| 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 | 37.2 | Very low | 42.2 | Very low | 248 Ų | 248 | 139.4 Ų | 139.4 | 100% | 1.222 | 81% | 0.805 | S | S | * | * | 0 | 125.2 | 0 | -77.7 | 171.6 | 176.5 | 0 | 0 | 107.4 | |||||
| 2 | A | 40.2 | Very low | 44.3 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 146.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | N | 36.2 | Very low | 46.3 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -135.4 | 102 | 142.8 | -142.8 | 8.8 | 0 | 0 | 0 | 108.4 | ||||
| 4 | S | 42 | Very low | 48.3 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -75.4 | 109.6 | 172 | 43.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | S | 43.8 | Very low | 50.2 | Low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -130.2 | 138.6 | 165.4 | 51.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 6 | E | 37.9 | Very low | 52.3 | Low | 186 Ų | 186 | 127.9 Ų | 127.9 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | trans | 91.8 | 59.7 | 175.9 | -53 | -170.5 | 138.7 | 0 | 0 | 116.9 | G8 | E6-G8 PolarHBondContact O-N 3.19Š| ||
| 7 | F | 36.8 | Very low | 54.1 | Low | 216 Ų | 216 | 130.2 Ų | 130.2 | 95% | 0.947 | 73% | 0.727 | S | S | * | * | trans | -80.8 | 96.5 | 141.9 | -130.3 | -90.6 | 0 | 0 | 0 | 106.6 | E9 | F7-E9 PolarHBondContact O-N 3.2Š| ||
| 8 | G | 40.1 | Very low | 55.6 | Low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | trans | -55.1 | 123.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E6 S10 | E6-G8 PolarHBondContact O-N 3.19Å; G8-S10 PolarHBondContact O-N 3.42Å; G8-S10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | E | 42.6 | Very low | 57.2 | Low | 189 Ų | 189 | 123.7 Ų | 123.7 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -50.4 | 115.9 | 160 | -76.3 | 178 | 133.5 | 0 | 0 | 108.2 | F7 S11 | F7-E9 PolarHBondContact O-N 3.2Å; E9-S11 PolarHBondContact O-N 2.86Å; E9-S11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | S | 50.6 | Low | 58.7 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -64.5 | 113.4 | 167.7 | 37.7 | 0 | 0 | 0 | 0 | 107.3 | G8 | G8-S10 PolarHBondContact O-N 3.42Å; G8-S10 VanDerWaalsContact O-N 3.1Å | ||
| 11 | S | 57.1 | Low | 60.1 | Low | 66 Ų | 66 | 117.8 Ų | 117.8 | 46% | 0.462 | 67% | 0.67 | S | S | . | * | trans | -51.3 | 133 | -174.1 | -45.4 | 0 | 0 | 0 | 0 | 111 | E9 T13 L14 | E9-S11 PolarHBondContact O-N 2.86Å; E9-S11 VanDerWaalsContact O-N 3.1Å; S11-T13 WeakPolarHBondContact CB-OG1 3.09Å; S11-T13 PolarHBondContact O-N 3.19Å; S11-L14 PolarHBondContact O-N 3.35Å | ||
| 12 | P | 66.8 | Low | 62.6 | Low | 100 Ų | 100 | 108 Ų | 108 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -56.9 | -23.5 | -177.9 | 19.9 | -31.8 | 0 | 0 | 0 | 113.3 | N16 | P12-N16 VanDerWaalsContact O-CG 3.28Å; P12-N16 PolarHBondContact O-N 3.48Å; P12-N16 PolarHBondContact O-ND2 3.25Å; P12-N16 VanDerWaalsContact O-ND2 3.15Å |
| 13 | T | 71.1 | Confident | 65 | Low | 104 Ų | 104 | 106 Ų | 106 | 64% | 0.638 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.9 | -38.5 | 174.2 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | S11 Y17 | S11-T13 WeakPolarHBondContact CB-OG1 3.09Å; S11-T13 PolarHBondContact O-N 3.19Å; T13-Y17 WeakPolarHBondContact O-CB 3.4Å; T13-Y17 PolarHBondContact O-N 3.09Å |
| 14 | L | 73.6 | Confident | 67.7 | Low | 113 Ų | 113 | 102.8 Ų | 102.8 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.5 | -37 | -179.5 | -170.7 | 69.8 | 0 | 0 | 0 | 111.5 | S11 Y17 A18 | S11-L14 PolarHBondContact O-N 3.35Å; L14-Y17 PolarHBondContact O-N 3.29Å; L14-A18 PolarHBondContact O-N 2.9Å |
| 15 | H | 77.7 | Confident | 70.1 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -45.4 | 175.8 | -167.9 | 74.7 | 0 | 0 | 0 | 111.7 | Y17 A18 I19 | H15-Y17 PolarHBondContact O-N 3.39Å; H15-A18 PolarHBondContact O-N 2.88Å; H15-I19 WeakPolarHBondContact NE2-CD1 3.47Å; H15-I19 WeakPolarHBondContact O-CG1 3.04Å; H15-I19 PolarHBondContact O-N 3.5Å; H15-I19 VanDerWaalsContact O-N 3.11Å |
| 16 | N | 82.7 | Confident | 72.5 | Confident | 97 Ų | 97 | 96.5 Ų | 96.5 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.2 | -70.9 | -25.3 | 0 | 0 | 0 | 111.6 | P12 A18 I19 T20 | P12-N16 VanDerWaalsContact O-CG 3.28Å; P12-N16 PolarHBondContact O-N 3.48Å; P12-N16 PolarHBondContact O-ND2 3.25Å; P12-N16 VanDerWaalsContact O-ND2 3.15Å; N16-A18 PolarHBondContact O-N 3.38Å; N16-I19 PolarHBondContact O-N 3.1Å; N16-T20 PolarHBondContact O-N 3.2Å; N16-T20 PolarHBondContact O-OG1 3.3Å; N16-T20 VanDerWaalsContact O-OG1 3.05Å |
| 17 | Y | 83 | Confident | 75.3 | Confident | 167 Ų | 167 | 90.8 Ų | 90.8 | 66% | 0.655 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.3 | -44.5 | 175.5 | 179.8 | -96.1 | 0 | 0 | 0 | 112.4 | T13 L14 H15 I19 T20 A21 | T13-Y17 WeakPolarHBondContact O-CB 3.4Å; T13-Y17 PolarHBondContact O-N 3.09Å; L14-Y17 PolarHBondContact O-N 3.29Å; H15-Y17 PolarHBondContact O-N 3.39Å; Y17-I19 PolarHBondContact O-N 3.08Å; Y17-T20 PolarHBondContact O-N 2.85Å; Y17-A21 VanDerWaalsContact O-CB 3.29Å; Y17-A21 WeakPolarHBondContact O-CB 3.17Å; Y17-A21 PolarHBondContact O-N 3.3Å |
| 18 | A | 81.4 | Confident | 78 | Confident | 56 Ų | 56 | 82.3 Ų | 82.3 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L14 H15 N16 S22 | L14-A18 PolarHBondContact O-N 2.9Å; H15-A18 PolarHBondContact O-N 2.88Å; N16-A18 PolarHBondContact O-N 3.38Å; A18-S22 PolarHBondContact O-N 3.3Å; A18-S22 VanDerWaalsContact O-N 3.08Å; A18-S22 PolarHBondContact O-OG 3.27Å |
| 19 | I | 85.7 | Confident | 80.7 | Confident | 80 Ų | 80 | 79.3 Ų | 79.3 | 41% | 0.41 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 175.9 | -67.3 | 168.9 | 0 | 0 | 0 | 111 | H15 N16 Y17 A21 S22 A23 | H15-I19 WeakPolarHBondContact NE2-CD1 3.47Å; H15-I19 WeakPolarHBondContact O-CG1 3.04Å; H15-I19 PolarHBondContact O-N 3.5Å; H15-I19 VanDerWaalsContact O-N 3.11Å; N16-I19 PolarHBondContact O-N 3.1Å; Y17-I19 PolarHBondContact O-N 3.08Å; I19-A21 VanDerWaalsContact C-N 3.33Å; I19-A21 PolarHBondContact O-N 3.19Å; I19-S22 PolarHBondContact O-N 3.12Å; I19-S22 PolarHBondContact O-OG 3.49Å; I19-A23 WeakPolarHBondContact O-CB 3.18Å; I19-A23 PolarHBondContact O-N 2.65Å |
| 20 | T | 88.3 | Confident | 83.2 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 54% | 0.54 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.8 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | N16 Y17 A23 V24 | N16-T20 PolarHBondContact O-N 3.2Å; N16-T20 PolarHBondContact O-OG1 3.3Å; N16-T20 VanDerWaalsContact O-OG1 3.05Å; Y17-T20 PolarHBondContact O-N 2.85Å; T20-A23 PolarHBondContact O-N 2.95Å; T20-V24 HydrophobicContact CG2-CG2 4.5Å; T20-V24 VanDerWaalsContact O-CG2 3.29Å; T20-V24 WeakPolarHBondContact O-CG2 3.5Å; T20-V24 PolarHBondContact O-N 3.43Å |
| 21 | A | 87.4 | Confident | 85.4 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 30% | 0.298 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y17 I19 V24 K25 | Y17-A21 VanDerWaalsContact O-CB 3.29Å; Y17-A21 WeakPolarHBondContact O-CB 3.17Å; Y17-A21 PolarHBondContact O-N 3.3Å; I19-A21 VanDerWaalsContact C-N 3.33Å; I19-A21 PolarHBondContact O-N 3.19Å; A21-V24 PolarHBondContact O-N 3.45Å; A21-K25 WeakPolarHBondContact O-CG 3.46Å; A21-K25 PolarHBondContact O-N 2.89Å |
| 22 | S | 88.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 177 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | A18 I19 V24 K25 L26 | A18-S22 PolarHBondContact O-N 3.3Å; A18-S22 VanDerWaalsContact O-N 3.08Å; A18-S22 PolarHBondContact O-OG 3.27Å; I19-S22 PolarHBondContact O-N 3.12Å; I19-S22 PolarHBondContact O-OG 3.49Å; S22-V24 PolarHBondContact O-N 3.17Å; S22-K25 WeakPolarHBondContact O-CB 3.46Å; S22-K25 PolarHBondContact O-N 3.01Å; S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 3.36Å |
| 23 | A | 91.8 | Very high | 88.7 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I19 T20 L26 A27 | I19-A23 WeakPolarHBondContact O-CB 3.18Å; I19-A23 PolarHBondContact O-N 2.65Å; T20-A23 PolarHBondContact O-N 2.95Å; A23-L26 PolarHBondContact O-N 2.82Å; A23-A27 WeakPolarHBondContact O-CB 3.32Å; A23-A27 PolarHBondContact O-N 2.88Å |
| 24 | V | 93.1 | Very high | 89.9 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | T20 A21 S22 A27 S28 | T20-V24 HydrophobicContact CG2-CG2 4.5Å; T20-V24 VanDerWaalsContact O-CG2 3.29Å; T20-V24 WeakPolarHBondContact O-CG2 3.5Å; T20-V24 PolarHBondContact O-N 3.43Å; A21-V24 PolarHBondContact O-N 3.45Å; S22-V24 PolarHBondContact O-N 3.17Å; V24-A27 PolarHBondContact O-N 3.5Å; V24-S28 VanDerWaalsContact O-CB 3.3Å; V24-S28 WeakPolarHBondContact O-CB 3.01Å; V24-S28 PolarHBondContact O-N 3.18Å; V24-S28 PolarHBondContact O-OG 2.85Å |
| 25 | K | 92.7 | Very high | 90.9 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59 | -48.9 | 175.2 | -75.5 | -178.8 | 179.5 | -163.6 | 0 | 111.7 | A21 S22 S28 L29 I83 E172 W327 | A21-K25 WeakPolarHBondContact O-CG 3.46Å; A21-K25 PolarHBondContact O-N 2.89Å; S22-K25 WeakPolarHBondContact O-CB 3.46Å; S22-K25 PolarHBondContact O-N 3.01Å; K25-S28 PolarHBondContact O-N 2.87Å; K25-S28 PolarHBondContact O-OG 3.01Å; K25-L29 VanDerWaalsContact O-CB 3.3Å; K25-L29 WeakPolarHBondContact O-CB 2.79Å; K25-L29 PolarHBondContact O-N 2.88Å; K25-I83 HydrophobicContact CB-CD1 4.36Å; K25-I83 HydrophobicContact CB-CG2 4.09Å; K25-I83 HydrophobicContact CD-CG2 4.47Å; K25-E172 WeakPolarHBondContact CD-OE2 3.22Å; K25-E172 IonicContact NZ-OE1 3.79Å; K25-E172 PolarHBondContact NZ-OE1 2.8Å; K25-E172 IonicContact NZ-OE2 2.6Å; K25-E172 PolarHBondContact NZ-OE2 2.98Å; K25-W327 HydrophobicContact CB-CZ2 3.94Å; K25-W327 HydrophobicContact CD-CZ2 4.39Å; K25-W327 HydrophobicContact CG-CZ2 3.99Å |
| 26 | L | 94 | Very high | 91.8 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 178.2 | -72.1 | 171.1 | 0 | 0 | 0 | 112.2 | S22 A23 G30 M80 I83 N84 | S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 3.36Å; A23-L26 PolarHBondContact O-N 2.82Å; L26-G30 PolarHBondContact O-N 2.81Å; L26-M80 HydrophobicContact CD2-CG 3.58Å; L26-M80 WeakPolarHBondContact CD2-O 3.21Å; L26-I83 HydrophobicContact CD2-CB 3.93Å; L26-I83 HydrophobicContact CD2-CG2 3.91Å; L26-I83 HydrophobicContact CG-CB 4.44Å; L26-I83 HydrophobicContact CG-CG2 3.85Å; L26-N84 HydrophobicContact CD2-CB 4.38Å |
| 27 | A | 95.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A23 V24 G30 L31 | A23-A27 WeakPolarHBondContact O-CB 3.32Å; A23-A27 PolarHBondContact O-N 2.88Å; V24-A27 PolarHBondContact O-N 3.5Å; A27-G30 PolarHBondContact O-N 3.13Å; A27-L31 WeakPolarHBondContact O-CB 3.49Å; A27-L31 PolarHBondContact O-N 3.42Å |
| 28 | S | 95.2 | Very high | 93 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | V24 K25 L31 V32 W327 | V24-S28 VanDerWaalsContact O-CB 3.3Å; V24-S28 WeakPolarHBondContact O-CB 3.01Å; V24-S28 PolarHBondContact O-N 3.18Å; V24-S28 PolarHBondContact O-OG 2.85Å; K25-S28 PolarHBondContact O-N 2.87Å; K25-S28 PolarHBondContact O-OG 3.01Å; S28-L31 PolarHBondContact O-N 3.14Å; S28-V32 WeakPolarHBondContact O-CG2 3.23Å; S28-V32 PolarHBondContact O-N 3.32Å; S28-W327 PolarHBondContact OG-NE1 3.3Å |
| 29 | L | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 177.2 | -177.9 | 60.5 | 0 | 0 | 0 | 111.4 | K25 L31 V32 I33 L76 V79 M80 I83 F330 | K25-L29 VanDerWaalsContact O-CB 3.3Å; K25-L29 WeakPolarHBondContact O-CB 2.79Å; K25-L29 PolarHBondContact O-N 2.88Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.23Å; L29-V32 PolarHBondContact O-N 3.24Å; L29-I33 HydrophobicContact CG-CD1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.48Å; L29-I33 PolarHBondContact O-N 3.46Å; L29-L76 HydrophobicContact CD1-CB 4.46Å; L29-L76 HydrophobicContact CD1-CD2 4.38Å; L29-V79 HydrophobicContact CD2-CB 4.17Å; L29-V79 HydrophobicContact CD2-CG1 3.98Å; L29-M80 HydrophobicContact CD2-CB 3.85Å; L29-I83 HydrophobicContact CD2-CD1 3.82Å; L29-F330 HydrophobicContact CD1-CD2 3.74Å; L29-F330 HydrophobicContact CD1-CE2 4.25Å; L29-F330 HydrophobicContact CD1-CG 4.38Å |
| 30 | G | 96.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L26 A27 V32 I33 C34 | L26-G30 PolarHBondContact O-N 2.81Å; A27-G30 PolarHBondContact O-N 3.13Å; G30-V32 PolarHBondContact O-N 2.96Å; G30-I33 PolarHBondContact O-N 2.81Å; G30-C34 PolarHBondContact O-N 2.98Å; G30-C34 PolarHBondContact O-SG 3.03Å |
| 31 | L | 96 | Very high | 94.5 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 56% | 0.555 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 174.7 | -178.1 | 64.5 | 0 | 0 | 0 | 112 | A27 S28 L29 I33 C34 I35 | A27-L31 WeakPolarHBondContact O-CB 3.49Å; A27-L31 PolarHBondContact O-N 3.42Å; S28-L31 PolarHBondContact O-N 3.14Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.23Å; L31-I33 PolarHBondContact O-N 3.31Å; L31-C34 PolarHBondContact O-N 3.28Å; L31-I35 HydrophobicContact CD1-CD1 3.9Å; L31-I35 HydrophobicContact CD1-CG1 4.21Å; L31-I35 HydrophobicContact CD2-CD1 4.45Å; L31-I35 HydrophobicContact CG-CD1 3.8Å; L31-I35 HydrophobicContact CG-CG1 4.45Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.45Å |
| 32 | V | 95.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | S28 L29 G30 S36 L76 F330 V331 | S28-V32 WeakPolarHBondContact O-CG2 3.23Å; S28-V32 PolarHBondContact O-N 3.32Å; L29-V32 PolarHBondContact O-N 3.24Å; G30-V32 PolarHBondContact O-N 2.96Å; V32-S36 WeakPolarHBondContact O-CB 3.18Å; V32-S36 PolarHBondContact O-N 3.21Å; V32-L76 HydrophobicContact CG1-CD1 4.4Å; V32-F330 HydrophobicContact CG1-CB 4.36Å; V32-F330 VanDerWaalsContact CG1-O 3.32Å; V32-F330 WeakPolarHBondContact CG1-O 3.46Å; V32-V331 HydrophobicContact CG2-CG2 4.01Å |
| 33 | I | 96.7 | Very high | 95 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 177.3 | -68.4 | 168.6 | 0 | 0 | 0 | 110.4 | L29 G30 L31 S36 L37 L76 P77 M80 | L29-I33 HydrophobicContact CG-CD1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.48Å; L29-I33 PolarHBondContact O-N 3.46Å; G30-I33 PolarHBondContact O-N 2.81Å; L31-I33 PolarHBondContact O-N 3.31Å; I33-S36 PolarHBondContact O-N 2.97Å; I33-L37 HydrophobicContact CG2-CD1 3.61Å; I33-L37 HydrophobicContact CG2-CG 4.17Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.04Å; I33-L37 PolarHBondContact O-N 3.25Å; I33-L76 HydrophobicContact CD1-CB 3.71Å; I33-L76 HydrophobicContact CG1-CB 3.66Å; I33-L76 HydrophobicContact CG1-CD1 3.82Å; I33-L76 HydrophobicContact CG1-CG 4.4Å; I33-P77 HydrophobicContact CD1-CG 4.46Å; I33-M80 HydrophobicContact CD1-CE 3.78Å |
| 34 | C | 96.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.6 | -49.2 | 179.5 | -70 | 0 | 0 | 0 | 0 | 112.3 | G30 L31 S36 F38 | G30-C34 PolarHBondContact O-N 2.98Å; G30-C34 PolarHBondContact O-SG 3.03Å; L31-C34 PolarHBondContact O-N 3.28Å; C34-S36 VanDerWaalsContact C-N 3.33Å; C34-S36 PolarHBondContact O-N 3.25Å; C34-F38 VanDerWaalsContact O-CB 3.28Å; C34-F38 WeakPolarHBondContact O-CB 3.16Å; C34-F38 PolarHBondContact O-N 3.26Å |
| 35 | I | 95.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 42.8 Ų | 42.8 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 178.8 | -68.2 | 170.8 | 0 | 0 | 0 | 110.4 | L31 G39 I338 | L31-I35 HydrophobicContact CD1-CD1 3.9Å; L31-I35 HydrophobicContact CD1-CG1 4.21Å; L31-I35 HydrophobicContact CD2-CD1 4.45Å; L31-I35 HydrophobicContact CG-CD1 3.8Å; L31-I35 HydrophobicContact CG-CG1 4.45Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.45Å; I35-G39 WeakPolarHBondContact O-CA 3.37Å; I35-G39 PolarHBondContact O-N 3.3Å; I35-I338 HydrophobicContact CG2-CD1 4.44Å |
| 36 | S | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -51.2 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 112 | V32 I33 C34 N40 S72 A333 | V32-S36 WeakPolarHBondContact O-CB 3.18Å; V32-S36 PolarHBondContact O-N 3.21Å; I33-S36 PolarHBondContact O-N 2.97Å; C34-S36 VanDerWaalsContact C-N 3.33Å; C34-S36 PolarHBondContact O-N 3.25Å; S36-N40 VanDerWaalsContact O-CB 3.23Å; S36-N40 WeakPolarHBondContact O-CB 3.47Å; S36-N40 PolarHBondContact O-N 3.15Å; S36-N40 PolarHBondContact O-ND2 3.07Å; S36-N40 PolarHBondContact OG-ND2 3.17Å; S36-S72 WeakPolarHBondContact CB-OG 3.38Å; S36-S72 PolarHBondContact OG-OG 3.4Å; S36-A333 WeakPolarHBondContact OG-CB 3.12Å; S36-A333 PolarHBondContact OG-O 2.98Å |
| 37 | L | 96.7 | Very high | 94.9 | Very high | 57 Ų | 57 | 39.4 Ų | 39.4 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -50.5 | -178.9 | -71.7 | 175.9 | 0 | 0 | 0 | 111.2 | I33 A41 V69 A73 | I33-L37 HydrophobicContact CG2-CD1 3.61Å; I33-L37 HydrophobicContact CG2-CG 4.17Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.04Å; I33-L37 PolarHBondContact O-N 3.25Å; L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 3.43Å; L37-V69 HydrophobicContact CD2-CG1 4.12Å; L37-A73 HydrophobicContact CD2-CB 3.97Å |
| 38 | F | 95.4 | Very high | 94.8 | Very high | 153 Ų | 153 | 40.9 Ų | 40.9 | 67% | 0.671 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.5 | -47.7 | -179.1 | -179.5 | -98.7 | 0 | 0 | 0 | 111.8 | C34 A42 | C34-F38 VanDerWaalsContact O-CB 3.28Å; C34-F38 WeakPolarHBondContact O-CB 3.16Å; C34-F38 PolarHBondContact O-N 3.26Å; F38-A42 WeakPolarHBondContact O-CB 3.5Å; F38-A42 PolarHBondContact O-N 3.13Å |
| 39 | G | 94.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -48.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I35 L43 | I35-G39 WeakPolarHBondContact O-CA 3.37Å; I35-G39 PolarHBondContact O-N 3.3Å; G39-L43 WeakPolarHBondContact O-CB 3.41Å; G39-L43 PolarHBondContact O-N 3.28Å |
| 40 | N | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 179.3 | -70.1 | -65.8 | 0 | 0 | 0 | 111.6 | S36 L43 S44 C65 V69 A333 P337 | S36-N40 VanDerWaalsContact O-CB 3.23Å; S36-N40 WeakPolarHBondContact O-CB 3.47Å; S36-N40 PolarHBondContact O-N 3.15Å; S36-N40 PolarHBondContact O-ND2 3.07Å; S36-N40 PolarHBondContact OG-ND2 3.17Å; N40-L43 PolarHBondContact O-N 2.98Å; N40-S44 WeakPolarHBondContact O-CB 3.43Å; N40-S44 PolarHBondContact O-N 3.29Å; N40-S44 PolarHBondContact O-OG 2.8Å; N40-C65 HydrophobicContact CB-CB 4.1Å; N40-V69 HydrophobicContact CB-CG2 3.61Å; N40-A333 PolarHBondContact ND2-O 3.15Å; N40-P337 WeakPolarHBondContact OD1-CD 3.3Å |
| 41 | A | 94.9 | Very high | 93.8 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L37 L43 S44 L45 | L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 3.43Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.43Å; A41-S44 PolarHBondContact O-N 3.34Å; A41-L45 WeakPolarHBondContact O-CB 3.46Å; A41-L45 VanDerWaalsContact O-CG 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.26Å; A41-L45 PolarHBondContact O-N 2.93Å |
| 42 | A | 92.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F38 L46 | F38-A42 WeakPolarHBondContact O-CB 3.5Å; F38-A42 PolarHBondContact O-N 3.13Å; A42-L46 WeakPolarHBondContact O-CB 3.38Å; A42-L46 PolarHBondContact O-N 2.95Å |
| 43 | L | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 176.6 | -178 | 55.4 | 0 | 0 | 0 | 111.8 | G39 N40 A41 L46 V47 L61 C65 P337 C340 L347 | G39-L43 WeakPolarHBondContact O-CB 3.41Å; G39-L43 PolarHBondContact O-N 3.28Å; N40-L43 PolarHBondContact O-N 2.98Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.43Å; L43-L46 PolarHBondContact O-N 3.41Å; L43-V47 HydrophobicContact CD1-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.48Å; L43-V47 PolarHBondContact O-N 2.96Å; L43-V47 VanDerWaalsContact O-N 3.08Å; L43-L61 HydrophobicContact CD1-CD2 4.36Å; L43-L61 HydrophobicContact CD2-CD1 4.27Å; L43-L61 HydrophobicContact CD2-CD2 4.11Å; L43-L61 HydrophobicContact CD2-CG 4.21Å; L43-L61 HydrophobicContact CG-CD2 4.46Å; L43-C65 VanDerWaalsContact CD2-SG 3.52Å; L43-P337 HydrophobicContact CD2-CB 4.3Å; L43-C340 HydrophobicContact CD2-CB 4Å; L43-L347 HydrophobicContact CD1-CD1 4.1Å; L43-L347 HydrophobicContact CD1-CD2 4.46Å |
| 44 | S | 94.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 174.7 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | N40 A41 L46 V47 L48 C65 | N40-S44 WeakPolarHBondContact O-CB 3.43Å; N40-S44 PolarHBondContact O-N 3.29Å; N40-S44 PolarHBondContact O-OG 2.8Å; A41-S44 PolarHBondContact O-N 3.34Å; S44-L46 VanDerWaalsContact C-N 3.32Å; S44-L46 PolarHBondContact O-N 3.42Å; S44-V47 PolarHBondContact O-N 3.26Å; S44-L48 WeakPolarHBondContact O-CB 3.47Å; S44-L48 VanDerWaalsContact O-CG 3.28Å; S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.35Å; S44-C65 WeakPolarHBondContact OG-CB 3.14Å |
| 45 | L | 92.9 | Very high | 91.9 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 177.6 | -72 | 172.6 | 0 | 0 | 0 | 112.2 | A41 L48 K49 | A41-L45 WeakPolarHBondContact O-CB 3.46Å; A41-L45 VanDerWaalsContact O-CG 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.26Å; A41-L45 PolarHBondContact O-N 2.93Å; L45-L48 PolarHBondContact O-N 3.29Å; L45-K49 VanDerWaalsContact O-CB 3.23Å; L45-K49 WeakPolarHBondContact O-CB 3.41Å; L45-K49 PolarHBondContact O-N 2.94Å |
| 46 | L | 91.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.9 | -179.3 | 64.2 | 0 | 0 | 0 | 111.6 | A42 L43 S44 K49 D50 L53 L347 R350 L351 | A42-L46 WeakPolarHBondContact O-CB 3.38Å; A42-L46 PolarHBondContact O-N 2.95Å; L43-L46 PolarHBondContact O-N 3.41Å; S44-L46 VanDerWaalsContact C-N 3.32Å; S44-L46 PolarHBondContact O-N 3.42Å; L46-K49 PolarHBondContact O-N 3.27Å; L46-D50 PolarHBondContact O-N 3.25Å; L46-D50 VanDerWaalsContact O-N 3.13Å; L46-L53 HydrophobicContact CG-CD1 4.13Å; L46-L347 HydrophobicContact CD2-CB 4.35Å; L46-L347 HydrophobicContact CD2-CD2 3.94Å; L46-R350 HydrophobicContact CD1-CB 3.9Å; L46-L351 HydrophobicContact CD2-CB 4.21Å; L46-L351 HydrophobicContact CD2-CD1 4.28Å |
| 47 | V | 92.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 179.1 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L43 S44 H54 L62 | L43-V47 HydrophobicContact CD1-CG2 4.47Å; L43-V47 WeakPolarHBondContact O-CG2 3.48Å; L43-V47 PolarHBondContact O-N 2.96Å; L43-V47 VanDerWaalsContact O-N 3.08Å; S44-V47 PolarHBondContact O-N 3.26Å; V47-H54 PolarHBondContact O-CD2 3.14Å; V47-H54 PolarHBondContact O-NE2 3.03Å; V47-L62 HydrophobicContact CG1-CB 4.28Å |
| 48 | L | 92.4 | Very high | 91.2 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.7 | -32.4 | 179.2 | -71.1 | 171.8 | 0 | 0 | 0 | 113.4 | S44 L45 L62 | S44-L48 WeakPolarHBondContact O-CB 3.47Å; S44-L48 VanDerWaalsContact O-CG 3.28Å; S44-L48 WeakPolarHBondContact O-CG 3.38Å; S44-L48 PolarHBondContact O-N 3.35Å; L45-L48 PolarHBondContact O-N 3.29Å; L48-L62 HydrophobicContact CD1-CD1 4.38Å; L48-L62 HydrophobicContact CD2-CD1 4.46Å; L48-L62 HydrophobicContact CD2-CD2 3.7Å; L48-L62 HydrophobicContact CG-CD1 4.11Å; L48-L62 HydrophobicContact CG-CD2 4.22Å |
| 49 | K | 90.3 | Very high | 91.2 | Very high | 158 Ų | 158 | 42.2 Ų | 42.2 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -83.3 | -36.1 | -176.8 | -173.8 | 176.5 | 176.5 | 178.9 | 0 | 112.7 | L45 L46 | L45-K49 VanDerWaalsContact O-CB 3.23Å; L45-K49 WeakPolarHBondContact O-CB 3.41Å; L45-K49 PolarHBondContact O-N 2.94Å; L46-K49 PolarHBondContact O-N 3.27Å |
| 50 | D | 88.3 | Confident | 91.3 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | trans | -95.2 | 103.7 | -174.9 | -166.4 | -22.6 | 0 | 0 | 0 | 111.8 | L46 S52 L53 R350 | L46-D50 PolarHBondContact O-N 3.25Å; L46-D50 VanDerWaalsContact O-N 3.13Å; D50-S52 PolarHBondContact O-N 3.07Å; D50-S52 VanDerWaalsContact O-N 3.09Å; D50-S52 VanDerWaalsContact OD1-CB 3.24Å; D50-S52 WeakPolarHBondContact OD1-CB 3.44Å; D50-S52 PolarHBondContact OD1-N 3.38Å; D50-S52 PolarHBondContact OD1-OG 3.35Å; D50-S52 PolarHBondContact OD2-OG 2.98Å; D50-L53 HydrophobicContact CB-CD1 3.98Å; D50-L53 HydrophobicContact CB-CG 4.1Å; D50-L53 WeakPolarHBondContact O-CB 3.38Å; D50-L53 PolarHBondContact O-N 3.43Å; D50-R350 WeakPolarHBondContact OD2-CD 3.35Å; D50-R350 WeakPolarHBondContact OD2-CG 3.38Å; D50-R350 IonicContact OD2-CZ 3.87Å; D50-R350 IonicContact OD2-NE 3.63Å; D50-R350 IonicContact OD2-NH1 2.73Å | ||
| 51 | I | 86.8 | Confident | 91.2 | Very high | 139 Ų | 139 | 41.8 Ų | 41.8 | 71% | 0.713 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -58.3 | -24.6 | 178 | -164.9 | 163.4 | 0 | 0 | 0 | 113.4 | L53 H54 | I51-L53 PolarHBondContact O-N 3.18Å; I51-H54 WeakPolarHBondContact O-CB 3.21Å; I51-H54 PolarHBondContact O-N 3.14Å |
| 52 | S | 83.6 | Confident | 91.3 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -69.9 | -20.2 | 177.6 | 74.9 | 0 | 0 | 0 | 0 | 113 | D50 | D50-S52 PolarHBondContact O-N 3.07Å; D50-S52 VanDerWaalsContact O-N 3.09Å; D50-S52 VanDerWaalsContact OD1-CB 3.24Å; D50-S52 WeakPolarHBondContact OD1-CB 3.44Å; D50-S52 PolarHBondContact OD1-N 3.38Å; D50-S52 PolarHBondContact OD1-OG 3.35Å; D50-S52 PolarHBondContact OD2-OG 2.98Å |
| 53 | L | 85.8 | Confident | 91.5 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -90.3 | -3.5 | 175.6 | -61 | 177.9 | 0 | 0 | 0 | 112.8 | L46 D50 I51 K55 Y58 L347 | L46-L53 HydrophobicContact CG-CD1 4.13Å; D50-L53 HydrophobicContact CB-CD1 3.98Å; D50-L53 HydrophobicContact CB-CG 4.1Å; D50-L53 WeakPolarHBondContact O-CB 3.38Å; D50-L53 PolarHBondContact O-N 3.43Å; I51-L53 PolarHBondContact O-N 3.18Å; L53-K55 PolarHBondContact O-N 2.79Å; L53-Y58 HydrophobicContact CB-CD2 4.38Å; L53-Y58 HydrophobicContact CB-CG 4.44Å; L53-Y58 HydrophobicContact CD2-CD2 4.49Å; L53-Y58 HydrophobicContact CD2-CE1 4.26Å; L53-Y58 HydrophobicContact CD2-CE2 4.07Å; L53-Y58 WeakPolarHBondContact O-CB 3.39Å; L53-Y58 WeakPolarHBondContact O-CD2 3.39Å; L53-L347 HydrophobicContact CD1-CD2 3.6Å; L53-L347 HydrophobicContact CD2-CD2 4.07Å |
| 54 | H | 87.8 | Confident | 91.6 | Very high | 80 Ų | 80 | 41.1 Ų | 41.1 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | trans | -72.1 | 70.3 | 176.8 | -69.1 | 166.8 | 0 | 0 | 0 | 112.2 | V47 I51 F59 | V47-H54 PolarHBondContact O-CD2 3.14Å; V47-H54 PolarHBondContact O-NE2 3.03Å; I51-H54 WeakPolarHBondContact O-CB 3.21Å; I51-H54 PolarHBondContact O-N 3.14Å; H54-F59 HydrophobicContact CB-CZ 3.94Å | ||
| 55 | K | 88.6 | Confident | 91.7 | Very high | 82 Ų | 82 | 40.8 Ų | 40.8 | 36% | 0.357 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -125 | 152.1 | 174.3 | -50 | -178.3 | -179.3 | -176.8 | 0 | 108.9 | L53 P57 Y58 F59 | L53-K55 PolarHBondContact O-N 2.79Å; K55-P57 VanDerWaalsContact C-CD 3.41Å; K55-P57 HydrophobicContact CB-CG 4.3Å; K55-P57 VanDerWaalsContact O-N 3.13Å; K55-Y58 HydrophobicContact CB-CD2 4.01Å; K55-Y58 HydrophobicContact CD-CE2 4.42Å; K55-Y58 HydrophobicContact CG-CD2 4.43Å; K55-Y58 PolarHBondContact O-N 2.97Å; K55-F59 PolarHBondContact O-N 2.99Å |
| 56 | A | 90.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -40.5 | -49.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y58 F59 F60 M135 C140 | A56-Y58 VanDerWaalsContact C-N 3.32Å; A56-Y58 PolarHBondContact O-N 3.39Å; A56-F59 PolarHBondContact O-N 3.3Å; A56-F60 PolarHBondContact O-N 2.93Å; A56-M135 HydrophobicContact CB-CB 4.48Å; A56-C140 WeakPolarHBondContact CB-SG 3.45Å |
| 57 | P | 90.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 178.9 | 19 | -30 | 0 | 0 | 0 | 112.5 | K55 F59 F60 L61 I284 Y288 | K55-P57 VanDerWaalsContact C-CD 3.41Å; K55-P57 HydrophobicContact CB-CG 4.3Å; K55-P57 VanDerWaalsContact O-N 3.13Å; P57-F59 VanDerWaalsContact C-N 3.3Å; P57-F59 PolarHBondContact O-N 3.1Å; P57-F60 PolarHBondContact O-N 3.43Å; P57-F60 VanDerWaalsContact O-N 3.15Å; P57-L61 PolarHBondContact O-N 2.88Å; P57-I284 HydrophobicContact CB-CG2 4.08Å; P57-I284 HydrophobicContact CG-CG2 4.32Å; P57-Y288 HydrophobicContact CB-CE2 3.7Å; P57-Y288 PolarHBondContact O-OH 3.04Å |
| 58 | Y | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -26.5 | -176.6 | -63.1 | -69.3 | 0 | 0 | 0 | 112.5 | L53 K55 A56 L61 L62 I284 N344 L347 | L53-Y58 HydrophobicContact CB-CD2 4.38Å; L53-Y58 HydrophobicContact CB-CG 4.44Å; L53-Y58 HydrophobicContact CD2-CD2 4.49Å; L53-Y58 HydrophobicContact CD2-CE1 4.26Å; L53-Y58 HydrophobicContact CD2-CE2 4.07Å; L53-Y58 WeakPolarHBondContact O-CB 3.39Å; L53-Y58 WeakPolarHBondContact O-CD2 3.39Å; K55-Y58 HydrophobicContact CB-CD2 4.01Å; K55-Y58 HydrophobicContact CD-CE2 4.42Å; K55-Y58 HydrophobicContact CG-CD2 4.43Å; K55-Y58 PolarHBondContact O-N 2.97Å; A56-Y58 VanDerWaalsContact C-N 3.32Å; A56-Y58 PolarHBondContact O-N 3.39Å; Y58-L61 HydrophobicContact CD1-CD2 4.25Å; Y58-L61 PolarHBondContact O-N 2.87Å; Y58-L62 WeakPolarHBondContact O-CB 3.31Å; Y58-L62 PolarHBondContact O-N 3.41Å; Y58-I284 HydrophobicContact CE2-CD1 4.41Å; Y58-N344 PolarHBondContact OH-ND2 2.9Å; Y58-L347 HydrophobicContact CE1-CD1 4.36Å; Y58-L347 HydrophobicContact CE1-CD2 4.17Å; Y58-L347 HydrophobicContact CE1-CG 4.42Å |
| 59 | F | 94.8 | Very high | 92.6 | Very high | 44 Ų | 44 | 36.7 Ų | 36.7 | 19% | 0.193 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 169.5 | -68.1 | -53.3 | 0 | 0 | 0 | 112.5 | H54 K55 A56 P57 L61 L62 D63 L137 | H54-F59 HydrophobicContact CB-CZ 3.94Å; K55-F59 PolarHBondContact O-N 2.99Å; A56-F59 PolarHBondContact O-N 3.3Å; P57-F59 VanDerWaalsContact C-N 3.3Å; P57-F59 PolarHBondContact O-N 3.1Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L62 WeakPolarHBondContact O-CB 3.49Å; F59-L62 PolarHBondContact O-N 3.35Å; F59-D63 PolarHBondContact O-N 3Å; F59-L137 HydrophobicContact CD2-CD1 4.11Å; F59-L137 HydrophobicContact CE1-CD1 4.28Å; F59-L137 HydrophobicContact CE2-CD1 3.64Å; F59-L137 HydrophobicContact CZ-CD1 3.74Å |
| 60 | F | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -33.3 | 173.4 | -58.4 | -31.6 | 0 | 0 | 0 | 112.4 | A56 P57 L64 M113 V117 T120 C140 V143 I144 | A56-F60 PolarHBondContact O-N 2.93Å; P57-F60 PolarHBondContact O-N 3.43Å; P57-F60 VanDerWaalsContact O-N 3.15Å; F60-L64 WeakPolarHBondContact O-CG 3.14Å; F60-L64 PolarHBondContact O-N 3.3Å; F60-L64 VanDerWaalsContact O-N 3.11Å; F60-M113 HydrophobicContact CB-CE 3.84Å; F60-M113 HydrophobicContact CD1-CE 3.77Å; F60-M113 HydrophobicContact CG-CE 4.03Å; F60-V117 HydrophobicContact CB-CG2 3.63Å; F60-V117 HydrophobicContact CD2-CG2 3.93Å; F60-V117 HydrophobicContact CG-CG2 4.1Å; F60-T120 HydrophobicContact CD2-CG2 4.41Å; F60-T120 HydrophobicContact CE2-CG2 3.77Å; F60-T120 WeakPolarHBondContact CE2-OG1 3.28Å; F60-C140 HydrophobicContact CE1-CB 3.99Å; F60-C140 HydrophobicContact CZ-CB 4.33Å; F60-V143 HydrophobicContact CE1-CB 4.11Å; F60-V143 HydrophobicContact CE1-CG1 3.94Å; F60-V143 HydrophobicContact CZ-CB 4.19Å; F60-V143 HydrophobicContact CZ-CG1 3.97Å; F60-I144 HydrophobicContact CD1-CD1 4.18Å; F60-I144 HydrophobicContact CD1-CG1 3.98Å; F60-I144 HydrophobicContact CE1-CD1 4.46Å; F60-I144 HydrophobicContact CE1-CG1 4.14Å |
| 61 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 172.3 | -177.7 | 62.2 | 0 | 0 | 0 | 111.8 | L43 P57 Y58 F59 L64 C65 M287 Y288 I291 | L43-L61 HydrophobicContact CD1-CD2 4.36Å; L43-L61 HydrophobicContact CD2-CD1 4.27Å; L43-L61 HydrophobicContact CD2-CD2 4.11Å; L43-L61 HydrophobicContact CD2-CG 4.21Å; L43-L61 HydrophobicContact CG-CD2 4.46Å; P57-L61 PolarHBondContact O-N 2.88Å; Y58-L61 HydrophobicContact CD1-CD2 4.25Å; Y58-L61 PolarHBondContact O-N 2.87Å; F59-L61 VanDerWaalsContact C-N 3.32Å; L61-L64 PolarHBondContact O-N 3.37Å; L61-C65 PolarHBondContact O-N 2.88Å; L61-C65 PolarHBondContact O-SG 2.99Å; L61-M287 HydrophobicContact CD2-CE 4.42Å; L61-Y288 HydrophobicContact CB-CE1 4.33Å; L61-Y288 WeakPolarHBondContact CB-OH 3.3Å; L61-Y288 HydrophobicContact CD1-CE1 4.46Å; L61-I291 HydrophobicContact CD1-CD1 4.39Å |
| 62 | L | 95.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 11% | 0.105 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 176.2 | 176.3 | 65.8 | 0 | 0 | 0 | 110.9 | V47 L48 Y58 F59 C65 L66 | V47-L62 HydrophobicContact CG1-CB 4.28Å; L48-L62 HydrophobicContact CD1-CD1 4.38Å; L48-L62 HydrophobicContact CD2-CD1 4.46Å; L48-L62 HydrophobicContact CD2-CD2 3.7Å; L48-L62 HydrophobicContact CG-CD1 4.11Å; L48-L62 HydrophobicContact CG-CD2 4.22Å; Y58-L62 WeakPolarHBondContact O-CB 3.31Å; Y58-L62 PolarHBondContact O-N 3.41Å; F59-L62 WeakPolarHBondContact O-CB 3.49Å; F59-L62 PolarHBondContact O-N 3.35Å; L62-C65 PolarHBondContact O-N 3.11Å; L62-L66 HydrophobicContact CD1-CD1 4.22Å; L62-L66 HydrophobicContact CD1-CG 4.24Å; L62-L66 HydrophobicContact CG-CD1 4.04Å; L62-L66 HydrophobicContact CG-CG 4.45Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 3.3Å |
| 63 | D | 97.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 176.2 | 179.8 | 67.8 | 0 | 0 | 0 | 111.9 | F59 C65 L66 A67 H109 M113 I144 W148 | F59-D63 PolarHBondContact O-N 3Å; D63-C65 VanDerWaalsContact C-N 3.34Å; D63-C65 PolarHBondContact O-N 3.31Å; D63-L66 PolarHBondContact O-N 3.38Å; D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.48Å; D63-H109 IonicContact OD1-CE1 3.43Å; D63-H109 IonicContact OD2-CE1 3.71Å; D63-H109 PolarHBondContact OD2-CE1 3.3Å; D63-H109 IonicContact OD2-NE2 2.68Å; D63-H109 PolarHBondContact OD2-NE2 3Å; D63-H109 VanDerWaalsContact OD2-NE2 3.17Å; D63-M113 HydrophobicContact CB-CE 4.39Å; D63-M113 WeakPolarHBondContact OD2-CE 3.39Å; D63-M113 WeakPolarHBondContact OD2-CG 3.41Å; D63-M113 VanDerWaalsContact OD2-SD 3.4Å; D63-I144 HydrophobicContact CB-CD1 4.15Å; D63-I144 HydrophobicContact CB-CG1 4.34Å; D63-I144 WeakPolarHBondContact OD1-CG2 3.44Å; D63-W148 PolarHBondContact OD1-NE1 3.24Å |
| 64 | L | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 173 | -76 | 169 | 0 | 0 | 0 | 112.6 | F60 L61 A67 D68 V110 M113 L114 | F60-L64 WeakPolarHBondContact O-CG 3.14Å; F60-L64 PolarHBondContact O-N 3.3Å; F60-L64 VanDerWaalsContact O-N 3.11Å; L61-L64 PolarHBondContact O-N 3.37Å; L64-A67 PolarHBondContact O-N 2.8Å; L64-D68 PolarHBondContact O-N 2.92Å; L64-V110 HydrophobicContact CD2-CB 4.38Å; L64-V110 HydrophobicContact CD2-CG2 3.83Å; L64-M113 HydrophobicContact CD2-CB 3.83Å; L64-M113 HydrophobicContact CD2-CG 4.47Å; L64-M113 HydrophobicContact CG-CB 4.34Å; L64-L114 HydrophobicContact CD1-CD2 4Å; L64-L114 HydrophobicContact CD2-CD2 4.44Å |
| 65 | C | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 179.8 | -65 | 0 | 0 | 0 | 0 | 111.8 | N40 L43 S44 L61 L62 D63 D68 V69 | N40-C65 HydrophobicContact CB-CB 4.1Å; L43-C65 VanDerWaalsContact CD2-SG 3.52Å; S44-C65 WeakPolarHBondContact OG-CB 3.14Å; L61-C65 PolarHBondContact O-N 2.88Å; L61-C65 PolarHBondContact O-SG 2.99Å; L62-C65 PolarHBondContact O-N 3.11Å; D63-C65 VanDerWaalsContact C-N 3.34Å; D63-C65 PolarHBondContact O-N 3.31Å; C65-D68 PolarHBondContact O-N 3.06Å; C65-V69 WeakPolarHBondContact O-CG2 3.36Å; C65-V69 PolarHBondContact O-N 3.35Å |
| 66 | L | 96.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 21.5 Ų | 21.5 | 42% | 0.419 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 177 | -71 | 173.4 | 0 | 0 | 0 | 111.2 | L62 D63 D68 V69 I70 | L62-L66 HydrophobicContact CD1-CD1 4.22Å; L62-L66 HydrophobicContact CD1-CG 4.24Å; L62-L66 HydrophobicContact CG-CD1 4.04Å; L62-L66 HydrophobicContact CG-CG 4.45Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 3.3Å; D63-L66 PolarHBondContact O-N 3.38Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-D68 PolarHBondContact O-N 3.31Å; L66-V69 PolarHBondContact O-N 2.89Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.36Å; L66-I70 PolarHBondContact O-N 2.95Å |
| 67 | A | 97.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 23 Ų | 23 | 5% | 0.05 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | D63 L64 I70 R71 F106 | D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.48Å; L64-A67 PolarHBondContact O-N 2.8Å; A67-I70 PolarHBondContact O-N 3.42Å; A67-R71 WeakPolarHBondContact O-CB 3.49Å; A67-R71 PolarHBondContact O-N 3.07Å; A67-F106 HydrophobicContact CB-CD1 4.08Å; A67-F106 HydrophobicContact CB-CE1 4.24Å |
| 68 | D | 96.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | 176.4 | -83.4 | -37.5 | 0 | 0 | 0 | 113.2 | L64 C65 L66 R71 S72 N336 | L64-D68 PolarHBondContact O-N 2.92Å; C65-D68 PolarHBondContact O-N 3.06Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-D68 PolarHBondContact O-N 3.31Å; D68-R71 PolarHBondContact O-N 2.98Å; D68-R71 IonicContact OD1-CZ 2.69Å; D68-R71 IonicContact OD1-NE 2.76Å; D68-R71 PolarHBondContact OD1-NE 2.99Å; D68-R71 IonicContact OD1-NH2 3.55Å; D68-R71 PolarHBondContact OD1-NH2 3.29Å; D68-S72 WeakPolarHBondContact O-CB 3.42Å; D68-S72 PolarHBondContact O-N 3.41Å; D68-S72 PolarHBondContact O-OG 2.86Å; D68-N336 PolarHBondContact OD2-ND2 3.01Å |
| 69 | V | 97.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 25.6 Ų | 25.6 | 21% | 0.212 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 172 | 167.5 | 0 | 0 | 0 | 0 | 109.9 | L37 N40 C65 L66 R71 S72 A73 | L37-V69 HydrophobicContact CD2-CG1 4.12Å; N40-V69 HydrophobicContact CB-CG2 3.61Å; C65-V69 WeakPolarHBondContact O-CG2 3.36Å; C65-V69 PolarHBondContact O-N 3.35Å; L66-V69 PolarHBondContact O-N 2.89Å; V69-R71 PolarHBondContact O-N 2.93Å; V69-S72 PolarHBondContact O-N 3.18Å; V69-A73 VanDerWaalsContact O-CB 3.23Å; V69-A73 WeakPolarHBondContact O-CB 3.49Å; V69-A73 PolarHBondContact O-N 3.34Å |
| 70 | I | 96.6 | Very high | 95.5 | Very high | 78 Ų | 78 | 26.2 Ų | 26.2 | 40% | 0.4 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 179.8 | -62 | 163.8 | 0 | 0 | 0 | 110.3 | L66 A67 S72 A73 V74 F106 | L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.36Å; L66-I70 PolarHBondContact O-N 2.95Å; A67-I70 PolarHBondContact O-N 3.42Å; I70-S72 VanDerWaalsContact C-N 3.31Å; I70-S72 PolarHBondContact O-N 2.91Å; I70-A73 PolarHBondContact O-N 3.33Å; I70-V74 HydrophobicContact CG2-CG2 4.14Å; I70-V74 VanDerWaalsContact O-CB 3.3Å; I70-V74 WeakPolarHBondContact O-CB 3.36Å; I70-V74 WeakPolarHBondContact O-CG2 3.34Å; I70-V74 PolarHBondContact O-N 2.59Å; I70-F106 HydrophobicContact CB-CE1 4.29Å; I70-F106 HydrophobicContact CB-CZ 3.9Å; I70-F106 HydrophobicContact CG2-CE1 4.3Å; I70-F106 HydrophobicContact CG2-CE2 4.16Å; I70-F106 HydrophobicContact CG2-CZ 3.47Å; I70-F106 VanDerWaalsContact CG2-CZ 3.47Å |
| 71 | R | 95.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 29 Ų | 29 | 11% | 0.113 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 177.5 | -174.1 | 178.3 | 57.3 | 81.1 | -3.4 | 112.3 | A67 D68 V69 C75 L76 F106 | A67-R71 WeakPolarHBondContact O-CB 3.49Å; A67-R71 PolarHBondContact O-N 3.07Å; D68-R71 PolarHBondContact O-N 2.98Å; D68-R71 IonicContact OD1-CZ 2.69Å; D68-R71 IonicContact OD1-NE 2.76Å; D68-R71 PolarHBondContact OD1-NE 2.99Å; D68-R71 IonicContact OD1-NH2 3.55Å; D68-R71 PolarHBondContact OD1-NH2 3.29Å; V69-R71 PolarHBondContact O-N 2.93Å; R71-C75 HydrophobicContact CG-CB 4.14Å; R71-C75 WeakPolarHBondContact O-CA 3.2Å; R71-C75 VanDerWaalsContact O-CB 3.3Å; R71-C75 WeakPolarHBondContact O-CB 3.48Å; R71-C75 PolarHBondContact O-N 2.91Å; R71-L76 PolarHBondContact O-N 3.09Å; R71-F106 HydrophobicContact CB-CB 4.43Å; R71-F106 HydrophobicContact CB-CD2 3.76Å; R71-F106 HydrophobicContact CB-CE2 4.17Å; R71-F106 HydrophobicContact CB-CG 3.99Å; R71-F106 HydrophobicContact CG-CB 4.35Å; R71-F106 HydrophobicContact CG-CD2 3.95Å; R71-F106 HydrophobicContact CG-CG 4.3Å |
| 72 | S | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -75.4 | -29.4 | -179.3 | -53.4 | 0 | 0 | 0 | 0 | 113 | S36 D68 V69 I70 P77 | S36-S72 WeakPolarHBondContact CB-OG 3.38Å; S36-S72 PolarHBondContact OG-OG 3.4Å; D68-S72 WeakPolarHBondContact O-CB 3.42Å; D68-S72 PolarHBondContact O-N 3.41Å; D68-S72 PolarHBondContact O-OG 2.86Å; V69-S72 PolarHBondContact O-N 3.18Å; I70-S72 VanDerWaalsContact C-N 3.31Å; I70-S72 PolarHBondContact O-N 2.91Å; S72-P77 VanDerWaalsContact O-CD 3.27Å; S72-P77 WeakPolarHBondContact O-CD 3.28Å |
| 73 | A | 96 | Very high | 94.8 | Very high | 52 Ų | 52 | 28.3 Ų | 28.3 | 43% | 0.43 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -82.9 | -29.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L37 V69 I70 P77 | L37-A73 HydrophobicContact CD2-CB 3.97Å; V69-A73 VanDerWaalsContact O-CB 3.23Å; V69-A73 WeakPolarHBondContact O-CB 3.49Å; V69-A73 PolarHBondContact O-N 3.34Å; I70-A73 PolarHBondContact O-N 3.33Å; A73-P77 WeakPolarHBondContact O-CG 2.96Å |
| 74 | V | 94.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 32.7 Ų | 32.7 | 33% | 0.327 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -105.5 | -57.3 | -174.9 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | I70 F78 I99 L102 | I70-V74 HydrophobicContact CG2-CG2 4.14Å; I70-V74 VanDerWaalsContact O-CB 3.3Å; I70-V74 WeakPolarHBondContact O-CB 3.36Å; I70-V74 WeakPolarHBondContact O-CG2 3.34Å; I70-V74 PolarHBondContact O-N 2.59Å; V74-F78 WeakPolarHBondContact O-CD2 3.39Å; V74-I99 HydrophobicContact CG1-CD1 4.29Å; V74-L102 HydrophobicContact CG1-CD1 3.96Å |
| 75 | C | 94.2 | Very high | 94 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -77.5 | -48.2 | -169 | -57 | 0 | 0 | 0 | 0 | 112.6 | R71 F78 V79 | R71-C75 HydrophobicContact CG-CB 4.14Å; R71-C75 WeakPolarHBondContact O-CA 3.2Å; R71-C75 VanDerWaalsContact O-CB 3.3Å; R71-C75 WeakPolarHBondContact O-CB 3.48Å; R71-C75 PolarHBondContact O-N 2.91Å; C75-F78 PolarHBondContact O-N 3.04Å; C75-V79 PolarHBondContact O-N 3.31Å |
| 76 | L | 94.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -34.8 | -175.5 | -60.4 | -175.9 | 0 | 0 | 0 | 114.3 | L29 V32 I33 R71 F78 V79 M80 F330 | L29-L76 HydrophobicContact CD1-CB 4.46Å; L29-L76 HydrophobicContact CD1-CD2 4.38Å; V32-L76 HydrophobicContact CG1-CD1 4.4Å; I33-L76 HydrophobicContact CD1-CB 3.71Å; I33-L76 HydrophobicContact CG1-CB 3.66Å; I33-L76 HydrophobicContact CG1-CD1 3.82Å; I33-L76 HydrophobicContact CG1-CG 4.4Å; R71-L76 PolarHBondContact O-N 3.09Å; L76-F78 VanDerWaalsContact C-N 3.32Å; L76-F78 PolarHBondContact O-N 3.09Å; L76-V79 WeakPolarHBondContact O-CB 3.29Å; L76-V79 PolarHBondContact O-N 3.11Å; L76-V79 VanDerWaalsContact O-N 3.16Å; L76-M80 PolarHBondContact O-N 2.82Å; L76-F330 HydrophobicContact CD2-CB 4.43Å; L76-F330 HydrophobicContact CD2-CD1 3.74Å; L76-F330 HydrophobicContact CD2-CD2 4.45Å; L76-F330 HydrophobicContact CD2-CE1 4.04Å; L76-F330 HydrophobicContact CD2-CG 3.97Å; L76-F330 HydrophobicContact CD2-CZ 4.48Å |
| 77 | P | 94.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 25% | 0.253 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -33.9 | 174.7 | -28.9 | 39.9 | 0 | 0 | 0 | 113.5 | I33 S72 A73 V79 M80 I81 | I33-P77 HydrophobicContact CD1-CG 4.46Å; S72-P77 VanDerWaalsContact O-CD 3.27Å; S72-P77 WeakPolarHBondContact O-CD 3.28Å; A73-P77 WeakPolarHBondContact O-CG 2.96Å; P77-V79 VanDerWaalsContact C-N 3.3Å; P77-V79 PolarHBondContact O-N 3.35Å; P77-M80 WeakPolarHBondContact O-CB 3.24Å; P77-M80 PolarHBondContact O-N 2.86Å; P77-I81 VanDerWaalsContact O-CG1 3.3Å; P77-I81 WeakPolarHBondContact O-CG1 3.5Å; P77-I81 PolarHBondContact O-N 2.92Å |
| 78 | F | 92.9 | Very high | 91.7 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -33.6 | 173.7 | -77.8 | -74.1 | 0 | 0 | 0 | 112.3 | V74 C75 L76 S82 W89 Y91 I99 | V74-F78 WeakPolarHBondContact O-CD2 3.39Å; C75-F78 PolarHBondContact O-N 3.04Å; L76-F78 VanDerWaalsContact C-N 3.32Å; L76-F78 PolarHBondContact O-N 3.09Å; F78-S82 PolarHBondContact O-N 2.92Å; F78-W89 HydrophobicContact CB-CH2 4.45Å; F78-W89 HydrophobicContact CD1-CH2 4.14Å; F78-Y91 HydrophobicContact CD1-CD2 4.41Å; F78-Y91 HydrophobicContact CD1-CE2 4.17Å; F78-Y91 HydrophobicContact CE1-CE2 4.24Å; F78-I99 HydrophobicContact CB-CG1 4.36Å; F78-I99 HydrophobicContact CB-CG2 4.37Å; F78-I99 HydrophobicContact CD2-CD1 3.3Å; F78-I99 HydrophobicContact CD2-CG1 3.75Å; F78-I99 HydrophobicContact CE2-CD1 3.56Å; F78-I99 HydrophobicContact CE2-CG1 4.22Å; F78-I99 HydrophobicContact CG-CD1 4.06Å; F78-I99 HydrophobicContact CG-CG1 3.99Å; F78-I99 HydrophobicContact CZ-CD1 4.45Å |
| 79 | V | 92.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 171.3 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | L29 C75 L76 P77 I81 S82 I83 Q173 F330 | L29-V79 HydrophobicContact CD2-CB 4.17Å; L29-V79 HydrophobicContact CD2-CG1 3.98Å; C75-V79 PolarHBondContact O-N 3.31Å; L76-V79 WeakPolarHBondContact O-CB 3.29Å; L76-V79 PolarHBondContact O-N 3.11Å; L76-V79 VanDerWaalsContact O-N 3.16Å; P77-V79 VanDerWaalsContact C-N 3.3Å; P77-V79 PolarHBondContact O-N 3.35Å; V79-I81 VanDerWaalsContact C-N 3.35Å; V79-I81 PolarHBondContact O-N 3.39Å; V79-S82 WeakPolarHBondContact O-CB 3.41Å; V79-S82 PolarHBondContact O-N 3.35Å; V79-S82 VanDerWaalsContact O-N 3.09Å; V79-I83 HydrophobicContact CG1-CD1 4.22Å; V79-I83 WeakPolarHBondContact O-CG1 3.49Å; V79-I83 PolarHBondContact O-N 3.32Å; V79-Q173 HydrophobicContact CG2-CB 3.91Å; V79-F330 HydrophobicContact CG1-CE2 3.85Å; V79-F330 HydrophobicContact CG1-CZ 4Å; V79-F330 HydrophobicContact CG2-CZ 4.2Å |
| 80 | M | 92.7 | Very high | 90.2 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 28% | 0.281 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 176.2 | -173.4 | -174.5 | -82.9 | 0 | 0 | 112.4 | L26 L29 I33 L76 P77 S82 I83 N84 | L26-M80 HydrophobicContact CD2-CG 3.58Å; L26-M80 WeakPolarHBondContact CD2-O 3.21Å; L29-M80 HydrophobicContact CD2-CB 3.85Å; I33-M80 HydrophobicContact CD1-CE 3.78Å; L76-M80 PolarHBondContact O-N 2.82Å; P77-M80 WeakPolarHBondContact O-CB 3.24Å; P77-M80 PolarHBondContact O-N 2.86Å; M80-S82 VanDerWaalsContact C-N 3.3Å; M80-S82 PolarHBondContact O-N 3.22Å; M80-I83 PolarHBondContact O-N 2.96Å; M80-N84 PolarHBondContact O-N 3.38Å |
| 81 | I | 91.8 | Very high | 89.7 | Confident | 58 Ų | 58 | 50 Ų | 50 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 176.4 | -66.1 | 162.4 | 0 | 0 | 0 | 110.9 | P77 V79 N84 N85 Y91 | P77-I81 VanDerWaalsContact O-CG1 3.3Å; P77-I81 WeakPolarHBondContact O-CG1 3.5Å; P77-I81 PolarHBondContact O-N 2.92Å; V79-I81 VanDerWaalsContact C-N 3.35Å; V79-I81 PolarHBondContact O-N 3.39Å; I81-N84 PolarHBondContact O-N 2.82Å; I81-N85 PolarHBondContact O-N 3.42Å; I81-Y91 HydrophobicContact CG2-CE2 3.8Å |
| 82 | S | 90.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 177 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | F78 V79 M80 N84 N85 S87 F167 E172 | F78-S82 PolarHBondContact O-N 2.92Å; V79-S82 WeakPolarHBondContact O-CB 3.41Å; V79-S82 PolarHBondContact O-N 3.35Å; V79-S82 VanDerWaalsContact O-N 3.09Å; M80-S82 VanDerWaalsContact C-N 3.3Å; M80-S82 PolarHBondContact O-N 3.22Å; S82-N84 VanDerWaalsContact C-N 3.35Å; S82-N84 PolarHBondContact O-N 3.25Å; S82-N85 PolarHBondContact O-N 3.43Å; S82-S87 VanDerWaalsContact O-CA 3.27Å; S82-S87 WeakPolarHBondContact O-CA 3.24Å; S82-S87 PolarHBondContact O-N 2.98Å; S82-F167 WeakPolarHBondContact OG-CE2 3.48Å; S82-F167 WeakPolarHBondContact OG-CZ 3.17Å; S82-E172 WeakPolarHBondContact CB-O 3.42Å; S82-E172 PolarHBondContact OG-O 3.46Å |
| 83 | I | 89.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.7 | -59.6 | 161.9 | 0 | 0 | 0 | 110.7 | K25 L26 L29 V79 M80 N85 R86 E172 W327 | K25-I83 HydrophobicContact CB-CD1 4.36Å; K25-I83 HydrophobicContact CB-CG2 4.09Å; K25-I83 HydrophobicContact CD-CG2 4.47Å; L26-I83 HydrophobicContact CD2-CB 3.93Å; L26-I83 HydrophobicContact CD2-CG2 3.91Å; L26-I83 HydrophobicContact CG-CB 4.44Å; L26-I83 HydrophobicContact CG-CG2 3.85Å; L29-I83 HydrophobicContact CD2-CD1 3.82Å; V79-I83 HydrophobicContact CG1-CD1 4.22Å; V79-I83 WeakPolarHBondContact O-CG1 3.49Å; V79-I83 PolarHBondContact O-N 3.32Å; M80-I83 PolarHBondContact O-N 2.96Å; I83-N85 VanDerWaalsContact C-N 3.26Å; I83-N85 PolarHBondContact O-N 2.91Å; I83-R86 PolarHBondContact O-N 2.97Å; I83-E172 HydrophobicContact CG1-CB 4.17Å; I83-W327 HydrophobicContact CD1-CH2 3.73Å; I83-W327 HydrophobicContact CD1-CZ2 4.05Å |
| 84 | N | 89.6 | Confident | 88.6 | Confident | 108 Ų | 108 | 58.5 Ų | 58.5 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.5 | -35.9 | 178.8 | -173.9 | 74 | 0 | 0 | 0 | 112.3 | L26 M80 I81 S82 R86 | L26-N84 HydrophobicContact CD2-CB 4.38Å; M80-N84 PolarHBondContact O-N 3.38Å; I81-N84 PolarHBondContact O-N 2.82Å; S82-N84 VanDerWaalsContact C-N 3.35Å; S82-N84 PolarHBondContact O-N 3.25Å; N84-R86 PolarHBondContact O-N 3.19Å |
| 85 | N | 87.4 | Confident | 88.4 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 29.2 | 179.2 | -64.5 | -11.7 | 0 | 0 | 0 | 113 | I81 S82 I83 S87 I88 T90 | I81-N85 PolarHBondContact O-N 3.42Å; S82-N85 PolarHBondContact O-N 3.43Å; I83-N85 VanDerWaalsContact C-N 3.26Å; I83-N85 PolarHBondContact O-N 2.91Å; N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 2.94Å; N85-I88 WeakPolarHBondContact O-CB 3.45Å; N85-I88 PolarHBondContact O-N 2.95Å; N85-T90 HydrophobicContact CB-CG2 4.42Å; N85-T90 PolarHBondContact ND2-OG1 3.4Å |
| 86 | R | 82.4 | Confident | 88.2 | Confident | 188 Ų | 188 | 61 Ų | 61 | 71% | 0.709 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 36.8 | -179.4 | -55.9 | 179.3 | -175.6 | -104.2 | -0.1 | 113.4 | I83 N84 I88 | I83-R86 PolarHBondContact O-N 2.97Å; N84-R86 PolarHBondContact O-N 3.19Å; R86-I88 PolarHBondContact O-N 3.46Å |
| 87 | S | 79.9 | Confident | 88.1 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 31.2 | 178.5 | -45.6 | 0 | 0 | 0 | 0 | 112.7 | S82 N85 F167 H169 E172 | S82-S87 VanDerWaalsContact O-CA 3.27Å; S82-S87 WeakPolarHBondContact O-CA 3.24Å; S82-S87 PolarHBondContact O-N 2.98Å; N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 2.94Å; S87-F167 WeakPolarHBondContact O-CE1 3.49Å; S87-H169 PolarHBondContact O-ND1 3.12Å; S87-E172 WeakPolarHBondContact OG-CG 3.23Å; S87-E172 PolarHBondContact OG-OE1 3.32Å |
| 88 | I | 80.9 | Confident | 88 | Confident | 100 Ų | 100 | 66.2 Ų | 66.2 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | trans | -106.6 | 125 | 172.3 | -58.3 | 169.4 | 0 | 0 | 0 | 108.4 | N85 R86 T90 | N85-I88 WeakPolarHBondContact O-CB 3.45Å; N85-I88 PolarHBondContact O-N 2.95Å; R86-I88 PolarHBondContact O-N 3.46Å; I88-T90 HydrophobicContact CG2-CG2 4.46Å; I88-T90 PolarHBondContact O-N 3.46Å | ||
| 89 | W | 82.7 | Confident | 88 | Confident | 44 Ų | 44 | 64.1 Ų | 64.1 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | trans | -79.1 | 100.2 | 174.9 | -173 | -97.1 | 0 | 0 | 0 | 110.4 | F78 Y91 S92 R95 C96 F167 | F78-W89 HydrophobicContact CB-CH2 4.45Å; F78-W89 HydrophobicContact CD1-CH2 4.14Å; W89-Y91 VanDerWaalsContact C-N 3.34Å; W89-Y91 HydrophobicContact CH2-CD2 4.21Å; W89-Y91 HydrophobicContact CZ2-CD2 4.16Å; W89-Y91 HydrophobicContact CZ2-CG 4.36Å; W89-Y91 HydrophobicContact CZ3-CD2 4.5Å; W89-Y91 PolarHBondContact NE1-O 3.19Å; W89-S92 PolarHBondContact NE1-O 3.04Å; W89-R95 HydrophobicContact CZ2-CB 4.11Å; W89-C96 HydrophobicContact CD2-CB 4.37Å; W89-C96 HydrophobicContact CZ2-CB 3.79Å; W89-F167 HydrophobicContact CB-CB 4.17Å; W89-F167 HydrophobicContact CB-CD1 4.03Å; W89-F167 HydrophobicContact CB-CD2 4.01Å; W89-F167 HydrophobicContact CB-CE1 4.47Å; W89-F167 HydrophobicContact CB-CE2 4.46Å; W89-F167 HydrophobicContact CB-CG 3.77Å; W89-F167 HydrophobicContact CD2-CD2 4.26Å; W89-F167 AromaticContact CE3-CD2 3.83Å; W89-F167 HydrophobicContact CE3-CD2 3.83Å; W89-F167 HydrophobicContact CE3-CE2 4.09Å; W89-F167 HydrophobicContact CG-CB 4.48Å; W89-F167 HydrophobicContact CG-CD2 4.37Å; W89-F167 HydrophobicContact CG-CG 4.38Å | ||
| 90 | T | 80.3 | Confident | 88 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | trans | -84.3 | -8.6 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | N85 I88 | N85-T90 HydrophobicContact CB-CG2 4.42Å; N85-T90 PolarHBondContact ND2-OG1 3.4Å; I88-T90 HydrophobicContact CG2-CG2 4.46Å; I88-T90 PolarHBondContact O-N 3.46Å | ||
| 91 | Y | 85.9 | Confident | 88.1 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -90.2 | 168.3 | -177.7 | -70.3 | -65 | 0 | 0 | 0 | 112.5 | F78 I81 W89 R95 | F78-Y91 HydrophobicContact CD1-CD2 4.41Å; F78-Y91 HydrophobicContact CD1-CE2 4.17Å; F78-Y91 HydrophobicContact CE1-CE2 4.24Å; I81-Y91 HydrophobicContact CG2-CE2 3.8Å; W89-Y91 VanDerWaalsContact C-N 3.34Å; W89-Y91 HydrophobicContact CH2-CD2 4.21Å; W89-Y91 HydrophobicContact CZ2-CD2 4.16Å; W89-Y91 HydrophobicContact CZ2-CG 4.36Å; W89-Y91 HydrophobicContact CZ3-CD2 4.5Å; W89-Y91 PolarHBondContact NE1-O 3.19Å; Y91-R95 VanDerWaalsContact CD1-NE 3.29Å |
| 92 | S | 88 | Confident | 88.3 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | trans | -60.4 | 149.4 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | W89 I94 R95 C96 | W89-S92 PolarHBondContact NE1-O 3.04Å; S92-I94 PolarHBondContact O-N 3.1Å; S92-I94 PolarHBondContact OG-N 2.92Å; S92-R95 PolarHBondContact O-N 3.4Å; S92-R95 VanDerWaalsContact O-N 3.11Å; S92-C96 PolarHBondContact O-N 2.69Å | ||
| 93 | I | 86.3 | Confident | 88.4 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.3 | -34.4 | 172.4 | -175 | 59.9 | 0 | 0 | 0 | 112.3 | R95 C96 K97 | I93-R95 PolarHBondContact O-N 3.01Å; I93-C96 WeakPolarHBondContact O-CB 3.38Å; I93-C96 PolarHBondContact O-N 2.92Å; I93-K97 WeakPolarHBondContact O-CG 3.38Å; I93-K97 PolarHBondContact O-N 2.97Å |
| 94 | I | 89.1 | Confident | 88.5 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 179.2 | -60.5 | 172 | 0 | 0 | 0 | 110.4 | S92 C96 K97 I98 | S92-I94 PolarHBondContact O-N 3.1Å; S92-I94 PolarHBondContact OG-N 2.92Å; I94-C96 VanDerWaalsContact C-N 3.33Å; I94-C96 PolarHBondContact O-N 2.93Å; I94-K97 PolarHBondContact O-N 3.45Å; I94-I98 HydrophobicContact CG2-CD1 4.06Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 3.3Å |
| 95 | R | 90.5 | Very high | 88.8 | Confident | 110 Ų | 110 | 58.8 Ų | 58.8 | 42% | 0.415 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.3 | -70.4 | -170.9 | -74.5 | -85.5 | 3.6 | 111.1 | W89 Y91 S92 I93 K97 I98 I99 | W89-R95 HydrophobicContact CZ2-CB 4.11Å; Y91-R95 VanDerWaalsContact CD1-NE 3.29Å; S92-R95 PolarHBondContact O-N 3.4Å; S92-R95 VanDerWaalsContact O-N 3.11Å; I93-R95 PolarHBondContact O-N 3.01Å; R95-K97 VanDerWaalsContact C-N 3.35Å; R95-K97 PolarHBondContact O-N 3.41Å; R95-I98 PolarHBondContact O-N 3.48Å; R95-I99 WeakPolarHBondContact O-CG1 3.35Å; R95-I99 PolarHBondContact O-N 3.08Å |
| 96 | C | 90.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.9 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | W89 S92 I93 I94 I98 I99 A100 C174 | W89-C96 HydrophobicContact CD2-CB 4.37Å; W89-C96 HydrophobicContact CZ2-CB 3.79Å; S92-C96 PolarHBondContact O-N 2.69Å; I93-C96 WeakPolarHBondContact O-CB 3.38Å; I93-C96 PolarHBondContact O-N 2.92Å; I94-C96 VanDerWaalsContact C-N 3.33Å; I94-C96 PolarHBondContact O-N 2.93Å; C96-I98 PolarHBondContact O-N 2.86Å; C96-I99 PolarHBondContact O-N 3.32Å; C96-A100 WeakPolarHBondContact O-CB 3.28Å; C96-A100 PolarHBondContact O-N 3.42Å; C96-C174 WeakPolarHBondContact CA-SG 3.31Å; C96-C174 HydrophobicContact CB-CB 4.11Å; C96-C174 WeakPolarHBondContact CB-SG 3.03Å; C96-C174 WeakPolarHBondContact O-CB 3.21Å; C96-C174 WeakPolarHBondContact SG-CB 3.37Å; C96-C174 CovalentContact SG-SG 2.04Å; C96-C174 PolarHBondContact SG-SG 2.97Å |
| 97 | K | 90.9 | Very high | 89.7 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 27% | 0.265 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 176.1 | -72.7 | -170.7 | 171.7 | -161.3 | 0 | 112.5 | I93 I94 R95 A100 F101 | I93-K97 WeakPolarHBondContact O-CG 3.38Å; I93-K97 PolarHBondContact O-N 2.97Å; I94-K97 PolarHBondContact O-N 3.45Å; R95-K97 VanDerWaalsContact C-N 3.35Å; R95-K97 PolarHBondContact O-N 3.41Å; K97-A100 PolarHBondContact O-N 3.01Å; K97-F101 VanDerWaalsContact O-CB 3.32Å; K97-F101 WeakPolarHBondContact O-CB 3.5Å; K97-F101 PolarHBondContact O-N 3.28Å |
| 98 | I | 92.8 | Very high | 90.4 | Very high | 91 Ų | 91 | 47.7 Ų | 47.7 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 177.7 | -67.5 | 167.1 | 0 | 0 | 0 | 111 | I94 R95 C96 F101 L102 | I94-I98 HydrophobicContact CG2-CD1 4.06Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 3.3Å; R95-I98 PolarHBondContact O-N 3.48Å; C96-I98 PolarHBondContact O-N 2.86Å; I98-F101 PolarHBondContact O-N 3.45Å; I98-L102 HydrophobicContact CG2-CD1 4.1Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 2.64Å |
| 99 | I | 93.7 | Very high | 91.2 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -39 | 179.7 | -63.1 | -53.8 | 0 | 0 | 0 | 111.8 | V74 F78 R95 C96 L102 S103 | V74-I99 HydrophobicContact CG1-CD1 4.29Å; F78-I99 HydrophobicContact CB-CG1 4.36Å; F78-I99 HydrophobicContact CB-CG2 4.37Å; F78-I99 HydrophobicContact CD2-CD1 3.3Å; F78-I99 HydrophobicContact CD2-CG1 3.75Å; F78-I99 HydrophobicContact CE2-CD1 3.56Å; F78-I99 HydrophobicContact CE2-CG1 4.22Å; F78-I99 HydrophobicContact CG-CD1 4.06Å; F78-I99 HydrophobicContact CG-CG1 3.99Å; F78-I99 HydrophobicContact CZ-CD1 4.45Å; R95-I99 WeakPolarHBondContact O-CG1 3.35Å; R95-I99 PolarHBondContact O-N 3.08Å; C96-I99 PolarHBondContact O-N 3.32Å; I99-L102 HydrophobicContact CD1-CD1 4.44Å; I99-L102 PolarHBondContact O-N 3.25Å; I99-S103 WeakPolarHBondContact O-CB 3.49Å; I99-S103 PolarHBondContact O-N 2.73Å; I99-S103 PolarHBondContact O-OG 3.32Å |
| 100 | A | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C96 K97 S103 V104 Y165 C174 | C96-A100 WeakPolarHBondContact O-CB 3.28Å; C96-A100 PolarHBondContact O-N 3.42Å; K97-A100 PolarHBondContact O-N 3.01Å; A100-S103 PolarHBondContact O-N 2.92Å; A100-V104 PolarHBondContact O-N 3.08Å; A100-Y165 HydrophobicContact CB-CD1 3.44Å; A100-Y165 VanDerWaalsContact CB-CD1 3.44Å; A100-Y165 HydrophobicContact CB-CE1 4.1Å; A100-Y165 HydrophobicContact CB-CG 3.76Å; A100-C174 VanDerWaalsContact CA-O 3.29Å; A100-C174 WeakPolarHBondContact CA-O 3.46Å; A100-C174 HydrophobicContact CB-CB 4.15Å; A100-C174 WeakPolarHBondContact CB-O 3.37Å |
| 101 | F | 94.4 | Very high | 92.5 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 18% | 0.18 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 175 | 169.8 | -95.7 | 0 | 0 | 0 | 111.9 | K97 I98 S103 V104 L105 A155 F156 V159 Y165 | K97-F101 VanDerWaalsContact O-CB 3.32Å; K97-F101 WeakPolarHBondContact O-CB 3.5Å; K97-F101 PolarHBondContact O-N 3.28Å; I98-F101 PolarHBondContact O-N 3.45Å; F101-S103 VanDerWaalsContact C-N 3.33Å; F101-S103 PolarHBondContact O-N 3.06Å; F101-V104 PolarHBondContact O-N 3.46Å; F101-L105 HydrophobicContact CE1-CD2 4.03Å; F101-L105 HydrophobicContact CZ-CD2 4.39Å; F101-L105 VanDerWaalsContact O-CB 3.26Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 PolarHBondContact O-N 3.29Å; F101-A155 HydrophobicContact CD2-CB 3.89Å; F101-A155 WeakPolarHBondContact CD2-O 3.3Å; F101-A155 HydrophobicContact CE2-CB 3.59Å; F101-A155 HydrophobicContact CZ-CB 4.32Å; F101-F156 HydrophobicContact CE2-CD2 4.29Å; F101-V159 HydrophobicContact CD2-CG2 3.7Å; F101-V159 HydrophobicContact CE2-CG2 4.36Å; F101-V159 HydrophobicContact CG-CG2 4.41Å; F101-Y165 HydrophobicContact CB-CE2 4.23Å |
| 102 | L | 95.4 | Very high | 93 | Very high | 39 Ų | 39 | 34.5 Ų | 34.5 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 178.5 | -72.9 | 175.7 | 0 | 0 | 0 | 111.7 | V74 I98 I99 V104 L105 F106 | V74-L102 HydrophobicContact CG1-CD1 3.96Å; I98-L102 HydrophobicContact CG2-CD1 4.1Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 2.64Å; I99-L102 HydrophobicContact CD1-CD1 4.44Å; I99-L102 PolarHBondContact O-N 3.25Å; L102-V104 VanDerWaalsContact C-N 3.34Å; L102-V104 PolarHBondContact O-N 3.42Å; L102-L105 HydrophobicContact CD2-CD2 4.24Å; L102-L105 WeakPolarHBondContact O-CB 3.47Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-F106 HydrophobicContact CB-CD2 4.43Å; L102-F106 HydrophobicContact CB-CE2 4.18Å; L102-F106 HydrophobicContact CD2-CE2 4.32Å; L102-F106 WeakPolarHBondContact O-CD2 3.3Å; L102-F106 PolarHBondContact O-N 3.13Å |
| 103 | S | 93.3 | Very high | 93.4 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 178.7 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | I99 A100 F101 C107 | I99-S103 WeakPolarHBondContact O-CB 3.49Å; I99-S103 PolarHBondContact O-N 2.73Å; I99-S103 PolarHBondContact O-OG 3.32Å; A100-S103 PolarHBondContact O-N 2.92Å; F101-S103 VanDerWaalsContact C-N 3.33Å; F101-S103 PolarHBondContact O-N 3.06Å; S103-C107 WeakPolarHBondContact O-CB 3.29Å; S103-C107 PolarHBondContact O-N 3.18Å; S103-C107 VanDerWaalsContact O-N 3.17Å |
| 104 | V | 92.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 174.8 | 166.4 | 0 | 0 | 0 | 0 | 112 | A100 F101 L102 F106 C107 F108 A155 Y165 F176 F189 | A100-V104 PolarHBondContact O-N 3.08Å; F101-V104 PolarHBondContact O-N 3.46Å; L102-V104 VanDerWaalsContact C-N 3.34Å; L102-V104 PolarHBondContact O-N 3.42Å; V104-F106 PolarHBondContact O-N 2.99Å; V104-C107 WeakPolarHBondContact O-CB 3.26Å; V104-C107 PolarHBondContact O-N 2.96Å; V104-F108 HydrophobicContact CG1-CD2 3.78Å; V104-F108 HydrophobicContact CG1-CE2 3.66Å; V104-F108 WeakPolarHBondContact O-CD2 3.44Å; V104-F108 PolarHBondContact O-N 3.39Å; V104-A155 HydrophobicContact CB-CB 4.48Å; V104-A155 HydrophobicContact CG1-CB 3.79Å; V104-Y165 HydrophobicContact CG2-CE1 3.94Å; V104-F176 HydrophobicContact CG2-CB 4.3Å; V104-F189 HydrophobicContact CB-CZ 4.5Å; V104-F189 HydrophobicContact CG1-CE2 3.79Å; V104-F189 HydrophobicContact CG1-CZ 3.48Å; V104-F189 VanDerWaalsContact CG1-CZ 3.48Å; V104-F189 HydrophobicContact CG2-CZ 4.23Å |
| 105 | L | 95.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 6% | 0.058 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56 | -50.9 | 177.4 | 174 | 66.3 | 0 | 0 | 0 | 111.1 | F101 L102 C107 F108 H109 W148 V152 A155 | F101-L105 HydrophobicContact CE1-CD2 4.03Å; F101-L105 HydrophobicContact CZ-CD2 4.39Å; F101-L105 VanDerWaalsContact O-CB 3.26Å; F101-L105 WeakPolarHBondContact O-CB 3.41Å; F101-L105 PolarHBondContact O-N 3.29Å; L102-L105 HydrophobicContact CD2-CD2 4.24Å; L102-L105 WeakPolarHBondContact O-CB 3.47Å; L102-L105 PolarHBondContact O-N 3.49Å; L105-C107 VanDerWaalsContact C-N 3.31Å; L105-C107 PolarHBondContact O-N 3.32Å; L105-F108 PolarHBondContact O-N 2.97Å; L105-H109 VanDerWaalsContact O-CB 3.25Å; L105-H109 WeakPolarHBondContact O-CB 3.25Å; L105-H109 PolarHBondContact O-N 3.07Å; L105-W148 HydrophobicContact CD2-CZ3 4.21Å; L105-V152 HydrophobicContact CD1-CB 4.3Å; L105-V152 HydrophobicContact CD1-CG2 3.59Å; L105-A155 HydrophobicContact CB-CB 4.06Å; L105-A155 HydrophobicContact CD1-CB 4.44Å |
| 106 | F | 95.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 5% | 0.048 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.7 | -33.9 | 179.3 | -70.7 | -59.3 | 0 | 0 | 0 | 112.5 | A67 I70 R71 L102 V104 H109 V110 W148 | A67-F106 HydrophobicContact CB-CD1 4.08Å; A67-F106 HydrophobicContact CB-CE1 4.24Å; I70-F106 HydrophobicContact CB-CE1 4.29Å; I70-F106 HydrophobicContact CB-CZ 3.9Å; I70-F106 HydrophobicContact CG2-CE1 4.3Å; I70-F106 HydrophobicContact CG2-CE2 4.16Å; I70-F106 HydrophobicContact CG2-CZ 3.47Å; I70-F106 VanDerWaalsContact CG2-CZ 3.47Å; R71-F106 HydrophobicContact CB-CB 4.43Å; R71-F106 HydrophobicContact CB-CD2 3.76Å; R71-F106 HydrophobicContact CB-CE2 4.17Å; R71-F106 HydrophobicContact CB-CG 3.99Å; R71-F106 HydrophobicContact CG-CB 4.35Å; R71-F106 HydrophobicContact CG-CD2 3.95Å; R71-F106 HydrophobicContact CG-CG 4.3Å; L102-F106 HydrophobicContact CB-CD2 4.43Å; L102-F106 HydrophobicContact CB-CE2 4.18Å; L102-F106 HydrophobicContact CD2-CE2 4.32Å; L102-F106 WeakPolarHBondContact O-CD2 3.3Å; L102-F106 PolarHBondContact O-N 3.13Å; V104-F106 PolarHBondContact O-N 2.99Å; F106-H109 PolarHBondContact O-N 3.21Å; F106-V110 WeakPolarHBondContact O-CG1 3.47Å; F106-V110 PolarHBondContact O-N 2.97Å; F106-W148 AromaticContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CZ3 4.44Å |
| 107 | C | 93.2 | Very high | 94.7 | Very high | 15 Ų | 15 | 21 Ų | 21 | 10% | 0.101 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | S103 V104 L105 V110 A111 W299 | S103-C107 WeakPolarHBondContact O-CB 3.29Å; S103-C107 PolarHBondContact O-N 3.18Å; S103-C107 VanDerWaalsContact O-N 3.17Å; V104-C107 WeakPolarHBondContact O-CB 3.26Å; V104-C107 PolarHBondContact O-N 2.96Å; L105-C107 VanDerWaalsContact C-N 3.31Å; L105-C107 PolarHBondContact O-N 3.32Å; C107-V110 WeakPolarHBondContact O-CG1 3.5Å; C107-A111 PolarHBondContact O-N 3.27Å; C107-W299 HydrophobicContact CB-CH2 3.91Å; C107-W299 WeakPolarHBondContact SG-CH2 3.3Å; C107-W299 WeakPolarHBondContact SG-CZ3 3.36Å |
| 108 | F | 94 | Very high | 94.9 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.3 | -37.4 | 175.6 | -76.4 | -64.5 | 0 | 0 | 0 | 112.9 | V104 L105 V110 A111 F112 M154 F189 M192 L193 | V104-F108 HydrophobicContact CG1-CD2 3.78Å; V104-F108 HydrophobicContact CG1-CE2 3.66Å; V104-F108 WeakPolarHBondContact O-CD2 3.44Å; V104-F108 PolarHBondContact O-N 3.39Å; L105-F108 PolarHBondContact O-N 2.97Å; F108-V110 VanDerWaalsContact C-N 3.34Å; F108-V110 PolarHBondContact O-N 3.22Å; F108-A111 PolarHBondContact O-N 3.05Å; F108-A111 VanDerWaalsContact O-N 3.14Å; F108-F112 HydrophobicContact CB-CD2 4.09Å; F108-F112 HydrophobicContact CB-CE2 4.12Å; F108-F112 HydrophobicContact CD1-CE2 4.31Å; F108-F112 WeakPolarHBondContact O-CB 3.39Å; F108-F112 VanDerWaalsContact O-CD2 3.26Å; F108-F112 WeakPolarHBondContact O-CD2 3.46Å; F108-F112 PolarHBondContact O-N 2.8Å; F108-M154 HydrophobicContact CD1-CB 4.47Å; F108-M154 HydrophobicContact CD2-CB 3.86Å; F108-M154 HydrophobicContact CE2-CB 3.9Å; F108-M154 HydrophobicContact CG-CB 4.12Å; F108-M154 HydrophobicContact CZ-CB 4.29Å; F108-F189 HydrophobicContact CD2-CE2 4.39Å; F108-F189 HydrophobicContact CD2-CZ 4.24Å; F108-F189 AromaticContact CE2-CD2 3.91Å; F108-F189 HydrophobicContact CE2-CD2 3.91Å; F108-F189 AromaticContact CE2-CE1 3.83Å; F108-F189 HydrophobicContact CE2-CE1 3.83Å; F108-F189 AromaticContact CE2-CE2 3.13Å; F108-F189 HydrophobicContact CE2-CE2 3.13Å; F108-F189 AromaticContact CE2-CZ 3.08Å; F108-F189 HydrophobicContact CE2-CZ 3.08Å; F108-F189 AromaticContact CZ-CD1 3.94Å; F108-F189 HydrophobicContact CZ-CD1 3.94Å; F108-F189 AromaticContact CZ-CD2 3.73Å; F108-F189 HydrophobicContact CZ-CD2 3.73Å; F108-F189 AromaticContact CZ-CE1 3.54Å; F108-F189 HydrophobicContact CZ-CE1 3.54Å; F108-F189 AromaticContact CZ-CE2 3.39Å; F108-F189 HydrophobicContact CZ-CE2 3.39Å; F108-F189 HydrophobicContact CZ-CG 4.03Å; F108-F189 AromaticContact CZ-CZ 3.29Å; F108-F189 HydrophobicContact CZ-CZ 3.29Å; F108-M192 HydrophobicContact CD1-CE 4.09Å; F108-M192 HydrophobicContact CE1-CE 3.31Å; F108-M192 HydrophobicContact CE2-CE 4.39Å; F108-M192 HydrophobicContact CZ-CE 3.5Å; F108-M192 VanDerWaalsContact CZ-CE 3.5Å; F108-L193 HydrophobicContact CD1-CD1 4.28Å; F108-L193 HydrophobicContact CE1-CB 4.28Å; F108-L193 HydrophobicContact CE1-CD1 4.15Å |
| 109 | H | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 177.4 | 174.1 | 78.8 | 0 | 0 | 0 | 111 | D63 L105 F106 A111 F112 M113 W148 S151 | D63-H109 IonicContact OD1-CE1 3.43Å; D63-H109 IonicContact OD2-CE1 3.71Å; D63-H109 PolarHBondContact OD2-CE1 3.3Å; D63-H109 IonicContact OD2-NE2 2.68Å; D63-H109 PolarHBondContact OD2-NE2 3Å; D63-H109 VanDerWaalsContact OD2-NE2 3.17Å; L105-H109 VanDerWaalsContact O-CB 3.25Å; L105-H109 WeakPolarHBondContact O-CB 3.25Å; L105-H109 PolarHBondContact O-N 3.07Å; F106-H109 PolarHBondContact O-N 3.21Å; H109-A111 PolarHBondContact O-N 3.46Å; H109-F112 PolarHBondContact O-N 3.44Å; H109-M113 VanDerWaalsContact O-CB 3.26Å; H109-M113 WeakPolarHBondContact O-CB 3.29Å; H109-M113 WeakPolarHBondContact O-CG 3.49Å; H109-M113 PolarHBondContact O-N 3.42Å; H109-W148 AromaticContact CE1-CD1 3.79Å; H109-W148 AromaticContact CE1-CE2 3.44Å; H109-W148 VanDerWaalsContact CE1-CE2 3.44Å; H109-W148 AromaticContact CE1-CZ2 3.84Å; H109-W148 AromaticContact CE1-NE1 3.26Å; H109-W148 PolarHBondContact CE1-NE1 3.35Å; H109-W148 VanDerWaalsContact CE1-NE1 3.26Å; H109-W148 AromaticContact ND1-CD2 3.78Å; H109-W148 AromaticContact ND1-CE2 3.66Å; H109-W148 AromaticContact ND1-NE1 3.8Å; H109-S151 WeakPolarHBondContact CA-OG 3.47Å; H109-S151 PolarHBondContact N-OG 3.08Å |
| 110 | V | 95.9 | Very high | 95.1 | Very high | 15 Ų | 15 | 16.1 Ų | 16.1 | 9% | 0.091 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 175.4 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | L64 F106 C107 F108 F112 M113 L114 F295 | L64-V110 HydrophobicContact CD2-CB 4.38Å; L64-V110 HydrophobicContact CD2-CG2 3.83Å; F106-V110 WeakPolarHBondContact O-CG1 3.47Å; F106-V110 PolarHBondContact O-N 2.97Å; C107-V110 WeakPolarHBondContact O-CG1 3.5Å; F108-V110 VanDerWaalsContact C-N 3.34Å; F108-V110 PolarHBondContact O-N 3.22Å; V110-F112 PolarHBondContact O-N 2.94Å; V110-M113 PolarHBondContact O-N 3.42Å; V110-L114 HydrophobicContact CG2-CD1 4Å; V110-L114 HydrophobicContact CG2-CG 4.06Å; V110-L114 WeakPolarHBondContact O-CB 3.26Å; V110-L114 WeakPolarHBondContact O-CG 3.32Å; V110-L114 PolarHBondContact O-N 3.19Å; V110-F295 HydrophobicContact CG1-CD2 4.2Å; V110-F295 HydrophobicContact CG1-CE2 3.46Å; V110-F295 VanDerWaalsContact CG1-CE2 3.46Å; V110-F295 HydrophobicContact CG1-CZ 4.1Å; V110-F295 HydrophobicContact CG2-CD2 4.2Å; V110-F295 HydrophobicContact CG2-CE2 4.26Å |
| 111 | A | 94.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C107 F108 H109 L114 F115 L193 I196 | C107-A111 PolarHBondContact O-N 3.27Å; F108-A111 PolarHBondContact O-N 3.05Å; F108-A111 VanDerWaalsContact O-N 3.14Å; H109-A111 PolarHBondContact O-N 3.46Å; A111-L114 PolarHBondContact O-N 2.93Å; A111-F115 PolarHBondContact O-N 2.99Å; A111-L193 HydrophobicContact CB-CD1 4.02Å; A111-I196 HydrophobicContact CB-CG2 4.04Å |
| 112 | F | 96.6 | Very high | 95 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 10% | 0.096 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.1 | -38 | 177.4 | -76.3 | -57 | 0 | 0 | 0 | 112.6 | F108 H109 V110 F115 C116 V147 L150 M154 I196 | F108-F112 HydrophobicContact CB-CD2 4.09Å; F108-F112 HydrophobicContact CB-CE2 4.12Å; F108-F112 HydrophobicContact CD1-CE2 4.31Å; F108-F112 WeakPolarHBondContact O-CB 3.39Å; F108-F112 VanDerWaalsContact O-CD2 3.26Å; F108-F112 WeakPolarHBondContact O-CD2 3.46Å; F108-F112 PolarHBondContact O-N 2.8Å; H109-F112 PolarHBondContact O-N 3.44Å; V110-F112 PolarHBondContact O-N 2.94Å; F112-F115 WeakPolarHBondContact O-CB 3.45Å; F112-F115 PolarHBondContact O-N 3.47Å; F112-C116 PolarHBondContact O-N 3.43Å; F112-C116 PolarHBondContact O-SG 3.43Å; F112-V147 HydrophobicContact CB-CB 4.42Å; F112-V147 HydrophobicContact CB-CG1 3.56Å; F112-V147 HydrophobicContact CB-CG2 4.23Å; F112-L150 HydrophobicContact CD1-CD1 4.48Å; F112-L150 HydrophobicContact CD2-CB 4.22Å; F112-L150 HydrophobicContact CE1-CD1 4.41Å; F112-L150 HydrophobicContact CE2-CB 4.04Å; F112-L150 HydrophobicContact CZ-CB 4.32Å; F112-M154 HydrophobicContact CE2-CG 4.02Å; F112-M154 HydrophobicContact CZ-CE 4.48Å; F112-M154 HydrophobicContact CZ-CG 4.18Å; F112-I196 HydrophobicContact CD1-CD1 4.05Å; F112-I196 HydrophobicContact CD1-CG1 4.46Å; F112-I196 HydrophobicContact CD1-CG2 4.36Å; F112-I196 HydrophobicContact CE1-CD1 3.36Å; F112-I196 HydrophobicContact CE1-CG1 3.92Å; F112-I196 HydrophobicContact CE2-CD1 4.19Å; F112-I196 HydrophobicContact CZ-CD1 3.44Å; F112-I196 VanDerWaalsContact CZ-CD1 3.44Å; F112-I196 HydrophobicContact CZ-CG1 4.46Å |
| 113 | M | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 175 | -80.1 | -49.6 | -68.6 | 0 | 0 | 111 | F60 D63 L64 H109 V110 F115 C116 V117 I144 V147 | F60-M113 HydrophobicContact CB-CE 3.84Å; F60-M113 HydrophobicContact CD1-CE 3.77Å; F60-M113 HydrophobicContact CG-CE 4.03Å; D63-M113 HydrophobicContact CB-CE 4.39Å; D63-M113 WeakPolarHBondContact OD2-CE 3.39Å; D63-M113 WeakPolarHBondContact OD2-CG 3.41Å; D63-M113 VanDerWaalsContact OD2-SD 3.4Å; L64-M113 HydrophobicContact CD2-CB 3.83Å; L64-M113 HydrophobicContact CD2-CG 4.47Å; L64-M113 HydrophobicContact CG-CB 4.34Å; H109-M113 VanDerWaalsContact O-CB 3.26Å; H109-M113 WeakPolarHBondContact O-CB 3.29Å; H109-M113 WeakPolarHBondContact O-CG 3.49Å; H109-M113 PolarHBondContact O-N 3.42Å; V110-M113 PolarHBondContact O-N 3.42Å; M113-F115 VanDerWaalsContact C-N 3.3Å; M113-F115 PolarHBondContact O-N 3.25Å; M113-C116 PolarHBondContact O-N 3.49Å; M113-V117 WeakPolarHBondContact O-CB 3.43Å; M113-V117 WeakPolarHBondContact O-CG2 3.44Å; M113-V117 PolarHBondContact O-N 3.27Å; M113-I144 HydrophobicContact CE-CG1 4.17Å; M113-V147 HydrophobicContact CB-CG1 4.39Å; M113-V147 HydrophobicContact CG-CB 4.28Å; M113-V147 HydrophobicContact CG-CG1 3.53Å; M113-V147 HydrophobicContact SD-CB 3.54Å; M113-V147 VanDerWaalsContact SD-CB 3.54Å; M113-V147 HydrophobicContact SD-CG1 3.5Å; M113-V147 VanDerWaalsContact SD-CG1 3.5Å; M113-V147 HydrophobicContact SD-CG2 3.6Å; M113-V147 VanDerWaalsContact SD-CG2 3.6Å |
| 114 | L | 95.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 176.7 | -69.5 | -174.4 | 0 | 0 | 0 | 112.2 | L64 V110 A111 S118 I291 T292 F295 | L64-L114 HydrophobicContact CD1-CD2 4Å; L64-L114 HydrophobicContact CD2-CD2 4.44Å; V110-L114 HydrophobicContact CG2-CD1 4Å; V110-L114 HydrophobicContact CG2-CG 4.06Å; V110-L114 WeakPolarHBondContact O-CB 3.26Å; V110-L114 WeakPolarHBondContact O-CG 3.32Å; V110-L114 PolarHBondContact O-N 3.19Å; A111-L114 PolarHBondContact O-N 2.93Å; L114-S118 WeakPolarHBondContact O-CB 3.32Å; L114-S118 PolarHBondContact O-N 3.5Å; L114-I291 HydrophobicContact CD2-CG2 4.1Å; L114-T292 HydrophobicContact CB-CG2 3.86Å; L114-T292 HydrophobicContact CD1-CG2 3.98Å; L114-T292 HydrophobicContact CD2-CG2 3.79Å; L114-T292 HydrophobicContact CG-CG2 4.05Å; L114-F295 HydrophobicContact CD1-CB 3.79Å; L114-F295 HydrophobicContact CD1-CD1 4.15Å; L114-F295 HydrophobicContact CD1-CD2 4.19Å; L114-F295 HydrophobicContact CD1-CG 3.77Å |
| 115 | F | 96.3 | Very high | 94.7 | Very high | 67 Ų | 67 | 16.8 Ų | 16.8 | 29% | 0.294 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -61.5 | -52.7 | 170.7 | 177.2 | -105.6 | 0 | 0 | 0 | 111.6 | A111 F112 M113 V117 S118 V119 I196 T200 V203 | A111-F115 PolarHBondContact O-N 2.99Å; F112-F115 WeakPolarHBondContact O-CB 3.45Å; F112-F115 PolarHBondContact O-N 3.47Å; M113-F115 VanDerWaalsContact C-N 3.3Å; M113-F115 PolarHBondContact O-N 3.25Å; F115-V117 VanDerWaalsContact C-N 3.3Å; F115-V117 PolarHBondContact O-N 3.12Å; F115-S118 WeakPolarHBondContact O-CB 3.39Å; F115-S118 PolarHBondContact O-N 2.98Å; F115-S118 PolarHBondContact O-OG 3.45Å; F115-V119 HydrophobicContact CE1-CG2 4.19Å; F115-V119 HydrophobicContact CE2-CG2 4.24Å; F115-V119 HydrophobicContact CZ-CG2 3.97Å; F115-V119 PolarHBondContact O-N 2.92Å; F115-V119 VanDerWaalsContact O-N 3.08Å; F115-I196 HydrophobicContact CB-CG2 4.4Å; F115-T200 WeakPolarHBondContact CA-OG1 3.3Å; F115-T200 WeakPolarHBondContact CB-OG1 3.49Å; F115-T200 WeakPolarHBondContact CD2-OG1 3.33Å; F115-V203 HydrophobicContact CE2-CG2 4.37Å |
| 116 | C | 96.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 11% | 0.108 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 180 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | F112 M113 V119 T120 V143 V147 | F112-C116 PolarHBondContact O-N 3.43Å; F112-C116 PolarHBondContact O-SG 3.43Å; M113-C116 PolarHBondContact O-N 3.49Å; C116-V119 PolarHBondContact O-N 3.25Å; C116-T120 WeakPolarHBondContact O-CB 3.09Å; C116-T120 PolarHBondContact O-N 3.42Å; C116-T120 PolarHBondContact O-OG1 2.86Å; C116-V143 HydrophobicContact CB-CG1 3.9Å; C116-V147 HydrophobicContact CB-CG2 4.4Å; C116-V147 VanDerWaalsContact SG-CG2 3.54Å |
| 117 | V | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 172.4 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | F60 M113 F115 V119 T120 R121 Y288 | F60-V117 HydrophobicContact CB-CG2 3.63Å; F60-V117 HydrophobicContact CD2-CG2 3.93Å; F60-V117 HydrophobicContact CG-CG2 4.1Å; M113-V117 WeakPolarHBondContact O-CB 3.43Å; M113-V117 WeakPolarHBondContact O-CG2 3.44Å; M113-V117 PolarHBondContact O-N 3.27Å; F115-V117 VanDerWaalsContact C-N 3.3Å; F115-V117 PolarHBondContact O-N 3.12Å; V117-V119 PolarHBondContact O-N 3.08Å; V117-T120 WeakPolarHBondContact O-CB 3.14Å; V117-T120 PolarHBondContact O-N 3.36Å; V117-R121 HydrophobicContact CG1-CG 4.14Å; V117-R121 WeakPolarHBondContact O-CB 3.21Å; V117-R121 VanDerWaalsContact O-CG 3.29Å; V117-R121 WeakPolarHBondContact O-CG 3.42Å; V117-R121 PolarHBondContact O-N 3.38Å; V117-Y288 HydrophobicContact CG1-CD1 3.4Å; V117-Y288 VanDerWaalsContact CG1-CD1 3.4Å; V117-Y288 HydrophobicContact CG1-CD2 4.19Å; V117-Y288 HydrophobicContact CG1-CE1 3.93Å; V117-Y288 HydrophobicContact CG1-CG 3.55Å |
| 118 | S | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 178.9 | 81.2 | 0 | 0 | 0 | 0 | 112.3 | L114 F115 R121 Y122 V203 Y204 | L114-S118 WeakPolarHBondContact O-CB 3.32Å; L114-S118 PolarHBondContact O-N 3.5Å; F115-S118 WeakPolarHBondContact O-CB 3.39Å; F115-S118 PolarHBondContact O-N 2.98Å; F115-S118 PolarHBondContact O-OG 3.45Å; S118-R121 PolarHBondContact O-N 3.38Å; S118-Y122 WeakPolarHBondContact O-CB 3.42Å; S118-Y122 PolarHBondContact O-N 2.99Å; S118-V203 WeakPolarHBondContact OG-CG1 3.46Å; S118-Y204 VanDerWaalsContact CB-CZ 3.49Å |
| 119 | V | 95 | Very high | 93.3 | Very high | 53 Ų | 53 | 34.1 Ų | 34.1 | 32% | 0.321 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.7 | 175 | 0 | 0 | 0 | 0 | 110 | F115 C116 V117 R121 Y122 M123 V203 | F115-V119 HydrophobicContact CE1-CG2 4.19Å; F115-V119 HydrophobicContact CE2-CG2 4.24Å; F115-V119 HydrophobicContact CZ-CG2 3.97Å; F115-V119 PolarHBondContact O-N 2.92Å; F115-V119 VanDerWaalsContact O-N 3.08Å; C116-V119 PolarHBondContact O-N 3.25Å; V117-V119 PolarHBondContact O-N 3.08Å; V119-R121 VanDerWaalsContact C-N 3.34Å; V119-R121 PolarHBondContact O-N 3.47Å; V119-Y122 PolarHBondContact O-N 3.24Å; V119-M123 HydrophobicContact CG1-CG 4.3Å; V119-M123 VanDerWaalsContact O-CG 3.25Å; V119-M123 WeakPolarHBondContact O-CG 3.38Å; V119-M123 PolarHBondContact O-N 3.35Å; V119-V203 HydrophobicContact CG2-CG1 4.41Å |
| 120 | T | 93.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -45 | 177.8 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | F60 C116 V117 M123 A124 Y131 M135 | F60-T120 HydrophobicContact CD2-CG2 4.41Å; F60-T120 HydrophobicContact CE2-CG2 3.77Å; F60-T120 WeakPolarHBondContact CE2-OG1 3.28Å; C116-T120 WeakPolarHBondContact O-CB 3.09Å; C116-T120 PolarHBondContact O-N 3.42Å; C116-T120 PolarHBondContact O-OG1 2.86Å; V117-T120 WeakPolarHBondContact O-CB 3.14Å; V117-T120 PolarHBondContact O-N 3.36Å; T120-M123 PolarHBondContact O-N 3.04Å; T120-A124 WeakPolarHBondContact O-CB 3.44Å; T120-A124 PolarHBondContact O-N 2.82Å; T120-Y131 HydrophobicContact CG2-CE2 3.74Å; T120-M135 HydrophobicContact CG2-CE 3.98Å |
| 121 | R | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 178.4 | -67.7 | -54.8 | 85.3 | -158 | -2.5 | 111.5 | V117 S118 V119 A124 I125 Y131 M207 E281 Y288 | V117-R121 HydrophobicContact CG1-CG 4.14Å; V117-R121 WeakPolarHBondContact O-CB 3.21Å; V117-R121 VanDerWaalsContact O-CG 3.29Å; V117-R121 WeakPolarHBondContact O-CG 3.42Å; V117-R121 PolarHBondContact O-N 3.38Å; S118-R121 PolarHBondContact O-N 3.38Å; V119-R121 VanDerWaalsContact C-N 3.34Å; V119-R121 PolarHBondContact O-N 3.47Å; R121-A124 PolarHBondContact O-N 3.4Å; R121-I125 WeakPolarHBondContact O-CG1 3.35Å; R121-I125 PolarHBondContact O-N 3.21Å; R121-Y131 PolarHBondContact NH2-OH 3.1Å; R121-M207 HydrophobicContact CB-SD 3.85Å; R121-E281 IonicContact CZ-OE2 3.69Å; R121-E281 IonicContact NH1-OE2 3.77Å; R121-E281 PolarHBondContact NH1-OE2 3.41Å; R121-Y288 HydrophobicContact CG-CD2 4.11Å; R121-Y288 HydrophobicContact CG-CG 4.5Å |
| 122 | Y | 92.9 | Very high | 92.1 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 26% | 0.263 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 172.9 | 176.8 | -103 | 0 | 0 | 0 | 111.4 | S118 V119 A124 I125 A126 M207 | S118-Y122 WeakPolarHBondContact O-CB 3.42Å; S118-Y122 PolarHBondContact O-N 2.99Å; V119-Y122 PolarHBondContact O-N 3.24Å; Y122-A124 PolarHBondContact O-N 3.37Å; Y122-I125 PolarHBondContact O-N 2.92Å; Y122-A126 HydrophobicContact CD2-CB 4.33Å; Y122-A126 HydrophobicContact CE1-CB 4.27Å; Y122-A126 HydrophobicContact CE2-CB 3.93Å; Y122-A126 WeakPolarHBondContact O-CB 3.09Å; Y122-A126 PolarHBondContact O-N 2.98Å; Y122-M207 HydrophobicContact CD2-CB 3.98Å; Y122-M207 HydrophobicContact CD2-CG 4.47Å |
| 123 | M | 92.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 51 Ų | 51 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -37.9 | 178.9 | -65.6 | -60.2 | -74.5 | 0 | 0 | 112.7 | V119 T120 I125 H127 H128 F130 | V119-M123 HydrophobicContact CG1-CG 4.3Å; V119-M123 VanDerWaalsContact O-CG 3.25Å; V119-M123 WeakPolarHBondContact O-CG 3.38Å; V119-M123 PolarHBondContact O-N 3.35Å; T120-M123 PolarHBondContact O-N 3.04Å; M123-I125 VanDerWaalsContact C-N 3.3Å; M123-I125 PolarHBondContact O-N 2.96Å; M123-H127 HydrophobicContact CE-CB 4.19Å; M123-H127 CarbonylContact O-C 3.03Å; M123-H127 VanDerWaalsContact O-CA 3.29Å; M123-H127 WeakPolarHBondContact O-CA 3.46Å; M123-H127 PolarHBondContact O-N 3.32Å; M123-H128 PolarHBondContact O-N 2.97Å; M123-F130 HydrophobicContact CE-CD1 3.44Å; M123-F130 VanDerWaalsContact CE-CD1 3.44Å; M123-F130 HydrophobicContact CE-CE1 3.65Å; M123-F130 HydrophobicContact CE-CG 4.34Å |
| 124 | A | 90.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T120 R121 Y122 H128 Y131 | T120-A124 WeakPolarHBondContact O-CB 3.44Å; T120-A124 PolarHBondContact O-N 2.82Å; R121-A124 PolarHBondContact O-N 3.4Å; Y122-A124 PolarHBondContact O-N 3.37Å; A124-H128 WeakPolarHBondContact O-CA 3.41Å; A124-H128 WeakPolarHBondContact O-CB 3.23Å; A124-Y131 HydrophobicContact CB-CD1 4.06Å; A124-Y131 HydrophobicContact CB-CD2 3.76Å; A124-Y131 HydrophobicContact CB-CE1 4.07Å; A124-Y131 HydrophobicContact CB-CE2 3.76Å; A124-Y131 HydrophobicContact CB-CG 3.91Å |
| 125 | I | 89.8 | Confident | 91.1 | Very high | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -88.3 | -48.3 | -176.9 | -64.5 | 173.2 | 0 | 0 | 0 | 111.6 | R121 Y122 M123 M207 F210 V211 F278 E281 | R121-I125 WeakPolarHBondContact O-CG1 3.35Å; R121-I125 PolarHBondContact O-N 3.21Å; Y122-I125 PolarHBondContact O-N 2.92Å; M123-I125 VanDerWaalsContact C-N 3.3Å; M123-I125 PolarHBondContact O-N 2.96Å; I125-M207 HydrophobicContact CD1-CG 4.04Å; I125-M207 HydrophobicContact CD1-SD 3.83Å; I125-F210 HydrophobicContact CG2-CD1 3.99Å; I125-F210 HydrophobicContact CG2-CE1 4.03Å; I125-V211 HydrophobicContact CD1-CG2 4.36Å; I125-V211 HydrophobicContact CG2-CG2 3.65Å; I125-F278 HydrophobicContact CG2-CE2 4.08Å; I125-F278 HydrophobicContact CG2-CZ 4.45Å; I125-E281 HydrophobicContact CG1-CB 4.48Å |
| 126 | A | 89.1 | Confident | 90.9 | Very high | 20 Ų | 20 | 60.8 Ų | 60.8 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -82 | -34.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y122 F210 | Y122-A126 HydrophobicContact CD2-CB 4.33Å; Y122-A126 HydrophobicContact CE1-CB 4.27Å; Y122-A126 HydrophobicContact CE2-CB 3.93Å; Y122-A126 WeakPolarHBondContact O-CB 3.09Å; Y122-A126 PolarHBondContact O-N 2.98Å; A126-F210 HydrophobicContact CB-CD1 4.19Å; A126-F210 HydrophobicContact CB-CD2 4.3Å; A126-F210 HydrophobicContact CB-CE1 3.92Å; A126-F210 HydrophobicContact CB-CE2 4.01Å; A126-F210 HydrophobicContact CB-CG 4.38Å; A126-F210 HydrophobicContact CB-CZ 3.82Å |
| 127 | H | 88.7 | Confident | 90.6 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -129.4 | 50.2 | -174.7 | -62.4 | -63.7 | 0 | 0 | 0 | 111.8 | M123 R129 F130 Y131 | M123-H127 HydrophobicContact CE-CB 4.19Å; M123-H127 CarbonylContact O-C 3.03Å; M123-H127 VanDerWaalsContact O-CA 3.29Å; M123-H127 WeakPolarHBondContact O-CA 3.46Å; M123-H127 PolarHBondContact O-N 3.32Å; H127-R129 VanDerWaalsContact C-N 3.29Å; H127-R129 PolarHBondContact O-N 3.45Å; H127-R129 VanDerWaalsContact O-N 3.12Å; H127-F130 HydrophobicContact CB-CB 4.22Å; H127-F130 WeakPolarHBondContact O-CB 3.25Å; H127-F130 PolarHBondContact O-N 3.05Å; H127-Y131 PolarHBondContact O-N 3.37Å | ||
| 128 | H | 86 | Confident | 90.5 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -49.9 | -42.5 | -174.3 | -177.6 | 72.4 | 0 | 0 | 0 | 114.2 | M123 A124 F130 Y131 S132 E277 | M123-H128 PolarHBondContact O-N 2.97Å; A124-H128 WeakPolarHBondContact O-CA 3.41Å; A124-H128 WeakPolarHBondContact O-CB 3.23Å; H128-F130 VanDerWaalsContact C-N 3.35Å; H128-F130 PolarHBondContact O-N 3.24Å; H128-Y131 PolarHBondContact O-N 2.9Å; H128-S132 WeakPolarHBondContact O-CB 3.47Å; H128-S132 PolarHBondContact O-N 2.99Å; H128-E277 IonicContact CE1-OE1 3.62Å |
| 129 | R | 85.3 | Confident | 90.4 | Very high | 218 Ų | 218 | 77 Ų | 77 | 82% | 0.823 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 177.8 | -69.8 | -171.8 | -70.7 | 175.4 | -2.5 | 113.1 | H127 K133 | H127-R129 VanDerWaalsContact C-N 3.29Å; H127-R129 PolarHBondContact O-N 3.45Å; H127-R129 VanDerWaalsContact O-N 3.12Å; R129-K133 PolarHBondContact O-N 3.11Å |
| 130 | F | 88.3 | Confident | 90.4 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.5 | -45.1 | 177.1 | 179.3 | -92.1 | 0 | 0 | 0 | 110.3 | M123 H127 H128 K133 R134 | M123-F130 HydrophobicContact CE-CD1 3.44Å; M123-F130 VanDerWaalsContact CE-CD1 3.44Å; M123-F130 HydrophobicContact CE-CE1 3.65Å; M123-F130 HydrophobicContact CE-CG 4.34Å; H127-F130 HydrophobicContact CB-CB 4.22Å; H127-F130 WeakPolarHBondContact O-CB 3.25Å; H127-F130 PolarHBondContact O-N 3.05Å; H128-F130 VanDerWaalsContact C-N 3.35Å; H128-F130 PolarHBondContact O-N 3.24Å; F130-K133 PolarHBondContact O-N 3.03Å; F130-R134 HydrophobicContact CD1-CB 4.46Å; F130-R134 HydrophobicContact CD1-CG 4.22Å; F130-R134 HydrophobicContact CD2-CG 4.09Å; F130-R134 HydrophobicContact CE1-CB 4.21Å; F130-R134 HydrophobicContact CE1-CG 3.94Å; F130-R134 HydrophobicContact CE2-CG 3.8Å; F130-R134 HydrophobicContact CG-CG 4.31Å; F130-R134 HydrophobicContact CZ-CB 4.44Å; F130-R134 HydrophobicContact CZ-CG 3.73Å; F130-R134 VanDerWaalsContact O-CB 3.3Å; F130-R134 WeakPolarHBondContact O-CB 3.49Å; F130-R134 WeakPolarHBondContact O-CG 3.37Å; F130-R134 PolarHBondContact O-N 3.28Å |
| 131 | Y | 89.8 | Confident | 90.5 | Very high | 23 Ų | 23 | 77.3 Ų | 77.3 | 9% | 0.09 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.3 | -52.1 | 176.9 | 173.9 | -91 | 0 | 0 | 0 | 111.8 | T120 R121 A124 H127 H128 K133 R134 M135 | T120-Y131 HydrophobicContact CG2-CE2 3.74Å; R121-Y131 PolarHBondContact NH2-OH 3.1Å; A124-Y131 HydrophobicContact CB-CD1 4.06Å; A124-Y131 HydrophobicContact CB-CD2 3.76Å; A124-Y131 HydrophobicContact CB-CE1 4.07Å; A124-Y131 HydrophobicContact CB-CE2 3.76Å; A124-Y131 HydrophobicContact CB-CG 3.91Å; H127-Y131 PolarHBondContact O-N 3.37Å; H128-Y131 PolarHBondContact O-N 2.9Å; Y131-K133 VanDerWaalsContact C-N 3.27Å; Y131-K133 PolarHBondContact O-N 3.05Å; Y131-R134 PolarHBondContact O-N 2.99Å; Y131-M135 HydrophobicContact CD2-CB 4.17Å; Y131-M135 HydrophobicContact CD2-CG 3.53Å; Y131-M135 HydrophobicContact CE2-CB 3.99Å; Y131-M135 HydrophobicContact CE2-CG 3.5Å; Y131-M135 VanDerWaalsContact CE2-CG 3.5Å; Y131-M135 HydrophobicContact CG-CG 4.26Å; Y131-M135 WeakPolarHBondContact O-CB 3.49Å; Y131-M135 PolarHBondContact O-N 3.18Å |
| 132 | S | 86.1 | Confident | 90.6 | Very high | 81 Ų | 81 | 80 Ų | 80 | 57% | 0.566 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.3 | -35.5 | -178.7 | 173.9 | 0 | 0 | 0 | 0 | 112.9 | H128 | H128-S132 WeakPolarHBondContact O-CB 3.47Å; H128-S132 PolarHBondContact O-N 2.99Å |
| 133 | K | 88.3 | Confident | 90.8 | Very high | 181 Ų | 181 | 78.1 Ų | 78.1 | 79% | 0.787 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -80.2 | -31.3 | 177.9 | -72.5 | -171.4 | 175 | -170.3 | 0 | 114.2 | R129 F130 Y131 | R129-K133 PolarHBondContact O-N 3.11Å; F130-K133 PolarHBondContact O-N 3.03Å; Y131-K133 VanDerWaalsContact C-N 3.27Å; Y131-K133 PolarHBondContact O-N 3.05Å |
| 134 | R | 89.3 | Confident | 91 | Very high | 163 Ų | 163 | 77.4 Ų | 77.4 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -100.8 | -27.9 | -170.1 | -70 | -73.6 | -168.2 | 163.7 | 0.8 | 113.8 | F130 Y131 T136 T139 | F130-R134 HydrophobicContact CD1-CB 4.46Å; F130-R134 HydrophobicContact CD1-CG 4.22Å; F130-R134 HydrophobicContact CD2-CG 4.09Å; F130-R134 HydrophobicContact CE1-CB 4.21Å; F130-R134 HydrophobicContact CE1-CG 3.94Å; F130-R134 HydrophobicContact CE2-CG 3.8Å; F130-R134 HydrophobicContact CG-CG 4.31Å; F130-R134 HydrophobicContact CZ-CB 4.44Å; F130-R134 HydrophobicContact CZ-CG 3.73Å; F130-R134 VanDerWaalsContact O-CB 3.3Å; F130-R134 WeakPolarHBondContact O-CB 3.49Å; F130-R134 WeakPolarHBondContact O-CG 3.37Å; F130-R134 PolarHBondContact O-N 3.28Å; Y131-R134 PolarHBondContact O-N 2.99Å; R134-T136 PolarHBondContact O-N 2.71Å; R134-T136 VanDerWaalsContact O-N 3.07Å; R134-T139 PolarHBondContact O-OG1 3.35Å |
| 135 | M | 89.3 | Confident | 91.4 | Very high | 50 Ų | 50 | 80.6 Ų | 80.6 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | trans | -83.3 | 89 | -178.6 | -79.5 | -72.3 | -179.1 | 0 | 0 | 110.7 | A56 T120 Y131 T139 | A56-M135 HydrophobicContact CB-CB 4.48Å; T120-M135 HydrophobicContact CG2-CE 3.98Å; Y131-M135 HydrophobicContact CD2-CB 4.17Å; Y131-M135 HydrophobicContact CD2-CG 3.53Å; Y131-M135 HydrophobicContact CE2-CB 3.99Å; Y131-M135 HydrophobicContact CE2-CG 3.5Å; Y131-M135 VanDerWaalsContact CE2-CG 3.5Å; Y131-M135 HydrophobicContact CG-CG 4.26Å; Y131-M135 WeakPolarHBondContact O-CB 3.49Å; Y131-M135 PolarHBondContact O-N 3.18Å; M135-T139 HydrophobicContact SD-CG2 4.09Å | ||
| 136 | T | 92.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 83.9 Ų | 83.9 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | trans | -100.3 | 168.6 | 171.5 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | R134 W138 T139 C140 | R134-T136 PolarHBondContact O-N 2.71Å; R134-T136 VanDerWaalsContact O-N 3.07Å; T136-W138 VanDerWaalsContact C-N 3.29Å; T136-W138 PolarHBondContact O-N 3.36Å; T136-T139 WeakPolarHBondContact O-CB 3.27Å; T136-T139 PolarHBondContact O-N 2.97Å; T136-T139 PolarHBondContact OG1-N 3.15Å; T136-T139 PolarHBondContact OG1-OG1 2.86Å; T136-C140 PolarHBondContact O-N 3.2Å; T136-C140 PolarHBondContact O-SG 2.94Å | ||
| 137 | L | 90.6 | Very high | 92.2 | Very high | 99 Ų | 99 | 82.9 Ų | 82.9 | 52% | 0.518 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.3 | -45.3 | 173.3 | 179.1 | 64.3 | 0 | 0 | 0 | 111.5 | F59 T139 C140 V141 | F59-L137 HydrophobicContact CD2-CD1 4.11Å; F59-L137 HydrophobicContact CE1-CD1 4.28Å; F59-L137 HydrophobicContact CE2-CD1 3.64Å; F59-L137 HydrophobicContact CZ-CD1 3.74Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.39Å; L137-C140 WeakPolarHBondContact O-CB 3.46Å; L137-C140 PolarHBondContact O-N 3.25Å; L137-V141 WeakPolarHBondContact O-CG2 3.28Å; L137-V141 PolarHBondContact O-N 3.34Å |
| 138 | W | 93.4 | Very high | 92.6 | Very high | 206 Ų | 206 | 81.7 Ų | 81.7 | 78% | 0.78 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.8 | -37.7 | 178.4 | -65.3 | 110.4 | 0 | 0 | 0 | 112.8 | T136 C140 V141 A142 | T136-W138 VanDerWaalsContact C-N 3.29Å; T136-W138 PolarHBondContact O-N 3.36Å; W138-C140 VanDerWaalsContact C-N 3.33Å; W138-V141 PolarHBondContact O-N 2.9Å; W138-A142 VanDerWaalsContact O-CB 3.3Å; W138-A142 WeakPolarHBondContact O-CB 3.38Å; W138-A142 PolarHBondContact O-N 3.35Å |
| 139 | T | 93.9 | Very high | 93.1 | Very high | 50 Ų | 50 | 82.7 Ų | 82.7 | 31% | 0.307 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 173.4 | -48 | 0 | 0 | 0 | 0 | 111.2 | R134 M135 T136 L137 A142 V143 | R134-T139 PolarHBondContact O-OG1 3.35Å; M135-T139 HydrophobicContact SD-CG2 4.09Å; T136-T139 WeakPolarHBondContact O-CB 3.27Å; T136-T139 PolarHBondContact O-N 2.97Å; T136-T139 PolarHBondContact OG1-N 3.15Å; T136-T139 PolarHBondContact OG1-OG1 2.86Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.39Å; T139-A142 PolarHBondContact O-N 3.27Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.48Å; T139-V143 PolarHBondContact O-N 3.47Å |
| 140 | C | 94.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.02 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | A56 F60 T136 L137 W138 A142 V143 I144 | A56-C140 WeakPolarHBondContact CB-SG 3.45Å; F60-C140 HydrophobicContact CE1-CB 3.99Å; F60-C140 HydrophobicContact CZ-CB 4.33Å; T136-C140 PolarHBondContact O-N 3.2Å; T136-C140 PolarHBondContact O-SG 2.94Å; L137-C140 WeakPolarHBondContact O-CB 3.46Å; L137-C140 PolarHBondContact O-N 3.25Å; W138-C140 VanDerWaalsContact C-N 3.33Å; C140-A142 VanDerWaalsContact C-N 3.35Å; C140-A142 PolarHBondContact O-N 3.49Å; C140-V143 PolarHBondContact O-N 3.45Å; C140-I144 WeakPolarHBondContact O-CG1 3.39Å; C140-I144 PolarHBondContact O-N 3.03Å |
| 141 | V | 95.3 | Very high | 94.1 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | L137 W138 V143 I144 C145 | L137-V141 WeakPolarHBondContact O-CG2 3.28Å; L137-V141 PolarHBondContact O-N 3.34Å; W138-V141 PolarHBondContact O-N 2.9Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.45Å; V141-I144 PolarHBondContact O-N 3.42Å; V141-C145 WeakPolarHBondContact O-CB 3.28Å; V141-C145 PolarHBondContact O-N 2.9Å; V141-C145 PolarHBondContact O-SG 3.38Å |
| 142 | A | 96.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 49% | 0.488 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W138 T139 C140 M146 | W138-A142 VanDerWaalsContact O-CB 3.3Å; W138-A142 WeakPolarHBondContact O-CB 3.38Å; W138-A142 PolarHBondContact O-N 3.35Å; T139-A142 PolarHBondContact O-N 3.27Å; C140-A142 VanDerWaalsContact C-N 3.35Å; C140-A142 PolarHBondContact O-N 3.49Å; A142-M146 VanDerWaalsContact O-CB 3.3Å; A142-M146 WeakPolarHBondContact O-CB 3.5Å; A142-M146 PolarHBondContact O-N 2.97Å |
| 143 | V | 96.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.9 | 170 | 0 | 0 | 0 | 0 | 111 | F60 C116 T139 C140 V141 M146 V147 | F60-V143 HydrophobicContact CE1-CB 4.11Å; F60-V143 HydrophobicContact CE1-CG1 3.94Å; F60-V143 HydrophobicContact CZ-CB 4.19Å; F60-V143 HydrophobicContact CZ-CG1 3.97Å; C116-V143 HydrophobicContact CB-CG1 3.9Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.48Å; T139-V143 PolarHBondContact O-N 3.47Å; C140-V143 PolarHBondContact O-N 3.45Å; V141-V143 VanDerWaalsContact C-N 3.34Å; V141-V143 PolarHBondContact O-N 3.45Å; V143-M146 PolarHBondContact O-N 2.87Å; V143-V147 WeakPolarHBondContact O-CG2 3.43Å; V143-V147 PolarHBondContact O-N 2.91Å |
| 144 | I | 97.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 177.7 | -69.1 | 164.8 | 0 | 0 | 0 | 110.3 | F60 D63 M113 C140 V141 M146 V147 W148 | F60-I144 HydrophobicContact CD1-CD1 4.18Å; F60-I144 HydrophobicContact CD1-CG1 3.98Å; F60-I144 HydrophobicContact CE1-CD1 4.46Å; F60-I144 HydrophobicContact CE1-CG1 4.14Å; D63-I144 HydrophobicContact CB-CD1 4.15Å; D63-I144 HydrophobicContact CB-CG1 4.34Å; D63-I144 WeakPolarHBondContact OD1-CG2 3.44Å; M113-I144 HydrophobicContact CE-CG1 4.17Å; C140-I144 WeakPolarHBondContact O-CG1 3.39Å; C140-I144 PolarHBondContact O-N 3.03Å; V141-I144 PolarHBondContact O-N 3.42Å; I144-M146 VanDerWaalsContact C-N 3.3Å; I144-M146 PolarHBondContact O-N 3.48Å; I144-V147 PolarHBondContact O-N 2.92Å; I144-V147 VanDerWaalsContact O-N 3.09Å; I144-W148 VanDerWaalsContact O-CD1 3.26Å; I144-W148 PolarHBondContact O-N 3.29Å |
| 145 | C | 97.8 | Very high | 94.9 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 177.1 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | V141 V147 W148 T149 | V141-C145 WeakPolarHBondContact O-CB 3.28Å; V141-C145 PolarHBondContact O-N 2.9Å; V141-C145 PolarHBondContact O-SG 3.38Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 3.31Å; C145-W148 PolarHBondContact O-N 2.94Å; C145-T149 WeakPolarHBondContact O-CG2 3.38Å; C145-T149 PolarHBondContact O-N 3.23Å; C145-T149 PolarHBondContact O-OG1 3.36Å |
| 146 | M | 97.6 | Very high | 94.9 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 39% | 0.389 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.9 | 176.8 | -88.5 | -72.1 | 0 | 0 | 111.9 | A142 V143 I144 T149 L150 | A142-M146 VanDerWaalsContact O-CB 3.3Å; A142-M146 WeakPolarHBondContact O-CB 3.5Å; A142-M146 PolarHBondContact O-N 2.97Å; V143-M146 PolarHBondContact O-N 2.87Å; I144-M146 VanDerWaalsContact C-N 3.3Å; I144-M146 PolarHBondContact O-N 3.48Å; M146-T149 WeakPolarHBondContact CA-OG1 3.47Å; M146-T149 PolarHBondContact O-N 3.22Å; M146-T149 PolarHBondContact O-OG1 3.47Å; M146-L150 HydrophobicContact CG-CD1 4.35Å; M146-L150 WeakPolarHBondContact O-CB 3.39Å; M146-L150 WeakPolarHBondContact O-CG 3.34Å; M146-L150 PolarHBondContact O-N 2.86Å; M146-L150 HydrophobicContact SD-CD1 3.38Å; M146-L150 WeakPolarHBondContact SD-CD1 3.35Å; M146-L150 HydrophobicContact SD-CG 4.13Å |
| 147 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -43 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | F112 M113 C116 V143 I144 C145 T149 L150 S151 | F112-V147 HydrophobicContact CB-CB 4.42Å; F112-V147 HydrophobicContact CB-CG1 3.56Å; F112-V147 HydrophobicContact CB-CG2 4.23Å; M113-V147 HydrophobicContact CB-CG1 4.39Å; M113-V147 HydrophobicContact CG-CB 4.28Å; M113-V147 HydrophobicContact CG-CG1 3.53Å; M113-V147 HydrophobicContact SD-CB 3.54Å; M113-V147 VanDerWaalsContact SD-CB 3.54Å; M113-V147 HydrophobicContact SD-CG1 3.5Å; M113-V147 VanDerWaalsContact SD-CG1 3.5Å; M113-V147 HydrophobicContact SD-CG2 3.6Å; M113-V147 VanDerWaalsContact SD-CG2 3.6Å; C116-V147 HydrophobicContact CB-CG2 4.4Å; C116-V147 VanDerWaalsContact SG-CG2 3.54Å; V143-V147 WeakPolarHBondContact O-CG2 3.43Å; V143-V147 PolarHBondContact O-N 2.91Å; I144-V147 PolarHBondContact O-N 2.92Å; I144-V147 VanDerWaalsContact O-N 3.09Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 3.31Å; V147-T149 VanDerWaalsContact C-N 3.35Å; V147-T149 PolarHBondContact O-N 3.47Å; V147-L150 PolarHBondContact O-N 2.87Å; V147-S151 WeakPolarHBondContact O-CB 3.2Å; V147-S151 PolarHBondContact O-N 2.85Å; V147-S151 PolarHBondContact O-OG 2.94Å |
| 148 | W | 98 | Very high | 94.4 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 27% | 0.269 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 174.2 | -82.5 | 99.4 | 0 | 0 | 0 | 112.1 | D63 L105 F106 H109 I144 C145 S151 V152 | D63-W148 PolarHBondContact OD1-NE1 3.24Å; L105-W148 HydrophobicContact CD2-CZ3 4.21Å; F106-W148 AromaticContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CH2 3.89Å; F106-W148 HydrophobicContact CE1-CZ3 4.44Å; H109-W148 AromaticContact CE1-CD1 3.79Å; H109-W148 AromaticContact CE1-CE2 3.44Å; H109-W148 VanDerWaalsContact CE1-CE2 3.44Å; H109-W148 AromaticContact CE1-CZ2 3.84Å; H109-W148 AromaticContact CE1-NE1 3.26Å; H109-W148 PolarHBondContact CE1-NE1 3.35Å; H109-W148 VanDerWaalsContact CE1-NE1 3.26Å; H109-W148 AromaticContact ND1-CD2 3.78Å; H109-W148 AromaticContact ND1-CE2 3.66Å; H109-W148 AromaticContact ND1-NE1 3.8Å; I144-W148 VanDerWaalsContact O-CD1 3.26Å; I144-W148 PolarHBondContact O-N 3.29Å; C145-W148 PolarHBondContact O-N 2.94Å; W148-S151 PolarHBondContact O-N 3.31Å; W148-V152 WeakPolarHBondContact O-CG2 3.25Å; W148-V152 PolarHBondContact O-N 2.68Å |
| 149 | T | 97.6 | Very high | 94 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 179.5 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | C145 M146 V147 S151 V152 A153 | C145-T149 WeakPolarHBondContact O-CG2 3.38Å; C145-T149 PolarHBondContact O-N 3.23Å; C145-T149 PolarHBondContact O-OG1 3.36Å; M146-T149 WeakPolarHBondContact CA-OG1 3.47Å; M146-T149 PolarHBondContact O-N 3.22Å; M146-T149 PolarHBondContact O-OG1 3.47Å; V147-T149 VanDerWaalsContact C-N 3.35Å; V147-T149 PolarHBondContact O-N 3.47Å; T149-S151 VanDerWaalsContact C-N 3.3Å; T149-S151 PolarHBondContact O-N 2.95Å; T149-V152 PolarHBondContact O-N 3.3Å; T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 2.95Å |
| 150 | L | 96 | Very high | 93.4 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 34% | 0.335 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 174.4 | -72.8 | -179.7 | 0 | 0 | 0 | 111.8 | F112 M146 V147 A153 M154 | F112-L150 HydrophobicContact CD1-CD1 4.48Å; F112-L150 HydrophobicContact CD2-CB 4.22Å; F112-L150 HydrophobicContact CE1-CD1 4.41Å; F112-L150 HydrophobicContact CE2-CB 4.04Å; F112-L150 HydrophobicContact CZ-CB 4.32Å; M146-L150 HydrophobicContact CG-CD1 4.35Å; M146-L150 WeakPolarHBondContact O-CB 3.39Å; M146-L150 WeakPolarHBondContact O-CG 3.34Å; M146-L150 PolarHBondContact O-N 2.86Å; M146-L150 HydrophobicContact SD-CD1 3.38Å; M146-L150 WeakPolarHBondContact SD-CD1 3.35Å; M146-L150 HydrophobicContact SD-CG 4.13Å; V147-L150 PolarHBondContact O-N 2.87Å; L150-A153 PolarHBondContact O-N 2.89Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.29Å; L150-M154 PolarHBondContact O-N 3.1Å |
| 151 | S | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | H109 V147 W148 T149 M154 A155 | H109-S151 WeakPolarHBondContact CA-OG 3.47Å; H109-S151 PolarHBondContact N-OG 3.08Å; V147-S151 WeakPolarHBondContact O-CB 3.2Å; V147-S151 PolarHBondContact O-N 2.85Å; V147-S151 PolarHBondContact O-OG 2.94Å; W148-S151 PolarHBondContact O-N 3.31Å; T149-S151 VanDerWaalsContact C-N 3.3Å; T149-S151 PolarHBondContact O-N 2.95Å; S151-M154 PolarHBondContact O-N 3.39Å; S151-A155 WeakPolarHBondContact O-CB 3.36Å; S151-A155 PolarHBondContact O-N 3.26Å |
| 152 | V | 95.7 | Very high | 91.2 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 35% | 0.352 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 173.1 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | L105 W148 T149 M154 A155 F156 | L105-V152 HydrophobicContact CD1-CB 4.3Å; L105-V152 HydrophobicContact CD1-CG2 3.59Å; W148-V152 WeakPolarHBondContact O-CG2 3.25Å; W148-V152 PolarHBondContact O-N 2.68Å; T149-V152 PolarHBondContact O-N 3.3Å; V152-M154 PolarHBondContact O-N 3Å; V152-A155 PolarHBondContact O-N 2.87Å; V152-A155 VanDerWaalsContact O-N 3.13Å; V152-F156 VanDerWaalsContact O-CB 3.24Å; V152-F156 WeakPolarHBondContact O-CB 3.33Å; V152-F156 PolarHBondContact O-N 2.98Å |
| 153 | A | 93.8 | Very high | 89.8 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.2 | -33.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | T149 L150 P157 | T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 2.95Å; L150-A153 PolarHBondContact O-N 2.89Å; A153-P157 WeakPolarHBondContact O-CD 3.3Å |
| 154 | M | 90.3 | Very high | 89 | Confident | 60 Ų | 60 | 57.3 Ų | 57.3 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -83 | -31.4 | 176.9 | -64.5 | -50.7 | 179.9 | 0 | 0 | 114.1 | F108 F112 L150 S151 V152 M192 | F108-M154 HydrophobicContact CD1-CB 4.47Å; F108-M154 HydrophobicContact CD2-CB 3.86Å; F108-M154 HydrophobicContact CE2-CB 3.9Å; F108-M154 HydrophobicContact CG-CB 4.12Å; F108-M154 HydrophobicContact CZ-CB 4.29Å; F112-M154 HydrophobicContact CE2-CG 4.02Å; F112-M154 HydrophobicContact CZ-CE 4.48Å; F112-M154 HydrophobicContact CZ-CG 4.18Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.29Å; L150-M154 PolarHBondContact O-N 3.1Å; S151-M154 PolarHBondContact O-N 3.39Å; V152-M154 PolarHBondContact O-N 3Å; M154-M192 HydrophobicContact CB-CE 3.79Å; M154-M192 HydrophobicContact CE-CE 4.05Å; M154-M192 HydrophobicContact CE-SD 3.27Å; M154-M192 WeakPolarHBondContact CE-SD 3.27Å; M154-M192 HydrophobicContact CG-CE 3.42Å; M154-M192 VanDerWaalsContact CG-CE 3.42Å; M154-M192 HydrophobicContact CG-SD 4Å; M154-M192 HydrophobicContact SD-CE 3.36Å; M154-M192 WeakPolarHBondContact SD-CE 3.46Å; M154-M192 HydrophobicContact SD-SD 3.31Å |
| 155 | A | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -80.8 | -20.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F101 V104 L105 S151 V152 P158 Y165 | F101-A155 HydrophobicContact CD2-CB 3.89Å; F101-A155 WeakPolarHBondContact CD2-O 3.3Å; F101-A155 HydrophobicContact CE2-CB 3.59Å; F101-A155 HydrophobicContact CZ-CB 4.32Å; V104-A155 HydrophobicContact CB-CB 4.48Å; V104-A155 HydrophobicContact CG1-CB 3.79Å; L105-A155 HydrophobicContact CB-CB 4.06Å; L105-A155 HydrophobicContact CD1-CB 4.44Å; S151-A155 WeakPolarHBondContact O-CB 3.36Å; S151-A155 PolarHBondContact O-N 3.26Å; V152-A155 PolarHBondContact O-N 2.87Å; V152-A155 VanDerWaalsContact O-N 3.13Å; A155-P158 WeakPolarHBondContact O-CD 3.39Å; A155-Y165 PolarHBondContact O-OH 3.43Å |
| 156 | F | 90.3 | Very high | 88.1 | Confident | 96 Ų | 96 | 56 Ų | 56 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -77.5 | -38.6 | -171.4 | -162 | -116.7 | 0 | 0 | 0 | 115.8 | F101 V152 V159 F160 | F101-F156 HydrophobicContact CE2-CD2 4.29Å; V152-F156 VanDerWaalsContact O-CB 3.24Å; V152-F156 WeakPolarHBondContact O-CB 3.33Å; V152-F156 PolarHBondContact O-N 2.98Å; F156-V159 HydrophobicContact CD2-CG2 4.3Å; F156-V159 WeakPolarHBondContact O-CB 3.42Å; F156-V159 WeakPolarHBondContact O-CG2 3.48Å; F156-V159 PolarHBondContact O-N 2.89Å; F156-F160 HydrophobicContact CD1-CD2 4.41Å; F156-F160 AromaticContact CD1-CE2 3.43Å; F156-F160 HydrophobicContact CD1-CE2 3.43Å; F156-F160 VanDerWaalsContact CD1-CE2 3.43Å; F156-F160 AromaticContact CD1-CZ 3.96Å; F156-F160 HydrophobicContact CD1-CZ 3.96Å; F156-F160 HydrophobicContact CE1-CD2 4.36Å; F156-F160 HydrophobicContact CE1-CE1 4.38Å; F156-F160 AromaticContact CE1-CE2 3.12Å; F156-F160 HydrophobicContact CE1-CE2 3.12Å; F156-F160 AromaticContact CE1-CZ 3.14Å; F156-F160 HydrophobicContact CE1-CZ 3.14Å; F156-F160 HydrophobicContact CG-CE2 4.37Å; F156-F160 HydrophobicContact CZ-CE1 4.4Å; F156-F160 AromaticContact CZ-CE2 3.83Å; F156-F160 HydrophobicContact CZ-CE2 3.83Å; F156-F160 AromaticContact CZ-CZ 3.46Å; F156-F160 HydrophobicContact CZ-CZ 3.46Å; F156-F160 VanDerWaalsContact CZ-CZ 3.46Å |
| 157 | P | 87.1 | Confident | 87.7 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 47% | 0.468 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.2 | -44.5 | -176.3 | -24.9 | 32.1 | 0 | 0 | 0 | 114.2 | A153 V159 F160 | A153-P157 WeakPolarHBondContact O-CD 3.3Å; P157-V159 PolarHBondContact O-N 2.99Å; P157-F160 PolarHBondContact O-N 2.95Å |
| 158 | P | 84.7 | Confident | 87.2 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.8 | -8.3 | 178.3 | -18.9 | 32 | 0 | 0 | 0 | 114.8 | A155 F160 T164 Y165 F176 | A155-P158 WeakPolarHBondContact O-CD 3.39Å; P158-F160 VanDerWaalsContact C-N 3.34Å; P158-T164 PolarHBondContact O-OG1 2.9Å; P158-Y165 HydrophobicContact CB-CD2 4.17Å; P158-Y165 HydrophobicContact CB-CE1 4.09Å; P158-Y165 HydrophobicContact CB-CE2 3.66Å; P158-Y165 HydrophobicContact CG-CE2 4.48Å; P158-Y165 WeakPolarHBondContact O-CD2 3.32Å; P158-F176 HydrophobicContact CB-CD2 3.75Å; P158-F176 HydrophobicContact CB-CE2 3.71Å; P158-F176 HydrophobicContact CG-CD2 3.92Å; P158-F176 HydrophobicContact CG-CE2 3.76Å |
| 159 | V | 85.8 | Confident | 86.6 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | F101 F156 P157 Y165 | F101-V159 HydrophobicContact CD2-CG2 3.7Å; F101-V159 HydrophobicContact CE2-CG2 4.36Å; F101-V159 HydrophobicContact CG-CG2 4.41Å; F156-V159 HydrophobicContact CD2-CG2 4.3Å; F156-V159 WeakPolarHBondContact O-CB 3.42Å; F156-V159 WeakPolarHBondContact O-CG2 3.48Å; F156-V159 PolarHBondContact O-N 2.89Å; P157-V159 PolarHBondContact O-N 2.99Å; V159-Y165 HydrophobicContact CB-CE2 4.47Å; V159-Y165 HydrophobicContact CG2-CD2 4.26Å; V159-Y165 HydrophobicContact CG2-CE2 3.67Å |
| 160 | F | 81.3 | Confident | 85.9 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 62% | 0.618 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -79.4 | -29.7 | -174.9 | -65.5 | -65.8 | 0 | 0 | 0 | 113.5 | F156 P157 P158 | F156-F160 HydrophobicContact CD1-CD2 4.41Å; F156-F160 AromaticContact CD1-CE2 3.43Å; F156-F160 HydrophobicContact CD1-CE2 3.43Å; F156-F160 VanDerWaalsContact CD1-CE2 3.43Å; F156-F160 AromaticContact CD1-CZ 3.96Å; F156-F160 HydrophobicContact CD1-CZ 3.96Å; F156-F160 HydrophobicContact CE1-CD2 4.36Å; F156-F160 HydrophobicContact CE1-CE1 4.38Å; F156-F160 AromaticContact CE1-CE2 3.12Å; F156-F160 HydrophobicContact CE1-CE2 3.12Å; F156-F160 AromaticContact CE1-CZ 3.14Å; F156-F160 HydrophobicContact CE1-CZ 3.14Å; F156-F160 HydrophobicContact CG-CE2 4.37Å; F156-F160 HydrophobicContact CZ-CE1 4.4Å; F156-F160 AromaticContact CZ-CE2 3.83Å; F156-F160 HydrophobicContact CZ-CE2 3.83Å; F156-F160 AromaticContact CZ-CZ 3.46Å; F156-F160 HydrophobicContact CZ-CZ 3.46Å; F156-F160 VanDerWaalsContact CZ-CZ 3.46Å; P157-F160 PolarHBondContact O-N 2.95Å; P158-F160 VanDerWaalsContact C-N 3.34Å |
| 161 | D | 76.1 | Confident | 85.4 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -78.7 | 138.1 | 179.1 | -72.6 | -47.2 | 0 | 0 | 0 | 112.4 | G163 T164 | D161-G163 PolarHBondContact O-N 3.33Å; D161-T164 HydrophobicContact CB-CG2 3.58Å; D161-T164 PolarHBondContact O-OG1 2.99Å; D161-T164 VanDerWaalsContact O-OG1 3.13Å |
| 162 | V | 67.4 | Low | 84.9 | Confident | 137 Ų | 137 | 54.9 Ų | 54.9 | 83% | 0.83 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 113.8 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 163 | G | 67.1 | Low | 84.6 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | 10.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D161 R179 | D161-G163 PolarHBondContact O-N 3.33Å; G163-R179 PolarHBondContact O-NH2 3.39Å |
| 164 | T | 80 | Confident | 84.3 | Confident | 23 Ų | 23 | 50 Ų | 50 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -78.4 | -52.4 | 169.2 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | P158 D161 F176 E177 | P158-T164 PolarHBondContact O-OG1 2.9Å; D161-T164 HydrophobicContact CB-CG2 3.58Å; D161-T164 PolarHBondContact O-OG1 2.99Å; D161-T164 VanDerWaalsContact O-OG1 3.13Å; T164-F176 HydrophobicContact CG2-CE2 4.11Å; T164-E177 PolarHBondContact O-N 3.04Å |
| 165 | Y | 87.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.6 | 171.1 | -71.5 | -43.5 | 0 | 0 | 0 | 110.6 | A100 F101 V104 A155 P158 V159 F176 | A100-Y165 HydrophobicContact CB-CD1 3.44Å; A100-Y165 VanDerWaalsContact CB-CD1 3.44Å; A100-Y165 HydrophobicContact CB-CE1 4.1Å; A100-Y165 HydrophobicContact CB-CG 3.76Å; F101-Y165 HydrophobicContact CB-CE2 4.23Å; V104-Y165 HydrophobicContact CG2-CE1 3.94Å; A155-Y165 PolarHBondContact O-OH 3.43Å; P158-Y165 HydrophobicContact CB-CD2 4.17Å; P158-Y165 HydrophobicContact CB-CE1 4.09Å; P158-Y165 HydrophobicContact CB-CE2 3.66Å; P158-Y165 HydrophobicContact CG-CE2 4.48Å; P158-Y165 WeakPolarHBondContact O-CD2 3.32Å; V159-Y165 HydrophobicContact CB-CE2 4.47Å; V159-Y165 HydrophobicContact CG2-CD2 4.26Å; V159-Y165 HydrophobicContact CG2-CE2 3.67Å; Y165-F176 HydrophobicContact CD1-CB 4.2Å; Y165-F176 HydrophobicContact CD1-CD2 4.42Å; Y165-F176 HydrophobicContact CE1-CB 3.98Å; Y165-F176 HydrophobicContact CE1-CD2 4.22Å |
| 166 | K | 87.7 | Confident | 83.8 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 165.4 | 180 | 73.1 | -177.6 | -162.5 | -179.7 | 0 | 111.9 | I168 I175 E177 | K166-I168 HydrophobicContact CG-CG1 4.41Å; K166-I175 PolarHBondContact N-O 2.84Å; K166-I175 PolarHBondContact O-N 3.43Å; K166-I175 VanDerWaalsContact O-N 3.09Å; K166-I175 VanDerWaalsContact O-O 3.07Å; K166-E177 HydrophobicContact CD-CB 4.14Å; K166-E177 HydrophobicContact CD-CG 4.34Å; K166-E177 WeakPolarHBondContact CD-OE2 3.37Å; K166-E177 WeakPolarHBondContact CE-OE1 3.36Å; K166-E177 WeakPolarHBondContact CE-OE2 3.39Å; K166-E177 HydrophobicContact CG-CB 4.19Å; K166-E177 IonicContact NZ-OE1 3.05Å; K166-E177 PolarHBondContact NZ-OE1 2.93Å; K166-E177 IonicContact NZ-OE2 2.74Å; K166-E177 PolarHBondContact NZ-OE2 3.41Å |
| 167 | F | 88.8 | Confident | 83.4 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 11% | 0.114 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 125 | 172.4 | -175.6 | -102.3 | 0 | 0 | 0 | 109.8 | S82 S87 W89 H169 | S82-F167 WeakPolarHBondContact OG-CE2 3.48Å; S82-F167 WeakPolarHBondContact OG-CZ 3.17Å; S87-F167 WeakPolarHBondContact O-CE1 3.49Å; W89-F167 HydrophobicContact CB-CB 4.17Å; W89-F167 HydrophobicContact CB-CD1 4.03Å; W89-F167 HydrophobicContact CB-CD2 4.01Å; W89-F167 HydrophobicContact CB-CE1 4.47Å; W89-F167 HydrophobicContact CB-CE2 4.46Å; W89-F167 HydrophobicContact CB-CG 3.77Å; W89-F167 HydrophobicContact CD2-CD2 4.26Å; W89-F167 AromaticContact CE3-CD2 3.83Å; W89-F167 HydrophobicContact CE3-CD2 3.83Å; W89-F167 HydrophobicContact CE3-CE2 4.09Å; W89-F167 HydrophobicContact CG-CB 4.48Å; W89-F167 HydrophobicContact CG-CD2 4.37Å; W89-F167 HydrophobicContact CG-CG 4.38Å; F167-H169 AromaticContact CD1-CE1 3.8Å; F167-H169 AromaticContact CD1-ND1 3.82Å; F167-H169 HydrophobicContact CE1-CB 4.46Å; F167-H169 AromaticContact CE1-CE1 3.78Å; F167-H169 AromaticContact CE1-CG 3.94Å; F167-H169 AromaticContact CE1-ND1 3.4Å; F167-H169 WeakPolarHBondContact CE1-ND1 3.43Å |
| 168 | I | 87.5 | Confident | 82.8 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.5 | 177 | -57.1 | -175.6 | 0 | 0 | 0 | 107.9 | K166 E170 E171 E172 Q173 I175 | K166-I168 HydrophobicContact CG-CG1 4.41Å; I168-E170 HydrophobicContact CG2-CB 4.26Å; I168-E170 PolarHBondContact O-N 3.48Å; I168-E171 HydrophobicContact CB-CB 4.3Å; I168-E171 HydrophobicContact CB-CG 4.42Å; I168-E171 HydrophobicContact CG2-CB 4.2Å; I168-E171 HydrophobicContact CG2-CG 3.92Å; I168-E171 PolarHBondContact O-N 2.9Å; I168-E171 VanDerWaalsContact O-N 3.11Å; I168-E172 PolarHBondContact O-N 3.35Å; I168-Q173 PolarHBondContact N-O 2.97Å; I168-I175 HydrophobicContact CD1-CG2 3.45Å; I168-I175 VanDerWaalsContact CD1-CG2 3.45Å; I168-I175 HydrophobicContact CG1-CG2 4Å |
| 169 | H | 85.6 | Confident | 82.1 | Confident | 125 Ų | 125 | 48 Ų | 48 | 58% | 0.579 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.1 | -177 | -68.2 | -77.8 | 0 | 0 | 0 | 113.3 | S87 F167 E171 E172 | S87-H169 PolarHBondContact O-ND1 3.12Å; F167-H169 AromaticContact CD1-CE1 3.8Å; F167-H169 AromaticContact CD1-ND1 3.82Å; F167-H169 HydrophobicContact CE1-CB 4.46Å; F167-H169 AromaticContact CE1-CE1 3.78Å; F167-H169 AromaticContact CE1-CG 3.94Å; F167-H169 AromaticContact CE1-ND1 3.4Å; F167-H169 WeakPolarHBondContact CE1-ND1 3.43Å; H169-E171 VanDerWaalsContact C-N 3.3Å; H169-E171 PolarHBondContact O-N 3.16Å; H169-E172 PolarHBondContact O-N 3.15Å |
| 170 | E | 84.1 | Confident | 81.1 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26.3 | -179.6 | -53.2 | 179 | 150.1 | 0 | 0 | 112.9 | I168 R309 Q319 L322 | I168-E170 HydrophobicContact CG2-CB 4.26Å; I168-E170 PolarHBondContact O-N 3.48Å; E170-R309 IonicContact OE2-CZ 2.85Å; E170-R309 IonicContact OE2-NH2 3.39Å; E170-R309 PolarHBondContact OE2-NH2 3.06Å; E170-Q319 PolarHBondContact OE1-NE2 2.96Å; E170-L322 HydrophobicContact CB-CD2 3.5Å |
| 171 | E | 83.9 | Confident | 80.1 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -6.9 | 179.6 | -59.7 | -177.9 | -150 | 0 | 0 | 112.6 | I168 H169 Q173 Y302 R309 L322 V326 | I168-E171 HydrophobicContact CB-CB 4.3Å; I168-E171 HydrophobicContact CB-CG 4.42Å; I168-E171 HydrophobicContact CG2-CB 4.2Å; I168-E171 HydrophobicContact CG2-CG 3.92Å; I168-E171 PolarHBondContact O-N 2.9Å; I168-E171 VanDerWaalsContact O-N 3.11Å; H169-E171 VanDerWaalsContact C-N 3.3Å; H169-E171 PolarHBondContact O-N 3.16Å; E171-Q173 HydrophobicContact CB-CG 3.82Å; E171-Q173 PolarHBondContact O-N 3.28Å; E171-Q173 VanDerWaalsContact O-N 3.1Å; E171-Q173 PolarHBondContact OE2-NE2 2.7Å; E171-Y302 PolarHBondContact OE2-OH 3.47Å; E171-R309 IonicContact OE1-CZ 3.05Å; E171-R309 IonicContact OE1-NH1 3.17Å; E171-R309 PolarHBondContact OE1-NH1 3.23Å; E171-L322 HydrophobicContact CG-CD1 4.23Å; E171-L322 HydrophobicContact CG-CD2 3.95Å; E171-L322 HydrophobicContact CG-CG 4.21Å; E171-V326 HydrophobicContact CB-CG2 4.18Å; E171-V326 HydrophobicContact CG-CG2 3.98Å |
| 172 | E | 85.9 | Confident | 79.1 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 24.8 | 178.8 | -54.5 | 175.6 | 147.9 | 0 | 0 | 113.4 | K25 S82 I83 S87 I168 H169 | K25-E172 WeakPolarHBondContact CD-OE2 3.22Å; K25-E172 IonicContact NZ-OE1 3.79Å; K25-E172 PolarHBondContact NZ-OE1 2.8Å; K25-E172 IonicContact NZ-OE2 2.6Å; K25-E172 PolarHBondContact NZ-OE2 2.98Å; S82-E172 WeakPolarHBondContact CB-O 3.42Å; S82-E172 PolarHBondContact OG-O 3.46Å; I83-E172 HydrophobicContact CG1-CB 4.17Å; S87-E172 WeakPolarHBondContact OG-CG 3.23Å; S87-E172 PolarHBondContact OG-OE1 3.32Å; I168-E172 PolarHBondContact O-N 3.35Å; H169-E172 PolarHBondContact O-N 3.15Å |
| 173 | Q | 89.4 | Confident | 78.7 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.5 | -176.4 | 66.6 | -176.8 | -23.2 | 0 | 0 | 112.8 | V79 I168 E171 I175 | V79-Q173 HydrophobicContact CG2-CB 3.91Å; I168-Q173 PolarHBondContact N-O 2.97Å; E171-Q173 HydrophobicContact CB-CG 3.82Å; E171-Q173 PolarHBondContact O-N 3.28Å; E171-Q173 VanDerWaalsContact O-N 3.1Å; E171-Q173 PolarHBondContact OE2-NE2 2.7Å; Q173-I175 HydrophobicContact CG-CB 4.27Å; Q173-I175 HydrophobicContact CG-CG2 4.23Å |
| 174 | C | 88.9 | Confident | 78.3 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.4 | 168.1 | -72.9 | 0 | 0 | 0 | 0 | 109.1 | C96 A100 | C96-C174 WeakPolarHBondContact CA-SG 3.31Å; C96-C174 HydrophobicContact CB-CB 4.11Å; C96-C174 WeakPolarHBondContact CB-SG 3.03Å; C96-C174 WeakPolarHBondContact O-CB 3.21Å; C96-C174 WeakPolarHBondContact SG-CB 3.37Å; C96-C174 CovalentContact SG-SG 2.04Å; C96-C174 PolarHBondContact SG-SG 2.97Å; A100-C174 VanDerWaalsContact CA-O 3.29Å; A100-C174 WeakPolarHBondContact CA-O 3.46Å; A100-C174 HydrophobicContact CB-CB 4.15Å; A100-C174 WeakPolarHBondContact CB-O 3.37Å |
| 175 | I | 87.5 | Confident | 77.7 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 175.1 | -177.3 | -164.9 | 153.3 | 0 | 0 | 0 | 110.8 | K166 I168 Q173 E177 Y302 | K166-I175 PolarHBondContact N-O 2.84Å; K166-I175 PolarHBondContact O-N 3.43Å; K166-I175 VanDerWaalsContact O-N 3.09Å; K166-I175 VanDerWaalsContact O-O 3.07Å; I168-I175 HydrophobicContact CD1-CG2 3.45Å; I168-I175 VanDerWaalsContact CD1-CG2 3.45Å; I168-I175 HydrophobicContact CG1-CG2 4Å; Q173-I175 HydrophobicContact CG-CB 4.27Å; Q173-I175 HydrophobicContact CG-CG2 4.23Å; I175-E177 PolarHBondContact O-N 2.85Å; I175-Y302 WeakPolarHBondContact CD1-OH 3.36Å |
| 176 | F | 83.8 | Confident | 77 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 124.5 | 172.1 | -177 | -107.2 | 0 | 0 | 0 | 110.9 | V104 P158 T164 Y165 H178 T186 | V104-F176 HydrophobicContact CG2-CB 4.3Å; P158-F176 HydrophobicContact CB-CD2 3.75Å; P158-F176 HydrophobicContact CB-CE2 3.71Å; P158-F176 HydrophobicContact CG-CD2 3.92Å; P158-F176 HydrophobicContact CG-CE2 3.76Å; T164-F176 HydrophobicContact CG2-CE2 4.11Å; Y165-F176 HydrophobicContact CD1-CB 4.2Å; Y165-F176 HydrophobicContact CD1-CD2 4.42Å; Y165-F176 HydrophobicContact CE1-CB 3.98Å; Y165-F176 HydrophobicContact CE1-CD2 4.22Å; F176-H178 PolarHBondContact O-CE1 2.89Å; F176-H178 PolarHBondContact O-N 3.47Å; F176-H178 PolarHBondContact O-ND1 3.16Å; F176-T186 HydrophobicContact CE1-CG2 3.69Å; F176-T186 HydrophobicContact CZ-CG2 3.61Å |
| 177 | E | 81 | Confident | 76.5 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -73.4 | 117.1 | 175.3 | -176.5 | -175.8 | -163.2 | 0 | 0 | 111.1 | T164 K166 I175 R179 | T164-E177 PolarHBondContact O-N 3.04Å; K166-E177 HydrophobicContact CD-CB 4.14Å; K166-E177 HydrophobicContact CD-CG 4.34Å; K166-E177 WeakPolarHBondContact CD-OE2 3.37Å; K166-E177 WeakPolarHBondContact CE-OE1 3.36Å; K166-E177 WeakPolarHBondContact CE-OE2 3.39Å; K166-E177 HydrophobicContact CG-CB 4.19Å; K166-E177 IonicContact NZ-OE1 3.05Å; K166-E177 PolarHBondContact NZ-OE1 2.93Å; K166-E177 IonicContact NZ-OE2 2.74Å; K166-E177 PolarHBondContact NZ-OE2 3.41Å; I175-E177 PolarHBondContact O-N 2.85Å; E177-R179 VanDerWaalsContact CD-NE 3.35Å; E177-R179 HydrophobicContact CG-CG 3.8Å; E177-R179 PolarHBondContact O-N 3.37Å; E177-R179 VanDerWaalsContact O-N 3.15Å; E177-R179 IonicContact OE1-NE 2.83Å; E177-R179 IonicContact OE2-CZ 2.77Å; E177-R179 IonicContact OE2-NE 3.78Å; E177-R179 PolarHBondContact OE2-NE 2.9Å; E177-R179 IonicContact OE2-NH2 3.85Å; E177-R179 PolarHBondContact OE2-NH2 3.37Å | ||
| 178 | H | 74.5 | Confident | 76 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | trans | -79.7 | 93.8 | 170.5 | -56.1 | 90.1 | 0 | 0 | 0 | 109.8 | F176 C306 R309 V310 | F176-H178 PolarHBondContact O-CE1 2.89Å; F176-H178 PolarHBondContact O-N 3.47Å; F176-H178 PolarHBondContact O-ND1 3.16Å; H178-C306 PolarHBondContact CE1-SG 3.09Å; H178-R309 HydrophobicContact CB-CB 4.37Å; H178-V310 HydrophobicContact CB-CG2 4.29Å | ||
| 179 | R | 69.3 | Low | 75.7 | Confident | 111 Ų | 111 | 58.1 Ų | 58.1 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | trans | -83.5 | 153 | 174.8 | -65.1 | -173.6 | -179.1 | 179.7 | 4.2 | 111.6 | G163 E177 T186 | G163-R179 PolarHBondContact O-NH2 3.39Å; E177-R179 VanDerWaalsContact CD-NE 3.35Å; E177-R179 HydrophobicContact CG-CG 3.8Å; E177-R179 PolarHBondContact O-N 3.37Å; E177-R179 VanDerWaalsContact O-N 3.15Å; E177-R179 IonicContact OE1-NE 2.83Å; E177-R179 IonicContact OE2-CZ 2.77Å; E177-R179 IonicContact OE2-NE 3.78Å; E177-R179 PolarHBondContact OE2-NE 2.9Å; E177-R179 IonicContact OE2-NH2 3.85Å; E177-R179 PolarHBondContact OE2-NH2 3.37Å; R179-T186 HydrophobicContact CB-CG2 4.4Å; R179-T186 PolarHBondContact O-OG1 3.4Å | ||
| 180 | Y | 66.1 | Low | 75.5 | Confident | 108 Ų | 108 | 52.4 Ų | 52.4 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | trans | -58.2 | 145.2 | 173.9 | -179.1 | -100.6 | 0 | 0 | 0 | 111.4 | K182 V310 K313 | Y180-K182 PolarHBondContact O-N 3.48Å; Y180-V310 VanDerWaalsContact CD2-O 3.24Å; Y180-V310 WeakPolarHBondContact CD2-O 3.21Å; Y180-K313 HydrophobicContact CD2-CB 3.91Å; Y180-K313 HydrophobicContact CD2-CG 4.37Å; Y180-K313 HydrophobicContact CE2-CB 3.58Å; Y180-K313 HydrophobicContact CE2-CG 4.33Å | ||
| 181 | V | 60.3 | Low | 75.6 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -32.5 | -20.5 | -171.2 | -172 | 0 | 0 | 0 | 0 | 118.4 | A183 V310 F311 | V181-A183 PolarHBondContact O-N 3.12Å; V181-A183 VanDerWaalsContact O-N 3.13Å; V181-V310 HydrophobicContact CG2-CG1 4.07Å; V181-V310 WeakPolarHBondContact CG2-O 3.27Å; V181-V310 PolarHBondContact N-O 3.11Å; V181-F311 HydrophobicContact CG2-CD1 4.4Å |
| 182 | K | 55.3 | Low | 75.8 | Confident | 202 Ų | 202 | 54.1 Ų | 54.1 | 88% | 0.878 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.2 | -176.8 | -129.3 | 179.8 | -177.4 | -174.9 | 0 | 115 | Y180 | Y180-K182 PolarHBondContact O-N 3.48Š|
| 183 | A | 57.4 | Low | 75.9 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -110.5 | 108.7 | 167 | 0 | 0 | 0 | 0 | 0 | 108.6 | V181 D185 | V181-A183 PolarHBondContact O-N 3.12Å; V181-A183 VanDerWaalsContact O-N 3.13Å; A183-D185 PolarHBondContact O-N 2.63Å |
| 184 | N | 59.4 | Low | 75.9 | Confident | 140 Ų | 140 | 54.9 Ų | 54.9 | 75% | 0.749 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.8 | -12.2 | -170.9 | -77.5 | -12.5 | 0 | 0 | 0 | 114.8 | ||
| 185 | D | 67.6 | Low | 76.1 | Confident | 109 Ų | 109 | 59 Ų | 59 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -84.9 | -27.6 | -167.6 | -48.3 | -48 | 0 | 0 | 0 | 114.1 | A183 | A183-D185 PolarHBondContact O-N 2.63Å |
| 186 | T | 73.6 | Confident | 76.4 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.4 | -35.4 | -176.1 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | F176 R179 M190 | F176-T186 HydrophobicContact CE1-CG2 3.69Å; F176-T186 HydrophobicContact CZ-CG2 3.61Å; R179-T186 HydrophobicContact CB-CG2 4.4Å; R179-T186 PolarHBondContact O-OG1 3.4Å; T186-M190 WeakPolarHBondContact O-CG 3.26Å; T186-M190 PolarHBondContact O-N 3.35Å |
| 187 | L | 76.4 | Confident | 76.7 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | -178.2 | 178.5 | 133.6 | 0 | 0 | 0 | 111.5 | F189 M190 L191 V310 F311 | L187-F189 VanDerWaalsContact C-N 3.34Å; L187-F189 PolarHBondContact O-N 3.35Å; L187-M190 PolarHBondContact O-N 3.03Å; L187-L191 HydrophobicContact CD2-CD1 3.46Å; L187-L191 VanDerWaalsContact CD2-CD1 3.46Å; L187-L191 HydrophobicContact CD2-CG 4.29Å; L187-L191 HydrophobicContact CG-CD1 4Å; L187-L191 HydrophobicContact CG-CG 4.32Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.28Å; L187-L191 PolarHBondContact O-N 3.28Å; L187-V310 HydrophobicContact CD1-CG1 4.33Å; L187-F311 HydrophobicContact CD1-CE1 4.1Å; L187-F311 HydrophobicContact CD1-CZ 4.14Å |
| 188 | G | 79.6 | Confident | 77.3 | Confident | 40 Ų | 40 | 59 Ų | 59 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L191 M192 | G188-L191 PolarHBondContact O-N 2.95Å; G188-M192 VanDerWaalsContact O-CB 3.28Å; G188-M192 WeakPolarHBondContact O-CB 3.49Å; G188-M192 PolarHBondContact O-N 3.48Å |
| 189 | F | 80.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.9 | -172.2 | -82.3 | 0 | 0 | 0 | 112.7 | V104 F108 L187 M192 L193 | V104-F189 HydrophobicContact CB-CZ 4.5Å; V104-F189 HydrophobicContact CG1-CE2 3.79Å; V104-F189 HydrophobicContact CG1-CZ 3.48Å; V104-F189 VanDerWaalsContact CG1-CZ 3.48Å; V104-F189 HydrophobicContact CG2-CZ 4.23Å; F108-F189 HydrophobicContact CD2-CE2 4.39Å; F108-F189 HydrophobicContact CD2-CZ 4.24Å; F108-F189 AromaticContact CE2-CD2 3.91Å; F108-F189 HydrophobicContact CE2-CD2 3.91Å; F108-F189 AromaticContact CE2-CE1 3.83Å; F108-F189 HydrophobicContact CE2-CE1 3.83Å; F108-F189 AromaticContact CE2-CE2 3.13Å; F108-F189 HydrophobicContact CE2-CE2 3.13Å; F108-F189 AromaticContact CE2-CZ 3.08Å; F108-F189 HydrophobicContact CE2-CZ 3.08Å; F108-F189 AromaticContact CZ-CD1 3.94Å; F108-F189 HydrophobicContact CZ-CD1 3.94Å; F108-F189 AromaticContact CZ-CD2 3.73Å; F108-F189 HydrophobicContact CZ-CD2 3.73Å; F108-F189 AromaticContact CZ-CE1 3.54Å; F108-F189 HydrophobicContact CZ-CE1 3.54Å; F108-F189 AromaticContact CZ-CE2 3.39Å; F108-F189 HydrophobicContact CZ-CE2 3.39Å; F108-F189 HydrophobicContact CZ-CG 4.03Å; F108-F189 AromaticContact CZ-CZ 3.29Å; F108-F189 HydrophobicContact CZ-CZ 3.29Å; L187-F189 VanDerWaalsContact C-N 3.34Å; L187-F189 PolarHBondContact O-N 3.35Å; F189-M192 PolarHBondContact O-N 3.41Å; F189-L193 PolarHBondContact O-N 3.04Å; F189-L193 VanDerWaalsContact O-N 3.09Å |
| 190 | M | 81.8 | Confident | 79.5 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 179.2 | -71.5 | -61.2 | -60.1 | 0 | 0 | 112.3 | T186 L187 M192 L193 A194 I303 C306 Y307 | T186-M190 WeakPolarHBondContact O-CG 3.26Å; T186-M190 PolarHBondContact O-N 3.35Å; L187-M190 PolarHBondContact O-N 3.03Å; M190-M192 VanDerWaalsContact C-N 3.31Å; M190-M192 PolarHBondContact O-N 2.92Å; M190-L193 PolarHBondContact O-N 3.01Å; M190-A194 PolarHBondContact O-N 2.65Å; M190-I303 HydrophobicContact CE-CG2 4.26Å; M190-C306 HydrophobicContact CE-CB 3.31Å; M190-C306 HydrophobicContact SD-CB 3.85Å; M190-Y307 HydrophobicContact CB-CE1 4.13Å; M190-Y307 HydrophobicContact CE-CD2 4.12Å; M190-Y307 HydrophobicContact CE-CE2 4.03Å; M190-Y307 HydrophobicContact CE-CG 4.5Å; M190-Y307 PolarHBondContact O-OH 2.68Å |
| 191 | L | 85.4 | Confident | 80.7 | Confident | 80 Ų | 80 | 52.2 Ų | 52.2 | 42% | 0.419 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.4 | -75.4 | 179 | 0 | 0 | 0 | 111.6 | L187 G188 A194 V195 | L187-L191 HydrophobicContact CD2-CD1 3.46Å; L187-L191 VanDerWaalsContact CD2-CD1 3.46Å; L187-L191 HydrophobicContact CD2-CG 4.29Å; L187-L191 HydrophobicContact CG-CD1 4Å; L187-L191 HydrophobicContact CG-CG 4.32Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.28Å; L187-L191 PolarHBondContact O-N 3.28Å; G188-L191 PolarHBondContact O-N 2.95Å; L191-A194 PolarHBondContact O-N 3.02Å; L191-V195 WeakPolarHBondContact O-CB 3.41Å; L191-V195 VanDerWaalsContact O-CG2 3.26Å; L191-V195 WeakPolarHBondContact O-CG2 3.35Å; L191-V195 PolarHBondContact O-N 3.27Å |
| 192 | M | 88.3 | Confident | 82.3 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.6 | -178.2 | -178.7 | 75.9 | 0 | 0 | 111.9 | F108 M154 G188 F189 M190 A194 V195 I196 | F108-M192 HydrophobicContact CD1-CE 4.09Å; F108-M192 HydrophobicContact CE1-CE 3.31Å; F108-M192 HydrophobicContact CE2-CE 4.39Å; F108-M192 HydrophobicContact CZ-CE 3.5Å; F108-M192 VanDerWaalsContact CZ-CE 3.5Å; M154-M192 HydrophobicContact CB-CE 3.79Å; M154-M192 HydrophobicContact CE-CE 4.05Å; M154-M192 HydrophobicContact CE-SD 3.27Å; M154-M192 WeakPolarHBondContact CE-SD 3.27Å; M154-M192 HydrophobicContact CG-CE 3.42Å; M154-M192 VanDerWaalsContact CG-CE 3.42Å; M154-M192 HydrophobicContact CG-SD 4Å; M154-M192 HydrophobicContact SD-CE 3.36Å; M154-M192 WeakPolarHBondContact SD-CE 3.46Å; M154-M192 HydrophobicContact SD-SD 3.31Å; G188-M192 VanDerWaalsContact O-CB 3.28Å; G188-M192 WeakPolarHBondContact O-CB 3.49Å; G188-M192 PolarHBondContact O-N 3.48Å; F189-M192 PolarHBondContact O-N 3.41Å; M190-M192 VanDerWaalsContact C-N 3.31Å; M190-M192 PolarHBondContact O-N 2.92Å; M192-A194 VanDerWaalsContact C-N 3.32Å; M192-A194 PolarHBondContact O-N 3.33Å; M192-V195 PolarHBondContact O-N 3.45Å; M192-I196 HydrophobicContact CG-CD1 3.89Å; M192-I196 WeakPolarHBondContact O-CD1 3.45Å; M192-I196 VanDerWaalsContact O-CG1 3.29Å; M192-I196 WeakPolarHBondContact O-CG1 3.38Å; M192-I196 PolarHBondContact O-N 2.87Å |
| 193 | L | 88.1 | Confident | 84.3 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.2 | -175.8 | 65.3 | 0 | 0 | 0 | 111.2 | F108 A111 F189 M190 V195 I196 V197 | F108-L193 HydrophobicContact CD1-CD1 4.28Å; F108-L193 HydrophobicContact CE1-CB 4.28Å; F108-L193 HydrophobicContact CE1-CD1 4.15Å; A111-L193 HydrophobicContact CB-CD1 4.02Å; F189-L193 PolarHBondContact O-N 3.04Å; F189-L193 VanDerWaalsContact O-N 3.09Å; M190-L193 PolarHBondContact O-N 3.01Å; L193-V195 PolarHBondContact O-N 3.47Å; L193-I196 PolarHBondContact O-N 3.24Å; L193-V197 HydrophobicContact CD1-CG2 4.49Å; L193-V197 WeakPolarHBondContact O-CB 3.39Å; L193-V197 WeakPolarHBondContact O-CG2 3.49Å; L193-V197 PolarHBondContact O-N 2.97Å |
| 194 | A | 89.8 | Confident | 85.9 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M190 L191 M192 G198 Y307 | M190-A194 PolarHBondContact O-N 2.65Å; L191-A194 PolarHBondContact O-N 3.02Å; M192-A194 VanDerWaalsContact C-N 3.32Å; M192-A194 PolarHBondContact O-N 3.33Å; A194-G198 WeakPolarHBondContact O-CA 3.5Å; A194-G198 PolarHBondContact O-N 3.21Å; A194-Y307 WeakPolarHBondContact CB-OH 3.45Å |
| 195 | V | 92.4 | Very high | 87.5 | Confident | 89 Ų | 89 | 41.8 Ų | 41.8 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.6 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | L191 M192 L193 G198 T199 | L191-V195 WeakPolarHBondContact O-CB 3.41Å; L191-V195 VanDerWaalsContact O-CG2 3.26Å; L191-V195 WeakPolarHBondContact O-CG2 3.35Å; L191-V195 PolarHBondContact O-N 3.27Å; M192-V195 PolarHBondContact O-N 3.45Å; L193-V195 PolarHBondContact O-N 3.47Å; V195-G198 PolarHBondContact O-N 3.05Å; V195-T199 HydrophobicContact CG1-CG2 4.19Å; V195-T199 VanDerWaalsContact O-CB 3.3Å; V195-T199 WeakPolarHBondContact O-CB 3.32Å; V195-T199 WeakPolarHBondContact O-CG2 3.49Å; V195-T199 PolarHBondContact O-N 3.45Å; V195-T199 PolarHBondContact O-OG1 3.35Å |
| 196 | I | 93.9 | Very high | 88.7 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 178.5 | -65.7 | 160.3 | 0 | 0 | 0 | 110.6 | A111 F112 F115 M192 L193 T199 T200 | A111-I196 HydrophobicContact CB-CG2 4.04Å; F112-I196 HydrophobicContact CD1-CD1 4.05Å; F112-I196 HydrophobicContact CD1-CG1 4.46Å; F112-I196 HydrophobicContact CD1-CG2 4.36Å; F112-I196 HydrophobicContact CE1-CD1 3.36Å; F112-I196 HydrophobicContact CE1-CG1 3.92Å; F112-I196 HydrophobicContact CE2-CD1 4.19Å; F112-I196 HydrophobicContact CZ-CD1 3.44Å; F112-I196 VanDerWaalsContact CZ-CD1 3.44Å; F112-I196 HydrophobicContact CZ-CG1 4.46Å; F115-I196 HydrophobicContact CB-CG2 4.4Å; M192-I196 HydrophobicContact CG-CD1 3.89Å; M192-I196 WeakPolarHBondContact O-CD1 3.45Å; M192-I196 VanDerWaalsContact O-CG1 3.29Å; M192-I196 WeakPolarHBondContact O-CG1 3.38Å; M192-I196 PolarHBondContact O-N 2.87Å; L193-I196 PolarHBondContact O-N 3.24Å; I196-T199 WeakPolarHBondContact CA-OG1 3.39Å; I196-T199 PolarHBondContact O-OG1 2.92Å; I196-T200 WeakPolarHBondContact O-CB 3.3Å; I196-T200 PolarHBondContact O-N 2.82Å; I196-T200 PolarHBondContact O-OG1 2.78Å |
| 197 | V | 91 | Very high | 89.6 | Confident | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.085 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 178.6 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L193 T200 H201 F295 L296 | L193-V197 HydrophobicContact CD1-CG2 4.49Å; L193-V197 WeakPolarHBondContact O-CB 3.39Å; L193-V197 WeakPolarHBondContact O-CG2 3.49Å; L193-V197 PolarHBondContact O-N 2.97Å; V197-T200 WeakPolarHBondContact O-CB 3.37Å; V197-T200 PolarHBondContact O-N 3.15Å; V197-H201 PolarHBondContact O-CD2 3.44Å; V197-H201 PolarHBondContact O-N 3.47Å; V197-F295 HydrophobicContact CG2-CE1 3.91Å; V197-L296 HydrophobicContact CG1-CD1 3.72Å |
| 198 | G | 92.9 | Very high | 90.2 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A194 V195 T200 H201 V202 | A194-G198 WeakPolarHBondContact O-CA 3.5Å; A194-G198 PolarHBondContact O-N 3.21Å; V195-G198 PolarHBondContact O-N 3.05Å; G198-T200 VanDerWaalsContact C-N 3.33Å; G198-T200 PolarHBondContact O-N 3.05Å; G198-H201 PolarHBondContact O-N 3.31Å; G198-V202 WeakPolarHBondContact O-CG2 3.46Å; G198-V202 PolarHBondContact O-N 3.31Å |
| 199 | T | 94.6 | Very high | 90.8 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 36% | 0.362 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 177 | 53.4 | 0 | 0 | 0 | 0 | 112 | V195 I196 H201 V202 V203 | V195-T199 HydrophobicContact CG1-CG2 4.19Å; V195-T199 VanDerWaalsContact O-CB 3.3Å; V195-T199 WeakPolarHBondContact O-CB 3.32Å; V195-T199 WeakPolarHBondContact O-CG2 3.49Å; V195-T199 PolarHBondContact O-N 3.45Å; V195-T199 PolarHBondContact O-OG1 3.35Å; I196-T199 WeakPolarHBondContact CA-OG1 3.39Å; I196-T199 PolarHBondContact O-OG1 2.92Å; T199-H201 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 3.11Å; T199-V202 PolarHBondContact O-N 3.39Å; T199-V203 WeakPolarHBondContact O-CG2 3.41Å; T199-V203 PolarHBondContact O-N 2.89Å |
| 200 | T | 95 | Very high | 91.2 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.6 | -47 | 173.4 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | F115 I196 V197 G198 V203 Y204 T292 | F115-T200 WeakPolarHBondContact CA-OG1 3.3Å; F115-T200 WeakPolarHBondContact CB-OG1 3.49Å; F115-T200 WeakPolarHBondContact CD2-OG1 3.33Å; I196-T200 WeakPolarHBondContact O-CB 3.3Å; I196-T200 PolarHBondContact O-N 2.82Å; I196-T200 PolarHBondContact O-OG1 2.78Å; V197-T200 WeakPolarHBondContact O-CB 3.37Å; V197-T200 PolarHBondContact O-N 3.15Å; G198-T200 VanDerWaalsContact C-N 3.33Å; G198-T200 PolarHBondContact O-N 3.05Å; T200-V203 PolarHBondContact O-N 3.5Å; T200-Y204 HydrophobicContact CG2-CD2 3.95Å; T200-Y204 HydrophobicContact CG2-CE2 3.78Å; T200-Y204 VanDerWaalsContact O-CD2 3.25Å; T200-Y204 WeakPolarHBondContact O-CD2 3.4Å; T200-Y204 PolarHBondContact O-N 3.08Å; T200-Y204 VanDerWaalsContact O-N 3.08Å; T200-T292 HydrophobicContact CG2-CG2 4.47Å |
| 201 | H | 91.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 177.6 | -70.9 | -57.3 | 0 | 0 | 0 | 112.7 | V197 G198 T199 V203 Y204 I205 | V197-H201 PolarHBondContact O-CD2 3.44Å; V197-H201 PolarHBondContact O-N 3.47Å; G198-H201 PolarHBondContact O-N 3.31Å; T199-H201 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 3.11Å; H201-V203 VanDerWaalsContact C-N 3.32Å; H201-V203 PolarHBondContact O-N 2.96Å; H201-Y204 PolarHBondContact O-N 3.46Å; H201-I205 WeakPolarHBondContact O-CB 3.41Å; H201-I205 VanDerWaalsContact O-CG1 3.24Å; H201-I205 WeakPolarHBondContact O-CG1 3.45Å; H201-I205 PolarHBondContact O-N 3.48Å |
| 202 | V | 94.5 | Very high | 91.6 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | G198 T199 I205 K206 | G198-V202 WeakPolarHBondContact O-CG2 3.46Å; G198-V202 PolarHBondContact O-N 3.31Å; T199-V202 PolarHBondContact O-N 3.39Å; V202-I205 PolarHBondContact O-N 3.25Å; V202-K206 WeakPolarHBondContact O-CB 3.39Å; V202-K206 WeakPolarHBondContact O-CG 3.18Å; V202-K206 PolarHBondContact O-N 3.43Å |
| 203 | V | 95.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | F115 S118 V119 T199 T200 H201 K206 M207 | F115-V203 HydrophobicContact CE2-CG2 4.37Å; S118-V203 WeakPolarHBondContact OG-CG1 3.46Å; V119-V203 HydrophobicContact CG2-CG1 4.41Å; T199-V203 WeakPolarHBondContact O-CG2 3.41Å; T199-V203 PolarHBondContact O-N 2.89Å; T200-V203 PolarHBondContact O-N 3.5Å; H201-V203 VanDerWaalsContact C-N 3.32Å; H201-V203 PolarHBondContact O-N 2.96Å; V203-K206 WeakPolarHBondContact O-CB 3.17Å; V203-K206 PolarHBondContact O-N 3.05Å; V203-M207 WeakPolarHBondContact O-CB 3.35Å; V203-M207 PolarHBondContact O-N 3.17Å |
| 204 | Y | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.5 | -83.8 | -64.9 | 0 | 0 | 0 | 113.2 | S118 T200 H201 K206 M207 L208 Y289 T292 | S118-Y204 VanDerWaalsContact CB-CZ 3.49Å; T200-Y204 HydrophobicContact CG2-CD2 3.95Å; T200-Y204 HydrophobicContact CG2-CE2 3.78Å; T200-Y204 VanDerWaalsContact O-CD2 3.25Å; T200-Y204 WeakPolarHBondContact O-CD2 3.4Å; T200-Y204 PolarHBondContact O-N 3.08Å; T200-Y204 VanDerWaalsContact O-N 3.08Å; H201-Y204 PolarHBondContact O-N 3.46Å; Y204-K206 VanDerWaalsContact C-N 3.35Å; Y204-M207 HydrophobicContact CD1-CE 3.69Å; Y204-M207 HydrophobicContact CD1-SD 4.29Å; Y204-M207 HydrophobicContact CE1-CE 4.13Å; Y204-M207 WeakPolarHBondContact O-CB 3.48Å; Y204-M207 PolarHBondContact O-N 3.41Å; Y204-L208 VanDerWaalsContact O-CG 3.31Å; Y204-L208 WeakPolarHBondContact O-CG 3.29Å; Y204-L208 PolarHBondContact O-N 3.01Å; Y204-Y289 AromaticContact CD1-CD2 3.81Å; Y204-Y289 HydrophobicContact CD1-CD2 3.81Å; Y204-Y289 HydrophobicContact CD1-CG 4.33Å; Y204-Y289 HydrophobicContact CD2-CD2 4.28Å; Y204-Y289 AromaticContact CG-CD2 3.67Å; Y204-Y289 HydrophobicContact CG-CD2 3.67Å; Y204-Y289 HydrophobicContact CG-CE2 4.41Å; Y204-T292 HydrophobicContact CD2-CG2 4.35Å; Y204-T292 HydrophobicContact CE2-CG2 3.36Å; Y204-T292 VanDerWaalsContact CE2-OG1 3.28Å; Y204-T292 WeakPolarHBondContact CE2-OG1 3.42Å |
| 205 | I | 92.3 | Very high | 90.2 | Very high | 95 Ų | 95 | 58.5 Ų | 58.5 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 175.8 | -69 | 163.7 | 0 | 0 | 0 | 109.4 | H201 V202 M207 L208 C209 | H201-I205 WeakPolarHBondContact O-CB 3.41Å; H201-I205 VanDerWaalsContact O-CG1 3.24Å; H201-I205 WeakPolarHBondContact O-CG1 3.45Å; H201-I205 PolarHBondContact O-N 3.48Å; V202-I205 PolarHBondContact O-N 3.25Å; I205-M207 VanDerWaalsContact C-N 3.31Å; I205-M207 PolarHBondContact O-N 3.29Å; I205-L208 PolarHBondContact O-N 2.76Å; I205-L208 VanDerWaalsContact O-N 3.11Å; I205-C209 PolarHBondContact O-N 3.11Å; I205-C209 PolarHBondContact O-SG 3Å |
| 206 | K | 93.3 | Very high | 88.8 | Confident | 137 Ų | 137 | 61.7 Ų | 61.7 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -54.6 | -45.1 | 173.1 | -77.2 | -84.1 | -179.3 | 172.4 | 0 | 112 | V202 V203 Y204 F210 | V202-K206 WeakPolarHBondContact O-CB 3.39Å; V202-K206 WeakPolarHBondContact O-CG 3.18Å; V202-K206 PolarHBondContact O-N 3.43Å; V203-K206 WeakPolarHBondContact O-CB 3.17Å; V203-K206 PolarHBondContact O-N 3.05Å; Y204-K206 VanDerWaalsContact C-N 3.35Å; K206-F210 WeakPolarHBondContact O-CB 3.37Å; K206-F210 PolarHBondContact O-N 2.89Å |
| 207 | M | 91.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 175.4 | -175.3 | -168.7 | 78.1 | 0 | 0 | 112.2 | R121 Y122 I125 V203 Y204 I205 F210 V211 | R121-M207 HydrophobicContact CB-SD 3.85Å; Y122-M207 HydrophobicContact CD2-CB 3.98Å; Y122-M207 HydrophobicContact CD2-CG 4.47Å; I125-M207 HydrophobicContact CD1-CG 4.04Å; I125-M207 HydrophobicContact CD1-SD 3.83Å; V203-M207 WeakPolarHBondContact O-CB 3.35Å; V203-M207 PolarHBondContact O-N 3.17Å; Y204-M207 HydrophobicContact CD1-CE 3.69Å; Y204-M207 HydrophobicContact CD1-SD 4.29Å; Y204-M207 HydrophobicContact CE1-CE 4.13Å; Y204-M207 WeakPolarHBondContact O-CB 3.48Å; Y204-M207 PolarHBondContact O-N 3.41Å; I205-M207 VanDerWaalsContact C-N 3.31Å; I205-M207 PolarHBondContact O-N 3.29Å; M207-F210 PolarHBondContact O-N 3.07Å; M207-V211 VanDerWaalsContact O-CG2 3.28Å; M207-V211 WeakPolarHBondContact O-CG2 3.45Å; M207-V211 PolarHBondContact O-N 2.99Å |
| 208 | L | 90.5 | Very high | 85.4 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | -179.5 | -70.3 | 174 | 0 | 0 | 0 | 112.1 | Y204 I205 V211 Y212 Y289 | Y204-L208 VanDerWaalsContact O-CG 3.31Å; Y204-L208 WeakPolarHBondContact O-CG 3.29Å; Y204-L208 PolarHBondContact O-N 3.01Å; I205-L208 PolarHBondContact O-N 2.76Å; I205-L208 VanDerWaalsContact O-N 3.11Å; L208-V211 PolarHBondContact O-N 2.97Å; L208-Y212 WeakPolarHBondContact O-CB 3.34Å; L208-Y212 PolarHBondContact O-N 2.68Å; L208-Y289 HydrophobicContact CD1-CD1 4.37Å; L208-Y289 HydrophobicContact CD1-CD2 4.41Å; L208-Y289 HydrophobicContact CD1-CE1 4.05Å; L208-Y289 HydrophobicContact CD1-CE2 4.09Å |
| 209 | C | 90.9 | Very high | 83.8 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 172.8 | -69 | 0 | 0 | 0 | 0 | 110.8 | I205 V211 Y212 D213 | I205-C209 PolarHBondContact O-N 3.11Å; I205-C209 PolarHBondContact O-SG 3Å; C209-V211 VanDerWaalsContact C-N 3.31Å; C209-V211 PolarHBondContact O-N 3.25Å; C209-Y212 WeakPolarHBondContact O-CA 3.4Å; C209-Y212 WeakPolarHBondContact O-CB 3.35Å; C209-Y212 PolarHBondContact O-N 3.06Å; C209-D213 PolarHBondContact O-N 3.07Å |
| 210 | F | 89.9 | Confident | 81.9 | Confident | 51 Ų | 51 | 79 Ų | 79 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.7 | -46.8 | 175.8 | -179.6 | -90.2 | 0 | 0 | 0 | 112 | I125 A126 K206 M207 Y212 D213 H214 | I125-F210 HydrophobicContact CG2-CD1 3.99Å; I125-F210 HydrophobicContact CG2-CE1 4.03Å; A126-F210 HydrophobicContact CB-CD1 4.19Å; A126-F210 HydrophobicContact CB-CD2 4.3Å; A126-F210 HydrophobicContact CB-CE1 3.92Å; A126-F210 HydrophobicContact CB-CE2 4.01Å; A126-F210 HydrophobicContact CB-CG 4.38Å; A126-F210 HydrophobicContact CB-CZ 3.82Å; K206-F210 WeakPolarHBondContact O-CB 3.37Å; K206-F210 PolarHBondContact O-N 2.89Å; M207-F210 PolarHBondContact O-N 3.07Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 3.37Å; F210-D213 PolarHBondContact O-N 2.86Å; F210-H214 AromaticContact CD1-CD2 3.85Å; F210-H214 AromaticContact CD2-CD2 3.73Å; F210-H214 AromaticContact CD2-NE2 3.88Å; F210-H214 AromaticContact CE1-CD2 3.49Å; F210-H214 VanDerWaalsContact CE1-CD2 3.49Å; F210-H214 WeakPolarHBondContact CE1-CD2 3.32Å; F210-H214 AromaticContact CE1-NE2 3.9Å; F210-H214 AromaticContact CE2-CD2 3.38Å; F210-H214 WeakPolarHBondContact CE2-CD2 3.37Å; F210-H214 AromaticContact CE2-NE2 3.14Å; F210-H214 WeakPolarHBondContact CE2-NE2 3.46Å; F210-H214 AromaticContact CG-CD2 3.95Å; F210-H214 AromaticContact CZ-CD2 3.24Å; F210-H214 WeakPolarHBondContact CZ-CD2 3.33Å; F210-H214 AromaticContact CZ-CE1 3.96Å; F210-H214 AromaticContact CZ-NE2 3.14Å; F210-H214 WeakPolarHBondContact CZ-NE2 3.44Å; F210-H214 WeakPolarHBondContact O-CB 3.16Å; F210-H214 PolarHBondContact O-CD2 3.47Å; F210-H214 VanDerWaalsContact O-CD2 3.3Å; F210-H214 PolarHBondContact O-N 2.91Å |
| 211 | V | 87.3 | Confident | 79.8 | Confident | 8 Ų | 8 | 87 Ų | 87 | 5% | 0.048 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.5 | -29.7 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 112.7 | I125 M207 L208 C209 R215 K282 | I125-V211 HydrophobicContact CD1-CG2 4.36Å; I125-V211 HydrophobicContact CG2-CG2 3.65Å; M207-V211 VanDerWaalsContact O-CG2 3.28Å; M207-V211 WeakPolarHBondContact O-CG2 3.45Å; M207-V211 PolarHBondContact O-N 2.99Å; L208-V211 PolarHBondContact O-N 2.97Å; C209-V211 VanDerWaalsContact C-N 3.31Å; C209-V211 PolarHBondContact O-N 3.25Å; V211-R215 WeakPolarHBondContact O-CG 3.5Å; V211-R215 PolarHBondContact O-N 2.9Å; V211-R215 PolarHBondContact O-NE 3.46Å; V211-K282 HydrophobicContact CG1-CD 3.77Å; V211-K282 VanDerWaalsContact CG1-CE 3.42Å; V211-K282 HydrophobicContact CG1-CG 4.31Å |
| 212 | Y | 86.9 | Confident | 78.1 | Confident | 135 Ų | 135 | 92.2 Ų | 92.2 | 53% | 0.529 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 174.9 | 179.1 | -94.8 | 0 | 0 | 0 | 111.2 | L208 C209 F210 R215 | L208-Y212 WeakPolarHBondContact O-CB 3.34Å; L208-Y212 PolarHBondContact O-N 2.68Å; C209-Y212 WeakPolarHBondContact O-CA 3.4Å; C209-Y212 WeakPolarHBondContact O-CB 3.35Å; C209-Y212 PolarHBondContact O-N 3.06Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 3.37Å; Y212-R215 WeakPolarHBondContact O-CB 3.49Å; Y212-R215 PolarHBondContact O-N 3.27Å |
| 213 | D | 84.4 | Confident | 76 | Confident | 89 Ų | 89 | 93 Ų | 93 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 179.5 | -64.9 | -26.7 | 0 | 0 | 0 | 111.5 | C209 F210 R215 K216 | C209-D213 PolarHBondContact O-N 3.07Å; F210-D213 PolarHBondContact O-N 2.86Å; D213-R215 PolarHBondContact O-N 3.29Å; D213-K216 WeakPolarHBondContact O-CB 3.38Å; D213-K216 PolarHBondContact O-N 3.37Å; D213-K216 VanDerWaalsContact O-N 3.17Å |
| 214 | H | 79.5 | Confident | 74 | Confident | 72 Ų | 72 | 95.6 Ų | 95.6 | 33% | 0.333 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.4 | -15.2 | 176.6 | -82.4 | -83.9 | 0 | 0 | 0 | 114.2 | F210 K216 M217 | F210-H214 AromaticContact CD1-CD2 3.85Å; F210-H214 AromaticContact CD2-CD2 3.73Å; F210-H214 AromaticContact CD2-NE2 3.88Å; F210-H214 AromaticContact CE1-CD2 3.49Å; F210-H214 VanDerWaalsContact CE1-CD2 3.49Å; F210-H214 WeakPolarHBondContact CE1-CD2 3.32Å; F210-H214 AromaticContact CE1-NE2 3.9Å; F210-H214 AromaticContact CE2-CD2 3.38Å; F210-H214 WeakPolarHBondContact CE2-CD2 3.37Å; F210-H214 AromaticContact CE2-NE2 3.14Å; F210-H214 WeakPolarHBondContact CE2-NE2 3.46Å; F210-H214 AromaticContact CG-CD2 3.95Å; F210-H214 AromaticContact CZ-CD2 3.24Å; F210-H214 WeakPolarHBondContact CZ-CD2 3.33Å; F210-H214 AromaticContact CZ-CE1 3.96Å; F210-H214 AromaticContact CZ-NE2 3.14Å; F210-H214 WeakPolarHBondContact CZ-NE2 3.44Å; F210-H214 WeakPolarHBondContact O-CB 3.16Å; F210-H214 PolarHBondContact O-CD2 3.47Å; F210-H214 VanDerWaalsContact O-CD2 3.3Å; F210-H214 PolarHBondContact O-N 2.91Å; H214-K216 PolarHBondContact O-N 3.02Å; H214-M217 WeakPolarHBondContact CE1-CE 3.3Å; H214-M217 WeakPolarHBondContact ND1-CE 3.33Å; H214-M217 PolarHBondContact ND1-SD 2.97Å; H214-M217 WeakPolarHBondContact O-CB 3.34Å; H214-M217 PolarHBondContact O-N 3.48Å |
| 215 | R | 73.4 | Confident | 71.9 | Confident | 146 Ų | 146 | 100.7 Ų | 100.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.3 | 172.2 | -98.5 | -177 | -83.7 | -153.7 | 4.5 | 113.1 | V211 Y212 D213 M217 K282 | V211-R215 WeakPolarHBondContact O-CG 3.5Å; V211-R215 PolarHBondContact O-N 2.9Å; V211-R215 PolarHBondContact O-NE 3.46Å; Y212-R215 WeakPolarHBondContact O-CB 3.49Å; Y212-R215 PolarHBondContact O-N 3.27Å; D213-R215 PolarHBondContact O-N 3.29Å; R215-M217 PolarHBondContact O-N 2.9Å; R215-K282 VanDerWaalsContact CZ-NZ 3.31Å |
| 216 | K | 62.7 | Low | 69.7 | Low | 155 Ų | 155 | 98 Ų | 98 | 67% | 0.674 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.1 | 177.1 | -62.1 | -177.1 | 179.7 | 178.1 | 0 | 112.5 | D213 H214 | D213-K216 WeakPolarHBondContact O-CB 3.38Å; D213-K216 PolarHBondContact O-N 3.37Å; D213-K216 VanDerWaalsContact O-N 3.17Å; H214-K216 PolarHBondContact O-N 3.02Å |
| 217 | M | 59.8 | Low | 67.6 | Low | 113 Ų | 113 | 94.3 Ų | 94.3 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -80.2 | 121.7 | 177.3 | -56.9 | -175.6 | -171.7 | 0 | 0 | 109.7 | H214 R215 | H214-M217 WeakPolarHBondContact CE1-CE 3.3Å; H214-M217 WeakPolarHBondContact ND1-CE 3.33Å; H214-M217 PolarHBondContact ND1-SD 2.97Å; H214-M217 WeakPolarHBondContact O-CB 3.34Å; H214-M217 PolarHBondContact O-N 3.48Å; R215-M217 PolarHBondContact O-N 2.9Å |
| 218 | K | 54.1 | Low | 65.4 | Low | 194 Ų | 194 | 98.5 Ų | 98.5 | 84% | 0.843 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 134.2 | 171.7 | -64.3 | -175 | -178.8 | -176.2 | 0 | 108.2 | A220 | K218-A220 PolarHBondContact O-N 3.25Š|
| 219 | P | 59.3 | Low | 63.1 | Low | 95 Ų | 95 | 99.1 Ų | 99.1 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 129.6 | 176.1 | 23.2 | -31.1 | 0 | 0 | 0 | 108.6 | Q221 | P219-Q221 PolarHBondContact O-N 2.87Š|
| 220 | A | 54.1 | Low | 61.1 | Low | 83 Ų | 83 | 107.4 Ų | 107.4 | 69% | 0.686 | 55% | 0.548 | S | S | * | . | trans | -58 | 111.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | K218 L222 | K218-A220 PolarHBondContact O-N 3.25Å; A220-L222 PolarHBondContact O-N 3.36Å | ||
| 221 | Q | 52.2 | Low | 58.8 | Low | 175 Ų | 175 | 108.5 Ų | 108.5 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | trans | -68.6 | 101.4 | 168.3 | -75.1 | -173.9 | -26.1 | 0 | 0 | 105.9 | P219 V223 | P219-Q221 PolarHBondContact O-N 2.87Å; Q221-V223 PolarHBondContact O-N 3.21Å | ||
| 222 | L | 54.7 | Low | 56.4 | Low | 139 Ų | 139 | 117.4 Ų | 117.4 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | trans | -66.1 | 90.9 | 161.9 | -91.1 | 98.8 | 0 | 0 | 0 | 106.4 | A220 P224 L272 | A220-L222 PolarHBondContact O-N 3.36Å; L222-P224 VanDerWaalsContact O-CD 3.23Å; L222-P224 WeakPolarHBondContact O-CD 3.32Å; L222-L272 HydrophobicContact CD1-CD1 4.07Å | ||
| 223 | V | 51.3 | Low | 54.2 | Low | 101 Ų | 101 | 115.9 Ų | 115.9 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | trans | -68.9 | 112.7 | 161.7 | -176.3 | 0 | 0 | 0 | 0 | 104.6 | Q221 A225 | Q221-V223 PolarHBondContact O-N 3.21Å; V223-A225 PolarHBondContact O-N 3.05Å | ||
| 224 | P | 53.1 | Low | 52.1 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | trans | -57 | 134.4 | 173.2 | 23.8 | -30.9 | 0 | 0 | 0 | 107.7 | L222 I226 | L222-P224 VanDerWaalsContact O-CD 3.23Å; L222-P224 WeakPolarHBondContact O-CD 3.32Å; P224-I226 VanDerWaalsContact C-N 3.31Å; P224-I226 HydrophobicContact CB-CG1 4.36Å; P224-I226 HydrophobicContact CG-CD1 4.3Å; P224-I226 HydrophobicContact CG-CG1 4.11Å; P224-I226 PolarHBondContact O-N 2.92Å | ||
| 225 | A | 49.5 | Very low | 50.2 | Low | 108 Ų | 108 | 116.9 Ų | 116.9 | 89% | 0.893 | 62% | 0.619 | S | S | * | * | trans | -64.8 | 98.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | V223 | V223-A225 PolarHBondContact O-N 3.05Š| ||
| 226 | I | 45.3 | Very low | 49.1 | Very low | 38 Ų | 38 | 112.2 Ų | 112.2 | 20% | 0.195 | 62% | 0.617 | C | S | . | * | trans | -91.8 | 122.8 | 174.8 | -54.3 | 157.3 | 0 | 0 | 0 | 104.8 | P224 I261 R262 Q263 | P224-I226 VanDerWaalsContact C-N 3.31Å; P224-I226 HydrophobicContact CB-CG1 4.36Å; P224-I226 HydrophobicContact CG-CD1 4.3Å; P224-I226 HydrophobicContact CG-CG1 4.11Å; P224-I226 PolarHBondContact O-N 2.92Å; I226-I261 HydrophobicContact CB-CB 4.2Å; I226-I261 HydrophobicContact CB-CG2 3.59Å; I226-I261 HydrophobicContact CD1-CG2 4.2Å; I226-I261 HydrophobicContact CG1-CG2 4.4Å; I226-I261 HydrophobicContact CG2-CB 4.48Å; I226-I261 HydrophobicContact CG2-CG2 4.25Å; I226-I261 WeakPolarHBondContact O-CA 3.19Å; I226-I261 WeakPolarHBondContact O-CB 3.26Å; I226-I261 WeakPolarHBondContact O-CD1 3.19Å; I226-I261 WeakPolarHBondContact O-CG1 3.42Å; I226-I261 WeakPolarHBondContact O-CG2 3.49Å; I226-I261 PolarHBondContact O-N 3.21Å; I226-R262 WeakPolarHBondContact CG2-O 3.47Å; I226-Q263 HydrophobicContact CD1-CB 4.25Å; I226-Q263 HydrophobicContact CD1-CG 3.34Å | ||
| 227 | S | 50.3 | Low | 48.4 | Very low | 60 Ų | 60 | 107.8 Ų | 107.8 | 42% | 0.42 | 61% | 0.609 | S | S | . | * | trans | -105.3 | 141.8 | 160.7 | 70.7 | 0 | 0 | 0 | 0 | 107.9 | N229 I261 | S227-N229 VanDerWaalsContact C-N 3.35Å; S227-N229 PolarHBondContact OG-O 3.19Å; S227-I261 VanDerWaalsContact C-N 3.29Å | ||
| 228 | Q | 44.8 | Very low | 48 | Very low | 93 Ų | 93 | 105.8 Ų | 105.8 | 44% | 0.435 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -85.3 | -20.6 | 175.7 | -80 | 163.5 | 19.1 | 0 | 0 | 108.7 | V259 G260 I261 R262 | Q228-V259 WeakPolarHBondContact CB-O 3.22Å; Q228-V259 PolarHBondContact OE1-O 3.38Å; Q228-G260 VanDerWaalsContact CB-CA 3.4Å; Q228-G260 WeakPolarHBondContact CG-O 3.23Å; Q228-G260 PolarHBondContact NE2-O 3.22Å; Q228-G260 PolarHBondContact OE1-O 2.83Å; Q228-I261 PolarHBondContact NE2-O 3.36Å; Q228-R262 HydrophobicContact CG-CB 3.77Å; Q228-R262 VanDerWaalsContact NE2-CB 3.32Å |
| 229 | N | 42.7 | Very low | 48 | Very low | 76 Ų | 76 | 98.8 Ų | 98.8 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -120.5 | 112.6 | 176.4 | -66.3 | -21.6 | 0 | 0 | 0 | 109 | S227 T231 | S227-N229 VanDerWaalsContact C-N 3.35Å; S227-N229 PolarHBondContact OG-O 3.19Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 3.39Å; N229-T231 VanDerWaalsContact O-N 3.12Å |
| 230 | W | 46.9 | Very low | 47.7 | Very low | 239 Ų | 239 | 100.6 Ų | 100.6 | 91% | 0.905 | 59% | 0.586 | S | S | * | * | trans | -78 | 86.3 | 169.5 | -65.2 | 73 | 0 | 0 | 0 | 108.1 | ||||
| 231 | T | 43.3 | Very low | 47.8 | Very low | 73 Ų | 73 | 99.4 Ų | 99.4 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | trans | -112.4 | 89.5 | 160.9 | 48.5 | 0 | 0 | 0 | 0 | 108.3 | N229 H233 | N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 3.39Å; N229-T231 VanDerWaalsContact O-N 3.12Å; T231-H233 WeakPolarHBondContact CB-NE2 3.3Å; T231-H233 PolarHBondContact O-N 3.26Å | ||
| 232 | F | 37 | Very low | 48 | Very low | 196 Ų | 196 | 92.5 Ų | 92.5 | 86% | 0.86 | 55% | 0.549 | S | S | * | . | trans | -64.3 | 90 | 165.8 | -178.2 | -95.8 | 0 | 0 | 0 | 107.8 | ||||
| 233 | H | 40.7 | Very low | 48.2 | Very low | 102 Ų | 102 | 88.3 Ų | 88.3 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | trans | -88.2 | 122.2 | 165.1 | -70.8 | -75.8 | 0 | 0 | 0 | 107.1 | T231 A237 T238 | T231-H233 WeakPolarHBondContact CB-NE2 3.3Å; T231-H233 PolarHBondContact O-N 3.26Å; H233-A237 HydrophobicContact CB-CB 4.28Å; H233-T238 HydrophobicContact CB-CG2 3.7Å | ||
| 234 | G | 39.3 | Very low | 48.5 | Very low | 36 Ų | 36 | 88 Ų | 88 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | trans | -52.9 | 167.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G236 A237 | G234-G236 PolarHBondContact O-N 2.84Å; G234-A237 PolarHBondContact O-N 3.32Å | ||
| 235 | P | 40.9 | Very low | 48.8 | Very low | 146 Ų | 146 | 88.9 Ų | 88.9 | 95% | 0.948 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 94.5 | -169.7 | 27.5 | -33.4 | 0 | 0 | 0 | 110.5 | ||
| 236 | G | 49.3 | Very low | 49.3 | Very low | 49 Ų | 49 | 90.3 Ų | 90.3 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 160.4 | -34.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G234 Q240 | G234-G236 PolarHBondContact O-N 2.84Å; G236-Q240 PolarHBondContact O-OE1 3.18Å |
| 237 | A | 48.5 | Very low | 49.9 | Very low | 61 Ų | 61 | 91.5 Ų | 91.5 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -95.1 | -19.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H233 G234 | H233-A237 HydrophobicContact CB-CB 4.28Å; G234-A237 PolarHBondContact O-N 3.32Å |
| 238 | T | 51.6 | Low | 50.2 | Low | 71 Ų | 71 | 91.7 Ų | 91.7 | 44% | 0.436 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -80.9 | -28.8 | -171.4 | 43 | 0 | 0 | 0 | 0 | 114.9 | H233 | H233-T238 HydrophobicContact CB-CG2 3.7Å |
| 239 | G | 52.8 | Low | 50.8 | Low | 48 Ų | 48 | 95.7 Ų | 95.7 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -82.7 | -41 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A243 | G239-A243 WeakPolarHBondContact O-CB 3.33Å; G239-A243 PolarHBondContact O-N 3.5Å |
| 240 | Q | 53.3 | Low | 51.5 | Low | 133 Ų | 133 | 93.7 Ų | 93.7 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.7 | -37.4 | -173.9 | -90.1 | 154.3 | -44.7 | 0 | 0 | 113.3 | G236 A243 N244 | G236-Q240 PolarHBondContact O-OE1 3.18Å; Q240-A243 PolarHBondContact O-N 3.27Å; Q240-N244 WeakPolarHBondContact O-CB 3.43Å; Q240-N244 PolarHBondContact O-N 2.97Å; Q240-N244 PolarHBondContact O-ND2 2.94Å |
| 241 | A | 55.8 | Low | 51.5 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W245 | A241-W245 WeakPolarHBondContact O-CB 3.3Å; A241-W245 PolarHBondContact O-N 3.41Å |
| 242 | A | 58.1 | Low | 52.2 | Low | 31 Ų | 31 | 93.3 Ų | 93.3 | 26% | 0.256 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.6 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W245 I246 | A242-W245 PolarHBondContact O-N 3.31Å; A242-I246 WeakPolarHBondContact O-CD1 3.45Å; A242-I246 WeakPolarHBondContact O-CG1 3.37Å; A242-I246 PolarHBondContact O-N 3.28Å |
| 243 | A | 57 | Low | 52.9 | Low | 51 Ų | 51 | 90.1 Ų | 90.1 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G239 Q240 W245 I246 A247 | G239-A243 WeakPolarHBondContact O-CB 3.33Å; G239-A243 PolarHBondContact O-N 3.5Å; Q240-A243 PolarHBondContact O-N 3.27Å; A243-W245 VanDerWaalsContact C-N 3.32Å; A243-W245 PolarHBondContact O-N 2.94Å; A243-I246 PolarHBondContact O-N 3.06Å; A243-A247 WeakPolarHBondContact O-CB 3.27Å; A243-A247 PolarHBondContact O-N 2.62Å |
| 244 | N | 59.6 | Low | 53.4 | Low | 93 Ų | 93 | 88.9 Ų | 88.9 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -31.2 | 177.5 | -71.6 | -11.3 | 0 | 0 | 0 | 112.6 | Q240 F249 | Q240-N244 WeakPolarHBondContact O-CB 3.43Å; Q240-N244 PolarHBondContact O-N 2.97Å; Q240-N244 PolarHBondContact O-ND2 2.94Å; N244-F249 WeakPolarHBondContact O-CB 3.23Å; N244-F249 PolarHBondContact O-N 3.01Å; N244-F249 VanDerWaalsContact O-N 3.1Å |
| 245 | W | 59.4 | Low | 53.8 | Low | 105 Ų | 105 | 88.4 Ų | 88.4 | 40% | 0.398 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.8 | -44.6 | 174.8 | -164.5 | 91 | 0 | 0 | 0 | 111.8 | A241 A242 A243 A247 G248 T254 P255 | A241-W245 WeakPolarHBondContact O-CB 3.3Å; A241-W245 PolarHBondContact O-N 3.41Å; A242-W245 PolarHBondContact O-N 3.31Å; A243-W245 VanDerWaalsContact C-N 3.32Å; A243-W245 PolarHBondContact O-N 2.94Å; W245-A247 VanDerWaalsContact C-N 3.26Å; W245-A247 PolarHBondContact O-N 3.3Å; W245-G248 PolarHBondContact O-N 2.89Å; W245-G248 VanDerWaalsContact O-N 3.08Å; W245-T254 HydrophobicContact CH2-CG2 4.06Å; W245-T254 HydrophobicContact CZ2-CG2 3.66Å; W245-P255 HydrophobicContact CG-CG 4.45Å |
| 246 | I | 59.2 | Low | 54.1 | Low | 139 Ų | 139 | 85.3 Ų | 85.3 | 71% | 0.713 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -32.8 | 175 | -62.3 | 163 | 0 | 0 | 0 | 111.2 | A242 A243 G248 | A242-I246 WeakPolarHBondContact O-CD1 3.45Å; A242-I246 WeakPolarHBondContact O-CG1 3.37Å; A242-I246 PolarHBondContact O-N 3.28Å; A243-I246 PolarHBondContact O-N 3.06Å; I246-G248 PolarHBondContact O-N 3.3Å |
| 247 | A | 58.6 | Low | 54.2 | Low | 62 Ų | 62 | 86.9 Ų | 86.9 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 5.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A243 W245 F249 | A243-A247 WeakPolarHBondContact O-CB 3.27Å; A243-A247 PolarHBondContact O-N 2.62Å; W245-A247 VanDerWaalsContact C-N 3.26Å; W245-A247 PolarHBondContact O-N 3.3Å; A247-F249 HydrophobicContact CB-CD2 3.91Å; A247-F249 HydrophobicContact CB-CE2 4.14Å; A247-F249 WeakPolarHBondContact O-CD2 3.32Å; A247-F249 PolarHBondContact O-N 3.29Å |
| 248 | G | 56.6 | Low | 54.2 | Low | 65 Ų | 65 | 90 Ų | 90 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 6.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | W245 I246 | W245-G248 PolarHBondContact O-N 2.89Å; W245-G248 VanDerWaalsContact O-N 3.08Å; I246-G248 PolarHBondContact O-N 3.3Å |
| 249 | F | 57.4 | Low | 53.8 | Low | 176 Ų | 176 | 90.5 Ų | 90.5 | 77% | 0.772 | 54% | 0.537 | S | S | * | . | trans | -86.4 | -3.1 | 178.8 | -65.8 | -80.2 | 0 | 0 | 0 | 113.9 | N244 A247 R251 | N244-F249 WeakPolarHBondContact O-CB 3.23Å; N244-F249 PolarHBondContact O-N 3.01Å; N244-F249 VanDerWaalsContact O-N 3.1Å; A247-F249 HydrophobicContact CB-CD2 3.91Å; A247-F249 HydrophobicContact CB-CE2 4.14Å; A247-F249 WeakPolarHBondContact O-CD2 3.32Å; A247-F249 PolarHBondContact O-N 3.29Å; F249-R251 PolarHBondContact O-N 3.43Å | ||
| 250 | G | 55.6 | Low | 53.3 | Low | 35 Ų | 35 | 88.7 Ų | 88.7 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | trans | -92.3 | 89.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G252 | G250-G252 VanDerWaalsContact C-N 3.28Å; G250-G252 PolarHBondContact O-N 2.96Å | ||
| 251 | R | 48.4 | Very low | 52.8 | Low | 261 Ų | 261 | 87.6 Ų | 87.6 | 99% | 0.985 | 52% | 0.515 | S | S | * | . | trans | -85.8 | 64.6 | 165.9 | -74.9 | -164.8 | 175.9 | 149.8 | 0.5 | 111.6 | F249 | F249-R251 PolarHBondContact O-N 3.43Š| ||
| 252 | G | 56.8 | Low | 52 | Low | 42 Ų | 42 | 94.8 Ų | 94.8 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -164.4 | 166.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | G250 | G250-G252 VanDerWaalsContact C-N 3.28Å; G250-G252 PolarHBondContact O-N 2.96Å |
| 253 | P | 52.9 | Low | 51.3 | Low | 129 Ų | 129 | 100.2 Ų | 100.2 | 84% | 0.838 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -56.3 | 146.6 | -179.4 | 22.5 | -31.2 | 0 | 0 | 0 | 111.5 | ||
| 254 | T | 50.3 | Low | 50.3 | Low | 76 Ų | 76 | 104.4 Ų | 104.4 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -50 | 133.3 | -174.4 | 48 | 0 | 0 | 0 | 0 | 111.8 | W245 | W245-T254 HydrophobicContact CH2-CG2 4.06Å; W245-T254 HydrophobicContact CZ2-CG2 3.66Å |
| 255 | P | 47.4 | Very low | 49.3 | Very low | 27 Ų | 27 | 105.3 Ų | 105.3 | 18% | 0.175 | 58% | 0.584 | C | S | . | * | P | Polyproline II helix | trans | -60.4 | 143.3 | -178.5 | 21.9 | -30.9 | 0 | 0 | 0 | 111.5 | W245 T257 L258 | W245-P255 HydrophobicContact CG-CG 4.45Å; P255-T257 PolarHBondContact O-N 3.33Å; P255-L258 PolarHBondContact O-N 2.91Å |
| 256 | P | 48.3 | Very low | 48.4 | Very low | 81 Ų | 81 | 108.7 Ų | 108.7 | 53% | 0.526 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -2 | -170.8 | 24.6 | -34 | 0 | 0 | 0 | 114.9 | L258 | P256-L258 PolarHBondContact O-N 2.74Š|
| 257 | T | 50.6 | Low | 47.5 | Very low | 82 Ų | 82 | 109.4 Ų | 109.4 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -15.3 | 173.7 | 46.8 | 0 | 0 | 0 | 0 | 113.5 | P255 | P255-T257 PolarHBondContact O-N 3.33Š|
| 258 | L | 47.9 | Very low | 46.8 | Very low | 126 Ų | 126 | 108.7 Ų | 108.7 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -102.4 | -18.2 | -176.9 | -112 | 139.9 | 0 | 0 | 0 | 114.8 | P255 P256 G260 | P255-L258 PolarHBondContact O-N 2.91Å; P256-L258 PolarHBondContact O-N 2.74Å; L258-G260 PolarHBondContact O-N 3.48Å; L258-G260 VanDerWaalsContact O-N 3.09Å |
| 259 | V | 44.2 | Very low | 46.1 | Very low | 82 Ų | 82 | 112.8 Ų | 112.8 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -92.1 | 41.1 | -175.5 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | Q228 | Q228-V259 WeakPolarHBondContact CB-O 3.22Å; Q228-V259 PolarHBondContact OE1-O 3.38Å |
| 260 | G | 41.9 | Very low | 45.6 | Very low | 9 Ų | 9 | 116 Ų | 116 | 9% | 0.093 | 62% | 0.621 | C | S | . | * | trans | -96.5 | -157.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q228 L258 | Q228-G260 VanDerWaalsContact CB-CA 3.4Å; Q228-G260 WeakPolarHBondContact CG-O 3.23Å; Q228-G260 PolarHBondContact NE2-O 3.22Å; Q228-G260 PolarHBondContact OE1-O 2.83Å; L258-G260 PolarHBondContact O-N 3.48Å; L258-G260 VanDerWaalsContact O-N 3.09Å | ||
| 261 | I | 42.8 | Very low | 45.4 | Very low | 110 Ų | 110 | 122 Ų | 122 | 56% | 0.564 | 63% | 0.633 | S | S | * | * | trans | 57.8 | 71.9 | 155.6 | -20.8 | -138.5 | 0 | 0 | 0 | 119.5 | I226 S227 Q228 | I226-I261 HydrophobicContact CB-CB 4.2Å; I226-I261 HydrophobicContact CB-CG2 3.59Å; I226-I261 HydrophobicContact CD1-CG2 4.2Å; I226-I261 HydrophobicContact CG1-CG2 4.4Å; I226-I261 HydrophobicContact CG2-CB 4.48Å; I226-I261 HydrophobicContact CG2-CG2 4.25Å; I226-I261 WeakPolarHBondContact O-CA 3.19Å; I226-I261 WeakPolarHBondContact O-CB 3.26Å; I226-I261 WeakPolarHBondContact O-CD1 3.19Å; I226-I261 WeakPolarHBondContact O-CG1 3.42Å; I226-I261 WeakPolarHBondContact O-CG2 3.49Å; I226-I261 PolarHBondContact O-N 3.21Å; S227-I261 VanDerWaalsContact C-N 3.29Å; Q228-I261 PolarHBondContact NE2-O 3.36Å | ||
| 262 | R | 39.6 | Very low | 45.8 | Very low | 208 Ų | 208 | 113.4 Ų | 113.4 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | trans | -109.1 | 122.2 | 164.5 | -161 | 174.3 | -179.9 | -177.6 | -0.1 | 109.2 | I226 Q228 T264 | I226-R262 WeakPolarHBondContact CG2-O 3.47Å; Q228-R262 HydrophobicContact CG-CB 3.77Å; Q228-R262 VanDerWaalsContact NE2-CB 3.32Å; R262-T264 PolarHBondContact O-N 3.1Å | ||
| 263 | Q | 41.9 | Very low | 45.9 | Very low | 146 Ų | 146 | 118.4 Ų | 118.4 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | trans | -76.2 | 117.9 | 178.6 | -74.8 | 177.4 | -8.9 | 0 | 0 | 111.6 | I226 S265 | I226-Q263 HydrophobicContact CD1-CB 4.25Å; I226-Q263 HydrophobicContact CD1-CG 3.34Å; Q263-S265 PolarHBondContact O-N 3.1Å | ||
| 264 | T | 36.3 | Very low | 46.5 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 85% | 0.853 | 61% | 0.609 | S | S | * | * | trans | -77 | 102.4 | 156.3 | 36.7 | 0 | 0 | 0 | 0 | 108.1 | R262 H266 | R262-T264 PolarHBondContact O-N 3.1Å; T264-H266 PolarHBondContact O-N 3.03Å | ||
| 265 | S | 39 | Very low | 47.5 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | trans | -69 | 74.4 | 171.5 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | Q263 N267 | Q263-S265 PolarHBondContact O-N 3.1Å; S265-N267 PolarHBondContact O-N 3.35Å | ||
| 266 | H | 40.6 | Very low | 48.7 | Very low | 176 Ų | 176 | 117.4 Ų | 117.4 | 82% | 0.815 | 61% | 0.608 | S | S | * | * | trans | -83.6 | 101.9 | 160.3 | -129.7 | -55.2 | 0 | 0 | 0 | 107.4 | T264 G268 | T264-H266 PolarHBondContact O-N 3.03Å; H266-G268 PolarHBondContact O-N 3.04Å | ||
| 267 | N | 39.8 | Very low | 50 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 83% | 0.829 | 60% | 0.602 | S | S | * | * | trans | -70.3 | 30.4 | 179.1 | -144.4 | 11.2 | 0 | 0 | 0 | 112.7 | S265 N269 | S265-N267 PolarHBondContact O-N 3.35Å; N267-N269 PolarHBondContact O-N 3.19Å | ||
| 268 | G | 44.1 | Very low | 51.4 | Low | 47 Ų | 47 | 117.4 Ų | 117.4 | 49% | 0.485 | 60% | 0.595 | S | S | . | * | trans | -80.7 | 115.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | H266 R270 | H266-G268 PolarHBondContact O-N 3.04Å; G268-R270 PolarHBondContact O-N 3.21Å | ||
| 269 | N | 43.3 | Very low | 52.9 | Low | 150 Ų | 150 | 115.9 Ų | 115.9 | 80% | 0.802 | 58% | 0.583 | S | S | * | * | trans | -50 | 73.4 | 173.5 | -77.3 | -44.3 | 0 | 0 | 0 | 113 | N267 R271 | N267-N269 PolarHBondContact O-N 3.19Å; N269-R271 PolarHBondContact O-N 3.43Å | ||
| 270 | R | 46.9 | Very low | 54.8 | Low | 244 Ų | 244 | 115.2 Ų | 115.2 | 92% | 0.921 | 58% | 0.575 | S | S | * | * | trans | -73.8 | 68.9 | 161.5 | -76.6 | -175.1 | 164.5 | 175.2 | -3.1 | 107.2 | G268 L272 | G268-R270 PolarHBondContact O-N 3.21Å; R270-L272 PolarHBondContact O-N 3.17Å; R270-L272 VanDerWaalsContact O-N 3.13Å | ||
| 271 | R | 49.5 | Very low | 56.8 | Low | 160 Ų | 160 | 115.3 Ų | 115.3 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | trans | -54.9 | 121.5 | 161.6 | -76.9 | -170.9 | 178.1 | 173.6 | 2.1 | 105.9 | N269 L273 D276 | N269-R271 PolarHBondContact O-N 3.43Å; R271-L273 PolarHBondContact O-N 2.83Å; R271-D276 WeakPolarHBondContact CB-OD2 3.36Å; R271-D276 WeakPolarHBondContact CD-OD2 3.32Å; R271-D276 IonicContact NH1-OD2 3.95Å | ||
| 272 | L | 57.2 | Low | 58.9 | Low | 81 Ų | 81 | 113 Ų | 113 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | trans | -55.7 | 111.5 | 177.7 | -142.4 | 140.4 | 0 | 0 | 0 | 107 | L222 R270 V274 L275 D276 | L222-L272 HydrophobicContact CD1-CD1 4.07Å; R270-L272 PolarHBondContact O-N 3.17Å; R270-L272 VanDerWaalsContact O-N 3.13Å; L272-V274 HydrophobicContact CD2-CB 3.75Å; L272-V274 HydrophobicContact CD2-CG2 3.97Å; L272-V274 PolarHBondContact O-N 3.48Å; L272-L275 HydrophobicContact CB-CB 4.23Å; L272-L275 WeakPolarHBondContact O-CA 3.29Å; L272-L275 WeakPolarHBondContact O-CB 3.46Å; L272-L275 PolarHBondContact O-N 3.44Å; L272-D276 PolarHBondContact O-N 3.44Å | ||
| 273 | L | 59.9 | Low | 61.1 | Low | 147 Ų | 147 | 109.1 Ų | 109.1 | 77% | 0.77 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -50.7 | -36.1 | -173.1 | -74.4 | 165.9 | 0 | 0 | 0 | 111.9 | R271 L275 D276 E277 | R271-L273 PolarHBondContact O-N 2.83Å; L273-L275 VanDerWaalsContact C-N 3.35Å; L273-L275 PolarHBondContact O-N 3.14Å; L273-D276 PolarHBondContact O-N 2.99Å; L273-E277 WeakPolarHBondContact O-CB 3.5Å; L273-E277 PolarHBondContact O-N 2.86Å |
| 274 | V | 65.9 | Low | 63.3 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -38 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | L272 F278 | L272-V274 HydrophobicContact CD2-CB 3.75Å; L272-V274 HydrophobicContact CD2-CG2 3.97Å; L272-V274 PolarHBondContact O-N 3.48Å; V274-F278 WeakPolarHBondContact O-CB 3.46Å; V274-F278 PolarHBondContact O-N 3.24Å |
| 275 | L | 70.2 | Confident | 65.9 | Low | 69 Ų | 69 | 95.6 Ų | 95.6 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.7 | -37.2 | 179.1 | -177.4 | 64.8 | 0 | 0 | 0 | 111.5 | L272 L273 K279 | L272-L275 HydrophobicContact CB-CB 4.23Å; L272-L275 WeakPolarHBondContact O-CA 3.29Å; L272-L275 WeakPolarHBondContact O-CB 3.46Å; L272-L275 PolarHBondContact O-N 3.44Å; L273-L275 VanDerWaalsContact C-N 3.35Å; L273-L275 PolarHBondContact O-N 3.14Å; L275-K279 WeakPolarHBondContact O-CB 3.33Å; L275-K279 VanDerWaalsContact O-CG 3.26Å; L275-K279 WeakPolarHBondContact O-CG 3.26Å; L275-K279 PolarHBondContact O-N 2.88Å |
| 276 | D | 72.1 | Confident | 68.3 | Low | 49 Ų | 49 | 96 Ų | 96 | 26% | 0.262 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.6 | -35.6 | 177.1 | -78.7 | -10.2 | 0 | 0 | 0 | 111.7 | R271 L272 L273 K279 M280 | R271-D276 WeakPolarHBondContact CB-OD2 3.36Å; R271-D276 WeakPolarHBondContact CD-OD2 3.32Å; R271-D276 IonicContact NH1-OD2 3.95Å; L272-D276 PolarHBondContact O-N 3.44Å; L273-D276 PolarHBondContact O-N 2.99Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-K279 IonicContact OD1-NZ 3.31Å; D276-K279 PolarHBondContact OD1-NZ 2.77Å; D276-M280 WeakPolarHBondContact O-CB 3.26Å; D276-M280 PolarHBondContact O-N 2.92Å |
| 277 | E | 76.8 | Confident | 70.8 | Confident | 86 Ų | 86 | 87.7 Ų | 87.7 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 169.5 | -171.9 | 171.5 | -173.9 | 0 | 0 | 111.4 | H128 L273 K279 M280 E281 | H128-E277 IonicContact CE1-OE1 3.62Å; L273-E277 WeakPolarHBondContact O-CB 3.5Å; L273-E277 PolarHBondContact O-N 2.86Å; E277-K279 PolarHBondContact O-N 3.27Å; E277-M280 WeakPolarHBondContact O-CB 3.38Å; E277-M280 PolarHBondContact O-N 3.26Å; E277-M280 VanDerWaalsContact O-N 3.13Å; E277-E281 WeakPolarHBondContact O-CG 3.39Å; E277-E281 PolarHBondContact O-N 3.09Å |
| 278 | F | 79.1 | Confident | 73.3 | Confident | 77 Ų | 77 | 80.3 Ų | 80.3 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.9 | -178.4 | -100.2 | 0 | 0 | 0 | 113 | I125 V274 M280 E281 K282 | I125-F278 HydrophobicContact CG2-CE2 4.08Å; I125-F278 HydrophobicContact CG2-CZ 4.45Å; V274-F278 WeakPolarHBondContact O-CB 3.46Å; V274-F278 PolarHBondContact O-N 3.24Å; F278-M280 VanDerWaalsContact C-N 3.28Å; F278-M280 PolarHBondContact O-N 2.87Å; F278-E281 PolarHBondContact O-N 3.34Å; F278-K282 PolarHBondContact O-N 2.94Å |
| 279 | K | 81 | Confident | 75.6 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 174.8 | -75.8 | 169.7 | -171.8 | 161.9 | 0 | 111.6 | L275 D276 E277 R283 | L275-K279 WeakPolarHBondContact O-CB 3.33Å; L275-K279 VanDerWaalsContact O-CG 3.26Å; L275-K279 WeakPolarHBondContact O-CG 3.26Å; L275-K279 PolarHBondContact O-N 2.88Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-K279 IonicContact OD1-NZ 3.31Å; D276-K279 PolarHBondContact OD1-NZ 2.77Å; E277-K279 PolarHBondContact O-N 3.27Å; K279-R283 PolarHBondContact O-N 2.74Å; K279-R283 VanDerWaalsContact O-N 3.07Å |
| 280 | M | 82.2 | Confident | 78 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 175.9 | -179.9 | 153.1 | 60.5 | 0 | 0 | 110.9 | D276 E277 F278 K282 R283 I284 | D276-M280 WeakPolarHBondContact O-CB 3.26Å; D276-M280 PolarHBondContact O-N 2.92Å; E277-M280 WeakPolarHBondContact O-CB 3.38Å; E277-M280 PolarHBondContact O-N 3.26Å; E277-M280 VanDerWaalsContact O-N 3.13Å; F278-M280 VanDerWaalsContact C-N 3.28Å; F278-M280 PolarHBondContact O-N 2.87Å; M280-K282 VanDerWaalsContact C-N 3.28Å; M280-K282 PolarHBondContact O-N 2.96Å; M280-R283 WeakPolarHBondContact O-CB 3.45Å; M280-R283 PolarHBondContact O-N 3.23Å; M280-I284 HydrophobicContact CG-CD1 3.79Å; M280-I284 HydrophobicContact CG-CG1 4.39Å; M280-I284 WeakPolarHBondContact O-CG1 3.48Å; M280-I284 PolarHBondContact O-N 2.93Å |
| 281 | E | 85.5 | Confident | 80.2 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 176.4 | -71 | -57.2 | 137.1 | 0 | 0 | 112.2 | R121 I125 E277 F278 I284 G285 | R121-E281 IonicContact CZ-OE2 3.69Å; R121-E281 IonicContact NH1-OE2 3.77Å; R121-E281 PolarHBondContact NH1-OE2 3.41Å; I125-E281 HydrophobicContact CG1-CB 4.48Å; E277-E281 WeakPolarHBondContact O-CG 3.39Å; E277-E281 PolarHBondContact O-N 3.09Å; F278-E281 PolarHBondContact O-N 3.34Å; E281-I284 PolarHBondContact O-N 3.28Å; E281-G285 PolarHBondContact O-N 3.48Å |
| 282 | K | 85.6 | Confident | 82.4 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 27% | 0.274 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 174.1 | -179.1 | 174.2 | 175.1 | 170.3 | 0 | 113 | V211 R215 F278 M280 G285 K286 | V211-K282 HydrophobicContact CG1-CD 3.77Å; V211-K282 VanDerWaalsContact CG1-CE 3.42Å; V211-K282 HydrophobicContact CG1-CG 4.31Å; R215-K282 VanDerWaalsContact CZ-NZ 3.31Å; F278-K282 PolarHBondContact O-N 2.94Å; M280-K282 VanDerWaalsContact C-N 3.28Å; M280-K282 PolarHBondContact O-N 2.96Å; K282-G285 PolarHBondContact O-N 3.27Å; K282-K286 PolarHBondContact O-N 2.96Å |
| 283 | R | 86.8 | Confident | 84.1 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.6 | -174.6 | -173.5 | -62.6 | 167.9 | 1.7 | 110.6 | K279 M280 K286 M287 | K279-R283 PolarHBondContact O-N 2.74Å; K279-R283 VanDerWaalsContact O-N 3.07Å; M280-R283 WeakPolarHBondContact O-CB 3.45Å; M280-R283 PolarHBondContact O-N 3.23Å; R283-K286 PolarHBondContact O-N 3.42Å; R283-M287 PolarHBondContact O-N 3.48Å |
| 284 | I | 88.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.5 | -66.2 | 170.7 | 0 | 0 | 0 | 109.9 | P57 Y58 M280 E281 K286 M287 Y288 | P57-I284 HydrophobicContact CB-CG2 4.08Å; P57-I284 HydrophobicContact CG-CG2 4.32Å; Y58-I284 HydrophobicContact CE2-CD1 4.41Å; M280-I284 HydrophobicContact CG-CD1 3.79Å; M280-I284 HydrophobicContact CG-CG1 4.39Å; M280-I284 WeakPolarHBondContact O-CG1 3.48Å; M280-I284 PolarHBondContact O-N 2.93Å; E281-I284 PolarHBondContact O-N 3.28Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 2.94Å; I284-M287 WeakPolarHBondContact O-CB 3.25Å; I284-M287 PolarHBondContact O-N 3.33Å; I284-M287 VanDerWaalsContact O-N 3.11Å; I284-Y288 HydrophobicContact CG2-CD2 3.81Å; I284-Y288 HydrophobicContact CG2-CE2 3.51Å; I284-Y288 VanDerWaalsContact O-CD2 3.25Å; I284-Y288 WeakPolarHBondContact O-CD2 3.35Å; I284-Y288 PolarHBondContact O-N 3.34Å; I284-Y288 VanDerWaalsContact O-N 3.08Å |
| 285 | G | 89.9 | Confident | 87 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | E281 K282 Y288 Y289 | E281-G285 PolarHBondContact O-N 3.48Å; K282-G285 PolarHBondContact O-N 3.27Å; G285-Y288 PolarHBondContact O-N 3.22Å; G285-Y289 WeakPolarHBondContact O-CB 3.3Å; G285-Y289 PolarHBondContact O-N 3.38Å |
| 286 | K | 89.4 | Confident | 88.1 | Confident | 120 Ų | 120 | 44.8 Ų | 44.8 | 52% | 0.522 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 173.6 | -176.5 | -179.6 | 177.2 | -179.2 | 0 | 111.8 | K282 R283 I284 Y289 M290 | K282-K286 PolarHBondContact O-N 2.96Å; R283-K286 PolarHBondContact O-N 3.42Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 2.94Å; K286-Y289 PolarHBondContact O-N 3.39Å; K286-M290 WeakPolarHBondContact O-CG 3.44Å; K286-M290 PolarHBondContact O-N 3.19Å |
| 287 | M | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -51.7 | 177.7 | 179.3 | -169.3 | 80.7 | 0 | 0 | 111.1 | L61 R283 I284 Y289 M290 I291 C340 F343 N344 | L61-M287 HydrophobicContact CD2-CE 4.42Å; R283-M287 PolarHBondContact O-N 3.48Å; I284-M287 WeakPolarHBondContact O-CB 3.25Å; I284-M287 PolarHBondContact O-N 3.33Å; I284-M287 VanDerWaalsContact O-N 3.11Å; M287-Y289 VanDerWaalsContact C-N 3.32Å; M287-Y289 PolarHBondContact O-N 3.06Å; M287-M290 WeakPolarHBondContact O-CB 3.36Å; M287-M290 PolarHBondContact O-N 2.96Å; M287-M290 VanDerWaalsContact O-N 3.1Å; M287-I291 HydrophobicContact CG-CD1 4.41Å; M287-I291 WeakPolarHBondContact O-CG1 3.41Å; M287-I291 PolarHBondContact O-N 3.16Å; M287-C340 HydrophobicContact SD-CB 4.36Å; M287-F343 HydrophobicContact CB-CB 4.05Å; M287-F343 HydrophobicContact CG-CB 4.1Å; M287-N344 HydrophobicContact SD-CB 3.73Å |
| 288 | Y | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 178.3 | -74.3 | -73.2 | 0 | 0 | 0 | 113.4 | P57 L61 V117 R121 I284 G285 M290 I291 T292 | P57-Y288 HydrophobicContact CB-CE2 3.7Å; P57-Y288 PolarHBondContact O-OH 3.04Å; L61-Y288 HydrophobicContact CB-CE1 4.33Å; L61-Y288 WeakPolarHBondContact CB-OH 3.3Å; L61-Y288 HydrophobicContact CD1-CE1 4.46Å; V117-Y288 HydrophobicContact CG1-CD1 3.4Å; V117-Y288 VanDerWaalsContact CG1-CD1 3.4Å; V117-Y288 HydrophobicContact CG1-CD2 4.19Å; V117-Y288 HydrophobicContact CG1-CE1 3.93Å; V117-Y288 HydrophobicContact CG1-CG 3.55Å; R121-Y288 HydrophobicContact CG-CD2 4.11Å; R121-Y288 HydrophobicContact CG-CG 4.5Å; I284-Y288 HydrophobicContact CG2-CD2 3.81Å; I284-Y288 HydrophobicContact CG2-CE2 3.51Å; I284-Y288 VanDerWaalsContact O-CD2 3.25Å; I284-Y288 WeakPolarHBondContact O-CD2 3.35Å; I284-Y288 PolarHBondContact O-N 3.34Å; I284-Y288 VanDerWaalsContact O-N 3.08Å; G285-Y288 PolarHBondContact O-N 3.22Å; Y288-M290 VanDerWaalsContact C-N 3.31Å; Y288-M290 PolarHBondContact O-N 3.09Å; Y288-I291 HydrophobicContact CD1-CD1 4.07Å; Y288-I291 HydrophobicContact CE1-CD1 4.46Å; Y288-I291 WeakPolarHBondContact O-CB 3.35Å; Y288-I291 PolarHBondContact O-N 3.41Å; Y288-T292 WeakPolarHBondContact O-CG2 3.4Å; Y288-T292 PolarHBondContact O-N 3.34Å; Y288-T292 PolarHBondContact O-OG1 3.42Å |
| 289 | Y | 93.1 | Very high | 90.7 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 172.5 | 175.2 | -109.6 | 0 | 0 | 0 | 112.3 | Y204 L208 G285 K286 M287 I291 T292 L293 | Y204-Y289 AromaticContact CD1-CD2 3.81Å; Y204-Y289 HydrophobicContact CD1-CD2 3.81Å; Y204-Y289 HydrophobicContact CD1-CG 4.33Å; Y204-Y289 HydrophobicContact CD2-CD2 4.28Å; Y204-Y289 AromaticContact CG-CD2 3.67Å; Y204-Y289 HydrophobicContact CG-CD2 3.67Å; Y204-Y289 HydrophobicContact CG-CE2 4.41Å; L208-Y289 HydrophobicContact CD1-CD1 4.37Å; L208-Y289 HydrophobicContact CD1-CD2 4.41Å; L208-Y289 HydrophobicContact CD1-CE1 4.05Å; L208-Y289 HydrophobicContact CD1-CE2 4.09Å; G285-Y289 WeakPolarHBondContact O-CB 3.3Å; G285-Y289 PolarHBondContact O-N 3.38Å; K286-Y289 PolarHBondContact O-N 3.39Å; M287-Y289 VanDerWaalsContact C-N 3.32Å; M287-Y289 PolarHBondContact O-N 3.06Å; Y289-I291 VanDerWaalsContact C-N 3.33Å; Y289-T292 WeakPolarHBondContact CA-OG1 3.3Å; Y289-T292 PolarHBondContact O-N 2.9Å; Y289-T292 PolarHBondContact O-OG1 3.45Å; Y289-L293 HydrophobicContact CE1-CD2 4.5Å; Y289-L293 VanDerWaalsContact O-CB 3.3Å; Y289-L293 WeakPolarHBondContact O-CB 3.48Å; Y289-L293 PolarHBondContact O-N 3.23Å |
| 290 | M | 93.1 | Very high | 91.2 | Very high | 56 Ų | 56 | 40 Ų | 40 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 174.7 | -64 | -58.7 | -60.1 | 0 | 0 | 111.7 | K286 M287 Y288 L293 A294 I339 F343 | K286-M290 WeakPolarHBondContact O-CG 3.44Å; K286-M290 PolarHBondContact O-N 3.19Å; M287-M290 WeakPolarHBondContact O-CB 3.36Å; M287-M290 PolarHBondContact O-N 2.96Å; M287-M290 VanDerWaalsContact O-N 3.1Å; Y288-M290 VanDerWaalsContact C-N 3.31Å; Y288-M290 PolarHBondContact O-N 3.09Å; M290-L293 PolarHBondContact O-N 3.22Å; M290-A294 WeakPolarHBondContact O-CB 3.3Å; M290-A294 PolarHBondContact O-N 2.86Å; M290-I339 HydrophobicContact CB-CG2 3.8Å; M290-F343 HydrophobicContact CB-CD2 4.19Å; M290-F343 HydrophobicContact CB-CE2 3.97Å; M290-F343 HydrophobicContact CB-CZ 4.37Å; M290-F343 HydrophobicContact CE-CE2 4.11Å; M290-F343 HydrophobicContact CE-CZ 3.74Å; M290-F343 HydrophobicContact CG-CD1 4.26Å; M290-F343 HydrophobicContact CG-CD2 4.13Å; M290-F343 HydrophobicContact CG-CE1 3.91Å; M290-F343 HydrophobicContact CG-CE2 3.77Å; M290-F343 HydrophobicContact CG-CG 4.38Å; M290-F343 HydrophobicContact CG-CZ 3.66Å; M290-F343 HydrophobicContact SD-CZ 4.17Å |
| 291 | I | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 173.8 | -65.1 | 171.3 | 0 | 0 | 0 | 110.5 | L61 L114 M287 Y288 Y289 A294 F295 N336 I339 | L61-I291 HydrophobicContact CD1-CD1 4.39Å; L114-I291 HydrophobicContact CD2-CG2 4.1Å; M287-I291 HydrophobicContact CG-CD1 4.41Å; M287-I291 WeakPolarHBondContact O-CG1 3.41Å; M287-I291 PolarHBondContact O-N 3.16Å; Y288-I291 HydrophobicContact CD1-CD1 4.07Å; Y288-I291 HydrophobicContact CE1-CD1 4.46Å; Y288-I291 WeakPolarHBondContact O-CB 3.35Å; Y288-I291 PolarHBondContact O-N 3.41Å; Y289-I291 VanDerWaalsContact C-N 3.33Å; I291-A294 PolarHBondContact O-N 2.88Å; I291-F295 PolarHBondContact O-N 3.35Å; I291-N336 WeakPolarHBondContact CG2-OD1 3.3Å; I291-I339 HydrophobicContact CG1-CB 4.07Å; I291-I339 HydrophobicContact CG1-CD1 4.36Å; I291-I339 HydrophobicContact CG1-CG2 3.6Å |
| 292 | T | 94 | Very high | 92 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.3 | -34.6 | -179.9 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | L114 T200 Y204 Y288 Y289 F295 L296 | L114-T292 HydrophobicContact CB-CG2 3.86Å; L114-T292 HydrophobicContact CD1-CG2 3.98Å; L114-T292 HydrophobicContact CD2-CG2 3.79Å; L114-T292 HydrophobicContact CG-CG2 4.05Å; T200-T292 HydrophobicContact CG2-CG2 4.47Å; Y204-T292 HydrophobicContact CD2-CG2 4.35Å; Y204-T292 HydrophobicContact CE2-CG2 3.36Å; Y204-T292 VanDerWaalsContact CE2-OG1 3.28Å; Y204-T292 WeakPolarHBondContact CE2-OG1 3.42Å; Y288-T292 WeakPolarHBondContact O-CG2 3.4Å; Y288-T292 PolarHBondContact O-N 3.34Å; Y288-T292 PolarHBondContact O-OG1 3.42Å; Y289-T292 WeakPolarHBondContact CA-OG1 3.3Å; Y289-T292 PolarHBondContact O-N 2.9Å; Y289-T292 PolarHBondContact O-OG1 3.45Å; T292-F295 WeakPolarHBondContact O-CB 3.45Å; T292-F295 PolarHBondContact O-N 3.47Å; T292-L296 PolarHBondContact O-N 3.3Å; T292-L296 VanDerWaalsContact O-N 3.12Å |
| 293 | L | 93.3 | Very high | 92.2 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 173.4 | -175.7 | 63.6 | 0 | 0 | 0 | 111.7 | Y289 M290 F295 L296 I297 | Y289-L293 HydrophobicContact CE1-CD2 4.5Å; Y289-L293 VanDerWaalsContact O-CB 3.3Å; Y289-L293 WeakPolarHBondContact O-CB 3.48Å; Y289-L293 PolarHBondContact O-N 3.23Å; M290-L293 PolarHBondContact O-N 3.22Å; L293-F295 VanDerWaalsContact C-N 3.33Å; L293-F295 PolarHBondContact O-N 3.27Å; L293-L296 PolarHBondContact O-N 2.85Å; L293-I297 HydrophobicContact CD1-CD1 4.32Å; L293-I297 HydrophobicContact CG-CD1 3.95Å; L293-I297 WeakPolarHBondContact O-CG1 3.33Å; L293-I297 PolarHBondContact O-N 3.1Å |
| 294 | A | 94.2 | Very high | 92.3 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M290 I291 L296 I297 L298 Q332 I339 | M290-A294 WeakPolarHBondContact O-CB 3.3Å; M290-A294 PolarHBondContact O-N 2.86Å; I291-A294 PolarHBondContact O-N 2.88Å; A294-L296 PolarHBondContact O-N 3.42Å; A294-I297 PolarHBondContact O-N 3.18Å; A294-L298 WeakPolarHBondContact O-CB 3.39Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 3.16Å; A294-Q332 PolarHBondContact O-OE1 3.49Å; A294-I339 HydrophobicContact CB-CD1 3.4Å; A294-I339 VanDerWaalsContact CB-CD1 3.4Å |
| 295 | F | 93.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.3 | -50.1 | 172 | 178.4 | -93 | 0 | 0 | 0 | 111.4 | V110 L114 V197 I291 T292 L293 I297 L298 W299 Q332 | V110-F295 HydrophobicContact CG1-CD2 4.2Å; V110-F295 HydrophobicContact CG1-CE2 3.46Å; V110-F295 VanDerWaalsContact CG1-CE2 3.46Å; V110-F295 HydrophobicContact CG1-CZ 4.1Å; V110-F295 HydrophobicContact CG2-CD2 4.2Å; V110-F295 HydrophobicContact CG2-CE2 4.26Å; L114-F295 HydrophobicContact CD1-CB 3.79Å; L114-F295 HydrophobicContact CD1-CD1 4.15Å; L114-F295 HydrophobicContact CD1-CD2 4.19Å; L114-F295 HydrophobicContact CD1-CG 3.77Å; V197-F295 HydrophobicContact CG2-CE1 3.91Å; I291-F295 PolarHBondContact O-N 3.35Å; T292-F295 WeakPolarHBondContact O-CB 3.45Å; T292-F295 PolarHBondContact O-N 3.47Å; L293-F295 VanDerWaalsContact C-N 3.33Å; L293-F295 PolarHBondContact O-N 3.27Å; F295-I297 PolarHBondContact O-N 3.32Å; F295-L298 PolarHBondContact O-N 2.84Å; F295-W299 AromaticContact CD2-CD1 3.5Å; F295-W299 VanDerWaalsContact CD2-CD1 3.5Å; F295-W299 HydrophobicContact CD2-CG 4.31Å; F295-W299 AromaticContact CD2-NE1 3.53Å; F295-W299 HydrophobicContact CE1-CG 4.42Å; F295-W299 AromaticContact CE2-CD1 3.45Å; F295-W299 VanDerWaalsContact CE2-CD1 3.45Å; F295-W299 HydrophobicContact CE2-CD2 4.08Å; F295-W299 AromaticContact CE2-CE2 3.66Å; F295-W299 AromaticContact CE2-CG 3.95Å; F295-W299 HydrophobicContact CE2-CG 3.95Å; F295-W299 HydrophobicContact CE2-CZ2 4.36Å; F295-W299 AromaticContact CE2-NE1 3.24Å; F295-W299 AromaticContact CZ-CD1 3.96Å; F295-W299 HydrophobicContact CZ-CD2 4.13Å; F295-W299 HydrophobicContact CZ-CG 4.01Å; F295-W299 VanDerWaalsContact O-CB 3.27Å; F295-W299 WeakPolarHBondContact O-CB 3.3Å; F295-W299 PolarHBondContact O-N 3.04Å; F295-Q332 VanDerWaalsContact CA-OE1 3.31Å; F295-Q332 HydrophobicContact CD2-CG 4.23Å |
| 296 | L | 92.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 177.5 | -179.4 | 69.5 | 0 | 0 | 0 | 112.1 | V197 T292 L293 A294 W299 A300 | V197-L296 HydrophobicContact CG1-CD1 3.72Å; T292-L296 PolarHBondContact O-N 3.3Å; T292-L296 VanDerWaalsContact O-N 3.12Å; L293-L296 PolarHBondContact O-N 2.85Å; A294-L296 PolarHBondContact O-N 3.42Å; L296-W299 PolarHBondContact O-N 2.86Å; L296-A300 WeakPolarHBondContact O-CA 3.31Å; L296-A300 WeakPolarHBondContact O-CB 3.5Å; L296-A300 PolarHBondContact O-N 3.31Å |
| 297 | I | 94.5 | Very high | 92 | Very high | 103 Ų | 103 | 30.6 Ų | 30.6 | 53% | 0.528 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.2 | -44.1 | -176.4 | -68.8 | 167.8 | 0 | 0 | 0 | 111.2 | L293 A294 F295 P301 | L293-I297 HydrophobicContact CD1-CD1 4.32Å; L293-I297 HydrophobicContact CG-CD1 3.95Å; L293-I297 WeakPolarHBondContact O-CG1 3.33Å; L293-I297 PolarHBondContact O-N 3.1Å; A294-I297 PolarHBondContact O-N 3.18Å; F295-I297 PolarHBondContact O-N 3.32Å; I297-P301 VanDerWaalsContact O-CD 3.28Å; I297-P301 WeakPolarHBondContact O-CD 3.28Å |
| 298 | L | 94.8 | Very high | 91.7 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.9 | -26.7 | -177.6 | -71.8 | 170.5 | 0 | 0 | 0 | 112.7 | A294 F295 M328 V331 Q332 A335 | A294-L298 WeakPolarHBondContact O-CB 3.39Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 3.16Å; F295-L298 PolarHBondContact O-N 2.84Å; L298-M328 HydrophobicContact CD2-CB 4.04Å; L298-M328 HydrophobicContact CD2-CG 4.26Å; L298-M328 VanDerWaalsContact O-CB 3.3Å; L298-M328 WeakPolarHBondContact O-CB 3.49Å; L298-V331 HydrophobicContact CD1-CG1 4.48Å; L298-V331 HydrophobicContact CD2-CG1 4.35Å; L298-Q332 HydrophobicContact CB-CB 4.38Å; L298-Q332 HydrophobicContact CD1-CB 4.15Å; L298-A335 HydrophobicContact CD1-CB 4.2Å |
| 299 | W | 92.8 | Very high | 91.2 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -93.2 | -24.6 | 177.8 | -77.5 | 76.8 | 0 | 0 | 0 | 114.4 | C107 F295 L296 Y302 I303 T329 | C107-W299 HydrophobicContact CB-CH2 3.91Å; C107-W299 WeakPolarHBondContact SG-CH2 3.3Å; C107-W299 WeakPolarHBondContact SG-CZ3 3.36Å; F295-W299 AromaticContact CD2-CD1 3.5Å; F295-W299 VanDerWaalsContact CD2-CD1 3.5Å; F295-W299 HydrophobicContact CD2-CG 4.31Å; F295-W299 AromaticContact CD2-NE1 3.53Å; F295-W299 HydrophobicContact CE1-CG 4.42Å; F295-W299 AromaticContact CE2-CD1 3.45Å; F295-W299 VanDerWaalsContact CE2-CD1 3.45Å; F295-W299 HydrophobicContact CE2-CD2 4.08Å; F295-W299 AromaticContact CE2-CE2 3.66Å; F295-W299 AromaticContact CE2-CG 3.95Å; F295-W299 HydrophobicContact CE2-CG 3.95Å; F295-W299 HydrophobicContact CE2-CZ2 4.36Å; F295-W299 AromaticContact CE2-NE1 3.24Å; F295-W299 AromaticContact CZ-CD1 3.96Å; F295-W299 HydrophobicContact CZ-CD2 4.13Å; F295-W299 HydrophobicContact CZ-CG 4.01Å; F295-W299 VanDerWaalsContact O-CB 3.27Å; F295-W299 WeakPolarHBondContact O-CB 3.3Å; F295-W299 PolarHBondContact O-N 3.04Å; L296-W299 PolarHBondContact O-N 2.86Å; W299-Y302 HydrophobicContact CE3-CD1 4.17Å; W299-Y302 HydrophobicContact CZ3-CD1 4.15Å; W299-Y302 HydrophobicContact CZ3-CE1 4.4Å; W299-Y302 PolarHBondContact O-N 3.01Å; W299-Y302 VanDerWaalsContact O-N 3.12Å; W299-I303 HydrophobicContact CB-CD1 4.03Å; W299-I303 HydrophobicContact CB-CG1 4.5Å; W299-I303 WeakPolarHBondContact O-CG1 3.31Å; W299-I303 PolarHBondContact O-N 2.92Å; W299-T329 HydrophobicContact CD2-CG2 4.16Å; W299-T329 HydrophobicContact CE3-CG2 4.1Å; W299-T329 HydrophobicContact CZ3-CG2 4.31Å |
| 300 | A | 92.1 | Very high | 90.7 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.4 | -45.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L296 Y302 I303 V304 | L296-A300 WeakPolarHBondContact O-CA 3.31Å; L296-A300 WeakPolarHBondContact O-CB 3.5Å; L296-A300 PolarHBondContact O-N 3.31Å; A300-Y302 VanDerWaalsContact C-N 3.3Å; A300-Y302 PolarHBondContact O-N 3.43Å; A300-I303 PolarHBondContact O-N 2.92Å; A300-V304 VanDerWaalsContact O-CG2 3.27Å; A300-V304 WeakPolarHBondContact O-CG2 3.27Å; A300-V304 PolarHBondContact O-N 3.38Å |
| 301 | P | 93.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 17% | 0.169 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 179.7 | -27.1 | 39.9 | 0 | 0 | 0 | 112.4 | I297 T305 Y321 A325 M328 | I297-P301 VanDerWaalsContact O-CD 3.28Å; I297-P301 WeakPolarHBondContact O-CD 3.28Å; P301-T305 PolarHBondContact O-N 3.25Å; P301-Y321 PolarHBondContact O-OH 3.31Å; P301-A325 HydrophobicContact CB-CB 4.06Å; P301-M328 HydrophobicContact CB-CE 3.43Å; P301-M328 VanDerWaalsContact CB-CE 3.43Å; P301-M328 HydrophobicContact CG-CE 3.35Å; P301-M328 HydrophobicContact CG-SD 4.03Å |
| 302 | Y | 91 | Very high | 89.6 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -44.7 | 176.5 | -177 | -106.5 | 0 | 0 | 0 | 111.7 | E171 I175 W299 A300 V304 T305 C306 V326 T329 | E171-Y302 PolarHBondContact OE2-OH 3.47Å; I175-Y302 WeakPolarHBondContact CD1-OH 3.36Å; W299-Y302 HydrophobicContact CE3-CD1 4.17Å; W299-Y302 HydrophobicContact CZ3-CD1 4.15Å; W299-Y302 HydrophobicContact CZ3-CE1 4.4Å; W299-Y302 PolarHBondContact O-N 3.01Å; W299-Y302 VanDerWaalsContact O-N 3.12Å; A300-Y302 VanDerWaalsContact C-N 3.3Å; A300-Y302 PolarHBondContact O-N 3.43Å; Y302-V304 VanDerWaalsContact C-N 3.27Å; Y302-V304 PolarHBondContact O-N 3.49Å; Y302-T305 WeakPolarHBondContact CA-OG1 3.2Å; Y302-T305 PolarHBondContact O-N 3.35Å; Y302-T305 PolarHBondContact O-OG1 3.31Å; Y302-C306 PolarHBondContact O-N 3.46Å; Y302-C306 PolarHBondContact O-SG 2.98Å; Y302-V326 HydrophobicContact CD2-CG2 4.11Å; Y302-V326 HydrophobicContact CE2-CG2 4.07Å; Y302-T329 HydrophobicContact CD1-CG2 4.06Å; Y302-T329 HydrophobicContact CD2-CG2 4.48Å; Y302-T329 HydrophobicContact CG-CG2 3.81Å |
| 303 | I | 89.2 | Confident | 88.6 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 14% | 0.138 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -42.4 | 175.3 | -69.1 | 170.6 | 0 | 0 | 0 | 110.8 | M190 W299 A300 C306 Y307 | M190-I303 HydrophobicContact CE-CG2 4.26Å; W299-I303 HydrophobicContact CB-CD1 4.03Å; W299-I303 HydrophobicContact CB-CG1 4.5Å; W299-I303 WeakPolarHBondContact O-CG1 3.31Å; W299-I303 PolarHBondContact O-N 2.92Å; A300-I303 PolarHBondContact O-N 2.92Å; I303-C306 PolarHBondContact O-N 3.39Å; I303-Y307 HydrophobicContact CG2-CD2 3.62Å; I303-Y307 HydrophobicContact CG2-CE2 3.49Å; I303-Y307 VanDerWaalsContact CG2-CE2 3.49Å; I303-Y307 VanDerWaalsContact O-CD2 3.23Å; I303-Y307 WeakPolarHBondContact O-CD2 3.33Å; I303-Y307 PolarHBondContact O-N 3.46Å |
| 304 | V | 89.6 | Confident | 87.3 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 42% | 0.418 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | A300 Y302 C306 Y307 I308 | A300-V304 VanDerWaalsContact O-CG2 3.27Å; A300-V304 WeakPolarHBondContact O-CG2 3.27Å; A300-V304 PolarHBondContact O-N 3.38Å; Y302-V304 VanDerWaalsContact C-N 3.27Å; Y302-V304 PolarHBondContact O-N 3.49Å; V304-C306 VanDerWaalsContact C-N 3.32Å; V304-C306 PolarHBondContact O-N 3.28Å; V304-Y307 PolarHBondContact O-N 2.92Å; V304-I308 HydrophobicContact CG1-CD1 3.81Å; V304-I308 HydrophobicContact CG1-CG1 4.4Å; V304-I308 VanDerWaalsContact O-CG1 3.32Å; V304-I308 WeakPolarHBondContact O-CG1 3.38Å; V304-I308 PolarHBondContact O-N 3.48Å |
| 305 | T | 88.2 | Confident | 86 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 174.9 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | P301 Y302 Y307 I308 R309 I317 Y321 L322 A325 | P301-T305 PolarHBondContact O-N 3.25Å; Y302-T305 WeakPolarHBondContact CA-OG1 3.2Å; Y302-T305 PolarHBondContact O-N 3.35Å; Y302-T305 PolarHBondContact O-OG1 3.31Å; T305-Y307 PolarHBondContact O-N 2.73Å; T305-I308 PolarHBondContact O-N 3.49Å; T305-R309 WeakPolarHBondContact O-CG 3.42Å; T305-R309 PolarHBondContact O-N 3.35Å; T305-I317 HydrophobicContact CG2-CD1 4.33Å; T305-I317 HydrophobicContact CG2-CG2 4.3Å; T305-Y321 HydrophobicContact CG2-CD1 3.62Å; T305-Y321 HydrophobicContact CG2-CE1 3.24Å; T305-L322 HydrophobicContact CG2-CD1 4.38Å; T305-A325 HydrophobicContact CG2-CB 4.33Å |
| 306 | C | 85.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 178.2 | -65 | 0 | 0 | 0 | 0 | 111.3 | H178 M190 Y302 I303 V304 R309 V310 | H178-C306 PolarHBondContact CE1-SG 3.09Å; M190-C306 HydrophobicContact CE-CB 3.31Å; M190-C306 HydrophobicContact SD-CB 3.85Å; Y302-C306 PolarHBondContact O-N 3.46Å; Y302-C306 PolarHBondContact O-SG 2.98Å; I303-C306 PolarHBondContact O-N 3.39Å; V304-C306 VanDerWaalsContact C-N 3.32Å; V304-C306 PolarHBondContact O-N 3.28Å; C306-R309 PolarHBondContact O-N 3.27Å; C306-V310 VanDerWaalsContact O-CG2 3.31Å; C306-V310 WeakPolarHBondContact O-CG2 3.1Å; C306-V310 PolarHBondContact O-N 3.47Å |
| 307 | Y | 86.3 | Confident | 84.7 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.9 | -83.7 | -62.4 | 0 | 0 | 0 | 113.1 | M190 A194 I303 V304 T305 R309 V310 F311 | M190-Y307 HydrophobicContact CB-CE1 4.13Å; M190-Y307 HydrophobicContact CE-CD2 4.12Å; M190-Y307 HydrophobicContact CE-CE2 4.03Å; M190-Y307 HydrophobicContact CE-CG 4.5Å; M190-Y307 PolarHBondContact O-OH 2.68Å; A194-Y307 WeakPolarHBondContact CB-OH 3.45Å; I303-Y307 HydrophobicContact CG2-CD2 3.62Å; I303-Y307 HydrophobicContact CG2-CE2 3.49Å; I303-Y307 VanDerWaalsContact CG2-CE2 3.49Å; I303-Y307 VanDerWaalsContact O-CD2 3.23Å; I303-Y307 WeakPolarHBondContact O-CD2 3.33Å; I303-Y307 PolarHBondContact O-N 3.46Å; V304-Y307 PolarHBondContact O-N 2.92Å; T305-Y307 PolarHBondContact O-N 2.73Å; Y307-R309 VanDerWaalsContact C-N 3.34Å; Y307-R309 PolarHBondContact O-N 3.1Å; Y307-V310 PolarHBondContact O-N 3.46Å; Y307-F311 HydrophobicContact CD1-CD2 4.06Å; Y307-F311 AromaticContact CD1-CE2 3.55Å; Y307-F311 HydrophobicContact CD1-CE2 3.55Å; Y307-F311 HydrophobicContact CE1-CE2 4.13Å; Y307-F311 VanDerWaalsContact O-CD2 3.31Å; Y307-F311 WeakPolarHBondContact O-CD2 3.37Å; Y307-F311 PolarHBondContact O-N 3.45Å |
| 308 | I | 86.3 | Confident | 84.4 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.3 | -68.4 | 168 | 0 | 0 | 0 | 110.2 | V304 T305 V310 F311 V312 I317 | V304-I308 HydrophobicContact CG1-CD1 3.81Å; V304-I308 HydrophobicContact CG1-CG1 4.4Å; V304-I308 VanDerWaalsContact O-CG1 3.32Å; V304-I308 WeakPolarHBondContact O-CG1 3.38Å; V304-I308 PolarHBondContact O-N 3.48Å; T305-I308 PolarHBondContact O-N 3.49Å; I308-V310 VanDerWaalsContact C-N 3.29Å; I308-V310 PolarHBondContact O-N 2.94Å; I308-F311 PolarHBondContact O-N 2.63Å; I308-V312 HydrophobicContact CG2-CB 4.29Å; I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CA 3.45Å; I308-V312 WeakPolarHBondContact O-CB 3.03Å; I308-V312 PolarHBondContact O-N 2.98Å; I308-I317 HydrophobicContact CB-CD1 4.35Å; I308-I317 HydrophobicContact CG2-CD1 4.1Å; I308-I317 HydrophobicContact CG2-CG1 4.19Å |
| 309 | R | 82.3 | Confident | 84 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 177 | -74.3 | 178.5 | 171.3 | -172.2 | -5.1 | 113.1 | E170 E171 H178 T305 C306 Y307 I317 | E170-R309 IonicContact OE2-CZ 2.85Å; E170-R309 IonicContact OE2-NH2 3.39Å; E170-R309 PolarHBondContact OE2-NH2 3.06Å; E171-R309 IonicContact OE1-CZ 3.05Å; E171-R309 IonicContact OE1-NH1 3.17Å; E171-R309 PolarHBondContact OE1-NH1 3.23Å; H178-R309 HydrophobicContact CB-CB 4.37Å; T305-R309 WeakPolarHBondContact O-CG 3.42Å; T305-R309 PolarHBondContact O-N 3.35Å; C306-R309 PolarHBondContact O-N 3.27Å; Y307-R309 VanDerWaalsContact C-N 3.34Å; Y307-R309 PolarHBondContact O-N 3.1Å; R309-I317 HydrophobicContact CG-CD1 3.71Å |
| 310 | V | 82.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.2 | -49.5 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111 | H178 Y180 V181 L187 C306 Y307 I308 | H178-V310 HydrophobicContact CB-CG2 4.29Å; Y180-V310 VanDerWaalsContact CD2-O 3.24Å; Y180-V310 WeakPolarHBondContact CD2-O 3.21Å; V181-V310 HydrophobicContact CG2-CG1 4.07Å; V181-V310 WeakPolarHBondContact CG2-O 3.27Å; V181-V310 PolarHBondContact N-O 3.11Å; L187-V310 HydrophobicContact CD1-CG1 4.33Å; C306-V310 VanDerWaalsContact O-CG2 3.31Å; C306-V310 WeakPolarHBondContact O-CG2 3.1Å; C306-V310 PolarHBondContact O-N 3.47Å; Y307-V310 PolarHBondContact O-N 3.46Å; I308-V310 VanDerWaalsContact C-N 3.29Å; I308-V310 PolarHBondContact O-N 2.94Å |
| 311 | F | 82.8 | Confident | 83.8 | Confident | 114 Ų | 114 | 63 Ų | 63 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -89 | -29.7 | -170.7 | -72.5 | -64.4 | 0 | 0 | 0 | 115.3 | V181 L187 Y307 I308 | V181-F311 HydrophobicContact CG2-CD1 4.4Å; L187-F311 HydrophobicContact CD1-CE1 4.1Å; L187-F311 HydrophobicContact CD1-CZ 4.14Å; Y307-F311 HydrophobicContact CD1-CD2 4.06Å; Y307-F311 AromaticContact CD1-CE2 3.55Å; Y307-F311 HydrophobicContact CD1-CE2 3.55Å; Y307-F311 HydrophobicContact CE1-CE2 4.13Å; Y307-F311 VanDerWaalsContact O-CD2 3.31Å; Y307-F311 WeakPolarHBondContact O-CD2 3.37Å; Y307-F311 PolarHBondContact O-N 3.45Å; I308-F311 PolarHBondContact O-N 2.63Å |
| 312 | V | 81.7 | Confident | 83.6 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -102.9 | 106.7 | -175.4 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | I308 G314 G315 | I308-V312 HydrophobicContact CG2-CB 4.29Å; I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CA 3.45Å; I308-V312 WeakPolarHBondContact O-CB 3.03Å; I308-V312 PolarHBondContact O-N 2.98Å; V312-G314 PolarHBondContact O-N 3.35Å; V312-G314 VanDerWaalsContact O-N 3.16Å; V312-G315 PolarHBondContact O-N 3.31Å |
| 313 | K | 71.8 | Confident | 83.6 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 74% | 0.739 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 115.8 | 176 | -167.1 | -178.4 | 178.3 | -172 | 0 | 109.9 | Y180 G315 | Y180-K313 HydrophobicContact CD2-CB 3.91Å; Y180-K313 HydrophobicContact CD2-CG 4.37Å; Y180-K313 HydrophobicContact CE2-CB 3.58Å; Y180-K313 HydrophobicContact CE2-CG 4.33Å; K313-G315 VanDerWaalsContact C-N 3.33Å; K313-G315 PolarHBondContact O-N 3.43Å |
| 314 | G | 66.4 | Low | 83.7 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 75% | 0.753 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 20.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V312 T316 | V312-G314 PolarHBondContact O-N 3.35Å; V312-G314 VanDerWaalsContact O-N 3.16Å; G314-T316 PolarHBondContact O-N 3.02Å; G314-T316 VanDerWaalsContact O-N 3.1Å |
| 315 | G | 68.2 | Low | 84 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | trans | -61.2 | 111.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | V312 K313 I317 | V312-G315 PolarHBondContact O-N 3.31Å; K313-G315 VanDerWaalsContact C-N 3.33Å; K313-G315 PolarHBondContact O-N 3.43Å; G315-I317 PolarHBondContact O-N 2.92Å | ||
| 316 | T | 74.8 | Confident | 84.2 | Confident | 138 Ų | 138 | 60.4 Ų | 60.4 | 85% | 0.847 | 34% | 0.342 | S | S | * | . | trans | -78 | 99.5 | 175.7 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | G314 | G314-T316 PolarHBondContact O-N 3.02Å; G314-T316 VanDerWaalsContact O-N 3.1Å | ||
| 317 | I | 82.7 | Confident | 84.6 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 14% | 0.138 | 35% | 0.35 | C | S | . | . | trans | -80.1 | 127.8 | 174.9 | -59.7 | 175.1 | 0 | 0 | 0 | 107.9 | T305 I308 R309 G315 Q319 Y321 L322 | T305-I317 HydrophobicContact CG2-CD1 4.33Å; T305-I317 HydrophobicContact CG2-CG2 4.3Å; I308-I317 HydrophobicContact CB-CD1 4.35Å; I308-I317 HydrophobicContact CG2-CD1 4.1Å; I308-I317 HydrophobicContact CG2-CG1 4.19Å; R309-I317 HydrophobicContact CG-CD1 3.71Å; G315-I317 PolarHBondContact O-N 2.92Å; I317-Q319 PolarHBondContact O-N 3.32Å; I317-Y321 HydrophobicContact CG2-CD1 3.85Å; I317-L322 HydrophobicContact CG2-CB 4.4Å | ||
| 318 | P | 89.3 | Confident | 85 | Confident | 86 Ų | 86 | 63 Ų | 63 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | trans | -56.7 | 129.8 | 174.9 | -24.3 | 33.5 | 0 | 0 | 0 | 111.3 | V320 Y321 L322 | P318-V320 PolarHBondContact O-N 3.46Å; P318-V320 VanDerWaalsContact O-N 3.16Å; P318-Y321 WeakPolarHBondContact O-CB 3.1Å; P318-Y321 PolarHBondContact O-N 2.97Å; P318-L322 PolarHBondContact O-N 2.88Å; P318-L322 VanDerWaalsContact O-N 3.15Å | ||
| 319 | Q | 86.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58 | -32.7 | -177 | -67.5 | -64.2 | -29.8 | 0 | 0 | 113 | E170 I317 L322 T323 | E170-Q319 PolarHBondContact OE1-NE2 2.96Å; I317-Q319 PolarHBondContact O-N 3.32Å; Q319-L322 PolarHBondContact O-N 3.44Å; Q319-T323 WeakPolarHBondContact O-CB 3.48Å; Q319-T323 PolarHBondContact O-N 3.27Å; Q319-T323 PolarHBondContact O-OG1 3.23Å |
| 320 | V | 88.1 | Confident | 85.9 | Confident | 118 Ų | 118 | 58.8 Ų | 58.8 | 72% | 0.715 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | P318 A324 | P318-V320 PolarHBondContact O-N 3.46Å; P318-V320 VanDerWaalsContact O-N 3.16Å; V320-A324 WeakPolarHBondContact O-CB 3.26Å; V320-A324 PolarHBondContact O-N 2.88Å |
| 321 | Y | 91.3 | Very high | 86.5 | Confident | 96 Ų | 96 | 62 Ų | 62 | 38% | 0.376 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 179.1 | -179.3 | -104.2 | 0 | 0 | 0 | 111.3 | P301 T305 I317 P318 A324 A325 | P301-Y321 PolarHBondContact O-OH 3.31Å; T305-Y321 HydrophobicContact CG2-CD1 3.62Å; T305-Y321 HydrophobicContact CG2-CE1 3.24Å; I317-Y321 HydrophobicContact CG2-CD1 3.85Å; P318-Y321 WeakPolarHBondContact O-CB 3.1Å; P318-Y321 PolarHBondContact O-N 2.97Å; Y321-A324 PolarHBondContact O-N 3.32Å; Y321-A325 VanDerWaalsContact O-CB 3.32Å; Y321-A325 WeakPolarHBondContact O-CB 3.29Å; Y321-A325 PolarHBondContact O-N 3.44Å |
| 322 | L | 90.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | 176.7 | -177.2 | 70.8 | 0 | 0 | 0 | 111.7 | E170 E171 T305 I317 P318 Q319 A324 A325 V326 | E170-L322 HydrophobicContact CB-CD2 3.5Å; E171-L322 HydrophobicContact CG-CD1 4.23Å; E171-L322 HydrophobicContact CG-CD2 3.95Å; E171-L322 HydrophobicContact CG-CG 4.21Å; T305-L322 HydrophobicContact CG2-CD1 4.38Å; I317-L322 HydrophobicContact CG2-CB 4.4Å; P318-L322 PolarHBondContact O-N 2.88Å; P318-L322 VanDerWaalsContact O-N 3.15Å; Q319-L322 PolarHBondContact O-N 3.44Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.77Å; L322-A325 WeakPolarHBondContact O-CB 3.38Å; L322-A325 PolarHBondContact O-N 3.45Å; L322-A325 VanDerWaalsContact O-N 3.16Å; L322-V326 HydrophobicContact CD1-CG2 4.5Å; L322-V326 WeakPolarHBondContact O-CG2 3.48Å; L322-V326 PolarHBondContact O-N 3.44Å |
| 323 | T | 90.3 | Very high | 87.7 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58 | -45 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | Q319 V326 W327 | Q319-T323 WeakPolarHBondContact O-CB 3.48Å; Q319-T323 PolarHBondContact O-N 3.27Å; Q319-T323 PolarHBondContact O-OG1 3.23Å; T323-V326 PolarHBondContact O-N 3.03Å; T323-W327 WeakPolarHBondContact O-CB 3.32Å; T323-W327 PolarHBondContact O-N 3.45Å |
| 324 | A | 92.5 | Very high | 88.6 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V320 Y321 L322 W327 M328 | V320-A324 WeakPolarHBondContact O-CB 3.26Å; V320-A324 PolarHBondContact O-N 2.88Å; Y321-A324 PolarHBondContact O-N 3.32Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.77Å; A324-W327 PolarHBondContact O-N 3.33Å; A324-M328 WeakPolarHBondContact O-CE 3.17Å; A324-M328 WeakPolarHBondContact O-CG 3.45Å; A324-M328 PolarHBondContact O-N 2.95Å |
| 325 | A | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P301 T305 Y321 L322 W327 M328 T329 | P301-A325 HydrophobicContact CB-CB 4.06Å; T305-A325 HydrophobicContact CG2-CB 4.33Å; Y321-A325 VanDerWaalsContact O-CB 3.32Å; Y321-A325 WeakPolarHBondContact O-CB 3.29Å; Y321-A325 PolarHBondContact O-N 3.44Å; L322-A325 WeakPolarHBondContact O-CB 3.38Å; L322-A325 PolarHBondContact O-N 3.45Å; L322-A325 VanDerWaalsContact O-N 3.16Å; A325-W327 VanDerWaalsContact C-N 3.34Å; A325-W327 PolarHBondContact O-N 2.94Å; A325-M328 PolarHBondContact O-N 3.28Å; A325-T329 PolarHBondContact O-N 2.81Å |
| 326 | V | 92.8 | Very high | 91 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | E171 Y302 L322 T323 M328 T329 F330 | E171-V326 HydrophobicContact CB-CG2 4.18Å; E171-V326 HydrophobicContact CG-CG2 3.98Å; Y302-V326 HydrophobicContact CD2-CG2 4.11Å; Y302-V326 HydrophobicContact CE2-CG2 4.07Å; L322-V326 HydrophobicContact CD1-CG2 4.5Å; L322-V326 WeakPolarHBondContact O-CG2 3.48Å; L322-V326 PolarHBondContact O-N 3.44Å; T323-V326 PolarHBondContact O-N 3.03Å; V326-M328 VanDerWaalsContact C-N 3.3Å; V326-M328 PolarHBondContact O-N 3.28Å; V326-T329 WeakPolarHBondContact O-CB 2.99Å; V326-T329 PolarHBondContact O-N 3.02Å; V326-T329 PolarHBondContact O-OG1 3.29Å; V326-F330 HydrophobicContact CG1-CE1 4.04Å; V326-F330 HydrophobicContact CG1-CE2 3.92Å; V326-F330 HydrophobicContact CG1-CZ 3.6Å; V326-F330 PolarHBondContact O-N 3.46Å |
| 327 | W | 94 | Very high | 91.8 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -36.4 | -179 | -95.6 | -152.7 | 0 | 0 | 0 | 112.4 | K25 S28 I83 T323 A324 A325 T329 F330 V331 | K25-W327 HydrophobicContact CB-CZ2 3.94Å; K25-W327 HydrophobicContact CD-CZ2 4.39Å; K25-W327 HydrophobicContact CG-CZ2 3.99Å; S28-W327 PolarHBondContact OG-NE1 3.3Å; I83-W327 HydrophobicContact CD1-CH2 3.73Å; I83-W327 HydrophobicContact CD1-CZ2 4.05Å; T323-W327 WeakPolarHBondContact O-CB 3.32Å; T323-W327 PolarHBondContact O-N 3.45Å; A324-W327 PolarHBondContact O-N 3.33Å; A325-W327 VanDerWaalsContact C-N 3.34Å; A325-W327 PolarHBondContact O-N 2.94Å; W327-T329 VanDerWaalsContact C-N 3.29Å; W327-T329 PolarHBondContact O-N 2.94Å; W327-F330 HydrophobicContact CD2-CD2 4.16Å; W327-F330 AromaticContact CE3-CD2 3.43Å; W327-F330 HydrophobicContact CE3-CD2 3.43Å; W327-F330 VanDerWaalsContact CE3-CD2 3.43Å; W327-F330 AromaticContact CE3-CE2 3.45Å; W327-F330 HydrophobicContact CE3-CE2 3.45Å; W327-F330 VanDerWaalsContact CE3-CE2 3.45Å; W327-F330 HydrophobicContact CE3-CZ 4.47Å; W327-F330 HydrophobicContact CH2-CD2 4.24Å; W327-F330 AromaticContact CH2-CE2 3.83Å; W327-F330 HydrophobicContact CH2-CE2 3.83Å; W327-F330 AromaticContact CZ3-CD2 3.54Å; W327-F330 HydrophobicContact CZ3-CD2 3.54Å; W327-F330 AromaticContact CZ3-CE2 3.08Å; W327-F330 HydrophobicContact CZ3-CE2 3.08Å; W327-F330 HydrophobicContact CZ3-CZ 4.08Å; W327-F330 PolarHBondContact O-N 2.97Å; W327-F330 VanDerWaalsContact O-N 3.1Å; W327-V331 WeakPolarHBondContact O-CG2 3.37Å; W327-V331 PolarHBondContact O-N 3.39Å |
| 328 | M | 95.2 | Very high | 92.2 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 30% | 0.3 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.6 | -37 | 173.6 | -73.8 | -175.1 | -76.6 | 0 | 0 | 112.3 | L298 P301 A324 A325 V326 F330 V331 Q332 | L298-M328 HydrophobicContact CD2-CB 4.04Å; L298-M328 HydrophobicContact CD2-CG 4.26Å; L298-M328 VanDerWaalsContact O-CB 3.3Å; L298-M328 WeakPolarHBondContact O-CB 3.49Å; P301-M328 HydrophobicContact CB-CE 3.43Å; P301-M328 VanDerWaalsContact CB-CE 3.43Å; P301-M328 HydrophobicContact CG-CE 3.35Å; P301-M328 HydrophobicContact CG-SD 4.03Å; A324-M328 WeakPolarHBondContact O-CE 3.17Å; A324-M328 WeakPolarHBondContact O-CG 3.45Å; A324-M328 PolarHBondContact O-N 2.95Å; A325-M328 PolarHBondContact O-N 3.28Å; V326-M328 VanDerWaalsContact C-N 3.3Å; V326-M328 PolarHBondContact O-N 3.28Å; M328-F330 VanDerWaalsContact C-N 3.27Å; M328-F330 PolarHBondContact O-N 3.49Å; M328-V331 PolarHBondContact O-N 3.26Å; M328-Q332 PolarHBondContact O-N 3.03Å |
| 329 | T | 94.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -31.5 | 174.5 | 75.4 | 0 | 0 | 0 | 0 | 112.5 | W299 Y302 A325 V326 W327 Q332 | W299-T329 HydrophobicContact CD2-CG2 4.16Å; W299-T329 HydrophobicContact CE3-CG2 4.1Å; W299-T329 HydrophobicContact CZ3-CG2 4.31Å; Y302-T329 HydrophobicContact CD1-CG2 4.06Å; Y302-T329 HydrophobicContact CD2-CG2 4.48Å; Y302-T329 HydrophobicContact CG-CG2 3.81Å; A325-T329 PolarHBondContact O-N 2.81Å; V326-T329 WeakPolarHBondContact O-CB 2.99Å; V326-T329 PolarHBondContact O-N 3.02Å; V326-T329 PolarHBondContact O-OG1 3.29Å; W327-T329 VanDerWaalsContact C-N 3.29Å; W327-T329 PolarHBondContact O-N 2.94Å; T329-Q332 WeakPolarHBondContact O-CB 3.36Å |
| 330 | F | 94.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.7 | -41.7 | 176.5 | -61.7 | -15.8 | 0 | 0 | 0 | 112 | L29 V32 L76 V79 V326 W327 M328 Q332 A333 | L29-F330 HydrophobicContact CD1-CD2 3.74Å; L29-F330 HydrophobicContact CD1-CE2 4.25Å; L29-F330 HydrophobicContact CD1-CG 4.38Å; V32-F330 HydrophobicContact CG1-CB 4.36Å; V32-F330 VanDerWaalsContact CG1-O 3.32Å; V32-F330 WeakPolarHBondContact CG1-O 3.46Å; L76-F330 HydrophobicContact CD2-CB 4.43Å; L76-F330 HydrophobicContact CD2-CD1 3.74Å; L76-F330 HydrophobicContact CD2-CD2 4.45Å; L76-F330 HydrophobicContact CD2-CE1 4.04Å; L76-F330 HydrophobicContact CD2-CG 3.97Å; L76-F330 HydrophobicContact CD2-CZ 4.48Å; V79-F330 HydrophobicContact CG1-CE2 3.85Å; V79-F330 HydrophobicContact CG1-CZ 4Å; V79-F330 HydrophobicContact CG2-CZ 4.2Å; V326-F330 HydrophobicContact CG1-CE1 4.04Å; V326-F330 HydrophobicContact CG1-CE2 3.92Å; V326-F330 HydrophobicContact CG1-CZ 3.6Å; V326-F330 PolarHBondContact O-N 3.46Å; W327-F330 HydrophobicContact CD2-CD2 4.16Å; W327-F330 AromaticContact CE3-CD2 3.43Å; W327-F330 HydrophobicContact CE3-CD2 3.43Å; W327-F330 VanDerWaalsContact CE3-CD2 3.43Å; W327-F330 AromaticContact CE3-CE2 3.45Å; W327-F330 HydrophobicContact CE3-CE2 3.45Å; W327-F330 VanDerWaalsContact CE3-CE2 3.45Å; W327-F330 HydrophobicContact CE3-CZ 4.47Å; W327-F330 HydrophobicContact CH2-CD2 4.24Å; W327-F330 AromaticContact CH2-CE2 3.83Å; W327-F330 HydrophobicContact CH2-CE2 3.83Å; W327-F330 AromaticContact CZ3-CD2 3.54Å; W327-F330 HydrophobicContact CZ3-CD2 3.54Å; W327-F330 AromaticContact CZ3-CE2 3.08Å; W327-F330 HydrophobicContact CZ3-CE2 3.08Å; W327-F330 HydrophobicContact CZ3-CZ 4.08Å; W327-F330 PolarHBondContact O-N 2.97Å; W327-F330 VanDerWaalsContact O-N 3.1Å; M328-F330 VanDerWaalsContact C-N 3.27Å; M328-F330 PolarHBondContact O-N 3.49Å; F330-Q332 PolarHBondContact O-N 3.5Å; F330-A333 WeakPolarHBondContact O-CB 3.05Å; F330-A333 PolarHBondContact O-N 3.42Å |
| 331 | V | 95.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 42% | 0.424 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.5 | -30.2 | 176 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | V32 L298 W327 M328 A333 G334 | V32-V331 HydrophobicContact CG2-CG2 4.01Å; L298-V331 HydrophobicContact CD1-CG1 4.48Å; L298-V331 HydrophobicContact CD2-CG1 4.35Å; W327-V331 WeakPolarHBondContact O-CG2 3.37Å; W327-V331 PolarHBondContact O-N 3.39Å; M328-V331 PolarHBondContact O-N 3.26Å; V331-A333 PolarHBondContact O-N 3.34Å; V331-G334 PolarHBondContact O-N 3.46Å |
| 332 | Q | 94.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.1 | -30.7 | 173.8 | -179.8 | 60.7 | 37.9 | 0 | 0 | 113.1 | A294 F295 L298 M328 T329 F330 G334 A335 | A294-Q332 PolarHBondContact O-OE1 3.49Å; F295-Q332 VanDerWaalsContact CA-OE1 3.31Å; F295-Q332 HydrophobicContact CD2-CG 4.23Å; L298-Q332 HydrophobicContact CB-CB 4.38Å; L298-Q332 HydrophobicContact CD1-CB 4.15Å; M328-Q332 PolarHBondContact O-N 3.03Å; T329-Q332 WeakPolarHBondContact O-CB 3.36Å; F330-Q332 PolarHBondContact O-N 3.5Å; Q332-G334 VanDerWaalsContact C-N 3.26Å; Q332-G334 PolarHBondContact O-N 3.41Å; Q332-A335 WeakPolarHBondContact O-CB 3.33Å; Q332-A335 PolarHBondContact O-N 3.37Å; Q332-A335 VanDerWaalsContact O-N 3.11Å |
| 333 | A | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.2 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S36 N40 F330 V331 | S36-A333 WeakPolarHBondContact OG-CB 3.12Å; S36-A333 PolarHBondContact OG-O 2.98Å; N40-A333 PolarHBondContact ND2-O 3.15Å; F330-A333 WeakPolarHBondContact O-CB 3.05Å; F330-A333 PolarHBondContact O-N 3.42Å; V331-A333 PolarHBondContact O-N 3.34Å |
| 334 | G | 92 | Very high | 91.6 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 6% | 0.062 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -89 | -6.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | V331 Q332 P337 I338 | V331-G334 PolarHBondContact O-N 3.46Å; Q332-G334 VanDerWaalsContact C-N 3.26Å; Q332-G334 PolarHBondContact O-N 3.41Å; G334-P337 WeakPolarHBondContact O-CD 3.24Å; G334-I338 VanDerWaalsContact O-CD1 3.26Å; G334-I338 WeakPolarHBondContact O-CD1 3.39Å; G334-I338 VanDerWaalsContact O-CG1 3.32Å; G334-I338 WeakPolarHBondContact O-CG1 3.5Å |
| 335 | A | 92.6 | Very high | 90.9 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.1 | -38.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L298 Q332 I338 I339 | L298-A335 HydrophobicContact CD1-CB 4.2Å; Q332-A335 WeakPolarHBondContact O-CB 3.33Å; Q332-A335 PolarHBondContact O-N 3.37Å; Q332-A335 VanDerWaalsContact O-N 3.11Å; A335-I338 PolarHBondContact O-N 3.5Å; A335-I339 HydrophobicContact CB-CD1 4.27Å; A335-I339 VanDerWaalsContact O-CG1 3.26Å; A335-I339 WeakPolarHBondContact O-CG1 3.2Å; A335-I339 PolarHBondContact O-N 2.71Å |
| 336 | N | 91.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.7 | -55.9 | -176.1 | -71.1 | -15.3 | 0 | 0 | 0 | 113.8 | D68 I291 I338 I339 C340 | D68-N336 PolarHBondContact OD2-ND2 3.01Å; I291-N336 WeakPolarHBondContact CG2-OD1 3.3Å; N336-I338 PolarHBondContact O-N 2.82Å; N336-I339 PolarHBondContact O-N 2.97Å; N336-C340 WeakPolarHBondContact O-CB 3.13Å; N336-C340 PolarHBondContact O-N 2.91Å; N336-C340 PolarHBondContact O-SG 3.32Å |
| 337 | P | 91.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | -179.8 | 24.2 | -33.9 | 0 | 0 | 0 | 112.2 | N40 L43 G334 I339 C340 F341 | N40-P337 WeakPolarHBondContact OD1-CD 3.3Å; L43-P337 HydrophobicContact CD2-CB 4.3Å; G334-P337 WeakPolarHBondContact O-CD 3.24Å; P337-I339 PolarHBondContact O-N 3.13Å; P337-C340 PolarHBondContact O-N 2.04Å; P337-F341 HydrophobicContact CB-CD2 4.37Å; P337-F341 HydrophobicContact CB-CE2 4.01Å; P337-F341 WeakPolarHBondContact O-CD2 3.04Å; P337-F341 WeakPolarHBondContact O-CG 3.4Å; P337-F341 PolarHBondContact O-N 3.44Å |
| 338 | I | 91.5 | Very high | 88.9 | Confident | 84 Ų | 84 | 39.3 Ų | 39.3 | 43% | 0.431 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 178.6 | -63.2 | 171.6 | 0 | 0 | 0 | 110.3 | I35 G334 A335 N336 F341 I342 | I35-I338 HydrophobicContact CG2-CD1 4.44Å; G334-I338 VanDerWaalsContact O-CD1 3.26Å; G334-I338 WeakPolarHBondContact O-CD1 3.39Å; G334-I338 VanDerWaalsContact O-CG1 3.32Å; G334-I338 WeakPolarHBondContact O-CG1 3.5Å; A335-I338 PolarHBondContact O-N 3.5Å; N336-I338 PolarHBondContact O-N 2.82Å; I338-F341 PolarHBondContact O-N 3.19Å; I338-I342 HydrophobicContact CG2-CD1 3.82Å; I338-I342 VanDerWaalsContact O-CG1 3.28Å; I338-I342 WeakPolarHBondContact O-CG1 3.36Å; I338-I342 PolarHBondContact O-N 3.09Å; I338-I342 VanDerWaalsContact O-N 3.07Å |
| 339 | I | 92.7 | Very high | 88.2 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 179.4 | -64.1 | 167 | 0 | 0 | 0 | 110.5 | M290 I291 A294 A335 N336 P337 F341 I342 F343 | M290-I339 HydrophobicContact CB-CG2 3.8Å; I291-I339 HydrophobicContact CG1-CB 4.07Å; I291-I339 HydrophobicContact CG1-CD1 4.36Å; I291-I339 HydrophobicContact CG1-CG2 3.6Å; A294-I339 HydrophobicContact CB-CD1 3.4Å; A294-I339 VanDerWaalsContact CB-CD1 3.4Å; A335-I339 HydrophobicContact CB-CD1 4.27Å; A335-I339 VanDerWaalsContact O-CG1 3.26Å; A335-I339 WeakPolarHBondContact O-CG1 3.2Å; A335-I339 PolarHBondContact O-N 2.71Å; N336-I339 PolarHBondContact O-N 2.97Å; P337-I339 PolarHBondContact O-N 3.13Å; I339-F341 VanDerWaalsContact C-N 3.34Å; I339-F341 PolarHBondContact O-N 3.18Å; I339-I342 PolarHBondContact O-N 2.89Å; I339-F343 HydrophobicContact CG2-CD2 3.75Å; I339-F343 HydrophobicContact CG2-CE2 4.22Å; I339-F343 WeakPolarHBondContact O-CD2 3.01Å; I339-F343 PolarHBondContact O-N 2.91Å |
| 340 | C | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 176.3 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | L43 M287 N336 P337 N344 L347 | L43-C340 HydrophobicContact CD2-CB 4Å; M287-C340 HydrophobicContact SD-CB 4.36Å; N336-C340 WeakPolarHBondContact O-CB 3.13Å; N336-C340 PolarHBondContact O-N 2.91Å; N336-C340 PolarHBondContact O-SG 3.32Å; P337-C340 PolarHBondContact O-N 2.04Å; C340-N344 WeakPolarHBondContact O-CA 3.24Å; C340-N344 WeakPolarHBondContact O-CB 3.36Å; C340-N344 PolarHBondContact O-N 3.35Å; C340-L347 HydrophobicContact CB-CD1 4.06Å |
| 341 | F | 86.8 | Confident | 86.9 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.4 | -31 | 179.6 | -68.6 | -50.7 | 0 | 0 | 0 | 113.8 | P337 I338 I339 L351 | P337-F341 HydrophobicContact CB-CD2 4.37Å; P337-F341 HydrophobicContact CB-CE2 4.01Å; P337-F341 WeakPolarHBondContact O-CD2 3.04Å; P337-F341 WeakPolarHBondContact O-CG 3.4Å; P337-F341 PolarHBondContact O-N 3.44Å; I338-F341 PolarHBondContact O-N 3.19Å; I339-F341 VanDerWaalsContact C-N 3.34Å; I339-F341 PolarHBondContact O-N 3.18Å; F341-L351 HydrophobicContact CD1-CD2 4.27Å; F341-L351 HydrophobicContact CE1-CB 4.37Å; F341-L351 HydrophobicContact CE1-CD1 4.34Å; F341-L351 HydrophobicContact CE1-CD2 3.61Å; F341-L351 HydrophobicContact CE1-CG 4.32Å; F341-L351 HydrophobicContact CZ-CD1 4.32Å; F341-L351 HydrophobicContact CZ-CD2 3.82Å |
| 342 | I | 87.8 | Confident | 86.2 | Confident | 114 Ų | 114 | 48.3 Ų | 48.3 | 59% | 0.585 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -72.3 | -47.2 | 176.5 | -68.9 | 168.4 | 0 | 0 | 0 | 111.1 | I338 I339 | I338-I342 HydrophobicContact CG2-CD1 3.82Å; I338-I342 VanDerWaalsContact O-CG1 3.28Å; I338-I342 WeakPolarHBondContact O-CG1 3.36Å; I338-I342 PolarHBondContact O-N 3.09Å; I338-I342 VanDerWaalsContact O-N 3.07Å; I339-I342 PolarHBondContact O-N 2.89Å |
| 343 | F | 84.2 | Confident | 85.5 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -92.8 | -19.8 | -170 | -72.2 | -80.3 | 0 | 0 | 0 | 114.2 | M287 M290 I339 | M287-F343 HydrophobicContact CB-CB 4.05Å; M287-F343 HydrophobicContact CG-CB 4.1Å; M290-F343 HydrophobicContact CB-CD2 4.19Å; M290-F343 HydrophobicContact CB-CE2 3.97Å; M290-F343 HydrophobicContact CB-CZ 4.37Å; M290-F343 HydrophobicContact CE-CE2 4.11Å; M290-F343 HydrophobicContact CE-CZ 3.74Å; M290-F343 HydrophobicContact CG-CD1 4.26Å; M290-F343 HydrophobicContact CG-CD2 4.13Å; M290-F343 HydrophobicContact CG-CE1 3.91Å; M290-F343 HydrophobicContact CG-CE2 3.77Å; M290-F343 HydrophobicContact CG-CG 4.38Å; M290-F343 HydrophobicContact CG-CZ 3.66Å; M290-F343 HydrophobicContact SD-CZ 4.17Å; I339-F343 HydrophobicContact CG2-CD2 3.75Å; I339-F343 HydrophobicContact CG2-CE2 4.22Å; I339-F343 WeakPolarHBondContact O-CD2 3.01Å; I339-F343 PolarHBondContact O-N 2.91Å |
| 344 | N | 81.5 | Confident | 84.5 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | trans | -112 | 95.7 | -178.4 | -159.6 | -18.4 | 0 | 0 | 0 | 112.8 | Y58 M287 C340 E346 L347 R348 | Y58-N344 PolarHBondContact OH-ND2 2.9Å; M287-N344 HydrophobicContact SD-CB 3.73Å; C340-N344 WeakPolarHBondContact O-CA 3.24Å; C340-N344 WeakPolarHBondContact O-CB 3.36Å; C340-N344 PolarHBondContact O-N 3.35Å; N344-E346 PolarHBondContact O-N 3.18Å; N344-E346 WeakPolarHBondContact OD1-CB 3.35Å; N344-E346 PolarHBondContact OD1-N 3Å; N344-E346 VanDerWaalsContact OD1-N 3.14Å; N344-L347 HydrophobicContact CB-CB 4.16Å; N344-L347 HydrophobicContact CB-CD1 3.81Å; N344-L347 HydrophobicContact CB-CG 4Å; N344-L347 WeakPolarHBondContact ND2-CG 3.36Å; N344-L347 PolarHBondContact O-N 3.47Å; N344-R348 PolarHBondContact O-N 3.22Å | ||
| 345 | K | 76.8 | Confident | 83.4 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.1 | -29.5 | 176.2 | -66.1 | -173.1 | 178.6 | -175.3 | 0 | 113.2 | S349 | K345-S349 PolarHBondContact O-N 3.41Å |
| 346 | E | 77.8 | Confident | 81.8 | Confident | 69 Ų | 69 | 63 Ų | 63 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.1 | -51.1 | 179.1 | -172.8 | 61.9 | -154.4 | 0 | 0 | 110.1 | N344 R348 S349 R350 | N344-E346 PolarHBondContact O-N 3.18Å; N344-E346 WeakPolarHBondContact OD1-CB 3.35Å; N344-E346 PolarHBondContact OD1-N 3Å; N344-E346 VanDerWaalsContact OD1-N 3.14Å; E346-R348 VanDerWaalsContact C-N 3.27Å; E346-R348 PolarHBondContact O-N 3.26Å; E346-S349 WeakPolarHBondContact O-CB 3.32Å; E346-S349 PolarHBondContact O-N 3.46Å; E346-R350 HydrophobicContact CG-CG 4.45Å; E346-R350 WeakPolarHBondContact O-CG 3.46Å; E346-R350 PolarHBondContact O-N 2.66Å; E346-R350 IonicContact OE1-CZ 3.45Å; E346-R350 IonicContact OE1-NE 2.79Å; E346-R350 PolarHBondContact OE1-NE 2.94Å; E346-R350 IonicContact OE1-NH2 3.18Å; E346-R350 PolarHBondContact OE1-NH2 2.6Å |
| 347 | L | 79.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.6 | -43.8 | 176.9 | -69.3 | 177.4 | 0 | 0 | 0 | 111.5 | L43 L46 L53 Y58 C340 N344 S349 R350 L351 | L43-L347 HydrophobicContact CD1-CD1 4.1Å; L43-L347 HydrophobicContact CD1-CD2 4.46Å; L46-L347 HydrophobicContact CD2-CB 4.35Å; L46-L347 HydrophobicContact CD2-CD2 3.94Å; L53-L347 HydrophobicContact CD1-CD2 3.6Å; L53-L347 HydrophobicContact CD2-CD2 4.07Å; Y58-L347 HydrophobicContact CE1-CD1 4.36Å; Y58-L347 HydrophobicContact CE1-CD2 4.17Å; Y58-L347 HydrophobicContact CE1-CG 4.42Å; C340-L347 HydrophobicContact CB-CD1 4.06Å; N344-L347 HydrophobicContact CB-CB 4.16Å; N344-L347 HydrophobicContact CB-CD1 3.81Å; N344-L347 HydrophobicContact CB-CG 4Å; N344-L347 WeakPolarHBondContact ND2-CG 3.36Å; N344-L347 PolarHBondContact O-N 3.47Å; L347-S349 VanDerWaalsContact C-N 3.33Å; L347-S349 PolarHBondContact O-N 3Å; L347-R350 PolarHBondContact O-N 3.13Å; L347-L351 VanDerWaalsContact O-CB 3.29Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 PolarHBondContact O-N 2.85Å |
| 348 | R | 82.9 | Confident | 77.8 | Confident | 113 Ų | 113 | 74.2 Ų | 74.2 | 43% | 0.426 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.5 | -33.7 | 176.9 | -174.1 | 176.9 | 59.9 | 166.6 | 1.4 | 113.3 | N344 E346 R352 | N344-R348 PolarHBondContact O-N 3.22Å; E346-R348 VanDerWaalsContact C-N 3.27Å; E346-R348 PolarHBondContact O-N 3.26Å; R348-R352 WeakPolarHBondContact O-CG 3.32Å; R348-R352 PolarHBondContact O-N 3.29Å; R348-R352 PolarHBondContact O-NE 3.05Å |
| 349 | S | 81.1 | Confident | 75.7 | Confident | 57 Ų | 57 | 77.1 Ų | 77.1 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.9 | -45.1 | 176.2 | -157.2 | 0 | 0 | 0 | 0 | 111.1 | K345 E346 L347 R352 A353 | K345-S349 PolarHBondContact O-N 3.41Å; E346-S349 WeakPolarHBondContact O-CB 3.32Å; E346-S349 PolarHBondContact O-N 3.46Å; L347-S349 VanDerWaalsContact C-N 3.33Å; L347-S349 PolarHBondContact O-N 3Å; S349-R352 PolarHBondContact O-N 3.28Å; S349-A353 PolarHBondContact O-N 3.01Å |
| 350 | R | 80.8 | Confident | 73.4 | Confident | 96 Ų | 96 | 81.4 Ų | 81.4 | 36% | 0.362 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 179.3 | -61 | -59.3 | 179.6 | 152.5 | -2.4 | 113.1 | L46 D50 E346 L347 A353 S354 | L46-R350 HydrophobicContact CD1-CB 3.9Å; D50-R350 WeakPolarHBondContact OD2-CD 3.35Å; D50-R350 WeakPolarHBondContact OD2-CG 3.38Å; D50-R350 IonicContact OD2-CZ 3.87Å; D50-R350 IonicContact OD2-NE 3.63Å; D50-R350 IonicContact OD2-NH1 2.73Å; E346-R350 HydrophobicContact CG-CG 4.45Å; E346-R350 WeakPolarHBondContact O-CG 3.46Å; E346-R350 PolarHBondContact O-N 2.66Å; E346-R350 IonicContact OE1-CZ 3.45Å; E346-R350 IonicContact OE1-NE 2.79Å; E346-R350 PolarHBondContact OE1-NE 2.94Å; E346-R350 IonicContact OE1-NH2 3.18Å; E346-R350 PolarHBondContact OE1-NH2 2.6Å; L347-R350 PolarHBondContact O-N 3.13Å; R350-A353 PolarHBondContact O-N 2.9Å; R350-S354 WeakPolarHBondContact O-CB 3.21Å; R350-S354 PolarHBondContact O-N 2.64Å; R350-S354 PolarHBondContact O-OG 3.04Å; R350-S354 VanDerWaalsContact O-OG 3.09Å |
| 351 | L | 79.9 | Confident | 70.9 | Confident | 40 Ų | 40 | 87.4 Ų | 87.4 | 21% | 0.209 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 173 | -170.2 | 78.7 | 0 | 0 | 0 | 110.9 | L46 F341 L347 A353 S354 F355 | L46-L351 HydrophobicContact CD2-CB 4.21Å; L46-L351 HydrophobicContact CD2-CD1 4.28Å; F341-L351 HydrophobicContact CD1-CD2 4.27Å; F341-L351 HydrophobicContact CE1-CB 4.37Å; F341-L351 HydrophobicContact CE1-CD1 4.34Å; F341-L351 HydrophobicContact CE1-CD2 3.61Å; F341-L351 HydrophobicContact CE1-CG 4.32Å; F341-L351 HydrophobicContact CZ-CD1 4.32Å; F341-L351 HydrophobicContact CZ-CD2 3.82Å; L347-L351 VanDerWaalsContact O-CB 3.29Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 PolarHBondContact O-N 2.85Å; L351-A353 VanDerWaalsContact C-N 3.3Å; L351-A353 PolarHBondContact O-N 2.83Å; L351-S354 PolarHBondContact O-N 3.13Å; L351-S354 VanDerWaalsContact O-N 3.1Å; L351-F355 HydrophobicContact CD1-CD2 3.9Å; L351-F355 HydrophobicContact CD1-CE2 3.69Å; L351-F355 HydrophobicContact CG-CD2 4.12Å; L351-F355 HydrophobicContact CG-CE2 4.4Å; L351-F355 WeakPolarHBondContact O-CD2 3.49Å; L351-F355 PolarHBondContact O-N 2.92Å |
| 352 | R | 80.2 | Confident | 68.5 | Low | 147 Ų | 147 | 94.2 Ų | 94.2 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -37.2 | 176.8 | -75.9 | -175.9 | -66.6 | 165.5 | 6.5 | 112.5 | R348 S349 S354 F355 | R348-R352 WeakPolarHBondContact O-CG 3.32Å; R348-R352 PolarHBondContact O-N 3.29Å; R348-R352 PolarHBondContact O-NE 3.05Å; S349-R352 PolarHBondContact O-N 3.28Å; R352-S354 VanDerWaalsContact C-N 3.34Å; R352-F355 CarbonylContact O-C 3.53Å |
| 353 | A | 79.9 | Confident | 65.9 | Low | 74 Ų | 74 | 94.9 Ų | 94.9 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.8 | -32 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S349 R350 L351 | S349-A353 PolarHBondContact O-N 3.01Å; R350-A353 PolarHBondContact O-N 2.9Å; L351-A353 VanDerWaalsContact C-N 3.3Å; L351-A353 PolarHBondContact O-N 2.83Å |
| 354 | S | 73 | Confident | 63.5 | Low | 41 Ų | 41 | 98.3 Ų | 98.3 | 29% | 0.287 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -80.9 | -20.2 | -179.9 | -66.5 | 0 | 0 | 0 | 0 | 114.1 | R350 L351 R352 P356 | R350-S354 WeakPolarHBondContact O-CB 3.21Å; R350-S354 PolarHBondContact O-N 2.64Å; R350-S354 PolarHBondContact O-OG 3.04Å; R350-S354 VanDerWaalsContact O-OG 3.09Å; L351-S354 PolarHBondContact O-N 3.13Å; L351-S354 VanDerWaalsContact O-N 3.1Å; R352-S354 VanDerWaalsContact C-N 3.34Å; S354-P356 WeakPolarHBondContact O-CD 3.38Å |
| 355 | F | 68.5 | Low | 61.2 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 55% | 0.548 | 58% | 0.583 | S | S | . | * | trans | -120.2 | 77.1 | 174 | -65.8 | -81 | 0 | 0 | 0 | 110.6 | L351 R352 C357 | L351-F355 HydrophobicContact CD1-CD2 3.9Å; L351-F355 HydrophobicContact CD1-CE2 3.69Å; L351-F355 HydrophobicContact CG-CD2 4.12Å; L351-F355 HydrophobicContact CG-CE2 4.4Å; L351-F355 WeakPolarHBondContact O-CD2 3.49Å; L351-F355 PolarHBondContact O-N 2.92Å; R352-F355 CarbonylContact O-C 3.53Å; F355-C357 PolarHBondContact O-N 3.28Å; F355-C357 VanDerWaalsContact O-N 3.14Å | ||
| 356 | P | 58.6 | Low | 59 | Low | 94 Ų | 94 | 105.1 Ų | 105.1 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -65.5 | -15.4 | -177.7 | -18.2 | 31.2 | 0 | 0 | 0 | 114 | S354 C358 | S354-P356 WeakPolarHBondContact O-CD 3.38Å; P356-C358 PolarHBondContact O-N 2.99Å |
| 357 | C | 49.8 | Very low | 56.8 | Low | 126 Ų | 126 | 110.7 Ų | 110.7 | 85% | 0.851 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -69.5 | 2.3 | -167.4 | -62.5 | 0 | 0 | 0 | 0 | 116 | F355 | F355-C357 PolarHBondContact O-N 3.28Å; F355-C357 VanDerWaalsContact O-N 3.14Å |
| 358 | C | 51 | Low | 54.6 | Low | 113 Ų | 113 | 119 Ų | 119 | 76% | 0.764 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -131 | 2.8 | 179.4 | -66.6 | 0 | 0 | 0 | 0 | 116.5 | P356 | P356-C358 PolarHBondContact O-N 2.99Š|
| 359 | L | 47.8 | Very low | 52.5 | Low | 146 Ų | 146 | 119.2 Ų | 119.2 | 76% | 0.764 | 67% | 0.672 | S | S | * | * | trans | -150 | 84.7 | 168.6 | -84.6 | 111.7 | 0 | 0 | 0 | 110.9 | T361 | L359-T361 PolarHBondContact O-N 3.47Š| ||
| 360 | S | 42.8 | Very low | 50.4 | Low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | trans | -70.5 | 116.6 | 153.4 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 361 | T | 38.5 | Very low | 48 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | 151.3 | 73.6 | 145.6 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | L359 | L359-T361 PolarHBondContact O-N 3.47Š| ||
| 362 | Q | 36.3 | Very low | 45.9 | Very low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | -128.1 | 113.4 | 140.2 | -77.9 | -168.5 | -7.5 | 0 | 0 | 107.5 | ||||
| 363 | T | 32.5 | Very low | 43.9 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -43.4 | 135.4 | 167.8 | 40.8 | 0 | 0 | 0 | 0 | 110.9 | M365 | T363-M365 PolarHBondContact O-N 3.27Å; T363-M365 VanDerWaalsContact O-N 3.14Å | ||
| 364 | P | 33.8 | Very low | 42.1 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -62.8 | 118.8 | 172.5 | 25.7 | -30.6 | 0 | 0 | 0 | 108.7 | S366 | P364-S366 PolarHBondContact O-N 3.11Š| ||
| 365 | M | 34.4 | Very low | 40.5 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -64.4 | 114 | 164.2 | -163.4 | 177.4 | -65.4 | 0 | 0 | 106.2 | T363 M367 | T363-M365 PolarHBondContact O-N 3.27Å; T363-M365 VanDerWaalsContact O-N 3.14Å; M365-M367 PolarHBondContact O-N 3.47Å | ||
| 366 | S | 29.1 | Very low | 39 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -48.1 | 120.9 | 176.2 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | P364 E368 | P364-S366 PolarHBondContact O-N 3.11Å; S366-E368 PolarHBondContact O-N 3.23Å | ||
| 367 | M | 32.9 | Very low | 37.8 | Very low | 185 Ų | 185 | 149.3 Ų | 149.3 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -64.4 | 110.3 | 159.5 | -84.3 | -157.7 | 173.7 | 0 | 0 | 107.7 | M365 | M365-M367 PolarHBondContact O-N 3.47Š| ||
| 368 | E | 32.8 | Very low | 37.1 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -65 | 131 | 158.5 | -88.1 | -179.8 | 140.6 | 0 | 0 | 108.4 | S366 | S366-E368 PolarHBondContact O-N 3.23Š| ||
| 369 | P | 39.8 | Very low | 36.1 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -69.7 | 135 | 176.3 | 27.7 | -31 | 0 | 0 | 0 | 109.9 | C371 | P369-C371 PolarHBondContact O-N 3.34Š| ||
| 370 | Y | 35.2 | Very low | 35.3 | Very low | 226 Ų | 226 | 153.8 Ų | 153.8 | 89% | 0.886 | 85% | 0.845 | S | S | * | * | trans | -52.3 | 108.8 | 164.4 | -76.5 | -97.2 | 0 | 0 | 0 | 109.4 | V372 | Y370-V372 PolarHBondContact O-N 3.35Š| ||
| 371 | C | 32.1 | Very low | 34.7 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 83% | 0.831 | 85% | 0.851 | S | S | * | * | trans | -76.7 | 109.6 | 162.6 | -115.1 | 0 | 0 | 0 | 0 | 107.8 | P369 | P369-C371 PolarHBondContact O-N 3.34Š| ||
| 372 | V | 35 | Very low | 34.4 | Very low | 133 Ų | 133 | 159.8 Ų | 159.8 | 81% | 0.806 | 86% | 0.858 | S | S | * | * | trans | -79.7 | 112.9 | 160.5 | 178.8 | 0 | 0 | 0 | 0 | 106.7 | Y370 | Y370-V372 PolarHBondContact O-N 3.35Š| ||
| 373 | I | 39.1 | Very low | 34.2 | Very low | 226 Ų | 226 | 156.8 Ų | 156.8 | 100% | 1.159 | 85% | 0.854 | S | S | * | * | trans | -137.7 | 0 | 148.9 | -56.5 | -177.7 | 0 | 0 | 0 | 107 |
Retrieved 373 of 373 residues in 1122.9 ms
(Link to these results)