| 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 | 65.9 | Low | 79.9 | Confident | 193 Ų | 193 | 110.7 Ų | 110.7 | 95% | 0.951 | 60% | 0.598 | S | S | * | * | 0 | -50.4 | 0 | -162.2 | 170.9 | 166 | 0 | 0 | 112.2 | S3 C4 L5 | M1-S3 PolarHBondContact O-N 3.16Å; M1-C4 PolarHBondContact O-N 2.95Å; M1-L5 HydrophobicContact CE-CD1 4.47Å; M1-L5 HydrophobicContact CG-CD1 4.28Å; M1-L5 PolarHBondContact O-N 3.29Å | |||
| 2 | F | 76.2 | Confident | 80.5 | Confident | 176 Ų | 176 | 112.7 Ų | 112.7 | 77% | 0.772 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.4 | -44.2 | 176.4 | -101.2 | -86.6 | 0 | 0 | 0 | 114.5 | C4 L5 Q6 | F2-C4 PolarHBondContact O-N 2.66Å; F2-L5 PolarHBondContact O-N 3.16Å; F2-Q6 PolarHBondContact O-N 3.3Å |
| 3 | S | 79.3 | Confident | 80.8 | Confident | 90 Ų | 90 | 113.2 Ų | 113.2 | 63% | 0.629 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65 | -35.6 | 179.5 | -46.9 | 0 | 0 | 0 | 0 | 113.5 | M1 Q6 L7 | M1-S3 PolarHBondContact O-N 3.16Å; S3-Q6 PolarHBondContact O-N 3.32Å; S3-L7 PolarHBondContact O-N 3.49Å |
| 4 | C | 76.3 | Confident | 81.1 | Confident | 85 Ų | 85 | 113 Ų | 113 | 57% | 0.574 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.1 | -40 | 174.8 | -73.5 | 0 | 0 | 0 | 0 | 112.1 | M1 F2 L7 I8 | M1-C4 PolarHBondContact O-N 2.95Å; F2-C4 PolarHBondContact O-N 2.66Å; C4-L7 PolarHBondContact O-N 2.8Å; C4-I8 VanDerWaalsContact O-CG1 3.29Å; C4-I8 WeakPolarHBondContact O-CG1 2.92Å; C4-I8 PolarHBondContact O-N 3.03Å |
| 5 | L | 81.3 | Confident | 81.3 | Confident | 88 Ų | 88 | 115.2 Ų | 115.2 | 46% | 0.461 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.2 | -39.5 | 175.8 | -92.4 | 146.7 | 0 | 0 | 0 | 111.9 | M1 F2 I8 N9 | M1-L5 HydrophobicContact CE-CD1 4.47Å; M1-L5 HydrophobicContact CG-CD1 4.28Å; M1-L5 PolarHBondContact O-N 3.29Å; F2-L5 PolarHBondContact O-N 3.16Å; L5-I8 PolarHBondContact O-N 3.38Å; L5-N9 WeakPolarHBondContact O-CB 3.09Å; L5-N9 PolarHBondContact O-N 3.49Å |
| 6 | Q | 83.2 | Confident | 81.6 | Confident | 133 Ų | 133 | 113.6 Ų | 113.6 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.9 | -42.8 | 173.3 | -74.6 | -179.9 | -37.2 | 0 | 0 | 112 | F2 S3 N9 A10 | F2-Q6 PolarHBondContact O-N 3.3Å; S3-Q6 PolarHBondContact O-N 3.32Å; Q6-N9 PolarHBondContact O-N 3.25Å; Q6-A10 WeakPolarHBondContact O-CB 3.47Å; Q6-A10 PolarHBondContact O-N 3.2Å |
| 7 | L | 81.6 | Confident | 81.8 | Confident | 121 Ų | 121 | 110.6 Ų | 110.6 | 63% | 0.634 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.6 | -44 | 177 | -165.3 | 78 | 0 | 0 | 0 | 111.6 | S3 C4 A10 V11 | S3-L7 PolarHBondContact O-N 3.49Å; C4-L7 PolarHBondContact O-N 2.8Å; L7-A10 PolarHBondContact O-N 3.48Å; L7-V11 WeakPolarHBondContact O-CB 3.49Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.65Å |
| 8 | I | 84.4 | Confident | 81.9 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 56% | 0.559 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -42.9 | 177.8 | -68.2 | 165 | 0 | 0 | 0 | 111.1 | C4 L5 V11 Y12 | C4-I8 VanDerWaalsContact O-CG1 3.29Å; C4-I8 WeakPolarHBondContact O-CG1 2.92Å; C4-I8 PolarHBondContact O-N 3.03Å; L5-I8 PolarHBondContact O-N 3.38Å; I8-V11 PolarHBondContact O-N 3.35Å; I8-Y12 VanDerWaalsContact O-CB 3.26Å; I8-Y12 WeakPolarHBondContact O-CB 3.13Å; I8-Y12 PolarHBondContact O-N 3.17Å |
| 9 | N | 84.4 | Confident | 82 | Confident | 92 Ų | 92 | 107.4 Ų | 107.4 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -39.8 | 176.3 | -81.2 | -14.2 | 0 | 0 | 0 | 112.1 | L5 Q6 Y12 Q13 | L5-N9 WeakPolarHBondContact O-CB 3.09Å; L5-N9 PolarHBondContact O-N 3.49Å; Q6-N9 PolarHBondContact O-N 3.25Å; N9-Y12 PolarHBondContact O-N 3.3Å; N9-Q13 WeakPolarHBondContact O-CB 3.18Å; N9-Q13 VanDerWaalsContact O-CG 3.29Å; N9-Q13 WeakPolarHBondContact O-CG 3.34Å; N9-Q13 PolarHBondContact O-N 3.27Å |
| 10 | A | 83.1 | Confident | 82.3 | Confident | 41 Ų | 41 | 106.1 Ų | 106.1 | 34% | 0.339 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -49.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q6 L7 Y12 Q13 D14 | Q6-A10 WeakPolarHBondContact O-CB 3.47Å; Q6-A10 PolarHBondContact O-N 3.2Å; L7-A10 PolarHBondContact O-N 3.48Å; A10-Y12 VanDerWaalsContact C-N 3.28Å; A10-Y12 PolarHBondContact O-N 3.38Å; A10-Q13 PolarHBondContact O-N 3.34Å; A10-Q13 VanDerWaalsContact O-N 3.16Å; A10-D14 VanDerWaalsContact O-CG 3.28Å; A10-D14 PolarHBondContact O-N 2.96Å |
| 11 | V | 83.7 | Confident | 82.4 | Confident | 90 Ų | 90 | 106.4 Ų | 106.4 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.1 | -38.8 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L7 I8 D14 F15 | L7-V11 WeakPolarHBondContact O-CB 3.49Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.65Å; I8-V11 PolarHBondContact O-N 3.35Å; V11-D14 PolarHBondContact O-N 3.03Å; V11-F15 WeakPolarHBondContact O-CB 3.3Å; V11-F15 PolarHBondContact O-N 3.46Å |
| 12 | Y | 86.3 | Confident | 83.2 | Confident | 134 Ų | 134 | 102 Ų | 102 | 53% | 0.525 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.7 | -176.7 | -102.4 | 0 | 0 | 0 | 112.3 | I8 N9 A10 F15 Q16 | I8-Y12 VanDerWaalsContact O-CB 3.26Å; I8-Y12 WeakPolarHBondContact O-CB 3.13Å; I8-Y12 PolarHBondContact O-N 3.17Å; N9-Y12 PolarHBondContact O-N 3.3Å; A10-Y12 VanDerWaalsContact C-N 3.28Å; A10-Y12 PolarHBondContact O-N 3.38Å; Y12-F15 PolarHBondContact O-N 3.15Å; Y12-Q16 HydrophobicContact CD1-CG 4.33Å; Y12-Q16 HydrophobicContact CE1-CG 3.94Å; Y12-Q16 VanDerWaalsContact CZ-NE2 3.26Å; Y12-Q16 WeakPolarHBondContact O-CG 3.29Å; Y12-Q16 PolarHBondContact O-N 2.85Å; Y12-Q16 PolarHBondContact OH-NE2 3.46Å |
| 13 | Q | 84.9 | Confident | 83.6 | Confident | 120 Ų | 120 | 96.5 Ų | 96.5 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 174.6 | -76.8 | 177.8 | -24.1 | 0 | 0 | 111.8 | N9 A10 Q16 S17 | N9-Q13 WeakPolarHBondContact O-CB 3.18Å; N9-Q13 VanDerWaalsContact O-CG 3.29Å; N9-Q13 WeakPolarHBondContact O-CG 3.34Å; N9-Q13 PolarHBondContact O-N 3.27Å; A10-Q13 PolarHBondContact O-N 3.34Å; A10-Q13 VanDerWaalsContact O-N 3.16Å; Q13-Q16 PolarHBondContact O-N 2.86Å; Q13-S17 WeakPolarHBondContact O-CB 3.49Å; Q13-S17 PolarHBondContact O-N 3.37Å; Q13-S17 PolarHBondContact O-OG 2.98Å |
| 14 | D | 84.4 | Confident | 84 | Confident | 110 Ų | 110 | 98.3 Ų | 98.3 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 174.8 | -70 | -22.9 | 0 | 0 | 0 | 110.8 | A10 V11 S17 A18 | A10-D14 VanDerWaalsContact O-CG 3.28Å; A10-D14 PolarHBondContact O-N 2.96Å; V11-D14 PolarHBondContact O-N 3.03Å; D14-S17 PolarHBondContact O-N 3.4Å; D14-A18 WeakPolarHBondContact O-CB 3.27Å; D14-A18 PolarHBondContact O-N 3.2Å |
| 15 | F | 84 | Confident | 84.4 | Confident | 146 Ų | 146 | 99.1 Ų | 99.1 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 175.9 | -174.7 | -96.1 | 0 | 0 | 0 | 112.4 | V11 Y12 A18 H19 | V11-F15 WeakPolarHBondContact O-CB 3.3Å; V11-F15 PolarHBondContact O-N 3.46Å; Y12-F15 PolarHBondContact O-N 3.15Å; F15-A18 PolarHBondContact O-N 3.35Å; F15-H19 WeakPolarHBondContact O-CB 3.34Å; F15-H19 PolarHBondContact O-N 2.95Å |
| 16 | Q | 86.7 | Confident | 84.6 | Confident | 90 Ų | 90 | 97.9 Ų | 97.9 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.8 | -78.3 | -169 | -22.9 | 0 | 0 | 111.7 | Y12 Q13 H19 T20 | Y12-Q16 HydrophobicContact CD1-CG 4.33Å; Y12-Q16 HydrophobicContact CE1-CG 3.94Å; Y12-Q16 VanDerWaalsContact CZ-NE2 3.26Å; Y12-Q16 WeakPolarHBondContact O-CG 3.29Å; Y12-Q16 PolarHBondContact O-N 2.85Å; Y12-Q16 PolarHBondContact OH-NE2 3.46Å; Q13-Q16 PolarHBondContact O-N 2.86Å; Q16-H19 PolarHBondContact O-N 2.76Å; Q16-T20 WeakPolarHBondContact O-CG2 3.36Å; Q16-T20 PolarHBondContact O-N 3.03Å; Q16-T20 PolarHBondContact O-OG1 2.94Å |
| 17 | S | 84.4 | Confident | 84.8 | Confident | 62 Ų | 62 | 93.7 Ų | 93.7 | 43% | 0.434 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | Q13 D14 T20 L21 | Q13-S17 WeakPolarHBondContact O-CB 3.49Å; Q13-S17 PolarHBondContact O-N 3.37Å; Q13-S17 PolarHBondContact O-OG 2.98Å; D14-S17 PolarHBondContact O-N 3.4Å; S17-T20 PolarHBondContact O-N 3.44Å; S17-T20 PolarHBondContact O-OG1 2.88Å; S17-L21 WeakPolarHBondContact O-CB 3.33Å; S17-L21 VanDerWaalsContact O-CG 3.24Å; S17-L21 WeakPolarHBondContact O-CG 3.48Å; S17-L21 PolarHBondContact O-N 2.89Å |
| 18 | A | 83.5 | Confident | 85.1 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D14 F15 L21 I22 | D14-A18 WeakPolarHBondContact O-CB 3.27Å; D14-A18 PolarHBondContact O-N 3.2Å; F15-A18 PolarHBondContact O-N 3.35Å; A18-L21 PolarHBondContact O-N 2.95Å; A18-I22 WeakPolarHBondContact O-CB 3.43Å; A18-I22 WeakPolarHBondContact O-CD1 3.48Å; A18-I22 WeakPolarHBondContact O-CG1 3.34Å; A18-I22 PolarHBondContact O-N 3.24Å |
| 19 | H | 85 | Confident | 85.1 | Confident | 117 Ų | 117 | 87.1 Ų | 87.1 | 54% | 0.542 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 178.5 | -179.9 | -89.3 | 0 | 0 | 0 | 112.3 | F15 Q16 I22 S23 | F15-H19 WeakPolarHBondContact O-CB 3.34Å; F15-H19 PolarHBondContact O-N 2.95Å; Q16-H19 PolarHBondContact O-N 2.76Å; H19-I22 PolarHBondContact O-N 2.79Å; H19-S23 WeakPolarHBondContact O-CB 3.44Å; H19-S23 PolarHBondContact O-N 3.22Å; H19-S23 PolarHBondContact O-OG 3.38Å |
| 20 | T | 87.5 | Confident | 85.2 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | Q16 S17 S23 Y24 | Q16-T20 WeakPolarHBondContact O-CG2 3.36Å; Q16-T20 PolarHBondContact O-N 3.03Å; Q16-T20 PolarHBondContact O-OG1 2.94Å; S17-T20 PolarHBondContact O-N 3.44Å; S17-T20 PolarHBondContact O-OG1 2.88Å; T20-S23 PolarHBondContact O-N 2.89Å; T20-S23 PolarHBondContact O-OG 2.94Å; T20-Y24 WeakPolarHBondContact O-CB 3.44Å; T20-Y24 PolarHBondContact O-N 3.33Å |
| 21 | L | 84.7 | Confident | 85.4 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 59% | 0.586 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.5 | -46.2 | 175.1 | -70.4 | 175.1 | 0 | 0 | 0 | 112.5 | S17 A18 S23 Y24 L25 | S17-L21 WeakPolarHBondContact O-CB 3.33Å; S17-L21 VanDerWaalsContact O-CG 3.24Å; S17-L21 WeakPolarHBondContact O-CG 3.48Å; S17-L21 PolarHBondContact O-N 2.89Å; A18-L21 PolarHBondContact O-N 2.95Å; L21-S23 PolarHBondContact O-N 2.66Å; L21-Y24 PolarHBondContact O-N 2.84Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.11Å |
| 22 | I | 83 | Confident | 85.5 | Confident | 102 Ų | 102 | 88.8 Ų | 88.8 | 52% | 0.523 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.9 | -69.2 | 164.4 | 0 | 0 | 0 | 110.4 | A18 H19 Y24 L25 V26 | A18-I22 WeakPolarHBondContact O-CB 3.43Å; A18-I22 WeakPolarHBondContact O-CD1 3.48Å; A18-I22 WeakPolarHBondContact O-CG1 3.34Å; A18-I22 PolarHBondContact O-N 3.24Å; H19-I22 PolarHBondContact O-N 2.79Å; I22-Y24 VanDerWaalsContact C-N 3.31Å; I22-Y24 PolarHBondContact O-N 3.3Å; I22-L25 PolarHBondContact O-N 2.99Å; I22-V26 HydrophobicContact CG2-CG2 4.2Å; I22-V26 WeakPolarHBondContact O-CB 3.49Å; I22-V26 VanDerWaalsContact O-CG2 3.24Å; I22-V26 WeakPolarHBondContact O-CG2 3.26Å; I22-V26 PolarHBondContact O-N 3.24Å |
| 23 | S | 84.3 | Confident | 85.3 | Confident | 59 Ų | 59 | 83.7 Ų | 83.7 | 41% | 0.413 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 179.3 | 75.5 | 0 | 0 | 0 | 0 | 112.1 | H19 T20 L21 S27 | H19-S23 WeakPolarHBondContact O-CB 3.44Å; H19-S23 PolarHBondContact O-N 3.22Å; H19-S23 PolarHBondContact O-OG 3.38Å; T20-S23 PolarHBondContact O-N 2.89Å; T20-S23 PolarHBondContact O-OG 2.94Å; L21-S23 PolarHBondContact O-N 2.66Å; S23-S27 WeakPolarHBondContact O-CB 3.37Å; S23-S27 PolarHBondContact O-N 2.75Å |
| 24 | Y | 87.4 | Confident | 85.4 | Confident | 129 Ų | 129 | 86.5 Ų | 86.5 | 51% | 0.506 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 175.1 | -179.7 | -98 | 0 | 0 | 0 | 111 | T20 L21 I22 V26 S27 E28 | T20-Y24 WeakPolarHBondContact O-CB 3.44Å; T20-Y24 PolarHBondContact O-N 3.33Å; L21-Y24 PolarHBondContact O-N 2.84Å; I22-Y24 VanDerWaalsContact C-N 3.31Å; I22-Y24 PolarHBondContact O-N 3.3Å; Y24-V26 PolarHBondContact O-N 3.4Å; Y24-S27 WeakPolarHBondContact O-CB 3.43Å; Y24-S27 PolarHBondContact O-N 2.86Å; Y24-S27 VanDerWaalsContact O-N 3.08Å; Y24-S27 PolarHBondContact O-OG 2.93Å; Y24-E28 HydrophobicContact CD1-CG 4.37Å; Y24-E28 HydrophobicContact CE1-CG 3.89Å; Y24-E28 HydrophobicContact CE2-CG 4.38Å; Y24-E28 PolarHBondContact O-N 3.34Å |
| 25 | L | 85.4 | Confident | 85.5 | Confident | 101 Ų | 101 | 87.2 Ų | 87.2 | 53% | 0.529 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 176.3 | -74.4 | 172.3 | 0 | 0 | 0 | 112.1 | L21 I22 S27 E28 I29 | L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.11Å; I22-L25 PolarHBondContact O-N 2.99Å; L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.06Å; L25-E28 PolarHBondContact O-N 3.04Å; L25-I29 WeakPolarHBondContact O-CB 3.33Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 2.83Å |
| 26 | V | 85.1 | Confident | 85.6 | Confident | 62 Ų | 62 | 83 Ų | 83 | 38% | 0.376 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | I22 Y24 K30 | I22-V26 HydrophobicContact CG2-CG2 4.2Å; I22-V26 WeakPolarHBondContact O-CB 3.49Å; I22-V26 VanDerWaalsContact O-CG2 3.24Å; I22-V26 WeakPolarHBondContact O-CG2 3.26Å; I22-V26 PolarHBondContact O-N 3.24Å; Y24-V26 PolarHBondContact O-N 3.4Å; V26-K30 HydrophobicContact CG1-CD 4.01Å; V26-K30 HydrophobicContact CG1-CG 4.43Å; V26-K30 VanDerWaalsContact O-CB 3.29Å; V26-K30 WeakPolarHBondContact O-CB 3.29Å; V26-K30 WeakPolarHBondContact O-CG 3.39Å; V26-K30 PolarHBondContact O-N 3.11Å |
| 27 | S | 88 | Confident | 85.8 | Confident | 45 Ų | 45 | 82.6 Ų | 82.6 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -44 | 177.5 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | S23 Y24 L25 K30 Q31 | S23-S27 WeakPolarHBondContact O-CB 3.37Å; S23-S27 PolarHBondContact O-N 2.75Å; Y24-S27 WeakPolarHBondContact O-CB 3.43Å; Y24-S27 PolarHBondContact O-N 2.86Å; Y24-S27 VanDerWaalsContact O-N 3.08Å; Y24-S27 PolarHBondContact O-OG 2.93Å; L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.06Å; S27-K30 PolarHBondContact O-N 3.42Å; S27-Q31 WeakPolarHBondContact O-CG 3.48Å; S27-Q31 PolarHBondContact O-N 2.68Å |
| 28 | E | 86.4 | Confident | 86.2 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 14% | 0.136 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.5 | -75.3 | -78.3 | 136.8 | 0 | 0 | 111 | Y24 L25 K30 Q31 L32 W90 K94 | Y24-E28 HydrophobicContact CD1-CG 4.37Å; Y24-E28 HydrophobicContact CE1-CG 3.89Å; Y24-E28 HydrophobicContact CE2-CG 4.38Å; Y24-E28 PolarHBondContact O-N 3.34Å; L25-E28 PolarHBondContact O-N 3.04Å; E28-K30 VanDerWaalsContact C-N 3.33Å; E28-K30 PolarHBondContact O-N 2.95Å; E28-Q31 PolarHBondContact O-N 3.31Å; E28-L32 WeakPolarHBondContact O-CB 3.28Å; E28-L32 PolarHBondContact O-N 2.87Å; E28-W90 PolarHBondContact OE2-NE1 3.41Å; E28-K94 IonicContact OE1-NZ 3.67Å; E28-K94 IonicContact OE2-NZ 3.92Å; E28-K94 PolarHBondContact OE2-NZ 2.83Å |
| 29 | I | 84.4 | Confident | 86.6 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 33% | 0.328 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 175.1 | -68.9 | 167.9 | 0 | 0 | 0 | 110.5 | L25 Q31 L32 A33 V43 | L25-I29 WeakPolarHBondContact O-CB 3.33Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 2.83Å; I29-Q31 VanDerWaalsContact C-N 3.34Å; I29-Q31 PolarHBondContact O-N 2.92Å; I29-L32 PolarHBondContact O-N 3.08Å; I29-A33 WeakPolarHBondContact O-CB 3.33Å; I29-A33 PolarHBondContact O-N 2.9Å; I29-V43 HydrophobicContact CG2-CG2 3.61Å |
| 30 | K | 86.7 | Confident | 86.9 | Confident | 136 Ų | 136 | 78.9 Ų | 78.9 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | 175.1 | -79.6 | 174.3 | -179.5 | 177.1 | 0 | 111.8 | V26 S27 E28 K34 | V26-K30 HydrophobicContact CG1-CD 4.01Å; V26-K30 HydrophobicContact CG1-CG 4.43Å; V26-K30 VanDerWaalsContact O-CB 3.29Å; V26-K30 WeakPolarHBondContact O-CB 3.29Å; V26-K30 WeakPolarHBondContact O-CG 3.39Å; V26-K30 PolarHBondContact O-N 3.11Å; S27-K30 PolarHBondContact O-N 3.42Å; E28-K30 VanDerWaalsContact C-N 3.33Å; E28-K30 PolarHBondContact O-N 2.95Å; K30-K34 WeakPolarHBondContact O-CG 3.49Å; K30-K34 PolarHBondContact O-N 3.06Å; K30-K34 VanDerWaalsContact O-N 3.12Å |
| 31 | Q | 88.2 | Confident | 87.3 | Confident | 105 Ų | 105 | 82 Ų | 82 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 175.5 | -72.9 | 179 | 13.3 | 0 | 0 | 111.3 | S27 E28 I29 A33 K34 I35 | S27-Q31 WeakPolarHBondContact O-CG 3.48Å; S27-Q31 PolarHBondContact O-N 2.68Å; E28-Q31 PolarHBondContact O-N 3.31Å; I29-Q31 VanDerWaalsContact C-N 3.34Å; I29-Q31 PolarHBondContact O-N 2.92Å; Q31-A33 PolarHBondContact O-N 3.22Å; Q31-K34 WeakPolarHBondContact O-CB 3.3Å; Q31-K34 PolarHBondContact O-N 3.18Å; Q31-K34 VanDerWaalsContact O-N 3.15Å; Q31-I35 WeakPolarHBondContact O-CG1 3.2Å; Q31-I35 PolarHBondContact O-N 3.42Å |
| 32 | L | 85.1 | Confident | 87.7 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 177.5 | -173 | 65.7 | 0 | 0 | 0 | 111.4 | E28 I29 K34 I35 E36 A39 F89 W90 R93 | E28-L32 WeakPolarHBondContact O-CB 3.28Å; E28-L32 PolarHBondContact O-N 2.87Å; I29-L32 PolarHBondContact O-N 3.08Å; L32-K34 VanDerWaalsContact C-N 3.27Å; L32-K34 PolarHBondContact O-N 3.39Å; L32-I35 PolarHBondContact O-N 2.89Å; L32-I35 VanDerWaalsContact O-N 3.14Å; L32-E36 HydrophobicContact CD1-CG 4.38Å; L32-E36 PolarHBondContact O-N 3.21Å; L32-A39 HydrophobicContact CD2-CB 4.08Å; L32-A39 HydrophobicContact CG-CB 3.76Å; L32-F89 HydrophobicContact CD1-CB 4.29Å; L32-F89 HydrophobicContact CD2-CB 4.09Å; L32-W90 HydrophobicContact CD2-CB 4.16Å; L32-R93 HydrophobicContact CD1-CG 4.48Å |
| 33 | A | 83.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 73 Ų | 73 | 22% | 0.223 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.5 | -25.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I29 Q31 I35 V40 | I29-A33 WeakPolarHBondContact O-CB 3.33Å; I29-A33 PolarHBondContact O-N 2.9Å; Q31-A33 PolarHBondContact O-N 3.22Å; A33-I35 VanDerWaalsContact C-N 3.3Å; A33-V40 HydrophobicContact CB-CG2 4.02Å; A33-V40 WeakPolarHBondContact O-CG2 3.46Å |
| 34 | K | 86.2 | Confident | 88.8 | Confident | 180 Ų | 180 | 78.5 Ų | 78.5 | 78% | 0.783 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -72.1 | -26.4 | 174.1 | -79.1 | 176 | -179.4 | -174.5 | 0 | 112.9 | K30 Q31 L32 | K30-K34 WeakPolarHBondContact O-CG 3.49Å; K30-K34 PolarHBondContact O-N 3.06Å; K30-K34 VanDerWaalsContact O-N 3.12Å; Q31-K34 WeakPolarHBondContact O-CB 3.3Å; Q31-K34 PolarHBondContact O-N 3.18Å; Q31-K34 VanDerWaalsContact O-N 3.15Å; L32-K34 VanDerWaalsContact C-N 3.27Å; L32-K34 PolarHBondContact O-N 3.39Å |
| 35 | I | 85.6 | Confident | 89.2 | Confident | 125 Ų | 125 | 72.9 Ų | 72.9 | 64% | 0.641 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -100.5 | -46.5 | -171.3 | -60 | 168.2 | 0 | 0 | 0 | 110.6 | Q31 L32 A33 | Q31-I35 WeakPolarHBondContact O-CG1 3.2Å; Q31-I35 PolarHBondContact O-N 3.42Å; L32-I35 PolarHBondContact O-N 2.89Å; L32-I35 VanDerWaalsContact O-N 3.14Å; A33-I35 VanDerWaalsContact C-N 3.3Å |
| 36 | E | 86.5 | Confident | 89.8 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | trans | -106.2 | 111.7 | -171.4 | -71.8 | -67.8 | 165.3 | 0 | 0 | 111.6 | L32 K38 A39 V40 | L32-E36 HydrophobicContact CD1-CG 4.38Å; L32-E36 PolarHBondContact O-N 3.21Å; E36-K38 PolarHBondContact O-N 2.91Å; E36-A39 HydrophobicContact CB-CB 3.84Å; E36-A39 WeakPolarHBondContact O-CB 3.35Å; E36-A39 PolarHBondContact O-N 3.49Å; E36-V40 PolarHBondContact O-N 2.83Å | ||
| 37 | A | 90.7 | Very high | 90.3 | Very high | 81 Ų | 81 | 72.5 Ų | 72.5 | 67% | 0.669 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.5 | -31.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V40 R41 | A37-V40 PolarHBondContact O-N 3.34Å; A37-R41 PolarHBondContact O-N 3.14Å |
| 38 | K | 92.2 | Very high | 90.8 | Very high | 107 Ų | 107 | 73.5 Ų | 73.5 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 174.5 | -63.6 | -168.7 | 179.4 | -156.2 | 0 | 112 | E36 V40 R41 A42 F89 D165 | E36-K38 PolarHBondContact O-N 2.91Å; K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 3.39Å; K38-R41 WeakPolarHBondContact O-CB 3.29Å; K38-R41 PolarHBondContact O-N 3.03Å; K38-A42 PolarHBondContact O-N 3.19Å; K38-F89 HydrophobicContact CB-CE1 4.28Å; K38-F89 HydrophobicContact CB-CE2 4.14Å; K38-F89 HydrophobicContact CB-CZ 3.89Å; K38-F89 HydrophobicContact CD-CE1 4.4Å; K38-D165 IonicContact NZ-OD2 2.61Å; K38-D165 PolarHBondContact NZ-OD2 2.92Å |
| 39 | A | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L32 E36 R41 A42 V43 L86 F89 | L32-A39 HydrophobicContact CD2-CB 4.08Å; L32-A39 HydrophobicContact CG-CB 3.76Å; E36-A39 HydrophobicContact CB-CB 3.84Å; E36-A39 WeakPolarHBondContact O-CB 3.35Å; E36-A39 PolarHBondContact O-N 3.49Å; A39-R41 VanDerWaalsContact C-N 3.31Å; A39-R41 PolarHBondContact O-N 3.44Å; A39-A42 PolarHBondContact O-N 3.33Å; A39-V43 VanDerWaalsContact O-CG2 3.32Å; A39-V43 WeakPolarHBondContact O-CG2 3.39Å; A39-V43 PolarHBondContact O-N 2.86Å; A39-L86 HydrophobicContact CB-CD2 4.38Å; A39-F89 HydrophobicContact CB-CD2 4.01Å |
| 40 | V | 92.8 | Very high | 92 | Very high | 36 Ų | 36 | 73 Ų | 73 | 22% | 0.218 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.9 | -45 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | A33 E36 A37 K38 V43 R44 | A33-V40 HydrophobicContact CB-CG2 4.02Å; A33-V40 WeakPolarHBondContact O-CG2 3.46Å; E36-V40 PolarHBondContact O-N 2.83Å; A37-V40 PolarHBondContact O-N 3.34Å; K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 3.39Å; V40-V43 PolarHBondContact O-N 3.35Å; V40-R44 WeakPolarHBondContact O-CG 3.36Å; V40-R44 PolarHBondContact O-N 3.15Å |
| 41 | R | 94.4 | Very high | 92.5 | Very high | 148 Ų | 148 | 69.3 Ų | 69.3 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.7 | -46.8 | 177.9 | -173.3 | -176.4 | -67.4 | 172.9 | -2.7 | 111.2 | A37 K38 A39 V43 R44 I45 G163 | A37-R41 PolarHBondContact O-N 3.14Å; K38-R41 WeakPolarHBondContact O-CB 3.29Å; K38-R41 PolarHBondContact O-N 3.03Å; A39-R41 VanDerWaalsContact C-N 3.31Å; A39-R41 PolarHBondContact O-N 3.44Å; R41-V43 PolarHBondContact O-N 2.76Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-I45 HydrophobicContact CG-CD1 3.93Å; R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 3.49Å; R41-G163 WeakPolarHBondContact CD-O 3.35Å |
| 42 | A | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K38 A39 R44 I45 A46 V82 L86 F89 V164 | K38-A42 PolarHBondContact O-N 3.19Å; A39-A42 PolarHBondContact O-N 3.33Å; A42-R44 PolarHBondContact O-N 3.45Å; A42-I45 PolarHBondContact O-N 2.61Å; A42-A46 WeakPolarHBondContact O-CB 3.29Å; A42-A46 PolarHBondContact O-N 3.06Å; A42-V82 HydrophobicContact CB-CG1 4.15Å; A42-V82 VanDerWaalsContact O-CG1 3.3Å; A42-V82 WeakPolarHBondContact O-CG1 3.11Å; A42-L86 HydrophobicContact CB-CD2 3.73Å; A42-L86 HydrophobicContact CB-CG 4.2Å; A42-F89 HydrophobicContact CB-CE2 4.09Å; A42-V164 HydrophobicContact CB-CG1 3.99Å; A42-V164 HydrophobicContact CB-CG2 4.19Å |
| 43 | V | 94.5 | Very high | 93.6 | Very high | 25 Ų | 25 | 64.8 Ų | 64.8 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | I29 A39 V40 R41 I45 A46 F47 L86 | I29-V43 HydrophobicContact CG2-CG2 3.61Å; A39-V43 VanDerWaalsContact O-CG2 3.32Å; A39-V43 WeakPolarHBondContact O-CG2 3.39Å; A39-V43 PolarHBondContact O-N 2.86Å; V40-V43 PolarHBondContact O-N 3.35Å; R41-V43 PolarHBondContact O-N 2.76Å; V43-I45 VanDerWaalsContact C-N 3.34Å; V43-I45 PolarHBondContact O-N 3.24Å; V43-A46 WeakPolarHBondContact O-CB 3.5Å; V43-A46 PolarHBondContact O-N 3.24Å; V43-F47 HydrophobicContact CG1-CD2 3.82Å; V43-F47 HydrophobicContact CG1-CE2 3.49Å; V43-F47 VanDerWaalsContact CG1-CE2 3.49Å; V43-F47 WeakPolarHBondContact O-CD2 3.4Å; V43-F47 PolarHBondContact O-N 3.28Å; V43-L86 HydrophobicContact CG2-CD1 4.24Å; V43-L86 HydrophobicContact CG2-CD2 3.82Å |
| 44 | R | 95.5 | Very high | 94.2 | Very high | 173 Ų | 173 | 68.4 Ų | 68.4 | 65% | 0.653 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61 | -43.3 | 176.5 | -73.2 | 175.6 | -172.6 | 169.4 | 4.1 | 111.8 | V40 R41 A42 F47 V48 | V40-R44 WeakPolarHBondContact O-CG 3.36Å; V40-R44 PolarHBondContact O-N 3.15Å; R41-R44 PolarHBondContact O-N 3.19Å; A42-R44 PolarHBondContact O-N 3.45Å; R44-F47 PolarHBondContact O-N 3.4Å; R44-V48 WeakPolarHBondContact O-CG2 3.19Å; R44-V48 PolarHBondContact O-N 3.15Å; R44-V48 VanDerWaalsContact O-N 3.1Å |
| 45 | I | 96.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.6 | -69.6 | 170.6 | 0 | 0 | 0 | 110.6 | R41 A42 V43 F47 V48 I49 V82 L159 G163 V164 | R41-I45 HydrophobicContact CG-CD1 3.93Å; R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 3.49Å; A42-I45 PolarHBondContact O-N 2.61Å; V43-I45 VanDerWaalsContact C-N 3.34Å; V43-I45 PolarHBondContact O-N 3.24Å; I45-F47 VanDerWaalsContact C-N 3.29Å; I45-F47 PolarHBondContact O-N 3.11Å; I45-V48 WeakPolarHBondContact O-CB 3.4Å; I45-V48 PolarHBondContact O-N 3.12Å; I45-V48 VanDerWaalsContact O-N 3.07Å; I45-I49 HydrophobicContact CG2-CD1 3.81Å; I45-I49 HydrophobicContact CG2-CG1 4.26Å; I45-I49 WeakPolarHBondContact O-CG1 2.88Å; I45-I49 PolarHBondContact O-N 3.34Å; I45-V82 HydrophobicContact CG2-CG2 4.26Å; I45-L159 HydrophobicContact CD1-CD1 4.32Å; I45-L159 HydrophobicContact CD1-CG 4.42Å; I45-L159 HydrophobicContact CG1-CD1 4.44Å; I45-L159 HydrophobicContact CG1-CD2 4.49Å; I45-L159 HydrophobicContact CG1-CG 4.24Å; I45-L159 HydrophobicContact CG2-CG 4.49Å; I45-G163 WeakPolarHBondContact CD1-O 3.43Å; I45-V164 HydrophobicContact CB-CG2 4.09Å; I45-V164 HydrophobicContact CD1-CG2 3.55Å; I45-V164 HydrophobicContact CG1-CG2 4.41Å; I45-V164 HydrophobicContact CG2-CG2 4.05Å |
| 46 | A | 96.3 | Very high | 95.2 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A42 V43 I49 L50 L79 V82 | A42-A46 WeakPolarHBondContact O-CB 3.29Å; A42-A46 PolarHBondContact O-N 3.06Å; V43-A46 WeakPolarHBondContact O-CB 3.5Å; V43-A46 PolarHBondContact O-N 3.24Å; A46-I49 PolarHBondContact O-N 3.46Å; A46-L50 WeakPolarHBondContact O-CB 3.35Å; A46-L50 PolarHBondContact O-N 2.83Å; A46-L79 HydrophobicContact CB-CD1 4.07Å; A46-V82 HydrophobicContact CB-CG1 3.85Å |
| 47 | F | 96.6 | Very high | 95.6 | Very high | 139 Ų | 139 | 60.1 Ų | 60.1 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | 174.2 | -78.9 | -66.4 | 0 | 0 | 0 | 112.8 | V43 R44 I45 L50 A51 | V43-F47 HydrophobicContact CG1-CD2 3.82Å; V43-F47 HydrophobicContact CG1-CE2 3.49Å; V43-F47 VanDerWaalsContact CG1-CE2 3.49Å; V43-F47 WeakPolarHBondContact O-CD2 3.4Å; V43-F47 PolarHBondContact O-N 3.28Å; R44-F47 PolarHBondContact O-N 3.4Å; I45-F47 VanDerWaalsContact C-N 3.29Å; I45-F47 PolarHBondContact O-N 3.11Å; F47-L50 PolarHBondContact O-N 3.37Å; F47-A51 WeakPolarHBondContact O-CB 3.36Å; F47-A51 PolarHBondContact O-N 3.14Å |
| 48 | V | 97.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 39% | 0.394 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | R44 I45 A51 C52 V156 L159 | R44-V48 WeakPolarHBondContact O-CG2 3.19Å; R44-V48 PolarHBondContact O-N 3.15Å; R44-V48 VanDerWaalsContact O-N 3.1Å; I45-V48 WeakPolarHBondContact O-CB 3.4Å; I45-V48 PolarHBondContact O-N 3.12Å; I45-V48 VanDerWaalsContact O-N 3.07Å; V48-A51 PolarHBondContact O-N 3.22Å; V48-C52 WeakPolarHBondContact O-CB 3.46Å; V48-C52 PolarHBondContact O-N 2.97Å; V48-V156 HydrophobicContact CG1-CG1 4.46Å; V48-V156 HydrophobicContact CG1-CG2 4.2Å; V48-L159 HydrophobicContact CG1-CD2 4.05Å |
| 49 | I | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 176 | -63.9 | 165.4 | 0 | 0 | 0 | 110.2 | I45 A46 A51 C52 L53 L75 D78 L79 V82 V156 | I45-I49 HydrophobicContact CG2-CD1 3.81Å; I45-I49 HydrophobicContact CG2-CG1 4.26Å; I45-I49 WeakPolarHBondContact O-CG1 2.88Å; I45-I49 PolarHBondContact O-N 3.34Å; A46-I49 PolarHBondContact O-N 3.46Å; I49-A51 PolarHBondContact O-N 3.48Å; I49-C52 WeakPolarHBondContact O-CB 3.24Å; I49-C52 PolarHBondContact O-N 3.13Å; I49-L53 HydrophobicContact CG2-CD1 3.98Å; I49-L53 HydrophobicContact CG2-CG 4.27Å; I49-L53 WeakPolarHBondContact O-CB 3.32Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 3.35Å; I49-L75 HydrophobicContact CG2-CD2 4.48Å; I49-D78 HydrophobicContact CD1-CB 4.36Å; I49-L79 HydrophobicContact CG2-CB 3.86Å; I49-L79 HydrophobicContact CG2-CD1 4.39Å; I49-V82 HydrophobicContact CD1-CG2 3.72Å; I49-V156 HydrophobicContact CB-CG1 4.31Å; I49-V156 HydrophobicContact CG1-CG1 3.72Å |
| 50 | L | 97.3 | Very high | 96.2 | Very high | 81 Ų | 81 | 58 Ų | 58 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 178.7 | -176.4 | 63.8 | 0 | 0 | 0 | 112.1 | A46 F47 C52 L53 L54 | A46-L50 WeakPolarHBondContact O-CB 3.35Å; A46-L50 PolarHBondContact O-N 2.83Å; F47-L50 PolarHBondContact O-N 3.37Å; L50-C52 VanDerWaalsContact C-N 3.34Å; L50-C52 PolarHBondContact O-N 3.44Å; L50-L53 PolarHBondContact O-N 2.92Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.37Å |
| 51 | A | 97.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 63 Ų | 63 | 49% | 0.488 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F47 V48 I49 L54 Y55 | F47-A51 WeakPolarHBondContact O-CB 3.36Å; F47-A51 PolarHBondContact O-N 3.14Å; V48-A51 PolarHBondContact O-N 3.22Å; I49-A51 PolarHBondContact O-N 3.48Å; A51-L54 PolarHBondContact O-N 3.39Å; A51-Y55 PolarHBondContact O-N 2.91Å; A51-Y55 VanDerWaalsContact O-N 3.1Å |
| 52 | C | 97.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.054 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | V48 I49 L50 L54 Y55 L56 V156 | V48-C52 WeakPolarHBondContact O-CB 3.46Å; V48-C52 PolarHBondContact O-N 2.97Å; I49-C52 WeakPolarHBondContact O-CB 3.24Å; I49-C52 PolarHBondContact O-N 3.13Å; L50-C52 VanDerWaalsContact C-N 3.34Å; L50-C52 PolarHBondContact O-N 3.44Å; C52-L54 PolarHBondContact O-N 3.36Å; C52-Y55 PolarHBondContact O-N 3.48Å; C52-L56 WeakPolarHBondContact O-CB 3.44Å; C52-L56 WeakPolarHBondContact O-CG 2.84Å; C52-L56 PolarHBondContact O-N 2.88Å; C52-V156 HydrophobicContact CB-CB 4.39Å; C52-V156 HydrophobicContact CB-CG1 4.09Å; C52-V156 HydrophobicContact CB-CG2 3.94Å |
| 53 | L | 97.8 | Very high | 96 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 174.8 | -76.5 | 172.8 | 0 | 0 | 0 | 112.1 | I49 L50 L56 L57 T72 L75 I76 L79 | I49-L53 HydrophobicContact CG2-CD1 3.98Å; I49-L53 HydrophobicContact CG2-CG 4.27Å; I49-L53 WeakPolarHBondContact O-CB 3.32Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 3.35Å; L50-L53 PolarHBondContact O-N 2.92Å; L53-L56 PolarHBondContact O-N 2.87Å; L53-L57 WeakPolarHBondContact O-CB 3.2Å; L53-L57 PolarHBondContact O-N 2.79Å; L53-T72 HydrophobicContact CD2-CG2 3.85Å; L53-T72 WeakPolarHBondContact CD2-O 3.49Å; L53-L75 HydrophobicContact CD2-CB 3.51Å; L53-L75 HydrophobicContact CG-CB 4.19Å; L53-I76 HydrophobicContact CD1-CG1 4.12Å; L53-I76 HydrophobicContact CD2-CG1 3.78Å; L53-L79 HydrophobicContact CD1-CB 4.39Å; L53-L79 HydrophobicContact CD1-CD2 4.05Å |
| 54 | L | 96.8 | Very high | 96 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.3 | -69.2 | 174.4 | 0 | 0 | 0 | 112 | L50 A51 C52 L57 I58 | L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.37Å; A51-L54 PolarHBondContact O-N 3.39Å; C52-L54 PolarHBondContact O-N 3.36Å; L54-L57 PolarHBondContact O-N 2.89Å; L54-I58 WeakPolarHBondContact O-CG1 3.46Å; L54-I58 PolarHBondContact O-N 3.4Å |
| 55 | Y | 96.9 | Very high | 95.9 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 174 | 167.1 | -103.4 | 0 | 0 | 0 | 111.8 | A51 C52 L57 I58 E59 P149 I152 | A51-Y55 PolarHBondContact O-N 2.91Å; A51-Y55 VanDerWaalsContact O-N 3.1Å; C52-Y55 PolarHBondContact O-N 3.48Å; Y55-L57 VanDerWaalsContact C-N 3.3Å; Y55-L57 PolarHBondContact O-N 3.39Å; Y55-I58 WeakPolarHBondContact O-CB 3.42Å; Y55-I58 PolarHBondContact O-N 2.81Å; Y55-I58 VanDerWaalsContact O-N 3.15Å; Y55-E59 HydrophobicContact CD1-CG 4.48Å; Y55-E59 HydrophobicContact CD2-CG 4.29Å; Y55-E59 HydrophobicContact CE1-CG 4Å; Y55-E59 HydrophobicContact CE2-CG 3.79Å; Y55-E59 WeakPolarHBondContact CE2-OE1 3.49Å; Y55-E59 PolarHBondContact O-N 3.34Å; Y55-E59 PolarHBondContact OH-OE1 2.79Å; Y55-P149 HydrophobicContact CE1-CB 3.88Å; Y55-P149 HydrophobicContact CE1-CG 4.21Å; Y55-I152 HydrophobicContact CE1-CD1 3.84Å |
| 56 | L | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -34.2 | 177.6 | -75.9 | 169.8 | 0 | 0 | 0 | 112.6 | C52 L53 I58 E59 C60 L68 T72 L75 P149 A153 | C52-L56 WeakPolarHBondContact O-CB 3.44Å; C52-L56 WeakPolarHBondContact O-CG 2.84Å; C52-L56 PolarHBondContact O-N 2.88Å; L53-L56 PolarHBondContact O-N 2.87Å; L56-I58 VanDerWaalsContact C-N 3.27Å; L56-I58 PolarHBondContact O-N 3.06Å; L56-E59 PolarHBondContact O-N 3.02Å; L56-C60 WeakPolarHBondContact O-CB 3.16Å; L56-C60 PolarHBondContact O-N 3.39Å; L56-C60 PolarHBondContact O-SG 2.89Å; L56-L68 HydrophobicContact CD2-CD1 4.09Å; L56-L68 HydrophobicContact CD2-CG 4.47Å; L56-T72 HydrophobicContact CB-CG2 4.24Å; L56-L75 HydrophobicContact CD1-CD1 3.19Å; L56-P149 HydrophobicContact CD2-CB 3.6Å; L56-A153 HydrophobicContact CD1-CB 3.91Å; L56-A153 HydrophobicContact CD2-CB 4.36Å |
| 57 | L | 95.3 | Very high | 95.8 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.4 | -40.5 | 174.2 | -178 | 63.4 | 0 | 0 | 0 | 111.6 | L53 L54 Y55 N61 | L53-L57 WeakPolarHBondContact O-CB 3.2Å; L53-L57 PolarHBondContact O-N 2.79Å; L54-L57 PolarHBondContact O-N 2.89Å; Y55-L57 VanDerWaalsContact C-N 3.3Å; Y55-L57 PolarHBondContact O-N 3.39Å; L57-N61 WeakPolarHBondContact O-CB 3.31Å; L57-N61 PolarHBondContact O-N 2.87Å; L57-N61 VanDerWaalsContact O-N 3.09Å |
| 58 | I | 95.8 | Very high | 95.8 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.1 | -48.3 | 176.2 | -62.1 | 165.6 | 0 | 0 | 0 | 110.2 | L54 Y55 L56 C60 N61 I62 | L54-I58 WeakPolarHBondContact O-CG1 3.46Å; L54-I58 PolarHBondContact O-N 3.4Å; Y55-I58 WeakPolarHBondContact O-CB 3.42Å; Y55-I58 PolarHBondContact O-N 2.81Å; Y55-I58 VanDerWaalsContact O-N 3.15Å; L56-I58 VanDerWaalsContact C-N 3.27Å; L56-I58 PolarHBondContact O-N 3.06Å; I58-C60 PolarHBondContact O-N 3.48Å; I58-N61 PolarHBondContact O-N 3.48Å; I58-I62 HydrophobicContact CG2-CD1 3.85Å; I58-I62 WeakPolarHBondContact O-CG1 3.4Å; I58-I62 PolarHBondContact O-N 2.86Å |
| 59 | E | 95.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -36.4 | -179.8 | -67.2 | -69 | 166.9 | 0 | 0 | 112.6 | Y55 L56 I62 S63 L68 H145 P149 | Y55-E59 HydrophobicContact CD1-CG 4.48Å; Y55-E59 HydrophobicContact CD2-CG 4.29Å; Y55-E59 HydrophobicContact CE1-CG 4Å; Y55-E59 HydrophobicContact CE2-CG 3.79Å; Y55-E59 WeakPolarHBondContact CE2-OE1 3.49Å; Y55-E59 PolarHBondContact O-N 3.34Å; Y55-E59 PolarHBondContact OH-OE1 2.79Å; L56-E59 PolarHBondContact O-N 3.02Å; E59-I62 PolarHBondContact O-N 2.87Å; E59-S63 WeakPolarHBondContact O-CB 3.33Å; E59-S63 PolarHBondContact O-N 3.34Å; E59-S63 PolarHBondContact O-OG 2.72Å; E59-L68 HydrophobicContact CB-CD2 4.25Å; E59-H145 WeakPolarHBondContact OE2-CB 3.46Å; E59-H145 IonicContact OE2-CE1 2.84Å; E59-H145 IonicContact OE2-CG 2.76Å; E59-H145 IonicContact OE2-ND1 3.52Å; E59-H145 PolarHBondContact OE2-ND1 2.87Å; E59-P149 HydrophobicContact CB-CB 4.14Å; E59-P149 HydrophobicContact CB-CG 3.8Å; E59-P149 HydrophobicContact CG-CB 4.12Å; E59-P149 HydrophobicContact CG-CG 3.56Å |
| 60 | C | 94.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 173.4 | -73.5 | 0 | 0 | 0 | 0 | 111.2 | L56 I58 I62 S63 N64 T72 | L56-C60 WeakPolarHBondContact O-CB 3.16Å; L56-C60 PolarHBondContact O-N 3.39Å; L56-C60 PolarHBondContact O-SG 2.89Å; I58-C60 PolarHBondContact O-N 3.48Å; C60-I62 VanDerWaalsContact C-N 3.34Å; C60-I62 PolarHBondContact O-N 2.81Å; C60-S63 WeakPolarHBondContact CA-OG 3.48Å; C60-S63 PolarHBondContact O-OG 2.84Å; C60-N64 VanDerWaalsContact O-CA 3.28Å; C60-N64 WeakPolarHBondContact O-CA 3.24Å; C60-N64 PolarHBondContact O-N 3.21Å; C60-T72 PolarHBondContact SG-OG1 3.33Å |
| 61 | N | 92.8 | Very high | 95.6 | Very high | 139 Ų | 139 | 40.4 Ų | 40.4 | 74% | 0.743 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67 | -34.2 | 176.6 | -172.7 | 70.8 | 0 | 0 | 0 | 112.6 | L57 I58 | L57-N61 WeakPolarHBondContact O-CB 3.31Å; L57-N61 PolarHBondContact O-N 2.87Å; L57-N61 VanDerWaalsContact O-N 3.09Å; I58-N61 PolarHBondContact O-N 3.48Å |
| 62 | I | 93.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 41% | 0.41 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -78.7 | -45.9 | 177 | -64.5 | 167.6 | 0 | 0 | 0 | 111.4 | I58 E59 C60 N64 | I58-I62 HydrophobicContact CG2-CD1 3.85Å; I58-I62 WeakPolarHBondContact O-CG1 3.4Å; I58-I62 PolarHBondContact O-N 2.86Å; E59-I62 PolarHBondContact O-N 2.87Å; C60-I62 VanDerWaalsContact C-N 3.34Å; C60-I62 PolarHBondContact O-N 2.81Å; I62-N64 VanDerWaalsContact C-N 3.33Å |
| 63 | S | 92.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.4 | -29.7 | -178.2 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | E59 C60 S65 I141 S142 | E59-S63 WeakPolarHBondContact O-CB 3.33Å; E59-S63 PolarHBondContact O-N 3.34Å; E59-S63 PolarHBondContact O-OG 2.72Å; C60-S63 WeakPolarHBondContact CA-OG 3.48Å; C60-S63 PolarHBondContact O-OG 2.84Å; S63-S65 PolarHBondContact O-N 2.84Å; S63-S65 VanDerWaalsContact O-N 3.16Å; S63-S65 PolarHBondContact OG-N 3.19Å; S63-I141 WeakPolarHBondContact O-CA 3.5Å; S63-S142 PolarHBondContact O-N 2.83Å |
| 64 | N | 92.7 | Very high | 95.4 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | trans | 51 | 27.3 | -167.6 | -159.4 | 12.6 | 0 | 0 | 0 | 112.7 | C60 I62 R134 E140 | C60-N64 VanDerWaalsContact O-CA 3.28Å; C60-N64 WeakPolarHBondContact O-CA 3.24Å; C60-N64 PolarHBondContact O-N 3.21Å; I62-N64 VanDerWaalsContact C-N 3.33Å; N64-R134 PolarHBondContact O-NH1 2.92Å; N64-R134 PolarHBondContact OD1-NH2 2.95Å; N64-E140 PolarHBondContact ND2-O 3.46Å | ||
| 65 | S | 94.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -84.3 | 124.7 | -178.4 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | S63 T67 L68 T69 M146 D246 | S63-S65 PolarHBondContact O-N 2.84Å; S63-S65 VanDerWaalsContact O-N 3.16Å; S63-S65 PolarHBondContact OG-N 3.19Å; S65-T67 PolarHBondContact OG-N 3.44Å; S65-L68 PolarHBondContact OG-N 2.85Å; S65-T69 WeakPolarHBondContact O-CB 3.4Å; S65-T69 PolarHBondContact O-N 3.43Å; S65-T69 VanDerWaalsContact O-N 3.09Å; S65-T69 PolarHBondContact O-OG1 3.34Å; S65-M146 WeakPolarHBondContact OG-CE 3.36Å; S65-D246 WeakPolarHBondContact CB-OD1 3.4Å; S65-D246 PolarHBondContact OG-OD1 3.47Å | ||
| 66 | L | 95 | Very high | 95.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | 172.8 | -171.9 | 65.9 | 0 | 0 | 0 | 111 | L68 T69 A70 E127 E130 A131 D246 | L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.04Å; L66-T69 WeakPolarHBondContact O-CB 3.35Å; L66-T69 PolarHBondContact O-N 3.34Å; L66-A70 PolarHBondContact O-N 3.01Å; L66-E127 HydrophobicContact CD1-CG 4.17Å; L66-E130 HydrophobicContact CD1-CB 4.02Å; L66-E130 HydrophobicContact CD1-CG 3.48Å; L66-E130 VanDerWaalsContact CD1-CG 3.48Å; L66-A131 VanDerWaalsContact CD2-CA 3.47Å; L66-A131 HydrophobicContact CD2-CB 3.49Å; L66-A131 VanDerWaalsContact CD2-CB 3.49Å; L66-D246 WeakPolarHBondContact CB-OD2 3.42Å; L66-D246 PolarHBondContact N-OD1 3.06Å; L66-D246 PolarHBondContact N-OD2 3.2Å |
| 67 | T | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | S65 A70 F71 V221 V224 D246 G249 G250 I253 | S65-T67 PolarHBondContact OG-N 3.44Å; T67-A70 WeakPolarHBondContact O-CB 3.5Å; T67-A70 PolarHBondContact O-N 2.84Å; T67-F71 PolarHBondContact O-N 3.49Å; T67-V221 HydrophobicContact CG2-CB 4.03Å; T67-V221 HydrophobicContact CG2-CG1 4.31Å; T67-V221 HydrophobicContact CG2-CG2 3.54Å; T67-V224 HydrophobicContact CG2-CG2 4.34Å; T67-D246 WeakPolarHBondContact CB-OD1 3.24Å; T67-D246 PolarHBondContact N-OD1 2.84Å; T67-D246 PolarHBondContact OG1-O 3.45Å; T67-D246 PolarHBondContact OG1-OD1 3.19Å; T67-D246 VanDerWaalsContact OG1-OD1 3.1Å; T67-G249 WeakPolarHBondContact OG1-CA 3.26Å; T67-G250 PolarHBondContact OG1-N 2.82Å; T67-I253 HydrophobicContact CG2-CD1 3.7Å |
| 68 | L | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.6 | -35.5 | 175.5 | -171.2 | 65.2 | 0 | 0 | 0 | 112.1 | L56 E59 S65 L66 A70 F71 T72 P149 | L56-L68 HydrophobicContact CD2-CD1 4.09Å; L56-L68 HydrophobicContact CD2-CG 4.47Å; E59-L68 HydrophobicContact CB-CD2 4.25Å; S65-L68 PolarHBondContact OG-N 2.85Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.04Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 3.06Å; L68-F71 WeakPolarHBondContact O-CB 3.48Å; L68-F71 PolarHBondContact O-N 2.96Å; L68-T72 PolarHBondContact O-N 3.36Å; L68-T72 PolarHBondContact O-OG1 3.23Å; L68-T72 VanDerWaalsContact O-OG1 3.07Å; L68-P149 HydrophobicContact CD1-CB 4.19Å; L68-P149 HydrophobicContact CD2-CB 4.21Å |
| 69 | T | 96.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 24.5 Ų | 24.5 | 23% | 0.233 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 172.8 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | S65 L66 F71 T72 H73 | S65-T69 WeakPolarHBondContact O-CB 3.4Å; S65-T69 PolarHBondContact O-N 3.43Å; S65-T69 VanDerWaalsContact O-N 3.09Å; S65-T69 PolarHBondContact O-OG1 3.34Å; L66-T69 WeakPolarHBondContact O-CB 3.35Å; L66-T69 PolarHBondContact O-N 3.34Å; T69-F71 PolarHBondContact O-N 3.39Å; T69-T72 WeakPolarHBondContact O-CA 3.42Å; T69-T72 VanDerWaalsContact O-CB 3.24Å; T69-T72 WeakPolarHBondContact O-CB 3.23Å; T69-T72 PolarHBondContact O-N 3.11Å; T69-H73 PolarHBondContact O-N 2.91Å; T69-H73 PolarHBondContact O-ND1 3.1Å |
| 70 | A | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.5 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L66 T67 L68 T72 H73 L74 E127 I253 | L66-A70 PolarHBondContact O-N 3.01Å; T67-A70 WeakPolarHBondContact O-CB 3.5Å; T67-A70 PolarHBondContact O-N 2.84Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 3.06Å; A70-T72 VanDerWaalsContact C-N 3.27Å; A70-T72 PolarHBondContact O-N 2.59Å; A70-H73 PolarHBondContact O-N 2.91Å; A70-L74 PolarHBondContact O-N 2.93Å; A70-L74 VanDerWaalsContact O-N 3.09Å; A70-E127 WeakPolarHBondContact CA-OE2 3.43Å; A70-E127 HydrophobicContact CB-CG 4.5Å; A70-E127 WeakPolarHBondContact CB-OE1 3.23Å; A70-E127 WeakPolarHBondContact CB-OE2 3.31Å; A70-I253 HydrophobicContact CB-CB 3.79Å; A70-I253 HydrophobicContact CB-CD1 3.82Å; A70-I253 HydrophobicContact CB-CG1 4.42Å; A70-I253 HydrophobicContact CB-CG2 3.56Å |
| 71 | F | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 173 | -149.9 | -43.5 | 0 | 0 | 0 | 110.7 | T67 L68 T69 H73 L74 L75 A153 F154 H157 T217 T218 V221 | T67-F71 PolarHBondContact O-N 3.49Å; L68-F71 WeakPolarHBondContact O-CB 3.48Å; L68-F71 PolarHBondContact O-N 2.96Å; T69-F71 PolarHBondContact O-N 3.39Å; F71-H73 VanDerWaalsContact C-N 3.31Å; F71-H73 PolarHBondContact O-N 3.01Å; F71-L74 HydrophobicContact CD1-CD2 4.49Å; F71-L74 HydrophobicContact CE1-CD2 4.35Å; F71-L74 WeakPolarHBondContact O-CA 3.4Å; F71-L74 WeakPolarHBondContact O-CB 3.44Å; F71-L74 PolarHBondContact O-N 2.87Å; F71-L74 VanDerWaalsContact O-N 3.08Å; F71-L75 HydrophobicContact CD1-CD1 4.46Å; F71-L75 HydrophobicContact CD1-CG 4.49Å; F71-L75 PolarHBondContact O-N 3.18Å; F71-A153 HydrophobicContact CD1-CB 3.63Å; F71-A153 HydrophobicContact CD2-CB 4.36Å; F71-A153 HydrophobicContact CE1-CB 3.53Å; F71-A153 HydrophobicContact CE2-CB 4.27Å; F71-A153 HydrophobicContact CG-CB 4.1Å; F71-A153 HydrophobicContact CZ-CB 3.89Å; F71-F154 HydrophobicContact CZ-CB 3.98Å; F71-H157 HydrophobicContact CE1-CB 4.44Å; F71-T217 HydrophobicContact CB-CG2 3.96Å; F71-T217 HydrophobicContact CD1-CG2 4.27Å; F71-T217 HydrophobicContact CD2-CG2 3.47Å; F71-T217 VanDerWaalsContact CD2-CG2 3.47Å; F71-T217 HydrophobicContact CE2-CG2 3.91Å; F71-T217 HydrophobicContact CG-CG2 3.64Å; F71-T217 HydrophobicContact CZ-CG2 4.45Å; F71-T218 VanDerWaalsContact CE2-OG1 3.31Å; F71-T218 WeakPolarHBondContact CE2-OG1 3.36Å; F71-T218 WeakPolarHBondContact CZ-OG1 3.29Å; F71-V221 HydrophobicContact CD2-CG2 3.91Å |
| 72 | T | 96.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 17.9 Ų | 17.9 | 9% | 0.092 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 176.8 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | L53 L56 C60 L68 T69 A70 L74 L75 I76 | L53-T72 HydrophobicContact CD2-CG2 3.85Å; L53-T72 WeakPolarHBondContact CD2-O 3.49Å; L56-T72 HydrophobicContact CB-CG2 4.24Å; C60-T72 PolarHBondContact SG-OG1 3.33Å; L68-T72 PolarHBondContact O-N 3.36Å; L68-T72 PolarHBondContact O-OG1 3.23Å; L68-T72 VanDerWaalsContact O-OG1 3.07Å; T69-T72 WeakPolarHBondContact O-CA 3.42Å; T69-T72 VanDerWaalsContact O-CB 3.24Å; T69-T72 WeakPolarHBondContact O-CB 3.23Å; T69-T72 PolarHBondContact O-N 3.11Å; A70-T72 VanDerWaalsContact C-N 3.27Å; A70-T72 PolarHBondContact O-N 2.59Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 2.68Å; T72-L75 PolarHBondContact O-N 2.87Å; T72-L75 VanDerWaalsContact O-N 3.16Å; T72-I76 WeakPolarHBondContact O-CG1 3.49Å; T72-I76 PolarHBondContact O-N 3.4Å |
| 73 | H | 95.9 | Very high | 95.9 | Very high | 34 Ų | 34 | 17.6 Ų | 17.6 | 16% | 0.157 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.6 | -36 | 173.7 | -64.7 | 137.6 | 0 | 0 | 0 | 113.1 | T69 A70 F71 I76 F77 L123 E127 | T69-H73 PolarHBondContact O-N 2.91Å; T69-H73 PolarHBondContact O-ND1 3.1Å; A70-H73 PolarHBondContact O-N 2.91Å; F71-H73 VanDerWaalsContact C-N 3.31Å; F71-H73 PolarHBondContact O-N 3.01Å; H73-I76 WeakPolarHBondContact O-CB 3.5Å; H73-I76 PolarHBondContact O-N 2.94Å; H73-F77 PolarHBondContact O-N 3.2Å; H73-L123 HydrophobicContact CB-CB 4.28Å; H73-L123 HydrophobicContact CB-CD1 4.27Å; H73-E127 IonicContact ND1-OE2 3.99Å; H73-E127 PolarHBondContact ND1-OE2 2.95Å |
| 74 | L | 96.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 172.3 | 176.7 | 59.3 | 0 | 0 | 0 | 112 | A70 F71 T72 I76 F77 D78 I213 T217 | A70-L74 PolarHBondContact O-N 2.93Å; A70-L74 VanDerWaalsContact O-N 3.09Å; F71-L74 HydrophobicContact CD1-CD2 4.49Å; F71-L74 HydrophobicContact CE1-CD2 4.35Å; F71-L74 WeakPolarHBondContact O-CA 3.4Å; F71-L74 WeakPolarHBondContact O-CB 3.44Å; F71-L74 PolarHBondContact O-N 2.87Å; F71-L74 VanDerWaalsContact O-N 3.08Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 2.68Å; L74-I76 VanDerWaalsContact C-N 3.31Å; L74-I76 PolarHBondContact O-N 2.75Å; L74-F77 HydrophobicContact CD1-CD1 4.35Å; L74-F77 WeakPolarHBondContact O-CA 3.3Å; L74-F77 WeakPolarHBondContact O-CB 3.38Å; L74-F77 PolarHBondContact O-N 2.99Å; L74-F77 VanDerWaalsContact O-N 3.14Å; L74-D78 PolarHBondContact O-N 3.49Å; L74-I213 HydrophobicContact CD1-CG2 3.23Å; L74-I213 HydrophobicContact CD2-CG2 3.59Å; L74-I213 HydrophobicContact CG-CG2 4.05Å; L74-T217 HydrophobicContact CD2-CG2 4.29Å |
| 75 | L | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.6 | -27.6 | 175.4 | -82.2 | 168.7 | 0 | 0 | 0 | 113.2 | I49 L53 L56 F71 T72 F77 D78 L79 A153 V156 H157 | I49-L75 HydrophobicContact CG2-CD2 4.48Å; L53-L75 HydrophobicContact CD2-CB 3.51Å; L53-L75 HydrophobicContact CG-CB 4.19Å; L56-L75 HydrophobicContact CD1-CD1 3.19Å; F71-L75 HydrophobicContact CD1-CD1 4.46Å; F71-L75 HydrophobicContact CD1-CG 4.49Å; F71-L75 PolarHBondContact O-N 3.18Å; T72-L75 PolarHBondContact O-N 2.87Å; T72-L75 VanDerWaalsContact O-N 3.16Å; L75-F77 VanDerWaalsContact C-N 3.34Å; L75-D78 HydrophobicContact CD2-CB 4.45Å; L75-D78 WeakPolarHBondContact CD2-OD2 3.35Å; L75-D78 WeakPolarHBondContact O-CB 3.42Å; L75-D78 PolarHBondContact O-N 3.27Å; L75-L79 PolarHBondContact O-N 3.01Å; L75-A153 HydrophobicContact CD1-CB 3.73Å; L75-V156 HydrophobicContact CD2-CB 4.16Å; L75-V156 HydrophobicContact CD2-CG1 3.72Å; L75-H157 HydrophobicContact CD2-CB 4.41Å |
| 76 | I | 97.2 | Very high | 96.1 | Very high | 57 Ų | 57 | 15.5 Ų | 15.5 | 29% | 0.292 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 168.9 | -68.4 | 169.3 | 0 | 0 | 0 | 109.5 | L53 T72 H73 L74 D78 L79 L80 L123 | L53-I76 HydrophobicContact CD1-CG1 4.12Å; L53-I76 HydrophobicContact CD2-CG1 3.78Å; T72-I76 WeakPolarHBondContact O-CG1 3.49Å; T72-I76 PolarHBondContact O-N 3.4Å; H73-I76 WeakPolarHBondContact O-CB 3.5Å; H73-I76 PolarHBondContact O-N 2.94Å; L74-I76 VanDerWaalsContact C-N 3.31Å; L74-I76 PolarHBondContact O-N 2.75Å; I76-D78 VanDerWaalsContact C-N 3.32Å; I76-D78 PolarHBondContact O-N 3.21Å; I76-L79 WeakPolarHBondContact O-CB 3.32Å; I76-L79 PolarHBondContact O-N 2.96Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 3.27Å; I76-L123 HydrophobicContact CB-CD1 4.22Å; I76-L123 HydrophobicContact CG2-CD1 3.86Å |
| 77 | F | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 173.1 | 173 | -101.7 | 0 | 0 | 0 | 112.3 | H73 L74 L75 L79 L80 S81 A120 F169 I210 M261 | H73-F77 PolarHBondContact O-N 3.2Å; L74-F77 HydrophobicContact CD1-CD1 4.35Å; L74-F77 WeakPolarHBondContact O-CA 3.3Å; L74-F77 WeakPolarHBondContact O-CB 3.38Å; L74-F77 PolarHBondContact O-N 2.99Å; L74-F77 VanDerWaalsContact O-N 3.14Å; L75-F77 VanDerWaalsContact C-N 3.34Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.2Å; F77-L80 WeakPolarHBondContact O-CB 3.26Å; F77-L80 PolarHBondContact O-N 3.43Å; F77-S81 PolarHBondContact O-N 3.31Å; F77-A120 HydrophobicContact CB-CB 4.35Å; F77-A120 HydrophobicContact CD2-CB 3.66Å; F77-A120 HydrophobicContact CE2-CB 4.32Å; F77-A120 HydrophobicContact CG-CB 4.24Å; F77-F169 HydrophobicContact CE2-CE1 4.22Å; F77-F169 AromaticContact CE2-CZ 3.84Å; F77-F169 HydrophobicContact CE2-CZ 3.84Å; F77-F169 AromaticContact CZ-CE1 3.85Å; F77-F169 HydrophobicContact CZ-CE1 3.85Å; F77-F169 AromaticContact CZ-CZ 3.77Å; F77-F169 HydrophobicContact CZ-CZ 3.77Å; F77-I210 HydrophobicContact CE1-CD1 4.05Å; F77-I210 HydrophobicContact CE1-CG1 4.31Å; F77-I210 HydrophobicContact CE1-CG2 3.9Å; F77-I210 HydrophobicContact CZ-CD1 4.24Å; F77-M261 HydrophobicContact CD1-CE 4.03Å; F77-M261 HydrophobicContact CD2-CE 4.46Å; F77-M261 HydrophobicContact CD2-SD 4.17Å; F77-M261 HydrophobicContact CE1-CE 3.49Å; F77-M261 VanDerWaalsContact CE1-CE 3.49Å; F77-M261 HydrophobicContact CE1-SD 4.19Å; F77-M261 HydrophobicContact CE2-CE 3.97Å; F77-M261 HydrophobicContact CE2-SD 3.52Å; F77-M261 VanDerWaalsContact CE2-SD 3.52Å; F77-M261 HydrophobicContact CG-CE 4.47Å; F77-M261 HydrophobicContact CZ-CE 3.45Å; F77-M261 VanDerWaalsContact CZ-CE 3.45Å; F77-M261 HydrophobicContact CZ-SD 3.53Å; F77-M261 VanDerWaalsContact CZ-SD 3.53Å |
| 78 | D | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 174.1 | -70.3 | -27.6 | 0 | 0 | 0 | 112.2 | I49 L74 L75 I76 S81 V82 H157 | I49-D78 HydrophobicContact CD1-CB 4.36Å; L74-D78 PolarHBondContact O-N 3.49Å; L75-D78 HydrophobicContact CD2-CB 4.45Å; L75-D78 WeakPolarHBondContact CD2-OD2 3.35Å; L75-D78 WeakPolarHBondContact O-CB 3.42Å; L75-D78 PolarHBondContact O-N 3.27Å; I76-D78 VanDerWaalsContact C-N 3.32Å; I76-D78 PolarHBondContact O-N 3.21Å; D78-S81 WeakPolarHBondContact O-CB 3.4Å; D78-S81 PolarHBondContact O-N 3.49Å; D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 3.31Å; D78-H157 VanDerWaalsContact CG-ND1 3.35Å; D78-H157 IonicContact OD1-CE1 3.26Å; D78-H157 IonicContact OD1-ND1 3.49Å; D78-H157 PolarHBondContact OD1-ND1 3.4Å; D78-H157 IonicContact OD2-CE1 2.69Å; D78-H157 IonicContact OD2-CG 3.71Å; D78-H157 IonicContact OD2-ND1 3.19Å; D78-H157 PolarHBondContact OD2-ND1 3.19Å |
| 79 | L | 97.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 19.3 Ų | 19.3 | 19% | 0.188 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 174.1 | -177.7 | 62.3 | 0 | 0 | 0 | 111.3 | A46 I49 L53 L75 I76 F77 S81 V82 I83 | A46-L79 HydrophobicContact CB-CD1 4.07Å; I49-L79 HydrophobicContact CG2-CB 3.86Å; I49-L79 HydrophobicContact CG2-CD1 4.39Å; L53-L79 HydrophobicContact CD1-CB 4.39Å; L53-L79 HydrophobicContact CD1-CD2 4.05Å; L75-L79 PolarHBondContact O-N 3.01Å; I76-L79 WeakPolarHBondContact O-CB 3.32Å; I76-L79 PolarHBondContact O-N 2.96Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.2Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 2.78Å; L79-V82 PolarHBondContact O-N 3.42Å; L79-I83 HydrophobicContact CG-CD1 4.32Å; L79-I83 WeakPolarHBondContact O-CG1 3.29Å; L79-I83 PolarHBondContact O-N 3.03Å |
| 80 | L | 96.9 | Very high | 95.3 | Very high | 36 Ų | 36 | 20.4 Ų | 20.4 | 19% | 0.188 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 175.3 | -65.2 | 173.3 | 0 | 0 | 0 | 111.4 | I76 F77 V82 I83 V84 L119 | I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 3.27Å; F77-L80 WeakPolarHBondContact O-CB 3.26Å; F77-L80 PolarHBondContact O-N 3.43Å; L80-V82 PolarHBondContact O-N 3.21Å; L80-I83 HydrophobicContact CD2-CD1 4.46Å; L80-I83 WeakPolarHBondContact O-CB 3.48Å; L80-I83 PolarHBondContact O-N 3.03Å; L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 3.45Å; L80-L119 HydrophobicContact CD1-CB 3.89Å; L80-L119 HydrophobicContact CD1-CD1 3.88Å; L80-L119 HydrophobicContact CD2-CD1 4.17Å |
| 81 | S | 95.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 5% | 0.049 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 172.9 | 163.5 | 0 | 0 | 0 | 0 | 112.1 | F77 D78 L79 I83 V84 A85 N166 | F77-S81 PolarHBondContact O-N 3.31Å; D78-S81 WeakPolarHBondContact O-CB 3.4Å; D78-S81 PolarHBondContact O-N 3.49Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 2.78Å; S81-I83 VanDerWaalsContact C-N 3.33Å; S81-I83 PolarHBondContact O-N 2.88Å; S81-V84 WeakPolarHBondContact O-CB 3.35Å; S81-V84 PolarHBondContact O-N 2.92Å; S81-A85 PolarHBondContact O-N 3.16Å; S81-N166 PolarHBondContact O-ND2 2.95Å |
| 82 | V | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.6 | -37.3 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | A42 I45 A46 I49 D78 L79 L80 V84 A85 L86 V164 | A42-V82 HydrophobicContact CB-CG1 4.15Å; A42-V82 VanDerWaalsContact O-CG1 3.3Å; A42-V82 WeakPolarHBondContact O-CG1 3.11Å; I45-V82 HydrophobicContact CG2-CG2 4.26Å; A46-V82 HydrophobicContact CB-CG1 3.85Å; I49-V82 HydrophobicContact CD1-CG2 3.72Å; D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 3.31Å; L79-V82 PolarHBondContact O-N 3.42Å; L80-V82 PolarHBondContact O-N 3.21Å; V82-V84 VanDerWaalsContact C-N 3.35Å; V82-A85 WeakPolarHBondContact O-CB 3.26Å; V82-A85 PolarHBondContact O-N 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.37Å; V82-L86 PolarHBondContact O-N 3Å; V82-V164 HydrophobicContact CG1-CG2 4.44Å; V82-V164 HydrophobicContact CG2-CG2 4.05Å |
| 83 | I | 95 | Very high | 93.8 | Very high | 73 Ų | 73 | 31.1 Ų | 31.1 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.7 | -68 | 166 | 0 | 0 | 0 | 110.8 | L79 L80 S81 A85 L86 I87 | L79-I83 HydrophobicContact CG-CD1 4.32Å; L79-I83 WeakPolarHBondContact O-CG1 3.29Å; L79-I83 PolarHBondContact O-N 3.03Å; L80-I83 HydrophobicContact CD2-CD1 4.46Å; L80-I83 WeakPolarHBondContact O-CB 3.48Å; L80-I83 PolarHBondContact O-N 3.03Å; S81-I83 VanDerWaalsContact C-N 3.33Å; S81-I83 PolarHBondContact O-N 2.88Å; I83-A85 VanDerWaalsContact C-N 3.3Å; I83-A85 PolarHBondContact O-N 3.38Å; I83-L86 WeakPolarHBondContact O-CB 3.26Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-I87 HydrophobicContact CG2-CD1 4.04Å; I83-I87 WeakPolarHBondContact O-CG1 3.11Å; I83-I87 PolarHBondContact O-N 3.46Å |
| 84 | V | 95.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | L80 S81 V82 L86 I87 S88 A112 V113 A168 F169 | L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 3.45Å; S81-V84 WeakPolarHBondContact O-CB 3.35Å; S81-V84 PolarHBondContact O-N 2.92Å; V82-V84 VanDerWaalsContact C-N 3.35Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 2.86Å; V84-I87 WeakPolarHBondContact O-CB 3.43Å; V84-I87 PolarHBondContact O-N 3.04Å; V84-S88 PolarHBondContact O-N 3.17Å; V84-S88 PolarHBondContact O-OG 2.68Å; V84-A112 HydrophobicContact CG2-CB 3.82Å; V84-V113 HydrophobicContact CG1-CG2 3.62Å; V84-V113 HydrophobicContact CG2-CG2 4.49Å; V84-A168 HydrophobicContact CG1-CB 3.82Å; V84-F169 HydrophobicContact CB-CD2 4.34Å; V84-F169 HydrophobicContact CB-CE2 4.06Å; V84-F169 HydrophobicContact CG1-CD2 4.08Å; V84-F169 HydrophobicContact CG1-CE2 4.13Å; V84-F169 HydrophobicContact CG2-CE2 3.9Å |
| 85 | A | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S81 V82 I83 I87 S88 F89 V164 N166 | S81-A85 PolarHBondContact O-N 3.16Å; V82-A85 WeakPolarHBondContact O-CB 3.26Å; V82-A85 PolarHBondContact O-N 3.32Å; I83-A85 VanDerWaalsContact C-N 3.3Å; I83-A85 PolarHBondContact O-N 3.38Å; A85-I87 VanDerWaalsContact C-N 3.33Å; A85-S88 PolarHBondContact O-N 3.22Å; A85-F89 HydrophobicContact CB-CE2 4.4Å; A85-F89 VanDerWaalsContact O-CD2 3.26Å; A85-F89 WeakPolarHBondContact O-CD2 3.32Å; A85-F89 VanDerWaalsContact O-CG 3.31Å; A85-F89 WeakPolarHBondContact O-CG 3.4Å; A85-F89 PolarHBondContact O-N 3.33Å; A85-V164 HydrophobicContact CB-CG1 3.4Å; A85-V164 VanDerWaalsContact CB-CG1 3.4Å; A85-N166 HydrophobicContact CB-CB 4.2Å; A85-N166 PolarHBondContact N-ND2 3.19Å |
| 86 | L | 93.7 | Very high | 91.5 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 174.5 | -69.6 | 171.8 | 0 | 0 | 0 | 111.9 | A39 A42 V43 V82 I83 V84 F89 W90 | A39-L86 HydrophobicContact CB-CD2 4.38Å; A42-L86 HydrophobicContact CB-CD2 3.73Å; A42-L86 HydrophobicContact CB-CG 4.2Å; V43-L86 HydrophobicContact CG2-CD1 4.24Å; V43-L86 HydrophobicContact CG2-CD2 3.82Å; V82-L86 WeakPolarHBondContact O-CG 3.37Å; V82-L86 PolarHBondContact O-N 3Å; I83-L86 WeakPolarHBondContact O-CB 3.26Å; I83-L86 PolarHBondContact O-N 2.86Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 2.86Å; L86-F89 HydrophobicContact CD2-CD2 4.45Å; L86-F89 PolarHBondContact O-N 2.85Å; L86-W90 WeakPolarHBondContact O-CB 3.48Å; L86-W90 PolarHBondContact O-N 2.93Å |
| 87 | I | 92.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 44 Ų | 44 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 173.2 | -68.8 | 167.5 | 0 | 0 | 0 | 109.8 | I83 V84 A85 F89 W90 T91 F108 A112 | I83-I87 HydrophobicContact CG2-CD1 4.04Å; I83-I87 WeakPolarHBondContact O-CG1 3.11Å; I83-I87 PolarHBondContact O-N 3.46Å; V84-I87 WeakPolarHBondContact O-CB 3.43Å; V84-I87 PolarHBondContact O-N 3.04Å; A85-I87 VanDerWaalsContact C-N 3.33Å; I87-F89 VanDerWaalsContact C-N 3.32Å; I87-F89 PolarHBondContact O-N 3.18Å; I87-W90 WeakPolarHBondContact O-CA 3.48Å; I87-W90 WeakPolarHBondContact O-CB 2.98Å; I87-W90 PolarHBondContact O-N 2.92Å; I87-T91 HydrophobicContact CG2-CG2 4.09Å; I87-T91 WeakPolarHBondContact O-CG2 3.5Å; I87-T91 PolarHBondContact O-N 3.43Å; I87-T91 PolarHBondContact O-OG1 3.31Å; I87-T91 VanDerWaalsContact O-OG1 3.11Å; I87-F108 HydrophobicContact CG2-CB 4.23Å; I87-A112 HydrophobicContact CD1-CB 3.62Å; I87-A112 HydrophobicContact CG2-CB 4.37Å |
| 88 | S | 92 | Very high | 89.7 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 176 | -68.4 | 0 | 0 | 0 | 0 | 112.8 | V84 A85 W90 T91 N92 E109 | V84-S88 PolarHBondContact O-N 3.17Å; V84-S88 PolarHBondContact O-OG 2.68Å; A85-S88 PolarHBondContact O-N 3.22Å; S88-W90 VanDerWaalsContact C-N 3.31Å; S88-W90 PolarHBondContact O-N 3.18Å; S88-T91 VanDerWaalsContact CA-OG1 3.3Å; S88-T91 WeakPolarHBondContact CA-OG1 3.42Å; S88-T91 PolarHBondContact O-OG1 2.79Å; S88-N92 WeakPolarHBondContact O-CB 3.17Å; S88-N92 VanDerWaalsContact O-CG 3.3Å; S88-N92 PolarHBondContact O-N 2.89Å; S88-N92 PolarHBondContact O-ND2 2.98Å; S88-E109 PolarHBondContact OG-OE2 2.94Å |
| 89 | F | 91.6 | Very high | 88.7 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 175.1 | -61.1 | -34.1 | 0 | 0 | 0 | 112.1 | L32 K38 A39 A42 A85 L86 I87 R93 | L32-F89 HydrophobicContact CD1-CB 4.29Å; L32-F89 HydrophobicContact CD2-CB 4.09Å; K38-F89 HydrophobicContact CB-CE1 4.28Å; K38-F89 HydrophobicContact CB-CE2 4.14Å; K38-F89 HydrophobicContact CB-CZ 3.89Å; K38-F89 HydrophobicContact CD-CE1 4.4Å; A39-F89 HydrophobicContact CB-CD2 4.01Å; A42-F89 HydrophobicContact CB-CE2 4.09Å; A85-F89 HydrophobicContact CB-CE2 4.4Å; A85-F89 VanDerWaalsContact O-CD2 3.26Å; A85-F89 WeakPolarHBondContact O-CD2 3.32Å; A85-F89 VanDerWaalsContact O-CG 3.31Å; A85-F89 WeakPolarHBondContact O-CG 3.4Å; A85-F89 PolarHBondContact O-N 3.33Å; L86-F89 HydrophobicContact CD2-CD2 4.45Å; L86-F89 PolarHBondContact O-N 2.85Å; I87-F89 VanDerWaalsContact C-N 3.32Å; I87-F89 PolarHBondContact O-N 3.18Å; F89-R93 WeakPolarHBondContact O-CG 3.48Å |
| 90 | W | 89.5 | Confident | 88 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -45.9 | 177.7 | 177.3 | 87.1 | 0 | 0 | 0 | 112.6 | E28 L32 L86 I87 S88 N92 R93 K94 Y105 | E28-W90 PolarHBondContact OE2-NE1 3.41Å; L32-W90 HydrophobicContact CD2-CB 4.16Å; L86-W90 WeakPolarHBondContact O-CB 3.48Å; L86-W90 PolarHBondContact O-N 2.93Å; I87-W90 WeakPolarHBondContact O-CA 3.48Å; I87-W90 WeakPolarHBondContact O-CB 2.98Å; I87-W90 PolarHBondContact O-N 2.92Å; S88-W90 VanDerWaalsContact C-N 3.31Å; S88-W90 PolarHBondContact O-N 3.18Å; W90-N92 PolarHBondContact O-N 3.18Å; W90-R93 PolarHBondContact O-N 3.26Å; W90-R93 VanDerWaalsContact O-N 3.14Å; W90-K94 HydrophobicContact CD2-CG 4.34Å; W90-K94 VanDerWaalsContact CE2-CE 3.45Å; W90-K94 HydrophobicContact CH2-CG 4.42Å; W90-K94 HydrophobicContact CZ2-CD 4.4Å; W90-K94 HydrophobicContact CZ2-CG 4.07Å; W90-K94 PolarHBondContact O-N 3.21Å; W90-Y105 AromaticContact CH2-CD1 3.69Å; W90-Y105 HydrophobicContact CH2-CD1 3.69Å; W90-Y105 AromaticContact CH2-CE1 3.99Å; W90-Y105 HydrophobicContact CH2-CE1 3.99Å; W90-Y105 AromaticContact CZ3-CD1 3.91Å; W90-Y105 HydrophobicContact CZ3-CD1 3.91Å; W90-Y105 HydrophobicContact CZ3-CG 4.47Å |
| 91 | T | 88.5 | Confident | 87.4 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 178.9 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | I87 S88 R93 K94 Y105 F108 E109 | I87-T91 HydrophobicContact CG2-CG2 4.09Å; I87-T91 WeakPolarHBondContact O-CG2 3.5Å; I87-T91 PolarHBondContact O-N 3.43Å; I87-T91 PolarHBondContact O-OG1 3.31Å; I87-T91 VanDerWaalsContact O-OG1 3.11Å; S88-T91 VanDerWaalsContact CA-OG1 3.3Å; S88-T91 WeakPolarHBondContact CA-OG1 3.42Å; S88-T91 PolarHBondContact O-OG1 2.79Å; T91-R93 PolarHBondContact O-N 3.37Å; T91-K94 PolarHBondContact O-N 3.43Å; T91-K94 VanDerWaalsContact O-N 3.15Å; T91-Y105 VanDerWaalsContact CG2-O 3.24Å; T91-Y105 WeakPolarHBondContact CG2-O 3.07Å; T91-F108 HydrophobicContact CG2-CB 3.9Å; T91-E109 HydrophobicContact CG2-CG 3.95Å; T91-E109 WeakPolarHBondContact OG1-CG 3.48Å; T91-E109 PolarHBondContact OG1-OE1 2.92Å |
| 92 | N | 85.4 | Confident | 86.9 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.1 | 177.7 | -78.5 | -48.3 | 0 | 0 | 0 | 114.3 | S88 W90 | S88-N92 WeakPolarHBondContact O-CB 3.17Å; S88-N92 VanDerWaalsContact O-CG 3.3Å; S88-N92 PolarHBondContact O-N 2.89Å; S88-N92 PolarHBondContact O-ND2 2.98Å; W90-N92 PolarHBondContact O-N 3.18Å |
| 93 | R | 84.5 | Confident | 86.2 | Confident | 149 Ų | 149 | 71.1 Ų | 71.1 | 56% | 0.562 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -26.9 | 176.5 | -60.6 | -74.4 | 62.6 | -167.6 | -10 | 113.5 | L32 F89 W90 T91 K95 | L32-R93 HydrophobicContact CD1-CG 4.48Å; F89-R93 WeakPolarHBondContact O-CG 3.48Å; W90-R93 PolarHBondContact O-N 3.26Å; W90-R93 VanDerWaalsContact O-N 3.14Å; T91-R93 PolarHBondContact O-N 3.37Å; R93-K95 PolarHBondContact O-N 3.02Å |
| 94 | K | 83.2 | Confident | 85.7 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -80.5 | 114.5 | 179.9 | -61.1 | -67.8 | -176.1 | 177.7 | 0 | 109.1 | E28 W90 T91 Y105 | E28-K94 IonicContact OE1-NZ 3.67Å; E28-K94 IonicContact OE2-NZ 3.92Å; E28-K94 PolarHBondContact OE2-NZ 2.83Å; W90-K94 HydrophobicContact CD2-CG 4.34Å; W90-K94 VanDerWaalsContact CE2-CE 3.45Å; W90-K94 HydrophobicContact CH2-CG 4.42Å; W90-K94 HydrophobicContact CZ2-CD 4.4Å; W90-K94 HydrophobicContact CZ2-CG 4.07Å; W90-K94 PolarHBondContact O-N 3.21Å; T91-K94 PolarHBondContact O-N 3.43Å; T91-K94 VanDerWaalsContact O-N 3.15Å; K94-Y105 HydrophobicContact CB-CD2 3.4Å; K94-Y105 VanDerWaalsContact CB-CD2 3.4Å; K94-Y105 HydrophobicContact CB-CE2 3.67Å; K94-Y105 HydrophobicContact CB-CG 3.91Å; K94-Y105 HydrophobicContact CG-CD2 4.4Å |
| 95 | K | 79 | Confident | 85.4 | Confident | 186 Ų | 186 | 69.8 Ų | 69.8 | 81% | 0.809 | 36% | 0.358 | S | S | * | . | trans | -69 | 152.1 | 170.5 | -67 | -177.3 | 178.7 | -179.5 | 0 | 109.7 | R93 S97 | R93-K95 PolarHBondContact O-N 3.02Å; K95-S97 PolarHBondContact O-N 3.31Å | ||
| 96 | A | 80 | Confident | 84.9 | Confident | 56 Ų | 56 | 72 Ų | 72 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | trans | -56.3 | 138.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 97 | S | 79.8 | Confident | 84.8 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | trans | -129.1 | 132.1 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | K95 E99 S100 Y101 S102 | K95-S97 PolarHBondContact O-N 3.31Å; S97-E99 PolarHBondContact O-N 3.31Å; S97-E99 PolarHBondContact OG-N 3.45Å; S97-S100 PolarHBondContact O-N 2.92Å; S97-Y101 PolarHBondContact N-O 2.99Å; S97-Y101 CarbonylContact O-C 3.05Å; S97-Y101 PolarHBondContact O-N 3.1Å; S97-Y101 VanDerWaalsContact O-O 3.09Å; S97-S102 WeakPolarHBondContact O-CA 3.46Å; S97-S102 PolarHBondContact O-N 2.99Å | ||
| 98 | V | 75.1 | Confident | 84.7 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 84% | 0.836 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -31.2 | 179.7 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 99 | E | 77 | Confident | 84.8 | Confident | 191 Ų | 191 | 76.5 Ų | 76.5 | 89% | 0.893 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.5 | -176.2 | -64.3 | -178.4 | 172.8 | 0 | 0 | 114.1 | S97 | S97-E99 PolarHBondContact O-N 3.31Å; S97-E99 PolarHBondContact OG-N 3.45Å |
| 100 | S | 81.7 | Confident | 84.8 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -121.9 | -77.4 | -177.7 | 61.4 | 0 | 0 | 0 | 0 | 112 | S97 Y105 | S97-S100 PolarHBondContact O-N 2.92Å; S100-Y105 PolarHBondContact OG-OH 3.27Å |
| 101 | Y | 84.7 | Confident | 85.1 | Confident | 112 Ų | 112 | 75.7 Ų | 75.7 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | trans | -121 | 94.9 | -178.5 | -60.9 | -84 | 0 | 0 | 0 | 109.4 | S97 L103 G104 Y105 F108 | S97-Y101 PolarHBondContact N-O 2.99Å; S97-Y101 CarbonylContact O-C 3.05Å; S97-Y101 PolarHBondContact O-N 3.1Å; S97-Y101 VanDerWaalsContact O-O 3.09Å; Y101-L103 VanDerWaalsContact C-N 3.29Å; Y101-L103 PolarHBondContact O-N 3.29Å; Y101-G104 WeakPolarHBondContact CB-O 3.49Å; Y101-G104 PolarHBondContact O-N 3.07Å; Y101-Y105 AromaticContact CD2-CD1 3.83Å; Y101-Y105 HydrophobicContact CD2-CD1 3.83Å; Y101-Y105 AromaticContact CD2-CE1 3.19Å; Y101-Y105 HydrophobicContact CD2-CE1 3.19Å; Y101-Y105 HydrophobicContact CD2-CE2 4.25Å; Y101-Y105 AromaticContact CD2-CZ 3.44Å; Y101-Y105 VanDerWaalsContact CD2-CZ 3.44Å; Y101-Y105 HydrophobicContact CE2-CD1 4.2Å; Y101-Y105 AromaticContact CE2-CE1 3.55Å; Y101-Y105 HydrophobicContact CE2-CE1 3.55Å; Y101-Y105 HydrophobicContact CG-CD1 4.37Å; Y101-Y105 HydrophobicContact CG-CE1 4.1Å; Y101-F108 HydrophobicContact CD1-CE2 4.29Å; Y101-F108 AromaticContact CE1-CE2 3.86Å; Y101-F108 HydrophobicContact CE1-CE2 3.86Å; Y101-F108 HydrophobicContact CE1-CZ 4.11Å; Y101-F108 HydrophobicContact CE2-CE2 4.15Å; Y101-F108 HydrophobicContact CE2-CZ 4.21Å; Y101-F108 AromaticContact CZ-CE2 3.78Å; Y101-F108 AromaticContact CZ-CZ 3.69Å | ||
| 102 | S | 84.1 | Confident | 85.4 | Confident | 85 Ų | 85 | 76 Ų | 76 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32.7 | -174.6 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | S97 | S97-S102 WeakPolarHBondContact O-CA 3.46Å; S97-S102 PolarHBondContact O-N 2.99Å |
| 103 | L | 81.3 | Confident | 85.9 | Confident | 60 Ų | 60 | 72 Ų | 72 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.2 | 175.5 | -63.8 | 176.7 | 0 | 0 | 0 | 113.4 | Y101 T308 Y344 | Y101-L103 VanDerWaalsContact C-N 3.29Å; Y101-L103 PolarHBondContact O-N 3.29Å; L103-T308 HydrophobicContact CD1-CG2 4.15Å; L103-Y344 HydrophobicContact CD2-CD1 4.21Å; L103-Y344 HydrophobicContact CD2-CG 4.13Å |
| 104 | G | 85.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | trans | 85.8 | -172.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y101 | Y101-G104 WeakPolarHBondContact CB-O 3.49Å; Y101-G104 PolarHBondContact O-N 3.07Å | ||
| 105 | Y | 88.5 | Confident | 87.2 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 14% | 0.137 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -102.7 | 7.2 | -168.6 | -66.4 | -100.7 | 0 | 0 | 0 | 113.3 | W90 T91 K94 S100 Y101 R107 F108 | W90-Y105 AromaticContact CH2-CD1 3.69Å; W90-Y105 HydrophobicContact CH2-CD1 3.69Å; W90-Y105 AromaticContact CH2-CE1 3.99Å; W90-Y105 HydrophobicContact CH2-CE1 3.99Å; W90-Y105 AromaticContact CZ3-CD1 3.91Å; W90-Y105 HydrophobicContact CZ3-CD1 3.91Å; W90-Y105 HydrophobicContact CZ3-CG 4.47Å; T91-Y105 VanDerWaalsContact CG2-O 3.24Å; T91-Y105 WeakPolarHBondContact CG2-O 3.07Å; K94-Y105 HydrophobicContact CB-CD2 3.4Å; K94-Y105 VanDerWaalsContact CB-CD2 3.4Å; K94-Y105 HydrophobicContact CB-CE2 3.67Å; K94-Y105 HydrophobicContact CB-CG 3.91Å; K94-Y105 HydrophobicContact CG-CD2 4.4Å; S100-Y105 PolarHBondContact OG-OH 3.27Å; Y101-Y105 AromaticContact CD2-CD1 3.83Å; Y101-Y105 HydrophobicContact CD2-CD1 3.83Å; Y101-Y105 AromaticContact CD2-CE1 3.19Å; Y101-Y105 HydrophobicContact CD2-CE1 3.19Å; Y101-Y105 HydrophobicContact CD2-CE2 4.25Å; Y101-Y105 AromaticContact CD2-CZ 3.44Å; Y101-Y105 VanDerWaalsContact CD2-CZ 3.44Å; Y101-Y105 HydrophobicContact CE2-CD1 4.2Å; Y101-Y105 AromaticContact CE2-CE1 3.55Å; Y101-Y105 HydrophobicContact CE2-CE1 3.55Å; Y101-Y105 HydrophobicContact CG-CD1 4.37Å; Y101-Y105 HydrophobicContact CG-CE1 4.1Å; Y105-R107 PolarHBondContact O-N 3.48Å; Y105-F108 HydrophobicContact CD1-CD2 4.09Å; Y105-F108 AromaticContact CD1-CE2 3.81Å; Y105-F108 HydrophobicContact CD1-CE2 3.81Å; Y105-F108 WeakPolarHBondContact O-CB 3.29Å; Y105-F108 WeakPolarHBondContact O-CD2 3.43Å; Y105-F108 PolarHBondContact O-N 3.46Å |
| 106 | E | 85.7 | Confident | 88 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.2 | -172.9 | -63.5 | 174.1 | -176.6 | 0 | 0 | 113.4 | F108 E109 T308 D312 K343 | E106-F108 PolarHBondContact O-N 2.85Å; E106-E109 WeakPolarHBondContact O-CB 3.47Å; E106-E109 PolarHBondContact O-N 2.99Å; E106-T308 PolarHBondContact OE2-OG1 3.14Å; E106-D312 VanDerWaalsContact OE1-OD2 3.08Å; E106-K343 IonicContact OE1-NZ 2.66Å |
| 107 | R | 90.7 | Very high | 88.8 | Confident | 91 Ų | 91 | 55 Ų | 55 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -26.9 | 176.8 | -73 | -174 | 175 | -164.7 | -2.5 | 113.4 | Y105 E109 V110 V111 W306 T308 | Y105-R107 PolarHBondContact O-N 3.48Å; R107-E109 PolarHBondContact O-N 3.28Å; R107-V110 PolarHBondContact O-N 3.3Å; R107-V111 WeakPolarHBondContact O-CG2 3.47Å; R107-V111 PolarHBondContact O-N 2.95Å; R107-W306 VanDerWaalsContact NH2-CD1 3.29Å; R107-W306 VanDerWaalsContact NH2-NE1 3.14Å; R107-T308 WeakPolarHBondContact CG-O 3.33Å; R107-T308 PolarHBondContact N-O 3.45Å |
| 108 | F | 91.3 | Very high | 89.6 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -32.8 | 178.2 | -79.5 | -96.5 | 0 | 0 | 0 | 111.9 | I87 T91 Y101 Y105 E106 V111 A112 | I87-F108 HydrophobicContact CG2-CB 4.23Å; T91-F108 HydrophobicContact CG2-CB 3.9Å; Y101-F108 HydrophobicContact CD1-CE2 4.29Å; Y101-F108 AromaticContact CE1-CE2 3.86Å; Y101-F108 HydrophobicContact CE1-CE2 3.86Å; Y101-F108 HydrophobicContact CE1-CZ 4.11Å; Y101-F108 HydrophobicContact CE2-CE2 4.15Å; Y101-F108 HydrophobicContact CE2-CZ 4.21Å; Y101-F108 AromaticContact CZ-CE2 3.78Å; Y101-F108 AromaticContact CZ-CZ 3.69Å; Y105-F108 HydrophobicContact CD1-CD2 4.09Å; Y105-F108 AromaticContact CD1-CE2 3.81Å; Y105-F108 HydrophobicContact CD1-CE2 3.81Å; Y105-F108 WeakPolarHBondContact O-CB 3.29Å; Y105-F108 WeakPolarHBondContact O-CD2 3.43Å; Y105-F108 PolarHBondContact O-N 3.46Å; E106-F108 PolarHBondContact O-N 2.85Å; F108-V111 PolarHBondContact O-N 3.27Å; F108-A112 VanDerWaalsContact O-CB 3.32Å; F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 3.46Å |
| 109 | E | 92.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.3 | -57.2 | -171.5 | -156.1 | 0 | 0 | 111.2 | S88 T91 E106 R107 A112 V113 A168 Y310 | S88-E109 PolarHBondContact OG-OE2 2.94Å; T91-E109 HydrophobicContact CG2-CG 3.95Å; T91-E109 WeakPolarHBondContact OG1-CG 3.48Å; T91-E109 PolarHBondContact OG1-OE1 2.92Å; E106-E109 WeakPolarHBondContact O-CB 3.47Å; E106-E109 PolarHBondContact O-N 2.99Å; R107-E109 PolarHBondContact O-N 3.28Å; E109-A112 PolarHBondContact O-N 3.36Å; E109-V113 PolarHBondContact O-N 3.19Å; E109-A168 HydrophobicContact CB-CB 4.34Å; E109-Y310 HydrophobicContact CB-CD2 4.42Å; E109-Y310 HydrophobicContact CB-CE2 3.93Å |
| 110 | V | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 178.9 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | R107 A112 V113 F114 I271 L272 Y310 | R107-V110 PolarHBondContact O-N 3.3Å; V110-A112 VanDerWaalsContact C-N 3.3Å; V110-A112 PolarHBondContact O-N 2.96Å; V110-V113 PolarHBondContact O-N 3.07Å; V110-F114 WeakPolarHBondContact O-CB 3.47Å; V110-F114 PolarHBondContact O-N 3.04Å; V110-I271 HydrophobicContact CB-CG2 4.35Å; V110-I271 HydrophobicContact CG1-CB 3.85Å; V110-I271 HydrophobicContact CG1-CG2 3.65Å; V110-I271 HydrophobicContact CG2-CG2 3.86Å; V110-L272 HydrophobicContact CB-CD2 4.07Å; V110-L272 HydrophobicContact CG1-CD2 3.74Å; V110-L272 HydrophobicContact CG1-CG 3.79Å; V110-Y310 WeakPolarHBondContact CA-OH 3.14Å; V110-Y310 HydrophobicContact CG2-CE1 4.32Å; V110-Y310 HydrophobicContact CG2-CE2 4.06Å |
| 111 | V | 94.9 | Very high | 92.3 | Very high | 73 Ų | 73 | 41 Ų | 41 | 44% | 0.442 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.3 | -41 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | R107 F108 F114 A115 L272 | R107-V111 WeakPolarHBondContact O-CG2 3.47Å; R107-V111 PolarHBondContact O-N 2.95Å; F108-V111 PolarHBondContact O-N 3.27Å; V111-F114 PolarHBondContact O-N 3.24Å; V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.13Å; V111-A115 PolarHBondContact O-N 2.66Å; V111-L272 HydrophobicContact CG2-CD2 3.66Å |
| 112 | A | 95.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V84 I87 F108 E109 V110 S116 | V84-A112 HydrophobicContact CG2-CB 3.82Å; I87-A112 HydrophobicContact CD1-CB 3.62Å; I87-A112 HydrophobicContact CG2-CB 4.37Å; F108-A112 VanDerWaalsContact O-CB 3.32Å; F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 3.46Å; E109-A112 PolarHBondContact O-N 3.36Å; V110-A112 VanDerWaalsContact C-N 3.3Å; V110-A112 PolarHBondContact O-N 2.96Å; A112-S116 WeakPolarHBondContact O-CB 3.3Å; A112-S116 PolarHBondContact O-N 3.29Å; A112-S116 PolarHBondContact O-OG 3.15Å |
| 113 | V | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 173.2 | 175 | 0 | 0 | 0 | 0 | 111.5 | V84 E109 V110 S116 T117 A168 F169 V172 Y310 | V84-V113 HydrophobicContact CG1-CG2 3.62Å; V84-V113 HydrophobicContact CG2-CG2 4.49Å; E109-V113 PolarHBondContact O-N 3.19Å; V110-V113 PolarHBondContact O-N 3.07Å; V113-S116 WeakPolarHBondContact CA-OG 3.45Å; V113-S116 PolarHBondContact O-N 3.27Å; V113-S116 PolarHBondContact O-OG 2.84Å; V113-T117 HydrophobicContact CG1-CG2 4.3Å; V113-T117 WeakPolarHBondContact O-CB 3.39Å; V113-T117 VanDerWaalsContact O-CG2 3.32Å; V113-T117 WeakPolarHBondContact O-CG2 3.29Å; V113-T117 PolarHBondContact O-N 3.38Å; V113-T117 PolarHBondContact O-OG1 2.79Å; V113-A168 HydrophobicContact CG2-CB 3.69Å; V113-F169 HydrophobicContact CG1-CD1 4.23Å; V113-F169 HydrophobicContact CG1-CE1 3.85Å; V113-F169 HydrophobicContact CG1-CZ 4.13Å; V113-F169 HydrophobicContact CG2-CD2 4.32Å; V113-F169 HydrophobicContact CG2-CE2 4.28Å; V113-F169 HydrophobicContact CG2-CZ 4.45Å; V113-V172 HydrophobicContact CG1-CG2 4.01Å; V113-Y310 WeakPolarHBondContact CB-OH 3.11Å; V113-Y310 VanDerWaalsContact CG2-OH 3.23Å; V113-Y310 WeakPolarHBondContact CG2-OH 3.42Å |
| 114 | F | 96.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 177.7 | -176.3 | -110.6 | 0 | 0 | 0 | 111.7 | V110 V111 T117 I118 M265 L272 | V110-F114 WeakPolarHBondContact O-CB 3.47Å; V110-F114 PolarHBondContact O-N 3.04Å; V111-F114 PolarHBondContact O-N 3.24Å; F114-T117 PolarHBondContact O-N 3Å; F114-T117 PolarHBondContact O-OG1 2.98Å; F114-I118 HydrophobicContact CD1-CD1 3.72Å; F114-I118 HydrophobicContact CD2-CD1 4.29Å; F114-I118 HydrophobicContact CE1-CD1 3.27Å; F114-I118 HydrophobicContact CE2-CD1 3.91Å; F114-I118 HydrophobicContact CG-CD1 4.22Å; F114-I118 HydrophobicContact CZ-CD1 3.39Å; F114-I118 HydrophobicContact CZ-CG1 4.43Å; F114-I118 WeakPolarHBondContact O-CG1 3.49Å; F114-I118 PolarHBondContact O-N 3.45Å; F114-M265 HydrophobicContact CD2-CG 4.02Å; F114-M265 HydrophobicContact CE2-CG 3.73Å; F114-L272 HydrophobicContact CB-CD1 3.74Å; F114-L272 HydrophobicContact CD1-CD1 3.62Å; F114-L272 HydrophobicContact CD2-CD1 4.25Å; F114-L272 HydrophobicContact CE1-CD1 4.23Å; F114-L272 HydrophobicContact CG-CD1 3.61Å |
| 115 | A | 97.3 | Very high | 94.7 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V111 I118 L119 | V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.13Å; V111-A115 PolarHBondContact O-N 2.66Å; A115-I118 PolarHBondContact O-N 3.25Å; A115-L119 WeakPolarHBondContact O-CB 3.38Å; A115-L119 VanDerWaalsContact O-CG 3.28Å; A115-L119 WeakPolarHBondContact O-CG 3.37Å; A115-L119 PolarHBondContact O-N 3.22Å |
| 116 | S | 97.1 | Very high | 95 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 113 | A112 V113 L119 A120 F169 | A112-S116 WeakPolarHBondContact O-CB 3.3Å; A112-S116 PolarHBondContact O-N 3.29Å; A112-S116 PolarHBondContact O-OG 3.15Å; V113-S116 WeakPolarHBondContact CA-OG 3.45Å; V113-S116 PolarHBondContact O-N 3.27Å; V113-S116 PolarHBondContact O-OG 2.84Å; S116-L119 PolarHBondContact O-N 3.17Å; S116-A120 PolarHBondContact O-N 3.3Å; S116-F169 WeakPolarHBondContact OG-CZ 3.46Å |
| 117 | T | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.6 | -38.9 | 175.8 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | V113 F114 A120 I121 F169 M261 M264 M265 | V113-T117 HydrophobicContact CG1-CG2 4.3Å; V113-T117 WeakPolarHBondContact O-CB 3.39Å; V113-T117 VanDerWaalsContact O-CG2 3.32Å; V113-T117 WeakPolarHBondContact O-CG2 3.29Å; V113-T117 PolarHBondContact O-N 3.38Å; V113-T117 PolarHBondContact O-OG1 2.79Å; F114-T117 PolarHBondContact O-N 3Å; F114-T117 PolarHBondContact O-OG1 2.98Å; T117-A120 PolarHBondContact O-N 3.37Å; T117-I121 WeakPolarHBondContact O-CG1 3.36Å; T117-I121 PolarHBondContact O-N 3.17Å; T117-F169 HydrophobicContact CG2-CE1 4.03Å; T117-F169 HydrophobicContact CG2-CZ 4.39Å; T117-M261 HydrophobicContact CG2-SD 4.17Å; T117-M264 HydrophobicContact CG2-CB 3.83Å; T117-M265 WeakPolarHBondContact OG1-CA 3.46Å |
| 118 | I | 97.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 171.5 | -74.5 | 173.2 | 0 | 0 | 0 | 111.2 | F114 A115 A120 I121 L122 M265 | F114-I118 HydrophobicContact CD1-CD1 3.72Å; F114-I118 HydrophobicContact CD2-CD1 4.29Å; F114-I118 HydrophobicContact CE1-CD1 3.27Å; F114-I118 HydrophobicContact CE2-CD1 3.91Å; F114-I118 HydrophobicContact CG-CD1 4.22Å; F114-I118 HydrophobicContact CZ-CD1 3.39Å; F114-I118 HydrophobicContact CZ-CG1 4.43Å; F114-I118 WeakPolarHBondContact O-CG1 3.49Å; F114-I118 PolarHBondContact O-N 3.45Å; A115-I118 PolarHBondContact O-N 3.25Å; I118-A120 VanDerWaalsContact C-N 3.29Å; I118-A120 PolarHBondContact O-N 3.36Å; I118-I121 WeakPolarHBondContact O-CB 3.37Å; I118-I121 PolarHBondContact O-N 2.92Å; I118-I121 VanDerWaalsContact O-N 3.14Å; I118-L122 HydrophobicContact CG2-CD1 4.06Å; I118-L122 HydrophobicContact CG2-CG 4.34Å; I118-L122 WeakPolarHBondContact O-CG 3.37Å; I118-L122 PolarHBondContact O-N 2.89Å; I118-M265 HydrophobicContact CD1-SD 4.42Å; I118-M265 HydrophobicContact CG1-CG 3.85Å; I118-M265 HydrophobicContact CG1-SD 3.62Å |
| 119 | L | 97.3 | Very high | 96 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 178.7 | -73.8 | 169.6 | 0 | 0 | 0 | 111.1 | L80 A115 S116 I121 L122 L123 | L80-L119 HydrophobicContact CD1-CB 3.89Å; L80-L119 HydrophobicContact CD1-CD1 3.88Å; L80-L119 HydrophobicContact CD2-CD1 4.17Å; A115-L119 WeakPolarHBondContact O-CB 3.38Å; A115-L119 VanDerWaalsContact O-CG 3.28Å; A115-L119 WeakPolarHBondContact O-CG 3.37Å; A115-L119 PolarHBondContact O-N 3.22Å; S116-L119 PolarHBondContact O-N 3.17Å; L119-I121 PolarHBondContact O-N 3.22Å; L119-L122 PolarHBondContact O-N 3.23Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.45Å |
| 120 | A | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F77 S116 T117 I118 L123 S124 L257 M261 | F77-A120 HydrophobicContact CB-CB 4.35Å; F77-A120 HydrophobicContact CD2-CB 3.66Å; F77-A120 HydrophobicContact CE2-CB 4.32Å; F77-A120 HydrophobicContact CG-CB 4.24Å; S116-A120 PolarHBondContact O-N 3.3Å; T117-A120 PolarHBondContact O-N 3.37Å; I118-A120 VanDerWaalsContact C-N 3.29Å; I118-A120 PolarHBondContact O-N 3.36Å; A120-L123 PolarHBondContact O-N 2.83Å; A120-S124 PolarHBondContact O-N 3.02Å; A120-L257 HydrophobicContact CB-CD1 4.44Å; A120-M261 HydrophobicContact CB-CG 3.77Å; A120-M261 HydrophobicContact CB-SD 4.21Å |
| 121 | I | 96.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 173.7 | -71.6 | 162.1 | 0 | 0 | 0 | 110.6 | T117 I118 L119 L123 S124 F125 F258 M261 M262 M265 | T117-I121 WeakPolarHBondContact O-CG1 3.36Å; T117-I121 PolarHBondContact O-N 3.17Å; I118-I121 WeakPolarHBondContact O-CB 3.37Å; I118-I121 PolarHBondContact O-N 2.92Å; I118-I121 VanDerWaalsContact O-N 3.14Å; L119-I121 PolarHBondContact O-N 3.22Å; I121-L123 PolarHBondContact O-N 3.27Å; I121-S124 PolarHBondContact O-N 2.98Å; I121-S124 PolarHBondContact O-OG 3.47Å; I121-F125 HydrophobicContact CG2-CD2 3.78Å; I121-F125 HydrophobicContact CG2-CE2 3.58Å; I121-F125 VanDerWaalsContact O-CD2 3.29Å; I121-F125 WeakPolarHBondContact O-CD2 3.49Å; I121-F125 PolarHBondContact O-N 3.48Å; I121-F258 HydrophobicContact CG2-CD2 4.08Å; I121-F258 HydrophobicContact CG2-CE2 4.1Å; I121-M261 HydrophobicContact CD1-CB 4.14Å; I121-M261 HydrophobicContact CG1-CB 3.67Å; I121-M262 HydrophobicContact CD1-CE 3.89Å; I121-M262 HydrophobicContact CD1-CG 4.17Å; I121-M262 HydrophobicContact CD1-SD 3.77Å; I121-M262 HydrophobicContact CG1-CE 4.27Å; I121-M262 HydrophobicContact CG2-CE 3.61Å; I121-M265 HydrophobicContact CD1-CB 3.9Å; I121-M265 HydrophobicContact CD1-CE 4.03Å; I121-M265 HydrophobicContact CD1-CG 4.24Å; I121-M265 HydrophobicContact CD1-SD 3.47Å; I121-M265 WeakPolarHBondContact CD1-SD 3.46Å |
| 122 | L | 97.3 | Very high | 96.1 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 177 | -69 | 175 | 0 | 0 | 0 | 111.6 | I118 L119 S124 F125 F126 | I118-L122 HydrophobicContact CG2-CD1 4.06Å; I118-L122 HydrophobicContact CG2-CG 4.34Å; I118-L122 WeakPolarHBondContact O-CG 3.37Å; I118-L122 PolarHBondContact O-N 2.89Å; L119-L122 PolarHBondContact O-N 3.23Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.19Å; L122-F125 PolarHBondContact O-N 3.37Å; L122-F125 VanDerWaalsContact O-N 3.15Å; L122-F126 WeakPolarHBondContact O-CD2 3.45Å; L122-F126 PolarHBondContact O-N 3.14Å |
| 123 | L | 96.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 47 Ų | 47 | 18% | 0.183 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 174.2 | -68.6 | 176.2 | 0 | 0 | 0 | 111.5 | H73 I76 L119 A120 I121 F125 F126 E127 | H73-L123 HydrophobicContact CB-CB 4.28Å; H73-L123 HydrophobicContact CB-CD1 4.27Å; I76-L123 HydrophobicContact CB-CD1 4.22Å; I76-L123 HydrophobicContact CG2-CD1 3.86Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.45Å; A120-L123 PolarHBondContact O-N 2.83Å; I121-L123 PolarHBondContact O-N 3.27Å; L123-F125 VanDerWaalsContact C-N 3.31Å; L123-F125 PolarHBondContact O-N 3.46Å; L123-F126 PolarHBondContact O-N 2.93Å; L123-E127 WeakPolarHBondContact O-CB 3.46Å; L123-E127 PolarHBondContact O-N 3.48Å |
| 124 | S | 95.6 | Very high | 96 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 176.4 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | A120 I121 L122 E127 I128 | A120-S124 PolarHBondContact O-N 3.02Å; I121-S124 PolarHBondContact O-N 2.98Å; I121-S124 PolarHBondContact O-OG 3.47Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.19Å; S124-E127 PolarHBondContact O-N 3.02Å; S124-I128 VanDerWaalsContact O-CG1 3.29Å; S124-I128 WeakPolarHBondContact O-CG1 3.42Å; S124-I128 PolarHBondContact O-N 3.38Å |
| 125 | F | 96.1 | Very high | 95.8 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 47% | 0.469 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.2 | -42.1 | 175.7 | -83.6 | -65.1 | 0 | 0 | 0 | 112.8 | I121 L122 L123 E127 I128 K129 F258 | I121-F125 HydrophobicContact CG2-CD2 3.78Å; I121-F125 HydrophobicContact CG2-CE2 3.58Å; I121-F125 VanDerWaalsContact O-CD2 3.29Å; I121-F125 WeakPolarHBondContact O-CD2 3.49Å; I121-F125 PolarHBondContact O-N 3.48Å; L122-F125 PolarHBondContact O-N 3.37Å; L122-F125 VanDerWaalsContact O-N 3.15Å; L123-F125 VanDerWaalsContact C-N 3.31Å; L123-F125 PolarHBondContact O-N 3.46Å; F125-E127 PolarHBondContact O-N 3.28Å; F125-I128 PolarHBondContact O-N 3.41Å; F125-K129 PolarHBondContact O-N 2.86Å; F125-F258 HydrophobicContact CD2-CE2 4.46Å; F125-F258 HydrophobicContact CE1-CE2 4.2Å; F125-F258 HydrophobicContact CE2-CD2 4.07Å; F125-F258 AromaticContact CE2-CE2 3.54Å; F125-F258 HydrophobicContact CE2-CE2 3.54Å; F125-F258 HydrophobicContact CZ-CD2 4.12Å; F125-F258 AromaticContact CZ-CE2 3.38Å; F125-F258 HydrophobicContact CZ-CE2 3.38Å; F125-F258 HydrophobicContact CZ-CZ 4.17Å |
| 126 | F | 96 | Very high | 95.6 | Very high | 140 Ų | 140 | 54.9 Ų | 54.9 | 61% | 0.614 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.1 | -38.6 | 175.2 | -78.2 | -65.2 | 0 | 0 | 0 | 111.5 | L122 L123 K129 E130 | L122-F126 WeakPolarHBondContact O-CD2 3.45Å; L122-F126 PolarHBondContact O-N 3.14Å; L123-F126 PolarHBondContact O-N 2.93Å; F126-K129 WeakPolarHBondContact O-CB 3.5Å; F126-K129 PolarHBondContact O-N 3.14Å; F126-E130 PolarHBondContact O-N 3.43Å |
| 127 | E | 94.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 177.7 | -167.6 | -174.9 | 131 | 0 | 0 | 112.9 | L66 A70 H73 L123 S124 F125 K129 E130 A131 S254 | L66-E127 HydrophobicContact CD1-CG 4.17Å; A70-E127 WeakPolarHBondContact CA-OE2 3.43Å; A70-E127 HydrophobicContact CB-CG 4.5Å; A70-E127 WeakPolarHBondContact CB-OE1 3.23Å; A70-E127 WeakPolarHBondContact CB-OE2 3.31Å; H73-E127 IonicContact ND1-OE2 3.99Å; H73-E127 PolarHBondContact ND1-OE2 2.95Å; L123-E127 WeakPolarHBondContact O-CB 3.46Å; L123-E127 PolarHBondContact O-N 3.48Å; S124-E127 PolarHBondContact O-N 3.02Å; F125-E127 PolarHBondContact O-N 3.28Å; E127-K129 VanDerWaalsContact C-N 3.28Å; E127-K129 PolarHBondContact O-N 3.42Å; E127-E130 PolarHBondContact O-N 3.4Å; E127-A131 WeakPolarHBondContact O-CB 3.43Å; E127-A131 PolarHBondContact O-N 2.87Å; E127-S254 WeakPolarHBondContact OE1-CB 3.33Å |
| 128 | I | 96.2 | Very high | 95 | Very high | 40 Ų | 40 | 66.7 Ų | 66.7 | 21% | 0.205 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 173.3 | -69.8 | 165.2 | 0 | 0 | 0 | 110.4 | S124 F125 A131 V132 S254 L255 | S124-I128 VanDerWaalsContact O-CG1 3.29Å; S124-I128 WeakPolarHBondContact O-CG1 3.42Å; S124-I128 PolarHBondContact O-N 3.38Å; F125-I128 PolarHBondContact O-N 3.41Å; I128-A131 WeakPolarHBondContact O-CB 3.39Å; I128-A131 PolarHBondContact O-N 3.07Å; I128-V132 WeakPolarHBondContact O-CG2 3.24Å; I128-V132 PolarHBondContact O-N 3.31Å; I128-S254 VanDerWaalsContact CG1-OG 3.31Å; I128-S254 WeakPolarHBondContact CG1-OG 3.48Å; I128-L255 HydrophobicContact CD1-CD2 4.15Å |
| 129 | K | 96.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 65.1 Ų | 65.1 | 47% | 0.465 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58 | -52.8 | 175.8 | 175.3 | -167.1 | 172.7 | -76.2 | 0 | 111 | F125 F126 E127 A131 V132 E133 | F125-K129 PolarHBondContact O-N 2.86Å; F126-K129 WeakPolarHBondContact O-CB 3.5Å; F126-K129 PolarHBondContact O-N 3.14Å; E127-K129 VanDerWaalsContact C-N 3.28Å; E127-K129 PolarHBondContact O-N 3.42Å; K129-A131 VanDerWaalsContact C-N 3.25Å; K129-A131 PolarHBondContact O-N 3.1Å; K129-V132 PolarHBondContact O-N 2.99Å; K129-V132 VanDerWaalsContact O-N 3.14Å; K129-E133 WeakPolarHBondContact CE-OE1 3.14Å; K129-E133 IonicContact NZ-OE1 2.92Å; K129-E133 PolarHBondContact NZ-OE1 2.96Å; K129-E133 IonicContact NZ-OE2 2.67Å; K129-E133 PolarHBondContact NZ-OE2 3.28Å; K129-E133 PolarHBondContact O-N 2.78Å |
| 130 | E | 95.2 | Very high | 94 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 34% | 0.341 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 178.1 | 179.9 | 69.2 | -159 | 0 | 0 | 111.2 | L66 F126 E127 V132 E133 R134 | L66-E130 HydrophobicContact CD1-CB 4.02Å; L66-E130 HydrophobicContact CD1-CG 3.48Å; L66-E130 VanDerWaalsContact CD1-CG 3.48Å; F126-E130 PolarHBondContact O-N 3.43Å; E127-E130 PolarHBondContact O-N 3.4Å; E130-V132 PolarHBondContact O-N 2.95Å; E130-E133 PolarHBondContact O-N 3.44Å; E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.99Å; E130-R134 IonicContact OE1-CZ 3.39Å; E130-R134 IonicContact OE1-NE 3.61Å; E130-R134 PolarHBondContact OE1-NE 2.89Å; E130-R134 IonicContact OE1-NH2 3.8Å; E130-R134 PolarHBondContact OE1-NH2 3.41Å |
| 131 | A | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L66 E127 I128 K129 R134 I135 T247 M251 | L66-A131 VanDerWaalsContact CD2-CA 3.47Å; L66-A131 HydrophobicContact CD2-CB 3.49Å; L66-A131 VanDerWaalsContact CD2-CB 3.49Å; E127-A131 WeakPolarHBondContact O-CB 3.43Å; E127-A131 PolarHBondContact O-N 2.87Å; I128-A131 WeakPolarHBondContact O-CB 3.39Å; I128-A131 PolarHBondContact O-N 3.07Å; K129-A131 VanDerWaalsContact C-N 3.25Å; K129-A131 PolarHBondContact O-N 3.1Å; A131-R134 PolarHBondContact O-N 3.42Å; A131-I135 WeakPolarHBondContact O-CG1 3.35Å; A131-I135 PolarHBondContact O-N 3.34Å; A131-T247 HydrophobicContact CB-CG2 4.08Å; A131-T247 WeakPolarHBondContact O-CG2 3.44Å; A131-M251 HydrophobicContact CB-CG 3.4Å; A131-M251 VanDerWaalsContact CB-CG 3.4Å; A131-M251 HydrophobicContact CB-SD 4.29Å |
| 132 | V | 95 | Very high | 93.3 | Very high | 64 Ų | 64 | 69.9 Ų | 69.9 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I128 K129 E130 R134 I135 F136 | I128-V132 WeakPolarHBondContact O-CG2 3.24Å; I128-V132 PolarHBondContact O-N 3.31Å; K129-V132 PolarHBondContact O-N 2.99Å; K129-V132 VanDerWaalsContact O-N 3.14Å; E130-V132 PolarHBondContact O-N 2.95Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.27Å; V132-I135 WeakPolarHBondContact O-CB 3.03Å; V132-I135 PolarHBondContact O-N 3.48Å; V132-F136 HydrophobicContact CG1-CD2 4.48Å; V132-F136 HydrophobicContact CG1-CE2 4.01Å; V132-F136 VanDerWaalsContact O-CD2 3.25Å; V132-F136 WeakPolarHBondContact O-CD2 3.34Å |
| 133 | E | 95.1 | Very high | 92.8 | Very high | 85 Ų | 85 | 66.8 Ų | 66.8 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -43 | 175.8 | -72.8 | 171.2 | 158.7 | 0 | 0 | 111.1 | K129 E130 I135 F136 E137 | K129-E133 WeakPolarHBondContact CE-OE1 3.14Å; K129-E133 IonicContact NZ-OE1 2.92Å; K129-E133 PolarHBondContact NZ-OE1 2.96Å; K129-E133 IonicContact NZ-OE2 2.67Å; K129-E133 PolarHBondContact NZ-OE2 3.28Å; K129-E133 PolarHBondContact O-N 2.78Å; E130-E133 PolarHBondContact O-N 3.44Å; E133-I135 VanDerWaalsContact C-N 3.26Å; E133-I135 PolarHBondContact O-N 3.11Å; E133-F136 PolarHBondContact O-N 2.84Å; E133-E137 PolarHBondContact O-N 3.42Å |
| 134 | R | 93.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 71.4 Ų | 71.4 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.7 | -14.9 | 177.5 | -71.2 | 178.3 | -178.1 | -137 | -6.7 | 115.4 | N64 E130 A131 V132 D246 T247 | N64-R134 PolarHBondContact O-NH1 2.92Å; N64-R134 PolarHBondContact OD1-NH2 2.95Å; E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.99Å; E130-R134 IonicContact OE1-CZ 3.39Å; E130-R134 IonicContact OE1-NE 3.61Å; E130-R134 PolarHBondContact OE1-NE 2.89Å; E130-R134 IonicContact OE1-NH2 3.8Å; E130-R134 PolarHBondContact OE1-NH2 3.41Å; A131-R134 PolarHBondContact O-N 3.42Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.27Å; R134-D246 IonicContact NH1-OD2 3.82Å; R134-T247 HydrophobicContact CB-CG2 4.14Å |
| 135 | I | 92 | Very high | 92 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 43% | 0.431 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.4 | -37.3 | 170 | -67.4 | 170.5 | 0 | 0 | 0 | 110.2 | A131 V132 E133 T247 M251 | A131-I135 WeakPolarHBondContact O-CG1 3.35Å; A131-I135 PolarHBondContact O-N 3.34Å; V132-I135 WeakPolarHBondContact O-CB 3.03Å; V132-I135 PolarHBondContact O-N 3.48Å; E133-I135 VanDerWaalsContact C-N 3.26Å; E133-I135 PolarHBondContact O-N 3.11Å; I135-T247 HydrophobicContact CG1-CG2 3.89Å; I135-M251 HydrophobicContact CD1-SD 4.23Å |
| 136 | F | 93 | Very high | 91.8 | Very high | 165 Ų | 165 | 69.3 Ų | 69.3 | 72% | 0.724 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -87.7 | -35.2 | -179.3 | -63.6 | -73.4 | 0 | 0 | 0 | 112.7 | V132 E133 P138 | V132-F136 HydrophobicContact CG1-CD2 4.48Å; V132-F136 HydrophobicContact CG1-CE2 4.01Å; V132-F136 VanDerWaalsContact O-CD2 3.25Å; V132-F136 WeakPolarHBondContact O-CD2 3.34Å; E133-F136 PolarHBondContact O-N 2.84Å; F136-P138 WeakPolarHBondContact O-CD 3.28Å |
| 137 | E | 91.3 | Very high | 91.7 | Very high | 162 Ų | 162 | 65.1 Ų | 65.1 | 76% | 0.757 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -123.3 | 84.8 | 178.7 | -66.5 | -176.4 | -176.6 | 0 | 0 | 109.8 | E133 A139 | E133-E137 PolarHBondContact O-N 3.42Å; E137-A139 PolarHBondContact O-N 3.09Å |
| 138 | P | 88.2 | Confident | 91.7 | Very high | 89 Ų | 89 | 69 Ų | 69 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -60 | 127.6 | -176.9 | -24.1 | 34.7 | 0 | 0 | 0 | 112.2 | F136 P243 | F136-P138 WeakPolarHBondContact O-CD 3.28Å; P138-P243 HydrophobicContact CB-CG 3.51Å |
| 139 | A | 87.1 | Confident | 91.7 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 149 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | E137 P243 | E137-A139 PolarHBondContact O-N 3.09Å; A139-P243 WeakPolarHBondContact O-CB 3.31Å; A139-P243 WeakPolarHBondContact O-CG 3.29Å |
| 140 | E | 87.2 | Confident | 91.7 | Very high | 128 Ų | 128 | 62.1 Ų | 62.1 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 129.5 | 170 | -65.9 | -179.3 | -178.9 | 0 | 0 | 110.2 | N64 F240 | N64-E140 PolarHBondContact ND2-O 3.46Å; E140-F240 HydrophobicContact CB-CD1 4.46Å; E140-F240 HydrophobicContact CG-CD1 4.43Å |
| 141 | I | 88.6 | Confident | 91.8 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | trans | -122.9 | 129.8 | -172.1 | -55.6 | 176.4 | 0 | 0 | 0 | 110.7 | S63 M146 L228 P243 D246 | S63-I141 WeakPolarHBondContact O-CA 3.5Å; I141-M146 HydrophobicContact CG2-SD 4.42Å; I141-L228 HydrophobicContact CG2-CD1 4.5Å; I141-P243 HydrophobicContact CD1-CB 3.41Å; I141-P243 VanDerWaalsContact CD1-CB 3.41Å; I141-P243 HydrophobicContact CG1-CB 4.01Å; I141-D246 HydrophobicContact CD1-CB 3.34Å; I141-D246 WeakPolarHBondContact CD1-OD2 3.37Å | ||
| 142 | S | 88.3 | Confident | 91.9 | Very high | 56 Ų | 56 | 66.8 Ų | 66.8 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | trans | -96.7 | 100.6 | 176 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | S63 N144 H145 | S63-S142 PolarHBondContact O-N 2.83Å; S142-N144 VanDerWaalsContact C-N 3.27Å; S142-N144 PolarHBondContact O-N 2.95Å; S142-H145 PolarHBondContact O-N 3.2Å | ||
| 143 | S | 86.6 | Confident | 92 | Very high | 16 Ų | 16 | 63.7 Ų | 63.7 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -65.3 | -24 | -176.5 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | H145 M146 Y225 | S143-H145 PolarHBondContact O-N 2.95Å; S143-H145 VanDerWaalsContact O-N 3.12Å; S143-M146 PolarHBondContact O-N 3.47Å; S143-Y225 WeakPolarHBondContact O-CE2 3.3Å |
| 144 | N | 86.5 | Confident | 92.1 | Very high | 132 Ų | 132 | 62.1 Ų | 62.1 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -59.4 | -24.9 | -179.6 | -68.2 | -25.3 | 0 | 0 | 0 | 113.5 | S142 | S142-N144 VanDerWaalsContact C-N 3.27Å; S142-N144 PolarHBondContact O-N 2.95Å |
| 145 | H | 89.4 | Confident | 92.3 | Very high | 62 Ų | 62 | 63 Ų | 63 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -101.2 | 14.8 | -174.2 | -69.3 | -89.6 | 0 | 0 | 0 | 113.1 | E59 S142 S143 P149 | E59-H145 WeakPolarHBondContact OE2-CB 3.46Å; E59-H145 IonicContact OE2-CE1 2.84Å; E59-H145 IonicContact OE2-CG 2.76Å; E59-H145 IonicContact OE2-ND1 3.52Å; E59-H145 PolarHBondContact OE2-ND1 2.87Å; S142-H145 PolarHBondContact O-N 3.2Å; S143-H145 PolarHBondContact O-N 2.95Å; S143-H145 VanDerWaalsContact O-N 3.12Å; H145-P149 VanDerWaalsContact O-CD 3.31Å; H145-P149 WeakPolarHBondContact O-CD 3.49Å; H145-P149 WeakPolarHBondContact O-CG 3.49Å |
| 146 | M | 92.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -46.9 | -176.2 | -63.3 | -178.5 | 69.4 | 0 | 0 | 113.7 | S65 I141 S143 C150 V221 V224 Y225 L228 | S65-M146 WeakPolarHBondContact OG-CE 3.36Å; I141-M146 HydrophobicContact CG2-SD 4.42Å; S143-M146 PolarHBondContact O-N 3.47Å; M146-C150 WeakPolarHBondContact O-CB 3.32Å; M146-C150 PolarHBondContact O-N 3.01Å; M146-V221 HydrophobicContact CE-CG1 4.49Å; M146-V224 HydrophobicContact CE-CB 4.49Å; M146-V224 HydrophobicContact CE-CG1 3.75Å; M146-Y225 HydrophobicContact CB-CD2 4.13Å; M146-L228 HydrophobicContact CE-CD1 4.2Å; M146-L228 HydrophobicContact SD-CD1 3.57Å; M146-L228 VanDerWaalsContact SD-CD1 3.57Å |
| 147 | L | 93.7 | Very high | 92.7 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70 | -49.8 | -170.2 | -176.5 | 67.3 | 0 | 0 | 0 | 112.7 | C150 L151 Y225 | L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 2.96Å; L147-L151 HydrophobicContact CD1-CD1 4.44Å; L147-L151 HydrophobicContact CD1-CG 4.43Å; L147-L151 HydrophobicContact CG-CD1 4.3Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 2.85Å; L147-L151 VanDerWaalsContact O-N 3.08Å; L147-Y225 HydrophobicContact CB-CD1 4.19Å; L147-Y225 HydrophobicContact CB-CD2 4.08Å; L147-Y225 HydrophobicContact CB-CE1 3.96Å; L147-Y225 HydrophobicContact CB-CE2 3.81Å; L147-Y225 HydrophobicContact CB-CG 4.23Å; L147-Y225 HydrophobicContact CD1-CD1 4.19Å; L147-Y225 HydrophobicContact CD1-CE1 4.3Å; L147-Y225 HydrophobicContact CD2-CD1 4.4Å; L147-Y225 HydrophobicContact CD2-CE1 3.68Å; L147-Y225 HydrophobicContact CG-CD1 4.49Å; L147-Y225 HydrophobicContact CG-CE1 4.19Å |
| 148 | T | 94.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | -177 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | C150 L151 I152 | T148-C150 VanDerWaalsContact C-N 3.33Å; T148-C150 PolarHBondContact O-N 3.45Å; T148-L151 PolarHBondContact O-N 3.04Å; T148-I152 HydrophobicContact CG2-CD1 4.13Å; T148-I152 WeakPolarHBondContact O-CG1 3.5Å; T148-I152 PolarHBondContact O-N 3.41Å |
| 149 | P | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | 178.2 | -22 | 37.3 | 0 | 0 | 0 | 112.9 | Y55 L56 E59 L68 H145 I152 A153 | Y55-P149 HydrophobicContact CE1-CB 3.88Å; Y55-P149 HydrophobicContact CE1-CG 4.21Å; L56-P149 HydrophobicContact CD2-CB 3.6Å; E59-P149 HydrophobicContact CB-CB 4.14Å; E59-P149 HydrophobicContact CB-CG 3.8Å; E59-P149 HydrophobicContact CG-CB 4.12Å; E59-P149 HydrophobicContact CG-CG 3.56Å; L68-P149 HydrophobicContact CD1-CB 4.19Å; L68-P149 HydrophobicContact CD2-CB 4.21Å; H145-P149 VanDerWaalsContact O-CD 3.31Å; H145-P149 WeakPolarHBondContact O-CD 3.49Å; H145-P149 WeakPolarHBondContact O-CG 3.49Å; P149-I152 PolarHBondContact O-N 3.48Å; P149-A153 VanDerWaalsContact O-CB 3.24Å; P149-A153 WeakPolarHBondContact O-CB 3.48Å; P149-A153 PolarHBondContact O-N 3.46Å |
| 150 | C | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 112.8 | M146 L147 T148 I152 A153 F154 V221 | M146-C150 WeakPolarHBondContact O-CB 3.32Å; M146-C150 PolarHBondContact O-N 3.01Å; L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 2.96Å; T148-C150 VanDerWaalsContact C-N 3.33Å; T148-C150 PolarHBondContact O-N 3.45Å; C150-I152 VanDerWaalsContact C-N 3.35Å; C150-I152 PolarHBondContact O-N 3Å; C150-A153 PolarHBondContact O-N 3.04Å; C150-F154 WeakPolarHBondContact O-CB 3.43Å; C150-F154 PolarHBondContact O-N 2.84Å; C150-V221 HydrophobicContact CB-CB 4.36Å; C150-V221 HydrophobicContact CB-CG1 3.72Å; C150-V221 VanDerWaalsContact SG-CB 3.59Å |
| 151 | L | 96.5 | Very high | 93.9 | Very high | 98 Ų | 98 | 40.1 Ų | 40.1 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.5 | -38.5 | -179.7 | -66.6 | 177.4 | 0 | 0 | 0 | 112.3 | L147 T148 G155 | L147-L151 HydrophobicContact CD1-CD1 4.44Å; L147-L151 HydrophobicContact CD1-CG 4.43Å; L147-L151 HydrophobicContact CG-CD1 4.3Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 2.85Å; L147-L151 VanDerWaalsContact O-N 3.08Å; T148-L151 PolarHBondContact O-N 3.04Å; L151-G155 PolarHBondContact O-N 3.45Å; L151-G155 VanDerWaalsContact O-N 3.12Å |
| 152 | I | 97.3 | Very high | 94 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 174.4 | -64.7 | 168.7 | 0 | 0 | 0 | 109.8 | Y55 T148 P149 C150 F154 G155 V156 | Y55-I152 HydrophobicContact CE1-CD1 3.84Å; T148-I152 HydrophobicContact CG2-CD1 4.13Å; T148-I152 WeakPolarHBondContact O-CG1 3.5Å; T148-I152 PolarHBondContact O-N 3.41Å; P149-I152 PolarHBondContact O-N 3.48Å; C150-I152 VanDerWaalsContact C-N 3.35Å; C150-I152 PolarHBondContact O-N 3Å; I152-F154 VanDerWaalsContact C-N 3.32Å; I152-F154 PolarHBondContact O-N 2.81Å; I152-G155 PolarHBondContact O-N 3Å; I152-V156 WeakPolarHBondContact O-CG2 3.4Å; I152-V156 PolarHBondContact O-N 3.08Å |
| 153 | A | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L56 F71 L75 P149 C150 G155 V156 H157 | L56-A153 HydrophobicContact CD1-CB 3.91Å; L56-A153 HydrophobicContact CD2-CB 4.36Å; F71-A153 HydrophobicContact CD1-CB 3.63Å; F71-A153 HydrophobicContact CD2-CB 4.36Å; F71-A153 HydrophobicContact CE1-CB 3.53Å; F71-A153 HydrophobicContact CE2-CB 4.27Å; F71-A153 HydrophobicContact CG-CB 4.1Å; F71-A153 HydrophobicContact CZ-CB 3.89Å; L75-A153 HydrophobicContact CD1-CB 3.73Å; P149-A153 VanDerWaalsContact O-CB 3.24Å; P149-A153 WeakPolarHBondContact O-CB 3.48Å; P149-A153 PolarHBondContact O-N 3.46Å; C150-A153 PolarHBondContact O-N 3.04Å; A153-G155 PolarHBondContact O-N 3.42Å; A153-V156 PolarHBondContact O-N 3.44Å; A153-H157 WeakPolarHBondContact O-CB 3.39Å; A153-H157 PolarHBondContact O-N 3.04Å |
| 154 | F | 97.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 45 Ų | 45 | 23% | 0.228 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 175.8 | -178.1 | -122.5 | 0 | 0 | 0 | 112.5 | F71 C150 I152 V156 H157 L158 V215 T218 | F71-F154 HydrophobicContact CZ-CB 3.98Å; C150-F154 WeakPolarHBondContact O-CB 3.43Å; C150-F154 PolarHBondContact O-N 2.84Å; I152-F154 VanDerWaalsContact C-N 3.32Å; I152-F154 PolarHBondContact O-N 2.81Å; F154-V156 VanDerWaalsContact C-N 3.33Å; F154-V156 PolarHBondContact O-N 2.96Å; F154-H157 PolarHBondContact O-N 3.48Å; F154-L158 HydrophobicContact CD1-CD1 4.19Å; F154-L158 HydrophobicContact CD2-CG 4.3Å; F154-L158 HydrophobicContact CE1-CD1 3.64Å; F154-L158 HydrophobicContact CE1-CG 4.34Å; F154-L158 HydrophobicContact CE2-CD1 4.1Å; F154-L158 HydrophobicContact CE2-CD2 3.99Å; F154-L158 HydrophobicContact CE2-CG 3.93Å; F154-L158 HydrophobicContact CZ-CD1 3.6Å; F154-L158 HydrophobicContact CZ-CD2 4.09Å; F154-L158 HydrophobicContact CZ-CG 3.97Å; F154-L158 WeakPolarHBondContact O-CG 3.47Å; F154-L158 PolarHBondContact O-N 3.5Å; F154-V215 HydrophobicContact CE2-CG2 3.99Å; F154-V215 HydrophobicContact CZ-CG2 4.11Å; F154-T218 HydrophobicContact CB-CG2 4.01Å; F154-T218 WeakPolarHBondContact CB-OG1 3.38Å; F154-T218 HydrophobicContact CD1-CG2 4.27Å; F154-T218 HydrophobicContact CD2-CG2 4.26Å; F154-T218 WeakPolarHBondContact CD2-OG1 3.48Å; F154-T218 HydrophobicContact CG-CG2 3.93Å; F154-T218 WeakPolarHBondContact CG-OG1 3.41Å |
| 155 | G | 96.9 | Very high | 94.8 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L151 I152 A153 L159 | L151-G155 PolarHBondContact O-N 3.45Å; L151-G155 VanDerWaalsContact O-N 3.12Å; I152-G155 PolarHBondContact O-N 3Å; A153-G155 PolarHBondContact O-N 3.42Å; G155-L159 WeakPolarHBondContact O-CB 3.49Å; G155-L159 PolarHBondContact O-N 3.35Å |
| 156 | V | 97.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | V48 I49 C52 L75 I152 A153 F154 L159 S160 | V48-V156 HydrophobicContact CG1-CG1 4.46Å; V48-V156 HydrophobicContact CG1-CG2 4.2Å; I49-V156 HydrophobicContact CB-CG1 4.31Å; I49-V156 HydrophobicContact CG1-CG1 3.72Å; C52-V156 HydrophobicContact CB-CB 4.39Å; C52-V156 HydrophobicContact CB-CG1 4.09Å; C52-V156 HydrophobicContact CB-CG2 3.94Å; L75-V156 HydrophobicContact CD2-CB 4.16Å; L75-V156 HydrophobicContact CD2-CG1 3.72Å; I152-V156 WeakPolarHBondContact O-CG2 3.4Å; I152-V156 PolarHBondContact O-N 3.08Å; A153-V156 PolarHBondContact O-N 3.44Å; F154-V156 VanDerWaalsContact C-N 3.33Å; F154-V156 PolarHBondContact O-N 2.96Å; V156-L159 WeakPolarHBondContact O-CB 3.44Å; V156-L159 PolarHBondContact O-N 3.21Å; V156-S160 PolarHBondContact O-N 3.14Å |
| 157 | H | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 174 | 176.6 | 77.1 | 0 | 0 | 0 | 111.2 | F71 L75 D78 A153 F154 L159 S160 I161 I210 G214 | F71-H157 HydrophobicContact CE1-CB 4.44Å; L75-H157 HydrophobicContact CD2-CB 4.41Å; D78-H157 VanDerWaalsContact CG-ND1 3.35Å; D78-H157 IonicContact OD1-CE1 3.26Å; D78-H157 IonicContact OD1-ND1 3.49Å; D78-H157 PolarHBondContact OD1-ND1 3.4Å; D78-H157 IonicContact OD2-CE1 2.69Å; D78-H157 IonicContact OD2-CG 3.71Å; D78-H157 IonicContact OD2-ND1 3.19Å; D78-H157 PolarHBondContact OD2-ND1 3.19Å; A153-H157 WeakPolarHBondContact O-CB 3.39Å; A153-H157 PolarHBondContact O-N 3.04Å; F154-H157 PolarHBondContact O-N 3.48Å; H157-L159 VanDerWaalsContact C-N 3.29Å; H157-L159 PolarHBondContact O-N 2.97Å; H157-S160 WeakPolarHBondContact O-CB 3.49Å; H157-S160 PolarHBondContact O-N 3.03Å; H157-S160 VanDerWaalsContact O-N 3.09Å; H157-I161 WeakPolarHBondContact O-CG1 3.45Å; H157-I161 PolarHBondContact O-N 3.32Å; H157-I161 VanDerWaalsContact O-N 3.1Å; H157-I210 PolarHBondContact CE1-O 3.43Å; H157-I210 PolarHBondContact NE2-O 3.27Å; H157-G214 WeakPolarHBondContact NE2-CA 3.37Å |
| 158 | L | 94.9 | Very high | 94.7 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.2 | -39.9 | 175.9 | -68.2 | -178.7 | 0 | 0 | 0 | 112 | F154 S160 I161 Y162 | F154-L158 HydrophobicContact CD1-CD1 4.19Å; F154-L158 HydrophobicContact CD2-CG 4.3Å; F154-L158 HydrophobicContact CE1-CD1 3.64Å; F154-L158 HydrophobicContact CE1-CG 4.34Å; F154-L158 HydrophobicContact CE2-CD1 4.1Å; F154-L158 HydrophobicContact CE2-CD2 3.99Å; F154-L158 HydrophobicContact CE2-CG 3.93Å; F154-L158 HydrophobicContact CZ-CD1 3.6Å; F154-L158 HydrophobicContact CZ-CD2 4.09Å; F154-L158 HydrophobicContact CZ-CG 3.97Å; F154-L158 WeakPolarHBondContact O-CG 3.47Å; F154-L158 PolarHBondContact O-N 3.5Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.46Å; L158-I161 PolarHBondContact O-N 2.91Å; L158-Y162 HydrophobicContact CD2-CD2 4.44Å; L158-Y162 HydrophobicContact CD2-CE2 4.07Å; L158-Y162 WeakPolarHBondContact O-CD2 3.49Å; L158-Y162 PolarHBondContact O-N 3.11Å |
| 159 | L | 95.7 | Very high | 94.5 | Very high | 76 Ų | 76 | 37.8 Ų | 37.8 | 40% | 0.398 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.1 | 178.4 | 64.7 | 0 | 0 | 0 | 112 | I45 V48 G155 V156 H157 G163 | I45-L159 HydrophobicContact CD1-CD1 4.32Å; I45-L159 HydrophobicContact CD1-CG 4.42Å; I45-L159 HydrophobicContact CG1-CD1 4.44Å; I45-L159 HydrophobicContact CG1-CD2 4.49Å; I45-L159 HydrophobicContact CG1-CG 4.24Å; I45-L159 HydrophobicContact CG2-CG 4.49Å; V48-L159 HydrophobicContact CG1-CD2 4.05Å; G155-L159 WeakPolarHBondContact O-CB 3.49Å; G155-L159 PolarHBondContact O-N 3.35Å; V156-L159 WeakPolarHBondContact O-CB 3.44Å; V156-L159 PolarHBondContact O-N 3.21Å; H157-L159 VanDerWaalsContact C-N 3.29Å; H157-L159 PolarHBondContact O-N 2.97Å; L159-G163 WeakPolarHBondContact O-CA 3.44Å; L159-G163 PolarHBondContact O-N 3.42Å |
| 160 | S | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -51.4 | 176 | -173 | 0 | 0 | 0 | 0 | 111.3 | V156 H157 L158 V164 | V156-S160 PolarHBondContact O-N 3.14Å; H157-S160 WeakPolarHBondContact O-CB 3.49Å; H157-S160 PolarHBondContact O-N 3.03Å; H157-S160 VanDerWaalsContact O-N 3.09Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.46Å; S160-V164 PolarHBondContact O-N 2.8Å |
| 161 | I | 92.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.2 | -42.7 | -174.1 | -57.7 | -50.6 | 0 | 0 | 0 | 112.9 | H157 L158 N208 I210 | H157-I161 WeakPolarHBondContact O-CG1 3.45Å; H157-I161 PolarHBondContact O-N 3.32Å; H157-I161 VanDerWaalsContact O-N 3.1Å; L158-I161 PolarHBondContact O-N 2.91Å; I161-N208 WeakPolarHBondContact CG2-ND2 3.24Å; I161-I210 HydrophobicContact CD1-CB 4.06Å; I161-I210 HydrophobicContact CD1-CG2 3.34Å; I161-I210 HydrophobicContact CG1-CG2 4.11Å |
| 162 | Y | 92.1 | Very high | 93.5 | Very high | 158 Ų | 158 | 37.9 Ų | 37.9 | 62% | 0.62 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -94.9 | -15.4 | -177 | -66.3 | -68.9 | 0 | 0 | 0 | 113.7 | L158 | L158-Y162 HydrophobicContact CD2-CD2 4.44Å; L158-Y162 HydrophobicContact CD2-CE2 4.07Å; L158-Y162 WeakPolarHBondContact O-CD2 3.49Å; L158-Y162 PolarHBondContact O-N 3.11Å |
| 163 | G | 92.6 | Very high | 93 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -88.5 | -20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R41 I45 L159 | R41-G163 WeakPolarHBondContact CD-O 3.35Å; I45-G163 WeakPolarHBondContact CD1-O 3.43Å; L159-G163 WeakPolarHBondContact O-CA 3.44Å; L159-G163 PolarHBondContact O-N 3.42Å |
| 164 | V | 93.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -121.5 | 117.3 | -177.8 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | A42 I45 V82 A85 S160 N166 | A42-V164 HydrophobicContact CB-CG1 3.99Å; A42-V164 HydrophobicContact CB-CG2 4.19Å; I45-V164 HydrophobicContact CB-CG2 4.09Å; I45-V164 HydrophobicContact CD1-CG2 3.55Å; I45-V164 HydrophobicContact CG1-CG2 4.41Å; I45-V164 HydrophobicContact CG2-CG2 4.05Å; V82-V164 HydrophobicContact CG1-CG2 4.44Å; V82-V164 HydrophobicContact CG2-CG2 4.05Å; A85-V164 HydrophobicContact CB-CG1 3.4Å; A85-V164 VanDerWaalsContact CB-CG1 3.4Å; S160-V164 PolarHBondContact O-N 2.8Å; V164-N166 PolarHBondContact O-N 3.29Å; V164-N166 VanDerWaalsContact O-N 3.09Å |
| 165 | D | 90.7 | Very high | 91.6 | Very high | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 23% | 0.231 | S | C | . | . | trans | -69.6 | 103.5 | 172.2 | -65 | -25.4 | 0 | 0 | 0 | 109.7 | K38 | K38-D165 IonicContact NZ-OD2 2.61Å; K38-D165 PolarHBondContact NZ-OD2 2.92Å | ||
| 166 | N | 91 | Very high | 90.7 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | trans | -106 | 94.7 | 177.4 | -164.1 | -42.6 | 0 | 0 | 0 | 111.3 | S81 A85 V164 A168 F169 A170 | S81-N166 PolarHBondContact O-ND2 2.95Å; A85-N166 HydrophobicContact CB-CB 4.2Å; A85-N166 PolarHBondContact N-ND2 3.19Å; V164-N166 PolarHBondContact O-N 3.29Å; V164-N166 VanDerWaalsContact O-N 3.09Å; N166-A168 PolarHBondContact O-N 3.18Å; N166-A168 PolarHBondContact OD1-N 3.45Å; N166-F169 HydrophobicContact CB-CB 4.33Å; N166-F169 WeakPolarHBondContact ND2-CD2 3.4Å; N166-F169 PolarHBondContact OD1-N 3.1Å; N166-A170 VanDerWaalsContact O-CB 3.24Å; N166-A170 WeakPolarHBondContact O-CB 3.23Å; N166-A170 PolarHBondContact O-N 3.5Å | ||
| 167 | M | 89.6 | Confident | 88.9 | Confident | 69 Ų | 69 | 42.7 Ų | 42.7 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -43.5 | -179.7 | -175.2 | 174.8 | 75.6 | 0 | 0 | 111.9 | A170 H171 | M167-A170 PolarHBondContact O-N 3.26Å; M167-H171 PolarHBondContact O-CD2 3.27Å; M167-H171 PolarHBondContact O-N 2.96Å |
| 168 | A | 92.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -52.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V84 E109 V113 N166 A170 H171 V172 Y310 | V84-A168 HydrophobicContact CG1-CB 3.82Å; E109-A168 HydrophobicContact CB-CB 4.34Å; V113-A168 HydrophobicContact CG2-CB 3.69Å; N166-A168 PolarHBondContact O-N 3.18Å; N166-A168 PolarHBondContact OD1-N 3.45Å; A168-A170 VanDerWaalsContact C-N 3.35Å; A168-A170 PolarHBondContact O-N 2.96Å; A168-H171 PolarHBondContact O-N 2.82Å; A168-V172 WeakPolarHBondContact O-CG2 3.49Å; A168-V172 PolarHBondContact O-N 3.26Å; A168-V172 VanDerWaalsContact O-N 3.14Å; A168-Y310 HydrophobicContact CB-CD2 4.09Å; A168-Y310 HydrophobicContact CB-CE2 3.43Å; A168-Y310 VanDerWaalsContact CB-CE2 3.43Å |
| 169 | F | 91.5 | Very high | 85.2 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 175.7 | -88.6 | -69.4 | 0 | 0 | 0 | 112.4 | F77 V84 V113 S116 T117 N166 H171 V172 I173 I210 M264 | F77-F169 HydrophobicContact CE2-CE1 4.22Å; F77-F169 AromaticContact CE2-CZ 3.84Å; F77-F169 HydrophobicContact CE2-CZ 3.84Å; F77-F169 AromaticContact CZ-CE1 3.85Å; F77-F169 HydrophobicContact CZ-CE1 3.85Å; F77-F169 AromaticContact CZ-CZ 3.77Å; F77-F169 HydrophobicContact CZ-CZ 3.77Å; V84-F169 HydrophobicContact CB-CD2 4.34Å; V84-F169 HydrophobicContact CB-CE2 4.06Å; V84-F169 HydrophobicContact CG1-CD2 4.08Å; V84-F169 HydrophobicContact CG1-CE2 4.13Å; V84-F169 HydrophobicContact CG2-CE2 3.9Å; V113-F169 HydrophobicContact CG1-CD1 4.23Å; V113-F169 HydrophobicContact CG1-CE1 3.85Å; V113-F169 HydrophobicContact CG1-CZ 4.13Å; V113-F169 HydrophobicContact CG2-CD2 4.32Å; V113-F169 HydrophobicContact CG2-CE2 4.28Å; V113-F169 HydrophobicContact CG2-CZ 4.45Å; S116-F169 WeakPolarHBondContact OG-CZ 3.46Å; T117-F169 HydrophobicContact CG2-CE1 4.03Å; T117-F169 HydrophobicContact CG2-CZ 4.39Å; N166-F169 HydrophobicContact CB-CB 4.33Å; N166-F169 WeakPolarHBondContact ND2-CD2 3.4Å; N166-F169 PolarHBondContact OD1-N 3.1Å; F169-H171 VanDerWaalsContact C-N 3.33Å; F169-H171 PolarHBondContact O-N 3.49Å; F169-V172 PolarHBondContact O-N 2.8Å; F169-I173 HydrophobicContact CB-CD1 4.4Å; F169-I173 VanDerWaalsContact O-CB 3.29Å; F169-I173 WeakPolarHBondContact O-CB 3.41Å; F169-I173 WeakPolarHBondContact O-CD1 3.15Å; F169-I173 WeakPolarHBondContact O-CG1 3.34Å; F169-I173 PolarHBondContact O-N 3.09Å; F169-I210 HydrophobicContact CD1-CD1 4.14Å; F169-I210 HydrophobicContact CG-CD1 4.42Å; F169-M264 HydrophobicContact CD1-CE 3.77Å; F169-M264 HydrophobicContact CE1-CE 4.24Å |
| 170 | A | 89.7 | Confident | 83.6 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N166 M167 A168 Q174 | N166-A170 VanDerWaalsContact O-CB 3.24Å; N166-A170 WeakPolarHBondContact O-CB 3.23Å; N166-A170 PolarHBondContact O-N 3.5Å; M167-A170 PolarHBondContact O-N 3.26Å; A168-A170 VanDerWaalsContact C-N 3.35Å; A168-A170 PolarHBondContact O-N 2.96Å; A170-Q174 VanDerWaalsContact O-CB 3.31Å; A170-Q174 WeakPolarHBondContact O-CB 3.31Å; A170-Q174 PolarHBondContact O-N 3Å |
| 171 | H | 88.1 | Confident | 82.1 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 174.4 | -79.7 | -70.9 | 0 | 0 | 0 | 112.2 | M167 A168 F169 I173 Q174 A175 Y310 N311 | M167-H171 PolarHBondContact O-CD2 3.27Å; M167-H171 PolarHBondContact O-N 2.96Å; A168-H171 PolarHBondContact O-N 2.82Å; F169-H171 VanDerWaalsContact C-N 3.33Å; F169-H171 PolarHBondContact O-N 3.49Å; H171-I173 PolarHBondContact O-N 3.27Å; H171-Q174 PolarHBondContact O-N 3.35Å; H171-A175 WeakPolarHBondContact O-CB 3.46Å; H171-A175 PolarHBondContact O-N 2.99Å; H171-Y310 HydrophobicContact CB-CD1 3.77Å; H171-Y310 HydrophobicContact CB-CG 3.85Å; H171-N311 PolarHBondContact CE1-OD1 3.36Å; H171-N311 PolarHBondContact NE2-ND2 3.2Å; H171-N311 PolarHBondContact NE2-OD1 3.29Å |
| 172 | V | 89.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 111 | V113 A168 F169 Q174 A175 C176 M264 Y267 Y310 | V113-V172 HydrophobicContact CG1-CG2 4.01Å; A168-V172 WeakPolarHBondContact O-CG2 3.49Å; A168-V172 PolarHBondContact O-N 3.26Å; A168-V172 VanDerWaalsContact O-N 3.14Å; F169-V172 PolarHBondContact O-N 2.8Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.29Å; V172-A175 PolarHBondContact O-N 2.97Å; V172-C176 VanDerWaalsContact O-CB 3.23Å; V172-C176 WeakPolarHBondContact O-CB 3.37Å; V172-C176 PolarHBondContact O-N 2.88Å; V172-C176 PolarHBondContact O-SG 3.48Å; V172-M264 HydrophobicContact CB-CE 3.64Å; V172-M264 HydrophobicContact CB-SD 4.41Å; V172-M264 HydrophobicContact CG1-CB 4.04Å; V172-M264 HydrophobicContact CG1-CE 3.27Å; V172-M264 HydrophobicContact CG1-CG 4.43Å; V172-M264 HydrophobicContact CG1-SD 3.57Å; V172-M264 VanDerWaalsContact CG1-SD 3.57Å; V172-Y267 HydrophobicContact CB-CD1 4.27Å; V172-Y267 HydrophobicContact CG1-CD1 3.87Å; V172-Y267 HydrophobicContact CG2-CD1 4Å; V172-Y267 HydrophobicContact CG2-CE1 4.21Å; V172-Y310 HydrophobicContact CG2-CD1 4.29Å; V172-Y310 HydrophobicContact CG2-CE1 3.34Å |
| 173 | I | 87.2 | Confident | 79.8 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.8 | -72.5 | 164 | 0 | 0 | 0 | 110.7 | F169 H171 A175 N208 P209 I210 M264 | F169-I173 HydrophobicContact CB-CD1 4.4Å; F169-I173 VanDerWaalsContact O-CB 3.29Å; F169-I173 WeakPolarHBondContact O-CB 3.41Å; F169-I173 WeakPolarHBondContact O-CD1 3.15Å; F169-I173 WeakPolarHBondContact O-CG1 3.34Å; F169-I173 PolarHBondContact O-N 3.09Å; H171-I173 PolarHBondContact O-N 3.27Å; I173-A175 VanDerWaalsContact C-N 3.32Å; I173-A175 PolarHBondContact O-N 3.1Å; I173-N208 WeakPolarHBondContact CD1-OD1 3.29Å; I173-P209 HydrophobicContact CB-CG 4.48Å; I173-P209 HydrophobicContact CG1-CG 4.03Å; I173-P209 VanDerWaalsContact CG2-CD 3.42Å; I173-P209 HydrophobicContact CG2-CG 3.81Å; I173-I210 HydrophobicContact CD1-CD1 3.82Å; I173-I210 HydrophobicContact CD1-CG1 4.17Å; I173-M264 HydrophobicContact CB-CE 4.4Å; I173-M264 HydrophobicContact CG1-CE 3.53Å; I173-M264 HydrophobicContact CG1-SD 4.26Å |
| 174 | Q | 84.2 | Confident | 78.8 | Confident | 143 Ų | 143 | 49.4 Ų | 49.4 | 67% | 0.668 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68.2 | -34.1 | -179.3 | -176.6 | 175.1 | -7.4 | 0 | 0 | 112.2 | A170 H171 V172 | A170-Q174 VanDerWaalsContact O-CB 3.31Å; A170-Q174 WeakPolarHBondContact O-CB 3.31Å; A170-Q174 PolarHBondContact O-N 3Å; H171-Q174 PolarHBondContact O-N 3.35Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 3.29Å |
| 175 | A | 82.2 | Confident | 77.6 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -85.3 | -31.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H171 V172 I173 G177 Y267 | H171-A175 WeakPolarHBondContact O-CB 3.46Å; H171-A175 PolarHBondContact O-N 2.99Å; V172-A175 PolarHBondContact O-N 2.97Å; I173-A175 VanDerWaalsContact C-N 3.32Å; I173-A175 PolarHBondContact O-N 3.1Å; A175-G177 PolarHBondContact O-N 3.42Å; A175-Y267 HydrophobicContact CB-CD1 4.34Å; A175-Y267 HydrophobicContact CB-CD2 4.07Å; A175-Y267 HydrophobicContact CB-CE1 3.68Å; A175-Y267 HydrophobicContact CB-CE2 3.41Å; A175-Y267 VanDerWaalsContact CB-CE2 3.41Å; A175-Y267 HydrophobicContact CB-CG 4.49Å; A175-Y267 VanDerWaalsContact CB-OH 3.31Å; A175-Y267 WeakPolarHBondContact CB-OH 3.15Å |
| 176 | C | 76.7 | Confident | 76.6 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -75.4 | 78.4 | 169.3 | -62.3 | 0 | 0 | 0 | 0 | 107.9 | V172 S178 M264 Y267 | V172-C176 VanDerWaalsContact O-CB 3.23Å; V172-C176 WeakPolarHBondContact O-CB 3.37Å; V172-C176 PolarHBondContact O-N 2.88Å; V172-C176 PolarHBondContact O-SG 3.48Å; C176-S178 PolarHBondContact O-N 3.48Å; C176-M264 HydrophobicContact CB-SD 3.76Å; C176-M264 VanDerWaalsContact SG-SD 3.68Å; C176-Y267 WeakPolarHBondContact SG-CB 3.19Å |
| 177 | G | 60.7 | Low | 75.9 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 62% | 0.619 | 28% | 0.277 | S | S | * | . | trans | -43.7 | 136.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A175 S179 | A175-G177 PolarHBondContact O-N 3.42Å; G177-S179 PolarHBondContact O-N 3.41Å | ||
| 178 | S | 55 | Low | 75 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 10.9 | 93.6 | -176 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | C176 W180 | C176-S178 PolarHBondContact O-N 3.48Å; S178-W180 PolarHBondContact O-N 3.25Å |
| 179 | S | 57.7 | Low | 73.8 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | trans | -43.8 | 139.6 | 169.1 | -52.9 | 0 | 0 | 0 | 0 | 108.2 | G177 L181 Q182 E183 P209 | G177-S179 PolarHBondContact O-N 3.41Å; S179-L181 CarbonylContact O-C 3.57Å; S179-L181 PolarHBondContact O-N 2.92Å; S179-Q182 CarbonylContact O-C 3.52Å; S179-Q182 VanDerWaalsContact O-CA 3.29Å; S179-Q182 WeakPolarHBondContact O-CA 3.35Å; S179-Q182 VanDerWaalsContact O-CB 3.31Å; S179-Q182 WeakPolarHBondContact O-CB 3.46Å; S179-Q182 PolarHBondContact O-N 2.97Å; S179-E183 PolarHBondContact O-N 2.89Å; S179-P209 VanDerWaalsContact OG-CB 3.28Å; S179-P209 WeakPolarHBondContact OG-CB 3.48Å | ||
| 180 | W | 63.6 | Low | 72.9 | Confident | 169 Ų | 169 | 57.9 Ų | 57.9 | 64% | 0.64 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -43 | -39.9 | 179.8 | 176.1 | 89.8 | 0 | 0 | 0 | 111.7 | S178 E183 H184 | S178-W180 PolarHBondContact O-N 3.25Å; W180-E183 PolarHBondContact O-N 3.14Å; W180-H184 AromaticContact CD1-NE2 3.96Å; W180-H184 AromaticContact CD2-CD2 3.5Å; W180-H184 VanDerWaalsContact CD2-CD2 3.5Å; W180-H184 AromaticContact CD2-NE2 3.94Å; W180-H184 AromaticContact CE2-CD2 3.25Å; W180-H184 AromaticContact CE2-NE2 3.21Å; W180-H184 AromaticContact CE3-CD2 3.92Å; W180-H184 AromaticContact CH2-CD2 3.89Å; W180-H184 AromaticContact CZ2-CD2 3.47Å; W180-H184 VanDerWaalsContact CZ2-CD2 3.47Å; W180-H184 WeakPolarHBondContact CZ2-CD2 3.41Å; W180-H184 AromaticContact CZ2-NE2 3.35Å; W180-H184 WeakPolarHBondContact CZ2-NE2 3.46Å; W180-H184 AromaticContact NE1-CD2 3.62Å; W180-H184 AromaticContact NE1-NE2 3.26Å; W180-H184 PolarHBondContact NE1-NE2 3.01Å; W180-H184 PolarHBondContact O-CD2 3.47Å; W180-H184 PolarHBondContact O-N 3.38Å |
| 181 | L | 62.4 | Low | 72.1 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.6 | -151.5 | 158.1 | 0 | 0 | 0 | 113.9 | S179 T185 L212 I213 T216 M256 | S179-L181 CarbonylContact O-C 3.57Å; S179-L181 PolarHBondContact O-N 2.92Å; L181-T185 WeakPolarHBondContact O-CB 3.42Å; L181-T185 PolarHBondContact O-N 3.36Å; L181-T185 PolarHBondContact O-OG1 3.38Å; L181-L212 HydrophobicContact CD2-CB 4.22Å; L181-L212 HydrophobicContact CD2-CD1 4.27Å; L181-L212 HydrophobicContact CD2-CD2 3.2Å; L181-L212 HydrophobicContact CD2-CG 3.25Å; L181-I213 HydrophobicContact CD1-CG1 4.27Å; L181-T216 HydrophobicContact CD2-CG2 4.34Å; L181-M256 HydrophobicContact CD1-CB 4.09Å; L181-M256 HydrophobicContact CD1-CE 3.5Å; L181-M256 VanDerWaalsContact CD1-CE 3.5Å; L181-M256 HydrophobicContact CD1-CG 4.34Å; L181-M256 HydrophobicContact CD2-CE 4.32Å; L181-M256 HydrophobicContact CG-CE 4Å |
| 182 | Q | 65.7 | Low | 71.1 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.6 | -38 | 173.8 | -170.3 | 178.8 | 16.2 | 0 | 0 | 112.1 | S179 T185 T186 V207 | S179-Q182 CarbonylContact O-C 3.52Å; S179-Q182 VanDerWaalsContact O-CA 3.29Å; S179-Q182 WeakPolarHBondContact O-CA 3.35Å; S179-Q182 VanDerWaalsContact O-CB 3.31Å; S179-Q182 WeakPolarHBondContact O-CB 3.46Å; S179-Q182 PolarHBondContact O-N 2.97Å; Q182-T185 PolarHBondContact O-N 3.34Å; Q182-T186 WeakPolarHBondContact O-CB 3.48Å; Q182-T186 PolarHBondContact O-N 2.97Å; Q182-T186 PolarHBondContact O-OG1 3.15Å; Q182-V207 PolarHBondContact NE2-O 3.33Å; Q182-V207 VanDerWaalsContact NE2-O 3.11Å |
| 183 | E | 71 | Confident | 70 | Confident | 106 Ų | 106 | 60.1 Ų | 60.1 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -52.2 | 174.7 | -171.3 | 170.9 | -161.6 | 0 | 0 | 110.1 | S179 W180 T185 T186 D187 | S179-E183 PolarHBondContact O-N 2.89Å; W180-E183 PolarHBondContact O-N 3.14Å; E183-T185 PolarHBondContact O-N 2.87Å; E183-T186 PolarHBondContact O-N 3.24Å; E183-T186 VanDerWaalsContact O-N 3.13Å; E183-D187 PolarHBondContact O-N 3.38Å |
| 184 | H | 72.9 | Confident | 69.3 | Low | 83 Ų | 83 | 68.3 Ų | 68.3 | 38% | 0.384 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.9 | -81.3 | -64.9 | 0 | 0 | 0 | 113 | W180 T186 D187 I188 | W180-H184 AromaticContact CD1-NE2 3.96Å; W180-H184 AromaticContact CD2-CD2 3.5Å; W180-H184 VanDerWaalsContact CD2-CD2 3.5Å; W180-H184 AromaticContact CD2-NE2 3.94Å; W180-H184 AromaticContact CE2-CD2 3.25Å; W180-H184 AromaticContact CE2-NE2 3.21Å; W180-H184 AromaticContact CE3-CD2 3.92Å; W180-H184 AromaticContact CH2-CD2 3.89Å; W180-H184 AromaticContact CZ2-CD2 3.47Å; W180-H184 VanDerWaalsContact CZ2-CD2 3.47Å; W180-H184 WeakPolarHBondContact CZ2-CD2 3.41Å; W180-H184 AromaticContact CZ2-NE2 3.35Å; W180-H184 WeakPolarHBondContact CZ2-NE2 3.46Å; W180-H184 AromaticContact NE1-CD2 3.62Å; W180-H184 AromaticContact NE1-NE2 3.26Å; W180-H184 PolarHBondContact NE1-NE2 3.01Å; W180-H184 PolarHBondContact O-CD2 3.47Å; W180-H184 PolarHBondContact O-N 3.38Å; H184-T186 VanDerWaalsContact C-N 3.31Å; H184-T186 PolarHBondContact O-N 3.38Å; H184-D187 PolarHBondContact O-N 3.38Å; H184-I188 WeakPolarHBondContact O-CB 3.42Å; H184-I188 VanDerWaalsContact O-CG1 3.25Å; H184-I188 WeakPolarHBondContact O-CG1 3.41Å; H184-I188 PolarHBondContact O-N 2.97Å |
| 185 | T | 68.5 | Low | 68.9 | Low | 33 Ų | 33 | 67.8 Ų | 67.8 | 20% | 0.202 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67 | -34.8 | 177.7 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | L181 Q182 E183 D187 S189 L212 | L181-T185 WeakPolarHBondContact O-CB 3.42Å; L181-T185 PolarHBondContact O-N 3.36Å; L181-T185 PolarHBondContact O-OG1 3.38Å; Q182-T185 PolarHBondContact O-N 3.34Å; E183-T185 PolarHBondContact O-N 2.87Å; T185-D187 VanDerWaalsContact C-N 3.29Å; T185-S189 WeakPolarHBondContact O-CA 3.4Å; T185-S189 WeakPolarHBondContact O-CB 3.33Å; T185-S189 PolarHBondContact O-N 3.4Å; T185-S189 PolarHBondContact O-OG 3.24Å; T185-L212 HydrophobicContact CG2-CD1 3.64Å; T185-L212 HydrophobicContact CG2-CD2 3.94Å; T185-L212 HydrophobicContact CG2-CG 4.42Å; T185-L212 WeakPolarHBondContact OG1-CD2 3.4Å |
| 186 | T | 69.9 | Low | 68.6 | Low | 38 Ų | 38 | 70.1 Ų | 70.1 | 23% | 0.233 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 175.6 | -57 | 0 | 0 | 0 | 0 | 110.4 | Q182 E183 H184 S189 R190 | Q182-T186 WeakPolarHBondContact O-CB 3.48Å; Q182-T186 PolarHBondContact O-N 2.97Å; Q182-T186 PolarHBondContact O-OG1 3.15Å; E183-T186 PolarHBondContact O-N 3.24Å; E183-T186 VanDerWaalsContact O-N 3.13Å; H184-T186 VanDerWaalsContact C-N 3.31Å; H184-T186 PolarHBondContact O-N 3.38Å; T186-S189 WeakPolarHBondContact CA-OG 3.47Å; T186-S189 PolarHBondContact O-OG 2.98Å; T186-R190 VanDerWaalsContact O-CB 3.3Å; T186-R190 WeakPolarHBondContact O-CB 3.45Å; T186-R190 WeakPolarHBondContact O-CD 3.46Å; T186-R190 WeakPolarHBondContact O-CG 3.49Å; T186-R190 PolarHBondContact O-N 3.16Å |
| 187 | D | 74.8 | Confident | 68 | Low | 69 Ų | 69 | 74.4 Ų | 74.4 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -73.6 | -40.9 | 176.4 | -72.9 | -19 | 0 | 0 | 0 | 112.8 | E183 H184 T185 R190 T191 | E183-D187 PolarHBondContact O-N 3.38Å; H184-D187 PolarHBondContact O-N 3.38Å; T185-D187 VanDerWaalsContact C-N 3.29Å; D187-R190 PolarHBondContact O-N 3.01Å; D187-R190 IonicContact OD1-CZ 2.73Å; D187-R190 IonicContact OD1-NH1 3.81Å; D187-R190 PolarHBondContact OD1-NH1 3.09Å; D187-T191 WeakPolarHBondContact O-CB 3.4Å; D187-T191 PolarHBondContact O-N 3.08Å; D187-T191 PolarHBondContact O-OG1 2.98Å |
| 188 | I | 71.3 | Confident | 68.1 | Low | 97 Ų | 97 | 74.4 Ų | 74.4 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 171.3 | -68.7 | 165.9 | 0 | 0 | 0 | 109.4 | H184 R190 T191 I192 | H184-I188 WeakPolarHBondContact O-CB 3.42Å; H184-I188 VanDerWaalsContact O-CG1 3.25Å; H184-I188 WeakPolarHBondContact O-CG1 3.41Å; H184-I188 PolarHBondContact O-N 2.97Å; I188-R190 PolarHBondContact O-N 3.43Å; I188-T191 CarbonylContact O-C 3.55Å; I188-T191 WeakPolarHBondContact O-CA 3.47Å; I188-T191 WeakPolarHBondContact O-CB 3.34Å; I188-T191 PolarHBondContact O-N 3.46Å; I188-I192 HydrophobicContact CG2-CD1 3.6Å; I188-I192 HydrophobicContact CG2-CG1 4.14Å; I188-I192 VanDerWaalsContact O-CG1 3.31Å; I188-I192 WeakPolarHBondContact O-CG1 3.33Å; I188-I192 PolarHBondContact O-N 2.87Å |
| 189 | S | 67.7 | Low | 68.4 | Low | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | -179.9 | 76.4 | 0 | 0 | 0 | 0 | 111 | T185 T186 T191 I192 C193 | T185-S189 WeakPolarHBondContact O-CA 3.4Å; T185-S189 WeakPolarHBondContact O-CB 3.33Å; T185-S189 PolarHBondContact O-N 3.4Å; T185-S189 PolarHBondContact O-OG 3.24Å; T186-S189 WeakPolarHBondContact CA-OG 3.47Å; T186-S189 PolarHBondContact O-OG 2.98Å; S189-T191 VanDerWaalsContact C-N 3.25Å; S189-T191 PolarHBondContact O-N 3.09Å; S189-I192 PolarHBondContact O-N 3.41Å; S189-C193 WeakPolarHBondContact O-CB 3.44Å; S189-C193 PolarHBondContact O-N 3.46Å; S189-C193 PolarHBondContact O-SG 3.32Å |
| 190 | R | 71.8 | Confident | 68.5 | Low | 127 Ų | 127 | 75.5 Ų | 75.5 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 170.7 | -76.4 | 168.1 | -172.4 | 155.9 | -0.6 | 111.3 | T186 D187 I188 C193 R194 L204 | T186-R190 VanDerWaalsContact O-CB 3.3Å; T186-R190 WeakPolarHBondContact O-CB 3.45Å; T186-R190 WeakPolarHBondContact O-CD 3.46Å; T186-R190 WeakPolarHBondContact O-CG 3.49Å; T186-R190 PolarHBondContact O-N 3.16Å; D187-R190 PolarHBondContact O-N 3.01Å; D187-R190 IonicContact OD1-CZ 2.73Å; D187-R190 IonicContact OD1-NH1 3.81Å; D187-R190 PolarHBondContact OD1-NH1 3.09Å; I188-R190 PolarHBondContact O-N 3.43Å; R190-C193 PolarHBondContact O-N 3.48Å; R190-R194 WeakPolarHBondContact O-CG 3.36Å; R190-R194 PolarHBondContact O-N 3.2Å; R190-L204 HydrophobicContact CG-CD2 4.42Å |
| 191 | T | 72 | Confident | 68.2 | Low | 68 Ų | 68 | 78.4 Ų | 78.4 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | D187 I188 S189 C193 R194 I195 | D187-T191 WeakPolarHBondContact O-CB 3.4Å; D187-T191 PolarHBondContact O-N 3.08Å; D187-T191 PolarHBondContact O-OG1 2.98Å; I188-T191 CarbonylContact O-C 3.55Å; I188-T191 WeakPolarHBondContact O-CA 3.47Å; I188-T191 WeakPolarHBondContact O-CB 3.34Å; I188-T191 PolarHBondContact O-N 3.46Å; S189-T191 VanDerWaalsContact C-N 3.25Å; S189-T191 PolarHBondContact O-N 3.09Å; T191-C193 VanDerWaalsContact C-N 3.31Å; T191-C193 PolarHBondContact O-N 3.16Å; T191-R194 WeakPolarHBondContact O-CB 3.24Å; T191-R194 PolarHBondContact O-N 3.39Å; T191-I195 PolarHBondContact O-N 3.24Å |
| 192 | I | 67.6 | Low | 67.9 | Low | 64 Ų | 64 | 83.1 Ų | 83.1 | 33% | 0.328 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 175.7 | -61.1 | 168.9 | 0 | 0 | 0 | 110.4 | I188 S189 R194 I195 I196 L199 | I188-I192 HydrophobicContact CG2-CD1 3.6Å; I188-I192 HydrophobicContact CG2-CG1 4.14Å; I188-I192 VanDerWaalsContact O-CG1 3.31Å; I188-I192 WeakPolarHBondContact O-CG1 3.33Å; I188-I192 PolarHBondContact O-N 2.87Å; S189-I192 PolarHBondContact O-N 3.41Å; I192-R194 VanDerWaalsContact C-N 3.27Å; I192-R194 PolarHBondContact O-N 2.91Å; I192-I195 CarbonylContact O-C 3.51Å; I192-I195 WeakPolarHBondContact O-CA 3.42Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 2.83Å; I192-I196 PolarHBondContact O-N 2.69Å; I192-L199 HydrophobicContact CG2-CD2 3.45Å; I192-L199 VanDerWaalsContact CG2-CD2 3.45Å |
| 193 | C | 66.8 | Low | 67.4 | Low | 16 Ų | 16 | 84.4 Ų | 84.4 | 11% | 0.108 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68.2 | -25.9 | 177.1 | -68 | 0 | 0 | 0 | 0 | 112.4 | S189 R190 T191 I195 I196 P197 L199 S200 | S189-C193 WeakPolarHBondContact O-CB 3.44Å; S189-C193 PolarHBondContact O-N 3.46Å; S189-C193 PolarHBondContact O-SG 3.32Å; R190-C193 PolarHBondContact O-N 3.48Å; T191-C193 VanDerWaalsContact C-N 3.31Å; T191-C193 PolarHBondContact O-N 3.16Å; C193-I195 VanDerWaalsContact C-N 3.34Å; C193-I196 CarbonylContact O-C 3.29Å; C193-I196 VanDerWaalsContact O-C 3.29Å; C193-P197 WeakPolarHBondContact O-CA 3.34Å; C193-L199 VanDerWaalsContact SG-C 3.54Å; C193-S200 WeakPolarHBondContact SG-CA 3.47Å; C193-S200 PolarHBondContact SG-N 3.25Å |
| 194 | R | 72.7 | Confident | 66.7 | Low | 201 Ų | 201 | 83.6 Ų | 83.6 | 76% | 0.758 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.8 | -34.6 | 167.9 | -73.6 | 174 | -174.2 | 141.6 | -1.1 | 111.8 | R190 T191 I192 | R190-R194 WeakPolarHBondContact O-CG 3.36Å; R190-R194 PolarHBondContact O-N 3.2Å; T191-R194 WeakPolarHBondContact O-CB 3.24Å; T191-R194 PolarHBondContact O-N 3.39Å; I192-R194 VanDerWaalsContact C-N 3.27Å; I192-R194 PolarHBondContact O-N 2.91Å |
| 195 | I | 76.2 | Confident | 65.8 | Low | 131 Ų | 131 | 83.6 Ų | 83.6 | 67% | 0.672 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76.5 | -38.5 | 177.1 | -59.4 | 169.1 | 0 | 0 | 0 | 110.6 | T191 I192 C193 | T191-I195 PolarHBondContact O-N 3.24Å; I192-I195 CarbonylContact O-C 3.51Å; I192-I195 WeakPolarHBondContact O-CA 3.42Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 2.83Å; C193-I195 VanDerWaalsContact C-N 3.34Å |
| 196 | I | 74.8 | Confident | 65.5 | Low | 88 Ų | 88 | 92.7 Ų | 92.7 | 45% | 0.451 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -128.4 | 92 | -176 | -52.4 | 177.5 | 0 | 0 | 0 | 108.9 | I192 C193 G198 L199 | I192-I196 PolarHBondContact O-N 2.69Å; C193-I196 CarbonylContact O-C 3.29Å; C193-I196 VanDerWaalsContact O-C 3.29Å; I196-G198 PolarHBondContact O-N 3.14Å; I196-G198 VanDerWaalsContact O-N 3.09Å; I196-L199 HydrophobicContact CB-CB 4.21Å; I196-L199 HydrophobicContact CG2-CB 4.12Å; I196-L199 WeakPolarHBondContact O-CB 3.49Å; I196-L199 PolarHBondContact O-N 3.44Å |
| 197 | P | 64.5 | Low | 65.3 | Low | 102 Ų | 102 | 92.9 Ų | 92.9 | 66% | 0.662 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -61.7 | -24.5 | -171.1 | 18.5 | -29.4 | 0 | 0 | 0 | 114.5 | C193 L199 S200 | C193-P197 WeakPolarHBondContact O-CA 3.34Å; P197-L199 VanDerWaalsContact C-N 3.32Å; P197-L199 PolarHBondContact O-N 3Å; P197-S200 PolarHBondContact O-OG 2.94Å |
| 198 | G | 63.9 | Low | 65.6 | Low | 59 Ų | 59 | 91.7 Ų | 91.7 | 61% | 0.608 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -73.7 | -19.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I196 S200 | I196-G198 PolarHBondContact O-N 3.14Å; I196-G198 VanDerWaalsContact O-N 3.09Å; G198-S200 VanDerWaalsContact C-N 3.28Å; G198-S200 PolarHBondContact O-N 3.4Å |
| 199 | L | 60 | Low | 66.3 | Low | 54 Ų | 54 | 87.2 Ų | 87.2 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -78.9 | -16 | -175.7 | -150.1 | 66.9 | 0 | 0 | 0 | 112.5 | I192 C193 I196 P197 R201 V202 L203 | I192-L199 HydrophobicContact CG2-CD2 3.45Å; I192-L199 VanDerWaalsContact CG2-CD2 3.45Å; C193-L199 VanDerWaalsContact SG-C 3.54Å; I196-L199 HydrophobicContact CB-CB 4.21Å; I196-L199 HydrophobicContact CG2-CB 4.12Å; I196-L199 WeakPolarHBondContact O-CB 3.49Å; I196-L199 PolarHBondContact O-N 3.44Å; P197-L199 VanDerWaalsContact C-N 3.32Å; P197-L199 PolarHBondContact O-N 3Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 3.45Å; L199-V202 PolarHBondContact O-N 3.28Å; L199-V202 VanDerWaalsContact O-N 3.08Å; L199-L203 HydrophobicContact CB-CD1 4.26Å; L199-L203 HydrophobicContact CD2-CD1 3.26Å; L199-L203 HydrophobicContact CD2-CG 4.16Å; L199-L203 HydrophobicContact CG-CD1 3.43Å; L199-L203 VanDerWaalsContact CG-CD1 3.43Å; L199-L203 HydrophobicContact CG-CG 3.85Å; L199-L203 WeakPolarHBondContact O-CB 3.38Å; L199-L203 PolarHBondContact O-N 3.28Å |
| 200 | S | 60.7 | Low | 67.3 | Low | 36 Ų | 36 | 87.1 Ų | 87.1 | 25% | 0.252 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.1 | -42.7 | 177.5 | 60.3 | 0 | 0 | 0 | 0 | 113 | C193 P197 G198 V202 L204 | C193-S200 WeakPolarHBondContact SG-CA 3.47Å; C193-S200 PolarHBondContact SG-N 3.25Å; P197-S200 PolarHBondContact O-OG 2.94Å; G198-S200 VanDerWaalsContact C-N 3.28Å; G198-S200 PolarHBondContact O-N 3.4Å; S200-V202 VanDerWaalsContact C-N 3.26Å; S200-V202 PolarHBondContact O-N 2.88Å; S200-L204 WeakPolarHBondContact O-CB 3.22Å; S200-L204 VanDerWaalsContact O-CD1 3.31Å; S200-L204 WeakPolarHBondContact O-CD1 3.4Å; S200-L204 WeakPolarHBondContact O-CG 3.32Å; S200-L204 PolarHBondContact O-N 2.86Å; S200-L204 VanDerWaalsContact O-N 3.16Å |
| 201 | R | 56.3 | Low | 68.1 | Low | 231 Ų | 231 | 81.4 Ų | 81.4 | 87% | 0.872 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.1 | -23.9 | 179.2 | -71.6 | -174.9 | -175.5 | 171.5 | 1.8 | 113.3 | L199 | L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 3.45Å |
| 202 | V | 56.5 | Low | 68.8 | Low | 107 Ų | 107 | 78.8 Ų | 78.8 | 65% | 0.648 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -92.2 | -37.9 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | L199 S200 P205 | L199-V202 PolarHBondContact O-N 3.28Å; L199-V202 VanDerWaalsContact O-N 3.08Å; S200-V202 VanDerWaalsContact C-N 3.26Å; S200-V202 PolarHBondContact O-N 2.88Å; V202-P205 WeakPolarHBondContact O-CD 3.4Å |
| 203 | L | 55.3 | Low | 69.9 | Low | 56 Ų | 56 | 75.9 Ų | 75.9 | 29% | 0.293 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -93.1 | -19.1 | -173.3 | -75.6 | 174.8 | 0 | 0 | 0 | 115.5 | L199 | L199-L203 HydrophobicContact CB-CD1 4.26Å; L199-L203 HydrophobicContact CD2-CD1 3.26Å; L199-L203 HydrophobicContact CD2-CG 4.16Å; L199-L203 HydrophobicContact CG-CD1 3.43Å; L199-L203 VanDerWaalsContact CG-CD1 3.43Å; L199-L203 HydrophobicContact CG-CG 3.85Å; L199-L203 WeakPolarHBondContact O-CB 3.38Å; L199-L203 PolarHBondContact O-N 3.28Å |
| 204 | L | 56 | Low | 71.2 | Confident | 89 Ų | 89 | 75.1 Ų | 75.1 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | trans | -87.1 | -10.6 | -174.8 | -65.7 | 171 | 0 | 0 | 0 | 118 | R190 S200 R206 | R190-L204 HydrophobicContact CG-CD2 4.42Å; S200-L204 WeakPolarHBondContact O-CB 3.22Å; S200-L204 VanDerWaalsContact O-CD1 3.31Å; S200-L204 WeakPolarHBondContact O-CD1 3.4Å; S200-L204 WeakPolarHBondContact O-CG 3.32Å; S200-L204 PolarHBondContact O-N 2.86Å; S200-L204 VanDerWaalsContact O-N 3.16Å; L204-R206 PolarHBondContact O-N 3.17Å | ||
| 205 | P | 55.3 | Low | 72 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -75.7 | 119.2 | 177.1 | 28.1 | -26.7 | 0 | 0 | 0 | 109.3 | V202 V207 | V202-P205 WeakPolarHBondContact O-CD 3.4Å; P205-V207 VanDerWaalsContact C-N 3.35Å; P205-V207 WeakPolarHBondContact O-CA 3.45Å; P205-V207 WeakPolarHBondContact O-CG2 3.48Å; P205-V207 PolarHBondContact O-N 2.96Å |
| 206 | R | 61.9 | Low | 72.7 | Confident | 223 Ų | 223 | 63.2 Ų | 63.2 | 84% | 0.842 | 34% | 0.337 | S | S | * | . | trans | -8.7 | 82.6 | 172.8 | -67 | -178 | 179.8 | 168.2 | -0 | 113.4 | L204 N208 | L204-R206 PolarHBondContact O-N 3.17Å; R206-N208 PolarHBondContact O-N 2.83Å | ||
| 207 | V | 66.1 | Low | 73.6 | Confident | 43 Ų | 43 | 59.1 Ų | 59.1 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | trans | -67.3 | 126.6 | -174.7 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | Q182 P205 P209 L212 | Q182-V207 PolarHBondContact NE2-O 3.33Å; Q182-V207 VanDerWaalsContact NE2-O 3.11Å; P205-V207 VanDerWaalsContact C-N 3.35Å; P205-V207 WeakPolarHBondContact O-CA 3.45Å; P205-V207 WeakPolarHBondContact O-CG2 3.48Å; P205-V207 PolarHBondContact O-N 2.96Å; V207-P209 WeakPolarHBondContact O-CD 3.38Å; V207-L212 HydrophobicContact CG1-CB 4.05Å | ||
| 208 | N | 80.9 | Confident | 75.1 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | trans | -59.3 | 120 | 174 | -179.9 | -22.5 | 0 | 0 | 0 | 108.2 | I161 I173 R206 I210 S211 L212 | I161-N208 WeakPolarHBondContact CG2-ND2 3.24Å; I173-N208 WeakPolarHBondContact CD1-OD1 3.29Å; R206-N208 PolarHBondContact O-N 2.83Å; N208-I210 PolarHBondContact O-N 3.03Å; N208-I210 VanDerWaalsContact O-N 3.14Å; N208-I210 WeakPolarHBondContact OD1-CB 3.29Å; N208-I210 PolarHBondContact OD1-N 3.05Å; N208-S211 WeakPolarHBondContact O-CB 3.28Å; N208-S211 PolarHBondContact O-N 3.04Å; N208-L212 PolarHBondContact O-N 3.5Å | ||
| 209 | P | 84.8 | Confident | 76.5 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -28.3 | -177.2 | 24.7 | -34.4 | 0 | 0 | 0 | 112.4 | I173 S179 V207 L212 I213 T260 | I173-P209 HydrophobicContact CB-CG 4.48Å; I173-P209 HydrophobicContact CG1-CG 4.03Å; I173-P209 VanDerWaalsContact CG2-CD 3.42Å; I173-P209 HydrophobicContact CG2-CG 3.81Å; S179-P209 VanDerWaalsContact OG-CB 3.28Å; S179-P209 WeakPolarHBondContact OG-CB 3.48Å; V207-P209 WeakPolarHBondContact O-CD 3.38Å; P209-L212 PolarHBondContact O-N 3.12Å; P209-I213 PolarHBondContact O-N 3.45Å; P209-T260 HydrophobicContact CB-CG2 4.19Å |
| 210 | I | 88.3 | Confident | 78.2 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68 | -45.9 | 175.4 | -54 | 176.5 | 0 | 0 | 0 | 110.6 | F77 H157 I161 F169 I173 N208 L212 I213 G214 | F77-I210 HydrophobicContact CE1-CD1 4.05Å; F77-I210 HydrophobicContact CE1-CG1 4.31Å; F77-I210 HydrophobicContact CE1-CG2 3.9Å; F77-I210 HydrophobicContact CZ-CD1 4.24Å; H157-I210 PolarHBondContact CE1-O 3.43Å; H157-I210 PolarHBondContact NE2-O 3.27Å; I161-I210 HydrophobicContact CD1-CB 4.06Å; I161-I210 HydrophobicContact CD1-CG2 3.34Å; I161-I210 HydrophobicContact CG1-CG2 4.11Å; F169-I210 HydrophobicContact CD1-CD1 4.14Å; F169-I210 HydrophobicContact CG-CD1 4.42Å; I173-I210 HydrophobicContact CD1-CD1 3.82Å; I173-I210 HydrophobicContact CD1-CG1 4.17Å; N208-I210 PolarHBondContact O-N 3.03Å; N208-I210 VanDerWaalsContact O-N 3.14Å; N208-I210 WeakPolarHBondContact OD1-CB 3.29Å; N208-I210 PolarHBondContact OD1-N 3.05Å; I210-L212 PolarHBondContact O-N 3.11Å; I210-I213 WeakPolarHBondContact O-CB 3.38Å; I210-I213 VanDerWaalsContact O-CG2 3.29Å; I210-I213 WeakPolarHBondContact O-CG2 3.49Å; I210-I213 PolarHBondContact O-N 2.78Å; I210-I213 VanDerWaalsContact O-N 3.16Å; I210-G214 PolarHBondContact O-N 3.26Å |
| 211 | S | 88.6 | Confident | 79.8 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 175.9 | 176 | 0 | 0 | 0 | 0 | 111.9 | N208 I213 G214 V215 | N208-S211 WeakPolarHBondContact O-CB 3.28Å; N208-S211 PolarHBondContact O-N 3.04Å; S211-I213 VanDerWaalsContact C-N 3.32Å; S211-G214 PolarHBondContact O-N 3.03Å; S211-V215 WeakPolarHBondContact O-CG2 3.43Å; S211-V215 PolarHBondContact O-N 2.63Å |
| 212 | L | 87.4 | Confident | 81.7 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68 | -34.4 | 178.7 | -175.7 | 58.7 | 0 | 0 | 0 | 111.9 | L181 T185 V207 N208 P209 I210 G214 V215 T216 | L181-L212 HydrophobicContact CD2-CB 4.22Å; L181-L212 HydrophobicContact CD2-CD1 4.27Å; L181-L212 HydrophobicContact CD2-CD2 3.2Å; L181-L212 HydrophobicContact CD2-CG 3.25Å; T185-L212 HydrophobicContact CG2-CD1 3.64Å; T185-L212 HydrophobicContact CG2-CD2 3.94Å; T185-L212 HydrophobicContact CG2-CG 4.42Å; T185-L212 WeakPolarHBondContact OG1-CD2 3.4Å; V207-L212 HydrophobicContact CG1-CB 4.05Å; N208-L212 PolarHBondContact O-N 3.5Å; P209-L212 PolarHBondContact O-N 3.12Å; I210-L212 PolarHBondContact O-N 3.11Å; L212-G214 VanDerWaalsContact C-N 3.3Å; L212-G214 PolarHBondContact O-N 3.38Å; L212-V215 PolarHBondContact O-N 3.19Å; L212-T216 HydrophobicContact CD1-CG2 4.42Å; L212-T216 WeakPolarHBondContact O-CB 3.49Å; L212-T216 VanDerWaalsContact O-CG2 3.32Å; L212-T216 WeakPolarHBondContact O-CG2 3.37Å; L212-T216 PolarHBondContact O-N 3.4Å; L212-T216 PolarHBondContact O-OG1 2.79Å |
| 213 | I | 91.2 | Very high | 83.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 170.2 | -119.7 | 174.2 | 0 | 0 | 0 | 111.1 | L74 L181 P209 I210 S211 T216 T217 L257 T260 M261 | L74-I213 HydrophobicContact CD1-CG2 3.23Å; L74-I213 HydrophobicContact CD2-CG2 3.59Å; L74-I213 HydrophobicContact CG-CG2 4.05Å; L181-I213 HydrophobicContact CD1-CG1 4.27Å; P209-I213 PolarHBondContact O-N 3.45Å; I210-I213 WeakPolarHBondContact O-CB 3.38Å; I210-I213 VanDerWaalsContact O-CG2 3.29Å; I210-I213 WeakPolarHBondContact O-CG2 3.49Å; I210-I213 PolarHBondContact O-N 2.78Å; I210-I213 VanDerWaalsContact O-N 3.16Å; S211-I213 VanDerWaalsContact C-N 3.32Å; I213-T216 WeakPolarHBondContact CA-OG1 3.39Å; I213-T216 PolarHBondContact O-N 3.29Å; I213-T216 PolarHBondContact O-OG1 3.01Å; I213-T217 WeakPolarHBondContact O-CB 3.46Å; I213-T217 PolarHBondContact O-N 3.15Å; I213-T217 PolarHBondContact O-OG1 2.92Å; I213-L257 HydrophobicContact CD1-CB 4.49Å; I213-L257 HydrophobicContact CD1-CD1 4.02Å; I213-T260 HydrophobicContact CD1-CG2 3.93Å; I213-T260 WeakPolarHBondContact CD1-OG1 3.38Å; I213-M261 HydrophobicContact CD1-CE 4.38Å |
| 214 | G | 92.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H157 I210 S211 L212 T218 | H157-G214 WeakPolarHBondContact NE2-CA 3.37Å; I210-G214 PolarHBondContact O-N 3.26Å; S211-G214 PolarHBondContact O-N 3.03Å; L212-G214 VanDerWaalsContact C-N 3.3Å; L212-G214 PolarHBondContact O-N 3.38Å; G214-T218 WeakPolarHBondContact O-CB 3.38Å; G214-T218 PolarHBondContact O-N 3.42Å; G214-T218 PolarHBondContact O-OG1 3.26Å |
| 215 | V | 91.4 | Very high | 87.2 | Confident | 60 Ų | 60 | 37.6 Ų | 37.6 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61 | -49.9 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | F154 S211 L212 T218 T219 | F154-V215 HydrophobicContact CE2-CG2 3.99Å; F154-V215 HydrophobicContact CZ-CG2 4.11Å; S211-V215 WeakPolarHBondContact O-CG2 3.43Å; S211-V215 PolarHBondContact O-N 2.63Å; L212-V215 PolarHBondContact O-N 3.19Å; V215-T218 PolarHBondContact O-N 3.49Å; V215-T219 WeakPolarHBondContact O-CG2 3.22Å; V215-T219 PolarHBondContact O-N 3.26Å; V215-T219 PolarHBondContact O-OG1 3.38Å |
| 216 | T | 90.7 | Very high | 89.1 | Confident | 22 Ų | 22 | 39 Ų | 39 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | -178.9 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | L181 L212 I213 T218 T219 T220 M256 | L181-T216 HydrophobicContact CD2-CG2 4.34Å; L212-T216 HydrophobicContact CD1-CG2 4.42Å; L212-T216 WeakPolarHBondContact O-CB 3.49Å; L212-T216 VanDerWaalsContact O-CG2 3.32Å; L212-T216 WeakPolarHBondContact O-CG2 3.37Å; L212-T216 PolarHBondContact O-N 3.4Å; L212-T216 PolarHBondContact O-OG1 2.79Å; I213-T216 WeakPolarHBondContact CA-OG1 3.39Å; I213-T216 PolarHBondContact O-N 3.29Å; I213-T216 PolarHBondContact O-OG1 3.01Å; T216-T218 PolarHBondContact O-N 3.49Å; T216-T219 VanDerWaalsContact CA-OG1 3.28Å; T216-T219 WeakPolarHBondContact CA-OG1 3.5Å; T216-T219 PolarHBondContact O-N 2.87Å; T216-T219 PolarHBondContact O-OG1 3.03Å; T216-T220 PolarHBondContact O-N 3.49Å; T216-T220 PolarHBondContact O-OG1 3.05Å; T216-M256 HydrophobicContact CG2-CE 3.55Å; T216-M256 VanDerWaalsContact OG1-CE 3.25Å; T216-M256 WeakPolarHBondContact OG1-CE 3.47Å |
| 217 | T | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57 | -49.1 | 173.3 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | F71 L74 I213 T219 T220 V221 I253 | F71-T217 HydrophobicContact CB-CG2 3.96Å; F71-T217 HydrophobicContact CD1-CG2 4.27Å; F71-T217 HydrophobicContact CD2-CG2 3.47Å; F71-T217 VanDerWaalsContact CD2-CG2 3.47Å; F71-T217 HydrophobicContact CE2-CG2 3.91Å; F71-T217 HydrophobicContact CG-CG2 3.64Å; F71-T217 HydrophobicContact CZ-CG2 4.45Å; L74-T217 HydrophobicContact CD2-CG2 4.29Å; I213-T217 WeakPolarHBondContact O-CB 3.46Å; I213-T217 PolarHBondContact O-N 3.15Å; I213-T217 PolarHBondContact O-OG1 2.92Å; T217-T219 VanDerWaalsContact C-N 3.35Å; T217-T219 PolarHBondContact O-N 3.19Å; T217-T220 PolarHBondContact O-N 3.41Å; T217-V221 HydrophobicContact CG2-CG2 4.46Å; T217-V221 WeakPolarHBondContact O-CG2 3.33Å; T217-V221 PolarHBondContact O-N 3.28Å; T217-I253 HydrophobicContact CG2-CD1 3.83Å; T217-I253 HydrophobicContact CG2-CG1 4.09Å; T217-I253 HydrophobicContact CG2-CG2 3.98Å |
| 218 | T | 94.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 178.1 | -54 | 0 | 0 | 0 | 0 | 111.5 | F71 F154 G214 V215 T216 T220 V221 C222 | F71-T218 VanDerWaalsContact CE2-OG1 3.31Å; F71-T218 WeakPolarHBondContact CE2-OG1 3.36Å; F71-T218 WeakPolarHBondContact CZ-OG1 3.29Å; F154-T218 HydrophobicContact CB-CG2 4.01Å; F154-T218 WeakPolarHBondContact CB-OG1 3.38Å; F154-T218 HydrophobicContact CD1-CG2 4.27Å; F154-T218 HydrophobicContact CD2-CG2 4.26Å; F154-T218 WeakPolarHBondContact CD2-OG1 3.48Å; F154-T218 HydrophobicContact CG-CG2 3.93Å; F154-T218 WeakPolarHBondContact CG-OG1 3.41Å; G214-T218 WeakPolarHBondContact O-CB 3.38Å; G214-T218 PolarHBondContact O-N 3.42Å; G214-T218 PolarHBondContact O-OG1 3.26Å; V215-T218 PolarHBondContact O-N 3.49Å; T216-T218 PolarHBondContact O-N 3.49Å; T218-T220 PolarHBondContact O-N 3.25Å; T218-V221 PolarHBondContact O-N 3.49Å; T218-C222 WeakPolarHBondContact O-CB 3.11Å; T218-C222 PolarHBondContact O-N 3.17Å; T218-C222 PolarHBondContact O-SG 2.74Å |
| 219 | T | 93.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 42% | 0.417 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.7 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | V215 T216 T217 C222 I223 | V215-T219 WeakPolarHBondContact O-CG2 3.22Å; V215-T219 PolarHBondContact O-N 3.26Å; V215-T219 PolarHBondContact O-OG1 3.38Å; T216-T219 VanDerWaalsContact CA-OG1 3.28Å; T216-T219 WeakPolarHBondContact CA-OG1 3.5Å; T216-T219 PolarHBondContact O-N 2.87Å; T216-T219 PolarHBondContact O-OG1 3.03Å; T217-T219 VanDerWaalsContact C-N 3.35Å; T217-T219 PolarHBondContact O-N 3.19Å; T219-C222 PolarHBondContact O-N 3.3Å; T219-I223 WeakPolarHBondContact O-CB 3.32Å; T219-I223 WeakPolarHBondContact O-CD1 3.4Å; T219-I223 VanDerWaalsContact O-CG1 3.23Å; T219-I223 WeakPolarHBondContact O-CG1 3.35Å; T219-I223 PolarHBondContact O-N 3.07Å |
| 220 | T | 94.7 | Very high | 92.3 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 10% | 0.104 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.7 | -59 | 0 | 0 | 0 | 0 | 110.6 | T216 T217 T218 C222 I223 V224 I252 I253 | T216-T220 PolarHBondContact O-N 3.49Å; T216-T220 PolarHBondContact O-OG1 3.05Å; T217-T220 PolarHBondContact O-N 3.41Å; T218-T220 PolarHBondContact O-N 3.25Å; T220-C222 PolarHBondContact O-N 2.78Å; T220-I223 PolarHBondContact O-N 2.72Å; T220-V224 HydrophobicContact CG2-CG2 4.45Å; T220-V224 VanDerWaalsContact O-CG2 3.3Å; T220-V224 WeakPolarHBondContact O-CG2 3.17Å; T220-V224 PolarHBondContact O-N 3.03Å; T220-I252 HydrophobicContact CG2-CB 4.43Å; T220-I252 HydrophobicContact CG2-CG2 4.37Å; T220-I253 HydrophobicContact CG2-CD1 4.13Å; T220-I253 HydrophobicContact CG2-CG1 4.08Å |
| 221 | V | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | T67 F71 M146 C150 T217 T218 V224 Y225 I253 | T67-V221 HydrophobicContact CG2-CB 4.03Å; T67-V221 HydrophobicContact CG2-CG1 4.31Å; T67-V221 HydrophobicContact CG2-CG2 3.54Å; F71-V221 HydrophobicContact CD2-CG2 3.91Å; M146-V221 HydrophobicContact CE-CG1 4.49Å; C150-V221 HydrophobicContact CB-CB 4.36Å; C150-V221 HydrophobicContact CB-CG1 3.72Å; C150-V221 VanDerWaalsContact SG-CB 3.59Å; T217-V221 HydrophobicContact CG2-CG2 4.46Å; T217-V221 WeakPolarHBondContact O-CG2 3.33Å; T217-V221 PolarHBondContact O-N 3.28Å; T218-V221 PolarHBondContact O-N 3.49Å; V221-V224 PolarHBondContact O-N 3Å; V221-Y225 VanDerWaalsContact O-CB 3.3Å; V221-Y225 WeakPolarHBondContact O-CB 3.2Å; V221-Y225 PolarHBondContact O-N 3.5Å; V221-I253 HydrophobicContact CG2-CD1 4.27Å |
| 222 | C | 95.5 | Very high | 91.9 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.3 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | T218 T219 T220 Y225 L226 | T218-C222 WeakPolarHBondContact O-CB 3.11Å; T218-C222 PolarHBondContact O-N 3.17Å; T218-C222 PolarHBondContact O-SG 2.74Å; T219-C222 PolarHBondContact O-N 3.3Å; T220-C222 PolarHBondContact O-N 2.78Å; C222-Y225 PolarHBondContact O-N 2.88Å; C222-L226 VanDerWaalsContact O-CG 3.27Å; C222-L226 WeakPolarHBondContact O-CG 3.39Å; C222-L226 PolarHBondContact O-N 3.18Å |
| 223 | I | 95.3 | Very high | 91.7 | Very high | 95 Ų | 95 | 45.9 Ų | 45.9 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 177 | -70.6 | 164.7 | 0 | 0 | 0 | 110.3 | T219 T220 Y225 L226 I227 | T219-I223 WeakPolarHBondContact O-CB 3.32Å; T219-I223 WeakPolarHBondContact O-CD1 3.4Å; T219-I223 VanDerWaalsContact O-CG1 3.23Å; T219-I223 WeakPolarHBondContact O-CG1 3.35Å; T219-I223 PolarHBondContact O-N 3.07Å; T220-I223 PolarHBondContact O-N 2.72Å; I223-Y225 PolarHBondContact O-N 3.44Å; I223-L226 PolarHBondContact O-N 3.09Å; I223-I227 HydrophobicContact CG2-CD1 3.76Å; I223-I227 HydrophobicContact CG2-CG1 4.46Å; I223-I227 VanDerWaalsContact O-CG1 3.3Å; I223-I227 WeakPolarHBondContact O-CG1 3.44Å; I223-I227 PolarHBondContact O-N 3.2Å |
| 224 | V | 94.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | T67 M146 T220 V221 L226 I227 L228 P245 D246 | T67-V224 HydrophobicContact CG2-CG2 4.34Å; M146-V224 HydrophobicContact CE-CB 4.49Å; M146-V224 HydrophobicContact CE-CG1 3.75Å; T220-V224 HydrophobicContact CG2-CG2 4.45Å; T220-V224 VanDerWaalsContact O-CG2 3.3Å; T220-V224 WeakPolarHBondContact O-CG2 3.17Å; T220-V224 PolarHBondContact O-N 3.03Å; V221-V224 PolarHBondContact O-N 3Å; V224-L226 PolarHBondContact O-N 3.42Å; V224-I227 PolarHBondContact O-N 3.42Å; V224-L228 HydrophobicContact CG1-CD1 3.83Å; V224-L228 HydrophobicContact CG1-CG 4.26Å; V224-L228 VanDerWaalsContact O-CG 3.31Å; V224-L228 WeakPolarHBondContact O-CG 3.49Å; V224-L228 PolarHBondContact O-N 2.93Å; V224-P245 WeakPolarHBondContact CG2-O 3.47Å; V224-D246 HydrophobicContact CG1-CB 4.15Å |
| 225 | Y | 94 | Very high | 90 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 176.3 | 170 | -100.9 | 0 | 0 | 0 | 112.6 | S143 M146 L147 V221 C222 I223 L228 I229 | S143-Y225 WeakPolarHBondContact O-CE2 3.3Å; M146-Y225 HydrophobicContact CB-CD2 4.13Å; L147-Y225 HydrophobicContact CB-CD1 4.19Å; L147-Y225 HydrophobicContact CB-CD2 4.08Å; L147-Y225 HydrophobicContact CB-CE1 3.96Å; L147-Y225 HydrophobicContact CB-CE2 3.81Å; L147-Y225 HydrophobicContact CB-CG 4.23Å; L147-Y225 HydrophobicContact CD1-CD1 4.19Å; L147-Y225 HydrophobicContact CD1-CE1 4.3Å; L147-Y225 HydrophobicContact CD2-CD1 4.4Å; L147-Y225 HydrophobicContact CD2-CE1 3.68Å; L147-Y225 HydrophobicContact CG-CD1 4.49Å; L147-Y225 HydrophobicContact CG-CE1 4.19Å; V221-Y225 VanDerWaalsContact O-CB 3.3Å; V221-Y225 WeakPolarHBondContact O-CB 3.2Å; V221-Y225 PolarHBondContact O-N 3.5Å; C222-Y225 PolarHBondContact O-N 2.88Å; I223-Y225 PolarHBondContact O-N 3.44Å; Y225-L228 PolarHBondContact O-N 2.84Å; Y225-I229 HydrophobicContact CD1-CD1 4.3Å; Y225-I229 HydrophobicContact CD2-CD1 4.13Å; Y225-I229 HydrophobicContact CD2-CG1 4.46Å; Y225-I229 HydrophobicContact CE1-CD1 3.58Å; Y225-I229 HydrophobicContact CE2-CD1 3.4Å; Y225-I229 VanDerWaalsContact CE2-CD1 3.4Å; Y225-I229 HydrophobicContact CE2-CG1 4.11Å; Y225-I229 PolarHBondContact O-N 3.06Å; Y225-I229 WeakPolarHBondContact OH-CD1 3.42Å |
| 226 | L | 93.8 | Very high | 88.6 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 177.2 | -72 | 173.5 | 0 | 0 | 0 | 112.1 | C222 I223 V224 N230 | C222-L226 VanDerWaalsContact O-CG 3.27Å; C222-L226 WeakPolarHBondContact O-CG 3.39Å; C222-L226 PolarHBondContact O-N 3.18Å; I223-L226 PolarHBondContact O-N 3.09Å; V224-L226 PolarHBondContact O-N 3.42Å; L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 3.47Å |
| 227 | I | 92.8 | Very high | 87.1 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | 176.2 | -68.1 | 167.2 | 0 | 0 | 0 | 110 | I223 V224 I229 N230 M231 P245 | I223-I227 HydrophobicContact CG2-CD1 3.76Å; I223-I227 HydrophobicContact CG2-CG1 4.46Å; I223-I227 VanDerWaalsContact O-CG1 3.3Å; I223-I227 WeakPolarHBondContact O-CG1 3.44Å; I223-I227 PolarHBondContact O-N 3.2Å; V224-I227 PolarHBondContact O-N 3.42Å; I227-I229 PolarHBondContact O-N 2.85Å; I227-N230 PolarHBondContact O-N 2.65Å; I227-N230 VanDerWaalsContact O-N 3.15Å; I227-M231 HydrophobicContact CG2-CG 4.28Å; I227-M231 HydrophobicContact CG2-SD 3.86Å; I227-M231 VanDerWaalsContact O-CG 3.32Å; I227-M231 WeakPolarHBondContact O-CG 3.47Å; I227-M231 PolarHBondContact O-N 3.36Å; I227-P245 HydrophobicContact CB-CB 4.49Å; I227-P245 HydrophobicContact CG2-CB 3.89Å; I227-P245 HydrophobicContact CG2-CG 3.72Å |
| 228 | L | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | -179 | -69.3 | 174.3 | 0 | 0 | 0 | 112.5 | I141 M146 V224 Y225 S232 P241 P245 | I141-L228 HydrophobicContact CG2-CD1 4.5Å; M146-L228 HydrophobicContact CE-CD1 4.2Å; M146-L228 HydrophobicContact SD-CD1 3.57Å; M146-L228 VanDerWaalsContact SD-CD1 3.57Å; V224-L228 HydrophobicContact CG1-CD1 3.83Å; V224-L228 HydrophobicContact CG1-CG 4.26Å; V224-L228 VanDerWaalsContact O-CG 3.31Å; V224-L228 WeakPolarHBondContact O-CG 3.49Å; V224-L228 PolarHBondContact O-N 2.93Å; Y225-L228 PolarHBondContact O-N 2.84Å; L228-S232 VanDerWaalsContact O-CB 3.31Å; L228-S232 WeakPolarHBondContact O-CB 3.22Å; L228-S232 PolarHBondContact O-N 3.3Å; L228-P241 HydrophobicContact CD2-CB 4.17Å; L228-P241 HydrophobicContact CD2-CG 4.31Å; L228-P245 HydrophobicContact CD2-CB 4.4Å; L228-P245 HydrophobicContact CD2-CG 4.32Å |
| 229 | I | 89.5 | Confident | 83.9 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 22% | 0.221 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 174.5 | -75.2 | -172.7 | 0 | 0 | 0 | 111.8 | Y225 I227 S232 K233 | Y225-I229 HydrophobicContact CD1-CD1 4.3Å; Y225-I229 HydrophobicContact CD2-CD1 4.13Å; Y225-I229 HydrophobicContact CD2-CG1 4.46Å; Y225-I229 HydrophobicContact CE1-CD1 3.58Å; Y225-I229 HydrophobicContact CE2-CD1 3.4Å; Y225-I229 VanDerWaalsContact CE2-CD1 3.4Å; Y225-I229 HydrophobicContact CE2-CG1 4.11Å; Y225-I229 PolarHBondContact O-N 3.06Å; Y225-I229 WeakPolarHBondContact OH-CD1 3.42Å; I227-I229 PolarHBondContact O-N 2.85Å; I229-S232 PolarHBondContact O-N 3.49Å; I229-K233 HydrophobicContact CG2-CD 4.42Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 2.84Å |
| 230 | N | 88.5 | Confident | 82.6 | Confident | 102 Ų | 102 | 79.3 Ų | 79.3 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 179 | -166.2 | 30 | 0 | 0 | 0 | 110.9 | L226 I227 S232 K233 T234 | L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 3.47Å; I227-N230 PolarHBondContact O-N 2.65Å; I227-N230 VanDerWaalsContact O-N 3.15Å; N230-S232 PolarHBondContact O-N 3.02Å; N230-K233 PolarHBondContact O-N 3.4Å; N230-T234 PolarHBondContact O-N 2.67Å; N230-T234 PolarHBondContact O-OG1 3.19Å |
| 231 | M | 85.7 | Confident | 81.4 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.1 | -68.8 | -175.8 | 74.8 | 0 | 0 | 112.1 | I227 K233 T234 S235 P241 D242 P245 | I227-M231 HydrophobicContact CG2-CG 4.28Å; I227-M231 HydrophobicContact CG2-SD 3.86Å; I227-M231 VanDerWaalsContact O-CG 3.32Å; I227-M231 WeakPolarHBondContact O-CG 3.47Å; I227-M231 PolarHBondContact O-N 3.36Å; M231-K233 VanDerWaalsContact C-N 3.28Å; M231-K233 PolarHBondContact O-N 3.48Å; M231-T234 PolarHBondContact O-N 2.86Å; M231-S235 WeakPolarHBondContact O-CB 3.12Å; M231-S235 PolarHBondContact O-N 2.96Å; M231-P241 HydrophobicContact CB-CB 4.37Å; M231-D242 HydrophobicContact CE-CB 3.74Å; M231-D242 WeakPolarHBondContact CE-OD2 3.33Å; M231-P245 HydrophobicContact SD-CG 4.02Å |
| 232 | S | 82.5 | Confident | 80.7 | Confident | 63 Ų | 63 | 83.8 Ų | 83.8 | 44% | 0.441 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.7 | -36.4 | 175 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | L228 I229 N230 | L228-S232 VanDerWaalsContact O-CB 3.31Å; L228-S232 WeakPolarHBondContact O-CB 3.22Å; L228-S232 PolarHBondContact O-N 3.3Å; I229-S232 PolarHBondContact O-N 3.49Å; N230-S232 PolarHBondContact O-N 3.02Å |
| 233 | K | 82.5 | Confident | 80.4 | Confident | 151 Ų | 151 | 83.1 Ų | 83.1 | 66% | 0.657 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71.8 | -40.4 | 175 | -72.9 | 177.4 | -178.5 | 178.5 | 0 | 112.8 | I229 N230 M231 | I229-K233 HydrophobicContact CG2-CD 4.42Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 2.84Å; N230-K233 PolarHBondContact O-N 3.4Å; M231-K233 VanDerWaalsContact C-N 3.28Å; M231-K233 PolarHBondContact O-N 3.48Å |
| 234 | T | 80.9 | Confident | 80.2 | Confident | 108 Ų | 108 | 83.2 Ų | 83.2 | 66% | 0.663 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.4 | -40.2 | -180 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | N230 M231 Q236 | N230-T234 PolarHBondContact O-N 2.67Å; N230-T234 PolarHBondContact O-OG1 3.19Å; M231-T234 PolarHBondContact O-N 2.86Å; T234-Q236 PolarHBondContact O-N 3.3Å |
| 235 | S | 68.3 | Low | 80.2 | Confident | 40 Ų | 40 | 83.9 Ų | 83.9 | 28% | 0.28 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 53.8 | -173.2 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | M231 H237 I238 | M231-S235 WeakPolarHBondContact O-CB 3.12Å; M231-S235 PolarHBondContact O-N 2.96Å; S235-H237 PolarHBondContact O-N 2.94Å; S235-I238 PolarHBondContact O-N 2.9Å |
| 236 | Q | 61.4 | Low | 80.2 | Confident | 178 Ų | 178 | 81.6 Ų | 81.6 | 83% | 0.832 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -14.2 | 177.9 | -88.1 | -163.8 | -33.2 | 0 | 0 | 115.1 | T234 | T234-Q236 PolarHBondContact O-N 3.3Š|
| 237 | H | 59.1 | Low | 80.3 | Confident | 188 Ų | 188 | 76.4 Ų | 76.4 | 87% | 0.87 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -6 | 176.9 | -92.4 | -68.7 | 0 | 0 | 0 | 115.8 | S235 | S235-H237 PolarHBondContact O-N 2.94Š|
| 238 | I | 63 | Low | 80.4 | Confident | 105 Ų | 105 | 77 Ų | 77 | 54% | 0.538 | 40% | 0.4 | S | S | . | . | trans | -115.3 | 113.9 | 178.9 | -53.4 | 178.8 | 0 | 0 | 0 | 107.5 | S235 F240 | S235-I238 PolarHBondContact O-N 2.9Å; I238-F240 WeakPolarHBondContact CG2-O 3.2Å; I238-F240 PolarHBondContact O-N 3.3Å; I238-F240 VanDerWaalsContact O-N 3.08Å | ||
| 239 | N | 59.7 | Low | 80.6 | Confident | 148 Ų | 148 | 77 Ų | 77 | 79% | 0.791 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -63 | -16 | -174.1 | -76 | -26.8 | 0 | 0 | 0 | 114 | ||
| 240 | F | 65.3 | Low | 80.9 | Confident | 102 Ų | 102 | 75 Ų | 75 | 45% | 0.447 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -130.9 | 125 | -177.9 | -60 | -74.6 | 0 | 0 | 0 | 110.3 | E140 I238 | E140-F240 HydrophobicContact CB-CD1 4.46Å; E140-F240 HydrophobicContact CG-CD1 4.43Å; I238-F240 WeakPolarHBondContact CG2-O 3.2Å; I238-F240 PolarHBondContact O-N 3.3Å; I238-F240 VanDerWaalsContact O-N 3.08Å |
| 241 | P | 70.6 | Confident | 81.2 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | trans | -64.4 | 146 | 172.4 | 27.3 | -31.8 | 0 | 0 | 0 | 109.9 | L228 M231 | L228-P241 HydrophobicContact CD2-CB 4.17Å; L228-P241 HydrophobicContact CD2-CG 4.31Å; M231-P241 HydrophobicContact CB-CB 4.37Å | ||
| 242 | D | 81.3 | Confident | 81.7 | Confident | 91 Ų | 91 | 74 Ų | 74 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | trans | -54.7 | 130.2 | 177 | -60.5 | -37.3 | 0 | 0 | 0 | 109.9 | M231 L244 P245 | M231-D242 HydrophobicContact CE-CB 3.74Å; M231-D242 WeakPolarHBondContact CE-OD2 3.33Å; D242-L244 VanDerWaalsContact C-N 3.27Å; D242-L244 PolarHBondContact O-N 3.25Å; D242-P245 WeakPolarHBondContact O-CD 3.31Å | ||
| 243 | P | 88.3 | Confident | 82.3 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 14% | 0.143 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -81.4 | -6.1 | -174.3 | 31.5 | -36 | 0 | 0 | 0 | 113.7 | P138 A139 I141 P245 D246 T247 | P138-P243 HydrophobicContact CB-CG 3.51Å; A139-P243 WeakPolarHBondContact O-CB 3.31Å; A139-P243 WeakPolarHBondContact O-CG 3.29Å; I141-P243 HydrophobicContact CD1-CB 3.41Å; I141-P243 VanDerWaalsContact CD1-CB 3.41Å; I141-P243 HydrophobicContact CG1-CB 4.01Å; P243-P245 VanDerWaalsContact C-N 3.35Å; P243-D246 PolarHBondContact O-N 3.37Å; P243-T247 PolarHBondContact O-N 2.69Å |
| 244 | L | 91.8 | Very high | 82.9 | Confident | 97 Ų | 97 | 64 Ų | 64 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -51.2 | -43.2 | -179.1 | -175.1 | 70.2 | 0 | 0 | 0 | 113.8 | D242 D246 T247 L248 | D242-L244 VanDerWaalsContact C-N 3.27Å; D242-L244 PolarHBondContact O-N 3.25Å; L244-D246 VanDerWaalsContact C-N 3.29Å; L244-D246 PolarHBondContact O-N 3.43Å; L244-T247 PolarHBondContact O-N 3.04Å; L244-L248 HydrophobicContact CD1-CG 4.41Å; L244-L248 HydrophobicContact CG-CD1 4.1Å; L244-L248 HydrophobicContact CG-CG 4.38Å; L244-L248 WeakPolarHBondContact O-CG 3.16Å; L244-L248 PolarHBondContact O-N 2.92Å |
| 245 | P | 93.5 | Very high | 83.5 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 13% | 0.13 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -36.1 | 178 | -23.5 | 35.9 | 0 | 0 | 0 | 113.5 | V224 I227 L228 M231 D242 P243 G249 | V224-P245 WeakPolarHBondContact CG2-O 3.47Å; I227-P245 HydrophobicContact CB-CB 4.49Å; I227-P245 HydrophobicContact CG2-CB 3.89Å; I227-P245 HydrophobicContact CG2-CG 3.72Å; L228-P245 HydrophobicContact CD2-CB 4.4Å; L228-P245 HydrophobicContact CD2-CG 4.32Å; M231-P245 HydrophobicContact SD-CG 4.02Å; D242-P245 WeakPolarHBondContact O-CD 3.31Å; P243-P245 VanDerWaalsContact C-N 3.35Å; P245-G249 PolarHBondContact O-N 3.16Å |
| 246 | D | 94.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.4 | -40.8 | 177.7 | 176.9 | 74.6 | 0 | 0 | 0 | 112 | S65 L66 T67 R134 I141 V224 P243 L244 L248 G249 G250 | S65-D246 WeakPolarHBondContact CB-OD1 3.4Å; S65-D246 PolarHBondContact OG-OD1 3.47Å; L66-D246 WeakPolarHBondContact CB-OD2 3.42Å; L66-D246 PolarHBondContact N-OD1 3.06Å; L66-D246 PolarHBondContact N-OD2 3.2Å; T67-D246 WeakPolarHBondContact CB-OD1 3.24Å; T67-D246 PolarHBondContact N-OD1 2.84Å; T67-D246 PolarHBondContact OG1-O 3.45Å; T67-D246 PolarHBondContact OG1-OD1 3.19Å; T67-D246 VanDerWaalsContact OG1-OD1 3.1Å; R134-D246 IonicContact NH1-OD2 3.82Å; I141-D246 HydrophobicContact CD1-CB 3.34Å; I141-D246 WeakPolarHBondContact CD1-OD2 3.37Å; V224-D246 HydrophobicContact CG1-CB 4.15Å; P243-D246 PolarHBondContact O-N 3.37Å; L244-D246 VanDerWaalsContact C-N 3.29Å; L244-D246 PolarHBondContact O-N 3.43Å; D246-L248 VanDerWaalsContact C-N 3.33Å; D246-L248 PolarHBondContact O-N 3.38Å; D246-G249 PolarHBondContact O-N 3.08Å; D246-G250 PolarHBondContact O-N 3.32Å |
| 247 | T | 95.4 | Very high | 86.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.4 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | A131 R134 I135 P243 L244 G249 G250 M251 | A131-T247 HydrophobicContact CB-CG2 4.08Å; A131-T247 WeakPolarHBondContact O-CG2 3.44Å; R134-T247 HydrophobicContact CB-CG2 4.14Å; I135-T247 HydrophobicContact CG1-CG2 3.89Å; P243-T247 PolarHBondContact O-N 2.69Å; L244-T247 PolarHBondContact O-N 3.04Å; T247-G249 VanDerWaalsContact C-N 3.35Å; T247-G249 PolarHBondContact O-N 3.39Å; T247-G250 PolarHBondContact O-N 2.94Å; T247-M251 WeakPolarHBondContact O-CG 2.99Å; T247-M251 PolarHBondContact O-N 2.92Å |
| 248 | L | 95.5 | Very high | 87.7 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 175.8 | -68.6 | 176.2 | 0 | 0 | 0 | 112.1 | L244 D246 M251 I252 | L244-L248 HydrophobicContact CD1-CG 4.41Å; L244-L248 HydrophobicContact CG-CD1 4.1Å; L244-L248 HydrophobicContact CG-CG 4.38Å; L244-L248 WeakPolarHBondContact O-CG 3.16Å; L244-L248 PolarHBondContact O-N 2.92Å; D246-L248 VanDerWaalsContact C-N 3.33Å; D246-L248 PolarHBondContact O-N 3.38Å; L248-M251 PolarHBondContact O-N 3.39Å; L248-I252 VanDerWaalsContact O-CG1 3.26Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 2.62Å |
| 249 | G | 95.4 | Very high | 89 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T67 P245 D246 T247 I252 I253 | T67-G249 WeakPolarHBondContact OG1-CA 3.26Å; P245-G249 PolarHBondContact O-N 3.16Å; D246-G249 PolarHBondContact O-N 3.08Å; T247-G249 VanDerWaalsContact C-N 3.35Å; T247-G249 PolarHBondContact O-N 3.39Å; G249-I252 PolarHBondContact O-N 2.87Å; G249-I253 WeakPolarHBondContact O-CG1 3.42Å; G249-I253 PolarHBondContact O-N 3.31Å |
| 250 | G | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T67 D246 T247 I252 I253 S254 | T67-G250 PolarHBondContact OG1-N 2.82Å; D246-G250 PolarHBondContact O-N 3.32Å; T247-G250 PolarHBondContact O-N 2.94Å; G250-I252 VanDerWaalsContact C-N 3.29Å; G250-I252 PolarHBondContact O-N 3.36Å; G250-I253 PolarHBondContact O-N 2.76Å; G250-S254 WeakPolarHBondContact O-CB 3.34Å; G250-S254 PolarHBondContact O-N 2.67Å; G250-S254 PolarHBondContact O-OG 2.99Å |
| 251 | M | 95.5 | Very high | 91.7 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 25% | 0.246 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | 175.4 | -72.5 | -172.6 | 64.4 | 0 | 0 | 113.1 | A131 I135 T247 L248 S254 L255 | A131-M251 HydrophobicContact CB-CG 3.4Å; A131-M251 VanDerWaalsContact CB-CG 3.4Å; A131-M251 HydrophobicContact CB-SD 4.29Å; I135-M251 HydrophobicContact CD1-SD 4.23Å; T247-M251 WeakPolarHBondContact O-CG 2.99Å; T247-M251 PolarHBondContact O-N 2.92Å; L248-M251 PolarHBondContact O-N 3.39Å; M251-S254 WeakPolarHBondContact CA-OG 3.32Å; M251-S254 PolarHBondContact O-OG 3.35Å; M251-L255 WeakPolarHBondContact O-CB 3.41Å; M251-L255 VanDerWaalsContact O-CG 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.31Å; M251-L255 PolarHBondContact O-N 2.99Å |
| 252 | I | 94.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 42% | 0.415 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.2 | -48.2 | 178.1 | -70.3 | 164.5 | 0 | 0 | 0 | 110 | T220 L248 G249 G250 L255 M256 | T220-I252 HydrophobicContact CG2-CB 4.43Å; T220-I252 HydrophobicContact CG2-CG2 4.37Å; L248-I252 VanDerWaalsContact O-CG1 3.26Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 2.62Å; G249-I252 PolarHBondContact O-N 2.87Å; G250-I252 VanDerWaalsContact C-N 3.29Å; G250-I252 PolarHBondContact O-N 3.36Å; I252-L255 PolarHBondContact O-N 2.73Å; I252-M256 HydrophobicContact CG2-SD 3.71Å; I252-M256 WeakPolarHBondContact O-CB 3.33Å; I252-M256 WeakPolarHBondContact O-CG 3.44Å; I252-M256 PolarHBondContact O-N 3.03Å |
| 253 | I | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | -178.3 | -65.3 | 161.2 | 0 | 0 | 0 | 111 | T67 A70 T217 T220 V221 G249 G250 L255 M256 L257 | T67-I253 HydrophobicContact CG2-CD1 3.7Å; A70-I253 HydrophobicContact CB-CB 3.79Å; A70-I253 HydrophobicContact CB-CD1 3.82Å; A70-I253 HydrophobicContact CB-CG1 4.42Å; A70-I253 HydrophobicContact CB-CG2 3.56Å; T217-I253 HydrophobicContact CG2-CD1 3.83Å; T217-I253 HydrophobicContact CG2-CG1 4.09Å; T217-I253 HydrophobicContact CG2-CG2 3.98Å; T220-I253 HydrophobicContact CG2-CD1 4.13Å; T220-I253 HydrophobicContact CG2-CG1 4.08Å; V221-I253 HydrophobicContact CG2-CD1 4.27Å; G249-I253 WeakPolarHBondContact O-CG1 3.42Å; G249-I253 PolarHBondContact O-N 3.31Å; G250-I253 PolarHBondContact O-N 2.76Å; I253-L255 PolarHBondContact O-N 3.06Å; I253-M256 PolarHBondContact O-N 3.43Å; I253-L257 WeakPolarHBondContact O-CB 3.16Å; I253-L257 PolarHBondContact O-N 3.49Å |
| 254 | S | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 178.4 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | E127 I128 G250 M251 M256 L257 F258 | E127-S254 WeakPolarHBondContact OE1-CB 3.33Å; I128-S254 VanDerWaalsContact CG1-OG 3.31Å; I128-S254 WeakPolarHBondContact CG1-OG 3.48Å; G250-S254 WeakPolarHBondContact O-CB 3.34Å; G250-S254 PolarHBondContact O-N 2.67Å; G250-S254 PolarHBondContact O-OG 2.99Å; M251-S254 WeakPolarHBondContact CA-OG 3.32Å; M251-S254 PolarHBondContact O-OG 3.35Å; S254-M256 VanDerWaalsContact C-N 3.31Å; S254-M256 PolarHBondContact O-N 3.41Å; S254-L257 PolarHBondContact O-N 2.98Å; S254-F258 WeakPolarHBondContact O-CB 3.16Å; S254-F258 PolarHBondContact O-N 3.47Å |
| 255 | L | 93.5 | Very high | 93.3 | Very high | 97 Ų | 97 | 29 Ų | 29 | 51% | 0.508 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63 | -38.1 | 174.8 | -74 | 173.5 | 0 | 0 | 0 | 112.1 | I128 M251 I252 I253 G259 | I128-L255 HydrophobicContact CD1-CD2 4.15Å; M251-L255 WeakPolarHBondContact O-CB 3.41Å; M251-L255 VanDerWaalsContact O-CG 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.31Å; M251-L255 PolarHBondContact O-N 2.99Å; I252-L255 PolarHBondContact O-N 2.73Å; I253-L255 PolarHBondContact O-N 3.06Å; L255-G259 PolarHBondContact O-N 3.44Å |
| 256 | M | 91.3 | Very high | 93.2 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 18% | 0.177 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | 176.2 | -69.4 | 176.6 | 79.1 | 0 | 0 | 111.9 | L181 T216 I252 I253 S254 G259 T260 | L181-M256 HydrophobicContact CD1-CB 4.09Å; L181-M256 HydrophobicContact CD1-CE 3.5Å; L181-M256 VanDerWaalsContact CD1-CE 3.5Å; L181-M256 HydrophobicContact CD1-CG 4.34Å; L181-M256 HydrophobicContact CD2-CE 4.32Å; L181-M256 HydrophobicContact CG-CE 4Å; T216-M256 HydrophobicContact CG2-CE 3.55Å; T216-M256 VanDerWaalsContact OG1-CE 3.25Å; T216-M256 WeakPolarHBondContact OG1-CE 3.47Å; I252-M256 HydrophobicContact CG2-SD 3.71Å; I252-M256 WeakPolarHBondContact O-CB 3.33Å; I252-M256 WeakPolarHBondContact O-CG 3.44Å; I252-M256 PolarHBondContact O-N 3.03Å; I253-M256 PolarHBondContact O-N 3.43Å; S254-M256 VanDerWaalsContact C-N 3.31Å; S254-M256 PolarHBondContact O-N 3.41Å; M256-G259 PolarHBondContact O-N 3.33Å; M256-T260 WeakPolarHBondContact O-CB 3.28Å; M256-T260 PolarHBondContact O-N 3.16Å; M256-T260 PolarHBondContact O-OG1 3.43Å |
| 257 | L | 92.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -50.3 | 173.8 | -176.8 | 60.8 | 0 | 0 | 0 | 110.8 | A120 I213 I253 S254 G259 T260 M261 | A120-L257 HydrophobicContact CB-CD1 4.44Å; I213-L257 HydrophobicContact CD1-CB 4.49Å; I213-L257 HydrophobicContact CD1-CD1 4.02Å; I253-L257 WeakPolarHBondContact O-CB 3.16Å; I253-L257 PolarHBondContact O-N 3.49Å; S254-L257 PolarHBondContact O-N 2.98Å; L257-G259 PolarHBondContact O-N 3.3Å; L257-T260 PolarHBondContact O-N 2.86Å; L257-M261 HydrophobicContact CD1-CE 3.95Å; L257-M261 HydrophobicContact CD1-CG 3.83Å; L257-M261 HydrophobicContact CG-CG 4.34Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.36Å; L257-M261 PolarHBondContact O-N 2.97Å |
| 258 | F | 93.1 | Very high | 92.7 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 25% | 0.254 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.4 | -52.8 | 176.9 | 179.2 | -90.9 | 0 | 0 | 0 | 112.2 | I121 F125 S254 T260 M261 M262 | I121-F258 HydrophobicContact CG2-CD2 4.08Å; I121-F258 HydrophobicContact CG2-CE2 4.1Å; F125-F258 HydrophobicContact CD2-CE2 4.46Å; F125-F258 HydrophobicContact CE1-CE2 4.2Å; F125-F258 HydrophobicContact CE2-CD2 4.07Å; F125-F258 AromaticContact CE2-CE2 3.54Å; F125-F258 HydrophobicContact CE2-CE2 3.54Å; F125-F258 HydrophobicContact CZ-CD2 4.12Å; F125-F258 AromaticContact CZ-CE2 3.38Å; F125-F258 HydrophobicContact CZ-CE2 3.38Å; F125-F258 HydrophobicContact CZ-CZ 4.17Å; S254-F258 WeakPolarHBondContact O-CB 3.16Å; S254-F258 PolarHBondContact O-N 3.47Å; F258-T260 PolarHBondContact O-N 3.03Å; F258-M261 PolarHBondContact O-N 2.83Å; F258-M262 HydrophobicContact CD1-CG 4.08Å; F258-M262 HydrophobicContact CD2-CE 3.99Å; F258-M262 HydrophobicContact CD2-CG 4.29Å; F258-M262 HydrophobicContact CE1-CE 4.29Å; F258-M262 HydrophobicContact CE1-CG 3.74Å; F258-M262 HydrophobicContact CE2-CE 3.09Å; F258-M262 HydrophobicContact CE2-CG 3.97Å; F258-M262 HydrophobicContact CE2-SD 4.35Å; F258-M262 HydrophobicContact CG-CG 4.34Å; F258-M262 HydrophobicContact CZ-CE 3.29Å; F258-M262 HydrophobicContact CZ-CG 3.69Å; F258-M262 HydrophobicContact CZ-SD 4.19Å; F258-M262 WeakPolarHBondContact O-CB 3.33Å; F258-M262 WeakPolarHBondContact O-CG 3.46Å; F258-M262 PolarHBondContact O-N 3.04Å |
| 259 | G | 89.1 | Confident | 92.6 | Very high | 33 Ų | 33 | 30.8 Ų | 30.8 | 34% | 0.34 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.9 | -29.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L255 M256 L257 P263 | L255-G259 PolarHBondContact O-N 3.44Å; M256-G259 PolarHBondContact O-N 3.33Å; L257-G259 PolarHBondContact O-N 3.3Å; G259-P263 WeakPolarHBondContact O-CD 3.5Å |
| 260 | T | 89.1 | Confident | 92.4 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -82.1 | -39.3 | 176.9 | -53.1 | 0 | 0 | 0 | 0 | 112 | P209 I213 M256 L257 F258 P263 M264 | P209-T260 HydrophobicContact CB-CG2 4.19Å; I213-T260 HydrophobicContact CD1-CG2 3.93Å; I213-T260 WeakPolarHBondContact CD1-OG1 3.38Å; M256-T260 WeakPolarHBondContact O-CB 3.28Å; M256-T260 PolarHBondContact O-N 3.16Å; M256-T260 PolarHBondContact O-OG1 3.43Å; L257-T260 PolarHBondContact O-N 2.86Å; F258-T260 PolarHBondContact O-N 3.03Å; T260-P263 WeakPolarHBondContact O-CD 2.89Å; T260-P263 WeakPolarHBondContact O-CG 3.32Å; T260-M264 VanDerWaalsContact O-CG 3.32Å; T260-M264 WeakPolarHBondContact O-CG 3.29Å |
| 261 | M | 93 | Very high | 92 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -78.6 | -30.9 | -176.3 | -65 | -59.1 | 141 | 0 | 0 | 113.2 | F77 T117 A120 I121 I213 L257 F258 M264 M265 | F77-M261 HydrophobicContact CD1-CE 4.03Å; F77-M261 HydrophobicContact CD2-CE 4.46Å; F77-M261 HydrophobicContact CD2-SD 4.17Å; F77-M261 HydrophobicContact CE1-CE 3.49Å; F77-M261 VanDerWaalsContact CE1-CE 3.49Å; F77-M261 HydrophobicContact CE1-SD 4.19Å; F77-M261 HydrophobicContact CE2-CE 3.97Å; F77-M261 HydrophobicContact CE2-SD 3.52Å; F77-M261 VanDerWaalsContact CE2-SD 3.52Å; F77-M261 HydrophobicContact CG-CE 4.47Å; F77-M261 HydrophobicContact CZ-CE 3.45Å; F77-M261 VanDerWaalsContact CZ-CE 3.45Å; F77-M261 HydrophobicContact CZ-SD 3.53Å; F77-M261 VanDerWaalsContact CZ-SD 3.53Å; T117-M261 HydrophobicContact CG2-SD 4.17Å; A120-M261 HydrophobicContact CB-CG 3.77Å; A120-M261 HydrophobicContact CB-SD 4.21Å; I121-M261 HydrophobicContact CD1-CB 4.14Å; I121-M261 HydrophobicContact CG1-CB 3.67Å; I213-M261 HydrophobicContact CD1-CE 4.38Å; L257-M261 HydrophobicContact CD1-CE 3.95Å; L257-M261 HydrophobicContact CD1-CG 3.83Å; L257-M261 HydrophobicContact CG-CG 4.34Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.36Å; L257-M261 PolarHBondContact O-N 2.97Å; F258-M261 PolarHBondContact O-N 2.83Å; M261-M264 WeakPolarHBondContact O-CB 3.31Å; M261-M264 PolarHBondContact O-N 3.39Å; M261-M265 WeakPolarHBondContact O-CB 3.37Å; M261-M265 PolarHBondContact O-N 2.74Å |
| 262 | M | 91.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.3 | -53.5 | 178.2 | -84.6 | -65.7 | 175.3 | 0 | 0 | 114.8 | I121 F258 M264 M265 L266 | I121-M262 HydrophobicContact CD1-CE 3.89Å; I121-M262 HydrophobicContact CD1-CG 4.17Å; I121-M262 HydrophobicContact CD1-SD 3.77Å; I121-M262 HydrophobicContact CG1-CE 4.27Å; I121-M262 HydrophobicContact CG2-CE 3.61Å; F258-M262 HydrophobicContact CD1-CG 4.08Å; F258-M262 HydrophobicContact CD2-CE 3.99Å; F258-M262 HydrophobicContact CD2-CG 4.29Å; F258-M262 HydrophobicContact CE1-CE 4.29Å; F258-M262 HydrophobicContact CE1-CG 3.74Å; F258-M262 HydrophobicContact CE2-CE 3.09Å; F258-M262 HydrophobicContact CE2-CG 3.97Å; F258-M262 HydrophobicContact CE2-SD 4.35Å; F258-M262 HydrophobicContact CG-CG 4.34Å; F258-M262 HydrophobicContact CZ-CE 3.29Å; F258-M262 HydrophobicContact CZ-CG 3.69Å; F258-M262 HydrophobicContact CZ-SD 4.19Å; F258-M262 WeakPolarHBondContact O-CB 3.33Å; F258-M262 WeakPolarHBondContact O-CG 3.46Å; F258-M262 PolarHBondContact O-N 3.04Å; M262-M264 VanDerWaalsContact C-N 3.29Å; M262-M264 PolarHBondContact O-N 3.38Å; M262-M265 HydrophobicContact CE-CE 4.25Å; M262-M265 PolarHBondContact O-N 3.44Å; M262-M265 HydrophobicContact SD-CE 3.45Å; M262-M265 WeakPolarHBondContact SD-CE 3.5Å; M262-L266 WeakPolarHBondContact O-CG 3.34Å; M262-L266 PolarHBondContact O-N 3.21Å |
| 263 | P | 89.7 | Confident | 91.6 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.6 | -36.7 | 177.8 | 23 | -33.1 | 0 | 0 | 0 | 112.5 | G259 T260 L266 Y267 | G259-P263 WeakPolarHBondContact O-CD 3.5Å; T260-P263 WeakPolarHBondContact O-CD 2.89Å; T260-P263 WeakPolarHBondContact O-CG 3.32Å; P263-L266 PolarHBondContact O-N 3.21Å; P263-Y267 WeakPolarHBondContact O-CB 3.39Å; P263-Y267 PolarHBondContact O-N 3.06Å |
| 264 | M | 91.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 178.1 | -58.8 | -70 | -71.4 | 0 | 0 | 111.8 | T117 F169 V172 I173 C176 T260 M261 M262 S268 | T117-M264 HydrophobicContact CG2-CB 3.83Å; F169-M264 HydrophobicContact CD1-CE 3.77Å; F169-M264 HydrophobicContact CE1-CE 4.24Å; V172-M264 HydrophobicContact CB-CE 3.64Å; V172-M264 HydrophobicContact CB-SD 4.41Å; V172-M264 HydrophobicContact CG1-CB 4.04Å; V172-M264 HydrophobicContact CG1-CE 3.27Å; V172-M264 HydrophobicContact CG1-CG 4.43Å; V172-M264 HydrophobicContact CG1-SD 3.57Å; V172-M264 VanDerWaalsContact CG1-SD 3.57Å; I173-M264 HydrophobicContact CB-CE 4.4Å; I173-M264 HydrophobicContact CG1-CE 3.53Å; I173-M264 HydrophobicContact CG1-SD 4.26Å; C176-M264 HydrophobicContact CB-SD 3.76Å; C176-M264 VanDerWaalsContact SG-SD 3.68Å; T260-M264 VanDerWaalsContact O-CG 3.32Å; T260-M264 WeakPolarHBondContact O-CG 3.29Å; M261-M264 WeakPolarHBondContact O-CB 3.31Å; M261-M264 PolarHBondContact O-N 3.39Å; M262-M264 VanDerWaalsContact C-N 3.29Å; M262-M264 PolarHBondContact O-N 3.38Å; M264-S268 PolarHBondContact O-N 3.05Å; M264-S268 VanDerWaalsContact O-N 3.08Å; M264-S268 PolarHBondContact O-OG 3.04Å |
| 265 | M | 93.5 | Very high | 90.9 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 17% | 0.167 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | 173.6 | 178.1 | -166.3 | 70 | 0 | 0 | 111.1 | F114 T117 I118 I121 M261 M262 Y267 S268 G269 | F114-M265 HydrophobicContact CD2-CG 4.02Å; F114-M265 HydrophobicContact CE2-CG 3.73Å; T117-M265 WeakPolarHBondContact OG1-CA 3.46Å; I118-M265 HydrophobicContact CD1-SD 4.42Å; I118-M265 HydrophobicContact CG1-CG 3.85Å; I118-M265 HydrophobicContact CG1-SD 3.62Å; I121-M265 HydrophobicContact CD1-CB 3.9Å; I121-M265 HydrophobicContact CD1-CE 4.03Å; I121-M265 HydrophobicContact CD1-CG 4.24Å; I121-M265 HydrophobicContact CD1-SD 3.47Å; I121-M265 WeakPolarHBondContact CD1-SD 3.46Å; M261-M265 WeakPolarHBondContact O-CB 3.37Å; M261-M265 PolarHBondContact O-N 2.74Å; M262-M265 HydrophobicContact CE-CE 4.25Å; M262-M265 PolarHBondContact O-N 3.44Å; M262-M265 HydrophobicContact SD-CE 3.45Å; M262-M265 WeakPolarHBondContact SD-CE 3.5Å; M265-Y267 VanDerWaalsContact C-N 3.33Å; M265-Y267 PolarHBondContact O-N 2.57Å; M265-S268 WeakPolarHBondContact CA-OG 3.46Å; M265-S268 PolarHBondContact O-N 3.29Å; M265-S268 PolarHBondContact O-OG 3.42Å; M265-S268 VanDerWaalsContact O-OG 3.04Å; M265-G269 PolarHBondContact O-N 2.91Å |
| 266 | L | 91.3 | Very high | 90.5 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | -179.1 | -71.2 | 172.7 | 0 | 0 | 0 | 112 | M262 P263 R270 | M262-L266 WeakPolarHBondContact O-CG 3.34Å; M262-L266 PolarHBondContact O-N 3.21Å; P263-L266 PolarHBondContact O-N 3.21Å; L266-R270 VanDerWaalsContact O-CG 3.3Å; L266-R270 WeakPolarHBondContact O-CG 3.31Å; L266-R270 PolarHBondContact O-N 2.95Å |
| 267 | Y | 89.8 | Confident | 89.9 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -49 | 177.1 | -178.9 | -94.9 | 0 | 0 | 0 | 112.4 | V172 A175 C176 P263 M265 G269 R270 I271 | V172-Y267 HydrophobicContact CB-CD1 4.27Å; V172-Y267 HydrophobicContact CG1-CD1 3.87Å; V172-Y267 HydrophobicContact CG2-CD1 4Å; V172-Y267 HydrophobicContact CG2-CE1 4.21Å; A175-Y267 HydrophobicContact CB-CD1 4.34Å; A175-Y267 HydrophobicContact CB-CD2 4.07Å; A175-Y267 HydrophobicContact CB-CE1 3.68Å; A175-Y267 HydrophobicContact CB-CE2 3.41Å; A175-Y267 VanDerWaalsContact CB-CE2 3.41Å; A175-Y267 HydrophobicContact CB-CG 4.49Å; A175-Y267 VanDerWaalsContact CB-OH 3.31Å; A175-Y267 WeakPolarHBondContact CB-OH 3.15Å; C176-Y267 WeakPolarHBondContact SG-CB 3.19Å; P263-Y267 WeakPolarHBondContact O-CB 3.39Å; P263-Y267 PolarHBondContact O-N 3.06Å; M265-Y267 VanDerWaalsContact C-N 3.33Å; M265-Y267 PolarHBondContact O-N 2.57Å; Y267-G269 VanDerWaalsContact C-N 3.3Å; Y267-G269 PolarHBondContact O-N 3.12Å; Y267-R270 WeakPolarHBondContact O-CB 3.36Å; Y267-R270 PolarHBondContact O-N 3.4Å; Y267-I271 HydrophobicContact CD1-CD1 3.96Å; Y267-I271 HydrophobicContact CE1-CD1 3.4Å; Y267-I271 HydrophobicContact CE1-CG1 4.33Å; Y267-I271 PolarHBondContact O-N 3.42Å |
| 268 | S | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 176.1 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | M264 M265 R270 I271 L272 | M264-S268 PolarHBondContact O-N 3.05Å; M264-S268 VanDerWaalsContact O-N 3.08Å; M264-S268 PolarHBondContact O-OG 3.04Å; M265-S268 WeakPolarHBondContact CA-OG 3.46Å; M265-S268 PolarHBondContact O-N 3.29Å; M265-S268 PolarHBondContact O-OG 3.42Å; M265-S268 VanDerWaalsContact O-OG 3.04Å; S268-R270 PolarHBondContact O-N 3.21Å; S268-I271 PolarHBondContact O-N 2.78Å; S268-L272 WeakPolarHBondContact O-CG 3.1Å; S268-L272 PolarHBondContact O-N 3.03Å |
| 269 | G | 92.5 | Very high | 88.7 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M265 Y267 I271 L272 L273 | M265-G269 PolarHBondContact O-N 2.91Å; Y267-G269 VanDerWaalsContact C-N 3.3Å; Y267-G269 PolarHBondContact O-N 3.12Å; G269-I271 VanDerWaalsContact C-N 3.34Å; G269-I271 PolarHBondContact O-N 3.24Å; G269-L272 PolarHBondContact O-N 3.36Å; G269-L273 WeakPolarHBondContact O-CG 3.25Å; G269-L273 PolarHBondContact O-N 2.97Å |
| 270 | R | 90.1 | Very high | 88.4 | Confident | 155 Ų | 155 | 51.3 Ų | 51.3 | 59% | 0.585 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 174.3 | -77.6 | 175.2 | -175 | 177.7 | 2.5 | 112.5 | L266 Y267 S268 L272 L273 T275 | L266-R270 VanDerWaalsContact O-CG 3.3Å; L266-R270 WeakPolarHBondContact O-CG 3.31Å; L266-R270 PolarHBondContact O-N 2.95Å; Y267-R270 WeakPolarHBondContact O-CB 3.36Å; Y267-R270 PolarHBondContact O-N 3.4Å; S268-R270 PolarHBondContact O-N 3.21Å; R270-L272 VanDerWaalsContact C-N 3.34Å; R270-L273 PolarHBondContact O-N 3.37Å; R270-T275 VanDerWaalsContact C-OG1 3.25Å; R270-T275 WeakPolarHBondContact O-CB 3.43Å; R270-T275 PolarHBondContact O-N 2.88Å; R270-T275 PolarHBondContact O-OG1 2.89Å |
| 271 | I | 88.4 | Confident | 88.3 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.3 | -66.8 | 169.6 | 0 | 0 | 0 | 110.5 | V110 Y267 S268 G269 L273 Q274 Y310 | V110-I271 HydrophobicContact CB-CG2 4.35Å; V110-I271 HydrophobicContact CG1-CB 3.85Å; V110-I271 HydrophobicContact CG1-CG2 3.65Å; V110-I271 HydrophobicContact CG2-CG2 3.86Å; Y267-I271 HydrophobicContact CD1-CD1 3.96Å; Y267-I271 HydrophobicContact CE1-CD1 3.4Å; Y267-I271 HydrophobicContact CE1-CG1 4.33Å; Y267-I271 PolarHBondContact O-N 3.42Å; S268-I271 PolarHBondContact O-N 2.78Å; G269-I271 VanDerWaalsContact C-N 3.34Å; G269-I271 PolarHBondContact O-N 3.24Å; I271-L273 VanDerWaalsContact C-N 3.26Å; I271-L273 PolarHBondContact O-N 3.5Å; I271-Q274 PolarHBondContact O-N 3.18Å; I271-Y310 HydrophobicContact CD1-CD1 3.98Å; I271-Y310 HydrophobicContact CD1-CE1 3.83Å |
| 272 | L | 91.6 | Very high | 88.1 | Confident | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.1 | -31.1 | 177 | -66.7 | 175.8 | 0 | 0 | 0 | 113 | V110 V111 F114 S268 G269 R270 Q274 | V110-L272 HydrophobicContact CB-CD2 4.07Å; V110-L272 HydrophobicContact CG1-CD2 3.74Å; V110-L272 HydrophobicContact CG1-CG 3.79Å; V111-L272 HydrophobicContact CG2-CD2 3.66Å; F114-L272 HydrophobicContact CB-CD1 3.74Å; F114-L272 HydrophobicContact CD1-CD1 3.62Å; F114-L272 HydrophobicContact CD2-CD1 4.25Å; F114-L272 HydrophobicContact CE1-CD1 4.23Å; F114-L272 HydrophobicContact CG-CD1 3.61Å; S268-L272 WeakPolarHBondContact O-CG 3.1Å; S268-L272 PolarHBondContact O-N 3.03Å; G269-L272 PolarHBondContact O-N 3.36Å; R270-L272 VanDerWaalsContact C-N 3.34Å; L272-Q274 PolarHBondContact O-N 3.31Å; L272-Q274 VanDerWaalsContact O-N 3.15Å |
| 273 | L | 91.1 | Very high | 88 | Confident | 135 Ų | 135 | 58.6 Ų | 58.6 | 71% | 0.707 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 11 | 172.9 | -69 | 173.3 | 0 | 0 | 0 | 113.8 | G269 R270 I271 T275 | G269-L273 WeakPolarHBondContact O-CG 3.25Å; G269-L273 PolarHBondContact O-N 2.97Å; R270-L273 PolarHBondContact O-N 3.37Å; I271-L273 VanDerWaalsContact C-N 3.26Å; I271-L273 PolarHBondContact O-N 3.5Å; L273-T275 HydrophobicContact CB-CG2 4.15Å; L273-T275 PolarHBondContact O-N 3.24Å |
| 274 | Q | 89.2 | Confident | 88.1 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 32.1 | 177.6 | -54.3 | -176.6 | -6.8 | 0 | 0 | 113.2 | I271 L272 W306 | I271-Q274 PolarHBondContact O-N 3.18Å; L272-Q274 PolarHBondContact O-N 3.31Å; L272-Q274 VanDerWaalsContact O-N 3.15Å; Q274-W306 HydrophobicContact CB-CB 3.82Å; Q274-W306 HydrophobicContact CB-CG 4.22Å; Q274-W306 WeakPolarHBondContact O-CB 3.34Å |
| 275 | T | 86.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 150.4 | 177 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | R270 L273 | R270-T275 VanDerWaalsContact C-OG1 3.25Å; R270-T275 WeakPolarHBondContact O-CB 3.43Å; R270-T275 PolarHBondContact O-N 2.88Å; R270-T275 PolarHBondContact O-OG1 2.89Å; L273-T275 HydrophobicContact CB-CG2 4.15Å; L273-T275 PolarHBondContact O-N 3.24Å |
| 276 | T | 84.2 | Confident | 88 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -67 | 128.2 | 168.6 | -48.9 | 0 | 0 | 0 | 0 | 109.3 | A278 V281 L284 I305 | T276-A278 PolarHBondContact O-N 3.45Å; T276-V281 HydrophobicContact CG2-CG2 3.95Å; T276-L284 HydrophobicContact CG2-CD2 3.93Å; T276-I305 PolarHBondContact OG1-O 3.33Å |
| 277 | P | 79.6 | Confident | 88 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 132.8 | 177.8 | 27.2 | -33.9 | 0 | 0 | 0 | 110.4 | H279 L280 L313 | P277-H279 PolarHBondContact O-N 3.3Å; P277-L280 HydrophobicContact CG-CB 4.16Å; P277-L280 HydrophobicContact CG-CD1 3.76Å; P277-L280 HydrophobicContact CG-CG 4.07Å; P277-L280 PolarHBondContact O-N 2.72Å; P277-L313 HydrophobicContact CG-CD2 3.9Å |
| 278 | A | 79.1 | Confident | 88.1 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 72% | 0.719 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -55.2 | -30.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T276 L280 | T276-A278 PolarHBondContact O-N 3.45Å; A278-L280 VanDerWaalsContact C-N 3.32Å; A278-L280 PolarHBondContact O-N 3.24Å |
| 279 | H | 80.2 | Confident | 88.2 | Confident | 113 Ų | 113 | 70.3 Ų | 70.3 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.1 | -18.1 | 179.9 | 66.7 | -85.3 | 0 | 0 | 0 | 113.8 | P277 | P277-H279 PolarHBondContact O-N 3.3Å |
| 280 | L | 83 | Confident | 88.2 | Confident | 44 Ų | 44 | 74 Ų | 74 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -100.4 | -9.4 | 179.1 | -61.1 | -179.8 | 0 | 0 | 0 | 113.4 | P277 A278 S282 P283 L284 L313 | P277-L280 HydrophobicContact CG-CB 4.16Å; P277-L280 HydrophobicContact CG-CD1 3.76Å; P277-L280 HydrophobicContact CG-CG 4.07Å; P277-L280 PolarHBondContact O-N 2.72Å; A278-L280 VanDerWaalsContact C-N 3.32Å; A278-L280 PolarHBondContact O-N 3.24Å; L280-S282 PolarHBondContact O-N 3.13Å; L280-P283 WeakPolarHBondContact O-CD 3.45Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 PolarHBondContact O-N 2.73Å; L280-L313 HydrophobicContact CB-CD1 4.28Å; L280-L313 HydrophobicContact CD1-CD1 3.52Å; L280-L313 HydrophobicContact CD1-CD2 4.07Å; L280-L313 HydrophobicContact CD1-CG 3.81Å; L280-L313 HydrophobicContact CG-CD1 4.49Å |
| 281 | V | 86.5 | Confident | 88.2 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | -179.6 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | T276 L284 D285 | T276-V281 HydrophobicContact CG2-CG2 3.95Å; V281-L284 WeakPolarHBondContact O-CB 3.28Å; V281-L284 PolarHBondContact O-N 2.84Å; V281-D285 PolarHBondContact O-N 3.45Å |
| 282 | S | 89.2 | Confident | 88.4 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.7 | -47.1 | -178.1 | 173.3 | 0 | 0 | 0 | 0 | 114.4 | L280 L284 D285 K286 | L280-S282 PolarHBondContact O-N 3.13Å; S282-L284 PolarHBondContact O-N 3.41Å; S282-D285 PolarHBondContact O-N 2.82Å; S282-K286 PolarHBondContact O-N 3.22Å; S282-K286 VanDerWaalsContact O-N 3.14Å |
| 283 | P | 90.4 | Very high | 88.4 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 38% | 0.377 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 171.3 | -27 | 34.5 | 0 | 0 | 0 | 113.1 | L280 K286 A287 L341 | L280-P283 WeakPolarHBondContact O-CD 3.45Å; P283-K286 PolarHBondContact O-N 2.78Å; P283-A287 PolarHBondContact O-N 2.73Å; P283-L341 HydrophobicContact CB-CD2 3.65Å |
| 284 | L | 90.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.7 | -45.4 | 179.4 | 177.6 | 62.7 | 0 | 0 | 0 | 112.1 | T276 L280 V281 S282 K286 A287 L288 I305 V342 | T276-L284 HydrophobicContact CG2-CD2 3.93Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 PolarHBondContact O-N 2.73Å; V281-L284 WeakPolarHBondContact O-CB 3.28Å; V281-L284 PolarHBondContact O-N 2.84Å; S282-L284 PolarHBondContact O-N 3.41Å; L284-K286 PolarHBondContact O-N 3.49Å; L284-A287 PolarHBondContact O-N 2.95Å; L284-A287 VanDerWaalsContact O-N 3.1Å; L284-L288 HydrophobicContact CD1-CD1 4.24Å; L284-L288 HydrophobicContact CD1-CG 4.22Å; L284-L288 HydrophobicContact CG-CD1 4.03Å; L284-L288 HydrophobicContact CG-CG 4.45Å; L284-L288 WeakPolarHBondContact O-CB 3.15Å; L284-L288 WeakPolarHBondContact O-CG 3.25Å; L284-L288 PolarHBondContact O-N 2.99Å; L284-I305 HydrophobicContact CD1-CD1 3.36Å; L284-I305 HydrophobicContact CD2-CB 4.02Å; L284-I305 HydrophobicContact CD2-CD1 3.65Å; L284-I305 HydrophobicContact CD2-CG1 4.38Å; L284-I305 HydrophobicContact CD2-CG2 3.89Å; L284-I305 HydrophobicContact CG-CD1 3.96Å; L284-V342 HydrophobicContact CD1-CG2 4.46Å |
| 285 | D | 91.1 | Very high | 88.5 | Confident | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58 | -39.9 | 175.4 | -68.9 | -20.4 | 0 | 0 | 0 | 111.1 | V281 S282 R289 | V281-D285 PolarHBondContact O-N 3.45Å; S282-D285 PolarHBondContact O-N 2.82Å; D285-R289 VanDerWaalsContact O-CB 3.29Å; D285-R289 WeakPolarHBondContact O-CB 3.43Å; D285-R289 PolarHBondContact O-N 2.86Å |
| 286 | K | 93.1 | Very high | 88.6 | Confident | 135 Ų | 135 | 65.6 Ų | 65.6 | 59% | 0.587 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 174.7 | -174.5 | -177.7 | 174.9 | -170.4 | 0 | 111.5 | S282 P283 L284 R289 E290 | S282-K286 PolarHBondContact O-N 3.22Å; S282-K286 VanDerWaalsContact O-N 3.14Å; P283-K286 PolarHBondContact O-N 2.78Å; L284-K286 PolarHBondContact O-N 3.49Å; K286-R289 PolarHBondContact O-N 3.48Å; K286-E290 WeakPolarHBondContact CE-OE1 3.41Å; K286-E290 WeakPolarHBondContact O-CG 3.37Å; K286-E290 PolarHBondContact O-N 3.48Å |
| 287 | A | 91.2 | Very high | 88.9 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P283 L284 R289 E290 A291 L338 L341 | P283-A287 PolarHBondContact O-N 2.73Å; L284-A287 PolarHBondContact O-N 2.95Å; L284-A287 VanDerWaalsContact O-N 3.1Å; A287-R289 VanDerWaalsContact C-N 3.32Å; A287-E290 PolarHBondContact O-N 3.17Å; A287-A291 WeakPolarHBondContact O-CB 3.1Å; A287-A291 PolarHBondContact O-N 2.96Å; A287-L338 HydrophobicContact CB-CD2 4.08Å; A287-L341 HydrophobicContact CB-CD1 3.61Å |
| 288 | L | 91.7 | Very high | 89.4 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -40 | 173.6 | -74 | 169.7 | 0 | 0 | 0 | 111.3 | L284 A291 S292 L300 E303 L338 | L284-L288 HydrophobicContact CD1-CD1 4.24Å; L284-L288 HydrophobicContact CD1-CG 4.22Å; L284-L288 HydrophobicContact CG-CD1 4.03Å; L284-L288 HydrophobicContact CG-CG 4.45Å; L284-L288 WeakPolarHBondContact O-CB 3.15Å; L284-L288 WeakPolarHBondContact O-CG 3.25Å; L284-L288 PolarHBondContact O-N 2.99Å; L288-A291 PolarHBondContact O-N 2.72Å; L288-S292 PolarHBondContact O-N 3.26Å; L288-L300 HydrophobicContact CD2-CD1 4.23Å; L288-L300 WeakPolarHBondContact O-CD1 3.3Å; L288-E303 HydrophobicContact CD1-CG 4.37Å; L288-L338 HydrophobicContact CD2-CD1 4.35Å; L288-L338 HydrophobicContact CD2-CD2 3.93Å; L288-L338 HydrophobicContact CG-CD2 4.26Å |
| 289 | R | 92.3 | Very high | 89.9 | Confident | 194 Ų | 194 | 66.7 Ų | 66.7 | 73% | 0.732 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.9 | -37.9 | 175 | -173.1 | 176.2 | -180 | -177.6 | 0.5 | 112.7 | D285 K286 A287 S292 T293 | D285-R289 VanDerWaalsContact O-CB 3.29Å; D285-R289 WeakPolarHBondContact O-CB 3.43Å; D285-R289 PolarHBondContact O-N 2.86Å; K286-R289 PolarHBondContact O-N 3.48Å; A287-R289 VanDerWaalsContact C-N 3.32Å; R289-S292 PolarHBondContact O-OG 3.49Å; R289-T293 WeakPolarHBondContact O-CG2 3.2Å |
| 290 | E | 92.7 | Very high | 90.4 | Very high | 87 Ų | 87 | 63 Ų | 63 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 173.3 | -72.4 | 174.9 | -169.5 | 0 | 0 | 111.1 | K286 A287 S292 T293 | K286-E290 WeakPolarHBondContact CE-OE1 3.41Å; K286-E290 WeakPolarHBondContact O-CG 3.37Å; K286-E290 PolarHBondContact O-N 3.48Å; A287-E290 PolarHBondContact O-N 3.17Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 3.44Å; E290-T293 PolarHBondContact O-N 3.08Å; E290-T293 PolarHBondContact O-OG1 3.35Å |
| 291 | A | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -33.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A287 L288 T293 V294 L300 V334 L338 | A287-A291 WeakPolarHBondContact O-CB 3.1Å; A287-A291 PolarHBondContact O-N 2.96Å; L288-A291 PolarHBondContact O-N 2.72Å; A291-T293 PolarHBondContact O-N 3.32Å; A291-V294 WeakPolarHBondContact O-CB 3.45Å; A291-V294 WeakPolarHBondContact O-CG2 3.44Å; A291-V294 PolarHBondContact O-N 2.72Å; A291-L300 HydrophobicContact CB-CD1 4.17Å; A291-V334 HydrophobicContact CB-CG1 4.22Å; A291-L338 HydrophobicContact CB-CD1 4.41Å; A291-L338 HydrophobicContact CB-CG 4.44Å |
| 292 | S | 91.7 | Very high | 90.7 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.3 | -16.6 | 175.9 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | L288 R289 E290 V294 | L288-S292 PolarHBondContact O-N 3.26Å; R289-S292 PolarHBondContact O-OG 3.49Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 3.44Å; S292-V294 VanDerWaalsContact C-N 3.32Å |
| 293 | T | 92.5 | Very high | 90.7 | Very high | 108 Ų | 108 | 67.6 Ų | 67.6 | 66% | 0.663 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.6 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 114 | R289 E290 A291 | R289-T293 WeakPolarHBondContact O-CG2 3.2Å; E290-T293 PolarHBondContact O-N 3.08Å; E290-T293 PolarHBondContact O-OG1 3.35Å; A291-T293 PolarHBondContact O-N 3.32Å |
| 294 | V | 90.9 | Very high | 90.7 | Very high | 22 Ų | 22 | 68.8 Ų | 68.8 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -68.1 | 132.8 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | A291 S292 G296 V297 H333 | A291-V294 WeakPolarHBondContact O-CB 3.45Å; A291-V294 WeakPolarHBondContact O-CG2 3.44Å; A291-V294 PolarHBondContact O-N 2.72Å; S292-V294 VanDerWaalsContact C-N 3.32Å; V294-G296 PolarHBondContact O-N 3.01Å; V294-V297 HydrophobicContact CB-CG2 4Å; V294-V297 HydrophobicContact CG1-CG2 4.36Å; V294-V297 WeakPolarHBondContact O-CB 3.12Å; V294-V297 PolarHBondContact O-N 3.09Å; V294-H333 HydrophobicContact CG1-CB 3.71Å; V294-H333 HydrophobicContact CG2-CB 4.39Å |
| 295 | D | 90.4 | Very high | 90.6 | Very high | 137 Ų | 137 | 69 Ų | 69 | 73% | 0.733 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 121.2 | 179.2 | -74.1 | -40.2 | 0 | 0 | 0 | 111.9 | ||
| 296 | G | 88.6 | Confident | 90.6 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | -16.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V294 V321 R322 | V294-G296 PolarHBondContact O-N 3.01Å; G296-V321 CarbonylContact O-C 3.52Å; G296-V321 VanDerWaalsContact O-CA 3.29Å; G296-V321 WeakPolarHBondContact O-CA 3.3Å; G296-R322 PolarHBondContact O-N 3.22Å |
| 297 | V | 91.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 126.5 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V294 L300 V319 V330 V334 | V294-V297 HydrophobicContact CB-CG2 4Å; V294-V297 HydrophobicContact CG1-CG2 4.36Å; V294-V297 WeakPolarHBondContact O-CB 3.12Å; V294-V297 PolarHBondContact O-N 3.09Å; V297-L300 HydrophobicContact CG1-CD2 3.94Å; V297-L300 HydrophobicContact CG1-CG 4.38Å; V297-V319 HydrophobicContact CB-CG1 4.38Å; V297-V319 HydrophobicContact CG1-CG1 3.87Å; V297-V319 HydrophobicContact CG2-CG1 3.85Å; V297-V330 HydrophobicContact CG2-CG1 3.48Å; V297-V330 VanDerWaalsContact CG2-CG1 3.48Å; V297-V334 HydrophobicContact CG2-CG2 3.98Å |
| 298 | L | 89.4 | Confident | 89.9 | Confident | 86 Ų | 86 | 59.9 Ų | 59.9 | 45% | 0.45 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -45.6 | 173.4 | -73.7 | 171.1 | 0 | 0 | 0 | 111.1 | R320 R322 D352 | L298-R320 HydrophobicContact CB-CB 4.19Å; L298-R320 HydrophobicContact CB-CG 4.14Å; L298-R320 HydrophobicContact CD1-CG 4.08Å; L298-R320 PolarHBondContact N-O 2.74Å; L298-R322 HydrophobicContact CD1-CG 4.15Å; L298-R322 HydrophobicContact CD2-CG 3.74Å; L298-R322 HydrophobicContact CG-CG 3.73Å; L298-D352 HydrophobicContact CD1-CB 3.87Å |
| 299 | E | 91.1 | Very high | 89.5 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 153.1 | 179.7 | 55.3 | -179.2 | 169.3 | 0 | 0 | 110.3 | Q301 R320 | E299-Q301 HydrophobicContact CG-CG 4.15Å; E299-Q301 PolarHBondContact OE1-NE2 2.84Å; E299-Q301 PolarHBondContact OE2-NE2 3.45Å; E299-R320 HydrophobicContact CG-CB 3.43Å; E299-R320 VanDerWaalsContact CG-CB 3.43Å; E299-R320 HydrophobicContact CG-CG 4.22Å; E299-R320 PolarHBondContact O-N 3.1Å; E299-R320 WeakPolarHBondContact OE1-CD 3.5Å; E299-R320 IonicContact OE1-CZ 2.84Å; E299-R320 IonicContact OE1-NE 3.99Å; E299-R320 IonicContact OE1-NH1 3.24Å; E299-R320 PolarHBondContact OE1-NH1 2.98Å |
| 300 | L | 90.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.5 | 165.9 | -57.3 | 177.8 | 0 | 0 | 0 | 107 | L288 A291 V297 L317 Y318 V319 | L288-L300 HydrophobicContact CD2-CD1 4.23Å; L288-L300 WeakPolarHBondContact O-CD1 3.3Å; A291-L300 HydrophobicContact CB-CD1 4.17Å; V297-L300 HydrophobicContact CG1-CD2 3.94Å; V297-L300 HydrophobicContact CG1-CG 4.38Å; L300-L317 HydrophobicContact CD2-CD1 3.94Å; L300-Y318 CarbonylContact C-O 3.56Å; L300-Y318 WeakPolarHBondContact CA-O 3.26Å; L300-V319 HydrophobicContact CD2-CB 4.29Å; L300-V319 HydrophobicContact CD2-CG1 4.02Å; L300-V319 HydrophobicContact CD2-CG2 3.8Å |
| 301 | Q | 88.8 | Confident | 88.4 | Confident | 69 Ų | 69 | 51 Ų | 51 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.1 | -179.3 | -66.9 | -168 | -6 | 0 | 0 | 111.4 | E299 E303 Y318 Y350 | E299-Q301 HydrophobicContact CG-CG 4.15Å; E299-Q301 PolarHBondContact OE1-NE2 2.84Å; E299-Q301 PolarHBondContact OE2-NE2 3.45Å; Q301-E303 PolarHBondContact O-N 2.97Å; Q301-Y318 PolarHBondContact N-O 3.29Å; Q301-Y318 WeakPolarHBondContact O-CA 3.35Å; Q301-Y318 WeakPolarHBondContact O-CB 3.37Å; Q301-Y318 PolarHBondContact O-N 3.18Å; Q301-Y350 WeakPolarHBondContact CG-OH 3.14Å; Q301-Y350 PolarHBondContact NE2-OH 3Å; Q301-Y350 PolarHBondContact OE1-OH 3.04Å |
| 302 | N | 86.5 | Confident | 88 | Confident | 105 Ų | 105 | 52.6 Ų | 52.6 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47 | 46.3 | 174.3 | -56.1 | 1.2 | 0 | 0 | 0 | 113.1 | H304 Y318 | N302-H304 PolarHBondContact O-N 3.31Å; N302-Y318 HydrophobicContact CB-CD2 3.51Å; N302-Y318 HydrophobicContact CB-CE2 3.77Å; N302-Y318 WeakPolarHBondContact ND2-CD2 3.47Å; N302-Y318 WeakPolarHBondContact ND2-CE2 3.35Å |
| 303 | E | 88.4 | Confident | 87.9 | Confident | 113 Ų | 113 | 50.2 Ų | 50.2 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 116.6 | 170.1 | 69.8 | -67.5 | 171.5 | 0 | 0 | 109.5 | L288 Q301 | L288-E303 HydrophobicContact CD1-CG 4.37Å; Q301-E303 PolarHBondContact O-N 2.97Å |
| 304 | H | 90.1 | Very high | 87.8 | Confident | 83 Ų | 83 | 45.1 Ų | 45.1 | 38% | 0.384 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 109.4 | 175.1 | -175.4 | -104 | 0 | 0 | 0 | 107.6 | N302 W306 G315 S316 | N302-H304 PolarHBondContact O-N 3.31Å; H304-W306 AromaticContact CE1-CE3 3.41Å; H304-W306 VanDerWaalsContact CE1-CE3 3.41Å; H304-W306 AromaticContact CE1-CZ3 3.91Å; H304-W306 AromaticContact ND1-CE3 3.01Å; H304-W306 AromaticContact ND1-CZ3 3.16Å; H304-W306 WeakPolarHBondContact ND1-CZ3 3.34Å; H304-W306 VanDerWaalsContact O-CZ3 3.31Å; H304-W306 WeakPolarHBondContact O-CZ3 3.39Å; H304-G315 CarbonylContact O-C 3.54Å; H304-G315 WeakPolarHBondContact O-CA 3.45Å; H304-S316 PolarHBondContact N-O 3.49Å; H304-S316 PolarHBondContact O-N 3.38Å |
| 305 | I | 89.4 | Confident | 87.8 | Confident | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.2 | -175.7 | -60.9 | 178.1 | 0 | 0 | 0 | 107.2 | T276 L284 L313 A314 V342 | T276-I305 PolarHBondContact OG1-O 3.33Å; L284-I305 HydrophobicContact CD1-CD1 3.36Å; L284-I305 HydrophobicContact CD2-CB 4.02Å; L284-I305 HydrophobicContact CD2-CD1 3.65Å; L284-I305 HydrophobicContact CD2-CG1 4.38Å; L284-I305 HydrophobicContact CD2-CG2 3.89Å; L284-I305 HydrophobicContact CG-CD1 3.96Å; I305-L313 HydrophobicContact CG2-CD1 4.32Å; I305-A314 CarbonylContact C-O 3.58Å; I305-A314 WeakPolarHBondContact CA-O 3.43Å; I305-V342 HydrophobicContact CD1-CG2 4.34Å; I305-V342 HydrophobicContact CG2-CG2 4.18Å |
| 306 | W | 90.3 | Very high | 87.9 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 159.5 | -174.5 | 66.9 | 90.6 | 0 | 0 | 0 | 111 | R107 Q274 H304 L313 A314 | R107-W306 VanDerWaalsContact NH2-CD1 3.29Å; R107-W306 VanDerWaalsContact NH2-NE1 3.14Å; Q274-W306 HydrophobicContact CB-CB 3.82Å; Q274-W306 HydrophobicContact CB-CG 4.22Å; Q274-W306 WeakPolarHBondContact O-CB 3.34Å; H304-W306 AromaticContact CE1-CE3 3.41Å; H304-W306 VanDerWaalsContact CE1-CE3 3.41Å; H304-W306 AromaticContact CE1-CZ3 3.91Å; H304-W306 AromaticContact ND1-CE3 3.01Å; H304-W306 AromaticContact ND1-CZ3 3.16Å; H304-W306 WeakPolarHBondContact ND1-CZ3 3.34Å; H304-W306 VanDerWaalsContact O-CZ3 3.31Å; H304-W306 WeakPolarHBondContact O-CZ3 3.39Å; W306-L313 WeakPolarHBondContact O-CA 3.17Å; W306-A314 HydrophobicContact CD2-CB 4.2Å; W306-A314 HydrophobicContact CH2-CB 4.45Å; W306-A314 HydrophobicContact CZ2-CB 3.74Å; W306-A314 PolarHBondContact N-O 2.99Å; W306-A314 PolarHBondContact O-N 3.42Å |
| 307 | S | 86.8 | Confident | 88.2 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.8 | 176.1 | -144.5 | 0 | 0 | 0 | 0 | 111 | G309 | S307-G309 PolarHBondContact OG-O 3.49Å |
| 308 | T | 82.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -89.8 | -31.7 | 171 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | L103 E106 R107 D312 A314 Y344 | L103-T308 HydrophobicContact CD1-CG2 4.15Å; E106-T308 PolarHBondContact OE2-OG1 3.14Å; R107-T308 WeakPolarHBondContact CG-O 3.33Å; R107-T308 PolarHBondContact N-O 3.45Å; T308-D312 PolarHBondContact N-O 2.99Å; T308-D312 WeakPolarHBondContact OG1-CB 3.46Å; T308-D312 PolarHBondContact OG1-O 2.96Å; T308-A314 HydrophobicContact CG2-CB 3.59Å; T308-Y344 HydrophobicContact CG2-CD2 4.48Å |
| 309 | G | 82.6 | Confident | 88.5 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -143.8 | -150.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S307 | S307-G309 PolarHBondContact OG-O 3.49Š|
| 310 | Y | 81.2 | Confident | 88.5 | Confident | 19 Ų | 19 | 39 Ų | 39 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -82.9 | -21.7 | 176.2 | -66.5 | -66.6 | 0 | 0 | 0 | 114.2 | E109 V110 V113 A168 H171 V172 I271 | E109-Y310 HydrophobicContact CB-CD2 4.42Å; E109-Y310 HydrophobicContact CB-CE2 3.93Å; V110-Y310 WeakPolarHBondContact CA-OH 3.14Å; V110-Y310 HydrophobicContact CG2-CE1 4.32Å; V110-Y310 HydrophobicContact CG2-CE2 4.06Å; V113-Y310 WeakPolarHBondContact CB-OH 3.11Å; V113-Y310 VanDerWaalsContact CG2-OH 3.23Å; V113-Y310 WeakPolarHBondContact CG2-OH 3.42Å; A168-Y310 HydrophobicContact CB-CD2 4.09Å; A168-Y310 HydrophobicContact CB-CE2 3.43Å; A168-Y310 VanDerWaalsContact CB-CE2 3.43Å; H171-Y310 HydrophobicContact CB-CD1 3.77Å; H171-Y310 HydrophobicContact CB-CG 3.85Å; V172-Y310 HydrophobicContact CG2-CD1 4.29Å; V172-Y310 HydrophobicContact CG2-CE1 3.34Å; I271-Y310 HydrophobicContact CD1-CD1 3.98Å; I271-Y310 HydrophobicContact CD1-CE1 3.83Å |
| 311 | N | 80.8 | Confident | 88.7 | Confident | 99 Ų | 99 | 37.3 Ų | 37.3 | 53% | 0.529 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -116.4 | -24.6 | -174.2 | -70.9 | -44.1 | 0 | 0 | 0 | 114.2 | H171 | H171-N311 PolarHBondContact CE1-OD1 3.36Å; H171-N311 PolarHBondContact NE2-ND2 3.2Å; H171-N311 PolarHBondContact NE2-OD1 3.29Å |
| 312 | D | 84.2 | Confident | 88.8 | Confident | 33 Ų | 33 | 39 Ų | 39 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | trans | -109 | 134 | -170.7 | -69.7 | -33.8 | 0 | 0 | 0 | 112.1 | E106 T308 K343 | E106-D312 VanDerWaalsContact OE1-OD2 3.08Å; T308-D312 PolarHBondContact N-O 2.99Å; T308-D312 WeakPolarHBondContact OG1-CB 3.46Å; T308-D312 PolarHBondContact OG1-O 2.96Å; D312-K343 HydrophobicContact CB-CD 4.05Å; D312-K343 VanDerWaalsContact OD1-CD 3.29Å; D312-K343 WeakPolarHBondContact OD1-CD 3.46Å; D312-K343 IonicContact OD1-NZ 3.09Å; D312-K343 WeakPolarHBondContact OD2-CD 3.46Å; D312-K343 IonicContact OD2-NZ 3.27Å; D312-K343 PolarHBondContact OD2-NZ 3.38Å | ||
| 313 | L | 89 | Confident | 88.8 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.8 | 171.1 | -68.4 | -179.4 | 0 | 0 | 0 | 110.4 | P277 L280 I305 W306 V342 K343 Y344 | P277-L313 HydrophobicContact CG-CD2 3.9Å; L280-L313 HydrophobicContact CB-CD1 4.28Å; L280-L313 HydrophobicContact CD1-CD1 3.52Å; L280-L313 HydrophobicContact CD1-CD2 4.07Å; L280-L313 HydrophobicContact CD1-CG 3.81Å; L280-L313 HydrophobicContact CG-CD1 4.49Å; I305-L313 HydrophobicContact CG2-CD1 4.32Å; W306-L313 WeakPolarHBondContact O-CA 3.17Å; L313-V342 HydrophobicContact CB-CB 4.46Å; L313-V342 HydrophobicContact CB-CG1 4.31Å; L313-V342 HydrophobicContact CB-CG2 4.26Å; L313-V342 HydrophobicContact CD1-CG2 4.43Å; L313-V342 WeakPolarHBondContact O-CG1 3.48Å; L313-K343 PolarHBondContact O-N 2.85Å; L313-Y344 PolarHBondContact O-N 3.04Å |
| 314 | A | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I305 W306 T308 Y344 | I305-A314 CarbonylContact C-O 3.58Å; I305-A314 WeakPolarHBondContact CA-O 3.43Å; W306-A314 HydrophobicContact CD2-CB 4.2Å; W306-A314 HydrophobicContact CH2-CB 4.45Å; W306-A314 HydrophobicContact CZ2-CB 3.74Å; W306-A314 PolarHBondContact N-O 2.99Å; W306-A314 PolarHBondContact O-N 3.42Å; T308-A314 HydrophobicContact CG2-CB 3.59Å; A314-Y344 CarbonylContact C-O 3.48Å; A314-Y344 VanDerWaalsContact CA-O 3.26Å; A314-Y344 WeakPolarHBondContact CA-O 3.2Å; A314-Y344 HydrophobicContact CB-CD2 4.46Å |
| 315 | G | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 154.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H304 Y344 L345 T346 | H304-G315 CarbonylContact O-C 3.54Å; H304-G315 WeakPolarHBondContact O-CA 3.45Å; G315-Y344 PolarHBondContact N-O 3.34Å; G315-L345 WeakPolarHBondContact O-CA 3.24Å; G315-T346 PolarHBondContact O-N 3.33Å; G315-T346 PolarHBondContact O-OG1 2.89Å; G315-T346 VanDerWaalsContact O-OG1 3.11Å |
| 316 | S | 93.2 | Very high | 88.9 | Confident | 35 Ų | 35 | 41.1 Ų | 41.1 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.5 | 171 | 59 | 0 | 0 | 0 | 0 | 109.6 | H304 T346 | H304-S316 PolarHBondContact N-O 3.49Å; H304-S316 PolarHBondContact O-N 3.38Å; S316-T346 VanDerWaalsContact CA-O 3.28Å; S316-T346 WeakPolarHBondContact CA-O 3.08Å; S316-T346 WeakPolarHBondContact CA-OG1 3.34Å; S316-T346 VanDerWaalsContact CB-OG1 3.26Å; S316-T346 WeakPolarHBondContact CB-OG1 3.39Å |
| 317 | L | 93.7 | Very high | 89 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.4 | 173.7 | 76.9 | 100.7 | 0 | 0 | 0 | 111.8 | L300 V319 L338 L345 T346 I347 Q348 | L300-L317 HydrophobicContact CD2-CD1 3.94Å; L317-V319 HydrophobicContact CD1-CG2 3.26Å; L317-L338 HydrophobicContact CD2-CD1 3.24Å; L317-L345 HydrophobicContact CD2-CD1 4.08Å; L317-T346 PolarHBondContact N-O 2.92Å; L317-I347 HydrophobicContact CD1-CG2 3.91Å; L317-I347 HydrophobicContact CD2-CD1 4.23Å; L317-I347 HydrophobicContact CD2-CG1 4.09Å; L317-I347 HydrophobicContact CG-CB 4.49Å; L317-I347 HydrophobicContact CG-CG1 4.16Å; L317-I347 HydrophobicContact CG-CG2 4.12Å; L317-I347 WeakPolarHBondContact O-CA 3.31Å; L317-Q348 PolarHBondContact O-N 3.4Å |
| 318 | Y | 93.6 | Very high | 89.3 | Confident | 87 Ų | 87 | 48.4 Ų | 48.4 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.7 | 172 | -58 | -44.3 | 0 | 0 | 0 | 111.2 | L300 Q301 N302 Q348 | L300-Y318 CarbonylContact C-O 3.56Å; L300-Y318 WeakPolarHBondContact CA-O 3.26Å; Q301-Y318 PolarHBondContact N-O 3.29Å; Q301-Y318 WeakPolarHBondContact O-CA 3.35Å; Q301-Y318 WeakPolarHBondContact O-CB 3.37Å; Q301-Y318 PolarHBondContact O-N 3.18Å; N302-Y318 HydrophobicContact CB-CD2 3.51Å; N302-Y318 HydrophobicContact CB-CE2 3.77Å; N302-Y318 WeakPolarHBondContact ND2-CD2 3.47Å; N302-Y318 WeakPolarHBondContact ND2-CE2 3.35Å; Y318-Q348 WeakPolarHBondContact CA-O 3.43Å; Y318-Q348 HydrophobicContact CD1-CB 3.62Å; Y318-Q348 HydrophobicContact CD1-CG 3.86Å; Y318-Q348 HydrophobicContact CE1-CB 3.78Å; Y318-Q348 HydrophobicContact CE1-CG 4.01Å |
| 319 | V | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.3 | 177.3 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | V297 L300 L317 V321 V330 V334 I347 Q348 V349 Y350 | V297-V319 HydrophobicContact CB-CG1 4.38Å; V297-V319 HydrophobicContact CG1-CG1 3.87Å; V297-V319 HydrophobicContact CG2-CG1 3.85Å; L300-V319 HydrophobicContact CD2-CB 4.29Å; L300-V319 HydrophobicContact CD2-CG1 4.02Å; L300-V319 HydrophobicContact CD2-CG2 3.8Å; L317-V319 HydrophobicContact CD1-CG2 3.26Å; V319-V321 HydrophobicContact CB-CG2 4.38Å; V319-V321 HydrophobicContact CG1-CG2 3.68Å; V319-V330 HydrophobicContact CG1-CG1 4.15Å; V319-V334 HydrophobicContact CG2-CG1 4.24Å; V319-I347 HydrophobicContact CG2-CG2 3.42Å; V319-I347 VanDerWaalsContact CG2-CG2 3.42Å; V319-Q348 PolarHBondContact N-O 3.21Å; V319-V349 HydrophobicContact CB-CG2 4.34Å; V319-V349 WeakPolarHBondContact O-CA 3.3Å; V319-Y350 WeakPolarHBondContact O-CD1 3.33Å; V319-Y350 PolarHBondContact O-N 3.4Å |
| 320 | R | 92.5 | Very high | 90.2 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 28% | 0.275 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.8 | 166.9 | -166.2 | 169.4 | 167 | -165.5 | -10.2 | 109.2 | L298 E299 Y350 D352 | L298-R320 HydrophobicContact CB-CB 4.19Å; L298-R320 HydrophobicContact CB-CG 4.14Å; L298-R320 HydrophobicContact CD1-CG 4.08Å; L298-R320 PolarHBondContact N-O 2.74Å; E299-R320 HydrophobicContact CG-CB 3.43Å; E299-R320 VanDerWaalsContact CG-CB 3.43Å; E299-R320 HydrophobicContact CG-CG 4.22Å; E299-R320 PolarHBondContact O-N 3.1Å; E299-R320 WeakPolarHBondContact OE1-CD 3.5Å; E299-R320 IonicContact OE1-CZ 2.84Å; E299-R320 IonicContact OE1-NE 3.99Å; E299-R320 IonicContact OE1-NH1 3.24Å; E299-R320 PolarHBondContact OE1-NH1 2.98Å; R320-Y350 WeakPolarHBondContact CA-O 3.34Å; R320-Y350 HydrophobicContact CB-CD2 4.32Å; R320-Y350 HydrophobicContact CB-CE1 4.05Å; R320-Y350 HydrophobicContact CB-CE2 3.59Å; R320-Y350 VanDerWaalsContact CB-CZ 3.43Å; R320-Y350 WeakPolarHBondContact CB-OH 3.32Å; R320-Y350 HydrophobicContact CG-CD2 4.03Å; R320-Y350 HydrophobicContact CG-CE2 3.42Å; R320-Y350 VanDerWaalsContact CG-CE2 3.42Å; R320-D352 HydrophobicContact CG-CB 4.46Å; R320-D352 IonicContact CZ-OD1 3.57Å; R320-D352 IonicContact NE-OD1 3.63Å; R320-D352 PolarHBondContact NE-OD1 2.94Å; R320-D352 IonicContact NE-OD2 3.51Å; R320-D352 IonicContact NH2-OD1 2.72Å; R320-D352 PolarHBondContact NH2-OD1 3.08Å; R320-D352 IonicContact NH2-OD2 2.78Å; R320-D352 PolarHBondContact NH2-OD2 3.49Å |
| 321 | V | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.8 | -176.8 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | G296 V319 A325 V330 V349 Y350 D352 | G296-V321 CarbonylContact O-C 3.52Å; G296-V321 VanDerWaalsContact O-CA 3.29Å; G296-V321 WeakPolarHBondContact O-CA 3.3Å; V319-V321 HydrophobicContact CB-CG2 4.38Å; V319-V321 HydrophobicContact CG1-CG2 3.68Å; V321-A325 HydrophobicContact CG1-CB 3.52Å; V321-V330 HydrophobicContact CG1-CB 4.47Å; V321-V330 HydrophobicContact CG1-CG2 3.98Å; V321-V330 HydrophobicContact CG2-CB 4.17Å; V321-V330 HydrophobicContact CG2-CG1 3.71Å; V321-V330 HydrophobicContact CG2-CG2 4.44Å; V321-V349 HydrophobicContact CB-CG1 4.05Å; V321-V349 HydrophobicContact CG2-CG1 3.49Å; V321-V349 VanDerWaalsContact CG2-CG1 3.49Å; V321-Y350 PolarHBondContact N-O 3.15Å; V321-D352 PolarHBondContact O-N 3.4Å; V321-D352 VanDerWaalsContact O-N 3.11Å |
| 322 | R | 91.2 | Very high | 91.3 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | trans | -58.2 | 150.8 | 173.2 | -62.4 | -172.4 | -59.5 | -159.5 | -8.3 | 110.5 | G296 L298 D324 A325 | G296-R322 PolarHBondContact O-N 3.22Å; L298-R322 HydrophobicContact CD1-CG 4.15Å; L298-R322 HydrophobicContact CD2-CG 3.74Å; L298-R322 HydrophobicContact CG-CG 3.73Å; R322-D324 VanDerWaalsContact C-N 3.29Å; R322-D324 WeakPolarHBondContact CB-OD1 3.16Å; R322-D324 IonicContact NE-OD1 3.71Å; R322-D324 PolarHBondContact O-N 3.46Å; R322-A325 HydrophobicContact CB-CB 4.19Å; R322-A325 PolarHBondContact O-N 3.21Å; R322-A325 VanDerWaalsContact O-N 3.17Å | ||
| 323 | R | 87.6 | Confident | 91.7 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.6 | -176.7 | -67.9 | 163.1 | 165.4 | -104.5 | -26.8 | 114.1 | D352 D353 W354 | R323-D352 WeakPolarHBondContact CG-O 3.42Å; R323-D352 PolarHBondContact NE-O 2.87Å; R323-D352 PolarHBondContact NH2-O 3.32Å; R323-D353 VanDerWaalsContact NH2-CA 3.34Å; R323-W354 VanDerWaalsContact NE-NE1 3.19Å |
| 324 | D | 89.4 | Confident | 91.9 | Very high | 129 Ų | 129 | 53.7 Ų | 53.7 | 69% | 0.69 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12.5 | -178.7 | 63.8 | -35.1 | 0 | 0 | 0 | 113 | R322 | R322-D324 VanDerWaalsContact C-N 3.29Å; R322-D324 WeakPolarHBondContact CB-OD1 3.16Å; R322-D324 IonicContact NE-OD1 3.71Å; R322-D324 PolarHBondContact O-N 3.46Å |
| 325 | A | 88.8 | Confident | 92 | Very high | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -80.8 | 146.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V321 R322 E327 V330 | V321-A325 HydrophobicContact CG1-CB 3.52Å; R322-A325 HydrophobicContact CB-CB 4.19Å; R322-A325 PolarHBondContact O-N 3.21Å; R322-A325 VanDerWaalsContact O-N 3.17Å; A325-E327 PolarHBondContact O-N 2.94Å; A325-V330 HydrophobicContact CB-CG2 4.31Å |
| 326 | N | 92.1 | Very high | 92.1 | Very high | 103 Ų | 103 | 61 Ų | 61 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | trans | -78.6 | 110.4 | 175.2 | -177.7 | -18.8 | 0 | 0 | 0 | 109.7 | Q328 L329 V330 | N326-Q328 VanDerWaalsContact C-N 3.3Å; N326-Q328 PolarHBondContact O-N 2.97Å; N326-Q328 PolarHBondContact OD1-N 3.26Å; N326-Q328 VanDerWaalsContact OD1-N 3.16Å; N326-L329 HydrophobicContact CB-CB 3.94Å; N326-L329 PolarHBondContact O-N 3.26Å; N326-L329 VanDerWaalsContact O-N 3.15Å; N326-L329 PolarHBondContact OD1-N 2.95Å; N326-V330 WeakPolarHBondContact O-CG2 3.48Å; N326-V330 PolarHBondContact O-N 3.43Å | ||
| 327 | E | 91.6 | Very high | 91.9 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53 | -44.9 | -177.9 | -66 | 169.4 | -143.4 | 0 | 0 | 112.6 | A325 L329 V330 L331 V349 K351 | A325-E327 PolarHBondContact O-N 2.94Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 2.9Å; E327-V330 PolarHBondContact O-N 3.23Å; E327-L331 VanDerWaalsContact O-CB 3.3Å; E327-L331 WeakPolarHBondContact O-CB 3.31Å; E327-L331 PolarHBondContact O-N 2.96Å; E327-V349 HydrophobicContact CB-CG1 4.06Å; E327-V349 HydrophobicContact CG-CG1 4.05Å; E327-K351 HydrophobicContact CG-CD 4.34Å; E327-K351 HydrophobicContact CG-CG 4.12Å; E327-K351 WeakPolarHBondContact OE1-CD 3.27Å; E327-K351 WeakPolarHBondContact OE1-CE 3.23Å; E327-K351 WeakPolarHBondContact OE1-CG 3.3Å; E327-K351 IonicContact OE1-NZ 2.66Å; E327-K351 PolarHBondContact OE1-NZ 2.99Å |
| 328 | Q | 92.4 | Very high | 91.8 | Very high | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.2 | -34.9 | -177.1 | -167.3 | 64.5 | 15.9 | 0 | 0 | 112 | N326 A332 | N326-Q328 VanDerWaalsContact C-N 3.3Å; N326-Q328 PolarHBondContact O-N 2.97Å; N326-Q328 PolarHBondContact OD1-N 3.26Å; N326-Q328 VanDerWaalsContact OD1-N 3.16Å; Q328-A332 WeakPolarHBondContact O-CB 3.47Å; Q328-A332 PolarHBondContact O-N 3.46Å |
| 329 | L | 92.2 | Very high | 91.6 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.5 | -45.5 | 176.8 | -170.4 | 153.8 | 0 | 0 | 0 | 110.1 | N326 E327 A332 H333 | N326-L329 HydrophobicContact CB-CB 3.94Å; N326-L329 PolarHBondContact O-N 3.26Å; N326-L329 VanDerWaalsContact O-N 3.15Å; N326-L329 PolarHBondContact OD1-N 2.95Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 2.9Å; L329-A332 PolarHBondContact O-N 2.91Å; L329-H333 WeakPolarHBondContact CD2-CE1 3.46Å; L329-H333 VanDerWaalsContact CD2-ND1 3.29Å; L329-H333 WeakPolarHBondContact CD2-ND1 3.44Å; L329-H333 PolarHBondContact O-N 2.82Å; L329-H333 PolarHBondContact O-ND1 2.95Å |
| 330 | V | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | V297 V319 V321 A325 N326 E327 A332 H333 V334 | V297-V330 HydrophobicContact CG2-CG1 3.48Å; V297-V330 VanDerWaalsContact CG2-CG1 3.48Å; V319-V330 HydrophobicContact CG1-CG1 4.15Å; V321-V330 HydrophobicContact CG1-CB 4.47Å; V321-V330 HydrophobicContact CG1-CG2 3.98Å; V321-V330 HydrophobicContact CG2-CB 4.17Å; V321-V330 HydrophobicContact CG2-CG1 3.71Å; V321-V330 HydrophobicContact CG2-CG2 4.44Å; A325-V330 HydrophobicContact CB-CG2 4.31Å; N326-V330 WeakPolarHBondContact O-CG2 3.48Å; N326-V330 PolarHBondContact O-N 3.43Å; E327-V330 PolarHBondContact O-N 3.23Å; V330-A332 VanDerWaalsContact C-N 3.34Å; V330-A332 PolarHBondContact O-N 2.77Å; V330-H333 PolarHBondContact O-N 3.42Å; V330-V334 HydrophobicContact CG1-CG2 4.03Å; V330-V334 WeakPolarHBondContact O-CB 3.4Å; V330-V334 VanDerWaalsContact O-CG2 3.3Å; V330-V334 WeakPolarHBondContact O-CG2 3.37Å; V330-V334 PolarHBondContact O-N 2.99Å |
| 331 | L | 93.2 | Very high | 91.1 | Very high | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.3 | -49 | 175.5 | 178.4 | 61.3 | 0 | 0 | 0 | 111.5 | E327 H333 T335 I347 V349 | E327-L331 VanDerWaalsContact O-CB 3.3Å; E327-L331 WeakPolarHBondContact O-CB 3.31Å; E327-L331 PolarHBondContact O-N 2.96Å; L331-H333 PolarHBondContact O-N 3.24Å; L331-T335 WeakPolarHBondContact O-CB 3.42Å; L331-T335 PolarHBondContact O-N 3.45Å; L331-T335 PolarHBondContact O-OG1 2.88Å; L331-I347 HydrophobicContact CD1-CB 3.55Å; L331-I347 HydrophobicContact CD1-CD1 4.26Å; L331-I347 HydrophobicContact CD1-CG1 4.37Å; L331-I347 HydrophobicContact CD1-CG2 3.75Å; L331-V349 HydrophobicContact CB-CG2 4.05Å; L331-V349 HydrophobicContact CD1-CG2 4.07Å |
| 332 | A | 93 | Very high | 90.9 | Very high | 53 Ų | 53 | 67 Ų | 67 | 44% | 0.438 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q328 L329 V330 N336 | Q328-A332 WeakPolarHBondContact O-CB 3.47Å; Q328-A332 PolarHBondContact O-N 3.46Å; L329-A332 PolarHBondContact O-N 2.91Å; V330-A332 VanDerWaalsContact C-N 3.34Å; V330-A332 PolarHBondContact O-N 2.77Å; A332-N336 VanDerWaalsContact O-CB 3.27Å; A332-N336 WeakPolarHBondContact O-CB 3.35Å; A332-N336 PolarHBondContact O-N 3.04Å |
| 333 | H | 92.3 | Very high | 90.6 | Very high | 88 Ų | 88 | 67 Ų | 67 | 41% | 0.407 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.7 | -46.7 | 179.2 | -77 | 79.2 | 0 | 0 | 0 | 112.2 | V294 L329 V330 L331 N336 R337 | V294-H333 HydrophobicContact CG1-CB 3.71Å; V294-H333 HydrophobicContact CG2-CB 4.39Å; L329-H333 WeakPolarHBondContact CD2-CE1 3.46Å; L329-H333 VanDerWaalsContact CD2-ND1 3.29Å; L329-H333 WeakPolarHBondContact CD2-ND1 3.44Å; L329-H333 PolarHBondContact O-N 2.82Å; L329-H333 PolarHBondContact O-ND1 2.95Å; V330-H333 PolarHBondContact O-N 3.42Å; L331-H333 PolarHBondContact O-N 3.24Å; H333-N336 PolarHBondContact O-N 2.78Å; H333-R337 WeakPolarHBondContact O-CG 3.45Å; H333-R337 PolarHBondContact O-N 3.39Å |
| 334 | V | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.6 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | A291 V297 V319 V330 N336 R337 L338 I347 | A291-V334 HydrophobicContact CB-CG1 4.22Å; V297-V334 HydrophobicContact CG2-CG2 3.98Å; V319-V334 HydrophobicContact CG2-CG1 4.24Å; V330-V334 HydrophobicContact CG1-CG2 4.03Å; V330-V334 WeakPolarHBondContact O-CB 3.4Å; V330-V334 VanDerWaalsContact O-CG2 3.3Å; V330-V334 WeakPolarHBondContact O-CG2 3.37Å; V330-V334 PolarHBondContact O-N 2.99Å; V334-N336 PolarHBondContact O-N 3.02Å; V334-R337 PolarHBondContact O-N 3.28Å; V334-L338 HydrophobicContact CG1-CD1 3.82Å; V334-L338 PolarHBondContact O-N 3.34Å; V334-L338 VanDerWaalsContact O-N 3.11Å; V334-I347 HydrophobicContact CB-CD1 4.32Å; V334-I347 HydrophobicContact CG1-CD1 3.76Å |
| 335 | T | 93.3 | Very high | 90.7 | Very high | 48 Ų | 48 | 60.4 Ų | 60.4 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 111 | L331 R337 L338 S339 I347 | L331-T335 WeakPolarHBondContact O-CB 3.42Å; L331-T335 PolarHBondContact O-N 3.45Å; L331-T335 PolarHBondContact O-OG1 2.88Å; T335-R337 PolarHBondContact O-N 3.45Å; T335-L338 PolarHBondContact O-N 3.44Å; T335-S339 WeakPolarHBondContact O-CA 3.38Å; T335-S339 WeakPolarHBondContact O-CB 3.25Å; T335-S339 PolarHBondContact O-N 2.9Å; T335-S339 PolarHBondContact O-OG 3.06Å; T335-S339 VanDerWaalsContact O-OG 3.06Å; T335-I347 WeakPolarHBondContact OG1-CD1 3.31Å |
| 336 | N | 92.8 | Very high | 90.9 | Very high | 106 Ų | 106 | 64 Ų | 64 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.6 | -29.8 | -178.6 | -171.2 | 21.4 | 0 | 0 | 0 | 113.3 | A332 H333 V334 S339 | A332-N336 VanDerWaalsContact O-CB 3.27Å; A332-N336 WeakPolarHBondContact O-CB 3.35Å; A332-N336 PolarHBondContact O-N 3.04Å; H333-N336 PolarHBondContact O-N 2.78Å; V334-N336 PolarHBondContact O-N 3.02Å; N336-S339 PolarHBondContact O-OG 3.25Å |
| 337 | R | 89.6 | Confident | 91 | Very high | 121 Ų | 121 | 60 Ų | 60 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -72.9 | -47.8 | 175.4 | -68 | -68.6 | 177 | -111.8 | 1 | 111.4 | H333 V334 T335 S340 | H333-R337 WeakPolarHBondContact O-CG 3.45Å; H333-R337 PolarHBondContact O-N 3.39Å; V334-R337 PolarHBondContact O-N 3.28Å; T335-R337 PolarHBondContact O-N 3.45Å; R337-S340 PolarHBondContact O-OG 3.19Å |
| 338 | L | 90.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -82.4 | -25.5 | -174.3 | -71.1 | 167.1 | 0 | 0 | 0 | 113.7 | A287 L288 A291 L317 V334 T335 S340 L341 V342 L345 | A287-L338 HydrophobicContact CB-CD2 4.08Å; L288-L338 HydrophobicContact CD2-CD1 4.35Å; L288-L338 HydrophobicContact CD2-CD2 3.93Å; L288-L338 HydrophobicContact CG-CD2 4.26Å; A291-L338 HydrophobicContact CB-CD1 4.41Å; A291-L338 HydrophobicContact CB-CG 4.44Å; L317-L338 HydrophobicContact CD2-CD1 3.24Å; V334-L338 HydrophobicContact CG1-CD1 3.82Å; V334-L338 PolarHBondContact O-N 3.34Å; V334-L338 VanDerWaalsContact O-N 3.11Å; T335-L338 PolarHBondContact O-N 3.44Å; L338-S340 PolarHBondContact O-N 2.99Å; L338-S340 VanDerWaalsContact O-N 3.1Å; L338-L341 PolarHBondContact O-N 3.34Å; L338-V342 PolarHBondContact O-N 3.2Å; L338-L345 HydrophobicContact CB-CD2 3.41Å; L338-L345 VanDerWaalsContact CB-CD2 3.41Å; L338-L345 HydrophobicContact CD1-CD2 4.25Å; L338-L345 HydrophobicContact CG-CD2 4.49Å |
| 339 | S | 90 | Very high | 91.1 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18 | 179.7 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | T335 N336 L341 | T335-S339 WeakPolarHBondContact O-CA 3.38Å; T335-S339 WeakPolarHBondContact O-CB 3.25Å; T335-S339 PolarHBondContact O-N 2.9Å; T335-S339 PolarHBondContact O-OG 3.06Å; T335-S339 VanDerWaalsContact O-OG 3.06Å; N336-S339 PolarHBondContact O-OG 3.25Å; S339-L341 VanDerWaalsContact C-N 3.31Å |
| 340 | S | 88 | Confident | 91 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 66% | 0.664 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.3 | 174.5 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | R337 L338 | R337-S340 PolarHBondContact O-OG 3.19Å; L338-S340 PolarHBondContact O-N 2.99Å; L338-S340 VanDerWaalsContact O-N 3.1Å |
| 341 | L | 87.6 | Confident | 90.8 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -38.2 | 176.9 | -67 | 100.4 | 0 | 0 | 0 | 112.9 | P283 A287 L338 S339 | P283-L341 HydrophobicContact CB-CD2 3.65Å; A287-L341 HydrophobicContact CB-CD1 3.61Å; L338-L341 PolarHBondContact O-N 3.34Å; S339-L341 VanDerWaalsContact C-N 3.31Å |
| 342 | V | 88 | Confident | 90.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | trans | -109 | 108.9 | -173.7 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | L284 I305 L313 L338 L345 | L284-V342 HydrophobicContact CD1-CG2 4.46Å; I305-V342 HydrophobicContact CD1-CG2 4.34Å; I305-V342 HydrophobicContact CG2-CG2 4.18Å; L313-V342 HydrophobicContact CB-CB 4.46Å; L313-V342 HydrophobicContact CB-CG1 4.31Å; L313-V342 HydrophobicContact CB-CG2 4.26Å; L313-V342 HydrophobicContact CD1-CG2 4.43Å; L313-V342 WeakPolarHBondContact O-CG1 3.48Å; L338-V342 PolarHBondContact O-N 3.2Å; V342-L345 HydrophobicContact CB-CB 4.39Å; V342-L345 HydrophobicContact CB-CD1 4.31Å; V342-L345 HydrophobicContact CG1-CB 4.07Å; V342-L345 HydrophobicContact CG1-CD1 4.06Å | ||
| 343 | K | 86.7 | Confident | 89.5 | Confident | 105 Ų | 105 | 62.2 Ų | 62.2 | 46% | 0.457 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -68 | -42.7 | -178.4 | 179.8 | 179.6 | 173.2 | -171.5 | 0 | 112.1 | E106 D312 L313 | E106-K343 IonicContact OE1-NZ 2.66Å; D312-K343 HydrophobicContact CB-CD 4.05Å; D312-K343 VanDerWaalsContact OD1-CD 3.29Å; D312-K343 WeakPolarHBondContact OD1-CD 3.46Å; D312-K343 IonicContact OD1-NZ 3.09Å; D312-K343 WeakPolarHBondContact OD2-CD 3.46Å; D312-K343 IonicContact OD2-NZ 3.27Å; D312-K343 PolarHBondContact OD2-NZ 3.38Å; L313-K343 PolarHBondContact O-N 2.85Å |
| 344 | Y | 87.7 | Confident | 87.9 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 82.6 | -180 | -58.2 | -74.1 | 0 | 0 | 0 | 109.8 | L103 T308 L313 A314 G315 | L103-Y344 HydrophobicContact CD2-CD1 4.21Å; L103-Y344 HydrophobicContact CD2-CG 4.13Å; T308-Y344 HydrophobicContact CG2-CD2 4.48Å; L313-Y344 PolarHBondContact O-N 3.04Å; A314-Y344 CarbonylContact C-O 3.48Å; A314-Y344 VanDerWaalsContact CA-O 3.26Å; A314-Y344 WeakPolarHBondContact CA-O 3.2Å; A314-Y344 HydrophobicContact CB-CD2 4.46Å; G315-Y344 PolarHBondContact N-O 3.34Å |
| 345 | L | 91.2 | Very high | 86.2 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 18% | 0.183 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.3 | -175.8 | -174.6 | 64.9 | 0 | 0 | 0 | 111.3 | G315 L317 L338 V342 I347 | G315-L345 WeakPolarHBondContact O-CA 3.24Å; L317-L345 HydrophobicContact CD2-CD1 4.08Å; L338-L345 HydrophobicContact CB-CD2 3.41Å; L338-L345 VanDerWaalsContact CB-CD2 3.41Å; L338-L345 HydrophobicContact CD1-CD2 4.25Å; L338-L345 HydrophobicContact CG-CD2 4.49Å; V342-L345 HydrophobicContact CB-CB 4.39Å; V342-L345 HydrophobicContact CB-CD1 4.31Å; V342-L345 HydrophobicContact CG1-CB 4.07Å; V342-L345 HydrophobicContact CG1-CD1 4.06Å; L345-I347 HydrophobicContact CD1-CG1 4.31Å; L345-I347 HydrophobicContact CD2-CD1 3.68Å; L345-I347 HydrophobicContact CD2-CG1 3.97Å; L345-I347 HydrophobicContact CG-CD1 4.08Å; L345-I347 HydrophobicContact CG-CG1 3.78Å |
| 346 | T | 92.5 | Very high | 84.2 | Confident | 87 Ų | 87 | 81 Ų | 81 | 53% | 0.534 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.5 | 171.3 | 53.1 | 0 | 0 | 0 | 0 | 108.9 | G315 S316 L317 | G315-T346 PolarHBondContact O-N 3.33Å; G315-T346 PolarHBondContact O-OG1 2.89Å; G315-T346 VanDerWaalsContact O-OG1 3.11Å; S316-T346 VanDerWaalsContact CA-O 3.28Å; S316-T346 WeakPolarHBondContact CA-O 3.08Å; S316-T346 WeakPolarHBondContact CA-OG1 3.34Å; S316-T346 VanDerWaalsContact CB-OG1 3.26Å; S316-T346 WeakPolarHBondContact CB-OG1 3.39Å; L317-T346 PolarHBondContact N-O 2.92Å |
| 347 | I | 93.7 | Very high | 82 | Confident | 20 Ų | 20 | 80.3 Ų | 80.3 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 117.3 | -176.9 | -51.1 | -173 | 0 | 0 | 0 | 107.8 | L317 V319 L331 V334 T335 L345 V349 | L317-I347 HydrophobicContact CD1-CG2 3.91Å; L317-I347 HydrophobicContact CD2-CD1 4.23Å; L317-I347 HydrophobicContact CD2-CG1 4.09Å; L317-I347 HydrophobicContact CG-CB 4.49Å; L317-I347 HydrophobicContact CG-CG1 4.16Å; L317-I347 HydrophobicContact CG-CG2 4.12Å; L317-I347 WeakPolarHBondContact O-CA 3.31Å; V319-I347 HydrophobicContact CG2-CG2 3.42Å; V319-I347 VanDerWaalsContact CG2-CG2 3.42Å; L331-I347 HydrophobicContact CD1-CB 3.55Å; L331-I347 HydrophobicContact CD1-CD1 4.26Å; L331-I347 HydrophobicContact CD1-CG1 4.37Å; L331-I347 HydrophobicContact CD1-CG2 3.75Å; V334-I347 HydrophobicContact CB-CD1 4.32Å; V334-I347 HydrophobicContact CG1-CD1 3.76Å; T335-I347 WeakPolarHBondContact OG1-CD1 3.31Å; L345-I347 HydrophobicContact CD1-CG1 4.31Å; L345-I347 HydrophobicContact CD2-CD1 3.68Å; L345-I347 HydrophobicContact CD2-CG1 3.97Å; L345-I347 HydrophobicContact CG-CD1 4.08Å; L345-I347 HydrophobicContact CG-CG1 3.78Å; I347-V349 HydrophobicContact CG2-CG2 4.37Å |
| 348 | Q | 93.7 | Very high | 79.7 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.8 | 173 | 160.6 | 176.3 | 15.4 | 0 | 0 | 109.5 | L317 Y318 V319 | L317-Q348 PolarHBondContact O-N 3.4Å; Y318-Q348 WeakPolarHBondContact CA-O 3.43Å; Y318-Q348 HydrophobicContact CD1-CB 3.62Å; Y318-Q348 HydrophobicContact CD1-CG 3.86Å; Y318-Q348 HydrophobicContact CE1-CB 3.78Å; Y318-Q348 HydrophobicContact CE1-CG 4.01Å; V319-Q348 PolarHBondContact N-O 3.21Å |
| 349 | V | 92 | Very high | 77.1 | Confident | 30 Ų | 30 | 87.4 Ų | 87.4 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.3 | -179.4 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | V319 V321 E327 L331 I347 | V319-V349 HydrophobicContact CB-CG2 4.34Å; V319-V349 WeakPolarHBondContact O-CA 3.3Å; V321-V349 HydrophobicContact CB-CG1 4.05Å; V321-V349 HydrophobicContact CG2-CG1 3.49Å; V321-V349 VanDerWaalsContact CG2-CG1 3.49Å; E327-V349 HydrophobicContact CB-CG1 4.06Å; E327-V349 HydrophobicContact CG-CG1 4.05Å; L331-V349 HydrophobicContact CB-CG2 4.05Å; L331-V349 HydrophobicContact CD1-CG2 4.07Å; I347-V349 HydrophobicContact CG2-CG2 4.37Å |
| 350 | Y | 91 | Very high | 74.7 | Confident | 64 Ų | 64 | 89.6 Ų | 89.6 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.3 | 171.7 | 64.1 | -81.3 | 0 | 0 | 0 | 110.7 | Q301 V319 R320 V321 | Q301-Y350 WeakPolarHBondContact CG-OH 3.14Å; Q301-Y350 PolarHBondContact NE2-OH 3Å; Q301-Y350 PolarHBondContact OE1-OH 3.04Å; V319-Y350 WeakPolarHBondContact O-CD1 3.33Å; V319-Y350 PolarHBondContact O-N 3.4Å; R320-Y350 WeakPolarHBondContact CA-O 3.34Å; R320-Y350 HydrophobicContact CB-CD2 4.32Å; R320-Y350 HydrophobicContact CB-CE1 4.05Å; R320-Y350 HydrophobicContact CB-CE2 3.59Å; R320-Y350 VanDerWaalsContact CB-CZ 3.43Å; R320-Y350 WeakPolarHBondContact CB-OH 3.32Å; R320-Y350 HydrophobicContact CG-CD2 4.03Å; R320-Y350 HydrophobicContact CG-CE2 3.42Å; R320-Y350 VanDerWaalsContact CG-CE2 3.42Å; V321-Y350 PolarHBondContact N-O 3.15Å |
| 351 | K | 88.8 | Confident | 72.3 | Confident | 83 Ų | 83 | 94.9 Ų | 94.9 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 149.1 | 174 | -84.5 | -177.6 | 169.7 | 142.9 | 0 | 110.9 | E327 D353 | E327-K351 HydrophobicContact CG-CD 4.34Å; E327-K351 HydrophobicContact CG-CG 4.12Å; E327-K351 WeakPolarHBondContact OE1-CD 3.27Å; E327-K351 WeakPolarHBondContact OE1-CE 3.23Å; E327-K351 WeakPolarHBondContact OE1-CG 3.3Å; E327-K351 IonicContact OE1-NZ 2.66Å; E327-K351 PolarHBondContact OE1-NZ 2.99Å; K351-D353 PolarHBondContact O-N 3.39Å |
| 352 | D | 82.7 | Confident | 70.1 | Confident | 33 Ų | 33 | 99.9 Ų | 99.9 | 18% | 0.176 | 51% | 0.505 | C | S | . | . | trans | -71 | 108.3 | 177.7 | -169.2 | 33.3 | 0 | 0 | 0 | 112.7 | L298 R320 V321 R323 | L298-D352 HydrophobicContact CD1-CB 3.87Å; R320-D352 HydrophobicContact CG-CB 4.46Å; R320-D352 IonicContact CZ-OD1 3.57Å; R320-D352 IonicContact NE-OD1 3.63Å; R320-D352 PolarHBondContact NE-OD1 2.94Å; R320-D352 IonicContact NE-OD2 3.51Å; R320-D352 IonicContact NH2-OD1 2.72Å; R320-D352 PolarHBondContact NH2-OD1 3.08Å; R320-D352 IonicContact NH2-OD2 2.78Å; R320-D352 PolarHBondContact NH2-OD2 3.49Å; V321-D352 PolarHBondContact O-N 3.4Å; V321-D352 VanDerWaalsContact O-N 3.11Å; R323-D352 WeakPolarHBondContact CG-O 3.42Å; R323-D352 PolarHBondContact NE-O 2.87Å; R323-D352 PolarHBondContact NH2-O 3.32Å | ||
| 353 | D | 75.7 | Confident | 67.6 | Low | 105 Ų | 105 | 109.1 Ų | 109.1 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | trans | -92.3 | 115.7 | 173.1 | -75.1 | -31.4 | 0 | 0 | 0 | 111.2 | R323 K351 T355 R356 | R323-D353 VanDerWaalsContact NH2-CA 3.34Å; K351-D353 PolarHBondContact O-N 3.39Å; D353-T355 PolarHBondContact O-N 3.26Å; D353-R356 PolarHBondContact O-N 2.9Å | ||
| 354 | W | 57.2 | Low | 65 | Low | 192 Ų | 192 | 111.2 Ų | 111.2 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -54.9 | -15.7 | 177.8 | -71.7 | 119 | 0 | 0 | 0 | 113.3 | R323 R356 | R323-W354 VanDerWaalsContact NE-NE1 3.19Å; W354-R356 PolarHBondContact O-N 3.37Å |
| 355 | T | 57.2 | Low | 62.4 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 72% | 0.718 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -80.8 | -7.1 | -171.9 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | D353 | D353-T355 PolarHBondContact O-N 3.26Š|
| 356 | R | 52.4 | Low | 59.8 | Low | 222 Ų | 222 | 122.2 Ų | 122.2 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -96 | -1.3 | -178.1 | -89.6 | -172.4 | -176.1 | 169.7 | 4.3 | 116.7 | D353 W354 T358 | D353-R356 PolarHBondContact O-N 2.9Å; W354-R356 PolarHBondContact O-N 3.37Å; R356-T358 PolarHBondContact O-N 3.2Å |
| 357 | A | 45.4 | Very low | 57 | Low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -87.9 | 14.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 358 | T | 42.3 | Very low | 54.2 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 76% | 0.761 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -145.7 | 0.2 | -177.5 | -1.3 | 0 | 0 | 0 | 0 | 118.4 | R356 | R356-T358 PolarHBondContact O-N 3.2Š|
| 359 | N | 35.2 | Very low | 51.3 | Low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | trans | -124.1 | 15.2 | -175.1 | -88.4 | -9.1 | 0 | 0 | 0 | 116.5 | F361 | N359-F361 PolarHBondContact O-N 2.98Å; N359-F361 VanDerWaalsContact O-N 3.13Å | ||
| 360 | S | 40.6 | Very low | 48.5 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 76.9 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 361 | F | 36.7 | Very low | 45.8 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 90% | 0.899 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | 16.2 | 148 | -129.2 | -84.3 | 0 | 0 | 0 | 114.8 | N359 | N359-F361 PolarHBondContact O-N 2.98Å; N359-F361 VanDerWaalsContact O-N 3.13Å |
| 362 | I | 40.6 | Very low | 43 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -126.8 | 94.2 | 171.9 | -52.9 | -178.8 | 0 | 0 | 0 | 109.2 | N364 | I362-N364 PolarHBondContact O-N 3.18Š| ||
| 363 | M | 35.7 | Very low | 40.6 | Very low | 194 Ų | 194 | 148 Ų | 148 | 96% | 0.956 | 78% | 0.782 | S | S | * | * | trans | -61.9 | 110 | 161.1 | -93.4 | 179.6 | 172.2 | 0 | 0 | 108.3 | ||||
| 364 | N | 32.9 | Very low | 38.5 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -131.9 | 103.8 | 154.9 | -150.5 | 13.1 | 0 | 0 | 0 | 108.6 | I362 | I362-N364 PolarHBondContact O-N 3.18Š| ||
| 365 | W | 32.8 | Very low | 37.3 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | -89 | 120.5 | 176.6 | -129.6 | 76.3 | 0 | 0 | 0 | 107.7 | P367 | W365-P367 HydrophobicContact CZ3-CG 4.35Š| ||
| 366 | S | 36.6 | Very low | 36.2 | Very low | 105 Ų | 105 | 150.8 Ų | 150.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -144.8 | 115 | 160.8 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 367 | P | 33.7 | Very low | 35.4 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | trans | -82.4 | 151.6 | 172 | 33.2 | -28.6 | 0 | 0 | 0 | 110.2 | W365 | W365-P367 HydrophobicContact CZ3-CG 4.35Š| ||
| 368 | A | 34.6 | Very low | 34.9 | Very low | 86 Ų | 86 | 149.9 Ų | 149.9 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 74.9 | 102.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 369 | N | 32.4 | Very low | 34.5 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | 162.9 | 108.5 | 128.5 | -82.1 | -20 | 0 | 0 | 0 | 107.8 | |||||
| 370 | N | 34.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 179.3 | 70.4 | 143.8 | -85.7 | -16.6 | 0 | 0 | 0 | 109.1 | ||||
| 371 | A | 33.2 | Very low | 34.1 | Very low | 96 Ų | 96 | 150.7 Ų | 150.7 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -76.9 | 105.4 | 143 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 372 | L | 30.3 | Very low | 34.1 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | 151 | 97.4 | 157.5 | -89.4 | 151.4 | 0 | 0 | 0 | 109.7 | ||||
| 373 | Y | 32.5 | Very low | 33.6 | Very low | 215 Ų | 215 | 151.9 Ų | 151.9 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -156.8 | 92.2 | 142.5 | -133.7 | -92.3 | 0 | 0 | 0 | 109.5 | ||||
| 374 | N | 31.3 | Very low | 33.5 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -135.2 | 89.3 | 158.4 | -156.4 | 11.1 | 0 | 0 | 0 | 106.9 | ||||
| 375 | Q | 32.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | trans | -142.3 | 113 | 167.6 | -81.8 | -170.6 | -15.1 | 0 | 0 | 106.5 | ||||
| 376 | N | 32.9 | Very low | 33.8 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | 173.7 | 84.1 | 147.3 | -86 | -15.9 | 0 | 0 | 0 | 110.2 | ||||
| 377 | I | 36.9 | Very low | 33.5 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 130.1 | 147.3 | -55.5 | -178.2 | 0 | 0 | 0 | 107.5 | ||||
| 378 | P | 35.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -88.5 | 135.1 | -170.4 | 8.7 | 9.3 | 0 | 0 | 0 | 114 | ||||
| 379 | G | 32.8 | Very low | 33.7 | Very low | 72 Ų | 72 | 152.4 Ų | 152.4 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 21.9 | 119.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 380 | T | 35.1 | Very low | 33.8 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | -149.3 | 139.3 | 127.6 | -19.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 381 | Q | 33.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -81.6 | 170.6 | -163.2 | -71.9 | -174.8 | -25.6 | 0 | 0 | 115.4 | ||||
| 382 | I | 35.5 | Very low | 33.9 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 88.6 | 132.3 | 155.2 | -57.3 | 133 | 0 | 0 | 0 | 114.1 | ||||
| 383 | R | 31.4 | Very low | 34.3 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | cis | -174.8 | 148.8 | -14.2 | -179.1 | 174.8 | -170.5 | -173 | 3.7 | 104.1 | ||||
| 384 | P | 32.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | trans | -88.1 | 170.8 | -167.2 | 35.1 | -33.9 | 0 | 0 | 0 | 114.1 | ||||
| 385 | D | 35.7 | Very low | 35 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 108.1 | 101.8 | 165.6 | -59.6 | -28.8 | 0 | 0 | 0 | 116.5 | ||||
| 386 | L | 35.2 | Very low | 35.1 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | 179.7 | 130.5 | 112 | -118.1 | 84.3 | 0 | 0 | 0 | 111.4 | |||||
| 387 | K | 30.5 | Very low | 35.3 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 140.5 | 164.9 | -66.9 | 169.2 | 174.6 | 176.2 | 0 | 109.6 | ||||
| 388 | H | 36.9 | Very low | 35.2 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 176.6 | 120.3 | 130.6 | -102.4 | -72.1 | 0 | 0 | 0 | 113.9 | ||||
| 389 | S | 35.6 | Very low | 35.4 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | 52.7 | 116.4 | 137 | 54.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 390 | L | 35.4 | Very low | 35.4 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | 51.3 | 163.8 | 123.2 | -79.6 | 119.7 | 0 | 0 | 0 | 121.4 | |||||
| 391 | P | 37.2 | Very low | 35.3 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | -143 | 179.3 | -50.9 | 39.4 | -19.6 | 0 | 0 | 0 | 115.4 | |||||
| 392 | S | 31.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | 59 | 122 | 145.2 | 64.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 393 | S | 38.6 | Very low | 35 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | 177.4 | 132.3 | 123.4 | 55.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 394 | L | 37.6 | Very low | 34.9 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -71.6 | 169.3 | 165 | -83 | 127.5 | 0 | 0 | 0 | 112 | ||||
| 395 | P | 41.1 | Very low | 34.9 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | -147.8 | 164.7 | 111.9 | 33.6 | -15.1 | 0 | 0 | 0 | 116.3 | |||||
| 396 | A | 34.9 | Very low | 34.6 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -113.5 | 147.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 397 | S | 38 | Very low | 34.3 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 179.2 | 111 | 153.6 | -155.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 398 | A | 35.2 | Very low | 34.3 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | 73.7 | 117.5 | 91.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 399 | S | 38.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | 168.2 | 144.8 | 123.9 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 400 | H | 32.8 | Very low | 33.6 | Very low | 182 Ų | 182 | 150 Ų | 150 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -54.7 | 150.3 | -176 | -73.8 | -88.1 | 0 | 0 | 0 | 119.6 | ||||
| 401 | H | 33.2 | Very low | 33.5 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | -159.4 | 131.4 | 129.4 | -122.9 | -77.5 | 0 | 0 | 0 | 112.6 | |||||
| 402 | K | 30.2 | Very low | 33.1 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | -87.2 | 141.5 | 171.5 | -100 | 176.5 | 171.9 | 176.9 | 0 | 109.7 | ||||
| 403 | T | 33.1 | Very low | 33.3 | Very low | 144 Ų | 144 | 154 Ų | 154 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -160.5 | 139.2 | 132.1 | -40 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 404 | Q | 27.7 | Very low | 33.1 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -71.7 | 148.7 | 179.6 | -73.5 | 162.3 | -59.3 | 0 | 0 | 114 | ||||
| 405 | E | 33.1 | Very low | 33 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -169.6 | 123.8 | 133.7 | -111.3 | 172.9 | 175 | 0 | 0 | 112.7 | ||||
| 406 | N | 29.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 150.7 Ų | 150.7 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | trans | 18.6 | 127.1 | 145.8 | -63.4 | -22.6 | 0 | 0 | 0 | 117.9 | ||||
| 407 | S | 28.8 | Very low | 32.8 | Very low | 99 Ų | 99 | 154.3 Ų | 154.3 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | 161.1 | 159.1 | 65.1 | 37.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 408 | Y | 29.7 | Very low | 32.8 | Very low | 226 Ų | 226 | 157.6 Ų | 157.6 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | 80.5 | 110.4 | 168.4 | -70.1 | -83.3 | 0 | 0 | 0 | 120.2 | ||||
| 409 | Q | 28.4 | Very low | 32.8 | Very low | 197 Ų | 197 | 159.9 Ų | 159.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 121.2 | 165.4 | -75.6 | 171.5 | -61.6 | 0 | 0 | 110.4 | ||
| 410 | E | 31.3 | Very low | 32.8 | Very low | 186 Ų | 186 | 163.4 Ų | 163.4 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 137.8 | 165.5 | -98.1 | -180 | 153.9 | 0 | 0 | 111.1 | ||
| 411 | P | 32.4 | Very low | 32.9 | Very low | 116 Ų | 116 | 162.2 Ų | 162.2 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 130.1 | 169.9 | 13.9 | -2 | 0 | 0 | 0 | 111 | V413 | P411-V413 PolarHBondContact O-N 2.79Š|
| 412 | Q | 29 | Very low | 32.9 | Very low | 200 Ų | 200 | 160.6 Ų | 160.6 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60 | 118.8 | 178.3 | -64.7 | -142.8 | -33.7 | 0 | 0 | 112.7 | ||
| 413 | V | 34.7 | Very low | 33 | Very low | 138 Ų | 138 | 158.9 Ų | 158.9 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 125 | 168.3 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | P411 | P411-V413 PolarHBondContact O-N 2.79Š|
| 414 | N | 34.7 | Very low | 33 | Very low | 117 Ų | 117 | 159.8 Ų | 159.8 | 63% | 0.626 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 127 | -178 | -173.6 | -2 | 0 | 0 | 0 | 113 | N416 | N414-N416 PolarHBondContact O-N 2.88Š|
| 415 | P | 35.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 158.5 Ų | 158.5 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -78.5 | 28.8 | -170.1 | 32 | -36 | 0 | 0 | 0 | 115.8 | ||
| 416 | N | 37.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 157 Ų | 157 | 63% | 0.631 | 81% | 0.812 | S | S | * | * | trans | -104.3 | 21.2 | -175.6 | -77.6 | -23.1 | 0 | 0 | 0 | 115.4 | N414 | N414-N416 PolarHBondContact O-N 2.88Š| ||
| 417 | H | 35.4 | Very low | 33.6 | Very low | 175 Ų | 175 | 157.8 Ų | 157.8 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -100.7 | 88.5 | 170.7 | -125.1 | 64.7 | 0 | 0 | 0 | 109.7 | I419 | H417-I419 PolarHBondContact O-N 3.32Å; H417-I419 VanDerWaalsContact O-N 3.16Å | ||
| 418 | Y | 37.7 | Very low | 33.9 | Very low | 187 Ų | 187 | 162 Ų | 162 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | trans | -71.9 | 103.6 | 166.1 | -75.1 | -83.6 | 0 | 0 | 0 | 108.4 | ||||
| 419 | I | 36 | Very low | 34.3 | Very low | 137 Ų | 137 | 157.1 Ų | 157.1 | 70% | 0.703 | 82% | 0.818 | S | S | * | * | trans | -77.7 | 113.5 | 162.9 | -60.8 | 172.8 | 0 | 0 | 0 | 106 | H417 | H417-I419 PolarHBondContact O-N 3.32Å; H417-I419 VanDerWaalsContact O-N 3.16Å | ||
| 420 | Y | 38.6 | Very low | 34.8 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -97.6 | 129.3 | 160.1 | -81.7 | -83.4 | 0 | 0 | 0 | 108.1 | ||||
| 421 | A | 34.2 | Very low | 35.1 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 100% | 1.289 | 80% | 0.804 | S | S | * | * | trans | -62.8 | 0 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 421 of 421 residues in 189.8 ms
(Link to these results)