarHBondContact O-N 3.06Å; P156-L160 WeakPolarHBondContact O-CB 3.24Å; P156-L160 WeakPolarHBondContact O-CD1 3.4Å; P156-L160 WeakPolarHBondContact O-CG 3.43Å; P156-L160 PolarHBondContact O-N 3.4Å |
| 157 | L | 93.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | 177.6 | -55.5 | 173 | 0 | 0 | 0 | 111.3 | V107 Y133 I141 I144 S145 N155 T159 L160 D161 | V107-L157 HydrophobicContact CG1-CD2 3.94Å; Y133-L157 HydrophobicContact CD2-CD2 4.11Å; Y133-L157 HydrophobicContact CE2-CD2 3.64Å; I141-L157 HydrophobicContact CG2-CD1 4.06Å; I141-L157 HydrophobicContact CG2-CD2 4.47Å; I141-L157 WeakPolarHBondContact O-CD1 3.36Å; I144-L157 HydrophobicContact CB-CD1 3.94Å; I144-L157 HydrophobicContact CB-CD2 4.34Å; I144-L157 HydrophobicContact CB-CG 4.22Å; I144-L157 HydrophobicContact CD1-CD2 4.35Å; I144-L157 HydrophobicContact CG2-CD1 3.76Å; I144-L157 HydrophobicContact CG2-CD2 4.01Å; I144-L157 HydrophobicContact CG2-CG 3.61Å; S145-L157 WeakPolarHBondContact OG-CD1 3.21Å; N155-L157 PolarHBondContact O-N 3.18Å; N155-L157 VanDerWaalsContact OD1-CB 3.3Å; N155-L157 WeakPolarHBondContact OD1-CB 3.46Å; N155-L157 PolarHBondContact OD1-N 3.15Å; L157-T159 VanDerWaalsContact C-N 3.34Å; L157-T159 PolarHBondContact O-N 3.5Å; L157-L160 PolarHBondContact O-N 3.06Å; L157-D161 PolarHBondContact O-N 2.72Å |
| 158 | T | 92.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.362 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.1 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | N155 L160 D161 D162 | N155-T158 HydrophobicContact CB-CG2 3.99Å; N155-T158 PolarHBondContact O-N 3.25Å; N155-T158 PolarHBondContact O-OG1 3.44Å; T158-L160 VanDerWaalsContact C-N 3.3Å; T158-L160 PolarHBondContact O-N 2.99Å; T158-D161 PolarHBondContact O-N 2.99Å; T158-D162 WeakPolarHBondContact O-CB 3.15Å; T158-D162 VanDerWaalsContact O-CG 3.24Å; T158-D162 PolarHBondContact O-N 3.27Å |
| 159 | T | 92.9 | Very high | 90 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58 | -42.6 | 174.9 | -73.2 | 0 | 0 | 0 | 0 | 112.1 | A111 K115 N155 P156 L157 S163 | A111-T159 HydrophobicContact CB-CG2 4Å; K115-T159 HydrophobicContact CD-CG2 3.59Å; K115-T159 HydrophobicContact CG-CG2 3.87Å; K115-T159 PolarHBondContact NZ-OG1 3.47Å; N155-T159 PolarHBondContact O-N 3.26Å; P156-T159 PolarHBondContact O-N 3.06Å; L157-T159 VanDerWaalsContact C-N 3.34Å; L157-T159 PolarHBondContact O-N 3.5Å; T159-S163 VanDerWaalsContact O-CB 3.22Å; T159-S163 WeakPolarHBondContact O-CB 3.42Å; T159-S163 PolarHBondContact O-N 3.45Å; T159-S163 PolarHBondContact O-OG 2.93Å |
| 160 | L | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 179 | -81 | 158.7 | 0 | 0 | 0 | 112 | V107 A111 V114 Y133 P156 L157 T158 S163 R164 | V107-L160 HydrophobicContact CG1-CD1 3.52Å; A111-L160 HydrophobicContact CB-CD1 4.09Å; A111-L160 HydrophobicContact CB-CG 3.94Å; V114-L160 HydrophobicContact CB-CD2 4.44Å; V114-L160 HydrophobicContact CG1-CD2 3.96Å; Y133-L160 HydrophobicContact CD1-CB 3.9Å; Y133-L160 HydrophobicContact CD2-CD1 4.11Å; Y133-L160 HydrophobicContact CE1-CB 4.19Å; Y133-L160 HydrophobicContact CG-CB 4.15Å; Y133-L160 HydrophobicContact CG-CD1 3.92Å; Y133-L160 HydrophobicContact CG-CG 4.46Å; P156-L160 WeakPolarHBondContact O-CB 3.24Å; P156-L160 WeakPolarHBondContact O-CD1 3.4Å; P156-L160 WeakPolarHBondContact O-CG 3.43Å; P156-L160 PolarHBondContact O-N 3.4Å; L157-L160 PolarHBondContact O-N 3.06Å; T158-L160 VanDerWaalsContact C-N 3.3Å; T158-L160 PolarHBondContact O-N 2.99Å; L160-S163 PolarHBondContact O-N 2.98Å; L160-R164 WeakPolarHBondContact O-CB 3.31Å; L160-R164 PolarHBondContact O-N 3.17Å |
| 161 | D | 94.1 | Very high | 91.2 | Very high | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 178.9 | -157.4 | 59.4 | 0 | 0 | 0 | 111.8 | L157 T158 S163 R164 Q165 | L157-D161 PolarHBondContact O-N 2.72Å; T158-D161 PolarHBondContact O-N 2.99Å; D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 PolarHBondContact O-N 2.97Å; D161-R164 WeakPolarHBondContact O-CB 3.24Å; D161-R164 PolarHBondContact O-N 3.34Å; D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.89Å; D161-Q165 PolarHBondContact OD2-NE2 3.4Å |
| 162 | D | 94.1 | Very high | 91.8 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 174.1 | -69.1 | -19.6 | 0 | 0 | 0 | 111 | T158 R164 Q165 I166 | T158-D162 WeakPolarHBondContact O-CB 3.15Å; T158-D162 VanDerWaalsContact O-CG 3.24Å; T158-D162 PolarHBondContact O-N 3.27Å; D162-R164 VanDerWaalsContact C-N 3.33Å; D162-R164 PolarHBondContact O-N 3.24Å; D162-Q165 PolarHBondContact O-N 3.23Å; D162-I166 WeakPolarHBondContact O-CG1 3.27Å; D162-I166 PolarHBondContact O-N 3.42Å |
| 163 | S | 94.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | V114 T159 L160 D161 I166 L167 | V114-S163 WeakPolarHBondContact CG1-OG 3.25Å; T159-S163 VanDerWaalsContact O-CB 3.22Å; T159-S163 WeakPolarHBondContact O-CB 3.42Å; T159-S163 PolarHBondContact O-N 3.45Å; T159-S163 PolarHBondContact O-OG 2.93Å; L160-S163 PolarHBondContact O-N 2.98Å; D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 PolarHBondContact O-N 2.97Å; S163-I166 PolarHBondContact O-N 3.19Å; S163-L167 WeakPolarHBondContact O-CB 3.48Å; S163-L167 WeakPolarHBondContact O-CG 3.48Å; S163-L167 PolarHBondContact O-N 3.38Å |
| 164 | R | 95.4 | Very high | 93.6 | Very high | 49 Ų | 49 | 49 Ų | 49 | 19% | 0.185 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 174 | 174.9 | -178.6 | 172.4 | -160.8 | -2.1 | 110.6 | V130 L160 D161 D162 I166 L167 V168 L197 E199 | V130-R164 HydrophobicContact CG1-CB 3.84Å; V130-R164 HydrophobicContact CG1-CG 3.82Å; V130-R164 HydrophobicContact CG2-CB 4.18Å; L160-R164 WeakPolarHBondContact O-CB 3.31Å; L160-R164 PolarHBondContact O-N 3.17Å; D161-R164 WeakPolarHBondContact O-CB 3.24Å; D161-R164 PolarHBondContact O-N 3.34Å; D162-R164 VanDerWaalsContact C-N 3.33Å; D162-R164 PolarHBondContact O-N 3.24Å; R164-I166 VanDerWaalsContact C-N 3.3Å; R164-I166 PolarHBondContact O-N 2.76Å; R164-L167 PolarHBondContact O-N 2.87Å; R164-V168 HydrophobicContact CG-CG2 4.4Å; R164-V168 VanDerWaalsContact O-CG2 3.31Å; R164-V168 WeakPolarHBondContact O-CG2 3.4Å; R164-V168 PolarHBondContact O-N 2.85Å; R164-L197 VanDerWaalsContact CZ-O 3.27Å; R164-L197 PolarHBondContact NE-O 2.88Å; R164-L197 PolarHBondContact NH2-O 3.44Å; R164-E199 IonicContact CZ-OE1 2.79Å; R164-E199 IonicContact NE-OE1 3.64Å; R164-E199 IonicContact NH2-OE1 3.75Å; R164-E199 PolarHBondContact NH2-OE1 2.88Å |
| 165 | Q | 95.5 | Very high | 94.3 | Very high | 100 Ų | 100 | 43.7 Ų | 43.7 | 47% | 0.467 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 179.5 | -68 | 178.2 | 27.6 | 0 | 0 | 112.2 | D161 D162 K169 | D161-Q165 WeakPolarHBondContact O-CG 3.5Å; D161-Q165 PolarHBondContact O-N 2.89Å; D161-Q165 PolarHBondContact OD2-NE2 3.4Å; D162-Q165 PolarHBondContact O-N 3.23Å; Q165-K169 WeakPolarHBondContact O-CG 3.39Å; Q165-K169 PolarHBondContact O-N 3.12Å |
| 166 | I | 94.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 46.3 Ų | 46.3 | 41% | 0.405 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 175 | -63 | 163.2 | 0 | 0 | 0 | 110.5 | L118 D162 S163 R164 V168 K169 M170 | L118-I166 HydrophobicContact CD1-CG2 4.38Å; L118-I166 HydrophobicContact CD2-CD1 4.4Å; L118-I166 HydrophobicContact CD2-CG2 3.96Å; D162-I166 WeakPolarHBondContact O-CG1 3.27Å; D162-I166 PolarHBondContact O-N 3.42Å; S163-I166 PolarHBondContact O-N 3.19Å; R164-I166 VanDerWaalsContact C-N 3.3Å; R164-I166 PolarHBondContact O-N 2.76Å; I166-V168 VanDerWaalsContact C-N 3.32Å; I166-V168 PolarHBondContact O-N 3.23Å; I166-K169 PolarHBondContact O-N 2.75Å; I166-M170 HydrophobicContact CG2-CG 4.36Å; I166-M170 HydrophobicContact CG2-SD 4Å; I166-M170 WeakPolarHBondContact O-CG 3.46Å; I166-M170 PolarHBondContact O-N 2.9Å |
| 167 | L | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 179 | -73 | 166.8 | 0 | 0 | 0 | 112.5 | V114 L118 L123 A126 V130 S163 R164 M170 A171 L197 | V114-L167 HydrophobicContact CG2-CD1 3.83Å; L118-L167 HydrophobicContact CD1-CD1 4.36Å; L118-L167 HydrophobicContact CD1-CD2 3.89Å; L118-L167 HydrophobicContact CD1-CG 3.8Å; L123-L167 HydrophobicContact CD2-CD2 3.62Å; A126-L167 HydrophobicContact CB-CD1 3.8Å; A126-L167 HydrophobicContact CB-CD2 3.69Å; A126-L167 HydrophobicContact CB-CG 4.39Å; V130-L167 HydrophobicContact CG2-CD1 3.78Å; S163-L167 WeakPolarHBondContact O-CB 3.48Å; S163-L167 WeakPolarHBondContact O-CG 3.48Å; S163-L167 PolarHBondContact O-N 3.38Å; R164-L167 PolarHBondContact O-N 2.87Å; L167-M170 PolarHBondContact O-N 2.92Å; L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.26Å; L167-A171 PolarHBondContact O-N 2.78Å; L167-L197 HydrophobicContact CB-CD1 3.98Å; L167-L197 HydrophobicContact CB-CD2 3.77Å; L167-L197 HydrophobicContact CD1-CD2 3.94Å |
| 168 | V | 95.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 51 Ų | 51 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | R164 I166 A171 V172 L197 E199 | R164-V168 HydrophobicContact CG-CG2 4.4Å; R164-V168 VanDerWaalsContact O-CG2 3.31Å; R164-V168 WeakPolarHBondContact O-CG2 3.4Å; R164-V168 PolarHBondContact O-N 2.85Å; I166-V168 VanDerWaalsContact C-N 3.32Å; I166-V168 PolarHBondContact O-N 3.23Å; V168-A171 PolarHBondContact O-N 2.76Å; V168-V172 WeakPolarHBondContact O-CG2 3.27Å; V168-V172 PolarHBondContact O-N 2.98Å; V168-L197 HydrophobicContact CG2-CB 4.12Å; V168-L197 HydrophobicContact CG2-CD1 3.93Å; V168-E199 HydrophobicContact CG1-CG 4.3Å; V168-E199 HydrophobicContact CG2-CG 3.67Å |
| 169 | K | 95 | Very high | 94.9 | Very high | 137 Ų | 137 | 50.4 Ų | 50.4 | 60% | 0.596 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.5 | -45.9 | 176.1 | -69.5 | 176.6 | -176.6 | 176.2 | 0 | 111.7 | Q165 I166 A171 V172 E173 | Q165-K169 WeakPolarHBondContact O-CG 3.39Å; Q165-K169 PolarHBondContact O-N 3.12Å; I166-K169 PolarHBondContact O-N 2.75Å; K169-A171 VanDerWaalsContact C-N 3.32Å; K169-A171 PolarHBondContact O-N 3.34Å; K169-V172 WeakPolarHBondContact O-CB 3.48Å; K169-V172 PolarHBondContact O-N 3.15Å; K169-E173 WeakPolarHBondContact O-CG 3.36Å; K169-E173 PolarHBondContact O-N 3.27Å |
| 170 | M | 94.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 20% | 0.202 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.5 | -67.7 | 176.1 | 72.8 | 0 | 0 | 112.4 | L123 I166 L167 E173 K174 | L123-M170 HydrophobicContact CD2-CB 4.16Å; L123-M170 HydrophobicContact CD2-CE 4.13Å; L123-M170 HydrophobicContact CD2-SD 4.44Å; I166-M170 HydrophobicContact CG2-CG 4.36Å; I166-M170 HydrophobicContact CG2-SD 4Å; I166-M170 WeakPolarHBondContact O-CG 3.46Å; I166-M170 PolarHBondContact O-N 2.9Å; L167-M170 PolarHBondContact O-N 2.92Å; M170-E173 PolarHBondContact O-N 3.45Å; M170-K174 WeakPolarHBondContact O-CB 3.15Å; M170-K174 WeakPolarHBondContact O-CG 3.42Å; M170-K174 PolarHBondContact O-N 3.49Å |
| 171 | A | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L167 V168 K169 F175 L190 I193 F194 L197 | L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.26Å; L167-A171 PolarHBondContact O-N 2.78Å; V168-A171 PolarHBondContact O-N 2.76Å; K169-A171 VanDerWaalsContact C-N 3.32Å; K169-A171 PolarHBondContact O-N 3.34Å; A171-F175 VanDerWaalsContact O-CB 3.29Å; A171-F175 WeakPolarHBondContact O-CB 3.39Å; A171-F175 PolarHBondContact O-N 3.39Å; A171-L190 HydrophobicContact CB-CD2 4.45Å; A171-I193 HydrophobicContact CB-CG2 4.17Å; A171-F194 HydrophobicContact CB-CE1 4.15Å; A171-F194 HydrophobicContact CB-CZ 4.06Å; A171-L197 HydrophobicContact CB-CD1 4.35Å |
| 172 | V | 95.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 64.8 Ų | 64.8 | 16% | 0.164 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 173.6 | 161.5 | 0 | 0 | 0 | 0 | 111.5 | V168 K169 K174 F175 D176 F194 R206 | V168-V172 WeakPolarHBondContact O-CG2 3.27Å; V168-V172 PolarHBondContact O-N 2.98Å; K169-V172 WeakPolarHBondContact O-CB 3.48Å; K169-V172 PolarHBondContact O-N 3.15Å; V172-K174 PolarHBondContact O-N 3.07Å; V172-F175 WeakPolarHBondContact O-CB 3.47Å; V172-F175 PolarHBondContact O-N 2.91Å; V172-F175 VanDerWaalsContact O-N 3.15Å; V172-D176 PolarHBondContact O-N 2.93Å; V172-D176 VanDerWaalsContact O-N 3.09Å; V172-F194 HydrophobicContact CG2-CE1 4.02Å; V172-F194 HydrophobicContact CG2-CZ 3.96Å; V172-R206 VanDerWaalsContact CG1-CZ 3.47Å |
| 173 | E | 95 | Very high | 94.5 | Very high | 131 Ų | 131 | 66.4 Ų | 66.4 | 61% | 0.612 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | -179.8 | -72 | 169.8 | -173.6 | 0 | 0 | 111.9 | K169 M170 F175 D176 E177 | K169-E173 WeakPolarHBondContact O-CG 3.36Å; K169-E173 PolarHBondContact O-N 3.27Å; M170-E173 PolarHBondContact O-N 3.45Å; E173-F175 VanDerWaalsContact C-N 3.28Å; E173-F175 PolarHBondContact O-N 2.98Å; E173-D176 PolarHBondContact O-N 2.98Å; E173-E177 PolarHBondContact O-N 3.2Å |
| 174 | K | 94.2 | Very high | 94.3 | Very high | 54 Ų | 54 | 70.7 Ų | 70.7 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -31.7 | 175.6 | -71.8 | -158.9 | -169.7 | 175.6 | 0 | 112.6 | L123 M170 V172 E177 Y178 L190 | L123-K174 HydrophobicContact CD1-CD 3.57Å; L123-K174 HydrophobicContact CD1-CG 4.48Å; M170-K174 WeakPolarHBondContact O-CB 3.15Å; M170-K174 WeakPolarHBondContact O-CG 3.42Å; M170-K174 PolarHBondContact O-N 3.49Å; V172-K174 PolarHBondContact O-N 3.07Å; K174-E177 PolarHBondContact O-N 3.47Å; K174-Y178 HydrophobicContact CB-CD2 4.49Å; K174-Y178 HydrophobicContact CB-CE2 4.09Å; K174-Y178 WeakPolarHBondContact O-CB 3.21Å; K174-Y178 WeakPolarHBondContact O-CD2 3.37Å; K174-Y178 PolarHBondContact O-N 3.47Å; K174-L190 HydrophobicContact CB-CD1 4.12Å |
| 175 | F | 95.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 77 Ų | 77 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 176 | -170.4 | -85.5 | 0 | 0 | 0 | 110.3 | A171 V172 E173 E177 Y178 V179 I187 L190 F194 R206 | A171-F175 VanDerWaalsContact O-CB 3.29Å; A171-F175 WeakPolarHBondContact O-CB 3.39Å; A171-F175 PolarHBondContact O-N 3.39Å; V172-F175 WeakPolarHBondContact O-CB 3.47Å; V172-F175 PolarHBondContact O-N 2.91Å; V172-F175 VanDerWaalsContact O-N 3.15Å; E173-F175 VanDerWaalsContact C-N 3.28Å; E173-F175 PolarHBondContact O-N 2.98Å; F175-E177 VanDerWaalsContact C-N 3.29Å; F175-E177 PolarHBondContact O-N 3.32Å; F175-Y178 PolarHBondContact O-N 3.12Å; F175-V179 HydrophobicContact CD1-CG2 3.8Å; F175-V179 HydrophobicContact CE1-CG2 3.46Å; F175-V179 VanDerWaalsContact CE1-CG2 3.46Å; F175-V179 HydrophobicContact CZ-CG2 4.07Å; F175-V179 VanDerWaalsContact O-CG2 3.32Å; F175-V179 WeakPolarHBondContact O-CG2 3.37Å; F175-V179 PolarHBondContact O-N 3.27Å; F175-I187 HydrophobicContact CD2-CG2 4.45Å; F175-I187 HydrophobicContact CE2-CG2 3.62Å; F175-I187 HydrophobicContact CZ-CG2 3.85Å; F175-L190 HydrophobicContact CB-CD1 3.71Å; F175-L190 HydrophobicContact CD2-CB 4.08Å; F175-L190 HydrophobicContact CD2-CD1 3.98Å; F175-L190 HydrophobicContact CG-CD1 4.3Å; F175-L190 VanDerWaalsContact N-CD1 3.32Å; F175-F194 HydrophobicContact CB-CE2 4.48Å; F175-F194 HydrophobicContact CD2-CE2 4.06Å; F175-F194 HydrophobicContact CG-CE2 4.49Å; F175-R206 HydrophobicContact CD1-CB 4.11Å; F175-R206 HydrophobicContact CE1-CB 3.69Å; F175-R206 HydrophobicContact CE2-CB 4.35Å; F175-R206 HydrophobicContact CZ-CB 3.83Å |
| 176 | D | 94.9 | Very high | 94.1 | Very high | 75 Ų | 75 | 75 Ų | 75 | 40% | 0.401 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | -178.7 | -63.4 | -21.1 | 0 | 0 | 0 | 111.2 | V172 E173 S180 R206 | V172-D176 PolarHBondContact O-N 2.93Å; V172-D176 VanDerWaalsContact O-N 3.09Å; E173-D176 PolarHBondContact O-N 2.98Å; D176-S180 WeakPolarHBondContact O-CB 3.5Å; D176-S180 PolarHBondContact O-N 3.34Å; D176-S180 VanDerWaalsContact O-N 3.11Å; D176-S180 PolarHBondContact O-OG 2.84Å; D176-R206 VanDerWaalsContact CG-NH1 3.32Å; D176-R206 IonicContact OD1-NH1 3.01Å; D176-R206 PolarHBondContact OD1-NH1 3.33Å; D176-R206 IonicContact OD2-NH1 3.65Å; D176-R206 PolarHBondContact OD2-NH1 2.95Å |
| 177 | E | 95.6 | Very high | 94 | Very high | 82 Ų | 82 | 71.3 Ų | 71.3 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 171.1 | -170.3 | -167.6 | 159.7 | 0 | 0 | 112.4 | E173 K174 F175 S180 K181 | E173-E177 PolarHBondContact O-N 3.2Å; K174-E177 PolarHBondContact O-N 3.47Å; F175-E177 VanDerWaalsContact C-N 3.29Å; F175-E177 PolarHBondContact O-N 3.32Å; E177-S180 WeakPolarHBondContact O-CB 3.14Å; E177-S180 PolarHBondContact O-N 2.85Å; E177-K181 HydrophobicContact CG-CD 4.34Å; E177-K181 PolarHBondContact O-N 3.46Å; E177-K181 WeakPolarHBondContact OE1-CE 3.49Å; E177-K181 IonicContact OE1-NZ 3.02Å; E177-K181 PolarHBondContact OE1-NZ 3.07Å |
| 178 | Y | 95.6 | Very high | 93.9 | Very high | 39 Ų | 39 | 71.7 Ų | 71.7 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.9 | -33.2 | -177.9 | -65.2 | -30.1 | 0 | 0 | 0 | 113 | K174 F175 S180 K181 R182 Y183 N186 L190 | K174-Y178 HydrophobicContact CB-CD2 4.49Å; K174-Y178 HydrophobicContact CB-CE2 4.09Å; K174-Y178 WeakPolarHBondContact O-CB 3.21Å; K174-Y178 WeakPolarHBondContact O-CD2 3.37Å; K174-Y178 PolarHBondContact O-N 3.47Å; F175-Y178 PolarHBondContact O-N 3.12Å; Y178-S180 VanDerWaalsContact C-N 3.33Å; Y178-K181 PolarHBondContact O-N 3.31Å; Y178-R182 WeakPolarHBondContact O-CA 3.42Å; Y178-R182 PolarHBondContact O-N 2.87Å; Y178-Y183 AromaticContact CD1-CD2 3.96Å; Y178-Y183 HydrophobicContact CD1-CD2 3.96Å; Y178-Y183 HydrophobicContact CE1-CD2 4.46Å; Y178-Y183 PolarHBondContact O-N 3.23Å; Y178-N186 HydrophobicContact CD1-CB 4.08Å; Y178-N186 HydrophobicContact CD2-CB 3.43Å; Y178-N186 VanDerWaalsContact CD2-CB 3.43Å; Y178-N186 HydrophobicContact CE1-CB 4.2Å; Y178-N186 WeakPolarHBondContact CE1-ND2 3.18Å; Y178-N186 HydrophobicContact CE2-CB 3.59Å; Y178-N186 HydrophobicContact CG-CB 3.7Å; Y178-L190 HydrophobicContact CD2-CD1 3.53Å; Y178-L190 HydrophobicContact CD2-CG 4.23Å; Y178-L190 HydrophobicContact CE2-CD1 3.87Å; Y178-L190 HydrophobicContact CE2-CG 4.25Å |
| 179 | V | 94.7 | Very high | 93.8 | Very high | 46 Ų | 46 | 73.8 Ų | 73.8 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 170.3 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | F175 K181 R182 I187 Y210 | F175-V179 HydrophobicContact CD1-CG2 3.8Å; F175-V179 HydrophobicContact CE1-CG2 3.46Å; F175-V179 VanDerWaalsContact CE1-CG2 3.46Å; F175-V179 HydrophobicContact CZ-CG2 4.07Å; F175-V179 VanDerWaalsContact O-CG2 3.32Å; F175-V179 WeakPolarHBondContact O-CG2 3.37Å; F175-V179 PolarHBondContact O-N 3.27Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.14Å; V179-R182 PolarHBondContact O-N 3.11Å; V179-I187 HydrophobicContact CG2-CD1 3.98Å; V179-I187 HydrophobicContact CG2-CG1 4.31Å; V179-Y210 HydrophobicContact CG1-CD2 4.15Å; V179-Y210 HydrophobicContact CG2-CD2 3.92Å; V179-Y210 HydrophobicContact CG2-CG 4.26Å |
| 180 | S | 93.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 71% | 0.706 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 179 | -58 | 0 | 0 | 0 | 0 | 112.4 | D176 E177 Y178 | D176-S180 WeakPolarHBondContact O-CB 3.5Å; D176-S180 PolarHBondContact O-N 3.34Å; D176-S180 VanDerWaalsContact O-N 3.11Å; D176-S180 PolarHBondContact O-OG 2.84Å; E177-S180 WeakPolarHBondContact O-CB 3.14Å; E177-S180 PolarHBondContact O-N 2.85Å; Y178-S180 VanDerWaalsContact C-N 3.33Å |
| 181 | K | 93.1 | Very high | 93.7 | Very high | 104 Ų | 104 | 65.3 Ų | 65.3 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -84.8 | -5.1 | 178.1 | -66.8 | 179.7 | -179.8 | 173.4 | 0 | 114.4 | E177 Y178 V179 Y183 | E177-K181 HydrophobicContact CG-CD 4.34Å; E177-K181 PolarHBondContact O-N 3.46Å; E177-K181 WeakPolarHBondContact OE1-CE 3.49Å; E177-K181 IonicContact OE1-NZ 3.02Å; E177-K181 PolarHBondContact OE1-NZ 3.07Å; Y178-K181 PolarHBondContact O-N 3.31Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.14Å; K181-Y183 VanDerWaalsContact C-N 3.35Å; K181-Y183 HydrophobicContact CB-CD1 4.36Å; K181-Y183 HydrophobicContact CB-CD2 3.87Å; K181-Y183 HydrophobicContact CB-CE1 4.27Å; K181-Y183 HydrophobicContact CB-CE2 3.78Å; K181-Y183 HydrophobicContact CB-CG 4.16Å; K181-Y183 HydrophobicContact CD-CD2 4.25Å; K181-Y183 HydrophobicContact CD-CE2 3.63Å; K181-Y183 HydrophobicContact CG-CE2 4.32Å; K181-Y183 PolarHBondContact O-N 3.37Å |
| 182 | R | 89.4 | Confident | 93.7 | Very high | 164 Ų | 164 | 68.4 Ų | 68.4 | 62% | 0.619 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 40.8 | -174.8 | -57.7 | -162.7 | 177.3 | -155.1 | 0 | 114.5 | Y178 V179 E184 | Y178-R182 WeakPolarHBondContact O-CA 3.42Å; Y178-R182 PolarHBondContact O-N 2.87Å; V179-R182 PolarHBondContact O-N 3.11Å; R182-E184 PolarHBondContact O-N 3.24Å |
| 183 | Y | 92.6 | Very high | 93.6 | Very high | 123 Ų | 123 | 67.1 Ų | 67.1 | 48% | 0.482 | 31% | 0.311 | S | S | . | . | trans | -87.5 | 81 | 175.3 | -65.3 | -25.2 | 0 | 0 | 0 | 111.7 | Y178 K181 K185 N186 I187 | Y178-Y183 AromaticContact CD1-CD2 3.96Å; Y178-Y183 HydrophobicContact CD1-CD2 3.96Å; Y178-Y183 HydrophobicContact CE1-CD2 4.46Å; Y178-Y183 PolarHBondContact O-N 3.23Å; K181-Y183 VanDerWaalsContact C-N 3.35Å; K181-Y183 HydrophobicContact CB-CD1 4.36Å; K181-Y183 HydrophobicContact CB-CD2 3.87Å; K181-Y183 HydrophobicContact CB-CE1 4.27Å; K181-Y183 HydrophobicContact CB-CE2 3.78Å; K181-Y183 HydrophobicContact CB-CG 4.16Å; K181-Y183 HydrophobicContact CD-CD2 4.25Å; K181-Y183 HydrophobicContact CD-CE2 3.63Å; K181-Y183 HydrophobicContact CG-CE2 4.32Å; K181-Y183 PolarHBondContact O-N 3.37Å; Y183-K185 PolarHBondContact O-N 3.19Å; Y183-N186 PolarHBondContact O-N 3.49Å; Y183-I187 WeakPolarHBondContact O-CG1 3.28Å; Y183-I187 PolarHBondContact O-N 2.95Å | ||
| 184 | E | 90.2 | Very high | 93.7 | Very high | 98 Ų | 98 | 61 Ų | 61 | 46% | 0.458 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -51.6 | -48 | -174.6 | -172.5 | 176.5 | -166.4 | 0 | 0 | 113.7 | R182 N186 I187 V188 | R182-E184 PolarHBondContact O-N 3.24Å; E184-N186 PolarHBondContact O-N 3.28Å; E184-I187 WeakPolarHBondContact O-CB 3.48Å; E184-I187 PolarHBondContact O-N 3.5Å; E184-V188 WeakPolarHBondContact O-CG2 3.41Å; E184-V188 PolarHBondContact O-N 2.94Å |
| 185 | K | 92.2 | Very high | 93.7 | Very high | 182 Ų | 182 | 61.5 Ų | 61.5 | 79% | 0.791 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.4 | -36.3 | 179 | -65.1 | -174.4 | -179.4 | -179.3 | 0 | 112.6 | Y183 Y189 | Y183-K185 PolarHBondContact O-N 3.19Å; K185-Y189 WeakPolarHBondContact O-CB 3.49Å; K185-Y189 PolarHBondContact O-N 3.42Å |
| 186 | N | 93.4 | Very high | 93.6 | Very high | 58 Ų | 58 | 62.2 Ų | 62.2 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -77.3 | -32.8 | -178.7 | -66.3 | 11.3 | 0 | 0 | 0 | 111.7 | Y178 Y183 E184 Y189 L190 | Y178-N186 HydrophobicContact CD1-CB 4.08Å; Y178-N186 HydrophobicContact CD2-CB 3.43Å; Y178-N186 VanDerWaalsContact CD2-CB 3.43Å; Y178-N186 HydrophobicContact CE1-CB 4.2Å; Y178-N186 WeakPolarHBondContact CE1-ND2 3.18Å; Y178-N186 HydrophobicContact CE2-CB 3.59Å; Y178-N186 HydrophobicContact CG-CB 3.7Å; Y183-N186 PolarHBondContact O-N 3.49Å; E184-N186 PolarHBondContact O-N 3.28Å; N186-Y189 PolarHBondContact O-N 3.46Å; N186-L190 WeakPolarHBondContact O-CG 3.33Å; N186-L190 PolarHBondContact O-N 2.76Å |
| 187 | I | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 172.7 | -63 | 168.4 | 0 | 0 | 0 | 109.6 | F175 V179 Y183 E184 Y189 L190 L191 F207 Y210 | F175-I187 HydrophobicContact CD2-CG2 4.45Å; F175-I187 HydrophobicContact CE2-CG2 3.62Å; F175-I187 HydrophobicContact CZ-CG2 3.85Å; V179-I187 HydrophobicContact CG2-CD1 3.98Å; V179-I187 HydrophobicContact CG2-CG1 4.31Å; Y183-I187 WeakPolarHBondContact O-CG1 3.28Å; Y183-I187 PolarHBondContact O-N 2.95Å; E184-I187 WeakPolarHBondContact O-CB 3.48Å; E184-I187 PolarHBondContact O-N 3.5Å; I187-Y189 VanDerWaalsContact C-N 3.33Å; I187-Y189 PolarHBondContact O-N 2.7Å; I187-L190 PolarHBondContact O-N 3.44Å; I187-L190 VanDerWaalsContact O-N 3.15Å; I187-L191 PolarHBondContact O-N 2.93Å; I187-F207 HydrophobicContact CG2-CD2 3.75Å; I187-F207 HydrophobicContact CG2-CE2 3.86Å; I187-Y210 HydrophobicContact CD1-CD2 3.93Å; I187-Y210 HydrophobicContact CD1-CE1 4.18Å; I187-Y210 HydrophobicContact CD1-CE2 3.55Å; I187-Y210 HydrophobicContact CD1-CG 4.38Å; I187-Y210 HydrophobicContact CG2-CD1 4Å; I187-Y210 HydrophobicContact CG2-CE1 4.21Å; I187-Y210 HydrophobicContact CG2-CG 4.36Å |
| 188 | V | 92.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | E184 L190 L191 F207 H258 Y262 | E184-V188 WeakPolarHBondContact O-CG2 3.41Å; E184-V188 PolarHBondContact O-N 2.94Å; V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 PolarHBondContact O-N 2.99Å; V188-L191 WeakPolarHBondContact O-CB 3.46Å; V188-L191 PolarHBondContact O-N 3.44Å; V188-F207 HydrophobicContact CG2-CE2 4.18Å; V188-F207 HydrophobicContact CG2-CZ 4.29Å; V188-H258 HydrophobicContact CG1-CB 3.83Å; V188-Y262 HydrophobicContact CG1-CD2 4.35Å; V188-Y262 HydrophobicContact CG1-CE2 3.7Å |
| 189 | Y | 93 | Very high | 93.5 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 173.4 | 161.4 | -102.4 | 0 | 0 | 0 | 112.4 | D124 K185 N186 I187 L191 K192 I193 | D124-Y189 HydrophobicContact CB-CE2 4.19Å; D124-Y189 WeakPolarHBondContact CB-OH 3.36Å; D124-Y189 PolarHBondContact N-OH 3.27Å; K185-Y189 WeakPolarHBondContact O-CB 3.49Å; K185-Y189 PolarHBondContact O-N 3.42Å; N186-Y189 PolarHBondContact O-N 3.46Å; I187-Y189 VanDerWaalsContact C-N 3.33Å; I187-Y189 PolarHBondContact O-N 2.7Å; Y189-L191 VanDerWaalsContact C-N 3.28Å; Y189-L191 PolarHBondContact O-N 2.9Å; Y189-K192 VanDerWaalsContact O-CB 3.32Å; Y189-K192 WeakPolarHBondContact O-CB 3.25Å; Y189-K192 PolarHBondContact O-N 3.42Å; Y189-K192 VanDerWaalsContact O-N 3.13Å; Y189-I193 HydrophobicContact CD1-CG1 4.44Å; Y189-I193 HydrophobicContact CE1-CD1 4.38Å; Y189-I193 HydrophobicContact CE1-CG1 3.88Å; Y189-I193 HydrophobicContact CE2-CD1 3.9Å; Y189-I193 HydrophobicContact CE2-CG1 4.08Å; Y189-I193 PolarHBondContact O-N 2.98Å; Y189-I193 WeakPolarHBondContact OH-CD1 3.46Å |
| 190 | L | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -24.8 | 178.7 | -76.2 | 175.7 | 0 | 0 | 0 | 113.6 | A171 K174 F175 Y178 N186 I187 V188 K192 I193 F194 | A171-L190 HydrophobicContact CB-CD2 4.45Å; K174-L190 HydrophobicContact CB-CD1 4.12Å; F175-L190 HydrophobicContact CB-CD1 3.71Å; F175-L190 HydrophobicContact CD2-CB 4.08Å; F175-L190 HydrophobicContact CD2-CD1 3.98Å; F175-L190 HydrophobicContact CG-CD1 4.3Å; F175-L190 VanDerWaalsContact N-CD1 3.32Å; Y178-L190 HydrophobicContact CD2-CD1 3.53Å; Y178-L190 HydrophobicContact CD2-CG 4.23Å; Y178-L190 HydrophobicContact CE2-CD1 3.87Å; Y178-L190 HydrophobicContact CE2-CG 4.25Å; N186-L190 WeakPolarHBondContact O-CG 3.33Å; N186-L190 PolarHBondContact O-N 2.76Å; I187-L190 PolarHBondContact O-N 3.44Å; I187-L190 VanDerWaalsContact O-N 3.15Å; V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 PolarHBondContact O-N 2.99Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 3.39Å; L190-I193 HydrophobicContact CD2-CB 4.3Å; L190-I193 HydrophobicContact CD2-CG1 4.27Å; L190-I193 PolarHBondContact O-N 2.89Å; L190-I193 VanDerWaalsContact O-N 3.12Å; L190-F194 HydrophobicContact CB-CE2 4.47Å; L190-F194 WeakPolarHBondContact O-CD2 3.31Å; L190-F194 PolarHBondContact O-N 2.93Å |
| 191 | L | 93.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 169.4 | -95.7 | 155.6 | 0 | 0 | 0 | 111.5 | I187 V188 Y189 I193 F194 F195 I204 F207 V259 | I187-L191 PolarHBondContact O-N 2.93Å; V188-L191 WeakPolarHBondContact O-CB 3.46Å; V188-L191 PolarHBondContact O-N 3.44Å; Y189-L191 VanDerWaalsContact C-N 3.28Å; Y189-L191 PolarHBondContact O-N 2.9Å; L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 PolarHBondContact O-N 3.37Å; L191-F194 PolarHBondContact O-N 3.47Å; L191-F195 PolarHBondContact O-N 3.44Å; L191-I204 HydrophobicContact CD2-CG1 4.36Å; L191-F207 HydrophobicContact CD1-CB 4.14Å; L191-F207 HydrophobicContact CD1-CD1 3.61Å; L191-F207 HydrophobicContact CD1-CD2 3.51Å; L191-F207 HydrophobicContact CD1-CE1 3.69Å; L191-F207 HydrophobicContact CD1-CE2 3.63Å; L191-F207 HydrophobicContact CD1-CG 3.48Å; L191-F207 VanDerWaalsContact CD1-CG 3.48Å; L191-F207 HydrophobicContact CD1-CZ 3.68Å; L191-F207 HydrophobicContact CD2-CB 4.28Å; L191-F207 HydrophobicContact CD2-CG 4.44Å; L191-F207 HydrophobicContact CG-CB 4.22Å; L191-F207 HydrophobicContact CG-CD2 4.22Å; L191-F207 HydrophobicContact CG-CG 4.1Å; L191-V259 HydrophobicContact CD1-CG2 4.36Å |
| 192 | K | 94 | Very high | 93.4 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 174.5 | -174.9 | -164.9 | 174.5 | -151.4 | 0 | 110.9 | D124 Y189 L190 F195 L196 Y262 | D124-K192 VanDerWaalsContact CG-NZ 3.3Å; D124-K192 IonicContact OD1-NZ 2.92Å; D124-K192 PolarHBondContact OD1-NZ 3.15Å; D124-K192 IonicContact OD2-NZ 3.77Å; D124-K192 PolarHBondContact OD2-NZ 3.05Å; Y189-K192 VanDerWaalsContact O-CB 3.32Å; Y189-K192 WeakPolarHBondContact O-CB 3.25Å; Y189-K192 PolarHBondContact O-N 3.42Å; Y189-K192 VanDerWaalsContact O-N 3.13Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 3.39Å; K192-F195 PolarHBondContact O-N 2.98Å; K192-L196 HydrophobicContact CG-CD1 4.29Å; K192-L196 WeakPolarHBondContact O-CG 3.45Å; K192-L196 PolarHBondContact O-N 2.87Å; K192-Y262 HydrophobicContact CB-CD1 3.79Å; K192-Y262 HydrophobicContact CB-CE1 4.28Å; K192-Y262 HydrophobicContact CB-CG 3.94Å; K192-Y262 HydrophobicContact CD-CD1 4.3Å; K192-Y262 HydrophobicContact CD-CE1 4.28Å; K192-Y262 HydrophobicContact CG-CD1 3.88Å; K192-Y262 HydrophobicContact CG-CE1 4.35Å; K192-Y262 HydrophobicContact CG-CG 4.47Å |
| 193 | I | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 179.4 | -58.8 | -54.6 | 0 | 0 | 0 | 111.3 | D124 A127 A171 Y189 L190 L191 F195 L196 L197 | D124-I193 HydrophobicContact CB-CD1 4.22Å; A127-I193 HydrophobicContact CB-CD1 4.13Å; A127-I193 HydrophobicContact CB-CG2 4.2Å; A171-I193 HydrophobicContact CB-CG2 4.17Å; Y189-I193 HydrophobicContact CD1-CG1 4.44Å; Y189-I193 HydrophobicContact CE1-CD1 4.38Å; Y189-I193 HydrophobicContact CE1-CG1 3.88Å; Y189-I193 HydrophobicContact CE2-CD1 3.9Å; Y189-I193 HydrophobicContact CE2-CG1 4.08Å; Y189-I193 PolarHBondContact O-N 2.98Å; Y189-I193 WeakPolarHBondContact OH-CD1 3.46Å; L190-I193 HydrophobicContact CD2-CB 4.3Å; L190-I193 HydrophobicContact CD2-CG1 4.27Å; L190-I193 PolarHBondContact O-N 2.89Å; L190-I193 VanDerWaalsContact O-N 3.12Å; L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 PolarHBondContact O-N 3.37Å; I193-F195 VanDerWaalsContact C-N 3.29Å; I193-F195 PolarHBondContact O-N 3.19Å; I193-L196 HydrophobicContact CD1-CD1 4.43Å; I193-L196 PolarHBondContact O-N 3.14Å; I193-L197 HydrophobicContact CG2-CD1 3.83Å; I193-L197 HydrophobicContact CG2-CG 4.32Å; I193-L197 WeakPolarHBondContact O-CB 3.29Å; I193-L197 VanDerWaalsContact O-CG 3.24Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 3.1Å |
| 194 | F | 95.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 175.5 | -79.8 | -66.7 | 0 | 0 | 0 | 112.2 | A171 V172 F175 L190 L191 L197 G198 E199 E202 | A171-F194 HydrophobicContact CB-CE1 4.15Å; A171-F194 HydrophobicContact CB-CZ 4.06Å; V172-F194 HydrophobicContact CG2-CE1 4.02Å; V172-F194 HydrophobicContact CG2-CZ 3.96Å; F175-F194 HydrophobicContact CB-CE2 4.48Å; F175-F194 HydrophobicContact CD2-CE2 4.06Å; F175-F194 HydrophobicContact CG-CE2 4.49Å; L190-F194 HydrophobicContact CB-CE2 4.47Å; L190-F194 WeakPolarHBondContact O-CD2 3.31Å; L190-F194 PolarHBondContact O-N 2.93Å; L191-F194 PolarHBondContact O-N 3.47Å; F194-L197 PolarHBondContact O-N 3.39Å; F194-G198 PolarHBondContact O-N 3.41Å; F194-E199 HydrophobicContact CD1-CB 4.06Å; F194-E199 CarbonylContact O-C 3.47Å; F194-E199 WeakPolarHBondContact O-CA 3.4Å; F194-E199 PolarHBondContact O-N 3.42Å; F194-E202 HydrophobicContact CE1-CG 4.46Å |
| 195 | F | 94.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.7 | -50.1 | 174.5 | 173.3 | -97.5 | 0 | 0 | 0 | 112.3 | F131 L191 K192 I193 L197 G198 T200 Y262 | F131-F195 HydrophobicContact CD2-CE1 4.46Å; F131-F195 HydrophobicContact CE2-CD1 4.43Å; F131-F195 AromaticContact CE2-CE1 3.67Å; F131-F195 HydrophobicContact CE2-CE1 3.67Å; F131-F195 HydrophobicContact CE2-CZ 4.11Å; F131-F195 HydrophobicContact CZ-CE1 4.14Å; L191-F195 PolarHBondContact O-N 3.44Å; K192-F195 PolarHBondContact O-N 2.98Å; I193-F195 VanDerWaalsContact C-N 3.29Å; I193-F195 PolarHBondContact O-N 3.19Å; F195-L197 PolarHBondContact O-N 3.18Å; F195-G198 PolarHBondContact O-N 3.49Å; F195-T200 HydrophobicContact CD2-CG2 4.26Å; F195-Y262 VanDerWaalsContact CD1-O 3.27Å; F195-Y262 WeakPolarHBondContact CD1-O 3.38Å; F195-Y262 WeakPolarHBondContact CD2-O 3.23Å; F195-Y262 WeakPolarHBondContact CG-O 3.37Å |
| 196 | L | 94.8 | Very high | 94 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -30.1 | 179.1 | -70.6 | 175.8 | 0 | 0 | 0 | 112.6 | A127 F131 K192 I193 G198 | A127-L196 HydrophobicContact CB-CB 3.73Å; A127-L196 HydrophobicContact CB-CD1 3.92Å; F131-L196 WeakPolarHBondContact CA-O 3.3Å; F131-L196 HydrophobicContact CB-CB 4.2Å; F131-L196 HydrophobicContact CB-CD2 3.74Å; F131-L196 WeakPolarHBondContact CB-O 3.27Å; F131-L196 HydrophobicContact CD1-CD2 4.04Å; F131-L196 HydrophobicContact CD2-CD2 3.78Å; F131-L196 HydrophobicContact CE2-CD2 4.37Å; F131-L196 HydrophobicContact CG-CD2 3.57Å; K192-L196 HydrophobicContact CG-CD1 4.29Å; K192-L196 WeakPolarHBondContact O-CG 3.45Å; K192-L196 PolarHBondContact O-N 2.87Å; I193-L196 HydrophobicContact CD1-CD1 4.43Å; I193-L196 PolarHBondContact O-N 3.14Å; L196-G198 VanDerWaalsContact C-N 3.28Å; L196-G198 PolarHBondContact O-N 3.31Å |
| 197 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 1.3 | 175.9 | -63.8 | 175.1 | 0 | 0 | 0 | 113.6 | A127 V130 R164 L167 V168 A171 I193 F194 F195 E199 | A127-L197 HydrophobicContact CB-CD2 4.05Å; A127-L197 HydrophobicContact CB-CG 4.23Å; V130-L197 HydrophobicContact CB-CD2 4.07Å; V130-L197 HydrophobicContact CG1-CD2 4.03Å; V130-L197 HydrophobicContact CG2-CD2 4.19Å; R164-L197 VanDerWaalsContact CZ-O 3.27Å; R164-L197 PolarHBondContact NE-O 2.88Å; R164-L197 PolarHBondContact NH2-O 3.44Å; L167-L197 HydrophobicContact CB-CD1 3.98Å; L167-L197 HydrophobicContact CB-CD2 3.77Å; L167-L197 HydrophobicContact CD1-CD2 3.94Å; V168-L197 HydrophobicContact CG2-CB 4.12Å; V168-L197 HydrophobicContact CG2-CD1 3.93Å; A171-L197 HydrophobicContact CB-CD1 4.35Å; I193-L197 HydrophobicContact CG2-CD1 3.83Å; I193-L197 HydrophobicContact CG2-CG 4.32Å; I193-L197 WeakPolarHBondContact O-CB 3.29Å; I193-L197 VanDerWaalsContact O-CG 3.24Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 3.1Å; F194-L197 PolarHBondContact O-N 3.39Å; F195-L197 PolarHBondContact O-N 3.18Å; L197-E199 PolarHBondContact O-N 3.37Å |
| 198 | G | 93 | Very high | 94.1 | Very high | 39 Ų | 39 | 34 Ų | 34 | 40% | 0.402 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 13 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F194 F195 L196 | F194-G198 PolarHBondContact O-N 3.41Å; F195-G198 PolarHBondContact O-N 3.49Å; L196-G198 VanDerWaalsContact C-N 3.28Å; L196-G198 PolarHBondContact O-N 3.31Å |
| 199 | E | 94.2 | Very high | 94.3 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | trans | -106.5 | 38.9 | -178 | -64.5 | -54.2 | 146.2 | 0 | 0 | 111.7 | R164 V168 F194 L197 N201 E202 G203 | R164-E199 IonicContact CZ-OE1 2.79Å; R164-E199 IonicContact NE-OE1 3.64Å; R164-E199 IonicContact NH2-OE1 3.75Å; R164-E199 PolarHBondContact NH2-OE1 2.88Å; V168-E199 HydrophobicContact CG1-CG 4.3Å; V168-E199 HydrophobicContact CG2-CG 3.67Å; F194-E199 HydrophobicContact CD1-CB 4.06Å; F194-E199 CarbonylContact O-C 3.47Å; F194-E199 WeakPolarHBondContact O-CA 3.4Å; F194-E199 PolarHBondContact O-N 3.42Å; L197-E199 PolarHBondContact O-N 3.37Å; E199-N201 VanDerWaalsContact C-N 3.3Å; E199-N201 PolarHBondContact O-N 3.31Å; E199-E202 HydrophobicContact CB-CB 4.45Å; E199-E202 PolarHBondContact O-N 2.88Å; E199-E202 VanDerWaalsContact O-N 3.15Å; E199-G203 PolarHBondContact O-N 3.32Å | ||
| 200 | T | 92.7 | Very high | 94.4 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 15% | 0.153 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.5 | -42.7 | -175.3 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | F195 E202 G203 I204 C263 | F195-T200 HydrophobicContact CD2-CG2 4.26Å; T200-E202 PolarHBondContact O-N 3.12Å; T200-G203 PolarHBondContact O-N 3.07Å; T200-I204 HydrophobicContact CG2-CD1 3.81Å; T200-I204 HydrophobicContact CG2-CG1 4.48Å; T200-I204 WeakPolarHBondContact O-CD1 3.41Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.48Å; T200-I204 PolarHBondContact O-N 3.24Å; T200-C263 HydrophobicContact CG2-CB 3.66Å |
| 201 | N | 92.5 | Very high | 94.4 | Very high | 132 Ų | 132 | 35.9 Ų | 35.9 | 71% | 0.706 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -63.4 | -41.7 | 179.9 | -70.2 | -37.1 | 0 | 0 | 0 | 112.3 | E199 R205 | E199-N201 VanDerWaalsContact C-N 3.3Å; E199-N201 PolarHBondContact O-N 3.31Å; N201-R205 VanDerWaalsContact O-CB 3.29Å; N201-R205 WeakPolarHBondContact O-CB 3.36Å; N201-R205 PolarHBondContact O-N 3.46Å |
| 202 | E | 93.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 36.8 Ų | 36.8 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.4 | -41 | 178.2 | 178.4 | 58.3 | -166.1 | 0 | 0 | 111 | F194 E199 T200 R205 R206 | F194-E202 HydrophobicContact CE1-CG 4.46Å; E199-E202 HydrophobicContact CB-CB 4.45Å; E199-E202 PolarHBondContact O-N 2.88Å; E199-E202 VanDerWaalsContact O-N 3.15Å; T200-E202 PolarHBondContact O-N 3.12Å; E202-R205 PolarHBondContact O-N 3.46Å; E202-R205 IonicContact OE1-CZ 3.23Å; E202-R205 IonicContact OE1-NE 2.75Å; E202-R205 IonicContact OE1-NH2 3.63Å; E202-R205 PolarHBondContact OE1-NH2 2.87Å; E202-R205 IonicContact OE2-CZ 3.23Å; E202-R205 IonicContact OE2-NE 3.24Å; E202-R205 PolarHBondContact OE2-NE 2.82Å; E202-R205 IonicContact OE2-NH2 2.71Å; E202-R205 PolarHBondContact OE2-NH2 3.38Å; E202-R206 WeakPolarHBondContact O-CG 3.41Å; E202-R206 PolarHBondContact O-N 3.5Å; E202-R206 IonicContact OE1-CZ 2.65Å; E202-R206 IonicContact OE1-NE 3.62Å; E202-R206 PolarHBondContact OE1-NE 3.35Å; E202-R206 IonicContact OE1-NH2 2.87Å |
| 203 | G | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E199 T200 R206 F207 | E199-G203 PolarHBondContact O-N 3.32Å; T200-G203 PolarHBondContact O-N 3.07Å; G203-R206 PolarHBondContact O-N 3.25Å; G203-F207 VanDerWaalsContact O-CB 3.25Å; G203-F207 WeakPolarHBondContact O-CB 3.35Å; G203-F207 PolarHBondContact O-N 3.47Å |
| 204 | I | 94.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.5 | -67.1 | 161.5 | 0 | 0 | 0 | 110.4 | L191 T200 R206 F207 S208 N267 | L191-I204 HydrophobicContact CD2-CG1 4.36Å; T200-I204 HydrophobicContact CG2-CD1 3.81Å; T200-I204 HydrophobicContact CG2-CG1 4.48Å; T200-I204 WeakPolarHBondContact O-CD1 3.41Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.48Å; T200-I204 PolarHBondContact O-N 3.24Å; I204-R206 VanDerWaalsContact C-N 3.35Å; I204-R206 PolarHBondContact O-N 3.13Å; I204-F207 PolarHBondContact O-N 3.14Å; I204-S208 WeakPolarHBondContact O-CB 3.19Å; I204-S208 PolarHBondContact O-N 2.94Å; I204-S208 PolarHBondContact O-OG 3.17Å; I204-N267 HydrophobicContact CD1-CB 3.58Å |
| 205 | R | 94.9 | Very high | 94.7 | Very high | 115 Ų | 115 | 40.8 Ų | 40.8 | 43% | 0.434 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.1 | -47.4 | -179.8 | -171.6 | -168.7 | 70.6 | 77.3 | 2.9 | 111.7 | N201 E202 S208 I209 | N201-R205 VanDerWaalsContact O-CB 3.29Å; N201-R205 WeakPolarHBondContact O-CB 3.36Å; N201-R205 PolarHBondContact O-N 3.46Å; E202-R205 PolarHBondContact O-N 3.46Å; E202-R205 IonicContact OE1-CZ 3.23Å; E202-R205 IonicContact OE1-NE 2.75Å; E202-R205 IonicContact OE1-NH2 3.63Å; E202-R205 PolarHBondContact OE1-NH2 2.87Å; E202-R205 IonicContact OE2-CZ 3.23Å; E202-R205 IonicContact OE2-NE 3.24Å; E202-R205 PolarHBondContact OE2-NE 2.82Å; E202-R205 IonicContact OE2-NH2 2.71Å; E202-R205 PolarHBondContact OE2-NH2 3.38Å; R205-S208 WeakPolarHBondContact O-CB 3.32Å; R205-S208 PolarHBondContact O-N 2.82Å; R205-I209 HydrophobicContact CG-CD1 4.45Å; R205-I209 WeakPolarHBondContact O-CG1 3.4Å; R205-I209 PolarHBondContact O-N 2.93Å |
| 206 | R | 94.5 | Very high | 94.8 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 178 | -74.2 | -172.3 | 173.3 | -106.4 | 0 | 112.2 | V172 F175 D176 E202 G203 I204 S208 I209 Y210 | V172-R206 VanDerWaalsContact CG1-CZ 3.47Å; F175-R206 HydrophobicContact CD1-CB 4.11Å; F175-R206 HydrophobicContact CE1-CB 3.69Å; F175-R206 HydrophobicContact CE2-CB 4.35Å; F175-R206 HydrophobicContact CZ-CB 3.83Å; D176-R206 VanDerWaalsContact CG-NH1 3.32Å; D176-R206 IonicContact OD1-NH1 3.01Å; D176-R206 PolarHBondContact OD1-NH1 3.33Å; D176-R206 IonicContact OD2-NH1 3.65Å; D176-R206 PolarHBondContact OD2-NH1 2.95Å; E202-R206 WeakPolarHBondContact O-CG 3.41Å; E202-R206 PolarHBondContact O-N 3.5Å; E202-R206 IonicContact OE1-CZ 2.65Å; E202-R206 IonicContact OE1-NE 3.62Å; E202-R206 PolarHBondContact OE1-NE 3.35Å; E202-R206 IonicContact OE1-NH2 2.87Å; G203-R206 PolarHBondContact O-N 3.25Å; I204-R206 VanDerWaalsContact C-N 3.35Å; I204-R206 PolarHBondContact O-N 3.13Å; R206-S208 VanDerWaalsContact C-N 3.34Å; R206-S208 PolarHBondContact O-N 3.23Å; R206-I209 PolarHBondContact O-N 3.5Å; R206-Y210 PolarHBondContact O-N 2.99Å |
| 207 | F | 95.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.9 | -169.8 | -112.1 | 0 | 0 | 0 | 112.4 | I187 V188 L191 G203 I204 I209 Y210 L211 N255 V259 L271 | I187-F207 HydrophobicContact CG2-CD2 3.75Å; I187-F207 HydrophobicContact CG2-CE2 3.86Å; V188-F207 HydrophobicContact CG2-CE2 4.18Å; V188-F207 HydrophobicContact CG2-CZ 4.29Å; L191-F207 HydrophobicContact CD1-CB 4.14Å; L191-F207 HydrophobicContact CD1-CD1 3.61Å; L191-F207 HydrophobicContact CD1-CD2 3.51Å; L191-F207 HydrophobicContact CD1-CE1 3.69Å; L191-F207 HydrophobicContact CD1-CE2 3.63Å; L191-F207 HydrophobicContact CD1-CG 3.48Å; L191-F207 VanDerWaalsContact CD1-CG 3.48Å; L191-F207 HydrophobicContact CD1-CZ 3.68Å; L191-F207 HydrophobicContact CD2-CB 4.28Å; L191-F207 HydrophobicContact CD2-CG 4.44Å; L191-F207 HydrophobicContact CG-CB 4.22Å; L191-F207 HydrophobicContact CG-CD2 4.22Å; L191-F207 HydrophobicContact CG-CG 4.1Å; G203-F207 VanDerWaalsContact O-CB 3.25Å; G203-F207 WeakPolarHBondContact O-CB 3.35Å; G203-F207 PolarHBondContact O-N 3.47Å; I204-F207 PolarHBondContact O-N 3.14Å; F207-I209 PolarHBondContact O-N 3.26Å; F207-Y210 HydrophobicContact CD2-CD1 4.19Å; F207-Y210 HydrophobicContact CE2-CD1 4.19Å; F207-Y210 HydrophobicContact CE2-CE1 4.39Å; F207-Y210 WeakPolarHBondContact O-CB 3.33Å; F207-Y210 PolarHBondContact O-N 3.49Å; F207-L211 WeakPolarHBondContact O-CB 3.3Å; F207-L211 PolarHBondContact O-N 3.25Å; F207-N255 HydrophobicContact CE1-CB 3.95Å; F207-N255 HydrophobicContact CZ-CB 4.1Å; F207-N255 WeakPolarHBondContact CZ-OD1 3.36Å; F207-V259 HydrophobicContact CD1-CG2 4.28Å; F207-V259 HydrophobicContact CE1-CG2 4.18Å; F207-L271 HydrophobicContact CD1-CD1 4.01Å; F207-L271 HydrophobicContact CD1-CD2 4.45Å; F207-L271 HydrophobicContact CE1-CD1 4.48Å; F207-L271 HydrophobicContact CE1-CD2 4.34Å |
| 208 | S | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 172.7 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | I204 R205 R206 Y210 L211 C212 L271 | I204-S208 WeakPolarHBondContact O-CB 3.19Å; I204-S208 PolarHBondContact O-N 2.94Å; I204-S208 PolarHBondContact O-OG 3.17Å; R205-S208 WeakPolarHBondContact O-CB 3.32Å; R205-S208 PolarHBondContact O-N 2.82Å; R206-S208 VanDerWaalsContact C-N 3.34Å; R206-S208 PolarHBondContact O-N 3.23Å; S208-Y210 PolarHBondContact O-N 2.82Å; S208-L211 PolarHBondContact O-N 3.23Å; S208-C212 VanDerWaalsContact O-CB 3.32Å; S208-C212 WeakPolarHBondContact O-CB 3.35Å; S208-C212 PolarHBondContact O-N 3.36Å; S208-C212 PolarHBondContact O-SG 3.21Å; S208-L271 WeakPolarHBondContact OG-CA 3.02Å; S208-L271 WeakPolarHBondContact OG-CD1 3.14Å |
| 209 | I | 95.5 | Very high | 94.9 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 177.9 | -69.6 | 165.3 | 0 | 0 | 0 | 111.2 | R205 R206 F207 L211 C212 S213 | R205-I209 HydrophobicContact CG-CD1 4.45Å; R205-I209 WeakPolarHBondContact O-CG1 3.4Å; R205-I209 PolarHBondContact O-N 2.93Å; R206-I209 PolarHBondContact O-N 3.5Å; F207-I209 PolarHBondContact O-N 3.26Å; I209-L211 VanDerWaalsContact C-N 3.35Å; I209-L211 PolarHBondContact O-N 3.21Å; I209-C212 PolarHBondContact O-N 3.33Å; I209-S213 PolarHBondContact O-N 3.34Å |
| 210 | Y | 95.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.4 | -50.2 | 174.1 | 158.5 | -104.9 | 0 | 0 | 0 | 111.1 | V179 I187 R206 F207 S208 C212 S213 Y214 | V179-Y210 HydrophobicContact CG1-CD2 4.15Å; V179-Y210 HydrophobicContact CG2-CD2 3.92Å; V179-Y210 HydrophobicContact CG2-CG 4.26Å; I187-Y210 HydrophobicContact CD1-CD2 3.93Å; I187-Y210 HydrophobicContact CD1-CE1 4.18Å; I187-Y210 HydrophobicContact CD1-CE2 3.55Å; I187-Y210 HydrophobicContact CD1-CG 4.38Å; I187-Y210 HydrophobicContact CG2-CD1 4Å; I187-Y210 HydrophobicContact CG2-CE1 4.21Å; I187-Y210 HydrophobicContact CG2-CG 4.36Å; R206-Y210 PolarHBondContact O-N 2.99Å; F207-Y210 HydrophobicContact CD2-CD1 4.19Å; F207-Y210 HydrophobicContact CE2-CD1 4.19Å; F207-Y210 HydrophobicContact CE2-CE1 4.39Å; F207-Y210 WeakPolarHBondContact O-CB 3.33Å; F207-Y210 PolarHBondContact O-N 3.49Å; S208-Y210 PolarHBondContact O-N 2.82Å; Y210-C212 PolarHBondContact O-N 3.37Å; Y210-S213 PolarHBondContact O-N 3.04Å; Y210-Y214 WeakPolarHBondContact O-CB 3.43Å; Y210-Y214 PolarHBondContact O-N 3.39Å |
| 211 | L | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | -176.4 | -158.5 | 66.4 | 0 | 0 | 0 | 111.4 | F207 S208 I209 S213 Y214 I215 T251 L252 N255 L271 V275 | F207-L211 WeakPolarHBondContact O-CB 3.3Å; F207-L211 PolarHBondContact O-N 3.25Å; S208-L211 PolarHBondContact O-N 3.23Å; I209-L211 VanDerWaalsContact C-N 3.35Å; I209-L211 PolarHBondContact O-N 3.21Å; L211-S213 PolarHBondContact O-N 3.23Å; L211-Y214 HydrophobicContact CD1-CD1 4.49Å; L211-Y214 PolarHBondContact O-N 3.4Å; L211-I215 HydrophobicContact CG-CD1 4.04Å; L211-I215 WeakPolarHBondContact O-CB 3.41Å; L211-I215 VanDerWaalsContact O-CG1 3.24Å; L211-I215 WeakPolarHBondContact O-CG1 3.44Å; L211-I215 PolarHBondContact O-N 2.98Å; L211-T251 HydrophobicContact CD1-CG2 3.56Å; L211-T251 HydrophobicContact CD2-CG2 4.31Å; L211-T251 HydrophobicContact CG-CG2 4.06Å; L211-L252 HydrophobicContact CD2-CD2 4.34Å; L211-N255 HydrophobicContact CD1-CB 4.46Å; L211-N255 HydrophobicContact CD2-CB 4Å; L211-L271 HydrophobicContact CD2-CD1 3.85Å; L211-L271 HydrophobicContact CD2-CD2 4.46Å; L211-L271 HydrophobicContact CD2-CG 4.44Å; L211-V275 HydrophobicContact CB-CG2 4.44Å; L211-V275 HydrophobicContact CD2-CG2 3.92Å; L211-V275 HydrophobicContact CG-CG2 4.32Å |
| 212 | C | 96.6 | Very high | 94.9 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 14% | 0.135 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 173.2 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | S208 I209 Y210 I215 S216 S274 V278 | S208-C212 VanDerWaalsContact O-CB 3.32Å; S208-C212 WeakPolarHBondContact O-CB 3.35Å; S208-C212 PolarHBondContact O-N 3.36Å; S208-C212 PolarHBondContact O-SG 3.21Å; I209-C212 PolarHBondContact O-N 3.33Å; Y210-C212 PolarHBondContact O-N 3.37Å; C212-I215 PolarHBondContact O-N 3.43Å; C212-S216 VanDerWaalsContact O-CB 3.31Å; C212-S216 WeakPolarHBondContact O-CB 3.37Å; C212-S216 PolarHBondContact O-N 3.41Å; C212-S216 PolarHBondContact O-OG 3.39Å; C212-S274 PolarHBondContact SG-O 2.72Å; C212-V278 HydrophobicContact CB-CG2 3.68Å |
| 213 | S | 95.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 41 Ų | 41 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | I209 Y210 L211 S216 N217 | I209-S213 PolarHBondContact O-N 3.34Å; Y210-S213 PolarHBondContact O-N 3.04Å; L211-S213 PolarHBondContact O-N 3.23Å; S213-S216 PolarHBondContact O-N 3.23Å; S213-N217 VanDerWaalsContact O-CG 3.29Å; S213-N217 PolarHBondContact O-N 2.94Å; S213-N217 PolarHBondContact O-ND2 3.21Å |
| 214 | Y | 95.1 | Very high | 94.5 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 176.1 | 174.6 | -106.5 | 0 | 0 | 0 | 111.6 | Y210 L211 K218 F247 T251 | Y210-Y214 WeakPolarHBondContact O-CB 3.43Å; Y210-Y214 PolarHBondContact O-N 3.39Å; L211-Y214 HydrophobicContact CD1-CD1 4.49Å; L211-Y214 PolarHBondContact O-N 3.4Å; Y214-K218 PolarHBondContact O-N 2.92Å; Y214-F247 HydrophobicContact CD1-CZ 4.22Å; Y214-F247 HydrophobicContact CE1-CE2 4.08Å; Y214-F247 AromaticContact CE1-CZ 3.67Å; Y214-F247 HydrophobicContact CE1-CZ 3.67Å; Y214-T251 HydrophobicContact CD1-CG2 4.34Å; Y214-T251 HydrophobicContact CE1-CG2 4.32Å |
| 215 | I | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -48.3 | 178.6 | -70.8 | 169 | 0 | 0 | 0 | 110.7 | L211 C212 N217 K218 C219 F247 V248 T251 V275 V278 | L211-I215 HydrophobicContact CG-CD1 4.04Å; L211-I215 WeakPolarHBondContact O-CB 3.41Å; L211-I215 VanDerWaalsContact O-CG1 3.24Å; L211-I215 WeakPolarHBondContact O-CG1 3.44Å; L211-I215 PolarHBondContact O-N 2.98Å; C212-I215 PolarHBondContact O-N 3.43Å; I215-N217 VanDerWaalsContact C-N 3.34Å; I215-N217 PolarHBondContact O-N 3.35Å; I215-K218 PolarHBondContact O-N 3.3Å; I215-K218 VanDerWaalsContact O-N 3.08Å; I215-C219 PolarHBondContact O-N 2.79Å; I215-C219 PolarHBondContact O-SG 3.23Å; I215-C219 VanDerWaalsContact O-SG 3.34Å; I215-F247 HydrophobicContact CB-CE1 4.27Å; I215-F247 HydrophobicContact CG1-CE1 4.03Å; I215-F247 HydrophobicContact CG1-CZ 4.43Å; I215-F247 HydrophobicContact CG2-CE1 4.23Å; I215-V248 HydrophobicContact CD1-CG1 4.32Å; I215-V248 HydrophobicContact CG2-CG2 3.72Å; I215-T251 HydrophobicContact CD1-CG2 4.07Å; I215-T251 HydrophobicContact CG1-CG2 4.12Å; I215-V275 HydrophobicContact CD1-CB 4.43Å; I215-V275 HydrophobicContact CD1-CG1 3.44Å; I215-V275 VanDerWaalsContact CD1-CG1 3.44Å; I215-V275 HydrophobicContact CD1-CG2 4.12Å; I215-V278 HydrophobicContact CG2-CG1 3.98Å |
| 216 | S | 96.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 44 Ų | 44 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.8 | -48.4 | 178.2 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | C212 S213 K218 C219 E220 V278 Y282 | C212-S216 VanDerWaalsContact O-CB 3.31Å; C212-S216 WeakPolarHBondContact O-CB 3.37Å; C212-S216 PolarHBondContact O-N 3.41Å; C212-S216 PolarHBondContact O-OG 3.39Å; S213-S216 PolarHBondContact O-N 3.23Å; S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.24Å; S216-C219 PolarHBondContact O-N 3.46Å; S216-E220 WeakPolarHBondContact O-CB 3.41Å; S216-E220 WeakPolarHBondContact O-CG 3.1Å; S216-E220 PolarHBondContact O-N 3.04Å; S216-V278 WeakPolarHBondContact OG-CG1 3.33Å; S216-Y282 WeakPolarHBondContact CA-OH 3.42Å; S216-Y282 WeakPolarHBondContact CB-OH 3.28Å; S216-Y282 PolarHBondContact O-OH 3.31Å; S216-Y282 PolarHBondContact OG-OH 3.12Å |
| 217 | N | 95.2 | Very high | 92.3 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -39.7 | 178.4 | -72.9 | -44.3 | 0 | 0 | 0 | 112.2 | S213 I215 L221 | S213-N217 VanDerWaalsContact O-CG 3.29Å; S213-N217 PolarHBondContact O-N 2.94Å; S213-N217 PolarHBondContact O-ND2 3.21Å; I215-N217 VanDerWaalsContact C-N 3.34Å; I215-N217 PolarHBondContact O-N 3.35Å; N217-L221 PolarHBondContact O-N 2.83Å |
| 218 | K | 94.9 | Very high | 90.6 | Very high | 83 Ų | 83 | 52 Ų | 52 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.1 | -44.8 | 178.4 | -175.7 | 65.6 | 174.5 | 177.3 | 0 | 111.3 | Y214 I215 S216 E220 L221 L222 F247 | Y214-K218 PolarHBondContact O-N 2.92Å; I215-K218 PolarHBondContact O-N 3.3Å; I215-K218 VanDerWaalsContact O-N 3.08Å; S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.24Å; K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 PolarHBondContact O-N 3.37Å; K218-L221 WeakPolarHBondContact O-CB 3.24Å; K218-L221 PolarHBondContact O-N 3.42Å; K218-L222 WeakPolarHBondContact O-CG 3.35Å; K218-L222 PolarHBondContact O-N 3.13Å; K218-F247 HydrophobicContact CB-CD1 4.34Å; K218-F247 HydrophobicContact CB-CE1 3.57Å; K218-F247 HydrophobicContact CB-CE2 4.4Å; K218-F247 HydrophobicContact CB-CZ 3.62Å; K218-F247 HydrophobicContact CG-CD1 3.94Å; K218-F247 HydrophobicContact CG-CD2 4.2Å; K218-F247 HydrophobicContact CG-CE1 3.59Å; K218-F247 HydrophobicContact CG-CE2 3.86Å; K218-F247 HydrophobicContact CG-CG 4.24Å; K218-F247 HydrophobicContact CG-CZ 3.55Å |
| 219 | C | 94.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.8 | -68 | 0 | 0 | 0 | 0 | 111.9 | I215 S216 L222 I223 Y282 | I215-C219 PolarHBondContact O-N 2.79Å; I215-C219 PolarHBondContact O-SG 3.23Å; I215-C219 VanDerWaalsContact O-SG 3.34Å; S216-C219 PolarHBondContact O-N 3.46Å; C219-L222 PolarHBondContact O-N 3.21Å; C219-I223 WeakPolarHBondContact O-CG1 3.22Å; C219-I223 PolarHBondContact O-N 3.03Å; C219-Y282 HydrophobicContact CB-CD1 3.88Å; C219-Y282 HydrophobicContact CB-CD2 3.72Å; C219-Y282 HydrophobicContact CB-CE1 4.07Å; C219-Y282 HydrophobicContact CB-CE2 3.94Å; C219-Y282 HydrophobicContact CB-CG 3.7Å |
| 220 | E | 94.4 | Very high | 86.6 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 43% | 0.425 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 174.7 | -77.5 | 174.8 | -166.9 | 0 | 0 | 111.8 | S216 K218 L222 I223 T224 Y282 | S216-E220 WeakPolarHBondContact O-CB 3.41Å; S216-E220 WeakPolarHBondContact O-CG 3.1Å; S216-E220 PolarHBondContact O-N 3.04Å; K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 PolarHBondContact O-N 3.37Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 2.76Å; E220-I223 PolarHBondContact O-N 3.04Å; E220-T224 WeakPolarHBondContact O-CG2 3.45Å; E220-T224 PolarHBondContact O-N 2.86Å; E220-T224 PolarHBondContact O-OG1 3.47Å; E220-T224 VanDerWaalsContact O-OG1 3.09Å; E220-Y282 HydrophobicContact CG-CE1 3.67Å; E220-Y282 WeakPolarHBondContact CG-OH 3.47Å; E220-Y282 PolarHBondContact OE1-OH 3.29Å |
| 221 | L | 93.8 | Very high | 84.3 | Confident | 95 Ų | 95 | 63 Ų | 63 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 176.7 | -175 | 71.2 | 0 | 0 | 0 | 111.9 | N217 K218 T224 T225 | N217-L221 PolarHBondContact O-N 2.83Å; K218-L221 WeakPolarHBondContact O-CB 3.24Å; K218-L221 PolarHBondContact O-N 3.42Å; L221-T224 WeakPolarHBondContact CA-OG1 3.06Å; L221-T224 PolarHBondContact O-N 2.82Å; L221-T224 PolarHBondContact O-OG1 3.18Å; L221-T225 WeakPolarHBondContact O-CB 3.47Å; L221-T225 PolarHBondContact O-N 3.33Å; L221-T225 PolarHBondContact O-OG1 2.89Å |
| 222 | L | 92.2 | Very high | 82.1 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 177.4 | -68.9 | 179.4 | 0 | 0 | 0 | 111.1 | K218 C219 E220 T224 T225 N226 L240 E243 I244 | K218-L222 WeakPolarHBondContact O-CG 3.35Å; K218-L222 PolarHBondContact O-N 3.13Å; C219-L222 PolarHBondContact O-N 3.21Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 2.76Å; L222-T224 PolarHBondContact O-N 3.02Å; L222-T225 PolarHBondContact O-N 3.21Å; L222-N226 WeakPolarHBondContact O-CB 3.32Å; L222-N226 PolarHBondContact O-N 3.49Å; L222-L240 HydrophobicContact CB-CD1 3.86Å; L222-E243 HydrophobicContact CD1-CG 4Å; L222-E243 HydrophobicContact CD2-CG 4.33Å; L222-E243 WeakPolarHBondContact CD2-OE1 3.33Å; L222-I244 HydrophobicContact CD1-CG1 4.06Å |
| 223 | I | 89.2 | Confident | 80.3 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 9% | 0.087 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 179.2 | -67.9 | 166.6 | 0 | 0 | 0 | 111.3 | C219 E220 K227 L240 I244 Y282 V286 | C219-I223 WeakPolarHBondContact O-CG1 3.22Å; C219-I223 PolarHBondContact O-N 3.03Å; E220-I223 PolarHBondContact O-N 3.04Å; I223-K227 WeakPolarHBondContact O-CG 3.34Å; I223-K227 PolarHBondContact O-N 3Å; I223-L240 HydrophobicContact CG1-CD2 4.12Å; I223-I244 HydrophobicContact CG1-CD1 4.37Å; I223-Y282 HydrophobicContact CD1-CD1 3.56Å; I223-Y282 HydrophobicContact CD1-CE1 4.3Å; I223-Y282 HydrophobicContact CD1-CG 4.45Å; I223-V286 HydrophobicContact CD1-CG2 4.27Å; I223-V286 HydrophobicContact CG1-CG2 4.21Å |
| 224 | T | 88.7 | Confident | 78.7 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 179.1 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | E220 L221 L222 K227 | E220-T224 WeakPolarHBondContact O-CG2 3.45Å; E220-T224 PolarHBondContact O-N 2.86Å; E220-T224 PolarHBondContact O-OG1 3.47Å; E220-T224 VanDerWaalsContact O-OG1 3.09Å; L221-T224 WeakPolarHBondContact CA-OG1 3.06Å; L221-T224 PolarHBondContact O-N 2.82Å; L221-T224 PolarHBondContact O-OG1 3.18Å; L222-T224 PolarHBondContact O-N 3.02Å; T224-K227 PolarHBondContact O-N 3.11Å |
| 225 | T | 85.9 | Confident | 77.8 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 111 | L221 L222 K227 S228 | L221-T225 WeakPolarHBondContact O-CB 3.47Å; L221-T225 PolarHBondContact O-N 3.33Å; L221-T225 PolarHBondContact O-OG1 2.89Å; L222-T225 PolarHBondContact O-N 3.21Å; T225-K227 VanDerWaalsContact C-N 3.28Å; T225-K227 PolarHBondContact O-N 3.49Å; T225-S228 PolarHBondContact O-N 2.94Å; T225-S228 PolarHBondContact O-OG 3.48Å |
| 226 | N | 80.8 | Confident | 77.2 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.4 | -27.9 | 176.2 | -119.4 | -66.3 | 0 | 0 | 0 | 113.1 | L222 S228 S229 V236 L240 | L222-N226 WeakPolarHBondContact O-CB 3.32Å; L222-N226 PolarHBondContact O-N 3.49Å; N226-S228 VanDerWaalsContact C-N 3.27Å; N226-S228 PolarHBondContact O-N 2.95Å; N226-S229 PolarHBondContact O-N 3.39Å; N226-S229 PolarHBondContact O-OG 3.39Å; N226-V236 WeakPolarHBondContact OD1-CG1 3.49Å; N226-L240 HydrophobicContact CB-CD2 4.14Å |
| 227 | K | 70.9 | Confident | 76.7 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.2 | -30.8 | 175.4 | -75.8 | 175.8 | -177.3 | 178.6 | 0 | 112.7 | I223 T224 T225 | I223-K227 WeakPolarHBondContact O-CG 3.34Å; I223-K227 PolarHBondContact O-N 3Å; T224-K227 PolarHBondContact O-N 3.11Å; T225-K227 VanDerWaalsContact C-N 3.28Å; T225-K227 PolarHBondContact O-N 3.49Å |
| 228 | S | 60 | Low | 76.5 | Confident | 101 Ų | 101 | 71 Ų | 71 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -83.1 | -20.1 | -178.8 | 32.2 | 0 | 0 | 0 | 0 | 114.5 | T225 N226 | T225-S228 PolarHBondContact O-N 2.94Å; T225-S228 PolarHBondContact O-OG 3.48Å; N226-S228 VanDerWaalsContact C-N 3.27Å; N226-S228 PolarHBondContact O-N 2.95Å |
| 229 | S | 58.9 | Low | 76.2 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 53% | 0.531 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 17.3 | -175.6 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | N226 Q231 | N226-S229 PolarHBondContact O-N 3.39Å; N226-S229 PolarHBondContact O-OG 3.39Å; S229-Q231 PolarHBondContact O-N 3.45Å |
| 230 | S | 48.4 | Very low | 76.1 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 62% | 0.615 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 41.4 | -166 | 62.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 231 | Q | 46.5 | Very low | 76.1 | Confident | 187 Ų | 187 | 66.8 Ų | 66.8 | 87% | 0.874 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -7.6 | -178.5 | -82.9 | -170.4 | -13.8 | 0 | 0 | 117.8 | S229 | S229-Q231 PolarHBondContact O-N 3.45Š|
| 232 | S | 49.8 | Very low | 76.1 | Confident | 121 Ų | 121 | 63.4 Ų | 63.4 | 85% | 0.846 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -164.8 | 13.9 | -177.2 | 66.5 | 0 | 0 | 0 | 0 | 120.3 | ||
| 233 | S | 57.8 | Low | 76.2 | Confident | 67 Ų | 67 | 66.9 Ų | 66.9 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | trans | -102.7 | 118.3 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | V236 | S233-V236 WeakPolarHBondContact O-CG2 3.48Š| ||
| 234 | E | 63.2 | Low | 76.5 | Confident | 139 Ų | 139 | 66 Ų | 66 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 142.2 | 151.8 | -71.6 | 174.8 | 148.2 | 0 | 0 | 107.2 | ||
| 235 | F | 75.8 | Confident | 76.9 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 28.6 | 175.1 | -40.6 | -71.6 | 0 | 0 | 0 | 118.6 | S237 A238 N239 P344 V347 E348 | F235-S237 VanDerWaalsContact C-N 3.31Å; F235-S237 PolarHBondContact O-N 3.38Å; F235-A238 HydrophobicContact CB-CB 4.45Å; F235-A238 PolarHBondContact O-N 2.98Å; F235-N239 WeakPolarHBondContact O-CB 3.38Å; F235-N239 PolarHBondContact O-N 3.22Å; F235-N239 PolarHBondContact O-ND2 3Å; F235-P344 VanDerWaalsContact CE1-O 3.25Å; F235-P344 WeakPolarHBondContact CE1-O 3.19Å; F235-V347 HydrophobicContact CD1-CG1 4.36Å; F235-V347 HydrophobicContact CE1-CB 3.69Å; F235-V347 HydrophobicContact CE1-CG1 3.5Å; F235-V347 HydrophobicContact CZ-CB 4.1Å; F235-V347 HydrophobicContact CZ-CG1 3.72Å; F235-E348 VanDerWaalsContact CA-CD 3.41Å; F235-E348 WeakPolarHBondContact CA-OE1 3.31Å; F235-E348 HydrophobicContact CB-CG 4.26Å; F235-E348 HydrophobicContact CD1-CB 3.58Å; F235-E348 HydrophobicContact CD1-CG 3.9Å; F235-E348 HydrophobicContact CE1-CB 4.13Å |
| 236 | V | 82.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.5 | -43.5 | -177 | -177 | 0 | 0 | 0 | 0 | 113.4 | N226 S233 L240 E348 | N226-V236 WeakPolarHBondContact OD1-CG1 3.49Å; S233-V236 WeakPolarHBondContact O-CG2 3.48Å; V236-L240 WeakPolarHBondContact O-CB 3.3Å; V236-L240 PolarHBondContact O-N 3.46Å; V236-L240 VanDerWaalsContact O-N 3.12Å; V236-E348 PolarHBondContact N-OE1 2.88Å |
| 237 | S | 87.2 | Confident | 78.1 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.9 | -41.8 | -174 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | F235 L240 I241 E348 | F235-S237 VanDerWaalsContact C-N 3.31Å; F235-S237 PolarHBondContact O-N 3.38Å; S237-L240 PolarHBondContact O-N 3.37Å; S237-I241 WeakPolarHBondContact O-CB 3.21Å; S237-I241 WeakPolarHBondContact O-CG1 3.36Å; S237-I241 PolarHBondContact O-N 3.25Å; S237-E348 WeakPolarHBondContact CA-OE1 3.38Å; S237-E348 WeakPolarHBondContact CB-OE1 3.43Å; S237-E348 PolarHBondContact N-OE1 3.04Å |
| 238 | A | 90 | Very high | 79.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F235 I241 T242 E348 Q351 I352 | F235-A238 HydrophobicContact CB-CB 4.45Å; F235-A238 PolarHBondContact O-N 2.98Å; A238-I241 PolarHBondContact O-N 3.42Å; A238-T242 WeakPolarHBondContact O-CB 3.32Å; A238-T242 PolarHBondContact O-N 3.43Å; A238-T242 PolarHBondContact O-OG1 2.96Å; A238-E348 HydrophobicContact CB-CG 3.57Å; A238-E348 PolarHBondContact N-OE1 3.01Å; A238-E348 VanDerWaalsContact N-OE1 3.1Å; A238-Q351 HydrophobicContact CB-CB 3.87Å; A238-Q351 HydrophobicContact CB-CG 3.77Å; A238-I352 HydrophobicContact CB-CG1 3.82Å |
| 239 | N | 90.5 | Very high | 81 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.6 | -70.3 | -21.6 | 0 | 0 | 0 | 111.2 | F235 T242 E243 | F235-N239 WeakPolarHBondContact O-CB 3.38Å; F235-N239 PolarHBondContact O-N 3.22Å; F235-N239 PolarHBondContact O-ND2 3Å; N239-T242 PolarHBondContact O-N 3.45Å; N239-E243 WeakPolarHBondContact O-CB 3.4Å; N239-E243 PolarHBondContact O-N 3.39Å |
| 240 | L | 92.5 | Very high | 82.8 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 177.5 | 178.4 | 58.5 | 0 | 0 | 0 | 112.7 | L222 I223 N226 V236 S237 T242 E243 I244 V286 | L222-L240 HydrophobicContact CB-CD1 3.86Å; I223-L240 HydrophobicContact CG1-CD2 4.12Å; N226-L240 HydrophobicContact CB-CD2 4.14Å; V236-L240 WeakPolarHBondContact O-CB 3.3Å; V236-L240 PolarHBondContact O-N 3.46Å; V236-L240 VanDerWaalsContact O-N 3.12Å; S237-L240 PolarHBondContact O-N 3.37Å; L240-T242 VanDerWaalsContact C-N 3.34Å; L240-E243 PolarHBondContact O-N 3.01Å; L240-I244 HydrophobicContact CD1-CD1 4.06Å; L240-I244 HydrophobicContact CD1-CG1 4.33Å; L240-I244 HydrophobicContact CG-CD1 4.06Å; L240-I244 VanDerWaalsContact O-CG1 3.28Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 2.96Å; L240-V286 HydrophobicContact CB-CG1 4.42Å; L240-V286 HydrophobicContact CD2-CG1 3.98Å; L240-V286 HydrophobicContact CD2-CG2 3.72Å; L240-V286 HydrophobicContact CG-CG1 4.31Å; L240-V286 HydrophobicContact CG-CG2 4.07Å |
| 241 | I | 93.6 | Very high | 85 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.1 | -71.4 | 168.5 | 0 | 0 | 0 | 110 | S237 A238 E243 I244 L245 V283 V286 V287 I352 | S237-I241 WeakPolarHBondContact O-CB 3.21Å; S237-I241 WeakPolarHBondContact O-CG1 3.36Å; S237-I241 PolarHBondContact O-N 3.25Å; A238-I241 PolarHBondContact O-N 3.42Å; I241-E243 PolarHBondContact O-N 2.9Å; I241-I244 PolarHBondContact O-N 2.88Å; I241-L245 HydrophobicContact CG2-CD1 3.69Å; I241-L245 HydrophobicContact CG2-CG 4.09Å; I241-L245 WeakPolarHBondContact O-CB 3.24Å; I241-L245 VanDerWaalsContact O-CG 3.26Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 3.14Å; I241-V283 HydrophobicContact CD1-CG1 4.16Å; I241-V283 HydrophobicContact CG1-CG1 4.31Å; I241-V283 HydrophobicContact CG2-CG1 4.29Å; I241-V283 HydrophobicContact CG2-CG2 4.44Å; I241-V286 HydrophobicContact CD1-CB 4.19Å; I241-V286 HydrophobicContact CD1-CG1 3.9Å; I241-V286 HydrophobicContact CG1-CB 3.89Å; I241-V286 HydrophobicContact CG1-CG1 3.65Å; I241-V287 HydrophobicContact CD1-CG2 3.77Å; I241-I352 HydrophobicContact CD1-CD1 4.1Å; I241-I352 HydrophobicContact CD1-CG1 3.97Å; I241-I352 HydrophobicContact CD1-CG2 3.87Å |
| 242 | T | 94 | Very high | 87.3 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | A238 N239 L240 I244 L245 E246 | A238-T242 WeakPolarHBondContact O-CB 3.32Å; A238-T242 PolarHBondContact O-N 3.43Å; A238-T242 PolarHBondContact O-OG1 2.96Å; N239-T242 PolarHBondContact O-N 3.45Å; L240-T242 VanDerWaalsContact C-N 3.34Å; T242-I244 VanDerWaalsContact C-N 3.35Å; T242-I244 PolarHBondContact O-N 3.42Å; T242-L245 PolarHBondContact O-N 3.4Å; T242-E246 HydrophobicContact CG2-CG 4.26Å; T242-E246 WeakPolarHBondContact O-CB 3.39Å; T242-E246 WeakPolarHBondContact O-CG 3.42Å; T242-E246 PolarHBondContact O-N 3.09Å |
| 243 | E | 94.5 | Very high | 89.5 | Confident | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 179 | -167.8 | 179.6 | -176.2 | 0 | 0 | 112.3 | L222 N239 L240 I241 F247 | L222-E243 HydrophobicContact CD1-CG 4Å; L222-E243 HydrophobicContact CD2-CG 4.33Å; L222-E243 WeakPolarHBondContact CD2-OE1 3.33Å; N239-E243 WeakPolarHBondContact O-CB 3.4Å; N239-E243 PolarHBondContact O-N 3.39Å; L240-E243 PolarHBondContact O-N 3.01Å; I241-E243 PolarHBondContact O-N 2.9Å; E243-F247 VanDerWaalsContact O-CB 3.26Å; E243-F247 WeakPolarHBondContact O-CB 3.18Å; E243-F247 PolarHBondContact O-N 3.4Å; E243-F247 VanDerWaalsContact O-N 3.07Å |
| 244 | I | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 175.1 | -72.1 | 166.8 | 0 | 0 | 0 | 110.9 | L222 I223 L240 I241 T242 F247 V248 V286 | L222-I244 HydrophobicContact CD1-CG1 4.06Å; I223-I244 HydrophobicContact CG1-CD1 4.37Å; L240-I244 HydrophobicContact CD1-CD1 4.06Å; L240-I244 HydrophobicContact CD1-CG1 4.33Å; L240-I244 HydrophobicContact CG-CD1 4.06Å; L240-I244 VanDerWaalsContact O-CG1 3.28Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 2.96Å; I241-I244 PolarHBondContact O-N 2.88Å; T242-I244 VanDerWaalsContact C-N 3.35Å; T242-I244 PolarHBondContact O-N 3.42Å; I244-F247 PolarHBondContact O-N 2.77Å; I244-V248 HydrophobicContact CG2-CG2 4.43Å; I244-V248 WeakPolarHBondContact O-CG2 3.44Å; I244-V248 PolarHBondContact O-N 3.26Å; I244-V286 HydrophobicContact CD1-CG2 4.1Å |
| 245 | L | 96.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.5 | -40.8 | -176 | -69.4 | 179.5 | 0 | 0 | 0 | 112.1 | I241 T242 V248 A249 V279 V283 C355 Y359 | I241-L245 HydrophobicContact CG2-CD1 3.69Å; I241-L245 HydrophobicContact CG2-CG 4.09Å; I241-L245 WeakPolarHBondContact O-CB 3.24Å; I241-L245 VanDerWaalsContact O-CG 3.26Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 3.14Å; T242-L245 PolarHBondContact O-N 3.4Å; L245-V248 PolarHBondContact O-N 3.43Å; L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 3.21Å; L245-V279 HydrophobicContact CD2-CG1 3.5Å; L245-V283 HydrophobicContact CD2-CG2 4.06Å; L245-C355 HydrophobicContact CD1-CB 4.32Å; L245-Y359 HydrophobicContact CD2-CD1 3.85Å; L245-Y359 HydrophobicContact CD2-CD2 4.11Å; L245-Y359 HydrophobicContact CD2-CE1 4.32Å; L245-Y359 HydrophobicContact CD2-CG 3.74Å |
| 246 | E | 95.7 | Very high | 93.3 | Very high | 122 Ų | 122 | 36.1 Ų | 36.1 | 57% | 0.57 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.8 | -47.7 | 175 | -74.5 | -177.7 | 169.8 | 0 | 0 | 111 | T242 V248 A249 D250 | T242-E246 HydrophobicContact CG2-CG 4.26Å; T242-E246 WeakPolarHBondContact O-CB 3.39Å; T242-E246 WeakPolarHBondContact O-CG 3.42Å; T242-E246 PolarHBondContact O-N 3.09Å; E246-V248 VanDerWaalsContact C-N 3.34Å; E246-V248 PolarHBondContact O-N 3.35Å; E246-A249 PolarHBondContact O-N 2.83Å; E246-D250 PolarHBondContact O-N 3Å |
| 247 | F | 96.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 177 | 166.2 | -106.4 | 0 | 0 | 0 | 112.2 | Y214 I215 K218 E243 I244 T251 | Y214-F247 HydrophobicContact CD1-CZ 4.22Å; Y214-F247 HydrophobicContact CE1-CE2 4.08Å; Y214-F247 AromaticContact CE1-CZ 3.67Å; Y214-F247 HydrophobicContact CE1-CZ 3.67Å; I215-F247 HydrophobicContact CB-CE1 4.27Å; I215-F247 HydrophobicContact CG1-CE1 4.03Å; I215-F247 HydrophobicContact CG1-CZ 4.43Å; I215-F247 HydrophobicContact CG2-CE1 4.23Å; K218-F247 HydrophobicContact CB-CD1 4.34Å; K218-F247 HydrophobicContact CB-CE1 3.57Å; K218-F247 HydrophobicContact CB-CE2 4.4Å; K218-F247 HydrophobicContact CB-CZ 3.62Å; K218-F247 HydrophobicContact CG-CD1 3.94Å; K218-F247 HydrophobicContact CG-CD2 4.2Å; K218-F247 HydrophobicContact CG-CE1 3.59Å; K218-F247 HydrophobicContact CG-CE2 3.86Å; K218-F247 HydrophobicContact CG-CG 4.24Å; K218-F247 HydrophobicContact CG-CZ 3.55Å; E243-F247 VanDerWaalsContact O-CB 3.26Å; E243-F247 WeakPolarHBondContact O-CB 3.18Å; E243-F247 PolarHBondContact O-N 3.4Å; E243-F247 VanDerWaalsContact O-N 3.07Å; I244-F247 PolarHBondContact O-N 2.77Å; F247-T251 WeakPolarHBondContact CE2-OG1 3.3Å; F247-T251 VanDerWaalsContact O-CB 3.27Å; F247-T251 WeakPolarHBondContact O-CB 3.45Å; F247-T251 PolarHBondContact O-N 2.86Å; F247-T251 PolarHBondContact O-OG1 3.49Å |
| 248 | V | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | I215 I244 L245 E246 T251 L252 V275 V279 Y359 | I215-V248 HydrophobicContact CD1-CG1 4.32Å; I215-V248 HydrophobicContact CG2-CG2 3.72Å; I244-V248 HydrophobicContact CG2-CG2 4.43Å; I244-V248 WeakPolarHBondContact O-CG2 3.44Å; I244-V248 PolarHBondContact O-N 3.26Å; L245-V248 PolarHBondContact O-N 3.43Å; E246-V248 VanDerWaalsContact C-N 3.34Å; E246-V248 PolarHBondContact O-N 3.35Å; V248-T251 PolarHBondContact O-N 3.39Å; V248-L252 HydrophobicContact CG1-CD1 3.92Å; V248-L252 HydrophobicContact CG1-CG 4.28Å; V248-L252 WeakPolarHBondContact O-CB 3.01Å; V248-L252 PolarHBondContact O-N 2.83Å; V248-V275 HydrophobicContact CG1-CG1 3.61Å; V248-V279 HydrophobicContact CB-CG2 4.1Å; V248-V279 HydrophobicContact CG1-CG2 3.61Å; V248-V279 HydrophobicContact CG2-CG2 3.83Å; V248-Y359 HydrophobicContact CB-CE2 4.5Å; V248-Y359 HydrophobicContact CG1-CE2 4.06Å |
| 249 | A | 95.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L245 E246 L252 K253 Y359 F362 | L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 3.21Å; E246-A249 PolarHBondContact O-N 2.83Å; A249-L252 PolarHBondContact O-N 3.12Å; A249-K253 VanDerWaalsContact O-CB 3.27Å; A249-K253 WeakPolarHBondContact O-CB 3.46Å; A249-K253 PolarHBondContact O-N 2.82Å; A249-Y359 HydrophobicContact CB-CD2 4.36Å; A249-F362 HydrophobicContact CB-CD1 4Å; A249-F362 HydrophobicContact CB-CE1 3.88Å |
| 250 | D | 96 | Very high | 94.1 | Very high | 96 Ų | 96 | 39.8 Ų | 39.8 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.4 | -84 | -16.7 | 0 | 0 | 0 | 111.9 | E246 K253 N254 | E246-D250 PolarHBondContact O-N 3Å; D250-K253 PolarHBondContact O-N 3.18Å; D250-N254 PolarHBondContact O-N 3.15Å; D250-N254 PolarHBondContact O-ND2 2.93Å |
| 251 | T | 95.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.1 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | L211 Y214 I215 F247 V248 N255 | L211-T251 HydrophobicContact CD1-CG2 3.56Å; L211-T251 HydrophobicContact CD2-CG2 4.31Å; L211-T251 HydrophobicContact CG-CG2 4.06Å; Y214-T251 HydrophobicContact CD1-CG2 4.34Å; Y214-T251 HydrophobicContact CE1-CG2 4.32Å; I215-T251 HydrophobicContact CD1-CG2 4.07Å; I215-T251 HydrophobicContact CG1-CG2 4.12Å; F247-T251 WeakPolarHBondContact CE2-OG1 3.3Å; F247-T251 VanDerWaalsContact O-CB 3.27Å; F247-T251 WeakPolarHBondContact O-CB 3.45Å; F247-T251 PolarHBondContact O-N 2.86Å; F247-T251 PolarHBondContact O-OG1 3.49Å; V248-T251 PolarHBondContact O-N 3.39Å; T251-N255 WeakPolarHBondContact O-CB 3.32Å; T251-N255 PolarHBondContact O-N 2.98Å; T251-N255 PolarHBondContact O-ND2 3.37Å |
| 252 | L | 95.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.1 | -82.3 | 175.2 | 0 | 0 | 0 | 112.1 | L211 V248 A249 S256 L271 V272 V275 I363 | L211-L252 HydrophobicContact CD2-CD2 4.34Å; V248-L252 HydrophobicContact CG1-CD1 3.92Å; V248-L252 HydrophobicContact CG1-CG 4.28Å; V248-L252 WeakPolarHBondContact O-CB 3.01Å; V248-L252 PolarHBondContact O-N 2.83Å; A249-L252 PolarHBondContact O-N 3.12Å; L252-S256 WeakPolarHBondContact O-CA 3.43Å; L252-S256 WeakPolarHBondContact O-CB 3.47Å; L252-S256 PolarHBondContact O-N 3.15Å; L252-S256 PolarHBondContact O-OG 2.91Å; L252-L271 HydrophobicContact CD2-CG 4.33Å; L252-V272 HydrophobicContact CD2-CG2 4.18Å; L252-V275 HydrophobicContact CD1-CB 4.4Å; L252-V275 HydrophobicContact CD1-CG1 3.88Å; L252-V275 HydrophobicContact CD2-CB 3.96Å; L252-V275 HydrophobicContact CD2-CG1 4Å; L252-V275 HydrophobicContact CD2-CG2 3.9Å; L252-V275 HydrophobicContact CG-CB 4.44Å; L252-V275 HydrophobicContact CG-CG1 3.94Å; L252-I363 HydrophobicContact CD1-CG2 4.22Å |
| 253 | K | 94.4 | Very high | 93.7 | Very high | 112 Ų | 112 | 46.9 Ų | 46.9 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 178.3 | -176 | -179.1 | 175.8 | -173.9 | 0 | 111.3 | A249 D250 S256 M257 F362 | A249-K253 VanDerWaalsContact O-CB 3.27Å; A249-K253 WeakPolarHBondContact O-CB 3.46Å; A249-K253 PolarHBondContact O-N 2.82Å; D250-K253 PolarHBondContact O-N 3.18Å; K253-S256 PolarHBondContact O-OG 3.48Å; K253-M257 PolarHBondContact O-N 2.71Å; K253-F362 HydrophobicContact CB-CZ 4.09Å |
| 254 | N | 92.8 | Very high | 93.3 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66 | -46.6 | -179.8 | -66.1 | -21.7 | 0 | 0 | 0 | 111.4 | D250 M257 H258 | D250-N254 PolarHBondContact O-N 3.15Å; D250-N254 PolarHBondContact O-ND2 2.93Å; N254-M257 WeakPolarHBondContact O-CB 3.16Å; N254-M257 PolarHBondContact O-N 3.25Å; N254-H258 PolarHBondContact O-CD2 3.47Å |
| 255 | N | 93.1 | Very high | 93 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.5 | -31.2 | -176.2 | -72.9 | -77.5 | 0 | 0 | 0 | 113.1 | F207 L211 T251 M257 H258 V259 | F207-N255 HydrophobicContact CE1-CB 3.95Å; F207-N255 HydrophobicContact CZ-CB 4.1Å; F207-N255 WeakPolarHBondContact CZ-OD1 3.36Å; L211-N255 HydrophobicContact CD1-CB 4.46Å; L211-N255 HydrophobicContact CD2-CB 4Å; T251-N255 WeakPolarHBondContact O-CB 3.32Å; T251-N255 PolarHBondContact O-N 2.98Å; T251-N255 PolarHBondContact O-ND2 3.37Å; N255-M257 VanDerWaalsContact C-N 3.31Å; N255-M257 PolarHBondContact O-N 2.79Å; N255-H258 PolarHBondContact O-N 3.03Å; N255-V259 PolarHBondContact O-N 3.04Å; N255-V259 VanDerWaalsContact O-N 3.13Å |
| 256 | S | 91.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -34.2 | 173.3 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | L252 K253 H258 V259 E260 R366 | L252-S256 WeakPolarHBondContact O-CA 3.43Å; L252-S256 WeakPolarHBondContact O-CB 3.47Å; L252-S256 PolarHBondContact O-N 3.15Å; L252-S256 PolarHBondContact O-OG 2.91Å; K253-S256 PolarHBondContact O-OG 3.48Å; S256-H258 VanDerWaalsContact C-N 3.29Å; S256-H258 PolarHBondContact O-N 3.42Å; S256-V259 PolarHBondContact O-N 3.27Å; S256-E260 WeakPolarHBondContact O-CG 3.32Å; S256-E260 PolarHBondContact O-N 3.26Å; S256-R366 PolarHBondContact OG-NE 3.43Å; S256-R366 VanDerWaalsContact OG-NE 3.08Å; S256-R366 PolarHBondContact OG-NH2 3.36Å |
| 257 | M | 91.8 | Very high | 92.2 | Very high | 111 Ų | 111 | 42.8 Ų | 42.8 | 55% | 0.547 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 174.1 | -176.1 | -171.8 | -71.5 | 0 | 0 | 111.2 | K253 N254 N255 T261 | K253-M257 PolarHBondContact O-N 2.71Å; N254-M257 WeakPolarHBondContact O-CB 3.16Å; N254-M257 PolarHBondContact O-N 3.25Å; N255-M257 VanDerWaalsContact C-N 3.31Å; N255-M257 PolarHBondContact O-N 2.79Å; M257-T261 WeakPolarHBondContact O-CB 3.45Å; M257-T261 PolarHBondContact O-N 3.39Å; M257-T261 PolarHBondContact O-OG1 3.06Å |
| 258 | H | 91.7 | Very high | 92 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.8 | -63.1 | -47.2 | 0 | 0 | 0 | 112.3 | V188 N254 N255 S256 T261 Y262 | V188-H258 HydrophobicContact CG1-CB 3.83Å; N254-H258 PolarHBondContact O-CD2 3.47Å; N255-H258 PolarHBondContact O-N 3.03Å; S256-H258 VanDerWaalsContact C-N 3.29Å; S256-H258 PolarHBondContact O-N 3.42Å; H258-T261 PolarHBondContact O-N 3.26Å; H258-Y262 HydrophobicContact CB-CD2 4.41Å; H258-Y262 HydrophobicContact CB-CE2 4.41Å; H258-Y262 WeakPolarHBondContact O-CD2 3.27Å; H258-Y262 PolarHBondContact O-N 2.98Å |
| 259 | V | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 176.4 | 176 | 0 | 0 | 0 | 0 | 111.2 | L191 F207 N255 S256 T261 Y262 C263 N267 L271 | L191-V259 HydrophobicContact CD1-CG2 4.36Å; F207-V259 HydrophobicContact CD1-CG2 4.28Å; F207-V259 HydrophobicContact CE1-CG2 4.18Å; N255-V259 PolarHBondContact O-N 3.04Å; N255-V259 VanDerWaalsContact O-N 3.13Å; S256-V259 PolarHBondContact O-N 3.27Å; V259-T261 VanDerWaalsContact C-N 3.31Å; V259-T261 PolarHBondContact O-N 2.97Å; V259-Y262 PolarHBondContact O-N 3.32Å; V259-C263 HydrophobicContact CG1-CB 4.16Å; V259-C263 WeakPolarHBondContact O-CA 3.08Å; V259-C263 VanDerWaalsContact O-CB 3.24Å; V259-C263 WeakPolarHBondContact O-CB 3.42Å; V259-C263 PolarHBondContact O-N 2.9Å; V259-N267 HydrophobicContact CG1-CB 3.93Å; V259-L271 HydrophobicContact CG2-CD2 3.89Å |
| 260 | E | 90.9 | Very high | 91.5 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 174.9 | -75.3 | 173.5 | 165.3 | 0 | 0 | 111.6 | S256 G264 I268 R366 | S256-E260 WeakPolarHBondContact O-CG 3.32Å; S256-E260 PolarHBondContact O-N 3.26Å; E260-G264 WeakPolarHBondContact O-CA 2.98Å; E260-G264 PolarHBondContact O-N 2.9Å; E260-I268 VanDerWaalsContact CD-CD1 3.47Å; E260-I268 HydrophobicContact CG-CD1 3.31Å; E260-I268 HydrophobicContact CG-CG1 4Å; E260-I268 WeakPolarHBondContact OE1-CD1 3.49Å; E260-R366 IonicContact OE1-CZ 3.51Å; E260-R366 IonicContact OE1-NH1 3.09Å; E260-R366 PolarHBondContact OE1-NH1 2.92Å; E260-R366 IonicContact OE1-NH2 2.76Å; E260-R366 PolarHBondContact OE1-NH2 2.96Å; E260-R366 IonicContact OE2-CZ 3.82Å; E260-R366 IonicContact OE2-NH1 3.99Å; E260-R366 PolarHBondContact OE2-NH1 3.31Å; E260-R366 IonicContact OE2-NH2 3.69Å; E260-R366 PolarHBondContact OE2-NH2 3Å |
| 261 | T | 91.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 39 Ų | 39 | 58% | 0.577 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -65.6 | -41.9 | -176.7 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | M257 H258 V259 | M257-T261 WeakPolarHBondContact O-CB 3.45Å; M257-T261 PolarHBondContact O-N 3.39Å; M257-T261 PolarHBondContact O-OG1 3.06Å; H258-T261 PolarHBondContact O-N 3.26Å; V259-T261 VanDerWaalsContact C-N 3.31Å; V259-T261 PolarHBondContact O-N 2.97Å |
| 262 | Y | 90.2 | Very high | 91.4 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -101.4 | -34.9 | -171.5 | -61.9 | -52.7 | 0 | 0 | 0 | 114.4 | V188 K192 F195 H258 V259 | V188-Y262 HydrophobicContact CG1-CD2 4.35Å; V188-Y262 HydrophobicContact CG1-CE2 3.7Å; K192-Y262 HydrophobicContact CB-CD1 3.79Å; K192-Y262 HydrophobicContact CB-CE1 4.28Å; K192-Y262 HydrophobicContact CB-CG 3.94Å; K192-Y262 HydrophobicContact CD-CD1 4.3Å; K192-Y262 HydrophobicContact CD-CE1 4.28Å; K192-Y262 HydrophobicContact CG-CD1 3.88Å; K192-Y262 HydrophobicContact CG-CE1 4.35Å; K192-Y262 HydrophobicContact CG-CG 4.47Å; F195-Y262 VanDerWaalsContact CD1-O 3.27Å; F195-Y262 WeakPolarHBondContact CD1-O 3.38Å; F195-Y262 WeakPolarHBondContact CD2-O 3.23Å; F195-Y262 WeakPolarHBondContact CG-O 3.37Å; H258-Y262 HydrophobicContact CB-CD2 4.41Å; H258-Y262 HydrophobicContact CB-CE2 4.41Å; H258-Y262 WeakPolarHBondContact O-CD2 3.27Å; H258-Y262 PolarHBondContact O-N 2.98Å; V259-Y262 PolarHBondContact O-N 3.32Å |
| 263 | C | 89.6 | Confident | 91.2 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -97 | -16.2 | -176.6 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | T200 V259 N267 | T200-C263 HydrophobicContact CG2-CB 3.66Å; V259-C263 HydrophobicContact CG1-CB 4.16Å; V259-C263 WeakPolarHBondContact O-CA 3.08Å; V259-C263 VanDerWaalsContact O-CB 3.24Å; V259-C263 WeakPolarHBondContact O-CB 3.42Å; V259-C263 PolarHBondContact O-N 2.9Å; C263-N267 HydrophobicContact CB-CB 4.2Å; C263-N267 PolarHBondContact O-ND2 3.4Å |
| 264 | G | 86.7 | Confident | 91.2 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | trans | 79.2 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E260 N267 | E260-G264 WeakPolarHBondContact O-CA 2.98Å; E260-G264 PolarHBondContact O-N 2.9Å; G264-N267 PolarHBondContact O-ND2 3.02Å | ||
| 265 | P | 87.6 | Confident | 91.4 | Very high | 61 Ų | 61 | 31.7 Ų | 31.7 | 40% | 0.396 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 153.5 | -172.2 | 30.5 | -36.2 | 0 | 0 | 0 | 112.5 | D370 Q373 | P265-D370 VanDerWaalsContact CA-OD1 3.27Å; P265-D370 WeakPolarHBondContact CA-OD1 3.41Å; P265-Q373 HydrophobicContact CB-CB 3.74Å; P265-Q373 HydrophobicContact CG-CB 4.4Å |
| 266 | G | 87.1 | Confident | 91.4 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 11% | 0.113 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 6.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D370 C374 | G266-D370 VanDerWaalsContact C-OD2 3.29Å; G266-D370 WeakPolarHBondContact CA-OD2 3.34Å; G266-D370 PolarHBondContact N-OD1 3.37Å; G266-D370 PolarHBondContact N-OD2 3.41Å; G266-C374 WeakPolarHBondContact CA-SG 3.16Å; G266-C374 PolarHBondContact N-SG 3.32Å |
| 267 | N | 88.9 | Confident | 91.5 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | trans | -105.8 | -9.4 | -175.2 | -73 | -49.7 | 0 | 0 | 0 | 113.1 | I204 V259 C263 G264 F269 D370 | I204-N267 HydrophobicContact CD1-CB 3.58Å; V259-N267 HydrophobicContact CG1-CB 3.93Å; C263-N267 HydrophobicContact CB-CB 4.2Å; C263-N267 PolarHBondContact O-ND2 3.4Å; G264-N267 PolarHBondContact O-ND2 3.02Å; N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 3.25Å; N267-D370 PolarHBondContact N-OD2 3.13Å | ||
| 268 | I | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.2 | -31.7 | -176.7 | -64.1 | 173.4 | 0 | 0 | 0 | 111.4 | E260 G270 L271 V272 D370 | E260-I268 VanDerWaalsContact CD-CD1 3.47Å; E260-I268 HydrophobicContact CG-CD1 3.31Å; E260-I268 HydrophobicContact CG-CG1 4Å; E260-I268 WeakPolarHBondContact OE1-CD1 3.49Å; I268-G270 PolarHBondContact O-N 3.46Å; I268-L271 WeakPolarHBondContact O-CB 3.25Å; I268-L271 PolarHBondContact O-N 3.02Å; I268-L271 VanDerWaalsContact O-N 3.12Å; I268-V272 HydrophobicContact CG2-CG2 3.52Å; I268-V272 WeakPolarHBondContact O-CG2 3.27Å; I268-V272 PolarHBondContact O-N 3.35Å; I268-D370 HydrophobicContact CB-CB 4.18Å; I268-D370 WeakPolarHBondContact CB-OD2 3.44Å; I268-D370 HydrophobicContact CD1-CB 3.58Å; I268-D370 VanDerWaalsContact CD1-CG 3.43Å; I268-D370 HydrophobicContact CG1-CB 4.16Å; I268-D370 PolarHBondContact N-OD2 3.02Å |
| 269 | F | 91.8 | Very high | 91.8 | Very high | 33 Ų | 33 | 27.4 Ų | 27.4 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.7 | -47.9 | -175.9 | 178.6 | -117.7 | 0 | 0 | 0 | 112.4 | N267 L271 V272 S273 I367 E387 I388 F391 | N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 3.25Å; F269-L271 VanDerWaalsContact C-N 3.27Å; F269-L271 PolarHBondContact O-N 3.25Å; F269-V272 PolarHBondContact O-N 2.98Å; F269-S273 WeakPolarHBondContact CE2-OG 3.44Å; F269-S273 WeakPolarHBondContact CZ-OG 3.32Å; F269-S273 WeakPolarHBondContact O-CB 3.27Å; F269-S273 PolarHBondContact O-N 2.82Å; F269-S273 PolarHBondContact O-OG 3.37Å; F269-S273 VanDerWaalsContact O-OG 3.11Å; F269-I367 HydrophobicContact CB-CG2 4.28Å; F269-I367 HydrophobicContact CD2-CD1 4.01Å; F269-I367 HydrophobicContact CD2-CG1 4.45Å; F269-I367 HydrophobicContact CD2-CG2 4.04Å; F269-E387 HydrophobicContact CE1-CG 4.18Å; F269-E387 HydrophobicContact CZ-CG 4.37Å; F269-I388 HydrophobicContact CD2-CD1 4.35Å; F269-I388 HydrophobicContact CD2-CG1 3.66Å; F269-I388 HydrophobicContact CE2-CB 4.25Å; F269-I388 HydrophobicContact CE2-CG1 3.48Å; F269-I388 VanDerWaalsContact CE2-CG1 3.48Å; F269-I388 HydrophobicContact CG-CG1 4.28Å; F269-I388 HydrophobicContact CZ-CG1 3.96Å; F269-F391 HydrophobicContact CE2-CB 4.37Å; F269-F391 HydrophobicContact CE2-CD1 4.4Å; F269-F391 HydrophobicContact CE2-CG 4.35Å; F269-F391 HydrophobicContact CZ-CB 4.16Å; F269-F391 HydrophobicContact CZ-CG 4.34Å |
| 270 | G | 90 | Very high | 91.8 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.1 | -34.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I268 S274 | I268-G270 PolarHBondContact O-N 3.46Å; G270-S274 PolarHBondContact O-N 2.97Å; G270-S274 PolarHBondContact O-OG 2.91Å |
| 271 | L | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.3 | -51.9 | 173.8 | 178.2 | 65.4 | 0 | 0 | 0 | 111.3 | F207 S208 L211 L252 V259 I268 F269 S273 S274 V275 | F207-L271 HydrophobicContact CD1-CD1 4.01Å; F207-L271 HydrophobicContact CD1-CD2 4.45Å; F207-L271 HydrophobicContact CE1-CD1 4.48Å; F207-L271 HydrophobicContact CE1-CD2 4.34Å; S208-L271 WeakPolarHBondContact OG-CA 3.02Å; S208-L271 WeakPolarHBondContact OG-CD1 3.14Å; L211-L271 HydrophobicContact CD2-CD1 3.85Å; L211-L271 HydrophobicContact CD2-CD2 4.46Å; L211-L271 HydrophobicContact CD2-CG 4.44Å; L252-L271 HydrophobicContact CD2-CG 4.33Å; V259-L271 HydrophobicContact CG2-CD2 3.89Å; I268-L271 WeakPolarHBondContact O-CB 3.25Å; I268-L271 PolarHBondContact O-N 3.02Å; I268-L271 VanDerWaalsContact O-N 3.12Å; F269-L271 VanDerWaalsContact C-N 3.27Å; F269-L271 PolarHBondContact O-N 3.25Å; L271-S273 PolarHBondContact O-N 3.41Å; L271-S274 PolarHBondContact O-N 2.69Å; L271-V275 HydrophobicContact CD1-CG2 4.44Å; L271-V275 WeakPolarHBondContact O-CG2 3.49Å; L271-V275 PolarHBondContact O-N 3.48Å; L271-V275 VanDerWaalsContact O-N 3.11Å |
| 272 | V | 94.1 | Very high | 92 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | -176.7 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | L252 I268 F269 S274 V275 H276 I363 I367 | L252-V272 HydrophobicContact CD2-CG2 4.18Å; I268-V272 HydrophobicContact CG2-CG2 3.52Å; I268-V272 WeakPolarHBondContact O-CG2 3.27Å; I268-V272 PolarHBondContact O-N 3.35Å; F269-V272 PolarHBondContact O-N 2.98Å; V272-S274 VanDerWaalsContact C-N 3.32Å; V272-S274 PolarHBondContact O-N 3Å; V272-V275 PolarHBondContact O-N 3.33Å; V272-H276 WeakPolarHBondContact O-CB 3.5Å; V272-H276 PolarHBondContact O-N 3.18Å; V272-I363 HydrophobicContact CG1-CB 4.02Å; V272-I363 HydrophobicContact CG1-CG2 4.25Å; V272-I367 HydrophobicContact CB-CD1 4.14Å; V272-I367 HydrophobicContact CB-CG1 4.27Å; V272-I367 HydrophobicContact CG1-CD1 3.73Å; V272-I367 HydrophobicContact CG1-CG1 4.25Å; V272-I367 HydrophobicContact CG2-CG1 4.34Å |
| 273 | S | 93.3 | Very high | 92.2 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 12% | 0.119 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 178.2 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | F269 L271 H276 C277 F391 | F269-S273 WeakPolarHBondContact CE2-OG 3.44Å; F269-S273 WeakPolarHBondContact CZ-OG 3.32Å; F269-S273 WeakPolarHBondContact O-CB 3.27Å; F269-S273 PolarHBondContact O-N 2.82Å; F269-S273 PolarHBondContact O-OG 3.37Å; F269-S273 VanDerWaalsContact O-OG 3.11Å; L271-S273 PolarHBondContact O-N 3.41Å; S273-H276 PolarHBondContact O-N 2.89Å; S273-C277 PolarHBondContact O-N 3.42Å; S273-C277 PolarHBondContact O-SG 2.75Å; S273-C277 VanDerWaalsContact O-SG 3.34Å; S273-F391 VanDerWaalsContact CA-CZ 3.49Å |
| 274 | S | 94.2 | Very high | 92.2 | Very high | 48 Ų | 48 | 30.7 Ų | 30.7 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.5 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | C212 G270 L271 V272 | C212-S274 PolarHBondContact SG-O 2.72Å; G270-S274 PolarHBondContact O-N 2.97Å; G270-S274 PolarHBondContact O-OG 2.91Å; L271-S274 PolarHBondContact O-N 2.69Å; V272-S274 VanDerWaalsContact C-N 3.32Å; V272-S274 PolarHBondContact O-N 3Å |
| 275 | V | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70 | -37.7 | 178.6 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | L211 I215 V248 L252 L271 V272 C277 V278 V279 | L211-V275 HydrophobicContact CB-CG2 4.44Å; L211-V275 HydrophobicContact CD2-CG2 3.92Å; L211-V275 HydrophobicContact CG-CG2 4.32Å; I215-V275 HydrophobicContact CD1-CB 4.43Å; I215-V275 HydrophobicContact CD1-CG1 3.44Å; I215-V275 VanDerWaalsContact CD1-CG1 3.44Å; I215-V275 HydrophobicContact CD1-CG2 4.12Å; V248-V275 HydrophobicContact CG1-CG1 3.61Å; L252-V275 HydrophobicContact CD1-CB 4.4Å; L252-V275 HydrophobicContact CD1-CG1 3.88Å; L252-V275 HydrophobicContact CD2-CB 3.96Å; L252-V275 HydrophobicContact CD2-CG1 4Å; L252-V275 HydrophobicContact CD2-CG2 3.9Å; L252-V275 HydrophobicContact CG-CB 4.44Å; L252-V275 HydrophobicContact CG-CG1 3.94Å; L271-V275 HydrophobicContact CD1-CG2 4.44Å; L271-V275 WeakPolarHBondContact O-CG2 3.49Å; L271-V275 PolarHBondContact O-N 3.48Å; L271-V275 VanDerWaalsContact O-N 3.11Å; V272-V275 PolarHBondContact O-N 3.33Å; V275-C277 VanDerWaalsContact C-N 3.29Å; V275-C277 PolarHBondContact O-N 3.11Å; V275-V278 WeakPolarHBondContact O-CA 3.22Å; V275-V278 VanDerWaalsContact O-CB 3.25Å; V275-V278 WeakPolarHBondContact O-CB 3.33Å; V275-V278 PolarHBondContact O-N 3.41Å; V275-V279 PolarHBondContact O-N 3Å; V275-V279 VanDerWaalsContact O-N 3.14Å |
| 276 | H | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -36.9 | 179.5 | -176.5 | 74.5 | 0 | 0 | 0 | 111.9 | V272 S273 V278 V279 D280 Y359 F391 S395 | V272-H276 WeakPolarHBondContact O-CB 3.5Å; V272-H276 PolarHBondContact O-N 3.18Å; S273-H276 PolarHBondContact O-N 2.89Å; H276-V278 PolarHBondContact O-N 3.23Å; H276-V279 WeakPolarHBondContact O-CB 3.35Å; H276-V279 PolarHBondContact O-N 2.72Å; H276-V279 VanDerWaalsContact O-N 3.09Å; H276-D280 IonicContact CD2-OD1 3.52Å; H276-D280 IonicContact CD2-OD2 3.82Å; H276-D280 IonicContact CE1-OD1 3.34Å; H276-D280 IonicContact NE2-OD1 2.76Å; H276-D280 PolarHBondContact NE2-OD1 3.29Å; H276-D280 IonicContact NE2-OD2 2.72Å; H276-D280 PolarHBondContact NE2-OD2 3.01Å; H276-D280 PolarHBondContact O-N 3.08Å; H276-Y359 AromaticContact CE1-CE1 3.98Å; H276-Y359 AromaticContact ND1-CE1 3.55Å; H276-F391 HydrophobicContact CB-CE1 4.01Å; H276-F391 HydrophobicContact CB-CZ 3.94Å; H276-F391 AromaticContact CD2-CE1 3.68Å; H276-F391 AromaticContact CD2-CZ 3.7Å; H276-F391 AromaticContact CG-CE1 3.91Å; H276-S395 PolarHBondContact NE2-OG 3.45Å |
| 277 | C | 93.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 29.4 Ų | 29.4 | 48% | 0.48 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.8 | -31 | 172.1 | -66.3 | 0 | 0 | 0 | 0 | 113.1 | S273 V275 R281 | S273-C277 PolarHBondContact O-N 3.42Å; S273-C277 PolarHBondContact O-SG 2.75Å; S273-C277 VanDerWaalsContact O-SG 3.34Å; V275-C277 VanDerWaalsContact C-N 3.29Å; V275-C277 PolarHBondContact O-N 3.11Å; C277-R281 PolarHBondContact O-N 2.84Å |
| 278 | V | 94.2 | Very high | 92.5 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 11% | 0.109 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.3 | -42.6 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | C212 I215 S216 V275 H276 R281 Y282 | C212-V278 HydrophobicContact CB-CG2 3.68Å; I215-V278 HydrophobicContact CG2-CG1 3.98Å; S216-V278 WeakPolarHBondContact OG-CG1 3.33Å; V275-V278 WeakPolarHBondContact O-CA 3.22Å; V275-V278 VanDerWaalsContact O-CB 3.25Å; V275-V278 WeakPolarHBondContact O-CB 3.33Å; V275-V278 PolarHBondContact O-N 3.41Å; H276-V278 PolarHBondContact O-N 3.23Å; V278-R281 PolarHBondContact O-N 3.05Å; V278-Y282 HydrophobicContact CG1-CD2 3.65Å; V278-Y282 HydrophobicContact CG1-CE2 3.51Å; V278-Y282 VanDerWaalsContact O-CD2 3.25Å; V278-Y282 WeakPolarHBondContact O-CD2 3.38Å; V278-Y282 PolarHBondContact O-N 3.24Å; V278-Y282 VanDerWaalsContact O-N 3.11Å |
| 279 | V | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -49 | 174.7 | 177.1 | 0 | 0 | 0 | 0 | 111 | L245 V248 V275 H276 R281 Y282 V283 Y359 L397 | L245-V279 HydrophobicContact CD2-CG1 3.5Å; V248-V279 HydrophobicContact CB-CG2 4.1Å; V248-V279 HydrophobicContact CG1-CG2 3.61Å; V248-V279 HydrophobicContact CG2-CG2 3.83Å; V275-V279 PolarHBondContact O-N 3Å; V275-V279 VanDerWaalsContact O-N 3.14Å; H276-V279 WeakPolarHBondContact O-CB 3.35Å; H276-V279 PolarHBondContact O-N 2.72Å; H276-V279 VanDerWaalsContact O-N 3.09Å; V279-R281 PolarHBondContact O-N 3.05Å; V279-Y282 PolarHBondContact O-N 3.49Å; V279-Y282 VanDerWaalsContact O-N 3.17Å; V279-V283 HydrophobicContact CG1-CG2 3.74Å; V279-V283 WeakPolarHBondContact O-CB 3.5Å; V279-V283 WeakPolarHBondContact O-CG2 3.32Å; V279-V283 PolarHBondContact O-N 3.41Å; V279-Y359 HydrophobicContact CG1-CE1 4.01Å; V279-L397 HydrophobicContact CG1-CD2 4.3Å |
| 280 | D | 93.8 | Very high | 91.8 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.5 | -43.7 | 177.1 | -86.7 | -2.3 | 0 | 0 | 0 | 111.5 | H276 K284 S395 Q396 L397 | H276-D280 IonicContact CD2-OD1 3.52Å; H276-D280 IonicContact CD2-OD2 3.82Å; H276-D280 IonicContact CE1-OD1 3.34Å; H276-D280 IonicContact NE2-OD1 2.76Å; H276-D280 PolarHBondContact NE2-OD1 3.29Å; H276-D280 IonicContact NE2-OD2 2.72Å; H276-D280 PolarHBondContact NE2-OD2 3.01Å; H276-D280 PolarHBondContact O-N 3.08Å; D280-K284 WeakPolarHBondContact O-CB 3.31Å; D280-K284 PolarHBondContact O-N 3.34Å; D280-K284 VanDerWaalsContact O-N 3.1Å; D280-S395 PolarHBondContact OD1-OG 2.91Å; D280-Q396 HydrophobicContact CB-CB 3.99Å; D280-Q396 PolarHBondContact OD2-N 3.01Å; D280-L397 WeakPolarHBondContact OD1-CB 3.4Å; D280-L397 PolarHBondContact OD1-N 3.48Å |
| 281 | R | 93.9 | Very high | 91.5 | Very high | 177 Ų | 177 | 35.8 Ų | 35.8 | 67% | 0.668 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -65.4 | -49.4 | 178.8 | 178 | 178.3 | 172.3 | 153.1 | -3.1 | 112.8 | C277 V278 V279 C285 | C277-R281 PolarHBondContact O-N 2.84Å; V278-R281 PolarHBondContact O-N 3.05Å; V279-R281 PolarHBondContact O-N 3.05Å; R281-C285 PolarHBondContact O-N 3.21Å |
| 282 | Y | 93.6 | Very high | 90.8 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.5 | -40.1 | -174.6 | -73.8 | -69.8 | 0 | 0 | 0 | 112.6 | S216 C219 E220 I223 V278 V279 K284 C285 V286 | S216-Y282 WeakPolarHBondContact CA-OH 3.42Å; S216-Y282 WeakPolarHBondContact CB-OH 3.28Å; S216-Y282 PolarHBondContact O-OH 3.31Å; S216-Y282 PolarHBondContact OG-OH 3.12Å; C219-Y282 HydrophobicContact CB-CD1 3.88Å; C219-Y282 HydrophobicContact CB-CD2 3.72Å; C219-Y282 HydrophobicContact CB-CE1 4.07Å; C219-Y282 HydrophobicContact CB-CE2 3.94Å; C219-Y282 HydrophobicContact CB-CG 3.7Å; E220-Y282 HydrophobicContact CG-CE1 3.67Å; E220-Y282 WeakPolarHBondContact CG-OH 3.47Å; E220-Y282 PolarHBondContact OE1-OH 3.29Å; I223-Y282 HydrophobicContact CD1-CD1 3.56Å; I223-Y282 HydrophobicContact CD1-CE1 4.3Å; I223-Y282 HydrophobicContact CD1-CG 4.45Å; V278-Y282 HydrophobicContact CG1-CD2 3.65Å; V278-Y282 HydrophobicContact CG1-CE2 3.51Å; V278-Y282 VanDerWaalsContact O-CD2 3.25Å; V278-Y282 WeakPolarHBondContact O-CD2 3.38Å; V278-Y282 PolarHBondContact O-N 3.24Å; V278-Y282 VanDerWaalsContact O-N 3.11Å; V279-Y282 PolarHBondContact O-N 3.49Å; V279-Y282 VanDerWaalsContact O-N 3.17Å; Y282-K284 VanDerWaalsContact C-N 3.29Å; Y282-K284 PolarHBondContact O-N 2.89Å; Y282-C285 WeakPolarHBondContact O-CB 3.21Å; Y282-C285 PolarHBondContact O-N 3.41Å; Y282-V286 WeakPolarHBondContact O-CG2 3.44Å; Y282-V286 PolarHBondContact O-N 3.48Å; Y282-V286 VanDerWaalsContact O-N 3.1Å |
| 283 | V | 92.4 | Very high | 90 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | I241 L245 V279 C285 V286 V287 L397 | I241-V283 HydrophobicContact CD1-CG1 4.16Å; I241-V283 HydrophobicContact CG1-CG1 4.31Å; I241-V283 HydrophobicContact CG2-CG1 4.29Å; I241-V283 HydrophobicContact CG2-CG2 4.44Å; L245-V283 HydrophobicContact CD2-CG2 4.06Å; V279-V283 HydrophobicContact CG1-CG2 3.74Å; V279-V283 WeakPolarHBondContact O-CB 3.5Å; V279-V283 WeakPolarHBondContact O-CG2 3.32Å; V279-V283 PolarHBondContact O-N 3.41Å; V283-C285 VanDerWaalsContact C-N 3.31Å; V283-C285 PolarHBondContact O-N 2.95Å; V283-V286 PolarHBondContact O-N 2.73Å; V283-V286 VanDerWaalsContact O-N 3.1Å; V283-V287 HydrophobicContact CG1-CG2 3.96Å; V283-V287 WeakPolarHBondContact O-CG2 3.28Å; V283-V287 PolarHBondContact O-N 2.98Å; V283-L397 HydrophobicContact CB-CD1 4.01Å; V283-L397 HydrophobicContact CG1-CD1 3.49Å; V283-L397 VanDerWaalsContact CG1-CD1 3.49Å; V283-L397 HydrophobicContact CG2-CD1 4.23Å |
| 284 | K | 91.5 | Very high | 89 | Confident | 76 Ų | 76 | 49 Ų | 49 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.1 | -45.4 | 174.5 | 170.9 | 169.6 | 179 | 177.8 | 0 | 112.9 | D280 Y282 V286 V287 E288 Q396 Q400 | D280-K284 WeakPolarHBondContact O-CB 3.31Å; D280-K284 PolarHBondContact O-N 3.34Å; D280-K284 VanDerWaalsContact O-N 3.1Å; Y282-K284 VanDerWaalsContact C-N 3.29Å; Y282-K284 PolarHBondContact O-N 2.89Å; K284-V286 VanDerWaalsContact C-N 3.3Å; K284-V286 PolarHBondContact O-N 2.92Å; K284-V287 PolarHBondContact O-N 2.76Å; K284-E288 WeakPolarHBondContact CE-OE1 3.48Å; K284-E288 HydrophobicContact CG-CG 4.31Å; K284-E288 IonicContact NZ-OE1 3.88Å; K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 WeakPolarHBondContact O-CG 3.28Å; K284-E288 PolarHBondContact O-N 3.49Å; K284-Q396 HydrophobicContact CD-CG 4.03Å; K284-Q400 VanDerWaalsContact CA-NE2 3.31Å |
| 285 | C | 91.2 | Very high | 87.8 | Confident | 63 Ų | 63 | 52 Ų | 52 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | R281 Y282 V283 R289 | R281-C285 PolarHBondContact O-N 3.21Å; Y282-C285 WeakPolarHBondContact O-CB 3.21Å; Y282-C285 PolarHBondContact O-N 3.41Å; V283-C285 VanDerWaalsContact C-N 3.31Å; V283-C285 PolarHBondContact O-N 2.95Å; C285-R289 PolarHBondContact O-N 3.33Å |
| 286 | V | 90.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.2 | -40.5 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | I223 L240 I241 I244 Y282 V283 K284 R289 F290 | I223-V286 HydrophobicContact CD1-CG2 4.27Å; I223-V286 HydrophobicContact CG1-CG2 4.21Å; L240-V286 HydrophobicContact CB-CG1 4.42Å; L240-V286 HydrophobicContact CD2-CG1 3.98Å; L240-V286 HydrophobicContact CD2-CG2 3.72Å; L240-V286 HydrophobicContact CG-CG1 4.31Å; L240-V286 HydrophobicContact CG-CG2 4.07Å; I241-V286 HydrophobicContact CD1-CB 4.19Å; I241-V286 HydrophobicContact CD1-CG1 3.9Å; I241-V286 HydrophobicContact CG1-CB 3.89Å; I241-V286 HydrophobicContact CG1-CG1 3.65Å; I244-V286 HydrophobicContact CD1-CG2 4.1Å; Y282-V286 WeakPolarHBondContact O-CG2 3.44Å; Y282-V286 PolarHBondContact O-N 3.48Å; Y282-V286 VanDerWaalsContact O-N 3.1Å; V283-V286 PolarHBondContact O-N 2.73Å; V283-V286 VanDerWaalsContact O-N 3.1Å; K284-V286 VanDerWaalsContact C-N 3.3Å; K284-V286 PolarHBondContact O-N 2.92Å; V286-R289 WeakPolarHBondContact O-CB 3.37Å; V286-R289 PolarHBondContact O-N 2.81Å; V286-F290 PolarHBondContact O-N 3.04Å |
| 287 | V | 87.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | I241 V283 K284 R289 F290 Y291 L404 | I241-V287 HydrophobicContact CD1-CG2 3.77Å; V283-V287 HydrophobicContact CG1-CG2 3.96Å; V283-V287 WeakPolarHBondContact O-CG2 3.28Å; V283-V287 PolarHBondContact O-N 2.98Å; K284-V287 PolarHBondContact O-N 2.76Å; V287-R289 VanDerWaalsContact C-N 3.3Å; V287-R289 PolarHBondContact O-N 3.39Å; V287-F290 WeakPolarHBondContact O-CB 3.32Å; V287-F290 PolarHBondContact O-N 2.95Å; V287-Y291 HydrophobicContact CG1-CD2 3.72Å; V287-Y291 HydrophobicContact CG1-CE2 3.4Å; V287-Y291 VanDerWaalsContact CG1-CE2 3.4Å; V287-Y291 VanDerWaalsContact O-CD2 3.22Å; V287-Y291 WeakPolarHBondContact O-CD2 3.45Å; V287-Y291 PolarHBondContact O-N 3.19Å; V287-L404 HydrophobicContact CG1-CD1 4.49Å |
| 288 | E | 86.8 | Confident | 83.4 | Confident | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 174.7 | -74.5 | 173 | 170 | 0 | 0 | 111.9 | K284 Y291 S292 | K284-E288 WeakPolarHBondContact CE-OE1 3.48Å; K284-E288 HydrophobicContact CG-CG 4.31Å; K284-E288 IonicContact NZ-OE1 3.88Å; K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 WeakPolarHBondContact O-CG 3.28Å; K284-E288 PolarHBondContact O-N 3.49Å; E288-Y291 PolarHBondContact O-N 2.92Å; E288-S292 WeakPolarHBondContact O-CB 3.34Å; E288-S292 PolarHBondContact O-N 3.25Å; E288-S292 PolarHBondContact O-OG 3.36Å |
| 289 | R | 84.8 | Confident | 81.9 | Confident | 106 Ų | 106 | 62.6 Ų | 62.6 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 173.4 | -178.6 | -179.2 | 171.1 | 94.2 | -3.8 | 111.5 | C285 V286 V287 S292 Y293 | C285-R289 PolarHBondContact O-N 3.33Å; V286-R289 WeakPolarHBondContact O-CB 3.37Å; V286-R289 PolarHBondContact O-N 2.81Å; V287-R289 VanDerWaalsContact C-N 3.3Å; V287-R289 PolarHBondContact O-N 3.39Å; R289-S292 PolarHBondContact O-N 3.17Å; R289-Y293 WeakPolarHBondContact O-CB 3.32Å; R289-Y293 PolarHBondContact O-N 3.36Å |
| 290 | F | 84.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 174.7 | 174.5 | -105.3 | 0 | 0 | 0 | 111.6 | V286 V287 S292 Y293 H294 L296 I345 E348 I352 L404 | V286-F290 PolarHBondContact O-N 3.04Å; V287-F290 WeakPolarHBondContact O-CB 3.32Å; V287-F290 PolarHBondContact O-N 2.95Å; F290-S292 VanDerWaalsContact C-N 3.3Å; F290-S292 PolarHBondContact O-N 2.9Å; F290-Y293 PolarHBondContact O-N 3.46Å; F290-H294 AromaticContact CD2-CD2 3.43Å; F290-H294 VanDerWaalsContact CD2-CD2 3.43Å; F290-H294 WeakPolarHBondContact CD2-CD2 3.31Å; F290-H294 AromaticContact CD2-NE2 3.77Å; F290-H294 AromaticContact CE2-CD2 3.25Å; F290-H294 WeakPolarHBondContact CE2-CD2 3.48Å; F290-H294 AromaticContact CE2-NE2 3.44Å; F290-H294 WeakPolarHBondContact CE2-NE2 3.33Å; F290-H294 AromaticContact CZ-CD2 3.96Å; F290-H294 PolarHBondContact O-CD2 3.47Å; F290-H294 PolarHBondContact O-N 3.22Å; F290-H294 VanDerWaalsContact O-N 3.16Å; F290-L296 HydrophobicContact CD1-CD1 3.89Å; F290-L296 HydrophobicContact CE1-CD1 3.39Å; F290-L296 HydrophobicContact CZ-CD1 4.01Å; F290-I345 HydrophobicContact CZ-CG2 4.1Å; F290-E348 HydrophobicContact CD2-CG 4.42Å; F290-E348 HydrophobicContact CE2-CB 3.98Å; F290-E348 VanDerWaalsContact CE2-CD 3.48Å; F290-E348 HydrophobicContact CE2-CG 3.81Å; F290-E348 WeakPolarHBondContact CE2-OE2 3.42Å; F290-E348 HydrophobicContact CZ-CB 4.3Å; F290-E348 HydrophobicContact CZ-CG 4.47Å; F290-I352 HydrophobicContact CD1-CD1 4.35Å; F290-I352 HydrophobicContact CD2-CD1 4.46Å; F290-I352 HydrophobicContact CE1-CD1 4.49Å; F290-I352 HydrophobicContact CG-CD1 4.33Å; F290-L404 HydrophobicContact CE1-CD2 4.48Å |
| 291 | Y | 82.3 | Confident | 78.9 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 176.2 | -79.7 | -58.8 | 0 | 0 | 0 | 112.4 | V287 E288 H295 L296 L404 K407 | V287-Y291 HydrophobicContact CG1-CD2 3.72Å; V287-Y291 HydrophobicContact CG1-CE2 3.4Å; V287-Y291 VanDerWaalsContact CG1-CE2 3.4Å; V287-Y291 VanDerWaalsContact O-CD2 3.22Å; V287-Y291 WeakPolarHBondContact O-CD2 3.45Å; V287-Y291 PolarHBondContact O-N 3.19Å; E288-Y291 PolarHBondContact O-N 2.92Å; Y291-H295 PolarHBondContact O-N 2.98Å; Y291-L296 HydrophobicContact CD1-CB 3.94Å; Y291-L296 HydrophobicContact CD1-CD1 3.62Å; Y291-L296 HydrophobicContact CD1-CG 4.31Å; Y291-L296 HydrophobicContact CE1-CB 4.47Å; Y291-L296 HydrophobicContact CE1-CD1 3.9Å; Y291-L296 PolarHBondContact O-N 3.44Å; Y291-L404 HydrophobicContact CE1-CD2 4.29Å; Y291-L404 WeakPolarHBondContact OH-CD2 3.48Å; Y291-L404 WeakPolarHBondContact OH-CG 3.41Å; Y291-K407 HydrophobicContact CE1-CD 4.04Å |
| 292 | S | 80.5 | Confident | 77.3 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 60% | 0.601 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.7 | -40.2 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | E288 R289 F290 | E288-S292 WeakPolarHBondContact O-CB 3.34Å; E288-S292 PolarHBondContact O-N 3.25Å; E288-S292 PolarHBondContact O-OG 3.36Å; R289-S292 PolarHBondContact O-N 3.17Å; F290-S292 VanDerWaalsContact C-N 3.3Å; F290-S292 PolarHBondContact O-N 2.9Å |
| 293 | Y | 76 | Confident | 75.8 | Confident | 176 Ų | 176 | 66.2 Ų | 66.2 | 69% | 0.69 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | -177.3 | -176.9 | -100.8 | 0 | 0 | 0 | 112.5 | R289 F290 | R289-Y293 WeakPolarHBondContact O-CB 3.32Å; R289-Y293 PolarHBondContact O-N 3.36Å; F290-Y293 PolarHBondContact O-N 3.46Å |
| 294 | H | 72.5 | Confident | 74.5 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 17% | 0.171 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.2 | -178.4 | -72.2 | -73.1 | 0 | 0 | 0 | 113.9 | F290 L296 L299 I345 E348 | F290-H294 AromaticContact CD2-CD2 3.43Å; F290-H294 VanDerWaalsContact CD2-CD2 3.43Å; F290-H294 WeakPolarHBondContact CD2-CD2 3.31Å; F290-H294 AromaticContact CD2-NE2 3.77Å; F290-H294 AromaticContact CE2-CD2 3.25Å; F290-H294 WeakPolarHBondContact CE2-CD2 3.48Å; F290-H294 AromaticContact CE2-NE2 3.44Å; F290-H294 WeakPolarHBondContact CE2-NE2 3.33Å; F290-H294 AromaticContact CZ-CD2 3.96Å; F290-H294 PolarHBondContact O-CD2 3.47Å; F290-H294 PolarHBondContact O-N 3.22Å; F290-H294 VanDerWaalsContact O-N 3.16Å; H294-L296 HydrophobicContact CB-CD1 4.25Å; H294-L296 HydrophobicContact CB-CD2 3.7Å; H294-L296 HydrophobicContact CB-CG 3.6Å; H294-L296 PolarHBondContact O-N 3.02Å; H294-L299 WeakPolarHBondContact O-CD1 3.26Å; H294-I345 HydrophobicContact CB-CD1 4.19Å; H294-I345 WeakPolarHBondContact ND1-CG1 3.35Å; H294-E348 IonicContact NE2-OE2 3.43Å |
| 295 | H | 69.1 | Low | 73.2 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 38.8 | -173.8 | -62.1 | -84.3 | 0 | 0 | 0 | 112.2 | Y291 D297 E298 L299 | Y291-H295 PolarHBondContact O-N 2.98Å; H295-D297 PolarHBondContact O-N 3.41Å; H295-D297 VanDerWaalsContact O-N 3.12Å; H295-E298 HydrophobicContact CB-CB 4.26Å; H295-E298 WeakPolarHBondContact O-CA 3.41Å; H295-E298 WeakPolarHBondContact O-CB 3.33Å; H295-E298 PolarHBondContact O-N 3.14Å; H295-L299 PolarHBondContact O-N 3.1Å |
| 296 | L | 62.7 | Low | 71.6 | Confident | 17 Ų | 17 | 76.4 Ų | 76.4 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -31.4 | -167.5 | -69.6 | 174.7 | 0 | 0 | 0 | 112.5 | F290 Y291 H294 E298 L299 C300 I345 | F290-L296 HydrophobicContact CD1-CD1 3.89Å; F290-L296 HydrophobicContact CE1-CD1 3.39Å; F290-L296 HydrophobicContact CZ-CD1 4.01Å; Y291-L296 HydrophobicContact CD1-CB 3.94Å; Y291-L296 HydrophobicContact CD1-CD1 3.62Å; Y291-L296 HydrophobicContact CD1-CG 4.31Å; Y291-L296 HydrophobicContact CE1-CB 4.47Å; Y291-L296 HydrophobicContact CE1-CD1 3.9Å; Y291-L296 PolarHBondContact O-N 3.44Å; H294-L296 HydrophobicContact CB-CD1 4.25Å; H294-L296 HydrophobicContact CB-CD2 3.7Å; H294-L296 HydrophobicContact CB-CG 3.6Å; H294-L296 PolarHBondContact O-N 3.02Å; L296-E298 VanDerWaalsContact C-N 3.3Å; L296-E298 PolarHBondContact O-N 3.18Å; L296-L299 HydrophobicContact CD2-CD1 4.44Å; L296-L299 PolarHBondContact O-N 3.03Å; L296-C300 VanDerWaalsContact O-CB 3.22Å; L296-C300 WeakPolarHBondContact O-CB 3.34Å; L296-C300 PolarHBondContact O-N 3.3Å; L296-C300 PolarHBondContact O-SG 3.32Å; L296-C300 VanDerWaalsContact O-SG 3.35Å; L296-I345 HydrophobicContact CD1-CG2 4.4Å; L296-I345 HydrophobicContact CD2-CD1 4.13Å; L296-I345 HydrophobicContact CD2-CG2 3.46Å; L296-I345 VanDerWaalsContact CD2-CG2 3.46Å |
| 297 | D | 64.2 | Low | 69.9 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 176.6 | -65.2 | -35.5 | 0 | 0 | 0 | 111.4 | H295 S301 K407 | H295-D297 PolarHBondContact O-N 3.41Å; H295-D297 VanDerWaalsContact O-N 3.12Å; D297-S301 WeakPolarHBondContact O-CB 3.39Å; D297-S301 PolarHBondContact O-N 3.33Å; D297-S301 PolarHBondContact O-OG 3.16Å; D297-K407 IonicContact OD1-NZ 3.13Å; D297-K407 PolarHBondContact OD1-NZ 2.78Å |
| 298 | E | 63.6 | Low | 68.4 | Low | 124 Ų | 124 | 84.5 Ų | 84.5 | 58% | 0.579 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -70.2 | -46.5 | 173.1 | -64.7 | -179.3 | -172.9 | 0 | 0 | 111 | H295 L296 S301 M302 | H295-E298 HydrophobicContact CB-CB 4.26Å; H295-E298 WeakPolarHBondContact O-CA 3.41Å; H295-E298 WeakPolarHBondContact O-CB 3.33Å; H295-E298 PolarHBondContact O-N 3.14Å; L296-E298 VanDerWaalsContact C-N 3.3Å; L296-E298 PolarHBondContact O-N 3.18Å; E298-S301 PolarHBondContact O-N 3.06Å; E298-S301 PolarHBondContact O-OG 3.23Å; E298-M302 WeakPolarHBondContact O-CB 3.42Å; E298-M302 VanDerWaalsContact O-CG 3.24Å; E298-M302 WeakPolarHBondContact O-CG 3.45Å; E298-M302 PolarHBondContact O-N 2.9Å |
| 299 | L | 63 | Low | 66.7 | Low | 73 Ų | 73 | 85.3 Ų | 85.3 | 38% | 0.382 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 176.8 | -75.2 | 174.1 | 0 | 0 | 0 | 111.9 | H294 H295 L296 S301 M302 L303 I345 | H294-L299 WeakPolarHBondContact O-CD1 3.26Å; H295-L299 PolarHBondContact O-N 3.1Å; L296-L299 HydrophobicContact CD2-CD1 4.44Å; L296-L299 PolarHBondContact O-N 3.03Å; L299-S301 VanDerWaalsContact C-N 3.31Å; L299-S301 PolarHBondContact O-N 2.87Å; L299-M302 PolarHBondContact O-N 3.38Å; L299-L303 WeakPolarHBondContact O-CB 3.44Å; L299-L303 PolarHBondContact O-N 3.03Å; L299-I345 HydrophobicContact CD1-CD1 4.18Å |
| 300 | C | 62.4 | Low | 65.2 | Low | 45 Ų | 45 | 84.1 Ų | 84.1 | 30% | 0.304 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 174.9 | -75.9 | 0 | 0 | 0 | 0 | 111.9 | L296 K304 | L296-C300 VanDerWaalsContact O-CB 3.22Å; L296-C300 WeakPolarHBondContact O-CB 3.34Å; L296-C300 PolarHBondContact O-N 3.3Å; L296-C300 PolarHBondContact O-SG 3.32Å; L296-C300 VanDerWaalsContact O-SG 3.35Å; C300-K304 WeakPolarHBondContact O-CB 3.31Å; C300-K304 WeakPolarHBondContact O-CG 3.33Å; C300-K304 PolarHBondContact O-N 3.46Å |
| 301 | S | 64.4 | Low | 63.4 | Low | 46 Ų | 46 | 91.1 Ų | 91.1 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 177.2 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | D297 E298 L299 K305 | D297-S301 WeakPolarHBondContact O-CB 3.39Å; D297-S301 PolarHBondContact O-N 3.33Å; D297-S301 PolarHBondContact O-OG 3.16Å; E298-S301 PolarHBondContact O-N 3.06Å; E298-S301 PolarHBondContact O-OG 3.23Å; L299-S301 VanDerWaalsContact C-N 3.31Å; L299-S301 PolarHBondContact O-N 2.87Å; S301-K305 VanDerWaalsContact O-CG 3.28Å; S301-K305 WeakPolarHBondContact O-CG 3.45Å; S301-K305 PolarHBondContact O-N 2.89Å |
| 302 | M | 59.6 | Low | 61.7 | Low | 107 Ų | 107 | 93.5 Ų | 93.5 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 177.3 | -72.7 | -69.3 | -75.7 | 0 | 0 | 111.2 | E298 L299 K305 S306 | E298-M302 WeakPolarHBondContact O-CB 3.42Å; E298-M302 VanDerWaalsContact O-CG 3.24Å; E298-M302 WeakPolarHBondContact O-CG 3.45Å; E298-M302 PolarHBondContact O-N 2.9Å; L299-M302 PolarHBondContact O-N 3.38Å; M302-K305 PolarHBondContact O-N 3.29Å; M302-S306 PolarHBondContact O-N 3.45Å; M302-S306 PolarHBondContact O-OG 3.07Å |
| 303 | L | 61.9 | Low | 60 | Low | 91 Ų | 91 | 94.4 Ų | 94.4 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 177.9 | -142.9 | 141.1 | 0 | 0 | 0 | 111.4 | L299 K305 S306 N307 I342 | L299-L303 WeakPolarHBondContact O-CB 3.44Å; L299-L303 PolarHBondContact O-N 3.03Å; L303-K305 PolarHBondContact O-N 3.11Å; L303-S306 PolarHBondContact O-N 3.37Å; L303-N307 PolarHBondContact O-N 3.08Å; L303-I342 HydrophobicContact CD1-CD1 4.14Å |
| 304 | K | 65.1 | Low | 58.5 | Low | 151 Ų | 151 | 95.2 Ų | 95.2 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 172.2 | -75.7 | 178.6 | 179.9 | -179.6 | 0 | 112.8 | C300 S308 | C300-K304 WeakPolarHBondContact O-CB 3.31Å; C300-K304 WeakPolarHBondContact O-CG 3.33Å; C300-K304 PolarHBondContact O-N 3.46Å; K304-S308 WeakPolarHBondContact O-CB 3.37Å; K304-S308 PolarHBondContact O-N 3.1Å; K304-S308 PolarHBondContact O-OG 3.19Å |
| 305 | K | 63.2 | Low | 57 | Low | 128 Ų | 128 | 104.3 Ų | 104.3 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.8 | -40.8 | 176.4 | -72.7 | 172.4 | -173 | 173.9 | 0 | 112 | S301 M302 L303 S308 N309 | S301-K305 VanDerWaalsContact O-CG 3.28Å; S301-K305 WeakPolarHBondContact O-CG 3.45Å; S301-K305 PolarHBondContact O-N 2.89Å; M302-K305 PolarHBondContact O-N 3.29Å; L303-K305 PolarHBondContact O-N 3.11Å; K305-S308 PolarHBondContact O-N 3.39Å; K305-N309 VanDerWaalsContact O-CG 3.32Å; K305-N309 PolarHBondContact O-N 3.03Å |
| 306 | S | 57.5 | Low | 55.7 | Low | 74 Ų | 74 | 108.8 Ų | 108.8 | 52% | 0.517 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.1 | -40.7 | 175.2 | -79.7 | 0 | 0 | 0 | 0 | 112.9 | M302 L303 S310 | M302-S306 PolarHBondContact O-N 3.45Å; M302-S306 PolarHBondContact O-OG 3.07Å; L303-S306 PolarHBondContact O-N 3.37Å; S306-S310 PolarHBondContact O-N 2.86Å |
| 307 | N | 56 | Low | 54.4 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.5 | -30.4 | 174.3 | -96.1 | 4 | 0 | 0 | 0 | 113.2 | L303 S310 L311 | L303-N307 PolarHBondContact O-N 3.08Å; N307-S310 PolarHBondContact O-OG 3.47Å; N307-L311 VanDerWaalsContact O-CD1 3.28Å; N307-L311 WeakPolarHBondContact O-CD1 3.32Å |
| 308 | S | 55.1 | Low | 53.2 | Low | 73 Ų | 73 | 115.5 Ų | 115.5 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.1 | -36.7 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | K304 K305 L311 S312 | K304-S308 WeakPolarHBondContact O-CB 3.37Å; K304-S308 PolarHBondContact O-N 3.1Å; K304-S308 PolarHBondContact O-OG 3.19Å; K305-S308 PolarHBondContact O-N 3.39Å; S308-L311 PolarHBondContact O-N 2.88Å; S308-S312 PolarHBondContact O-N 3.47Å; S308-S312 PolarHBondContact O-OG 2.87Å |
| 309 | N | 52.2 | Low | 52 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 60% | 0.599 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.6 | -25.7 | 179.6 | -71.6 | -9.2 | 0 | 0 | 0 | 113.3 | K305 S312 | K305-N309 VanDerWaalsContact O-CG 3.32Å; K305-N309 PolarHBondContact O-N 3.03Å; N309-S312 PolarHBondContact O-OG 3.49Å |
| 310 | S | 52.2 | Low | 50.8 | Low | 80 Ų | 80 | 116.1 Ų | 116.1 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.1 | -24.5 | 175.6 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | S306 N307 | S306-S310 PolarHBondContact O-N 2.86Å; N307-S310 PolarHBondContact O-OG 3.47Å |
| 311 | L | 47.2 | Very low | 49.7 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -87.3 | -20.6 | 175.9 | -86.5 | 113.4 | 0 | 0 | 0 | 114.4 | N307 S308 | N307-L311 VanDerWaalsContact O-CD1 3.28Å; N307-L311 WeakPolarHBondContact O-CD1 3.32Å; S308-L311 PolarHBondContact O-N 2.88Å |
| 312 | S | 47.3 | Very low | 48.7 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 61% | 0.608 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -86.8 | -8.7 | 179 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | S308 N309 K314 | S308-S312 PolarHBondContact O-N 3.47Å; S308-S312 PolarHBondContact O-OG 2.87Å; N309-S312 PolarHBondContact O-OG 3.49Å; S312-K314 VanDerWaalsContact C-N 3.34Å; S312-K314 PolarHBondContact O-N 3.4Å |
| 313 | S | 45.3 | Very low | 47.8 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | trans | -93.3 | 49.6 | 179.8 | -169.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 314 | K | 43.8 | Very low | 46.6 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | trans | -137 | 41.3 | 175.2 | -130.2 | 179.4 | -167.2 | 178 | 0 | 113.2 | S312 | S312-K314 VanDerWaalsContact C-N 3.34Å; S312-K314 PolarHBondContact O-N 3.4Å | ||
| 315 | R | 40.1 | Very low | 45.5 | Very low | 229 Ų | 229 | 131.7 Ų | 131.7 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | trans | -152.1 | 88.9 | 166.5 | -65.7 | -169.6 | -178.7 | 174.9 | 0.4 | 109.9 | ||||
| 316 | H | 43.6 | Very low | 44.5 | Very low | 202 Ų | 202 | 132.2 Ų | 132.2 | 94% | 0.935 | 72% | 0.719 | S | S | * | * | trans | -175.2 | 132.8 | 134 | -101.4 | -72 | 0 | 0 | 0 | 110.4 | ||||
| 317 | D | 35.3 | Very low | 43.9 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -76.6 | 158.4 | -176.9 | -112.3 | -34.9 | 0 | 0 | 0 | 113.2 | ||||
| 318 | S | 38.1 | Very low | 43.3 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | 76.9 | 128.8 | 147.3 | 56.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 319 | S | 37.9 | Very low | 42.6 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 96.6 | 111.3 | 148.3 | 73.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 320 | A | 37.8 | Very low | 42 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 2.1 | 117.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 321 | Q | 40.6 | Very low | 41.6 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | -161.5 | 142.9 | 119.8 | -141.9 | 108.6 | 23.7 | 0 | 0 | 109.8 | |||||
| 322 | S | 42.4 | Very low | 41.7 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -56.1 | 155.5 | 169.5 | 52 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 323 | I | 40.5 | Very low | 41.5 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | 144.7 | 129.7 | 143.8 | -72 | 155.1 | 0 | 0 | 0 | 109.8 | ||||
| 324 | N | 38 | Very low | 41.5 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | trans | 86.3 | 86 | 169.6 | -62.1 | -19 | 0 | 0 | 0 | 119.1 | D326 | N324-D326 VanDerWaalsContact C-N 3.34Š| ||
| 325 | R | 41.3 | Very low | 41.7 | Very low | 225 Ų | 225 | 131 Ų | 131 | 85% | 0.849 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -82.7 | -1.9 | 158.9 | -100.7 | -175.9 | 174.1 | 169.8 | -1.7 | 114.2 | ||
| 326 | D | 41.9 | Very low | 42.1 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 6.7 | -176 | -66.7 | -32.1 | 0 | 0 | 0 | 115.3 | N324 | N324-D326 VanDerWaalsContact C-N 3.34Š|
| 327 | K | 45 | Very low | 42.6 | Very low | 160 Ų | 160 | 119.3 Ų | 119.3 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 7.8 | 176.6 | -86.7 | -171.5 | 175.1 | -176.5 | 0 | 115.2 | S331 | K327-S331 PolarHBondContact O-OG 2.83Š|
| 328 | I | 44 | Very low | 43.5 | Very low | 126 Ų | 126 | 119 Ų | 119 | 65% | 0.646 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -95.6 | -17.1 | -179.6 | -65.9 | 174.2 | 0 | 0 | 0 | 112.3 | ||
| 329 | L | 39.6 | Very low | 44.5 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -77 | -38.3 | 173.9 | -89 | 100.4 | 0 | 0 | 0 | 113.1 | S331 S332 E333 | L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.39Å; L329-S332 PolarHBondContact O-N 3.3Å; L329-E333 PolarHBondContact O-N 3.06Å |
| 330 | D | 39.7 | Very low | 45.7 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 54% | 0.54 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.8 | -29.3 | -179.7 | -91.1 | -8.3 | 0 | 0 | 0 | 113.5 | S332 L334 | D330-S332 VanDerWaalsContact C-N 3.3Å; D330-S332 PolarHBondContact O-N 3.23Å; D330-L334 WeakPolarHBondContact O-CB 3.38Å; D330-L334 WeakPolarHBondContact O-CD1 3.46Å; D330-L334 PolarHBondContact O-N 3.46Å; D330-L334 VanDerWaalsContact O-N 3.08Å |
| 331 | S | 45.2 | Very low | 47.2 | Very low | 79 Ų | 79 | 117.4 Ų | 117.4 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.7 | -24.6 | -179.9 | -6 | 0 | 0 | 0 | 0 | 113.1 | K327 L329 G335 | K327-S331 PolarHBondContact O-OG 2.83Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.39Å; S331-G335 PolarHBondContact O-N 2.85Å |
| 332 | S | 47.7 | Very low | 48.9 | Very low | 88 Ų | 88 | 111 Ų | 111 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.2 | -38.7 | 177 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | L329 D330 G335 S336 | L329-S332 PolarHBondContact O-N 3.3Å; D330-S332 VanDerWaalsContact C-N 3.3Å; D330-S332 PolarHBondContact O-N 3.23Å; S332-G335 PolarHBondContact O-N 3.5Å; S332-S336 PolarHBondContact O-N 3.4Å |
| 333 | E | 43.4 | Very low | 50.5 | Low | 137 Ų | 137 | 111.8 Ų | 111.8 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.2 | -41.4 | 176.7 | -74.3 | -174.4 | 164.5 | 0 | 0 | 111.3 | L329 G335 S336 D337 | L329-E333 PolarHBondContact O-N 3.06Å; E333-G335 PolarHBondContact O-N 3.02Å; E333-S336 PolarHBondContact O-N 3.38Å; E333-D337 WeakPolarHBondContact O-CB 3.47Å; E333-D337 PolarHBondContact O-N 2.91Å |
| 334 | L | 45.1 | Very low | 52.5 | Low | 93 Ų | 93 | 106.8 Ų | 106.8 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.5 | -20.5 | 171.2 | -91.6 | 139.3 | 0 | 0 | 0 | 114 | D330 R338 | D330-L334 WeakPolarHBondContact O-CB 3.38Å; D330-L334 WeakPolarHBondContact O-CD1 3.46Å; D330-L334 PolarHBondContact O-N 3.46Å; D330-L334 VanDerWaalsContact O-N 3.08Å; L334-R338 WeakPolarHBondContact O-CD 3.43Å; L334-R338 WeakPolarHBondContact O-CG 3.48Å; L334-R338 PolarHBondContact O-NE 2.98Å; L334-R338 VanDerWaalsContact O-NE 3.14Å |
| 335 | G | 47.7 | Very low | 54.5 | Low | 33 Ų | 33 | 101.9 Ų | 101.9 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79 | -47 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S331 S332 E333 D337 R338 V339 | S331-G335 PolarHBondContact O-N 2.85Å; S332-G335 PolarHBondContact O-N 3.5Å; E333-G335 PolarHBondContact O-N 3.02Å; G335-D337 PolarHBondContact O-N 2.82Å; G335-R338 PolarHBondContact O-N 3.38Å; G335-V339 VanDerWaalsContact O-CG2 3.28Å; G335-V339 WeakPolarHBondContact O-CG2 3.34Å; G335-V339 PolarHBondContact O-N 3.23Å |
| 336 | S | 50.2 | Low | 56.5 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 179.2 | -162.1 | 0 | 0 | 0 | 0 | 112.4 | S332 E333 R338 V339 L340 | S332-S336 PolarHBondContact O-N 3.4Å; E333-S336 PolarHBondContact O-N 3.38Å; S336-R338 PolarHBondContact O-N 3.14Å; S336-V339 PolarHBondContact O-N 3.11Å; S336-L340 WeakPolarHBondContact O-CG 3.34Å; S336-L340 PolarHBondContact O-N 3.49Å; S336-L340 VanDerWaalsContact O-N 3.1Å |
| 337 | D | 53.8 | Low | 58.6 | Low | 112 Ų | 112 | 91 Ų | 91 | 60% | 0.599 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.9 | -31.3 | -179.2 | -145.6 | 22.8 | 0 | 0 | 0 | 112 | E333 G335 V341 | E333-D337 WeakPolarHBondContact O-CB 3.47Å; E333-D337 PolarHBondContact O-N 2.91Å; G335-D337 PolarHBondContact O-N 2.82Å; D337-V341 WeakPolarHBondContact O-CG2 3.31Å; D337-V341 PolarHBondContact O-N 3.41Å |
| 338 | R | 54.4 | Low | 60.6 | Low | 145 Ų | 145 | 83.8 Ų | 83.8 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.1 | -36.7 | 172.3 | -71.4 | 177.9 | -148.5 | -117.6 | 4.1 | 112.8 | L334 G335 S336 L340 V341 I342 | L334-R338 WeakPolarHBondContact O-CD 3.43Å; L334-R338 WeakPolarHBondContact O-CG 3.48Å; L334-R338 PolarHBondContact O-NE 2.98Å; L334-R338 VanDerWaalsContact O-NE 3.14Å; G335-R338 PolarHBondContact O-N 3.38Å; S336-R338 PolarHBondContact O-N 3.14Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-V341 PolarHBondContact O-N 3.1Å; R338-I342 VanDerWaalsContact O-CG1 3.31Å; R338-I342 WeakPolarHBondContact O-CG1 3.35Å; R338-I342 PolarHBondContact O-N 3.08Å |
| 339 | V | 58.6 | Low | 62.7 | Low | 89 Ų | 89 | 78.4 Ų | 78.4 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | G335 S336 V341 I342 E343 | G335-V339 VanDerWaalsContact O-CG2 3.28Å; G335-V339 WeakPolarHBondContact O-CG2 3.34Å; G335-V339 PolarHBondContact O-N 3.23Å; S336-V339 PolarHBondContact O-N 3.11Å; V339-V341 VanDerWaalsContact C-N 3.29Å; V339-V341 PolarHBondContact O-N 2.88Å; V339-I342 PolarHBondContact O-N 3.32Å; V339-E343 PolarHBondContact O-N 2.96Å |
| 340 | L | 63.9 | Low | 65 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -31.5 | 177.8 | -72.2 | 168.6 | 0 | 0 | 0 | 113.5 | S336 R338 P344 | S336-L340 WeakPolarHBondContact O-CG 3.34Å; S336-L340 PolarHBondContact O-N 3.49Å; S336-L340 VanDerWaalsContact O-N 3.1Å; R338-L340 VanDerWaalsContact C-N 3.32Å; L340-P344 WeakPolarHBondContact O-CD 3.28Å |
| 341 | V | 68.8 | Low | 67.4 | Low | 91 Ų | 91 | 75 Ų | 75 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -78.9 | -30.1 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | D337 R338 V339 | D337-V341 WeakPolarHBondContact O-CG2 3.31Å; D337-V341 PolarHBondContact O-N 3.41Å; R338-V341 PolarHBondContact O-N 3.1Å; V339-V341 VanDerWaalsContact C-N 3.29Å; V339-V341 PolarHBondContact O-N 2.88Å |
| 342 | I | 74.9 | Confident | 69.5 | Low | 52 Ų | 52 | 71.3 Ų | 71.3 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -83.2 | -31.2 | -177 | -66.9 | 168.4 | 0 | 0 | 0 | 111.6 | L303 R338 V339 I345 I346 | L303-I342 HydrophobicContact CD1-CD1 4.14Å; R338-I342 VanDerWaalsContact O-CG1 3.31Å; R338-I342 WeakPolarHBondContact O-CG1 3.35Å; R338-I342 PolarHBondContact O-N 3.08Å; V339-I342 PolarHBondContact O-N 3.32Å; I342-I345 WeakPolarHBondContact O-CB 3.45Å; I342-I345 PolarHBondContact O-N 3.46Å; I342-I345 VanDerWaalsContact O-N 3.07Å; I342-I346 HydrophobicContact CG2-CD1 3.6Å; I342-I346 HydrophobicContact CG2-CG1 3.91Å; I342-I346 PolarHBondContact O-N 3.3Å |
| 343 | E | 78 | Confident | 71.5 | Confident | 112 Ų | 112 | 67.4 Ų | 67.4 | 52% | 0.523 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | -175.5 | -173.1 | 167.2 | -162.6 | 0 | 0 | 113.5 | V339 I345 I346 V347 | V339-E343 PolarHBondContact O-N 2.96Å; E343-I345 VanDerWaalsContact C-N 3.3Å; E343-I345 PolarHBondContact O-N 3.5Å; E343-I346 WeakPolarHBondContact O-CB 3.47Å; E343-I346 PolarHBondContact O-N 2.85Å; E343-V347 WeakPolarHBondContact O-CG2 3.31Å; E343-V347 PolarHBondContact O-N 2.88Å |
| 344 | P | 81.1 | Confident | 73.9 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -36 | 173.7 | -23.6 | 34.3 | 0 | 0 | 0 | 113.3 | F235 L340 V347 E348 | F235-P344 VanDerWaalsContact CE1-O 3.25Å; F235-P344 WeakPolarHBondContact CE1-O 3.19Å; L340-P344 WeakPolarHBondContact O-CD 3.28Å; P344-V347 PolarHBondContact O-N 3.18Å; P344-E348 WeakPolarHBondContact O-CB 3.35Å; P344-E348 PolarHBondContact O-N 3.31Å |
| 345 | I | 81.2 | Confident | 76.1 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 178.4 | -61.1 | 176.8 | 0 | 0 | 0 | 110.6 | F290 H294 L296 L299 I342 E343 E348 T349 | F290-I345 HydrophobicContact CZ-CG2 4.1Å; H294-I345 HydrophobicContact CB-CD1 4.19Å; H294-I345 WeakPolarHBondContact ND1-CG1 3.35Å; L296-I345 HydrophobicContact CD1-CG2 4.4Å; L296-I345 HydrophobicContact CD2-CD1 4.13Å; L296-I345 HydrophobicContact CD2-CG2 3.46Å; L296-I345 VanDerWaalsContact CD2-CG2 3.46Å; L299-I345 HydrophobicContact CD1-CD1 4.18Å; I342-I345 WeakPolarHBondContact O-CB 3.45Å; I342-I345 PolarHBondContact O-N 3.46Å; I342-I345 VanDerWaalsContact O-N 3.07Å; E343-I345 VanDerWaalsContact C-N 3.3Å; E343-I345 PolarHBondContact O-N 3.5Å; I345-E348 PolarHBondContact O-N 3.05Å; I345-T349 WeakPolarHBondContact O-CB 3.37Å; I345-T349 PolarHBondContact O-N 3.39Å; I345-T349 PolarHBondContact O-OG1 2.86Å |
| 346 | I | 82.3 | Confident | 78.2 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 176.1 | -79.7 | 174.9 | 0 | 0 | 0 | 110.2 | I342 E343 E348 T349 L350 Y408 | I342-I346 HydrophobicContact CG2-CD1 3.6Å; I342-I346 HydrophobicContact CG2-CG1 3.91Å; I342-I346 PolarHBondContact O-N 3.3Å; E343-I346 WeakPolarHBondContact O-CB 3.47Å; E343-I346 PolarHBondContact O-N 2.85Å; I346-E348 VanDerWaalsContact C-N 3.31Å; I346-E348 PolarHBondContact O-N 3.39Å; I346-T349 PolarHBondContact O-N 3.48Å; I346-L350 WeakPolarHBondContact O-CB 3.32Å; I346-L350 PolarHBondContact O-N 3.2Å; I346-Y408 HydrophobicContact CB-CE2 4.36Å; I346-Y408 HydrophobicContact CG1-CD2 4.38Å; I346-Y408 HydrophobicContact CG1-CE2 4.28Å; I346-Y408 HydrophobicContact CG2-CD2 4.16Å; I346-Y408 HydrophobicContact CG2-CE2 3.43Å; I346-Y408 VanDerWaalsContact CG2-CE2 3.43Å |
| 347 | V | 86.4 | Confident | 80.2 | Confident | 71 Ų | 71 | 58 Ų | 58 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | -179.8 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | F235 E343 P344 L350 Q351 | F235-V347 HydrophobicContact CD1-CG1 4.36Å; F235-V347 HydrophobicContact CE1-CB 3.69Å; F235-V347 HydrophobicContact CE1-CG1 3.5Å; F235-V347 HydrophobicContact CZ-CB 4.1Å; F235-V347 HydrophobicContact CZ-CG1 3.72Å; E343-V347 WeakPolarHBondContact O-CG2 3.31Å; E343-V347 PolarHBondContact O-N 2.88Å; P344-V347 PolarHBondContact O-N 3.18Å; V347-L350 PolarHBondContact O-N 2.99Å; V347-Q351 WeakPolarHBondContact O-CB 3.32Å; V347-Q351 PolarHBondContact O-N 3.35Å |
| 348 | E | 87.3 | Confident | 82.1 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.3 | -160 | 165.6 | 179.2 | 0 | 0 | 112 | F235 V236 S237 A238 F290 H294 P344 I345 I346 L350 Q351 I352 | F235-E348 VanDerWaalsContact CA-CD 3.41Å; F235-E348 WeakPolarHBondContact CA-OE1 3.31Å; F235-E348 HydrophobicContact CB-CG 4.26Å; F235-E348 HydrophobicContact CD1-CB 3.58Å; F235-E348 HydrophobicContact CD1-CG 3.9Å; F235-E348 HydrophobicContact CE1-CB 4.13Å; V236-E348 PolarHBondContact N-OE1 2.88Å; S237-E348 WeakPolarHBondContact CA-OE1 3.38Å; S237-E348 WeakPolarHBondContact CB-OE1 3.43Å; S237-E348 PolarHBondContact N-OE1 3.04Å; A238-E348 HydrophobicContact CB-CG 3.57Å; A238-E348 PolarHBondContact N-OE1 3.01Å; A238-E348 VanDerWaalsContact N-OE1 3.1Å; F290-E348 HydrophobicContact CD2-CG 4.42Å; F290-E348 HydrophobicContact CE2-CB 3.98Å; F290-E348 VanDerWaalsContact CE2-CD 3.48Å; F290-E348 HydrophobicContact CE2-CG 3.81Å; F290-E348 WeakPolarHBondContact CE2-OE2 3.42Å; F290-E348 HydrophobicContact CZ-CB 4.3Å; F290-E348 HydrophobicContact CZ-CG 4.47Å; H294-E348 IonicContact NE2-OE2 3.43Å; P344-E348 WeakPolarHBondContact O-CB 3.35Å; P344-E348 PolarHBondContact O-N 3.31Å; I345-E348 PolarHBondContact O-N 3.05Å; I346-E348 VanDerWaalsContact C-N 3.31Å; I346-E348 PolarHBondContact O-N 3.39Å; E348-L350 VanDerWaalsContact C-N 3.35Å; E348-L350 PolarHBondContact O-N 2.84Å; E348-Q351 WeakPolarHBondContact O-CB 3.33Å; E348-Q351 PolarHBondContact O-N 2.96Å; E348-I352 HydrophobicContact CG-CD1 4.38Å; E348-I352 WeakPolarHBondContact O-CG1 3.31Å; E348-I352 PolarHBondContact O-N 3.36Å |
| 349 | T | 86.6 | Confident | 84.1 | Confident | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | I345 I346 Q351 I352 I353 L404 | I345-T349 WeakPolarHBondContact O-CB 3.37Å; I345-T349 PolarHBondContact O-N 3.39Å; I345-T349 PolarHBondContact O-OG1 2.86Å; I346-T349 PolarHBondContact O-N 3.48Å; T349-Q351 VanDerWaalsContact C-N 3.3Å; T349-Q351 PolarHBondContact O-N 2.91Å; T349-I352 PolarHBondContact O-N 2.86Å; T349-I353 HydrophobicContact CG2-CD1 3.97Å; T349-I353 WeakPolarHBondContact O-CG1 3.35Å; T349-I353 PolarHBondContact O-N 3.47Å; T349-L404 HydrophobicContact CG2-CB 4.11Å; T349-L404 HydrophobicContact CG2-CD2 3.88Å |
| 350 | L | 88.4 | Confident | 85.7 | Confident | 77 Ų | 77 | 47.6 Ų | 47.6 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 177.4 | -176.2 | 64.3 | 0 | 0 | 0 | 111.6 | I346 V347 E348 I353 T354 | I346-L350 WeakPolarHBondContact O-CB 3.32Å; I346-L350 PolarHBondContact O-N 3.2Å; V347-L350 PolarHBondContact O-N 2.99Å; E348-L350 VanDerWaalsContact C-N 3.35Å; E348-L350 PolarHBondContact O-N 2.84Å; L350-I353 PolarHBondContact O-N 2.85Å; L350-T354 WeakPolarHBondContact O-CB 3.44Å; L350-T354 PolarHBondContact O-N 3.27Å; L350-T354 PolarHBondContact O-OG1 3.37Å |
| 351 | Q | 90.3 | Very high | 87.1 | Confident | 85 Ų | 85 | 48.6 Ų | 48.6 | 40% | 0.397 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 176.1 | -172.6 | 65.6 | 10.9 | 0 | 0 | 111.4 | A238 V347 E348 T349 I353 T354 C355 | A238-Q351 HydrophobicContact CB-CB 3.87Å; A238-Q351 HydrophobicContact CB-CG 3.77Å; V347-Q351 WeakPolarHBondContact O-CB 3.32Å; V347-Q351 PolarHBondContact O-N 3.35Å; E348-Q351 WeakPolarHBondContact O-CB 3.33Å; E348-Q351 PolarHBondContact O-N 2.96Å; T349-Q351 VanDerWaalsContact C-N 3.3Å; T349-Q351 PolarHBondContact O-N 2.91Å; Q351-I353 VanDerWaalsContact C-N 3.35Å; Q351-I353 PolarHBondContact O-N 3.36Å; Q351-T354 PolarHBondContact O-N 2.84Å; Q351-C355 PolarHBondContact O-N 2.85Å; Q351-C355 PolarHBondContact O-SG 3.26Å |
| 352 | I | 90.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 175.6 | -67.2 | 169.7 | 0 | 0 | 0 | 111.1 | A238 I241 F290 E348 T349 C355 S356 L404 | A238-I352 HydrophobicContact CB-CG1 3.82Å; I241-I352 HydrophobicContact CD1-CD1 4.1Å; I241-I352 HydrophobicContact CD1-CG1 3.97Å; I241-I352 HydrophobicContact CD1-CG2 3.87Å; F290-I352 HydrophobicContact CD1-CD1 4.35Å; F290-I352 HydrophobicContact CD2-CD1 4.46Å; F290-I352 HydrophobicContact CE1-CD1 4.49Å; F290-I352 HydrophobicContact CG-CD1 4.33Å; E348-I352 HydrophobicContact CG-CD1 4.38Å; E348-I352 WeakPolarHBondContact O-CG1 3.31Å; E348-I352 PolarHBondContact O-N 3.36Å; T349-I352 PolarHBondContact O-N 2.86Å; I352-C355 PolarHBondContact O-SG 3.35Å; I352-S356 VanDerWaalsContact O-CB 3.25Å; I352-S356 WeakPolarHBondContact O-CB 3.48Å; I352-S356 PolarHBondContact O-N 2.97Å; I352-S356 VanDerWaalsContact O-N 3.14Å; I352-S356 PolarHBondContact O-OG 2.83Å; I352-L404 HydrophobicContact CG2-CD1 3.75Å |
| 353 | I | 89.7 | Confident | 89.2 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 177.3 | -70.4 | 166.5 | 0 | 0 | 0 | 109.9 | T349 L350 Q351 C355 S356 E357 V401 L404 L405 | T349-I353 HydrophobicContact CG2-CD1 3.97Å; T349-I353 WeakPolarHBondContact O-CG1 3.35Å; T349-I353 PolarHBondContact O-N 3.47Å; L350-I353 PolarHBondContact O-N 2.85Å; Q351-I353 VanDerWaalsContact C-N 3.35Å; Q351-I353 PolarHBondContact O-N 3.36Å; I353-C355 PolarHBondContact O-N 3.31Å; I353-S356 PolarHBondContact O-N 3.49Å; I353-E357 PolarHBondContact O-N 2.84Å; I353-V401 HydrophobicContact CB-CG1 4.5Å; I353-V401 HydrophobicContact CG1-CG1 4.39Å; I353-V401 HydrophobicContact CG2-CG1 4.03Å; I353-L404 HydrophobicContact CD1-CB 4.04Å; I353-L404 HydrophobicContact CG1-CB 4.02Å; I353-L405 HydrophobicContact CD1-CB 4.17Å; I353-L405 HydrophobicContact CD1-CD1 4.03Å; I353-L405 HydrophobicContact CG2-CD1 4.38Å |
| 354 | T | 92.6 | Very high | 89.8 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.5 | -47.7 | -175.3 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | L350 Q351 S356 E357 L358 | L350-T354 WeakPolarHBondContact O-CB 3.44Å; L350-T354 PolarHBondContact O-N 3.27Å; L350-T354 PolarHBondContact O-OG1 3.37Å; Q351-T354 PolarHBondContact O-N 2.84Å; T354-S356 VanDerWaalsContact C-N 3.34Å; T354-S356 PolarHBondContact O-N 3.4Å; T354-E357 PolarHBondContact O-N 3.33Å; T354-L358 HydrophobicContact CG2-CD1 4.24Å; T354-L358 VanDerWaalsContact O-CG 3.32Å; T354-L358 WeakPolarHBondContact O-CG 3.48Å; T354-L358 PolarHBondContact O-N 3.42Å |
| 355 | C | 91.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.9 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | L245 Q351 I352 I353 L358 Y359 | L245-C355 HydrophobicContact CD1-CB 4.32Å; Q351-C355 PolarHBondContact O-N 2.85Å; Q351-C355 PolarHBondContact O-SG 3.26Å; I352-C355 PolarHBondContact O-SG 3.35Å; I353-C355 PolarHBondContact O-N 3.31Å; C355-L358 PolarHBondContact O-N 3.5Å; C355-Y359 PolarHBondContact O-N 2.89Å; C355-Y359 VanDerWaalsContact O-N 3.07Å |
| 356 | S | 92.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | I352 I353 T354 L358 Y359 L360 | I352-S356 VanDerWaalsContact O-CB 3.25Å; I352-S356 WeakPolarHBondContact O-CB 3.48Å; I352-S356 PolarHBondContact O-N 2.97Å; I352-S356 VanDerWaalsContact O-N 3.14Å; I352-S356 PolarHBondContact O-OG 2.83Å; I353-S356 PolarHBondContact O-N 3.49Å; T354-S356 VanDerWaalsContact C-N 3.34Å; T354-S356 PolarHBondContact O-N 3.4Å; S356-L358 PolarHBondContact O-N 2.84Å; S356-Y359 PolarHBondContact O-N 2.74Å; S356-L360 WeakPolarHBondContact O-CB 3.39Å; S356-L360 VanDerWaalsContact O-CG 3.28Å; S356-L360 WeakPolarHBondContact O-CG 3.48Å; S356-L360 PolarHBondContact O-N 3.42Å |
| 357 | E | 91.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.7 | -78.4 | -165.9 | 178.2 | 0 | 0 | 113 | I353 T354 Y359 L360 R361 V401 | I353-E357 PolarHBondContact O-N 2.84Å; T354-E357 PolarHBondContact O-N 3.33Å; E357-Y359 VanDerWaalsContact C-N 3.34Å; E357-L360 PolarHBondContact O-N 3.26Å; E357-R361 WeakPolarHBondContact O-CB 3.48Å; E357-R361 WeakPolarHBondContact O-CG 3.48Å; E357-R361 PolarHBondContact O-N 3.16Å; E357-R361 IonicContact OE2-CZ 2.83Å; E357-R361 IonicContact OE2-NH2 2.98Å; E357-R361 PolarHBondContact OE2-NH2 2.81Å; E357-V401 HydrophobicContact CG-CG1 4.42Å |
| 358 | L | 94.3 | Very high | 91.3 | Very high | 103 Ų | 103 | 48.7 Ų | 48.7 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -45 | 177.3 | -74.9 | 171.7 | 0 | 0 | 0 | 111 | T354 C355 S356 R361 F362 | T354-L358 HydrophobicContact CG2-CD1 4.24Å; T354-L358 VanDerWaalsContact O-CG 3.32Å; T354-L358 WeakPolarHBondContact O-CG 3.48Å; T354-L358 PolarHBondContact O-N 3.42Å; C355-L358 PolarHBondContact O-N 3.5Å; S356-L358 PolarHBondContact O-N 2.84Å; L358-R361 PolarHBondContact O-N 2.91Å; L358-F362 WeakPolarHBondContact O-CB 3.5Å; L358-F362 PolarHBondContact O-N 2.88Å |
| 359 | Y | 95.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 174.4 | 169.9 | -99.6 | 0 | 0 | 0 | 111.9 | L245 V248 A249 H276 V279 C355 S356 E357 R361 F362 I363 L397 | L245-Y359 HydrophobicContact CD2-CD1 3.85Å; L245-Y359 HydrophobicContact CD2-CD2 4.11Å; L245-Y359 HydrophobicContact CD2-CE1 4.32Å; L245-Y359 HydrophobicContact CD2-CG 3.74Å; V248-Y359 HydrophobicContact CB-CE2 4.5Å; V248-Y359 HydrophobicContact CG1-CE2 4.06Å; A249-Y359 HydrophobicContact CB-CD2 4.36Å; H276-Y359 AromaticContact CE1-CE1 3.98Å; H276-Y359 AromaticContact ND1-CE1 3.55Å; V279-Y359 HydrophobicContact CG1-CE1 4.01Å; C355-Y359 PolarHBondContact O-N 2.89Å; C355-Y359 VanDerWaalsContact O-N 3.07Å; S356-Y359 PolarHBondContact O-N 2.74Å; E357-Y359 VanDerWaalsContact C-N 3.34Å; Y359-R361 VanDerWaalsContact C-N 3.34Å; Y359-R361 PolarHBondContact O-N 2.86Å; Y359-F362 WeakPolarHBondContact O-CB 3.33Å; Y359-F362 PolarHBondContact O-N 3.36Å; Y359-F362 VanDerWaalsContact O-N 3.11Å; Y359-I363 HydrophobicContact CD1-CD1 4.21Å; Y359-I363 HydrophobicContact CD2-CG2 4.33Å; Y359-I363 HydrophobicContact CE1-CD1 3.61Å; Y359-I363 HydrophobicContact CE1-CG2 4.37Å; Y359-I363 HydrophobicContact CE2-CG2 3.77Å; Y359-I363 WeakPolarHBondContact O-CG1 3.47Å; Y359-I363 PolarHBondContact O-N 2.98Å; Y359-L397 HydrophobicContact CD1-CD2 3.77Å; Y359-L397 HydrophobicContact CE1-CD2 4.08Å |
| 360 | L | 92.8 | Very high | 91.6 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 178.5 | -72.8 | 169.2 | 0 | 0 | 0 | 111.7 | S356 E357 F362 I363 Q364 F392 L397 V398 | S356-L360 WeakPolarHBondContact O-CB 3.39Å; S356-L360 VanDerWaalsContact O-CG 3.28Å; S356-L360 WeakPolarHBondContact O-CG 3.48Å; S356-L360 PolarHBondContact O-N 3.42Å; E357-L360 PolarHBondContact O-N 3.26Å; L360-F362 VanDerWaalsContact C-N 3.34Å; L360-F362 PolarHBondContact O-N 3.32Å; L360-I363 HydrophobicContact CD2-CD1 4.21Å; L360-I363 WeakPolarHBondContact O-CG1 3.44Å; L360-I363 PolarHBondContact O-N 3.48Å; L360-Q364 VanDerWaalsContact O-CB 3.31Å; L360-Q364 WeakPolarHBondContact O-CB 3.33Å; L360-Q364 VanDerWaalsContact O-CG 3.24Å; L360-Q364 WeakPolarHBondContact O-CG 3.4Å; L360-Q364 PolarHBondContact O-N 3.4Å; L360-F392 HydrophobicContact CD2-CD1 4.19Å; L360-F392 HydrophobicContact CD2-CE1 4.32Å; L360-L397 HydrophobicContact CD1-CD2 4.46Å; L360-L397 HydrophobicContact CD2-CD2 4.04Å; L360-L397 HydrophobicContact CG-CD2 4.07Å; L360-V398 HydrophobicContact CD1-CG2 3.74Å; L360-V398 HydrophobicContact CD2-CG2 3.86Å; L360-V398 HydrophobicContact CG-CG2 4.48Å |
| 361 | R | 92.5 | Very high | 91.5 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 46% | 0.46 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.6 | -76.2 | -174.5 | -117.3 | 167 | -4.8 | 112.1 | E357 L358 Y359 R365 | E357-R361 WeakPolarHBondContact O-CB 3.48Å; E357-R361 WeakPolarHBondContact O-CG 3.48Å; E357-R361 PolarHBondContact O-N 3.16Å; E357-R361 IonicContact OE2-CZ 2.83Å; E357-R361 IonicContact OE2-NH2 2.98Å; E357-R361 PolarHBondContact OE2-NH2 2.81Å; L358-R361 PolarHBondContact O-N 2.91Å; Y359-R361 VanDerWaalsContact C-N 3.34Å; Y359-R361 PolarHBondContact O-N 2.86Å; R361-R365 WeakPolarHBondContact O-CB 3.26Å; R361-R365 PolarHBondContact O-N 2.94Å |
| 362 | F | 94.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -53.3 | 176.2 | 161.9 | -103 | 0 | 0 | 0 | 111.3 | A249 K253 L358 Y359 L360 Q364 R365 R366 | A249-F362 HydrophobicContact CB-CD1 4Å; A249-F362 HydrophobicContact CB-CE1 3.88Å; K253-F362 HydrophobicContact CB-CZ 4.09Å; L358-F362 WeakPolarHBondContact O-CB 3.5Å; L358-F362 PolarHBondContact O-N 2.88Å; Y359-F362 WeakPolarHBondContact O-CB 3.33Å; Y359-F362 PolarHBondContact O-N 3.36Å; Y359-F362 VanDerWaalsContact O-N 3.11Å; L360-F362 VanDerWaalsContact C-N 3.34Å; L360-F362 PolarHBondContact O-N 3.32Å; F362-Q364 PolarHBondContact O-N 3.46Å; F362-R365 PolarHBondContact O-N 2.98Å; F362-R366 WeakPolarHBondContact O-CB 3.49Å; F362-R366 PolarHBondContact O-N 3.33Å |
| 363 | I | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | -178.5 | 61.5 | -178.5 | 0 | 0 | 0 | 112 | L252 V272 Y359 L360 R365 R366 I367 F392 | L252-I363 HydrophobicContact CD1-CG2 4.22Å; V272-I363 HydrophobicContact CG1-CB 4.02Å; V272-I363 HydrophobicContact CG1-CG2 4.25Å; Y359-I363 HydrophobicContact CD1-CD1 4.21Å; Y359-I363 HydrophobicContact CD2-CG2 4.33Å; Y359-I363 HydrophobicContact CE1-CD1 3.61Å; Y359-I363 HydrophobicContact CE1-CG2 4.37Å; Y359-I363 HydrophobicContact CE2-CG2 3.77Å; Y359-I363 WeakPolarHBondContact O-CG1 3.47Å; Y359-I363 PolarHBondContact O-N 2.98Å; L360-I363 HydrophobicContact CD2-CD1 4.21Å; L360-I363 WeakPolarHBondContact O-CG1 3.44Å; L360-I363 PolarHBondContact O-N 3.48Å; I363-R365 PolarHBondContact O-N 3.3Å; I363-R366 PolarHBondContact O-N 2.82Å; I363-I367 WeakPolarHBondContact O-CG1 3.49Å; I363-I367 PolarHBondContact O-N 3.47Å; I363-F392 HydrophobicContact CD1-CE1 3.38Å; I363-F392 HydrophobicContact CD1-CZ 3.75Å; I363-F392 HydrophobicContact CG1-CE1 3.86Å; I363-F392 HydrophobicContact CG1-CZ 3.78Å |
| 364 | Q | 91.5 | Very high | 90.8 | Very high | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -44 | 175.7 | -77.5 | 177.1 | -2.3 | 0 | 0 | 111.9 | L360 F362 R366 S368 F392 | L360-Q364 VanDerWaalsContact O-CB 3.31Å; L360-Q364 WeakPolarHBondContact O-CB 3.33Å; L360-Q364 VanDerWaalsContact O-CG 3.24Å; L360-Q364 WeakPolarHBondContact O-CG 3.4Å; L360-Q364 PolarHBondContact O-N 3.4Å; F362-Q364 PolarHBondContact O-N 3.46Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; Q364-S368 WeakPolarHBondContact O-CB 3.28Å; Q364-S368 PolarHBondContact O-N 3.46Å; Q364-S368 PolarHBondContact O-OG 3.07Å; Q364-F392 HydrophobicContact CG-CD2 3.83Å; Q364-F392 HydrophobicContact CG-CE1 4.36Å; Q364-F392 HydrophobicContact CG-CE2 3.46Å; Q364-F392 VanDerWaalsContact CG-CE2 3.46Å; Q364-F392 HydrophobicContact CG-CG 4.4Å; Q364-F392 HydrophobicContact CG-CZ 3.78Å |
| 365 | R | 91.8 | Very high | 90.1 | Very high | 195 Ų | 195 | 61.6 Ų | 61.6 | 74% | 0.736 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | 174.2 | -88.2 | -176.3 | 170.6 | 138.8 | -2.5 | 111.7 | R361 F362 I363 S368 A369 | R361-R365 WeakPolarHBondContact O-CB 3.26Å; R361-R365 PolarHBondContact O-N 2.94Å; F362-R365 PolarHBondContact O-N 2.98Å; I363-R365 PolarHBondContact O-N 3.3Å; R365-S368 PolarHBondContact O-N 3.33Å; R365-A369 WeakPolarHBondContact O-CB 3.45Å; R365-A369 PolarHBondContact O-N 2.91Å |
| 366 | R | 90.3 | Very high | 89.4 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 21% | 0.211 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.9 | -48.8 | -179.1 | -165 | 67.8 | 172.4 | 129.6 | 1 | 111.4 | S256 E260 F362 I363 Q364 S368 A369 D370 | S256-R366 PolarHBondContact OG-NE 3.43Å; S256-R366 VanDerWaalsContact OG-NE 3.08Å; S256-R366 PolarHBondContact OG-NH2 3.36Å; E260-R366 IonicContact OE1-CZ 3.51Å; E260-R366 IonicContact OE1-NH1 3.09Å; E260-R366 PolarHBondContact OE1-NH1 2.92Å; E260-R366 IonicContact OE1-NH2 2.76Å; E260-R366 PolarHBondContact OE1-NH2 2.96Å; E260-R366 IonicContact OE2-CZ 3.82Å; E260-R366 IonicContact OE2-NH1 3.99Å; E260-R366 PolarHBondContact OE2-NH1 3.31Å; E260-R366 IonicContact OE2-NH2 3.69Å; E260-R366 PolarHBondContact OE2-NH2 3Å; F362-R366 WeakPolarHBondContact O-CB 3.49Å; F362-R366 PolarHBondContact O-N 3.33Å; I363-R366 PolarHBondContact O-N 2.82Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; R366-S368 PolarHBondContact O-N 2.83Å; R366-A369 PolarHBondContact O-N 3.21Å; R366-D370 PolarHBondContact O-N 3.29Å; R366-D370 VanDerWaalsContact O-N 3.12Å |
| 367 | I | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.6 | -63.5 | 160.9 | 0 | 0 | 0 | 110.8 | F269 V272 I363 A369 D370 I371 I388 F392 | F269-I367 HydrophobicContact CB-CG2 4.28Å; F269-I367 HydrophobicContact CD2-CD1 4.01Å; F269-I367 HydrophobicContact CD2-CG1 4.45Å; F269-I367 HydrophobicContact CD2-CG2 4.04Å; V272-I367 HydrophobicContact CB-CD1 4.14Å; V272-I367 HydrophobicContact CB-CG1 4.27Å; V272-I367 HydrophobicContact CG1-CD1 3.73Å; V272-I367 HydrophobicContact CG1-CG1 4.25Å; V272-I367 HydrophobicContact CG2-CG1 4.34Å; I363-I367 WeakPolarHBondContact O-CG1 3.49Å; I363-I367 PolarHBondContact O-N 3.47Å; I367-A369 VanDerWaalsContact C-N 3.32Å; I367-A369 PolarHBondContact O-N 2.91Å; I367-D370 PolarHBondContact O-N 3.37Å; I367-I371 HydrophobicContact CG2-CD1 3.8Å; I367-I371 WeakPolarHBondContact O-CG1 3.41Å; I367-I371 PolarHBondContact O-N 2.67Å; I367-I388 HydrophobicContact CG2-CD1 3.32Å; I367-I388 HydrophobicContact CG2-CG1 3.98Å; I367-I388 HydrophobicContact CG2-CG2 4.38Å; I367-F392 HydrophobicContact CD1-CE2 4.07Å; I367-F392 HydrophobicContact CD1-CZ 3.9Å |
| 368 | S | 89 | Confident | 88.4 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 179.4 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | Q364 R365 R366 K372 | Q364-S368 WeakPolarHBondContact O-CB 3.28Å; Q364-S368 PolarHBondContact O-N 3.46Å; Q364-S368 PolarHBondContact O-OG 3.07Å; R365-S368 PolarHBondContact O-N 3.33Å; R366-S368 PolarHBondContact O-N 2.83Å; S368-K372 WeakPolarHBondContact O-CB 3.26Å; S368-K372 WeakPolarHBondContact O-CG 3.48Å; S368-K372 PolarHBondContact O-N 3.39Å; S368-K372 VanDerWaalsContact O-N 3.14Å |
| 369 | A | 89.5 | Confident | 87.9 | Confident | 42 Ų | 42 | 72.1 Ų | 72.1 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R365 R366 I367 K372 Q373 | R365-A369 WeakPolarHBondContact O-CB 3.45Å; R365-A369 PolarHBondContact O-N 2.91Å; R366-A369 PolarHBondContact O-N 3.21Å; I367-A369 VanDerWaalsContact C-N 3.32Å; I367-A369 PolarHBondContact O-N 2.91Å; A369-K372 PolarHBondContact O-N 3.26Å; A369-Q373 WeakPolarHBondContact O-CG 3.29Å; A369-Q373 PolarHBondContact O-N 2.88Å |
| 370 | D | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.5 | -175.6 | 44.3 | 0 | 0 | 0 | 112.2 | P265 G266 N267 I268 R366 I367 K372 Q373 C374 | P265-D370 VanDerWaalsContact CA-OD1 3.27Å; P265-D370 WeakPolarHBondContact CA-OD1 3.41Å; G266-D370 VanDerWaalsContact C-OD2 3.29Å; G266-D370 WeakPolarHBondContact CA-OD2 3.34Å; G266-D370 PolarHBondContact N-OD1 3.37Å; G266-D370 PolarHBondContact N-OD2 3.41Å; N267-D370 PolarHBondContact N-OD2 3.13Å; I268-D370 HydrophobicContact CB-CB 4.18Å; I268-D370 WeakPolarHBondContact CB-OD2 3.44Å; I268-D370 HydrophobicContact CD1-CB 3.58Å; I268-D370 VanDerWaalsContact CD1-CG 3.43Å; I268-D370 HydrophobicContact CG1-CB 4.16Å; I268-D370 PolarHBondContact N-OD2 3.02Å; R366-D370 PolarHBondContact O-N 3.29Å; R366-D370 VanDerWaalsContact O-N 3.12Å; I367-D370 PolarHBondContact O-N 3.37Å; D370-K372 PolarHBondContact O-N 2.83Å; D370-Q373 WeakPolarHBondContact O-CB 3.48Å; D370-Q373 PolarHBondContact O-N 3.46Å; D370-C374 PolarHBondContact O-SG 2.84Å |
| 371 | I | 87 | Confident | 86.7 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.8 | -33.8 | -178.6 | -66.6 | 173.3 | 0 | 0 | 0 | 111.9 | I367 Q373 C374 L376 F381 K384 I388 | I367-I371 HydrophobicContact CG2-CD1 3.8Å; I367-I371 WeakPolarHBondContact O-CG1 3.41Å; I367-I371 PolarHBondContact O-N 2.67Å; I371-Q373 PolarHBondContact O-N 3.24Å; I371-C374 VanDerWaalsContact O-CB 3.28Å; I371-C374 WeakPolarHBondContact O-CB 3.37Å; I371-C374 PolarHBondContact O-N 2.94Å; I371-L376 HydrophobicContact CG2-CD1 4.1Å; I371-F381 HydrophobicContact CB-CE2 4.45Å; I371-F381 HydrophobicContact CG2-CD2 3.58Å; I371-F381 HydrophobicContact CG2-CE2 3.59Å; I371-K384 HydrophobicContact CD1-CB 4.34Å; I371-K384 HydrophobicContact CD1-CD 4.43Å; I371-I388 HydrophobicContact CD1-CD1 3.07Å; I371-I388 HydrophobicContact CD1-CG1 4.44Å |
| 372 | K | 86.6 | Confident | 86.3 | Confident | 156 Ų | 156 | 77.5 Ų | 77.5 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.9 | -24.4 | 174.3 | -76.7 | 175 | -177.4 | -174.7 | 0 | 113 | S368 A369 D370 C374 F381 | S368-K372 WeakPolarHBondContact O-CB 3.26Å; S368-K372 WeakPolarHBondContact O-CG 3.48Å; S368-K372 PolarHBondContact O-N 3.39Å; S368-K372 VanDerWaalsContact O-N 3.14Å; A369-K372 PolarHBondContact O-N 3.26Å; D370-K372 PolarHBondContact O-N 2.83Å; K372-C374 VanDerWaalsContact C-N 3.29Å; K372-F381 HydrophobicContact CG-CE2 4.09Å; K372-F381 HydrophobicContact CG-CZ 4.38Å |
| 373 | Q | 86.5 | Confident | 85.9 | Confident | 116 Ų | 116 | 81.2 Ų | 81.2 | 54% | 0.542 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -14.3 | 173.6 | -68.8 | 178.1 | 7.2 | 0 | 0 | 112.6 | P265 A369 D370 I371 | P265-Q373 HydrophobicContact CB-CB 3.74Å; P265-Q373 HydrophobicContact CG-CB 4.4Å; A369-Q373 WeakPolarHBondContact O-CG 3.29Å; A369-Q373 PolarHBondContact O-N 2.88Å; D370-Q373 WeakPolarHBondContact O-CB 3.48Å; D370-Q373 PolarHBondContact O-N 3.46Å; I371-Q373 PolarHBondContact O-N 3.24Å |
| 374 | C | 82.3 | Confident | 85.4 | Confident | 22 Ų | 22 | 84.4 Ų | 84.4 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -76.5 | 129.5 | 172.6 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | G266 D370 I371 K372 L376 | G266-C374 WeakPolarHBondContact CA-SG 3.16Å; G266-C374 PolarHBondContact N-SG 3.32Å; D370-C374 PolarHBondContact O-SG 2.84Å; I371-C374 VanDerWaalsContact O-CB 3.28Å; I371-C374 WeakPolarHBondContact O-CB 3.37Å; I371-C374 PolarHBondContact O-N 2.94Å; K372-C374 VanDerWaalsContact C-N 3.29Å; C374-L376 HydrophobicContact CB-CD1 3.61Å; C374-L376 HydrophobicContact CB-CG 3.6Å; C374-L376 PolarHBondContact O-N 3.48Å |
| 375 | N | 77 | Confident | 85 | Confident | 175 Ų | 175 | 83 Ų | 83 | 94% | 0.936 | 41% | 0.408 | S | S | * | . | trans | -73.2 | 55.7 | 170.9 | -67.8 | -28.7 | 0 | 0 | 0 | 111.3 | ||||
| 376 | L | 77.8 | Confident | 84.7 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | trans | -81.2 | 151.5 | 179.3 | -68.4 | 165.2 | 0 | 0 | 0 | 110.5 | I371 C374 D380 K384 | I371-L376 HydrophobicContact CG2-CD1 4.1Å; C374-L376 HydrophobicContact CB-CD1 3.61Å; C374-L376 HydrophobicContact CB-CG 3.6Å; C374-L376 PolarHBondContact O-N 3.48Å; L376-D380 HydrophobicContact CB-CB 4.31Å; L376-D380 HydrophobicContact CD2-CB 4.12Å; L376-K384 HydrophobicContact CD1-CD 3.99Å | ||
| 377 | T | 81.3 | Confident | 84.6 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | trans | -65.6 | 155.8 | 166.8 | 65.6 | 0 | 0 | 0 | 0 | 110.2 | D379 D380 F381 | T377-D379 PolarHBondContact O-N 2.8Å; T377-D380 PolarHBondContact O-N 3.43Å; T377-D380 VanDerWaalsContact OG1-CG 3.24Å; T377-D380 PolarHBondContact OG1-N 3.2Å; T377-D380 PolarHBondContact OG1-OD2 3.36Å; T377-F381 PolarHBondContact O-N 2.8Å | ||
| 378 | E | 81.3 | Confident | 84.4 | Confident | 154 Ų | 154 | 81.6 Ų | 81.6 | 72% | 0.72 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -54.8 | -36.1 | 179 | -91.3 | -169.1 | 165.8 | 0 | 0 | 112.8 | K382 | E378-K382 WeakPolarHBondContact O-CG 3.28Å; E378-K382 PolarHBondContact O-N 3.02Å |
| 379 | D | 83 | Confident | 84.2 | Confident | 110 Ų | 110 | 81.6 Ų | 81.6 | 59% | 0.588 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -70.7 | -42.2 | 179.9 | -74.3 | -22.6 | 0 | 0 | 0 | 112.2 | T377 F381 K382 K383 | T377-D379 PolarHBondContact O-N 2.8Å; D379-F381 VanDerWaalsContact C-N 3.34Å; D379-K382 PolarHBondContact O-N 2.96Å; D379-K383 WeakPolarHBondContact O-CG 3.44Å; D379-K383 PolarHBondContact O-N 2.94Å |
| 380 | D | 82.1 | Confident | 84.1 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 37% | 0.369 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 177.6 | -65 | -35.7 | 0 | 0 | 0 | 111.5 | L376 T377 K383 K384 | L376-D380 HydrophobicContact CB-CB 4.31Å; L376-D380 HydrophobicContact CD2-CB 4.12Å; T377-D380 PolarHBondContact O-N 3.43Å; T377-D380 VanDerWaalsContact OG1-CG 3.24Å; T377-D380 PolarHBondContact OG1-N 3.2Å; T377-D380 PolarHBondContact OG1-OD2 3.36Å; D380-K383 PolarHBondContact O-N 3.36Å; D380-K384 PolarHBondContact O-N 3.03Å |
| 381 | F | 81 | Confident | 84.1 | Confident | 74 Ų | 74 | 88.1 Ų | 88.1 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 172.1 | -177.8 | -90.4 | 0 | 0 | 0 | 111.3 | I371 K372 T377 D379 K383 K384 S385 | I371-F381 HydrophobicContact CB-CE2 4.45Å; I371-F381 HydrophobicContact CG2-CD2 3.58Å; I371-F381 HydrophobicContact CG2-CE2 3.59Å; K372-F381 HydrophobicContact CG-CE2 4.09Å; K372-F381 HydrophobicContact CG-CZ 4.38Å; T377-F381 PolarHBondContact O-N 2.8Å; D379-F381 VanDerWaalsContact C-N 3.34Å; F381-K383 PolarHBondContact O-N 3.43Å; F381-K384 PolarHBondContact O-N 3.43Å; F381-S385 WeakPolarHBondContact O-CB 3.3Å; F381-S385 PolarHBondContact O-N 3.37Å |
| 382 | K | 84.2 | Confident | 84 | Confident | 114 Ų | 114 | 88.4 Ų | 88.4 | 50% | 0.496 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 177 | -77.1 | 174.9 | -174.5 | 165.2 | 0 | 112.1 | E378 D379 S385 N386 | E378-K382 WeakPolarHBondContact O-CG 3.28Å; E378-K382 PolarHBondContact O-N 3.02Å; D379-K382 PolarHBondContact O-N 2.96Å; K382-S385 PolarHBondContact O-N 2.65Å; K382-N386 WeakPolarHBondContact O-CB 3.44Å; K382-N386 PolarHBondContact O-N 3.34Å; K382-N386 PolarHBondContact O-ND2 3.32Å |
| 383 | K | 87 | Confident | 83.9 | Confident | 140 Ų | 140 | 87.3 Ų | 87.3 | 61% | 0.609 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.1 | -51.1 | 176.5 | -75.1 | 174.7 | -173.7 | 166.3 | 0 | 111.9 | D379 D380 F381 S385 N386 E387 | D379-K383 WeakPolarHBondContact O-CG 3.44Å; D379-K383 PolarHBondContact O-N 2.94Å; D380-K383 PolarHBondContact O-N 3.36Å; F381-K383 PolarHBondContact O-N 3.43Å; K383-S385 VanDerWaalsContact C-N 3.33Å; K383-S385 PolarHBondContact O-N 2.85Å; K383-N386 PolarHBondContact O-N 3.24Å; K383-E387 PolarHBondContact O-N 3.01Å |
| 384 | K | 82.6 | Confident | 83.9 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 30% | 0.296 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.5 | -99.8 | -178.8 | 174.6 | -174.8 | 0 | 111.7 | I371 L376 D380 F381 N386 E387 I388 | I371-K384 HydrophobicContact CD1-CB 4.34Å; I371-K384 HydrophobicContact CD1-CD 4.43Å; L376-K384 HydrophobicContact CD1-CD 3.99Å; D380-K384 PolarHBondContact O-N 3.03Å; F381-K384 PolarHBondContact O-N 3.43Å; K384-N386 VanDerWaalsContact C-N 3.32Å; K384-N386 PolarHBondContact O-N 3.34Å; K384-E387 WeakPolarHBondContact O-CB 3.13Å; K384-E387 PolarHBondContact O-N 2.92Å; K384-I388 WeakPolarHBondContact O-CD1 3.32Å; K384-I388 VanDerWaalsContact O-CG1 3.3Å; K384-I388 WeakPolarHBondContact O-CG1 3.33Å; K384-I388 PolarHBondContact O-N 3.48Å |
| 385 | S | 83.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 34% | 0.336 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 176.9 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | F381 K382 K383 I388 S389 | F381-S385 WeakPolarHBondContact O-CB 3.3Å; F381-S385 PolarHBondContact O-N 3.37Å; K382-S385 PolarHBondContact O-N 2.65Å; K383-S385 VanDerWaalsContact C-N 3.33Å; K383-S385 PolarHBondContact O-N 2.85Å; S385-I388 PolarHBondContact O-N 2.9Å; S385-S389 PolarHBondContact O-N 3.09Å; S385-S389 PolarHBondContact O-OG 2.92Å |
| 386 | N | 86.5 | Confident | 84.5 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 176.5 | -73.4 | -17.5 | 0 | 0 | 0 | 112.3 | K382 K383 K384 I388 S389 K390 | K382-N386 WeakPolarHBondContact O-CB 3.44Å; K382-N386 PolarHBondContact O-N 3.34Å; K382-N386 PolarHBondContact O-ND2 3.32Å; K383-N386 PolarHBondContact O-N 3.24Å; K384-N386 VanDerWaalsContact C-N 3.32Å; K384-N386 PolarHBondContact O-N 3.34Å; N386-I388 VanDerWaalsContact C-N 3.31Å; N386-S389 PolarHBondContact O-N 2.89Å; N386-K390 WeakPolarHBondContact O-CB 3.45Å; N386-K390 VanDerWaalsContact O-CG 3.31Å; N386-K390 WeakPolarHBondContact O-CG 3.41Å; N386-K390 PolarHBondContact O-N 2.85Å |
| 387 | E | 88.1 | Confident | 84.8 | Confident | 111 Ų | 111 | 79.6 Ų | 79.6 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 173.4 | -173.7 | -179.2 | 177.7 | 0 | 0 | 111.1 | F269 K383 K384 K390 F391 | F269-E387 HydrophobicContact CE1-CG 4.18Å; F269-E387 HydrophobicContact CZ-CG 4.37Å; K383-E387 PolarHBondContact O-N 3.01Å; K384-E387 WeakPolarHBondContact O-CB 3.13Å; K384-E387 PolarHBondContact O-N 2.92Å; E387-K390 PolarHBondContact O-N 2.86Å; E387-F391 WeakPolarHBondContact O-CB 3.25Å; E387-F391 PolarHBondContact O-N 3.48Å |
| 388 | I | 85.2 | Confident | 84.9 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 8% | 0.077 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.9 | -68.2 | 159.5 | 0 | 0 | 0 | 111.8 | F269 I367 I371 K384 S385 N386 K390 F391 F392 | F269-I388 HydrophobicContact CD2-CD1 4.35Å; F269-I388 HydrophobicContact CD2-CG1 3.66Å; F269-I388 HydrophobicContact CE2-CB 4.25Å; F269-I388 HydrophobicContact CE2-CG1 3.48Å; F269-I388 VanDerWaalsContact CE2-CG1 3.48Å; F269-I388 HydrophobicContact CG-CG1 4.28Å; F269-I388 HydrophobicContact CZ-CG1 3.96Å; I367-I388 HydrophobicContact CG2-CD1 3.32Å; I367-I388 HydrophobicContact CG2-CG1 3.98Å; I367-I388 HydrophobicContact CG2-CG2 4.38Å; I371-I388 HydrophobicContact CD1-CD1 3.07Å; I371-I388 HydrophobicContact CD1-CG1 4.44Å; K384-I388 WeakPolarHBondContact O-CD1 3.32Å; K384-I388 VanDerWaalsContact O-CG1 3.3Å; K384-I388 WeakPolarHBondContact O-CG1 3.33Å; K384-I388 PolarHBondContact O-N 3.48Å; S385-I388 PolarHBondContact O-N 2.9Å; N386-I388 VanDerWaalsContact C-N 3.31Å; I388-K390 VanDerWaalsContact C-N 3.34Å; I388-K390 PolarHBondContact O-N 3.49Å; I388-F391 WeakPolarHBondContact O-CB 3.16Å; I388-F391 PolarHBondContact O-N 3.38Å; I388-F392 HydrophobicContact CG2-CD2 3.7Å; I388-F392 HydrophobicContact CG2-CE2 3.51Å; I388-F392 WeakPolarHBondContact O-CD2 3.43Å; I388-F392 PolarHBondContact O-N 2.89Å |
| 389 | S | 85.1 | Confident | 85.1 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 177.2 | -62.9 | 0 | 0 | 0 | 0 | 111 | S385 N386 F391 F392 E393 | S385-S389 PolarHBondContact O-N 3.09Å; S385-S389 PolarHBondContact O-OG 2.92Å; N386-S389 PolarHBondContact O-N 2.89Å; S389-F391 VanDerWaalsContact C-N 3.29Å; S389-F391 PolarHBondContact O-N 2.94Å; S389-F392 PolarHBondContact O-N 2.77Å; S389-F392 VanDerWaalsContact O-N 3.15Å; S389-E393 WeakPolarHBondContact O-CG 3.11Å; S389-E393 PolarHBondContact O-N 3.29Å |
| 390 | K | 88.5 | Confident | 85.1 | Confident | 132 Ų | 132 | 67 Ų | 67 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.9 | -35.9 | 175.8 | -73.8 | 178.7 | -179.8 | -175.1 | 0 | 112.8 | N386 E387 I388 E393 N394 | N386-K390 WeakPolarHBondContact O-CB 3.45Å; N386-K390 VanDerWaalsContact O-CG 3.31Å; N386-K390 WeakPolarHBondContact O-CG 3.41Å; N386-K390 PolarHBondContact O-N 2.85Å; E387-K390 PolarHBondContact O-N 2.86Å; I388-K390 VanDerWaalsContact C-N 3.34Å; I388-K390 PolarHBondContact O-N 3.49Å; K390-E393 PolarHBondContact O-N 3.03Å; K390-N394 PolarHBondContact O-N 3.09Å; K390-N394 PolarHBondContact O-ND2 2.87Å |
| 391 | F | 89 | Confident | 85.1 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.8 | 176.3 | -96.9 | 0 | 0 | 0 | 111.1 | F269 S273 H276 E387 I388 S389 N394 S395 | F269-F391 HydrophobicContact CE2-CB 4.37Å; F269-F391 HydrophobicContact CE2-CD1 4.4Å; F269-F391 HydrophobicContact CE2-CG 4.35Å; F269-F391 HydrophobicContact CZ-CB 4.16Å; F269-F391 HydrophobicContact CZ-CG 4.34Å; S273-F391 VanDerWaalsContact CA-CZ 3.49Å; H276-F391 HydrophobicContact CB-CE1 4.01Å; H276-F391 HydrophobicContact CB-CZ 3.94Å; H276-F391 AromaticContact CD2-CE1 3.68Å; H276-F391 AromaticContact CD2-CZ 3.7Å; H276-F391 AromaticContact CG-CE1 3.91Å; E387-F391 WeakPolarHBondContact O-CB 3.25Å; E387-F391 PolarHBondContact O-N 3.48Å; I388-F391 WeakPolarHBondContact O-CB 3.16Å; I388-F391 PolarHBondContact O-N 3.38Å; S389-F391 VanDerWaalsContact C-N 3.29Å; S389-F391 PolarHBondContact O-N 2.94Å; F391-N394 PolarHBondContact O-N 3.4Å; F391-S395 PolarHBondContact O-N 2.93Å |
| 392 | F | 85.2 | Confident | 85.2 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.3 | -32 | 177.4 | -73.7 | -60.7 | 0 | 0 | 0 | 113.8 | L360 I363 Q364 I367 I388 S389 N394 S395 V398 | L360-F392 HydrophobicContact CD2-CD1 4.19Å; L360-F392 HydrophobicContact CD2-CE1 4.32Å; I363-F392 HydrophobicContact CD1-CE1 3.38Å; I363-F392 HydrophobicContact CD1-CZ 3.75Å; I363-F392 HydrophobicContact CG1-CE1 3.86Å; I363-F392 HydrophobicContact CG1-CZ 3.78Å; Q364-F392 HydrophobicContact CG-CD2 3.83Å; Q364-F392 HydrophobicContact CG-CE1 4.36Å; Q364-F392 HydrophobicContact CG-CE2 3.46Å; Q364-F392 VanDerWaalsContact CG-CE2 3.46Å; Q364-F392 HydrophobicContact CG-CG 4.4Å; Q364-F392 HydrophobicContact CG-CZ 3.78Å; I367-F392 HydrophobicContact CD1-CE2 4.07Å; I367-F392 HydrophobicContact CD1-CZ 3.9Å; I388-F392 HydrophobicContact CG2-CD2 3.7Å; I388-F392 HydrophobicContact CG2-CE2 3.51Å; I388-F392 WeakPolarHBondContact O-CD2 3.43Å; I388-F392 PolarHBondContact O-N 2.89Å; S389-F392 PolarHBondContact O-N 2.77Å; S389-F392 VanDerWaalsContact O-N 3.15Å; F392-N394 VanDerWaalsContact C-N 3.27Å; F392-N394 PolarHBondContact O-N 3.18Å; F392-S395 WeakPolarHBondContact O-CB 3.48Å; F392-S395 PolarHBondContact O-N 3.39Å; F392-V398 WeakPolarHBondContact O-CG2 3.34Å |
| 393 | E | 84.2 | Confident | 85.1 | Confident | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.621 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.6 | -34.2 | 174 | -75.2 | 168.8 | -173 | 0 | 0 | 112.2 | S389 K390 S395 | S389-E393 WeakPolarHBondContact O-CG 3.11Å; S389-E393 PolarHBondContact O-N 3.29Å; K390-E393 PolarHBondContact O-N 3.03Å; E393-S395 VanDerWaalsContact C-N 3.33Å |
| 394 | N | 86.2 | Confident | 84.7 | Confident | 138 Ų | 138 | 58.5 Ų | 58.5 | 74% | 0.738 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.1 | 177.6 | -64.8 | -47.1 | 0 | 0 | 0 | 113.6 | K390 F391 F392 | K390-N394 PolarHBondContact O-N 3.09Å; K390-N394 PolarHBondContact O-ND2 2.87Å; F391-N394 PolarHBondContact O-N 3.4Å; F392-N394 VanDerWaalsContact C-N 3.27Å; F392-N394 PolarHBondContact O-N 3.18Å |
| 395 | S | 87.5 | Confident | 84.5 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | trans | -70.3 | 128.7 | -178.6 | 166.5 | 0 | 0 | 0 | 0 | 111.2 | H276 D280 F391 F392 E393 L397 V398 C399 | H276-S395 PolarHBondContact NE2-OG 3.45Å; D280-S395 PolarHBondContact OD1-OG 2.91Å; F391-S395 PolarHBondContact O-N 2.93Å; F392-S395 WeakPolarHBondContact O-CB 3.48Å; F392-S395 PolarHBondContact O-N 3.39Å; E393-S395 VanDerWaalsContact C-N 3.33Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 PolarHBondContact O-N 2.93Å; S395-L397 PolarHBondContact OG-N 2.84Å; S395-V398 PolarHBondContact O-N 2.95Å; S395-V398 PolarHBondContact OG-N 3.42Å; S395-C399 PolarHBondContact O-N 3.06Å; S395-C399 VanDerWaalsContact O-N 3.16Å; S395-C399 PolarHBondContact O-SG 2.98Å | ||
| 396 | Q | 85.4 | Confident | 84.4 | Confident | 72 Ų | 72 | 59 Ų | 59 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -34.8 | 179.3 | -172.6 | 66 | 36.8 | 0 | 0 | 111.3 | D280 K284 V398 C399 Q400 | D280-Q396 HydrophobicContact CB-CB 3.99Å; D280-Q396 PolarHBondContact OD2-N 3.01Å; K284-Q396 HydrophobicContact CD-CG 4.03Å; Q396-V398 VanDerWaalsContact C-N 3.3Å; Q396-V398 PolarHBondContact O-N 2.87Å; Q396-C399 PolarHBondContact O-N 2.85Å; Q396-Q400 HydrophobicContact CG-CG 4.42Å; Q396-Q400 WeakPolarHBondContact O-CB 3.48Å; Q396-Q400 VanDerWaalsContact O-CG 3.31Å; Q396-Q400 WeakPolarHBondContact O-CG 3.29Å; Q396-Q400 PolarHBondContact O-N 3.46Å |
| 397 | L | 84.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 175 | -178.5 | 65.5 | 0 | 0 | 0 | 111.2 | V279 D280 V283 Y359 L360 S395 Q400 V401 | V279-L397 HydrophobicContact CG1-CD2 4.3Å; D280-L397 WeakPolarHBondContact OD1-CB 3.4Å; D280-L397 PolarHBondContact OD1-N 3.48Å; V283-L397 HydrophobicContact CB-CD1 4.01Å; V283-L397 HydrophobicContact CG1-CD1 3.49Å; V283-L397 VanDerWaalsContact CG1-CD1 3.49Å; V283-L397 HydrophobicContact CG2-CD1 4.23Å; Y359-L397 HydrophobicContact CD1-CD2 3.77Å; Y359-L397 HydrophobicContact CE1-CD2 4.08Å; L360-L397 HydrophobicContact CD1-CD2 4.46Å; L360-L397 HydrophobicContact CD2-CD2 4.04Å; L360-L397 HydrophobicContact CG-CD2 4.07Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 PolarHBondContact O-N 2.93Å; S395-L397 PolarHBondContact OG-N 2.84Å; L397-Q400 PolarHBondContact O-N 3.31Å; L397-V401 HydrophobicContact CD1-CG2 4.48Å; L397-V401 VanDerWaalsContact O-CG2 3.27Å; L397-V401 WeakPolarHBondContact O-CG2 3.17Å; L397-V401 PolarHBondContact O-N 3.29Å |
| 398 | V | 83.5 | Confident | 82.9 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | L360 F392 S395 Q396 Q400 V401 Q402 | L360-V398 HydrophobicContact CD1-CG2 3.74Å; L360-V398 HydrophobicContact CD2-CG2 3.86Å; L360-V398 HydrophobicContact CG-CG2 4.48Å; F392-V398 WeakPolarHBondContact O-CG2 3.34Å; S395-V398 PolarHBondContact O-N 2.95Å; S395-V398 PolarHBondContact OG-N 3.42Å; Q396-V398 VanDerWaalsContact C-N 3.3Å; Q396-V398 PolarHBondContact O-N 2.87Å; V398-Q400 VanDerWaalsContact C-N 3.34Å; V398-Q400 PolarHBondContact O-N 3.05Å; V398-V401 PolarHBondContact O-N 3.36Å; V398-Q402 WeakPolarHBondContact O-CG 3.48Å; V398-Q402 PolarHBondContact O-N 2.88Å |
| 399 | C | 85.2 | Confident | 82.2 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | S395 Q396 V401 Q402 D403 | S395-C399 PolarHBondContact O-N 3.06Å; S395-C399 VanDerWaalsContact O-N 3.16Å; S395-C399 PolarHBondContact O-SG 2.98Å; Q396-C399 PolarHBondContact O-N 2.85Å; C399-V401 PolarHBondContact O-N 2.86Å; C399-Q402 PolarHBondContact O-N 3.48Å; C399-D403 WeakPolarHBondContact O-CB 3.43Å; C399-D403 VanDerWaalsContact O-CG 3.32Å; C399-D403 PolarHBondContact O-N 3.28Å |
| 400 | Q | 82.5 | Confident | 81 | Confident | 15 Ų | 15 | 69 Ų | 69 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 179.7 | -75 | -173.4 | -29.1 | 0 | 0 | 113 | K284 Q396 L397 V398 Q402 D403 L404 | K284-Q400 VanDerWaalsContact CA-NE2 3.31Å; Q396-Q400 HydrophobicContact CG-CG 4.42Å; Q396-Q400 WeakPolarHBondContact O-CB 3.48Å; Q396-Q400 VanDerWaalsContact O-CG 3.31Å; Q396-Q400 WeakPolarHBondContact O-CG 3.29Å; Q396-Q400 PolarHBondContact O-N 3.46Å; L397-Q400 PolarHBondContact O-N 3.31Å; V398-Q400 VanDerWaalsContact C-N 3.34Å; V398-Q400 PolarHBondContact O-N 3.05Å; Q400-Q402 VanDerWaalsContact C-N 3.35Å; Q400-D403 PolarHBondContact O-N 3.5Å; Q400-L404 WeakPolarHBondContact O-CB 3.14Å; Q400-L404 WeakPolarHBondContact O-CD1 3.11Å; Q400-L404 VanDerWaalsContact O-CG 3.31Å; Q400-L404 WeakPolarHBondContact O-CG 3.32Å; Q400-L404 PolarHBondContact O-N 3.16Å |
| 401 | V | 81.8 | Confident | 80.7 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | I353 E357 L397 V398 C399 L404 L405 | I353-V401 HydrophobicContact CB-CG1 4.5Å; I353-V401 HydrophobicContact CG1-CG1 4.39Å; I353-V401 HydrophobicContact CG2-CG1 4.03Å; E357-V401 HydrophobicContact CG-CG1 4.42Å; L397-V401 HydrophobicContact CD1-CG2 4.48Å; L397-V401 VanDerWaalsContact O-CG2 3.27Å; L397-V401 WeakPolarHBondContact O-CG2 3.17Å; L397-V401 PolarHBondContact O-N 3.29Å; V398-V401 PolarHBondContact O-N 3.36Å; C399-V401 PolarHBondContact O-N 2.86Å; V401-L404 PolarHBondContact O-N 3.49Å; V401-L405 VanDerWaalsContact O-CB 3.27Å; V401-L405 WeakPolarHBondContact O-CB 3.43Å; V401-L405 PolarHBondContact O-N 3.48Å |
| 402 | Q | 83.7 | Confident | 80.2 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177 | -74 | 179.3 | -11.9 | 0 | 0 | 112.5 | V398 C399 Q400 L405 S406 | V398-Q402 WeakPolarHBondContact O-CG 3.48Å; V398-Q402 PolarHBondContact O-N 2.88Å; C399-Q402 PolarHBondContact O-N 3.48Å; Q400-Q402 VanDerWaalsContact C-N 3.35Å; Q402-L405 PolarHBondContact O-N 2.98Å; Q402-S406 VanDerWaalsContact O-CB 3.28Å; Q402-S406 WeakPolarHBondContact O-CB 3.42Å; Q402-S406 PolarHBondContact O-N 2.97Å; Q402-S406 PolarHBondContact O-OG 3.36Å |
| 403 | D | 83.2 | Confident | 80 | Confident | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 176.7 | -75 | -20.5 | 0 | 0 | 0 | 111.3 | C399 Q400 S406 K407 | C399-D403 WeakPolarHBondContact O-CB 3.43Å; C399-D403 VanDerWaalsContact O-CG 3.32Å; C399-D403 PolarHBondContact O-N 3.28Å; Q400-D403 PolarHBondContact O-N 3.5Å; D403-S406 PolarHBondContact O-N 3.32Å; D403-K407 WeakPolarHBondContact O-CG 3.4Å; D403-K407 PolarHBondContact O-N 3.09Å |
| 404 | L | 79 | Confident | 79.7 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.7 | -77.1 | 163.2 | 0 | 0 | 0 | 111.4 | V287 F290 Y291 T349 I352 I353 Q400 V401 S406 K407 Y408 | V287-L404 HydrophobicContact CG1-CD1 4.49Å; F290-L404 HydrophobicContact CE1-CD2 4.48Å; Y291-L404 HydrophobicContact CE1-CD2 4.29Å; Y291-L404 WeakPolarHBondContact OH-CD2 3.48Å; Y291-L404 WeakPolarHBondContact OH-CG 3.41Å; T349-L404 HydrophobicContact CG2-CB 4.11Å; T349-L404 HydrophobicContact CG2-CD2 3.88Å; I352-L404 HydrophobicContact CG2-CD1 3.75Å; I353-L404 HydrophobicContact CD1-CB 4.04Å; I353-L404 HydrophobicContact CG1-CB 4.02Å; Q400-L404 WeakPolarHBondContact O-CB 3.14Å; Q400-L404 WeakPolarHBondContact O-CD1 3.11Å; Q400-L404 VanDerWaalsContact O-CG 3.31Å; Q400-L404 WeakPolarHBondContact O-CG 3.32Å; Q400-L404 PolarHBondContact O-N 3.16Å; V401-L404 PolarHBondContact O-N 3.49Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 2.84Å; L404-K407 PolarHBondContact O-N 3.3Å; L404-Y408 WeakPolarHBondContact O-CB 3.29Å; L404-Y408 PolarHBondContact O-N 2.85Å |
| 405 | L | 78.3 | Confident | 79.3 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.6 | -167.7 | 77.9 | 0 | 0 | 0 | 111.4 | I353 V401 Q402 K407 Y408 L409 | I353-L405 HydrophobicContact CD1-CB 4.17Å; I353-L405 HydrophobicContact CD1-CD1 4.03Å; I353-L405 HydrophobicContact CG2-CD1 4.38Å; V401-L405 VanDerWaalsContact O-CB 3.27Å; V401-L405 WeakPolarHBondContact O-CB 3.43Å; V401-L405 PolarHBondContact O-N 3.48Å; Q402-L405 PolarHBondContact O-N 2.98Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.03Å; L405-Y408 PolarHBondContact O-N 3.06Å; L405-L409 HydrophobicContact CD2-CD1 4.47Å; L405-L409 HydrophobicContact CG-CD1 4.09Å; L405-L409 WeakPolarHBondContact O-CG 3.31Å; L405-L409 PolarHBondContact O-N 3.46Å |
| 406 | S | 80.5 | Confident | 78.7 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 177.7 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | Q402 D403 L404 N410 | Q402-S406 VanDerWaalsContact O-CB 3.28Å; Q402-S406 WeakPolarHBondContact O-CB 3.42Å; Q402-S406 PolarHBondContact O-N 2.97Å; Q402-S406 PolarHBondContact O-OG 3.36Å; D403-S406 PolarHBondContact O-N 3.32Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 2.84Å; S406-N410 PolarHBondContact O-N 3.04Å; S406-N410 PolarHBondContact O-ND2 3.44Å |
| 407 | K | 73.3 | Confident | 78.3 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.4 | -26 | 173.1 | -72.1 | -175.3 | -176 | -170.6 | 0 | 112.6 | Y291 D297 D403 L404 L405 | Y291-K407 HydrophobicContact CE1-CD 4.04Å; D297-K407 IonicContact OD1-NZ 3.13Å; D297-K407 PolarHBondContact OD1-NZ 2.78Å; D403-K407 WeakPolarHBondContact O-CG 3.4Å; D403-K407 PolarHBondContact O-N 3.09Å; L404-K407 PolarHBondContact O-N 3.3Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.03Å |
| 408 | Y | 69.7 | Low | 77.8 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76 | -36.4 | 176.2 | 175.5 | -111.6 | 0 | 0 | 0 | 112.4 | I346 L404 L405 | I346-Y408 HydrophobicContact CB-CE2 4.36Å; I346-Y408 HydrophobicContact CG1-CD2 4.38Å; I346-Y408 HydrophobicContact CG1-CE2 4.28Å; I346-Y408 HydrophobicContact CG2-CD2 4.16Å; I346-Y408 HydrophobicContact CG2-CE2 3.43Å; I346-Y408 VanDerWaalsContact CG2-CE2 3.43Å; L404-Y408 WeakPolarHBondContact O-CB 3.29Å; L404-Y408 PolarHBondContact O-N 2.85Å; L405-Y408 PolarHBondContact O-N 3.06Å |
| 409 | L | 70.9 | Confident | 77.3 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 67% | 0.665 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -81.7 | -21.8 | -177.9 | -71.8 | 168.4 | 0 | 0 | 0 | 114.6 | L405 | L405-L409 HydrophobicContact CD2-CD1 4.47Å; L405-L409 HydrophobicContact CG-CD1 4.09Å; L405-L409 WeakPolarHBondContact O-CG 3.31Å; L405-L409 PolarHBondContact O-N 3.46Å |
| 410 | N | 60.2 | Low | 76.6 | Confident | 178 Ų | 178 | 77.1 Ų | 77.1 | 95% | 0.952 | 39% | 0.391 | S | S | * | . | trans | -109.6 | 0 | -177.6 | -67.5 | -57.3 | 0 | 0 | 0 | 111.8 | S406 | S406-N410 PolarHBondContact O-N 3.04Å; S406-N410 PolarHBondContact O-ND2 3.44Å |
Retrieved 410 of 410 residues in 598.4 ms
(Link to these results)