| 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 | 43.4 | Very low | 71.2 | Confident | 195 Ų | 195 | 89.5 Ų | 89.5 | 96% | 0.961 | 50% | 0.504 | S | S | * | . | 0 | 115.3 | 0 | -76.7 | 167.9 | 166.9 | 0 | 0 | 108.3 | H3 | M1-H3 PolarHBondContact O-N 3.05Å; M1-H3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | L | 49.6 | Very low | 73 | Confident | 67 Ų | 67 | 91.2 Ų | 91.2 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | trans | -69.1 | 106.2 | 168.1 | -90.8 | 124.9 | 0 | 0 | 0 | 107.2 | N6 Y147 | L2-N6 HydrophobicContact CD2-CB 3.88Å; L2-Y147 HydrophobicContact CD1-CE1 4.31Å | ||
| 3 | H | 56.1 | Low | 74.7 | Confident | 147 Ų | 147 | 90.2 Ų | 90.2 | 68% | 0.681 | 50% | 0.501 | S | S | * | . | trans | -58.3 | 141.6 | 166.2 | -88.2 | -78.7 | 0 | 0 | 0 | 108.7 | M1 S5 N6 Y7 | M1-H3 PolarHBondContact O-N 3.05Å; M1-H3 VanDerWaalsContact O-N 3.17Å; H3-S5 PolarHBondContact O-N 3.25Å; H3-N6 WeakPolarHBondContact O-CB 3.47Å; H3-N6 PolarHBondContact O-N 3.47Å; H3-Y7 PolarHBondContact O-N 3.21Å | ||
| 4 | A | 57.6 | Low | 76.2 | Confident | 86 Ų | 86 | 83.9 Ų | 83.9 | 71% | 0.711 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -49 | -31.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y7 S8 | A4-Y7 PolarHBondContact O-N 3.48Å; A4-S8 PolarHBondContact O-N 3.25Å |
| 5 | S | 59 | Low | 77.4 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 64% | 0.643 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 113.2 | H3 S8 L9 | H3-S5 PolarHBondContact O-N 3.25Å; S5-S8 PolarHBondContact O-N 3.37Å; S5-L9 PolarHBondContact O-N 3.5Å |
| 6 | N | 74.7 | Confident | 78.7 | Confident | 86 Ų | 86 | 83.6 Ų | 83.6 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | -179.7 | -64.1 | -12.2 | 0 | 0 | 0 | 111.3 | L2 H3 L9 V10 | L2-N6 HydrophobicContact CD2-CB 3.88Å; H3-N6 WeakPolarHBondContact O-CB 3.47Å; H3-N6 PolarHBondContact O-N 3.47Å; N6-L9 PolarHBondContact O-N 3.07Å; N6-V10 WeakPolarHBondContact O-CG2 3.31Å; N6-V10 PolarHBondContact O-N 2.99Å; N6-V10 VanDerWaalsContact O-N 3.15Å |
| 7 | Y | 83.6 | Confident | 79.8 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 15% | 0.153 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 176.6 | -179.5 | -93.1 | 0 | 0 | 0 | 111.7 | H3 A4 L9 V10 L11 M59 A138 G142 | H3-Y7 PolarHBondContact O-N 3.21Å; A4-Y7 PolarHBondContact O-N 3.48Å; Y7-L9 PolarHBondContact O-N 2.98Å; Y7-V10 PolarHBondContact O-N 3.31Å; Y7-L11 HydrophobicContact CE1-CB 4.44Å; Y7-L11 HydrophobicContact CE1-CD1 4.12Å; Y7-L11 PolarHBondContact O-N 3.41Å; Y7-M59 HydrophobicContact CD2-SD 4.39Å; Y7-M59 HydrophobicContact CE2-SD 3.84Å; Y7-A138 VanDerWaalsContact OH-C 3.28Å; Y7-A138 PolarHBondContact OH-O 3.08Å; Y7-G142 VanDerWaalsContact CE1-CA 3.42Å; Y7-G142 VanDerWaalsContact CE2-CA 3.41Å; Y7-G142 VanDerWaalsContact OH-CA 3.25Å; Y7-G142 WeakPolarHBondContact OH-CA 3.46Å; Y7-G142 PolarHBondContact OH-N 2.91Å |
| 8 | S | 85.9 | Confident | 80.7 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 52% | 0.524 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.4 | -37.6 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 112.5 | A4 S5 L12 | A4-S8 PolarHBondContact O-N 3.25Å; S5-S8 PolarHBondContact O-N 3.37Å; S8-L12 WeakPolarHBondContact O-CB 3.25Å; S8-L12 PolarHBondContact O-N 2.98Å |
| 9 | L | 89.3 | Confident | 81.5 | Confident | 101 Ų | 101 | 76.5 Ų | 76.5 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 176.4 | -171.6 | 160.5 | 0 | 0 | 0 | 111 | S5 N6 Y7 L11 L12 I13 | S5-L9 PolarHBondContact O-N 3.5Å; N6-L9 PolarHBondContact O-N 3.07Å; Y7-L9 PolarHBondContact O-N 2.98Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.36Å; L9-L12 WeakPolarHBondContact O-CB 3.4Å; L9-L12 PolarHBondContact O-N 3.28Å; L9-I13 HydrophobicContact CD2-CD1 3.45Å; L9-I13 VanDerWaalsContact CD2-CD1 3.45Å; L9-I13 HydrophobicContact CD2-CG1 4.1Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.46Å |
| 10 | V | 91.7 | Very high | 82.4 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 21% | 0.206 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59 | -46 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | N6 Y7 L12 I13 Q14 I55 M59 | N6-V10 WeakPolarHBondContact O-CG2 3.31Å; N6-V10 PolarHBondContact O-N 2.99Å; N6-V10 VanDerWaalsContact O-N 3.15Å; Y7-V10 PolarHBondContact O-N 3.31Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 2.9Å; V10-I13 PolarHBondContact O-N 3.36Å; V10-Q14 HydrophobicContact CG1-CG 4.44Å; V10-Q14 WeakPolarHBondContact O-CG 3.45Å; V10-Q14 PolarHBondContact O-N 3.18Å; V10-I55 HydrophobicContact CG1-CG2 3.63Å; V10-M59 HydrophobicContact CG1-CG 4.41Å; V10-M59 HydrophobicContact CG1-SD 3.69Å |
| 11 | L | 92.1 | Very high | 83.1 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.9 | -168.4 | 102.7 | 0 | 0 | 0 | 111.8 | Y7 L9 I13 Q14 L15 A138 | Y7-L11 HydrophobicContact CE1-CB 4.44Å; Y7-L11 HydrophobicContact CE1-CD1 4.12Å; Y7-L11 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.36Å; L11-I13 PolarHBondContact O-N 3Å; L11-Q14 PolarHBondContact O-N 3.01Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.18Å; L11-A138 HydrophobicContact CD1-CB 4.26Å |
| 12 | L | 93.6 | Very high | 85.6 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 57% | 0.571 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 176.8 | 179.5 | 65.2 | 0 | 0 | 0 | 111.8 | S8 L9 V10 L15 S16 | S8-L12 WeakPolarHBondContact O-CB 3.25Å; S8-L12 PolarHBondContact O-N 2.98Å; L9-L12 WeakPolarHBondContact O-CB 3.4Å; L9-L12 PolarHBondContact O-N 3.28Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 2.9Å; L12-L15 PolarHBondContact O-N 3.21Å; L12-S16 WeakPolarHBondContact O-CB 3.44Å; L12-S16 PolarHBondContact O-N 3.14Å; L12-S16 PolarHBondContact O-OG 3.1Å |
| 13 | I | 94.8 | Very high | 87.9 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 175.2 | -69.2 | 175.1 | 0 | 0 | 0 | 109.7 | L9 V10 L11 L15 S16 L17 I55 | L9-I13 HydrophobicContact CD2-CD1 3.45Å; L9-I13 VanDerWaalsContact CD2-CD1 3.45Å; L9-I13 HydrophobicContact CD2-CG1 4.1Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.46Å; V10-I13 PolarHBondContact O-N 3.36Å; L11-I13 PolarHBondContact O-N 3Å; I13-L15 VanDerWaalsContact C-N 3.33Å; I13-L15 PolarHBondContact O-N 3.08Å; I13-S16 WeakPolarHBondContact O-CB 3.3Å; I13-S16 PolarHBondContact O-N 3.05Å; I13-S16 VanDerWaalsContact O-N 3.14Å; I13-L17 HydrophobicContact CG2-CD1 3.97Å; I13-L17 HydrophobicContact CG2-CG 4.36Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 2.96Å; I13-I55 HydrophobicContact CG2-CD1 4Å |
| 14 | Q | 95.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | -180 | -71.4 | -179.9 | -54.1 | 0 | 0 | 112.4 | V10 L11 S16 L17 L18 N52 I55 Y134 | V10-Q14 HydrophobicContact CG1-CG 4.44Å; V10-Q14 WeakPolarHBondContact O-CG 3.45Å; V10-Q14 PolarHBondContact O-N 3.18Å; L11-Q14 PolarHBondContact O-N 3.01Å; Q14-S16 VanDerWaalsContact C-N 3.32Å; Q14-S16 PolarHBondContact O-N 3.39Å; Q14-L17 PolarHBondContact O-N 3.49Å; Q14-L18 WeakPolarHBondContact O-CB 3.47Å; Q14-L18 WeakPolarHBondContact O-CG 3.01Å; Q14-L18 PolarHBondContact O-N 2.89Å; Q14-N52 WeakPolarHBondContact CA-OD1 3.43Å; Q14-N52 PolarHBondContact O-OD1 3.21Å; Q14-I55 HydrophobicContact CG-CB 4.41Å; Q14-I55 HydrophobicContact CG-CD1 4.24Å; Q14-I55 HydrophobicContact CG-CG2 3.77Å; Q14-Y134 HydrophobicContact CB-CE1 4.04Å; Q14-Y134 HydrophobicContact CG-CE1 4.3Å; Q14-Y134 WeakPolarHBondContact CG-OH 3.23Å; Q14-Y134 PolarHBondContact NE2-OH 2.7Å |
| 15 | L | 95 | Very high | 91.7 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 177.6 | -172.8 | 66.9 | 0 | 0 | 0 | 111.7 | L11 L12 I13 L18 S19 | L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.21Å; I13-L15 VanDerWaalsContact C-N 3.33Å; I13-L15 PolarHBondContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.02Å; L15-S19 WeakPolarHBondContact O-CB 3.5Å; L15-S19 PolarHBondContact O-N 3.33Å; L15-S19 PolarHBondContact O-OG 3.38Å |
| 16 | S | 97.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L12 I13 Q14 S19 F20 | L12-S16 WeakPolarHBondContact O-CB 3.44Å; L12-S16 PolarHBondContact O-N 3.14Å; L12-S16 PolarHBondContact O-OG 3.1Å; I13-S16 WeakPolarHBondContact O-CB 3.3Å; I13-S16 PolarHBondContact O-N 3.05Å; I13-S16 VanDerWaalsContact O-N 3.14Å; Q14-S16 VanDerWaalsContact C-N 3.32Å; Q14-S16 PolarHBondContact O-N 3.39Å; S16-S19 PolarHBondContact O-N 3.27Å; S16-F20 PolarHBondContact O-N 2.8Å |
| 17 | L | 97.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 57.4 Ų | 57.4 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.1 | -67.7 | 173.8 | 0 | 0 | 0 | 111.9 | I13 Q14 F20 D21 C48 F51 N52 I55 | I13-L17 HydrophobicContact CG2-CD1 3.97Å; I13-L17 HydrophobicContact CG2-CG 4.36Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 2.96Å; Q14-L17 PolarHBondContact O-N 3.49Å; L17-F20 PolarHBondContact O-N 2.94Å; L17-D21 PolarHBondContact O-N 3.46Å; L17-C48 HydrophobicContact CD2-CB 4.02Å; L17-F51 HydrophobicContact CD1-CB 4.09Å; L17-N52 WeakPolarHBondContact CB-ND2 3.43Å; L17-N52 WeakPolarHBondContact CB-OD1 3.48Å; L17-N52 WeakPolarHBondContact CD1-OD1 3.37Å; L17-I55 HydrophobicContact CD1-CD1 3.9Å |
| 18 | L | 96.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 174.3 | -78.5 | 179.5 | 0 | 0 | 0 | 112.6 | Q14 L15 F20 D21 L22 N52 Y130 Y131 Y134 | Q14-L18 WeakPolarHBondContact O-CB 3.47Å; Q14-L18 WeakPolarHBondContact O-CG 3.01Å; Q14-L18 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 3.02Å; L18-F20 VanDerWaalsContact C-N 3.35Å; L18-D21 PolarHBondContact O-N 3.47Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 PolarHBondContact O-N 2.91Å; L18-N52 PolarHBondContact N-ND2 3.44Å; L18-Y130 HydrophobicContact CD2-CD1 4.47Å; L18-Y130 HydrophobicContact CD2-CE1 3.64Å; L18-Y131 HydrophobicContact CD2-CD1 3.88Å; L18-Y131 HydrophobicContact CD2-CE1 4.32Å; L18-Y134 HydrophobicContact CD1-CD1 3.53Å; L18-Y134 HydrophobicContact CD1-CE1 4.03Å; L18-Y134 HydrophobicContact CD1-CG 4.21Å; L18-Y134 HydrophobicContact CD2-CD1 4.28Å; L18-Y134 HydrophobicContact CD2-CG 4.27Å; L18-Y134 HydrophobicContact CG-CD1 4.15Å; L18-Y134 HydrophobicContact CG-CE1 4.37Å |
| 19 | S | 96.9 | Very high | 95.2 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 46% | 0.462 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 178.5 | -59.2 | 0 | 0 | 0 | 0 | 111 | L15 S16 L22 F23 | L15-S19 WeakPolarHBondContact O-CB 3.5Å; L15-S19 PolarHBondContact O-N 3.33Å; L15-S19 PolarHBondContact O-OG 3.38Å; S16-S19 PolarHBondContact O-N 3.27Å; S19-L22 PolarHBondContact O-N 3.5Å; S19-F23 WeakPolarHBondContact O-CB 3.45Å; S19-F23 PolarHBondContact O-N 3.42Å |
| 20 | F | 97.8 | Very high | 95.4 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 172.7 | -179.1 | -98.8 | 0 | 0 | 0 | 111.6 | S16 L17 L18 L22 F23 V24 L41 M44 C48 | S16-F20 PolarHBondContact O-N 2.8Å; L17-F20 PolarHBondContact O-N 2.94Å; L18-F20 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 3.08Å; F20-F23 WeakPolarHBondContact O-CB 3.49Å; F20-F23 PolarHBondContact O-N 2.84Å; F20-V24 HydrophobicContact CD1-CG2 4.13Å; F20-V24 HydrophobicContact CD2-CG2 4.37Å; F20-V24 HydrophobicContact CE1-CG2 3.63Å; F20-V24 HydrophobicContact CE2-CG2 3.89Å; F20-V24 HydrophobicContact CG-CG2 4.49Å; F20-V24 HydrophobicContact CZ-CG2 3.5Å; F20-V24 VanDerWaalsContact CZ-CG2 3.5Å; F20-V24 WeakPolarHBondContact O-CG2 3.26Å; F20-V24 PolarHBondContact O-N 3.17Å; F20-L41 HydrophobicContact CZ-CD2 4.47Å; F20-M44 HydrophobicContact CE1-CB 3.84Å; F20-M44 HydrophobicContact CE2-CE 4.45Å; F20-M44 HydrophobicContact CZ-CB 3.85Å; F20-M44 HydrophobicContact CZ-CE 3.98Å; F20-C48 HydrophobicContact CD1-CB 4.14Å; F20-C48 WeakPolarHBondContact CD1-SG 3.31Å |
| 21 | D | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 175.4 | -177.5 | 68 | 0 | 0 | 0 | 111.3 | L17 L18 F23 V24 N25 Q45 I49 Y88 Y131 | L17-D21 PolarHBondContact O-N 3.46Å; L18-D21 PolarHBondContact O-N 3.47Å; D21-F23 VanDerWaalsContact C-N 3.27Å; D21-F23 PolarHBondContact O-N 3.27Å; D21-V24 PolarHBondContact O-N 2.93Å; D21-N25 VanDerWaalsContact O-CB 3.25Å; D21-N25 WeakPolarHBondContact O-CB 3.22Å; D21-N25 PolarHBondContact O-N 3.23Å; D21-Q45 PolarHBondContact O-NE2 3.5Å; D21-Q45 WeakPolarHBondContact OD1-CG 3.47Å; D21-Q45 PolarHBondContact OD1-NE2 3.03Å; D21-I49 VanDerWaalsContact OD1-CD1 3.29Å; D21-I49 WeakPolarHBondContact OD1-CD1 3.39Å; D21-I49 VanDerWaalsContact OD1-CG1 3.29Å; D21-I49 WeakPolarHBondContact OD1-CG1 3.41Å; D21-Y88 PolarHBondContact OD1-OH 2.74Å; D21-Y88 PolarHBondContact OD2-OH 3.13Å; D21-Y131 WeakPolarHBondContact OD2-CE1 3.35Å; D21-Y131 PolarHBondContact OD2-OH 3.24Å |
| 22 | L | 97.1 | Very high | 95.2 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 177.2 | 179 | 66.8 | 0 | 0 | 0 | 112.3 | L18 S19 F20 S26 Y131 | L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 PolarHBondContact O-N 2.91Å; S19-L22 PolarHBondContact O-N 3.5Å; F20-L22 PolarHBondContact O-N 3.08Å; L22-S26 WeakPolarHBondContact O-CB 3.25Å; L22-S26 PolarHBondContact O-N 3.22Å; L22-S26 PolarHBondContact O-OG 2.88Å; L22-Y131 HydrophobicContact CB-CE2 4.4Å; L22-Y131 HydrophobicContact CD1-CD2 4.31Å; L22-Y131 HydrophobicContact CD1-CE2 3.63Å |
| 23 | F | 97.4 | Very high | 95 | Very high | 110 Ų | 110 | 60 Ų | 60 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -53.7 | 177 | 173.1 | -93.5 | 0 | 0 | 0 | 111.3 | S19 F20 D21 N25 S26 F27 | S19-F23 WeakPolarHBondContact O-CB 3.45Å; S19-F23 PolarHBondContact O-N 3.42Å; F20-F23 WeakPolarHBondContact O-CB 3.49Å; F20-F23 PolarHBondContact O-N 2.84Å; D21-F23 VanDerWaalsContact C-N 3.27Å; D21-F23 PolarHBondContact O-N 3.27Å; F23-N25 VanDerWaalsContact C-N 3.3Å; F23-N25 PolarHBondContact O-N 3.39Å; F23-S26 PolarHBondContact O-N 3.3Å; F23-S26 VanDerWaalsContact O-N 3.13Å; F23-F27 AromaticContact CD2-CD2 3.36Å; F23-F27 HydrophobicContact CD2-CD2 3.36Å; F23-F27 AromaticContact CD2-CE2 3.78Å; F23-F27 HydrophobicContact CD2-CE2 3.78Å; F23-F27 HydrophobicContact CD2-CG 4.39Å; F23-F27 HydrophobicContact CE2-CB 4.42Å; F23-F27 AromaticContact CE2-CD2 3.53Å; F23-F27 HydrophobicContact CE2-CD2 3.53Å; F23-F27 HydrophobicContact CE2-CE2 4.08Å; F23-F27 HydrophobicContact CE2-CG 4.19Å; F23-F27 HydrophobicContact CG-CD2 4.05Å; F23-F27 HydrophobicContact CZ-CB 4.45Å; F23-F27 HydrophobicContact CZ-CD2 4.33Å; F23-F27 VanDerWaalsContact O-CD2 3.29Å; F23-F27 WeakPolarHBondContact O-CD2 3.48Å; F23-F27 PolarHBondContact O-N 3.41Å |
| 24 | V | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | F20 D21 S26 S28 L41 F42 Q45 | F20-V24 HydrophobicContact CD1-CG2 4.13Å; F20-V24 HydrophobicContact CD2-CG2 4.37Å; F20-V24 HydrophobicContact CE1-CG2 3.63Å; F20-V24 HydrophobicContact CE2-CG2 3.89Å; F20-V24 HydrophobicContact CG-CG2 4.49Å; F20-V24 HydrophobicContact CZ-CG2 3.5Å; F20-V24 VanDerWaalsContact CZ-CG2 3.5Å; F20-V24 WeakPolarHBondContact O-CG2 3.26Å; F20-V24 PolarHBondContact O-N 3.17Å; D21-V24 PolarHBondContact O-N 2.93Å; V24-S26 PolarHBondContact O-N 3.23Å; V24-S28 WeakPolarHBondContact O-CB 3.36Å; V24-S28 PolarHBondContact O-N 3.11Å; V24-S28 PolarHBondContact O-OG 2.57Å; V24-L41 HydrophobicContact CG1-CB 4.01Å; V24-L41 HydrophobicContact CG2-CD2 4.48Å; V24-F42 HydrophobicContact CG1-CD1 4.31Å; V24-Q45 HydrophobicContact CB-CB 4.15Å; V24-Q45 HydrophobicContact CB-CG 4.16Å; V24-Q45 HydrophobicContact CG1-CB 4Å; V24-Q45 HydrophobicContact CG1-CG 4.31Å; V24-Q45 HydrophobicContact CG2-CB 4.41Å |
| 25 | N | 96.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.9 | -58.4 | 172.6 | -142.3 | 24.3 | 0 | 0 | 0 | 108.2 | D21 F23 F27 Q123 R124 S127 Y131 | D21-N25 VanDerWaalsContact O-CB 3.25Å; D21-N25 WeakPolarHBondContact O-CB 3.22Å; D21-N25 PolarHBondContact O-N 3.23Å; F23-N25 VanDerWaalsContact C-N 3.3Å; F23-N25 PolarHBondContact O-N 3.39Å; N25-F27 PolarHBondContact O-N 3.01Å; N25-Q123 PolarHBondContact OD1-NE2 3.42Å; N25-Q123 PolarHBondContact OD1-OE1 3.4Å; N25-R124 WeakPolarHBondContact ND2-CD 3.34Å; N25-R124 PolarHBondContact O-NH1 3.05Å; N25-R124 PolarHBondContact O-NH2 3.26Å; N25-R124 VanDerWaalsContact OD1-CD 3.32Å; N25-R124 WeakPolarHBondContact OD1-CD 3.01Å; N25-R124 PolarHBondContact OD1-NE 3.27Å; N25-R124 PolarHBondContact OD1-NH1 2.7Å; N25-R124 PolarHBondContact OD1-NH2 3.25Å; N25-R124 VanDerWaalsContact OD1-NH2 3.15Å; N25-S127 WeakPolarHBondContact ND2-CB 3.45Å; N25-S127 PolarHBondContact ND2-OG 2.84Å; N25-S127 VanDerWaalsContact ND2-OG 3.16Å; N25-Y131 PolarHBondContact ND2-OH 3.09Å |
| 26 | S | 95.4 | Very high | 94.6 | Very high | 67 Ų | 67 | 60.5 Ų | 60.5 | 47% | 0.469 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | -172.5 | -55.6 | 0 | 0 | 0 | 0 | 114.6 | L22 F23 V24 | L22-S26 WeakPolarHBondContact O-CB 3.25Å; L22-S26 PolarHBondContact O-N 3.22Å; L22-S26 PolarHBondContact O-OG 2.88Å; F23-S26 PolarHBondContact O-N 3.3Å; F23-S26 VanDerWaalsContact O-N 3.13Å; V24-S26 PolarHBondContact O-N 3.23Å |
| 27 | F | 95.5 | Very high | 94.5 | Very high | 100 Ų | 100 | 60.7 Ų | 60.7 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -116.3 | -11.5 | -165.1 | -61.7 | -69.7 | 0 | 0 | 0 | 115.5 | F23 N25 E29 L30 | F23-F27 AromaticContact CD2-CD2 3.36Å; F23-F27 HydrophobicContact CD2-CD2 3.36Å; F23-F27 AromaticContact CD2-CE2 3.78Å; F23-F27 HydrophobicContact CD2-CE2 3.78Å; F23-F27 HydrophobicContact CD2-CG 4.39Å; F23-F27 HydrophobicContact CE2-CB 4.42Å; F23-F27 AromaticContact CE2-CD2 3.53Å; F23-F27 HydrophobicContact CE2-CD2 3.53Å; F23-F27 HydrophobicContact CE2-CE2 4.08Å; F23-F27 HydrophobicContact CE2-CG 4.19Å; F23-F27 HydrophobicContact CG-CD2 4.05Å; F23-F27 HydrophobicContact CZ-CB 4.45Å; F23-F27 HydrophobicContact CZ-CD2 4.33Å; F23-F27 VanDerWaalsContact O-CD2 3.29Å; F23-F27 WeakPolarHBondContact O-CD2 3.48Å; F23-F27 PolarHBondContact O-N 3.41Å; N25-F27 PolarHBondContact O-N 3.01Å; F27-E29 PolarHBondContact O-N 3.42Å; F27-L30 HydrophobicContact CB-CD1 4.26Å; F27-L30 HydrophobicContact CD1-CD1 3.81Å; F27-L30 VanDerWaalsContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CB 3.31Å; F27-L30 WeakPolarHBondContact O-CG 3.39Å; F27-L30 PolarHBondContact O-N 3.31Å |
| 28 | S | 93.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -55.4 | -29.3 | -177.4 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | V24 L30 L31 Q38 | V24-S28 WeakPolarHBondContact O-CB 3.36Å; V24-S28 PolarHBondContact O-N 3.11Å; V24-S28 PolarHBondContact O-OG 2.57Å; S28-L30 PolarHBondContact O-N 2.92Å; S28-L31 PolarHBondContact O-N 3.21Å; S28-L31 VanDerWaalsContact O-N 3.13Å; S28-Q38 PolarHBondContact O-NE2 3.04Å |
| 29 | E | 91.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -68.5 | -22.3 | 178.9 | -169.6 | 57.3 | -162.1 | 0 | 0 | 113.3 | F27 L31 R32 R103 | F27-E29 PolarHBondContact O-N 3.42Å; E29-L31 PolarHBondContact O-N 3.05Å; E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 WeakPolarHBondContact O-CG 3.45Å; E29-R32 PolarHBondContact O-N 3.18Å; E29-R103 IonicContact OE1-CZ 3.49Å; E29-R103 IonicContact OE1-NH1 3.53Å; E29-R103 IonicContact OE1-NH2 2.67Å; E29-R103 PolarHBondContact OE1-NH2 3.3Å; E29-R103 IonicContact OE2-CZ 3.33Å; E29-R103 IonicContact OE2-NH1 2.77Å; E29-R103 PolarHBondContact OE2-NH1 2.88Å; E29-R103 IonicContact OE2-NH2 2.97Å; E29-R103 PolarHBondContact OE2-NH2 3.44Å |
| 30 | L | 92.7 | Very high | 94.4 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 71% | 0.707 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -64.5 | -24.3 | 173.2 | -61.8 | 177.5 | 0 | 0 | 0 | 112.1 | F27 S28 R32 | F27-L30 HydrophobicContact CB-CD1 4.26Å; F27-L30 HydrophobicContact CD1-CD1 3.81Å; F27-L30 VanDerWaalsContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CB 3.31Å; F27-L30 WeakPolarHBondContact O-CG 3.39Å; F27-L30 PolarHBondContact O-N 3.31Å; S28-L30 PolarHBondContact O-N 2.92Å; L30-R32 VanDerWaalsContact C-N 3.33Å |
| 31 | L | 91.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 34% | 0.335 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -94.9 | 16.5 | -179.3 | -63.5 | 167.9 | 0 | 0 | 0 | 112.6 | S28 E29 T33 E34 V37 L41 | S28-L31 PolarHBondContact O-N 3.21Å; S28-L31 VanDerWaalsContact O-N 3.13Å; E29-L31 PolarHBondContact O-N 3.05Å; L31-T33 PolarHBondContact O-N 3.22Å; L31-E34 CarbonylContact O-C 3.58Å; L31-E34 PolarHBondContact O-N 3.01Å; L31-V37 HydrophobicContact CD1-CG1 4.2Å; L31-L41 HydrophobicContact CD1-CD1 3.23Å |
| 32 | R | 88.6 | Confident | 94.4 | Very high | 146 Ų | 146 | 60.5 Ų | 60.5 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.4 | -179.8 | 67.8 | 179.1 | -174 | 155.4 | 2.7 | 114.6 | E29 L30 E34 T107 | E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 WeakPolarHBondContact O-CG 3.45Å; E29-R32 PolarHBondContact O-N 3.18Å; L30-R32 VanDerWaalsContact C-N 3.33Å; R32-E34 VanDerWaalsContact C-N 3.32Å; R32-T107 WeakPolarHBondContact O-CG2 3.44Å |
| 33 | T | 89.5 | Confident | 94.4 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 49% | 0.485 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18.3 | 178.5 | 53.2 | 0 | 0 | 0 | 0 | 113 | L31 P35 T107 | L31-T33 PolarHBondContact O-N 3.22Å; T33-P35 VanDerWaalsContact O-CD 3.29Å; T33-P35 WeakPolarHBondContact O-CD 3.33Å; T33-T107 WeakPolarHBondContact O-CG2 3.24Å |
| 34 | E | 92.7 | Very high | 94.4 | Very high | 109 Ų | 109 | 59.3 Ų | 59.3 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | trans | -119.3 | 74.5 | -176.7 | -66.1 | -61.3 | 151.3 | 0 | 0 | 109.4 | L31 R32 A36 V37 Q38 | L31-E34 CarbonylContact O-C 3.58Å; L31-E34 PolarHBondContact O-N 3.01Å; R32-E34 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.38Å; E34-A36 VanDerWaalsContact O-N 3.14Å; E34-V37 HydrophobicContact CB-CB 4.11Å; E34-V37 HydrophobicContact CB-CG2 4.05Å; E34-V37 PolarHBondContact O-N 3.07Å; E34-Q38 PolarHBondContact O-N 3.41Å | ||
| 35 | P | 91.5 | Very high | 94.5 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 13% | 0.13 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -29.7 | -170.1 | 23.4 | -33.8 | 0 | 0 | 0 | 113.1 | T33 L39 R103 | T33-P35 VanDerWaalsContact O-CD 3.29Å; T33-P35 WeakPolarHBondContact O-CD 3.33Å; P35-L39 WeakPolarHBondContact O-CB 3.21Å; P35-L39 PolarHBondContact O-N 3.37Å; P35-R103 HydrophobicContact CB-CB 4.41Å |
| 36 | A | 93.9 | Very high | 94.6 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E34 L39 V40 | E34-A36 PolarHBondContact O-N 3.38Å; E34-A36 VanDerWaalsContact O-N 3.14Å; A36-L39 PolarHBondContact O-N 3.17Å; A36-V40 WeakPolarHBondContact O-CG2 3.41Å; A36-V40 PolarHBondContact O-N 3.11Å; A36-V40 VanDerWaalsContact O-N 3.17Å |
| 37 | V | 94.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 61.1 Ų | 61.1 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 110 | L31 E34 L39 V40 L41 | L31-V37 HydrophobicContact CD1-CG1 4.2Å; E34-V37 HydrophobicContact CB-CB 4.11Å; E34-V37 HydrophobicContact CB-CG2 4.05Å; E34-V37 PolarHBondContact O-N 3.07Å; V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 PolarHBondContact O-N 3.18Å; V37-V40 PolarHBondContact O-N 3.41Å; V37-L41 PolarHBondContact O-N 3.23Å; V37-L41 VanDerWaalsContact O-N 3.08Å |
| 38 | Q | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.8 | -168.8 | 173.8 | 18.9 | 0 | 0 | 111.8 | S28 E34 V40 L41 F42 M100 | S28-Q38 PolarHBondContact O-NE2 3.04Å; E34-Q38 PolarHBondContact O-N 3.41Å; Q38-V40 PolarHBondContact O-N 2.78Å; Q38-L41 PolarHBondContact O-N 2.94Å; Q38-F42 HydrophobicContact CG-CD2 4.23Å; Q38-F42 HydrophobicContact CG-CE1 4.31Å; Q38-F42 HydrophobicContact CG-CE2 3.72Å; Q38-F42 HydrophobicContact CG-CZ 3.77Å; Q38-F42 VanDerWaalsContact NE2-CZ 3.26Å; Q38-F42 WeakPolarHBondContact O-CG 3.27Å; Q38-F42 PolarHBondContact O-N 3.49Å; Q38-M100 HydrophobicContact CB-CE 4.28Å; Q38-M100 HydrophobicContact CG-CE 3.99Å |
| 39 | L | 96.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 175.7 | 175.7 | 64.6 | 0 | 0 | 0 | 111.9 | P35 A36 V37 L41 F42 I43 M100 W104 | P35-L39 WeakPolarHBondContact O-CB 3.21Å; P35-L39 PolarHBondContact O-N 3.37Å; A36-L39 PolarHBondContact O-N 3.17Å; V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 PolarHBondContact O-N 3.18Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.4Å; L39-F42 PolarHBondContact O-N 2.88Å; L39-I43 HydrophobicContact CD1-CD1 4.03Å; L39-I43 HydrophobicContact CD1-CG1 4.31Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 3.43Å; L39-M100 HydrophobicContact CB-CG 4.43Å; L39-M100 HydrophobicContact CB-SD 3.77Å; L39-M100 HydrophobicContact CD1-CG 3.87Å; L39-M100 HydrophobicContact CD1-SD 4.34Å; L39-W104 HydrophobicContact CD2-CH2 4.19Å; L39-W104 HydrophobicContact CD2-CZ3 3.77Å |
| 40 | V | 97.2 | Very high | 95.2 | Very high | 80 Ų | 80 | 58.4 Ų | 58.4 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 179 | 173 | 0 | 0 | 0 | 0 | 110.7 | A36 V37 Q38 F42 I43 M44 | A36-V40 WeakPolarHBondContact O-CG2 3.41Å; A36-V40 PolarHBondContact O-N 3.11Å; A36-V40 VanDerWaalsContact O-N 3.17Å; V37-V40 PolarHBondContact O-N 3.41Å; Q38-V40 PolarHBondContact O-N 2.78Å; V40-F42 PolarHBondContact O-N 2.79Å; V40-I43 PolarHBondContact O-N 3.35Å; V40-M44 HydrophobicContact CG1-CG 4.42Å; V40-M44 HydrophobicContact CG1-SD 4.06Å; V40-M44 VanDerWaalsContact O-CG 3.31Å; V40-M44 WeakPolarHBondContact O-CG 3.43Å; V40-M44 PolarHBondContact O-N 3.44Å |
| 41 | L | 97.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 57.3 Ų | 57.3 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.8 | -72.2 | 178 | 0 | 0 | 0 | 112.7 | F20 V24 L31 V37 Q38 L39 M44 Q45 | F20-L41 HydrophobicContact CZ-CD2 4.47Å; V24-L41 HydrophobicContact CG1-CB 4.01Å; V24-L41 HydrophobicContact CG2-CD2 4.48Å; L31-L41 HydrophobicContact CD1-CD1 3.23Å; V37-L41 PolarHBondContact O-N 3.23Å; V37-L41 VanDerWaalsContact O-N 3.08Å; Q38-L41 PolarHBondContact O-N 2.94Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.4Å; L41-M44 PolarHBondContact O-N 3.33Å; L41-Q45 VanDerWaalsContact O-CB 3.31Å; L41-Q45 WeakPolarHBondContact O-CB 3.15Å; L41-Q45 PolarHBondContact O-N 3.43Å |
| 42 | F | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.8 | -71.3 | -21.9 | 0 | 0 | 0 | 112.4 | V24 Q38 L39 V40 M44 Q45 D46 H96 L99 M100 | V24-F42 HydrophobicContact CG1-CD1 4.31Å; Q38-F42 HydrophobicContact CG-CD2 4.23Å; Q38-F42 HydrophobicContact CG-CE1 4.31Å; Q38-F42 HydrophobicContact CG-CE2 3.72Å; Q38-F42 HydrophobicContact CG-CZ 3.77Å; Q38-F42 VanDerWaalsContact NE2-CZ 3.26Å; Q38-F42 WeakPolarHBondContact O-CG 3.27Å; Q38-F42 PolarHBondContact O-N 3.49Å; L39-F42 PolarHBondContact O-N 2.88Å; V40-F42 PolarHBondContact O-N 2.79Å; F42-M44 VanDerWaalsContact C-N 3.35Å; F42-M44 PolarHBondContact O-N 3.39Å; F42-Q45 WeakPolarHBondContact O-CB 3.44Å; F42-Q45 PolarHBondContact O-N 3.49Å; F42-D46 PolarHBondContact O-N 3.46Å; F42-H96 HydrophobicContact CB-CB 3.94Å; F42-H96 AromaticContact CD1-CD2 3.31Å; F42-H96 WeakPolarHBondContact CD1-CD2 3.4Å; F42-H96 AromaticContact CD1-CE1 3.94Å; F42-H96 AromaticContact CD1-CG 3.89Å; F42-H96 AromaticContact CD1-NE2 3.38Å; F42-H96 WeakPolarHBondContact CD1-NE2 3.46Å; F42-H96 HydrophobicContact CD2-CB 3.76Å; F42-H96 AromaticContact CD2-CD2 3.71Å; F42-H96 AromaticContact CD2-CG 3.8Å; F42-H96 AromaticContact CE1-CD2 3.53Å; F42-H96 AromaticContact CE1-NE2 3.72Å; F42-H96 HydrophobicContact CE2-CB 4.38Å; F42-H96 AromaticContact CE2-CD2 3.9Å; F42-H96 HydrophobicContact CG-CB 3.94Å; F42-H96 AromaticContact CG-CD2 3.4Å; F42-H96 VanDerWaalsContact CG-CD2 3.4Å; F42-H96 WeakPolarHBondContact CG-CD2 3.37Å; F42-H96 AromaticContact CG-CG 3.52Å; F42-H96 AromaticContact CG-ND1 4Å; F42-H96 AromaticContact CG-NE2 3.86Å; F42-H96 AromaticContact CZ-CD2 3.82Å; F42-L99 HydrophobicContact CE2-CB 4.34Å; F42-L99 HydrophobicContact CE2-CD1 4.23Å; F42-L99 HydrophobicContact CZ-CD1 4.02Å; F42-M100 HydrophobicContact CD2-CE 4.27Å; F42-M100 HydrophobicContact CD2-CG 4.01Å; F42-M100 HydrophobicContact CD2-SD 4.2Å; F42-M100 HydrophobicContact CE2-CE 3.79Å; F42-M100 HydrophobicContact CE2-CG 4.33Å; F42-M100 HydrophobicContact CE2-SD 4.33Å |
| 43 | I | 97.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 48.4 Ų | 48.4 | 44% | 0.436 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.4 | -67.2 | 168.1 | 0 | 0 | 0 | 110.5 | L39 V40 Q45 D46 I47 | L39-I43 HydrophobicContact CD1-CD1 4.03Å; L39-I43 HydrophobicContact CD1-CG1 4.31Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 3.43Å; V40-I43 PolarHBondContact O-N 3.35Å; I43-Q45 VanDerWaalsContact C-N 3.31Å; I43-Q45 PolarHBondContact O-N 3.13Å; I43-D46 PolarHBondContact O-N 3.47Å; I43-I47 HydrophobicContact CG2-CD1 3.83Å; I43-I47 WeakPolarHBondContact O-CB 3.13Å; I43-I47 VanDerWaalsContact O-CG1 3.25Å; I43-I47 WeakPolarHBondContact O-CG1 3.44Å; I43-I47 PolarHBondContact O-N 3.46Å |
| 44 | M | 97.8 | Very high | 96.1 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 43% | 0.433 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.7 | -71.7 | 179.5 | 69.9 | 0 | 0 | 111.6 | F20 V40 L41 F42 I47 C48 | F20-M44 HydrophobicContact CE1-CB 3.84Å; F20-M44 HydrophobicContact CE2-CE 4.45Å; F20-M44 HydrophobicContact CZ-CB 3.85Å; F20-M44 HydrophobicContact CZ-CE 3.98Å; V40-M44 HydrophobicContact CG1-CG 4.42Å; V40-M44 HydrophobicContact CG1-SD 4.06Å; V40-M44 VanDerWaalsContact O-CG 3.31Å; V40-M44 WeakPolarHBondContact O-CG 3.43Å; V40-M44 PolarHBondContact O-N 3.44Å; L41-M44 PolarHBondContact O-N 3.33Å; F42-M44 VanDerWaalsContact C-N 3.35Å; F42-M44 PolarHBondContact O-N 3.39Å; M44-I47 PolarHBondContact O-N 2.85Å; M44-C48 PolarHBondContact O-N 3.44Å; M44-C48 PolarHBondContact O-SG 3.3Å |
| 45 | Q | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 178 | -174.7 | -179 | 5 | 0 | 0 | 111.4 | D21 V24 L41 F42 I43 I47 C48 I49 H96 | D21-Q45 PolarHBondContact O-NE2 3.5Å; D21-Q45 WeakPolarHBondContact OD1-CG 3.47Å; D21-Q45 PolarHBondContact OD1-NE2 3.03Å; V24-Q45 HydrophobicContact CB-CB 4.15Å; V24-Q45 HydrophobicContact CB-CG 4.16Å; V24-Q45 HydrophobicContact CG1-CB 4Å; V24-Q45 HydrophobicContact CG1-CG 4.31Å; V24-Q45 HydrophobicContact CG2-CB 4.41Å; L41-Q45 VanDerWaalsContact O-CB 3.31Å; L41-Q45 WeakPolarHBondContact O-CB 3.15Å; L41-Q45 PolarHBondContact O-N 3.43Å; F42-Q45 WeakPolarHBondContact O-CB 3.44Å; F42-Q45 PolarHBondContact O-N 3.49Å; I43-Q45 VanDerWaalsContact C-N 3.31Å; I43-Q45 PolarHBondContact O-N 3.13Å; Q45-I47 VanDerWaalsContact C-N 3.28Å; Q45-I47 PolarHBondContact O-N 3.48Å; Q45-C48 WeakPolarHBondContact O-CB 3.09Å; Q45-C48 PolarHBondContact O-N 3.29Å; Q45-I49 HydrophobicContact CG-CD1 4.26Å; Q45-I49 WeakPolarHBondContact O-CG1 3.32Å; Q45-I49 PolarHBondContact O-N 3.11Å; Q45-H96 PolarHBondContact OE1-NE2 3.19Å |
| 46 | D | 98.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 178.9 | -69.3 | -27.9 | 0 | 0 | 0 | 111.3 | F42 I43 I49 L50 L89 I93 H96 | F42-D46 PolarHBondContact O-N 3.46Å; I43-D46 PolarHBondContact O-N 3.47Å; D46-I49 PolarHBondContact O-N 3Å; D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 2.85Å; D46-L89 HydrophobicContact CB-CD1 4.25Å; D46-I93 HydrophobicContact CB-CG1 4.36Å; D46-H96 IonicContact OD1-CE1 3.21Å; D46-H96 PolarHBondContact OD1-CE1 3.38Å; D46-H96 IonicContact OD1-ND1 3.08Å; D46-H96 PolarHBondContact OD1-ND1 3.45Å; D46-H96 VanDerWaalsContact OD1-ND1 3.08Å; D46-H96 IonicContact OD2-CE1 3.86Å; D46-H96 IonicContact OD2-ND1 3Å; D46-H96 PolarHBondContact OD2-ND1 3.07Å |
| 47 | I | 97.8 | Very high | 95.9 | Very high | 82 Ų | 82 | 43 Ų | 43 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.4 | -71 | 170 | 0 | 0 | 0 | 111 | I43 M44 Q45 L50 F51 | I43-I47 HydrophobicContact CG2-CD1 3.83Å; I43-I47 WeakPolarHBondContact O-CB 3.13Å; I43-I47 VanDerWaalsContact O-CG1 3.25Å; I43-I47 WeakPolarHBondContact O-CG1 3.44Å; I43-I47 PolarHBondContact O-N 3.46Å; M44-I47 PolarHBondContact O-N 2.85Å; Q45-I47 VanDerWaalsContact C-N 3.28Å; Q45-I47 PolarHBondContact O-N 3.48Å; I47-L50 PolarHBondContact O-N 3.26Å; I47-F51 HydrophobicContact CG2-CD2 3.47Å; I47-F51 VanDerWaalsContact CG2-CD2 3.47Å; I47-F51 HydrophobicContact CG2-CE2 3.48Å; I47-F51 VanDerWaalsContact CG2-CE2 3.48Å; I47-F51 VanDerWaalsContact O-CD2 3.28Å; I47-F51 WeakPolarHBondContact O-CD2 3.43Å; I47-F51 PolarHBondContact O-N 3.17Å |
| 48 | C | 97.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 44 Ų | 44 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 177.5 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | L17 F20 M44 Q45 L50 F51 N52 | L17-C48 HydrophobicContact CD2-CB 4.02Å; F20-C48 HydrophobicContact CD1-CB 4.14Å; F20-C48 WeakPolarHBondContact CD1-SG 3.31Å; M44-C48 PolarHBondContact O-N 3.44Å; M44-C48 PolarHBondContact O-SG 3.3Å; Q45-C48 WeakPolarHBondContact O-CB 3.09Å; Q45-C48 PolarHBondContact O-N 3.29Å; C48-L50 VanDerWaalsContact C-N 3.34Å; C48-F51 PolarHBondContact O-N 3.04Å; C48-N52 WeakPolarHBondContact O-CB 3.45Å; C48-N52 PolarHBondContact O-N 3.19Å |
| 49 | I | 97.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.3 | -62.2 | 165 | 0 | 0 | 0 | 110 | D21 Q45 D46 N52 L53 Y88 L89 | D21-I49 VanDerWaalsContact OD1-CD1 3.29Å; D21-I49 WeakPolarHBondContact OD1-CD1 3.39Å; D21-I49 VanDerWaalsContact OD1-CG1 3.29Å; D21-I49 WeakPolarHBondContact OD1-CG1 3.41Å; Q45-I49 HydrophobicContact CG-CD1 4.26Å; Q45-I49 WeakPolarHBondContact O-CG1 3.32Å; Q45-I49 PolarHBondContact O-N 3.11Å; D46-I49 PolarHBondContact O-N 3Å; I49-N52 WeakPolarHBondContact O-CB 3.43Å; I49-N52 PolarHBondContact O-N 3.49Å; I49-L53 PolarHBondContact O-N 3.25Å; I49-Y88 HydrophobicContact CD1-CD1 4.03Å; I49-Y88 HydrophobicContact CD1-CE1 3.49Å; I49-Y88 VanDerWaalsContact CD1-CE1 3.49Å; I49-Y88 HydrophobicContact CG1-CD1 4.38Å; I49-Y88 HydrophobicContact CG1-CE1 3.88Å; I49-Y88 HydrophobicContact CG2-CD1 4.05Å; I49-Y88 HydrophobicContact CG2-CE1 4.4Å; I49-L89 HydrophobicContact CB-CD1 4.1Å; I49-L89 HydrophobicContact CG2-CB 3.99Å; I49-L89 HydrophobicContact CG2-CD1 4.02Å |
| 50 | L | 97.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 42 Ų | 42 | 41% | 0.408 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 178.2 | -179.8 | 64.8 | 0 | 0 | 0 | 111.9 | D46 I47 C48 N52 L53 I54 L89 | D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 2.85Å; I47-L50 PolarHBondContact O-N 3.26Å; C48-L50 VanDerWaalsContact C-N 3.34Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 2.85Å; L50-L53 WeakPolarHBondContact O-CB 3.48Å; L50-L53 PolarHBondContact O-N 2.69Å; L50-I54 HydrophobicContact CD1-CD1 4.38Å; L50-I54 HydrophobicContact CG-CD1 4.01Å; L50-I54 WeakPolarHBondContact O-CG1 3.3Å; L50-I54 PolarHBondContact O-N 3.42Å; L50-L89 HydrophobicContact CB-CD2 4.43Å; L50-L89 HydrophobicContact CD1-CD2 4.14Å |
| 51 | F | 97.1 | Very high | 94 | Very high | 111 Ų | 111 | 42.9 Ų | 42.9 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.1 | -89.8 | -70.5 | 0 | 0 | 0 | 111.9 | L17 I47 C48 L53 I54 I55 | L17-F51 HydrophobicContact CD1-CB 4.09Å; I47-F51 HydrophobicContact CG2-CD2 3.47Å; I47-F51 VanDerWaalsContact CG2-CD2 3.47Å; I47-F51 HydrophobicContact CG2-CE2 3.48Å; I47-F51 VanDerWaalsContact CG2-CE2 3.48Å; I47-F51 VanDerWaalsContact O-CD2 3.28Å; I47-F51 WeakPolarHBondContact O-CD2 3.43Å; I47-F51 PolarHBondContact O-N 3.17Å; C48-F51 PolarHBondContact O-N 3.04Å; F51-L53 VanDerWaalsContact C-N 3.29Å; F51-L53 PolarHBondContact O-N 3.34Å; F51-I54 PolarHBondContact O-N 3Å; F51-I54 VanDerWaalsContact O-N 3.17Å; F51-I55 VanDerWaalsContact O-CG1 3.28Å; F51-I55 WeakPolarHBondContact O-CG1 3.46Å; F51-I55 PolarHBondContact O-N 3.14Å |
| 52 | N | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -40.9 | 175.1 | -97.4 | -19.4 | 0 | 0 | 0 | 112.2 | Q14 L17 L18 C48 I49 L50 I56 Y134 | Q14-N52 WeakPolarHBondContact CA-OD1 3.43Å; Q14-N52 PolarHBondContact O-OD1 3.21Å; L17-N52 WeakPolarHBondContact CB-ND2 3.43Å; L17-N52 WeakPolarHBondContact CB-OD1 3.48Å; L17-N52 WeakPolarHBondContact CD1-OD1 3.37Å; L18-N52 PolarHBondContact N-ND2 3.44Å; C48-N52 WeakPolarHBondContact O-CB 3.45Å; C48-N52 PolarHBondContact O-N 3.19Å; I49-N52 WeakPolarHBondContact O-CB 3.43Å; I49-N52 PolarHBondContact O-N 3.49Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 2.85Å; N52-I56 WeakPolarHBondContact O-CG1 3.44Å; N52-I56 PolarHBondContact O-N 2.83Å; N52-Y134 WeakPolarHBondContact CA-OH 3.4Å; N52-Y134 HydrophobicContact CB-CE2 3.64Å; N52-Y134 WeakPolarHBondContact CB-OH 3.39Å; N52-Y134 WeakPolarHBondContact O-CE2 3.23Å; N52-Y134 PolarHBondContact O-OH 2.95Å; N52-Y134 PolarHBondContact OD1-OH 3.02Å; N52-Y134 VanDerWaalsContact OD1-OH 3.07Å |
| 53 | L | 94.5 | Very high | 92.6 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 173.8 | 176.5 | 58.5 | 0 | 0 | 0 | 111.4 | I49 L50 F51 I55 I56 L57 | I49-L53 PolarHBondContact O-N 3.25Å; L50-L53 WeakPolarHBondContact O-CB 3.48Å; L50-L53 PolarHBondContact O-N 2.69Å; F51-L53 VanDerWaalsContact C-N 3.29Å; F51-L53 PolarHBondContact O-N 3.34Å; L53-I55 PolarHBondContact O-N 3.02Å; L53-I56 PolarHBondContact O-N 3.22Å; L53-L57 HydrophobicContact CD1-CD1 4.26Å; L53-L57 HydrophobicContact CD1-CG 4.28Å; L53-L57 HydrophobicContact CG-CD1 4.17Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 3.21Å |
| 54 | I | 93.9 | Very high | 91.4 | Very high | 69 Ų | 69 | 44.6 Ų | 44.6 | 35% | 0.354 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 178.1 | -68.6 | 166.9 | 0 | 0 | 0 | 111 | L50 F51 I56 L57 L58 | L50-I54 HydrophobicContact CD1-CD1 4.38Å; L50-I54 HydrophobicContact CG-CD1 4.01Å; L50-I54 WeakPolarHBondContact O-CG1 3.3Å; L50-I54 PolarHBondContact O-N 3.42Å; F51-I54 PolarHBondContact O-N 3Å; F51-I54 VanDerWaalsContact O-N 3.17Å; I54-I56 VanDerWaalsContact C-N 3.32Å; I54-I56 PolarHBondContact O-N 2.91Å; I54-L57 PolarHBondContact O-N 3.45Å; I54-L58 HydrophobicContact CG2-CD1 3.9Å; I54-L58 HydrophobicContact CG2-CG 4.21Å; I54-L58 WeakPolarHBondContact O-CG 3.49Å; I54-L58 PolarHBondContact O-N 3.13Å |
| 55 | I | 93.1 | Very high | 90.1 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 179.6 | -66.6 | 165.1 | 0 | 0 | 0 | 110.6 | V10 I13 Q14 L17 F51 L53 L57 L58 M59 | V10-I55 HydrophobicContact CG1-CG2 3.63Å; I13-I55 HydrophobicContact CG2-CD1 4Å; Q14-I55 HydrophobicContact CG-CB 4.41Å; Q14-I55 HydrophobicContact CG-CD1 4.24Å; Q14-I55 HydrophobicContact CG-CG2 3.77Å; L17-I55 HydrophobicContact CD1-CD1 3.9Å; F51-I55 VanDerWaalsContact O-CG1 3.28Å; F51-I55 WeakPolarHBondContact O-CG1 3.46Å; F51-I55 PolarHBondContact O-N 3.14Å; L53-I55 PolarHBondContact O-N 3.02Å; I55-L57 PolarHBondContact O-N 3.31Å; I55-L58 PolarHBondContact O-N 3.38Å; I55-M59 HydrophobicContact CG2-CE 4.39Å; I55-M59 HydrophobicContact CG2-CG 4.45Å; I55-M59 WeakPolarHBondContact O-CG 3.32Å; I55-M59 PolarHBondContact O-N 3.06Å |
| 56 | I | 90.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.3 | -73.8 | -75.1 | 0 | 0 | 0 | 111.3 | N52 L53 I54 L58 M59 L60 L81 Y134 T137 L141 | N52-I56 WeakPolarHBondContact O-CG1 3.44Å; N52-I56 PolarHBondContact O-N 2.83Å; L53-I56 PolarHBondContact O-N 3.22Å; I54-I56 VanDerWaalsContact C-N 3.32Å; I54-I56 PolarHBondContact O-N 2.91Å; I56-L58 VanDerWaalsContact C-N 3.35Å; I56-L58 PolarHBondContact O-N 3.35Å; I56-M59 HydrophobicContact CD1-CE 3.67Å; I56-M59 HydrophobicContact CG1-CE 4.47Å; I56-M59 PolarHBondContact O-N 2.84Å; I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 PolarHBondContact O-N 2.71Å; I56-L81 HydrophobicContact CD1-CD2 4.35Å; I56-L81 HydrophobicContact CG1-CD2 4.43Å; I56-L81 HydrophobicContact CG2-CD2 3.9Å; I56-Y134 HydrophobicContact CD1-CE1 4.4Å; I56-Y134 HydrophobicContact CD1-CE2 4.26Å; I56-Y134 HydrophobicContact CG1-CD2 4.28Å; I56-Y134 HydrophobicContact CG1-CE1 4.36Å; I56-Y134 HydrophobicContact CG1-CE2 3.48Å; I56-Y134 VanDerWaalsContact CG1-CE2 3.48Å; I56-Y134 WeakPolarHBondContact CG1-OH 3.49Å; I56-T137 HydrophobicContact CD1-CG2 4.18Å; I56-L141 HydrophobicContact CD1-CD1 3.93Å; I56-L141 HydrophobicContact CG2-CD1 4.41Å |
| 57 | L | 89.8 | Confident | 88.1 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 177.8 | -66.9 | 173.1 | 0 | 0 | 0 | 111.7 | L53 I54 I55 L60 F61 I82 | L53-L57 HydrophobicContact CD1-CD1 4.26Å; L53-L57 HydrophobicContact CD1-CG 4.28Å; L53-L57 HydrophobicContact CG-CD1 4.17Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 3.21Å; I54-L57 PolarHBondContact O-N 3.45Å; I55-L57 PolarHBondContact O-N 3.31Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 3.28Å; L57-F61 HydrophobicContact CB-CE2 4.38Å; L57-F61 VanDerWaalsContact O-CD2 3.24Å; L57-F61 WeakPolarHBondContact O-CD2 3.39Å; L57-F61 VanDerWaalsContact O-CG 3.24Å; L57-F61 WeakPolarHBondContact O-CG 3.43Å; L57-F61 PolarHBondContact O-N 2.94Å; L57-I82 HydrophobicContact CD2-CD1 4.11Å; L57-I82 HydrophobicContact CD2-CG1 4.37Å |
| 58 | L | 89.1 | Confident | 86.9 | Confident | 92 Ų | 92 | 47 Ų | 47 | 48% | 0.482 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.3 | -69.9 | 175.4 | 0 | 0 | 0 | 112 | I54 I55 I56 L60 F61 N62 | I54-L58 HydrophobicContact CG2-CD1 3.9Å; I54-L58 HydrophobicContact CG2-CG 4.21Å; I54-L58 WeakPolarHBondContact O-CG 3.49Å; I54-L58 PolarHBondContact O-N 3.13Å; I55-L58 PolarHBondContact O-N 3.38Å; I56-L58 VanDerWaalsContact C-N 3.35Å; I56-L58 PolarHBondContact O-N 3.35Å; L58-L60 VanDerWaalsContact C-N 3.29Å; L58-L60 PolarHBondContact O-N 2.87Å; L58-F61 PolarHBondContact O-N 3.45Å; L58-N62 WeakPolarHBondContact O-CB 3.46Å; L58-N62 PolarHBondContact O-N 2.92Å; L58-N62 PolarHBondContact O-ND2 3.42Å; L58-N62 VanDerWaalsContact O-ND2 3.1Å |
| 59 | M | 86.8 | Confident | 85.9 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 5% | 0.054 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 175.3 | -73 | -163.4 | -57.6 | 0 | 0 | 111.8 | Y7 V10 I55 I56 N62 T63 L141 Y147 | Y7-M59 HydrophobicContact CD2-SD 4.39Å; Y7-M59 HydrophobicContact CE2-SD 3.84Å; V10-M59 HydrophobicContact CG1-CG 4.41Å; V10-M59 HydrophobicContact CG1-SD 3.69Å; I55-M59 HydrophobicContact CG2-CE 4.39Å; I55-M59 HydrophobicContact CG2-CG 4.45Å; I55-M59 WeakPolarHBondContact O-CG 3.32Å; I55-M59 PolarHBondContact O-N 3.06Å; I56-M59 HydrophobicContact CD1-CE 3.67Å; I56-M59 HydrophobicContact CG1-CE 4.47Å; I56-M59 PolarHBondContact O-N 2.84Å; M59-N62 PolarHBondContact O-N 3.47Å; M59-T63 WeakPolarHBondContact O-CG2 3.4Å; M59-T63 PolarHBondContact O-N 3.44Å; M59-L141 HydrophobicContact CB-CD1 4.18Å; M59-L141 HydrophobicContact CE-CB 4.32Å; M59-L141 HydrophobicContact CE-CD1 3.97Å; M59-Y147 PolarHBondContact O-OH 3.28Å |
| 60 | L | 84.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 174.8 | -169.1 | 81 | 0 | 0 | 0 | 111.6 | I56 L57 L58 N62 T63 L74 L75 F78 | I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 PolarHBondContact O-N 2.71Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 3.28Å; L58-L60 VanDerWaalsContact C-N 3.29Å; L58-L60 PolarHBondContact O-N 2.87Å; L60-N62 VanDerWaalsContact C-N 3.25Å; L60-N62 PolarHBondContact O-N 3.48Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 3.14Å; L60-T63 VanDerWaalsContact O-N 3.13Å; L60-T63 PolarHBondContact O-OG1 3.46Å; L60-L74 HydrophobicContact CD1-CD2 3.33Å; L60-L74 HydrophobicContact CD1-CG 3.58Å; L60-L74 HydrophobicContact CG-CD2 3.66Å; L60-L74 HydrophobicContact CG-CG 4.35Å; L60-L75 HydrophobicContact CD2-CD2 4.18Å; L60-F78 HydrophobicContact CD1-CD2 3.26Å; L60-F78 HydrophobicContact CD1-CE2 3.53Å; L60-F78 HydrophobicContact CD1-CG 4.12Å |
| 61 | F | 82.8 | Confident | 84 | Confident | 97 Ų | 97 | 47.9 Ų | 47.9 | 43% | 0.425 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.5 | -29.1 | 179.3 | -64.3 | -31.4 | 0 | 0 | 0 | 113.3 | L57 L58 T63 F66 | L57-F61 HydrophobicContact CB-CE2 4.38Å; L57-F61 VanDerWaalsContact O-CD2 3.24Å; L57-F61 WeakPolarHBondContact O-CD2 3.39Å; L57-F61 VanDerWaalsContact O-CG 3.24Å; L57-F61 WeakPolarHBondContact O-CG 3.43Å; L57-F61 PolarHBondContact O-N 2.94Å; L58-F61 PolarHBondContact O-N 3.45Å; F61-T63 VanDerWaalsContact C-N 3.27Å; F61-T63 PolarHBondContact O-N 3.39Å; F61-F66 HydrophobicContact CD1-CD1 4.07Å; F61-F66 AromaticContact CD1-CD2 3.91Å; F61-F66 HydrophobicContact CD1-CD2 3.91Å; F61-F66 AromaticContact CD1-CE1 3.59Å; F61-F66 HydrophobicContact CD1-CE1 3.59Å; F61-F66 AromaticContact CD1-CE2 3.4Å; F61-F66 HydrophobicContact CD1-CE2 3.4Å; F61-F66 HydrophobicContact CD1-CG 4.23Å; F61-F66 AromaticContact CD1-CZ 3.24Å; F61-F66 HydrophobicContact CD1-CZ 3.24Å; F61-F66 HydrophobicContact CE1-CD2 4.44Å; F61-F66 HydrophobicContact CE1-CE1 4.16Å; F61-F66 AromaticContact CE1-CE2 3.55Å; F61-F66 HydrophobicContact CE1-CE2 3.55Å; F61-F66 AromaticContact CE1-CZ 3.39Å; F61-F66 HydrophobicContact CE1-CZ 3.39Å; F61-F66 HydrophobicContact CG-CE1 4.42Å; F61-F66 HydrophobicContact CG-CZ 4.41Å |
| 62 | N | 83.2 | Confident | 83 | Confident | 88 Ų | 88 | 46.2 Ų | 46.2 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -6.7 | 176.7 | -77.3 | -38.3 | 0 | 0 | 0 | 114 | L58 M59 L60 Y147 | L58-N62 WeakPolarHBondContact O-CB 3.46Å; L58-N62 PolarHBondContact O-N 2.92Å; L58-N62 PolarHBondContact O-ND2 3.42Å; L58-N62 VanDerWaalsContact O-ND2 3.1Å; M59-N62 PolarHBondContact O-N 3.47Å; L60-N62 VanDerWaalsContact C-N 3.25Å; L60-N62 PolarHBondContact O-N 3.48Å; N62-Y147 HydrophobicContact CB-CE1 4.22Å; N62-Y147 VanDerWaalsContact O-CD1 3.3Å; N62-Y147 WeakPolarHBondContact O-CD1 3.4Å; N62-Y147 WeakPolarHBondContact O-CE1 3.37Å |
| 63 | T | 82.4 | Confident | 82 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -72.3 | 147.6 | 177 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | M59 L60 F61 V65 F66 Q67 L74 L141 L146 Y147 | M59-T63 WeakPolarHBondContact O-CG2 3.4Å; M59-T63 PolarHBondContact O-N 3.44Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 3.14Å; L60-T63 VanDerWaalsContact O-N 3.13Å; L60-T63 PolarHBondContact O-OG1 3.46Å; F61-T63 VanDerWaalsContact C-N 3.27Å; F61-T63 PolarHBondContact O-N 3.39Å; T63-V65 VanDerWaalsContact C-N 3.29Å; T63-V65 PolarHBondContact O-N 2.87Å; T63-F66 PolarHBondContact O-N 2.91Å; T63-F66 WeakPolarHBondContact OG1-CB 3.32Å; T63-F66 PolarHBondContact OG1-N 3.36Å; T63-Q67 WeakPolarHBondContact O-CG 3.36Å; T63-Q67 PolarHBondContact O-N 2.95Å; T63-L74 VanDerWaalsContact OG1-CD2 3.3Å; T63-L74 WeakPolarHBondContact OG1-CD2 3.19Å; T63-L141 HydrophobicContact CG2-CD2 4.11Å; T63-L146 HydrophobicContact CG2-CB 4.34Å; T63-Y147 HydrophobicContact CG2-CE1 3.91Å |
| 64 | Y | 72.8 | Confident | 81.1 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 26% | 0.263 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -37 | 177.4 | -178.3 | -103.5 | 0 | 0 | 0 | 111.5 | F66 Q67 V68 L146 D149 L153 | Y64-F66 PolarHBondContact O-N 3.31Å; Y64-Q67 PolarHBondContact O-N 3.5Å; Y64-V68 HydrophobicContact CD1-CG2 4.02Å; Y64-V68 HydrophobicContact CD2-CG2 4.01Å; Y64-V68 HydrophobicContact CE1-CG2 3.59Å; Y64-V68 HydrophobicContact CE2-CG2 3.58Å; Y64-V68 HydrophobicContact CG-CG2 4.22Å; Y64-V68 WeakPolarHBondContact O-CG2 3.31Å; Y64-V68 PolarHBondContact O-N 3.44Å; Y64-L146 PolarHBondContact N-O 3.08Å; Y64-D149 HydrophobicContact CE1-CB 4.33Å; Y64-L153 HydrophobicContact CD1-CD1 4.01Å; Y64-L153 HydrophobicContact CD1-CD2 3.99Å; Y64-L153 HydrophobicContact CE1-CD2 4.35Å |
| 65 | V | 70.8 | Confident | 80.4 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.6 | -41.4 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | T63 L70 L74 L146 L153 | T63-V65 VanDerWaalsContact C-N 3.29Å; T63-V65 PolarHBondContact O-N 2.87Å; V65-L70 HydrophobicContact CG1-CB 3.67Å; V65-L70 HydrophobicContact CG1-CD1 4.34Å; V65-L70 PolarHBondContact O-N 3Å; V65-L70 VanDerWaalsContact O-N 3.14Å; V65-L74 HydrophobicContact CB-CD1 4.16Å; V65-L74 HydrophobicContact CG1-CD1 4Å; V65-L146 HydrophobicContact CG2-CD2 4.32Å; V65-L153 HydrophobicContact CB-CD2 4.48Å; V65-L153 HydrophobicContact CG2-CD1 4.06Å; V65-L153 HydrophobicContact CG2-CD2 3.81Å; V65-L153 HydrophobicContact CG2-CG 4.13Å |
| 66 | F | 76.6 | Confident | 79.9 | Confident | 53 Ų | 53 | 55 Ų | 55 | 23% | 0.232 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.9 | -42.4 | 177.1 | -165.4 | -82.8 | 0 | 0 | 0 | 111.6 | F61 T63 Y64 V68 G69 V71 L74 | F61-F66 HydrophobicContact CD1-CD1 4.07Å; F61-F66 AromaticContact CD1-CD2 3.91Å; F61-F66 HydrophobicContact CD1-CD2 3.91Å; F61-F66 AromaticContact CD1-CE1 3.59Å; F61-F66 HydrophobicContact CD1-CE1 3.59Å; F61-F66 AromaticContact CD1-CE2 3.4Å; F61-F66 HydrophobicContact CD1-CE2 3.4Å; F61-F66 HydrophobicContact CD1-CG 4.23Å; F61-F66 AromaticContact CD1-CZ 3.24Å; F61-F66 HydrophobicContact CD1-CZ 3.24Å; F61-F66 HydrophobicContact CE1-CD2 4.44Å; F61-F66 HydrophobicContact CE1-CE1 4.16Å; F61-F66 AromaticContact CE1-CE2 3.55Å; F61-F66 HydrophobicContact CE1-CE2 3.55Å; F61-F66 AromaticContact CE1-CZ 3.39Å; F61-F66 HydrophobicContact CE1-CZ 3.39Å; F61-F66 HydrophobicContact CG-CE1 4.42Å; F61-F66 HydrophobicContact CG-CZ 4.41Å; T63-F66 PolarHBondContact O-N 2.91Å; T63-F66 WeakPolarHBondContact OG1-CB 3.32Å; T63-F66 PolarHBondContact OG1-N 3.36Å; Y64-F66 PolarHBondContact O-N 3.31Å; F66-V68 VanDerWaalsContact C-N 3.32Å; F66-V68 PolarHBondContact O-N 3.21Å; F66-G69 PolarHBondContact O-N 3.4Å; F66-V71 HydrophobicContact CD1-CG2 4.21Å; F66-V71 HydrophobicContact CD2-CB 4.22Å; F66-V71 HydrophobicContact CD2-CG1 3.92Å; F66-V71 HydrophobicContact CD2-CG2 3.69Å; F66-V71 HydrophobicContact CE1-CG2 4.12Å; F66-V71 HydrophobicContact CE2-CB 4.03Å; F66-V71 HydrophobicContact CE2-CG1 3.35Å; F66-V71 HydrophobicContact CE2-CG2 3.6Å; F66-V71 HydrophobicContact CG-CG2 3.98Å; F66-V71 HydrophobicContact CZ-CG1 3.99Å; F66-V71 HydrophobicContact CZ-CG2 3.81Å; F66-L74 HydrophobicContact CB-CD2 4.14Å; F66-L74 HydrophobicContact CD2-CD2 4.3Å |
| 67 | Q | 76.1 | Confident | 79.5 | Confident | 131 Ų | 131 | 61.1 Ų | 61.1 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.7 | -33.5 | -179 | -68.9 | 177.5 | -7 | 0 | 0 | 113.5 | T63 Y64 G69 | T63-Q67 WeakPolarHBondContact O-CG 3.36Å; T63-Q67 PolarHBondContact O-N 2.95Å; Y64-Q67 PolarHBondContact O-N 3.5Å; Q67-G69 VanDerWaalsContact C-N 3.29Å; Q67-G69 PolarHBondContact O-N 2.74Å |
| 68 | V | 74.1 | Confident | 79.3 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 12 | -179.7 | -162.7 | 0 | 0 | 0 | 0 | 112.2 | Y64 F66 F157 | Y64-V68 HydrophobicContact CD1-CG2 4.02Å; Y64-V68 HydrophobicContact CD2-CG2 4.01Å; Y64-V68 HydrophobicContact CE1-CG2 3.59Å; Y64-V68 HydrophobicContact CE2-CG2 3.58Å; Y64-V68 HydrophobicContact CG-CG2 4.22Å; Y64-V68 WeakPolarHBondContact O-CG2 3.31Å; Y64-V68 PolarHBondContact O-N 3.44Å; F66-V68 VanDerWaalsContact C-N 3.32Å; F66-V68 PolarHBondContact O-N 3.21Å; V68-F157 HydrophobicContact CB-CE1 4.34Å; V68-F157 HydrophobicContact CB-CE2 3.88Å; V68-F157 HydrophobicContact CB-CZ 3.38Å; V68-F157 HydrophobicContact CG1-CE1 3.63Å; V68-F157 HydrophobicContact CG1-CE2 3.7Å; V68-F157 HydrophobicContact CG1-CZ 3.06Å |
| 69 | G | 74.8 | Confident | 79.2 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 5.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116 | F66 Q67 V71 | F66-G69 PolarHBondContact O-N 3.4Å; Q67-G69 VanDerWaalsContact C-N 3.29Å; Q67-G69 PolarHBondContact O-N 2.74Å; G69-V71 PolarHBondContact O-N 3.19Å |
| 70 | L | 77.9 | Confident | 79.3 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | trans | -82 | 37.7 | 174.8 | -66.9 | 170.7 | 0 | 0 | 0 | 112.3 | V65 A72 I73 L74 V156 F157 | V65-L70 HydrophobicContact CG1-CB 3.67Å; V65-L70 HydrophobicContact CG1-CD1 4.34Å; V65-L70 PolarHBondContact O-N 3Å; V65-L70 VanDerWaalsContact O-N 3.14Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.15Å; L70-I73 HydrophobicContact CB-CD1 4.41Å; L70-I73 HydrophobicContact CD2-CD1 3.83Å; L70-I73 PolarHBondContact O-N 3.43Å; L70-L74 PolarHBondContact O-N 2.94Å; L70-V156 HydrophobicContact CD1-CG1 4.19Å; L70-F157 HydrophobicContact CD1-CD1 4.21Å; L70-F157 HydrophobicContact CD1-CD2 3.76Å; L70-F157 HydrophobicContact CD1-CE1 3.81Å; L70-F157 HydrophobicContact CD1-CE2 3.32Å; L70-F157 HydrophobicContact CD1-CG 4.14Å; L70-F157 HydrophobicContact CD1-CZ 3.28Å; L70-F157 HydrophobicContact CD2-CE1 4.25Å; L70-F157 HydrophobicContact CD2-CZ 4.43Å; L70-F157 HydrophobicContact CG-CE1 3.84Å; L70-F157 HydrophobicContact CG-CE2 4.12Å; L70-F157 HydrophobicContact CG-CZ 3.54Å | ||
| 71 | V | 76.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 24% | 0.242 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | -174.7 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | F66 G69 I73 L74 L75 | F66-V71 HydrophobicContact CD1-CG2 4.21Å; F66-V71 HydrophobicContact CD2-CB 4.22Å; F66-V71 HydrophobicContact CD2-CG1 3.92Å; F66-V71 HydrophobicContact CD2-CG2 3.69Å; F66-V71 HydrophobicContact CE1-CG2 4.12Å; F66-V71 HydrophobicContact CE2-CB 4.03Å; F66-V71 HydrophobicContact CE2-CG1 3.35Å; F66-V71 HydrophobicContact CE2-CG2 3.6Å; F66-V71 HydrophobicContact CG-CG2 3.98Å; F66-V71 HydrophobicContact CZ-CG1 3.99Å; F66-V71 HydrophobicContact CZ-CG2 3.81Å; G69-V71 PolarHBondContact O-N 3.19Å; V71-I73 PolarHBondContact O-N 2.84Å; V71-L74 PolarHBondContact O-N 3.46Å; V71-L75 HydrophobicContact CG1-CD1 3.68Å; V71-L75 HydrophobicContact CG1-CG 3.99Å; V71-L75 WeakPolarHBondContact O-CB 3.37Å; V71-L75 WeakPolarHBondContact O-CG 3.31Å; V71-L75 PolarHBondContact O-N 3.37Å |
| 72 | A | 76.6 | Confident | 80.1 | Confident | 76 Ų | 76 | 62 Ų | 62 | 63% | 0.628 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.7 | -43.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L70 L74 L75 E76 | L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.15Å; A72-L74 VanDerWaalsContact C-N 3.32Å; A72-L74 PolarHBondContact O-N 2.81Å; A72-L75 PolarHBondContact O-N 3.26Å; A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 PolarHBondContact O-N 2.92Å |
| 73 | I | 75.4 | Confident | 80.5 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 179.1 | -58.7 | -179.6 | 0 | 0 | 0 | 110.3 | L70 V71 R77 V156 | L70-I73 HydrophobicContact CB-CD1 4.41Å; L70-I73 HydrophobicContact CD2-CD1 3.83Å; L70-I73 PolarHBondContact O-N 3.43Å; V71-I73 PolarHBondContact O-N 2.84Å; I73-R77 WeakPolarHBondContact O-CB 3.38Å; I73-R77 PolarHBondContact O-N 3.47Å; I73-R77 VanDerWaalsContact O-N 3.11Å; I73-V156 HydrophobicContact CD1-CG1 3.77Å |
| 74 | L | 76.3 | Confident | 81.1 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69 | -45.4 | -178.9 | -149 | 72.3 | 0 | 0 | 0 | 110.7 | L60 T63 V65 F66 L70 V71 A72 E76 R77 F78 | L60-L74 HydrophobicContact CD1-CD2 3.33Å; L60-L74 HydrophobicContact CD1-CG 3.58Å; L60-L74 HydrophobicContact CG-CD2 3.66Å; L60-L74 HydrophobicContact CG-CG 4.35Å; T63-L74 VanDerWaalsContact OG1-CD2 3.3Å; T63-L74 WeakPolarHBondContact OG1-CD2 3.19Å; V65-L74 HydrophobicContact CB-CD1 4.16Å; V65-L74 HydrophobicContact CG1-CD1 4Å; F66-L74 HydrophobicContact CB-CD2 4.14Å; F66-L74 HydrophobicContact CD2-CD2 4.3Å; L70-L74 PolarHBondContact O-N 2.94Å; V71-L74 PolarHBondContact O-N 3.46Å; A72-L74 VanDerWaalsContact C-N 3.32Å; A72-L74 PolarHBondContact O-N 2.81Å; L74-E76 PolarHBondContact O-N 3.34Å; L74-R77 PolarHBondContact O-N 2.84Å; L74-F78 HydrophobicContact CD1-CD2 4.41Å; L74-F78 HydrophobicContact CD1-CE2 3.75Å; L74-F78 HydrophobicContact CG-CD2 3.97Å; L74-F78 HydrophobicContact CG-CE2 3.76Å; L74-F78 WeakPolarHBondContact O-CD2 3.31Å; L74-F78 PolarHBondContact O-N 3.43Å |
| 75 | L | 78.6 | Confident | 82.2 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.7 | -76.3 | 178.3 | 0 | 0 | 0 | 112.1 | L60 V71 A72 R77 F78 R79 I82 | L60-L75 HydrophobicContact CD2-CD2 4.18Å; V71-L75 HydrophobicContact CG1-CD1 3.68Å; V71-L75 HydrophobicContact CG1-CG 3.99Å; V71-L75 WeakPolarHBondContact O-CB 3.37Å; V71-L75 WeakPolarHBondContact O-CG 3.31Å; V71-L75 PolarHBondContact O-N 3.37Å; A72-L75 PolarHBondContact O-N 3.26Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 3.43Å; L75-F78 PolarHBondContact O-N 2.92Å; L75-R79 VanDerWaalsContact O-CA 3.29Å; L75-R79 WeakPolarHBondContact O-CA 3.14Å; L75-R79 WeakPolarHBondContact O-CB 3.32Å; L75-R79 PolarHBondContact O-N 3.43Å; L75-I82 HydrophobicContact CD2-CD1 4.09Å |
| 76 | E | 82.7 | Confident | 83.3 | Confident | 154 Ų | 154 | 62.5 Ų | 62.5 | 72% | 0.72 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 176 | -172.2 | 170.5 | -164.9 | 0 | 0 | 111.4 | A72 L74 | A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 PolarHBondContact O-N 2.92Å; L74-E76 PolarHBondContact O-N 3.34Å |
| 77 | R | 82.1 | Confident | 84.2 | Confident | 131 Ų | 131 | 63.8 Ų | 63.8 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 179 | -170.1 | 170.9 | -173.6 | 156.1 | 2.1 | 113.7 | I73 L74 L75 Y140 | I73-R77 WeakPolarHBondContact O-CB 3.38Å; I73-R77 PolarHBondContact O-N 3.47Å; I73-R77 VanDerWaalsContact O-N 3.11Å; L74-R77 PolarHBondContact O-N 2.84Å; L75-R77 VanDerWaalsContact C-N 3.27Å; L75-R77 PolarHBondContact O-N 3.43Å; R77-Y140 PolarHBondContact NH1-OH 3.07Å; R77-Y140 VanDerWaalsContact NH2-CE2 3.34Å; R77-Y140 PolarHBondContact NH2-OH 2.95Å |
| 78 | F | 84.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -99.6 | 2 | -178.6 | -60.1 | -69.7 | 0 | 0 | 0 | 114.1 | L60 L74 L75 A80 L81 I82 T137 Y140 L141 | L60-F78 HydrophobicContact CD1-CD2 3.26Å; L60-F78 HydrophobicContact CD1-CE2 3.53Å; L60-F78 HydrophobicContact CD1-CG 4.12Å; L74-F78 HydrophobicContact CD1-CD2 4.41Å; L74-F78 HydrophobicContact CD1-CE2 3.75Å; L74-F78 HydrophobicContact CG-CD2 3.97Å; L74-F78 HydrophobicContact CG-CE2 3.76Å; L74-F78 WeakPolarHBondContact O-CD2 3.31Å; L74-F78 PolarHBondContact O-N 3.43Å; L75-F78 PolarHBondContact O-N 2.92Å; F78-A80 PolarHBondContact O-N 2.82Å; F78-L81 PolarHBondContact O-N 3.32Å; F78-I82 PolarHBondContact O-N 2.84Å; F78-I82 VanDerWaalsContact O-N 3.11Å; F78-T137 HydrophobicContact CD1-CG2 3.48Å; F78-T137 VanDerWaalsContact CD1-CG2 3.48Å; F78-T137 HydrophobicContact CE1-CG2 3.54Å; F78-Y140 AromaticContact CE1-CD1 3.78Å; F78-Y140 HydrophobicContact CE1-CD1 3.78Å; F78-Y140 HydrophobicContact CE1-CE1 4.34Å; F78-Y140 AromaticContact CZ-CD1 3.56Å; F78-Y140 HydrophobicContact CZ-CD1 3.56Å; F78-Y140 AromaticContact CZ-CE1 3.77Å; F78-Y140 HydrophobicContact CZ-CE1 3.77Å; F78-L141 HydrophobicContact CE1-CG 4.44Å; F78-L141 HydrophobicContact CE2-CD2 4.37Å; F78-L141 HydrophobicContact CZ-CD2 4.01Å; F78-L141 HydrophobicContact CZ-CG 4.22Å |
| 79 | R | 87.5 | Confident | 86.4 | Confident | 153 Ų | 153 | 56 Ų | 56 | 58% | 0.577 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -49.9 | -44.9 | -179.2 | -172.2 | 175.8 | 177.9 | -163.8 | -4 | 112.2 | L75 L81 I82 M83 | L75-R79 VanDerWaalsContact O-CA 3.29Å; L75-R79 WeakPolarHBondContact O-CA 3.14Å; L75-R79 WeakPolarHBondContact O-CB 3.32Å; L75-R79 PolarHBondContact O-N 3.43Å; R79-L81 PolarHBondContact O-N 3.48Å; R79-I82 PolarHBondContact O-N 3.47Å; R79-M83 HydrophobicContact CG-CE 3.74Å; R79-M83 HydrophobicContact CG-CG 4.37Å; R79-M83 HydrophobicContact CG-SD 3.93Å; R79-M83 WeakPolarHBondContact O-CB 3.02Å; R79-M83 VanDerWaalsContact O-CG 3.32Å; R79-M83 WeakPolarHBondContact O-CG 3.45Å; R79-M83 PolarHBondContact O-N 3.41Å |
| 80 | A | 88 | Confident | 87.4 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F78 L84 | F78-A80 PolarHBondContact O-N 2.82Å; A80-L84 WeakPolarHBondContact O-CB 3.48Å; A80-L84 PolarHBondContact O-N 2.73Å |
| 81 | L | 92 | Very high | 88.4 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -44.8 | 177.9 | 176 | 68.2 | 0 | 0 | 0 | 111.6 | I56 F78 R79 L84 S85 F133 Y134 T137 | I56-L81 HydrophobicContact CD1-CD2 4.35Å; I56-L81 HydrophobicContact CG1-CD2 4.43Å; I56-L81 HydrophobicContact CG2-CD2 3.9Å; F78-L81 PolarHBondContact O-N 3.32Å; R79-L81 PolarHBondContact O-N 3.48Å; L81-L84 PolarHBondContact O-N 2.61Å; L81-S85 VanDerWaalsContact O-CB 3.31Å; L81-S85 WeakPolarHBondContact O-CB 3.44Å; L81-S85 PolarHBondContact O-N 2.88Å; L81-S85 PolarHBondContact O-OG 2.9Å; L81-F133 HydrophobicContact CD1-CB 4.1Å; L81-Y134 HydrophobicContact CD1-CD2 4.37Å; L81-T137 VanDerWaalsContact CD2-CB 3.49Å; L81-T137 HydrophobicContact CD2-CG2 3.4Å; L81-T137 VanDerWaalsContact CD2-CG2 3.4Å |
| 82 | I | 91.9 | Very high | 89.4 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -46.9 | -178.3 | -63.8 | 170.8 | 0 | 0 | 0 | 109.7 | L57 L75 F78 R79 S85 A86 | L57-I82 HydrophobicContact CD2-CD1 4.11Å; L57-I82 HydrophobicContact CD2-CG1 4.37Å; L75-I82 HydrophobicContact CD2-CD1 4.09Å; F78-I82 PolarHBondContact O-N 2.84Å; F78-I82 VanDerWaalsContact O-N 3.11Å; R79-I82 PolarHBondContact O-N 3.47Å; I82-S85 PolarHBondContact O-N 3.15Å; I82-A86 WeakPolarHBondContact O-CB 3.41Å; I82-A86 PolarHBondContact O-N 3.37Å |
| 83 | M | 93.1 | Very high | 90.4 | Very high | 101 Ų | 101 | 56.6 Ų | 56.6 | 50% | 0.498 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.4 | -74.8 | -178.3 | 171.3 | 0 | 0 | 112 | R79 S85 A86 L87 | R79-M83 HydrophobicContact CG-CE 3.74Å; R79-M83 HydrophobicContact CG-CG 4.37Å; R79-M83 HydrophobicContact CG-SD 3.93Å; R79-M83 WeakPolarHBondContact O-CB 3.02Å; R79-M83 VanDerWaalsContact O-CG 3.32Å; R79-M83 WeakPolarHBondContact O-CG 3.45Å; R79-M83 PolarHBondContact O-N 3.41Å; M83-S85 VanDerWaalsContact C-N 3.34Å; M83-S85 PolarHBondContact O-N 3.39Å; M83-A86 PolarHBondContact O-N 2.86Å; M83-L87 VanDerWaalsContact O-CB 3.26Å; M83-L87 WeakPolarHBondContact O-CB 3.32Å; M83-L87 PolarHBondContact O-N 2.98Å |
| 84 | L | 94.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.7 | -39.2 | -179.4 | -175.2 | 63.1 | 0 | 0 | 0 | 111.8 | A80 L81 L87 Y88 L129 F133 | A80-L84 WeakPolarHBondContact O-CB 3.48Å; A80-L84 PolarHBondContact O-N 2.73Å; L81-L84 PolarHBondContact O-N 2.61Å; L84-L87 PolarHBondContact O-N 3.35Å; L84-Y88 WeakPolarHBondContact O-CB 3.25Å; L84-Y88 PolarHBondContact O-N 3.16Å; L84-L129 HydrophobicContact CD1-CB 4.34Å; L84-L129 HydrophobicContact CD2-CB 3.99Å; L84-F133 HydrophobicContact CD2-CB 4.05Å; L84-F133 HydrophobicContact CD2-CD2 3.62Å; L84-F133 HydrophobicContact CD2-CE2 4.49Å; L84-F133 HydrophobicContact CD2-CG 4.14Å |
| 85 | S | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | L81 I82 M83 Y88 L89 Y130 | L81-S85 VanDerWaalsContact O-CB 3.31Å; L81-S85 WeakPolarHBondContact O-CB 3.44Å; L81-S85 PolarHBondContact O-N 2.88Å; L81-S85 PolarHBondContact O-OG 2.9Å; I82-S85 PolarHBondContact O-N 3.15Å; M83-S85 VanDerWaalsContact C-N 3.34Å; M83-S85 PolarHBondContact O-N 3.39Å; S85-Y88 PolarHBondContact O-N 2.78Å; S85-L89 WeakPolarHBondContact O-CB 3.35Å; S85-L89 PolarHBondContact O-N 2.91Å; S85-Y130 WeakPolarHBondContact OG-CE2 3.28Å |
| 86 | A | 94.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I82 M83 T90 | I82-A86 WeakPolarHBondContact O-CB 3.41Å; I82-A86 PolarHBondContact O-N 3.37Å; M83-A86 PolarHBondContact O-N 2.86Å; A86-T90 WeakPolarHBondContact O-CB 3.24Å; A86-T90 PolarHBondContact O-N 3.39Å; A86-T90 PolarHBondContact O-OG1 3.36Å |
| 87 | L | 96 | Very high | 93.9 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 42% | 0.419 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.5 | -174 | 70.4 | 0 | 0 | 0 | 111.2 | M83 L84 T90 F91 | M83-L87 VanDerWaalsContact O-CB 3.26Å; M83-L87 WeakPolarHBondContact O-CB 3.32Å; M83-L87 PolarHBondContact O-N 2.98Å; L84-L87 PolarHBondContact O-N 3.35Å; L87-T90 PolarHBondContact O-N 3.29Å; L87-F91 HydrophobicContact CD1-CD2 4.45Å; L87-F91 HydrophobicContact CD1-CE1 3.92Å; L87-F91 HydrophobicContact CD1-CE2 3.83Å; L87-F91 HydrophobicContact CD1-CZ 3.54Å; L87-F91 HydrophobicContact CD2-CE2 3.98Å; L87-F91 HydrophobicContact CD2-CZ 4.39Å; L87-F91 HydrophobicContact CG-CD2 4.08Å; L87-F91 HydrophobicContact CG-CE2 3.68Å; L87-F91 HydrophobicContact CG-CZ 3.96Å; L87-F91 WeakPolarHBondContact O-CG 2.99Å; L87-F91 PolarHBondContact O-N 2.53Å |
| 88 | Y | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 179.6 | 178.5 | -120 | 0 | 0 | 0 | 112.1 | D21 I49 L84 S85 T90 F91 S92 Q123 A126 S127 Y130 Y131 | D21-Y88 PolarHBondContact OD1-OH 2.74Å; D21-Y88 PolarHBondContact OD2-OH 3.13Å; I49-Y88 HydrophobicContact CD1-CD1 4.03Å; I49-Y88 HydrophobicContact CD1-CE1 3.49Å; I49-Y88 VanDerWaalsContact CD1-CE1 3.49Å; I49-Y88 HydrophobicContact CG1-CD1 4.38Å; I49-Y88 HydrophobicContact CG1-CE1 3.88Å; I49-Y88 HydrophobicContact CG2-CD1 4.05Å; I49-Y88 HydrophobicContact CG2-CE1 4.4Å; L84-Y88 WeakPolarHBondContact O-CB 3.25Å; L84-Y88 PolarHBondContact O-N 3.16Å; S85-Y88 PolarHBondContact O-N 2.78Å; Y88-T90 VanDerWaalsContact C-N 3.34Å; Y88-T90 PolarHBondContact O-N 3.48Å; Y88-F91 PolarHBondContact O-N 3.33Å; Y88-S92 WeakPolarHBondContact O-CB 3.29Å; Y88-S92 PolarHBondContact O-N 3.4Å; Y88-S92 PolarHBondContact O-OG 2.9Å; Y88-Q123 HydrophobicContact CE2-CG 4.35Å; Y88-Q123 VanDerWaalsContact CE2-NE2 3.28Å; Y88-A126 HydrophobicContact CD2-CB 4.33Å; Y88-S127 WeakPolarHBondContact OH-CB 3.31Å; Y88-Y130 AromaticContact CD1-CD1 3.49Å; Y88-Y130 HydrophobicContact CD1-CD1 3.49Å; Y88-Y130 VanDerWaalsContact CD1-CD1 3.49Å; Y88-Y130 HydrophobicContact CD1-CD2 4.09Å; Y88-Y130 AromaticContact CD1-CE1 3.85Å; Y88-Y130 HydrophobicContact CD1-CE1 3.85Å; Y88-Y130 HydrophobicContact CD1-CE2 4.39Å; Y88-Y130 AromaticContact CD1-CG 3.63Å; Y88-Y130 HydrophobicContact CD1-CG 3.63Å; Y88-Y130 AromaticContact CE1-CD1 3.55Å; Y88-Y130 HydrophobicContact CE1-CD1 3.55Å; Y88-Y130 AromaticContact CE1-CE1 3.81Å; Y88-Y130 HydrophobicContact CE1-CE1 3.81Å; Y88-Y130 HydrophobicContact CE1-CG 4.16Å; Y88-Y130 HydrophobicContact CG-CD1 4.3Å; Y88-Y130 HydrophobicContact CG-CG 4.08Å; Y88-Y131 PolarHBondContact OH-OH 2.92Å |
| 89 | L | 97.4 | Very high | 95 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.4 | -179.8 | 61.1 | 0 | 0 | 0 | 111.3 | D46 I49 L50 S85 S92 I93 | D46-L89 HydrophobicContact CB-CD1 4.25Å; I49-L89 HydrophobicContact CB-CD1 4.1Å; I49-L89 HydrophobicContact CG2-CB 3.99Å; I49-L89 HydrophobicContact CG2-CD1 4.02Å; L50-L89 HydrophobicContact CB-CD2 4.43Å; L50-L89 HydrophobicContact CD1-CD2 4.14Å; S85-L89 WeakPolarHBondContact O-CB 3.35Å; S85-L89 PolarHBondContact O-N 2.91Å; L89-S92 PolarHBondContact O-N 2.84Å; L89-I93 HydrophobicContact CD1-CD1 3.9Å; L89-I93 HydrophobicContact CD1-CG1 4.2Å; L89-I93 HydrophobicContact CG-CD1 3.88Å; L89-I93 WeakPolarHBondContact O-CG1 3.29Å; L89-I93 PolarHBondContact O-N 2.91Å |
| 90 | T | 97.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 44% | 0.442 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.9 | -48.5 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | A86 L87 Y88 S92 I93 I94 | A86-T90 WeakPolarHBondContact O-CB 3.24Å; A86-T90 PolarHBondContact O-N 3.39Å; A86-T90 PolarHBondContact O-OG1 3.36Å; L87-T90 PolarHBondContact O-N 3.29Å; Y88-T90 VanDerWaalsContact C-N 3.34Å; Y88-T90 PolarHBondContact O-N 3.48Å; T90-S92 VanDerWaalsContact C-N 3.31Å; T90-S92 PolarHBondContact O-N 3.28Å; T90-I93 PolarHBondContact O-N 3.43Å; T90-I94 HydrophobicContact CG2-CD1 3.79Å; T90-I94 HydrophobicContact CG2-CG1 4.49Å; T90-I94 VanDerWaalsContact O-CG1 3.23Å; T90-I94 WeakPolarHBondContact O-CG1 3.35Å; T90-I94 PolarHBondContact O-N 3.3Å |
| 91 | F | 97.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 25% | 0.254 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 177.3 | -71.1 | -16.6 | 0 | 0 | 0 | 112.6 | L87 Y88 L95 L119 Q123 | L87-F91 HydrophobicContact CD1-CD2 4.45Å; L87-F91 HydrophobicContact CD1-CE1 3.92Å; L87-F91 HydrophobicContact CD1-CE2 3.83Å; L87-F91 HydrophobicContact CD1-CZ 3.54Å; L87-F91 HydrophobicContact CD2-CE2 3.98Å; L87-F91 HydrophobicContact CD2-CZ 4.39Å; L87-F91 HydrophobicContact CG-CD2 4.08Å; L87-F91 HydrophobicContact CG-CE2 3.68Å; L87-F91 HydrophobicContact CG-CZ 3.96Å; L87-F91 WeakPolarHBondContact O-CG 2.99Å; L87-F91 PolarHBondContact O-N 2.53Å; Y88-F91 PolarHBondContact O-N 3.33Å; F91-L95 VanDerWaalsContact O-CB 3.23Å; F91-L95 WeakPolarHBondContact O-CB 3.42Å; F91-L95 PolarHBondContact O-N 3.42Å; F91-L119 HydrophobicContact CD1-CD1 4.38Å; F91-Q123 HydrophobicContact CB-CB 4.19Å; F91-Q123 HydrophobicContact CB-CG 4.01Å |
| 92 | S | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -50.6 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | Y88 L89 T90 I94 L95 H96 Q123 | Y88-S92 WeakPolarHBondContact O-CB 3.29Å; Y88-S92 PolarHBondContact O-N 3.4Å; Y88-S92 PolarHBondContact O-OG 2.9Å; L89-S92 PolarHBondContact O-N 2.84Å; T90-S92 VanDerWaalsContact C-N 3.31Å; T90-S92 PolarHBondContact O-N 3.28Å; S92-I94 PolarHBondContact O-N 3.19Å; S92-L95 PolarHBondContact O-N 3.46Å; S92-H96 WeakPolarHBondContact O-CB 3.37Å; S92-H96 PolarHBondContact O-CD2 2.95Å; S92-H96 PolarHBondContact O-N 2.75Å; S92-H96 PolarHBondContact O-ND1 2.73Å; S92-Q123 PolarHBondContact OG-NE2 2.98Å |
| 93 | I | 97.8 | Very high | 95.4 | Very high | 73 Ų | 73 | 45 Ų | 45 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 177.8 | -66.9 | 167.8 | 0 | 0 | 0 | 111.8 | D46 L89 T90 S97 | D46-I93 HydrophobicContact CB-CG1 4.36Å; L89-I93 HydrophobicContact CD1-CD1 3.9Å; L89-I93 HydrophobicContact CD1-CG1 4.2Å; L89-I93 HydrophobicContact CG-CD1 3.88Å; L89-I93 WeakPolarHBondContact O-CG1 3.29Å; L89-I93 PolarHBondContact O-N 2.91Å; T90-I93 PolarHBondContact O-N 3.43Å; I93-S97 VanDerWaalsContact O-CB 3.25Å; I93-S97 WeakPolarHBondContact O-CB 3.45Å; I93-S97 PolarHBondContact O-N 3.03Å; I93-S97 PolarHBondContact O-OG 3.24Å |
| 94 | I | 97.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 47 Ų | 47 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 178.1 | -66.1 | 168.5 | 0 | 0 | 0 | 109.9 | T90 S92 S97 W98 L119 | T90-I94 HydrophobicContact CG2-CD1 3.79Å; T90-I94 HydrophobicContact CG2-CG1 4.49Å; T90-I94 VanDerWaalsContact O-CG1 3.23Å; T90-I94 WeakPolarHBondContact O-CG1 3.35Å; T90-I94 PolarHBondContact O-N 3.3Å; S92-I94 PolarHBondContact O-N 3.19Å; I94-S97 PolarHBondContact O-N 2.94Å; I94-W98 WeakPolarHBondContact O-CB 3.43Å; I94-W98 PolarHBondContact O-N 3.45Å; I94-L119 HydrophobicContact CB-CD2 4.42Å; I94-L119 HydrophobicContact CG2-CD2 3.69Å |
| 95 | L | 96.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | -180 | -179.7 | 66.5 | 0 | 0 | 0 | 111.5 | F91 S92 W98 L99 L116 L119 F120 Q123 | F91-L95 VanDerWaalsContact O-CB 3.23Å; F91-L95 WeakPolarHBondContact O-CB 3.42Å; F91-L95 PolarHBondContact O-N 3.42Å; S92-L95 PolarHBondContact O-N 3.46Å; L95-W98 PolarHBondContact O-N 3.31Å; L95-L99 HydrophobicContact CD1-CD1 4.15Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4Å; L95-L99 WeakPolarHBondContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.35Å; L95-L99 PolarHBondContact O-N 3.48Å; L95-L116 HydrophobicContact CD1-CD1 3.81Å; L95-L119 HydrophobicContact CB-CD2 4.1Å; L95-L119 HydrophobicContact CB-CG 4.36Å; L95-L119 HydrophobicContact CD1-CD2 4.16Å; L95-L119 HydrophobicContact CD1-CG 4.2Å; L95-F120 HydrophobicContact CD1-CB 4.17Å; L95-F120 HydrophobicContact CD1-CD2 4.35Å; L95-F120 HydrophobicContact CD2-CD2 4.05Å; L95-Q123 HydrophobicContact CD2-CB 4.1Å; L95-Q123 HydrophobicContact CD2-CG 4.02Å |
| 96 | H | 96.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 177.8 | -62.7 | 158.8 | 0 | 0 | 0 | 111.2 | F42 Q45 D46 S92 W98 L99 M100 | F42-H96 HydrophobicContact CB-CB 3.94Å; F42-H96 AromaticContact CD1-CD2 3.31Å; F42-H96 WeakPolarHBondContact CD1-CD2 3.4Å; F42-H96 AromaticContact CD1-CE1 3.94Å; F42-H96 AromaticContact CD1-CG 3.89Å; F42-H96 AromaticContact CD1-NE2 3.38Å; F42-H96 WeakPolarHBondContact CD1-NE2 3.46Å; F42-H96 HydrophobicContact CD2-CB 3.76Å; F42-H96 AromaticContact CD2-CD2 3.71Å; F42-H96 AromaticContact CD2-CG 3.8Å; F42-H96 AromaticContact CE1-CD2 3.53Å; F42-H96 AromaticContact CE1-NE2 3.72Å; F42-H96 HydrophobicContact CE2-CB 4.38Å; F42-H96 AromaticContact CE2-CD2 3.9Å; F42-H96 HydrophobicContact CG-CB 3.94Å; F42-H96 AromaticContact CG-CD2 3.4Å; F42-H96 VanDerWaalsContact CG-CD2 3.4Å; F42-H96 WeakPolarHBondContact CG-CD2 3.37Å; F42-H96 AromaticContact CG-CG 3.52Å; F42-H96 AromaticContact CG-ND1 4Å; F42-H96 AromaticContact CG-NE2 3.86Å; F42-H96 AromaticContact CZ-CD2 3.82Å; Q45-H96 PolarHBondContact OE1-NE2 3.19Å; D46-H96 IonicContact OD1-CE1 3.21Å; D46-H96 PolarHBondContact OD1-CE1 3.38Å; D46-H96 IonicContact OD1-ND1 3.08Å; D46-H96 PolarHBondContact OD1-ND1 3.45Å; D46-H96 VanDerWaalsContact OD1-ND1 3.08Å; D46-H96 IonicContact OD2-CE1 3.86Å; D46-H96 IonicContact OD2-ND1 3Å; D46-H96 PolarHBondContact OD2-ND1 3.07Å; S92-H96 WeakPolarHBondContact O-CB 3.37Å; S92-H96 PolarHBondContact O-CD2 2.95Å; S92-H96 PolarHBondContact O-N 2.75Å; S92-H96 PolarHBondContact O-ND1 2.73Å; H96-W98 VanDerWaalsContact C-N 3.33Å; H96-W98 PolarHBondContact O-N 2.95Å; H96-L99 PolarHBondContact O-N 3.17Å; H96-M100 WeakPolarHBondContact O-CB 3.24Å; H96-M100 WeakPolarHBondContact O-CG 3.46Å; H96-M100 PolarHBondContact O-N 3.3Å |
| 97 | S | 96.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | I93 I94 N101 | I93-S97 VanDerWaalsContact O-CB 3.25Å; I93-S97 WeakPolarHBondContact O-CB 3.45Å; I93-S97 PolarHBondContact O-N 3.03Å; I93-S97 PolarHBondContact O-OG 3.24Å; I94-S97 PolarHBondContact O-N 2.94Å; S97-N101 VanDerWaalsContact O-CB 3.3Å; S97-N101 WeakPolarHBondContact O-CB 3.49Å; S97-N101 PolarHBondContact O-N 3.49Å |
| 98 | W | 95.8 | Very high | 91.8 | Very high | 103 Ų | 103 | 61.3 Ų | 61.3 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 179 | -160.7 | -17.2 | 0 | 0 | 0 | 111.5 | I94 L95 H96 M100 N101 L102 L116 L119 | I94-W98 WeakPolarHBondContact O-CB 3.43Å; I94-W98 PolarHBondContact O-N 3.45Å; L95-W98 PolarHBondContact O-N 3.31Å; H96-W98 VanDerWaalsContact C-N 3.33Å; H96-W98 PolarHBondContact O-N 2.95Å; W98-M100 VanDerWaalsContact C-N 3.33Å; W98-M100 PolarHBondContact O-N 3.17Å; W98-N101 PolarHBondContact O-N 2.85Å; W98-L102 WeakPolarHBondContact O-CG 3.37Å; W98-L102 PolarHBondContact O-N 3.47Å; W98-L116 HydrophobicContact CB-CD1 4.2Å; W98-L116 HydrophobicContact CD2-CD1 4.11Å; W98-L116 HydrophobicContact CE3-CD1 4.45Å; W98-L116 HydrophobicContact CG-CD1 3.98Å; W98-L119 HydrophobicContact CE3-CD2 4.08Å |
| 99 | L | 93.9 | Very high | 91 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 176.5 | -79.4 | 170.1 | 0 | 0 | 0 | 111.8 | F42 L95 H96 L102 R103 I111 W112 L116 | F42-L99 HydrophobicContact CE2-CB 4.34Å; F42-L99 HydrophobicContact CE2-CD1 4.23Å; F42-L99 HydrophobicContact CZ-CD1 4.02Å; L95-L99 HydrophobicContact CD1-CD1 4.15Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4Å; L95-L99 WeakPolarHBondContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.35Å; L95-L99 PolarHBondContact O-N 3.48Å; H96-L99 PolarHBondContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 3.02Å; L99-R103 WeakPolarHBondContact O-CB 3.47Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 3.4Å; L99-I111 HydrophobicContact CD2-CD1 3.83Å; L99-W112 HydrophobicContact CD2-CH2 4.47Å; L99-L116 HydrophobicContact CD2-CD1 4.41Å; L99-L116 HydrophobicContact CD2-CD2 3.99Å; L99-L116 HydrophobicContact CG-CD1 4.36Å |
| 100 | M | 93.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 76.8 Ų | 76.8 | 6% | 0.064 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | -179.5 | -66.7 | -62.2 | 88.5 | 0 | 0 | 112.1 | Q38 L39 F42 H96 W98 L102 R103 W104 | Q38-M100 HydrophobicContact CB-CE 4.28Å; Q38-M100 HydrophobicContact CG-CE 3.99Å; L39-M100 HydrophobicContact CB-CG 4.43Å; L39-M100 HydrophobicContact CB-SD 3.77Å; L39-M100 HydrophobicContact CD1-CG 3.87Å; L39-M100 HydrophobicContact CD1-SD 4.34Å; F42-M100 HydrophobicContact CD2-CE 4.27Å; F42-M100 HydrophobicContact CD2-CG 4.01Å; F42-M100 HydrophobicContact CD2-SD 4.2Å; F42-M100 HydrophobicContact CE2-CE 3.79Å; F42-M100 HydrophobicContact CE2-CG 4.33Å; F42-M100 HydrophobicContact CE2-SD 4.33Å; H96-M100 WeakPolarHBondContact O-CB 3.24Å; H96-M100 WeakPolarHBondContact O-CG 3.46Å; H96-M100 PolarHBondContact O-N 3.3Å; W98-M100 VanDerWaalsContact C-N 3.33Å; W98-M100 PolarHBondContact O-N 3.17Å; M100-L102 VanDerWaalsContact C-N 3.27Å; M100-L102 PolarHBondContact O-N 3.49Å; M100-R103 HydrophobicContact CE-CB 4.36Å; M100-R103 PolarHBondContact O-N 3.28Å; M100-W104 VanDerWaalsContact O-CB 3.3Å; M100-W104 WeakPolarHBondContact O-CB 3.44Å; M100-W104 PolarHBondContact O-N 2.86Å |
| 101 | N | 92.6 | Very high | 89.8 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.1 | -41.2 | 174.7 | -177.3 | -96.1 | 0 | 0 | 0 | 112.3 | S97 W98 | S97-N101 VanDerWaalsContact O-CB 3.3Å; S97-N101 WeakPolarHBondContact O-CB 3.49Å; S97-N101 PolarHBondContact O-N 3.49Å; W98-N101 PolarHBondContact O-N 2.85Å |
| 102 | L | 91.5 | Very high | 89.4 | Confident | 54 Ų | 54 | 74.5 Ų | 74.5 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -75.5 | -36.5 | 179.9 | -65.4 | 173.6 | 0 | 0 | 0 | 113 | W98 L99 M100 I111 L116 | W98-L102 WeakPolarHBondContact O-CG 3.37Å; W98-L102 PolarHBondContact O-N 3.47Å; L99-L102 PolarHBondContact O-N 3.02Å; M100-L102 VanDerWaalsContact C-N 3.27Å; M100-L102 PolarHBondContact O-N 3.49Å; L102-I111 HydrophobicContact CB-CB 4.12Å; L102-I111 HydrophobicContact CB-CD1 4.21Å; L102-I111 HydrophobicContact CB-CG2 3.99Å; L102-I111 HydrophobicContact CD1-CB 4.07Å; L102-I111 HydrophobicContact CD1-CD1 4.45Å; L102-L116 HydrophobicContact CD1-CD2 3.95Å |
| 103 | R | 89.3 | Confident | 89.1 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -87.2 | -22.7 | -174 | -68.7 | -178.7 | -179.5 | 172.8 | 3.5 | 114.5 | E29 P35 L99 M100 L105 N106 I111 | E29-R103 IonicContact OE1-CZ 3.49Å; E29-R103 IonicContact OE1-NH1 3.53Å; E29-R103 IonicContact OE1-NH2 2.67Å; E29-R103 PolarHBondContact OE1-NH2 3.3Å; E29-R103 IonicContact OE2-CZ 3.33Å; E29-R103 IonicContact OE2-NH1 2.77Å; E29-R103 PolarHBondContact OE2-NH1 2.88Å; E29-R103 IonicContact OE2-NH2 2.97Å; E29-R103 PolarHBondContact OE2-NH2 3.44Å; P35-R103 HydrophobicContact CB-CB 4.41Å; L99-R103 WeakPolarHBondContact O-CB 3.47Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 3.4Å; M100-R103 HydrophobicContact CE-CB 4.36Å; M100-R103 PolarHBondContact O-N 3.28Å; R103-L105 VanDerWaalsContact C-N 3.26Å; R103-L105 PolarHBondContact O-N 3.37Å; R103-L105 VanDerWaalsContact O-N 3.14Å; R103-N106 PolarHBondContact O-N 2.96Å; R103-I111 HydrophobicContact CG-CD1 3.74Å |
| 104 | W | 88.4 | Confident | 88.9 | Confident | 145 Ų | 145 | 80.9 Ų | 80.9 | 55% | 0.549 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -54.3 | -40 | -169.7 | -166.7 | -107.2 | 0 | 0 | 0 | 114 | L39 M100 | L39-W104 HydrophobicContact CD2-CH2 4.19Å; L39-W104 HydrophobicContact CD2-CZ3 3.77Å; M100-W104 VanDerWaalsContact O-CB 3.3Å; M100-W104 WeakPolarHBondContact O-CB 3.44Å; M100-W104 PolarHBondContact O-N 2.86Å |
| 105 | L | 81.4 | Confident | 88.7 | Confident | 144 Ų | 144 | 79 Ų | 79 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -107.5 | -16.6 | -177.2 | -62.2 | 176.6 | 0 | 0 | 0 | 113.9 | R103 | R103-L105 VanDerWaalsContact C-N 3.26Å; R103-L105 PolarHBondContact O-N 3.37Å; R103-L105 VanDerWaalsContact O-N 3.14Å |
| 106 | N | 79.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 78.9 Ų | 78.9 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | trans | -142 | 70.3 | -170.4 | -75 | -54.9 | 0 | 0 | 0 | 112.3 | R103 N108 R109 | R103-N106 PolarHBondContact O-N 2.96Å; N106-N108 VanDerWaalsContact C-N 3.3Å; N106-N108 PolarHBondContact O-N 3.1Å; N106-R109 HydrophobicContact CB-CB 4.34Å; N106-R109 PolarHBondContact O-N 3.04Å | ||
| 107 | T | 74.1 | Confident | 88.5 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -33 | -174.7 | -43.3 | 0 | 0 | 0 | 0 | 114.8 | R32 T33 | R32-T107 WeakPolarHBondContact O-CG2 3.44Å; T33-T107 WeakPolarHBondContact O-CG2 3.24Å |
| 108 | N | 74.4 | Confident | 88.5 | Confident | 159 Ų | 159 | 84 Ų | 84 | 85% | 0.85 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 4.9 | -173.1 | -77.8 | -25 | 0 | 0 | 0 | 114.8 | N106 | N106-N108 VanDerWaalsContact C-N 3.3Å; N106-N108 PolarHBondContact O-N 3.1Å |
| 109 | R | 80.5 | Confident | 88.6 | Confident | 186 Ų | 186 | 80.3 Ų | 80.3 | 70% | 0.702 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -85.8 | 146.6 | 179.7 | -163.4 | 175.5 | 178.2 | -179.1 | -0.6 | 110.5 | N106 I111 | N106-R109 HydrophobicContact CB-CB 4.34Å; N106-R109 PolarHBondContact O-N 3.04Å; R109-I111 WeakPolarHBondContact O-CG2 3.49Å; R109-I111 PolarHBondContact O-N 2.93Å |
| 110 | F | 83.9 | Confident | 88.6 | Confident | 164 Ų | 164 | 82.7 Ų | 82.7 | 72% | 0.719 | 41% | 0.413 | S | S | * | . | trans | -65.9 | 119.4 | 165.5 | -176.8 | -97.4 | 0 | 0 | 0 | 109.5 | W112 | F110-W112 HydrophobicContact CE1-CB 4.1Å; F110-W112 WeakPolarHBondContact CE1-O 3.31Å; F110-W112 HydrophobicContact CE2-CB 4.1Å; F110-W112 HydrophobicContact CE2-CG 4.47Å; F110-W112 HydrophobicContact CZ-CB 3.68Å | ||
| 111 | I | 86.7 | Confident | 88.7 | Confident | 19 Ų | 19 | 85.8 Ų | 85.8 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | trans | -112.7 | -7.9 | -173.5 | 66 | 162.2 | 0 | 0 | 0 | 114.5 | L99 L102 R103 R109 T113 L116 | L99-I111 HydrophobicContact CD2-CD1 3.83Å; L102-I111 HydrophobicContact CB-CB 4.12Å; L102-I111 HydrophobicContact CB-CD1 4.21Å; L102-I111 HydrophobicContact CB-CG2 3.99Å; L102-I111 HydrophobicContact CD1-CB 4.07Å; L102-I111 HydrophobicContact CD1-CD1 4.45Å; R103-I111 HydrophobicContact CG-CD1 3.74Å; R109-I111 WeakPolarHBondContact O-CG2 3.49Å; R109-I111 PolarHBondContact O-N 2.93Å; I111-T113 PolarHBondContact O-N 3.43Å; I111-T113 VanDerWaalsContact O-N 3.12Å; I111-L116 HydrophobicContact CD1-CD2 4.47Å | ||
| 112 | W | 89 | Confident | 88.9 | Confident | 64 Ų | 64 | 85.9 Ų | 85.9 | 24% | 0.242 | 43% | 0.427 | C | S | . | . | trans | -75.7 | 105.6 | -171.7 | -66.9 | 103.6 | 0 | 0 | 0 | 110.6 | L99 F110 L116 F120 | L99-W112 HydrophobicContact CD2-CH2 4.47Å; F110-W112 HydrophobicContact CE1-CB 4.1Å; F110-W112 WeakPolarHBondContact CE1-O 3.31Å; F110-W112 HydrophobicContact CE2-CB 4.1Å; F110-W112 HydrophobicContact CE2-CG 4.47Å; F110-W112 HydrophobicContact CZ-CB 3.68Å; W112-L116 HydrophobicContact CE3-CD2 3.98Å; W112-L116 HydrophobicContact CE3-CG 4.08Å; W112-L116 HydrophobicContact CZ3-CD2 4.3Å; W112-L116 HydrophobicContact CZ3-CG 4.16Å; W112-F120 AromaticContact CH2-CD2 3.71Å; W112-F120 HydrophobicContact CH2-CD2 3.71Å; W112-F120 AromaticContact CH2-CE2 3.95Å; W112-F120 HydrophobicContact CH2-CE2 3.95Å; W112-F120 HydrophobicContact CH2-CG 4.05Å; W112-F120 HydrophobicContact CH2-CZ 4.47Å; W112-F120 HydrophobicContact CZ3-CB 4Å; W112-F120 AromaticContact CZ3-CD2 3.97Å; W112-F120 HydrophobicContact CZ3-CD2 3.97Å; W112-F120 AromaticContact CZ3-CG 3.93Å; W112-F120 HydrophobicContact CZ3-CG 3.93Å | ||
| 113 | T | 91.6 | Very high | 89.1 | Confident | 66 Ų | 66 | 83.3 Ų | 83.3 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | trans | -93.7 | 158.4 | 169.4 | 63.9 | 0 | 0 | 0 | 0 | 110 | I111 G115 L116 Q117 | I111-T113 PolarHBondContact O-N 3.43Å; I111-T113 VanDerWaalsContact O-N 3.12Å; T113-G115 PolarHBondContact O-N 2.96Å; T113-L116 PolarHBondContact O-N 2.93Å; T113-L116 VanDerWaalsContact O-N 3.1Å; T113-L116 WeakPolarHBondContact OG1-CB 3.26Å; T113-L116 PolarHBondContact OG1-N 2.98Å; T113-Q117 PolarHBondContact O-N 3.45Å | ||
| 114 | D | 93.7 | Very high | 89.4 | Confident | 140 Ų | 140 | 85.5 Ų | 85.5 | 75% | 0.749 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -54 | -43.4 | 178.4 | -60.6 | -23.2 | 0 | 0 | 0 | 111.7 | Q117 V118 | D114-Q117 PolarHBondContact O-N 3.43Å; D114-V118 WeakPolarHBondContact O-CB 3.38Å; D114-V118 VanDerWaalsContact O-CG2 3.24Å; D114-V118 WeakPolarHBondContact O-CG2 3.37Å; D114-V118 PolarHBondContact O-N 3.24Å |
| 115 | G | 93.8 | Very high | 89.7 | Confident | 38 Ų | 38 | 81.7 Ų | 81.7 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T113 Q117 V118 L119 | T113-G115 PolarHBondContact O-N 2.96Å; G115-Q117 VanDerWaalsContact C-N 3.35Å; G115-V118 PolarHBondContact O-N 3.38Å; G115-L119 WeakPolarHBondContact O-CB 3.45Å; G115-L119 PolarHBondContact O-N 3.43Å |
| 116 | L | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 177.6 | -177.9 | 65.2 | 0 | 0 | 0 | 111.2 | L95 W98 L99 L102 I111 W112 T113 L119 F120 | L95-L116 HydrophobicContact CD1-CD1 3.81Å; W98-L116 HydrophobicContact CB-CD1 4.2Å; W98-L116 HydrophobicContact CD2-CD1 4.11Å; W98-L116 HydrophobicContact CE3-CD1 4.45Å; W98-L116 HydrophobicContact CG-CD1 3.98Å; L99-L116 HydrophobicContact CD2-CD1 4.41Å; L99-L116 HydrophobicContact CD2-CD2 3.99Å; L99-L116 HydrophobicContact CG-CD1 4.36Å; L102-L116 HydrophobicContact CD1-CD2 3.95Å; I111-L116 HydrophobicContact CD1-CD2 4.47Å; W112-L116 HydrophobicContact CE3-CD2 3.98Å; W112-L116 HydrophobicContact CE3-CG 4.08Å; W112-L116 HydrophobicContact CZ3-CD2 4.3Å; W112-L116 HydrophobicContact CZ3-CG 4.16Å; T113-L116 PolarHBondContact O-N 2.93Å; T113-L116 VanDerWaalsContact O-N 3.1Å; T113-L116 WeakPolarHBondContact OG1-CB 3.26Å; T113-L116 PolarHBondContact OG1-N 2.98Å; L116-L119 PolarHBondContact O-N 3.27Å; L116-F120 VanDerWaalsContact O-CB 3.27Å; L116-F120 WeakPolarHBondContact O-CB 3.28Å; L116-F120 PolarHBondContact O-N 3.37Å |
| 117 | Q | 94.8 | Very high | 91.1 | Very high | 108 Ų | 108 | 71.1 Ų | 71.1 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 178.2 | -172.2 | 171 | -13.2 | 0 | 0 | 111.7 | T113 D114 G115 F120 V121 | T113-Q117 PolarHBondContact O-N 3.45Å; D114-Q117 PolarHBondContact O-N 3.43Å; G115-Q117 VanDerWaalsContact C-N 3.35Å; Q117-F120 PolarHBondContact O-N 2.99Å; Q117-V121 WeakPolarHBondContact O-CG2 3.38Å; Q117-V121 PolarHBondContact O-N 3.37Å |
| 118 | V | 96.5 | Very high | 92.1 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 173.2 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | D114 G115 F120 V121 F122 | D114-V118 WeakPolarHBondContact O-CB 3.38Å; D114-V118 VanDerWaalsContact O-CG2 3.24Å; D114-V118 WeakPolarHBondContact O-CG2 3.37Å; D114-V118 PolarHBondContact O-N 3.24Å; G115-V118 PolarHBondContact O-N 3.38Å; V118-F120 VanDerWaalsContact C-N 3.3Å; V118-F120 PolarHBondContact O-N 2.86Å; V118-V121 PolarHBondContact O-N 2.92Å; V118-F122 HydrophobicContact CG1-CD2 3.56Å; V118-F122 HydrophobicContact CG1-CE2 3.65Å; V118-F122 VanDerWaalsContact O-CD2 3.31Å; V118-F122 WeakPolarHBondContact O-CD2 3.45Å; V118-F122 PolarHBondContact O-N 3.48Å |
| 119 | L | 96.4 | Very high | 93.1 | Very high | 25 Ų | 25 | 69.9 Ų | 69.9 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | 177.9 | 179.4 | 63.5 | 0 | 0 | 0 | 111.8 | F91 I94 L95 W98 G115 L116 F122 Q123 | F91-L119 HydrophobicContact CD1-CD1 4.38Å; I94-L119 HydrophobicContact CB-CD2 4.42Å; I94-L119 HydrophobicContact CG2-CD2 3.69Å; L95-L119 HydrophobicContact CB-CD2 4.1Å; L95-L119 HydrophobicContact CB-CG 4.36Å; L95-L119 HydrophobicContact CD1-CD2 4.16Å; L95-L119 HydrophobicContact CD1-CG 4.2Å; W98-L119 HydrophobicContact CE3-CD2 4.08Å; G115-L119 WeakPolarHBondContact O-CB 3.45Å; G115-L119 PolarHBondContact O-N 3.43Å; L116-L119 PolarHBondContact O-N 3.27Å; L119-F122 PolarHBondContact O-N 2.95Å; L119-Q123 VanDerWaalsContact O-CB 3.28Å; L119-Q123 WeakPolarHBondContact O-CB 3.48Å; L119-Q123 PolarHBondContact O-N 2.96Å |
| 120 | F | 95.5 | Very high | 93.9 | Very high | 53 Ų | 53 | 61 Ų | 61 | 23% | 0.232 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 176.5 | -178.1 | -91.9 | 0 | 0 | 0 | 111.2 | L95 W112 L116 Q117 V118 F122 Q123 R124 | L95-F120 HydrophobicContact CD1-CB 4.17Å; L95-F120 HydrophobicContact CD1-CD2 4.35Å; L95-F120 HydrophobicContact CD2-CD2 4.05Å; W112-F120 AromaticContact CH2-CD2 3.71Å; W112-F120 HydrophobicContact CH2-CD2 3.71Å; W112-F120 AromaticContact CH2-CE2 3.95Å; W112-F120 HydrophobicContact CH2-CE2 3.95Å; W112-F120 HydrophobicContact CH2-CG 4.05Å; W112-F120 HydrophobicContact CH2-CZ 4.47Å; W112-F120 HydrophobicContact CZ3-CB 4Å; W112-F120 AromaticContact CZ3-CD2 3.97Å; W112-F120 HydrophobicContact CZ3-CD2 3.97Å; W112-F120 AromaticContact CZ3-CG 3.93Å; W112-F120 HydrophobicContact CZ3-CG 3.93Å; L116-F120 VanDerWaalsContact O-CB 3.27Å; L116-F120 WeakPolarHBondContact O-CB 3.28Å; L116-F120 PolarHBondContact O-N 3.37Å; Q117-F120 PolarHBondContact O-N 2.99Å; V118-F120 VanDerWaalsContact C-N 3.3Å; V118-F120 PolarHBondContact O-N 2.86Å; F120-F122 PolarHBondContact O-N 3.45Å; F120-Q123 PolarHBondContact O-N 2.71Å; F120-R124 HydrophobicContact CE1-CG 4.27Å; F120-R124 HydrophobicContact CZ-CG 4.44Å; F120-R124 VanDerWaalsContact O-CG 3.31Å; F120-R124 WeakPolarHBondContact O-CG 3.44Å; F120-R124 PolarHBondContact O-N 3.34Å |
| 121 | V | 96.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 55 Ų | 55 | 47% | 0.473 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | Q117 V118 R124 S125 | Q117-V121 WeakPolarHBondContact O-CG2 3.38Å; Q117-V121 PolarHBondContact O-N 3.37Å; V118-V121 PolarHBondContact O-N 2.92Å; V121-R124 PolarHBondContact O-N 3.42Å; V121-S125 WeakPolarHBondContact O-CB 3.29Å; V121-S125 PolarHBondContact O-N 2.78Å; V121-S125 PolarHBondContact O-OG 3.13Å |
| 122 | F | 95.5 | Very high | 94.8 | Very high | 128 Ų | 128 | 60.5 Ų | 60.5 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 177.7 | -90.4 | -71.2 | 0 | 0 | 0 | 112.1 | V118 L119 F120 R124 S125 A126 | V118-F122 HydrophobicContact CG1-CD2 3.56Å; V118-F122 HydrophobicContact CG1-CE2 3.65Å; V118-F122 VanDerWaalsContact O-CD2 3.31Å; V118-F122 WeakPolarHBondContact O-CD2 3.45Å; V118-F122 PolarHBondContact O-N 3.48Å; L119-F122 PolarHBondContact O-N 2.95Å; F120-F122 PolarHBondContact O-N 3.45Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.28Å; F122-S125 PolarHBondContact O-N 2.9Å; F122-A126 VanDerWaalsContact O-CB 3.31Å; F122-A126 WeakPolarHBondContact O-CB 3.29Å; F122-A126 PolarHBondContact O-N 2.74Å |
| 123 | Q | 97 | Very high | 95 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 178.5 | -174 | -84.2 | -14.2 | 0 | 0 | 111.2 | N25 Y88 F91 S92 L95 L119 F120 A126 S127 | N25-Q123 PolarHBondContact OD1-NE2 3.42Å; N25-Q123 PolarHBondContact OD1-OE1 3.4Å; Y88-Q123 HydrophobicContact CE2-CG 4.35Å; Y88-Q123 VanDerWaalsContact CE2-NE2 3.28Å; F91-Q123 HydrophobicContact CB-CB 4.19Å; F91-Q123 HydrophobicContact CB-CG 4.01Å; S92-Q123 PolarHBondContact OG-NE2 2.98Å; L95-Q123 HydrophobicContact CD2-CB 4.1Å; L95-Q123 HydrophobicContact CD2-CG 4.02Å; L119-Q123 VanDerWaalsContact O-CB 3.28Å; L119-Q123 WeakPolarHBondContact O-CB 3.48Å; L119-Q123 PolarHBondContact O-N 2.96Å; F120-Q123 PolarHBondContact O-N 2.71Å; Q123-A126 PolarHBondContact O-N 2.94Å; Q123-S127 PolarHBondContact O-N 3.45Å |
| 124 | R | 95.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.4 | -35.1 | 174.6 | -62.1 | -49.1 | 170.6 | 117.5 | -10.7 | 114.3 | N25 F120 V121 F122 A126 S127 V128 | N25-R124 WeakPolarHBondContact ND2-CD 3.34Å; N25-R124 PolarHBondContact O-NH1 3.05Å; N25-R124 PolarHBondContact O-NH2 3.26Å; N25-R124 VanDerWaalsContact OD1-CD 3.32Å; N25-R124 WeakPolarHBondContact OD1-CD 3.01Å; N25-R124 PolarHBondContact OD1-NE 3.27Å; N25-R124 PolarHBondContact OD1-NH1 2.7Å; N25-R124 PolarHBondContact OD1-NH2 3.25Å; N25-R124 VanDerWaalsContact OD1-NH2 3.15Å; F120-R124 HydrophobicContact CE1-CG 4.27Å; F120-R124 HydrophobicContact CZ-CG 4.44Å; F120-R124 VanDerWaalsContact O-CG 3.31Å; F120-R124 WeakPolarHBondContact O-CG 3.44Å; F120-R124 PolarHBondContact O-N 3.34Å; V121-R124 PolarHBondContact O-N 3.42Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.28Å; R124-A126 VanDerWaalsContact C-N 3.34Å; R124-S127 PolarHBondContact O-N 2.95Å; R124-S127 PolarHBondContact O-OG 3.22Å; R124-V128 PolarHBondContact O-N 3.28Å |
| 125 | S | 94.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 175 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | V121 F122 S127 V128 | V121-S125 WeakPolarHBondContact O-CB 3.29Å; V121-S125 PolarHBondContact O-N 2.78Å; V121-S125 PolarHBondContact O-OG 3.13Å; F122-S125 PolarHBondContact O-N 2.9Å; S125-S127 VanDerWaalsContact C-N 3.34Å; S125-V128 PolarHBondContact O-N 2.98Å |
| 126 | A | 94.3 | Very high | 95 | Very high | 11 Ų | 11 | 62 Ų | 62 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y88 F122 Q123 R124 V128 L129 Y130 | Y88-A126 HydrophobicContact CD2-CB 4.33Å; F122-A126 VanDerWaalsContact O-CB 3.31Å; F122-A126 WeakPolarHBondContact O-CB 3.29Å; F122-A126 PolarHBondContact O-N 2.74Å; Q123-A126 PolarHBondContact O-N 2.94Å; R124-A126 VanDerWaalsContact C-N 3.34Å; A126-V128 PolarHBondContact O-N 3.45Å; A126-L129 PolarHBondContact O-N 3.06Å; A126-Y130 WeakPolarHBondContact O-CB 3.48Å; A126-Y130 PolarHBondContact O-N 2.92Å |
| 127 | S | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 178.4 | 78.3 | 0 | 0 | 0 | 0 | 112.2 | N25 Y88 Q123 R124 S125 L129 Y130 Y131 | N25-S127 WeakPolarHBondContact ND2-CB 3.45Å; N25-S127 PolarHBondContact ND2-OG 2.84Å; N25-S127 VanDerWaalsContact ND2-OG 3.16Å; Y88-S127 WeakPolarHBondContact OH-CB 3.31Å; Q123-S127 PolarHBondContact O-N 3.45Å; R124-S127 PolarHBondContact O-N 2.95Å; R124-S127 PolarHBondContact O-OG 3.22Å; S125-S127 VanDerWaalsContact C-N 3.34Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-L129 PolarHBondContact O-N 2.91Å; S127-Y130 WeakPolarHBondContact O-CB 3.39Å; S127-Y130 PolarHBondContact O-N 3.26Å; S127-Y131 WeakPolarHBondContact O-CD2 3.43Å; S127-Y131 PolarHBondContact O-N 3.23Å |
| 128 | V | 95.6 | Very high | 94.6 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 58% | 0.576 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.7 | -46.1 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | R124 S125 A126 Y131 Y132 | R124-V128 PolarHBondContact O-N 3.28Å; S125-V128 PolarHBondContact O-N 2.98Å; A126-V128 PolarHBondContact O-N 3.45Å; V128-Y131 PolarHBondContact O-N 2.94Å; V128-Y132 PolarHBondContact O-N 3.41Å; V128-Y132 VanDerWaalsContact O-N 3.13Å |
| 129 | L | 94.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 175.9 | -64 | 177.2 | 0 | 0 | 0 | 110.6 | L84 A126 S127 Y131 Y132 F133 | L84-L129 HydrophobicContact CD1-CB 4.34Å; L84-L129 HydrophobicContact CD2-CB 3.99Å; A126-L129 PolarHBondContact O-N 3.06Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-L129 PolarHBondContact O-N 2.91Å; L129-Y131 PolarHBondContact O-N 2.85Å; L129-Y132 PolarHBondContact O-N 3.35Å; L129-F133 HydrophobicContact CB-CD2 4.46Å; L129-F133 VanDerWaalsContact O-CD2 3.27Å; L129-F133 WeakPolarHBondContact O-CD2 3.27Å; L129-F133 PolarHBondContact O-N 2.87Å |
| 130 | Y | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.3 | -49.4 | 178.3 | 166.7 | -105.2 | 0 | 0 | 0 | 111.2 | L18 S85 Y88 A126 S127 Y132 F133 Y134 | L18-Y130 HydrophobicContact CD2-CD1 4.47Å; L18-Y130 HydrophobicContact CD2-CE1 3.64Å; S85-Y130 WeakPolarHBondContact OG-CE2 3.28Å; Y88-Y130 AromaticContact CD1-CD1 3.49Å; Y88-Y130 HydrophobicContact CD1-CD1 3.49Å; Y88-Y130 VanDerWaalsContact CD1-CD1 3.49Å; Y88-Y130 HydrophobicContact CD1-CD2 4.09Å; Y88-Y130 AromaticContact CD1-CE1 3.85Å; Y88-Y130 HydrophobicContact CD1-CE1 3.85Å; Y88-Y130 HydrophobicContact CD1-CE2 4.39Å; Y88-Y130 AromaticContact CD1-CG 3.63Å; Y88-Y130 HydrophobicContact CD1-CG 3.63Å; Y88-Y130 AromaticContact CE1-CD1 3.55Å; Y88-Y130 HydrophobicContact CE1-CD1 3.55Å; Y88-Y130 AromaticContact CE1-CE1 3.81Å; Y88-Y130 HydrophobicContact CE1-CE1 3.81Å; Y88-Y130 HydrophobicContact CE1-CG 4.16Å; Y88-Y130 HydrophobicContact CG-CD1 4.3Å; Y88-Y130 HydrophobicContact CG-CG 4.08Å; A126-Y130 WeakPolarHBondContact O-CB 3.48Å; A126-Y130 PolarHBondContact O-N 2.92Å; S127-Y130 WeakPolarHBondContact O-CB 3.39Å; S127-Y130 PolarHBondContact O-N 3.26Å; Y130-Y132 PolarHBondContact O-N 3.1Å; Y130-F133 PolarHBondContact O-N 3.28Å; Y130-Y134 AromaticContact CE2-CD2 3.86Å; Y130-Y134 HydrophobicContact CE2-CD2 3.86Å; Y130-Y134 AromaticContact CZ-CD2 3.93Å; Y130-Y134 WeakPolarHBondContact O-CB 3.35Å; Y130-Y134 PolarHBondContact O-N 3.18Å |
| 131 | Y | 95.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.9 | -57 | -31 | 0 | 0 | 0 | 112.7 | L18 D21 L22 N25 Y88 S127 V128 L129 K135 | L18-Y131 HydrophobicContact CD2-CD1 3.88Å; L18-Y131 HydrophobicContact CD2-CE1 4.32Å; D21-Y131 WeakPolarHBondContact OD2-CE1 3.35Å; D21-Y131 PolarHBondContact OD2-OH 3.24Å; L22-Y131 HydrophobicContact CB-CE2 4.4Å; L22-Y131 HydrophobicContact CD1-CD2 4.31Å; L22-Y131 HydrophobicContact CD1-CE2 3.63Å; N25-Y131 PolarHBondContact ND2-OH 3.09Å; Y88-Y131 PolarHBondContact OH-OH 2.92Å; S127-Y131 WeakPolarHBondContact O-CD2 3.43Å; S127-Y131 PolarHBondContact O-N 3.23Å; V128-Y131 PolarHBondContact O-N 2.94Å; L129-Y131 PolarHBondContact O-N 2.85Å; Y131-K135 WeakPolarHBondContact O-CB 3.38Å; Y131-K135 PolarHBondContact O-N 3.36Å |
| 132 | Y | 94.8 | Very high | 92.5 | Very high | 133 Ų | 133 | 56.2 Ų | 56.2 | 52% | 0.522 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -52.7 | 179.3 | 172.9 | -99.5 | 0 | 0 | 0 | 111.8 | V128 L129 Y130 Y134 K135 R136 | V128-Y132 PolarHBondContact O-N 3.41Å; V128-Y132 VanDerWaalsContact O-N 3.13Å; L129-Y132 PolarHBondContact O-N 3.35Å; Y130-Y132 PolarHBondContact O-N 3.1Å; Y132-Y134 PolarHBondContact O-N 3.12Å; Y132-K135 PolarHBondContact O-N 3.45Å; Y132-R136 WeakPolarHBondContact O-CB 3.44Å; Y132-R136 PolarHBondContact O-N 3.39Å; Y132-R136 VanDerWaalsContact O-N 3.08Å |
| 133 | F | 93.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 31% | 0.307 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | -178.7 | -81.1 | -74.2 | 0 | 0 | 0 | 111.8 | L81 L84 L129 Y130 R136 T137 | L81-F133 HydrophobicContact CD1-CB 4.1Å; L84-F133 HydrophobicContact CD2-CB 4.05Å; L84-F133 HydrophobicContact CD2-CD2 3.62Å; L84-F133 HydrophobicContact CD2-CE2 4.49Å; L84-F133 HydrophobicContact CD2-CG 4.14Å; L129-F133 HydrophobicContact CB-CD2 4.46Å; L129-F133 VanDerWaalsContact O-CD2 3.27Å; L129-F133 WeakPolarHBondContact O-CD2 3.27Å; L129-F133 PolarHBondContact O-N 2.87Å; Y130-F133 PolarHBondContact O-N 3.28Å; F133-R136 PolarHBondContact O-N 2.97Å; F133-T137 WeakPolarHBondContact O-CB 3.2Å; F133-T137 PolarHBondContact O-N 3.46Å; F133-T137 PolarHBondContact O-OG1 3.21Å |
| 134 | Y | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -51.5 | 177.5 | -168.7 | -75.1 | 0 | 0 | 0 | 111.1 | Q14 L18 N52 I56 L81 Y130 Y132 R136 T137 A138 | Q14-Y134 HydrophobicContact CB-CE1 4.04Å; Q14-Y134 HydrophobicContact CG-CE1 4.3Å; Q14-Y134 WeakPolarHBondContact CG-OH 3.23Å; Q14-Y134 PolarHBondContact NE2-OH 2.7Å; L18-Y134 HydrophobicContact CD1-CD1 3.53Å; L18-Y134 HydrophobicContact CD1-CE1 4.03Å; L18-Y134 HydrophobicContact CD1-CG 4.21Å; L18-Y134 HydrophobicContact CD2-CD1 4.28Å; L18-Y134 HydrophobicContact CD2-CG 4.27Å; L18-Y134 HydrophobicContact CG-CD1 4.15Å; L18-Y134 HydrophobicContact CG-CE1 4.37Å; N52-Y134 WeakPolarHBondContact CA-OH 3.4Å; N52-Y134 HydrophobicContact CB-CE2 3.64Å; N52-Y134 WeakPolarHBondContact CB-OH 3.39Å; N52-Y134 WeakPolarHBondContact O-CE2 3.23Å; N52-Y134 PolarHBondContact O-OH 2.95Å; N52-Y134 PolarHBondContact OD1-OH 3.02Å; N52-Y134 VanDerWaalsContact OD1-OH 3.07Å; I56-Y134 HydrophobicContact CD1-CE1 4.4Å; I56-Y134 HydrophobicContact CD1-CE2 4.26Å; I56-Y134 HydrophobicContact CG1-CD2 4.28Å; I56-Y134 HydrophobicContact CG1-CE1 4.36Å; I56-Y134 HydrophobicContact CG1-CE2 3.48Å; I56-Y134 VanDerWaalsContact CG1-CE2 3.48Å; I56-Y134 WeakPolarHBondContact CG1-OH 3.49Å; L81-Y134 HydrophobicContact CD1-CD2 4.37Å; Y130-Y134 AromaticContact CE2-CD2 3.86Å; Y130-Y134 HydrophobicContact CE2-CD2 3.86Å; Y130-Y134 AromaticContact CZ-CD2 3.93Å; Y130-Y134 WeakPolarHBondContact O-CB 3.35Å; Y130-Y134 PolarHBondContact O-N 3.18Å; Y132-Y134 PolarHBondContact O-N 3.12Å; Y134-R136 VanDerWaalsContact C-N 3.33Å; Y134-R136 PolarHBondContact O-N 2.67Å; Y134-T137 PolarHBondContact O-N 3.46Å; Y134-A138 HydrophobicContact CE1-CB 4.47Å; Y134-A138 WeakPolarHBondContact O-CB 3.5Å; Y134-A138 PolarHBondContact O-N 3.22Å |
| 135 | K | 93 | Very high | 89.7 | Confident | 121 Ų | 121 | 62.5 Ų | 62.5 | 53% | 0.526 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 178.5 | -178.4 | -178.2 | 172.3 | -176.6 | 0 | 111.2 | Y131 Y132 T137 A138 E139 | Y131-K135 WeakPolarHBondContact O-CB 3.38Å; Y131-K135 PolarHBondContact O-N 3.36Å; Y132-K135 PolarHBondContact O-N 3.45Å; K135-T137 VanDerWaalsContact C-N 3.32Å; K135-T137 PolarHBondContact O-N 2.83Å; K135-A138 PolarHBondContact O-N 3Å; K135-E139 WeakPolarHBondContact CE-OE1 3.38Å; K135-E139 IonicContact NZ-OE1 3.95Å; K135-E139 WeakPolarHBondContact O-CG 3.39Å; K135-E139 PolarHBondContact O-N 2.94Å |
| 136 | R | 91.6 | Very high | 88.5 | Confident | 147 Ų | 147 | 59.7 Ų | 59.7 | 56% | 0.555 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.5 | -42 | 179.4 | -176.7 | 177.4 | 179.7 | 178.9 | -1.2 | 112.2 | Y132 F133 Y134 Y140 | Y132-R136 WeakPolarHBondContact O-CB 3.44Å; Y132-R136 PolarHBondContact O-N 3.39Å; Y132-R136 VanDerWaalsContact O-N 3.08Å; F133-R136 PolarHBondContact O-N 2.97Å; Y134-R136 VanDerWaalsContact C-N 3.33Å; Y134-R136 PolarHBondContact O-N 2.67Å; R136-Y140 WeakPolarHBondContact O-CB 3.31Å; R136-Y140 PolarHBondContact O-N 2.77Å; R136-Y140 VanDerWaalsContact O-N 3.09Å |
| 137 | T | 90.5 | Very high | 87.4 | Confident | 15 Ų | 15 | 61 Ų | 61 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73 | -37.4 | 178.3 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | I56 F78 L81 F133 Y134 K135 Y140 L141 | I56-T137 HydrophobicContact CD1-CG2 4.18Å; F78-T137 HydrophobicContact CD1-CG2 3.48Å; F78-T137 VanDerWaalsContact CD1-CG2 3.48Å; F78-T137 HydrophobicContact CE1-CG2 3.54Å; L81-T137 VanDerWaalsContact CD2-CB 3.49Å; L81-T137 HydrophobicContact CD2-CG2 3.4Å; L81-T137 VanDerWaalsContact CD2-CG2 3.4Å; F133-T137 WeakPolarHBondContact O-CB 3.2Å; F133-T137 PolarHBondContact O-N 3.46Å; F133-T137 PolarHBondContact O-OG1 3.21Å; Y134-T137 PolarHBondContact O-N 3.46Å; K135-T137 VanDerWaalsContact C-N 3.32Å; K135-T137 PolarHBondContact O-N 2.83Å; T137-Y140 PolarHBondContact O-N 3.01Å; T137-L141 HydrophobicContact CG2-CD1 3.8Å; T137-L141 HydrophobicContact CG2-CG 4.31Å; T137-L141 WeakPolarHBondContact O-CB 3.4Å; T137-L141 WeakPolarHBondContact O-CG 3.25Å; T137-L141 PolarHBondContact O-N 2.91Å |
| 138 | A | 89.7 | Confident | 86.2 | Confident | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.3 | -56.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y7 L11 Y134 K135 Y140 L141 G142 | Y7-A138 VanDerWaalsContact OH-C 3.28Å; Y7-A138 PolarHBondContact OH-O 3.08Å; L11-A138 HydrophobicContact CD1-CB 4.26Å; Y134-A138 HydrophobicContact CE1-CB 4.47Å; Y134-A138 WeakPolarHBondContact O-CB 3.5Å; Y134-A138 PolarHBondContact O-N 3.22Å; K135-A138 PolarHBondContact O-N 3Å; A138-Y140 VanDerWaalsContact C-N 3.28Å; A138-Y140 PolarHBondContact O-N 3.24Å; A138-L141 CarbonylContact O-C 3.54Å; A138-L141 PolarHBondContact O-N 3.31Å; A138-G142 PolarHBondContact O-N 3.03Å; A138-G142 VanDerWaalsContact O-N 3.11Å |
| 139 | E | 87.2 | Confident | 84.8 | Confident | 114 Ų | 114 | 65.1 Ų | 65.1 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.7 | -42.7 | 177.2 | -71.6 | 174.1 | -178.2 | 0 | 0 | 112.8 | K135 G142 | K135-E139 WeakPolarHBondContact CE-OE1 3.38Å; K135-E139 IonicContact NZ-OE1 3.95Å; K135-E139 WeakPolarHBondContact O-CG 3.39Å; K135-E139 PolarHBondContact O-N 2.94Å; E139-G142 PolarHBondContact O-N 3.03Å; E139-G142 VanDerWaalsContact O-N 3.08Å |
| 140 | Y | 85.6 | Confident | 83.6 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 178.1 | -174.6 | -98.9 | 0 | 0 | 0 | 112.8 | R77 F78 R136 T137 A138 G142 D143 L146 | R77-Y140 PolarHBondContact NH1-OH 3.07Å; R77-Y140 VanDerWaalsContact NH2-CE2 3.34Å; R77-Y140 PolarHBondContact NH2-OH 2.95Å; F78-Y140 AromaticContact CE1-CD1 3.78Å; F78-Y140 HydrophobicContact CE1-CD1 3.78Å; F78-Y140 HydrophobicContact CE1-CE1 4.34Å; F78-Y140 AromaticContact CZ-CD1 3.56Å; F78-Y140 HydrophobicContact CZ-CD1 3.56Å; F78-Y140 AromaticContact CZ-CE1 3.77Å; F78-Y140 HydrophobicContact CZ-CE1 3.77Å; R136-Y140 WeakPolarHBondContact O-CB 3.31Å; R136-Y140 PolarHBondContact O-N 2.77Å; R136-Y140 VanDerWaalsContact O-N 3.09Å; T137-Y140 PolarHBondContact O-N 3.01Å; A138-Y140 VanDerWaalsContact C-N 3.28Å; A138-Y140 PolarHBondContact O-N 3.24Å; Y140-G142 PolarHBondContact O-N 3.47Å; Y140-D143 WeakPolarHBondContact O-CB 3.36Å; Y140-D143 PolarHBondContact O-N 3.5Å; Y140-L146 HydrophobicContact CD1-CD1 4.17Å; Y140-L146 HydrophobicContact CE1-CD1 3.87Å; Y140-L146 HydrophobicContact CE1-CD2 4.35Å; Y140-L146 VanDerWaalsContact O-CD1 3.22Å; Y140-L146 WeakPolarHBondContact O-CD1 3.39Å |
| 141 | L | 84.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.9 | -9.9 | 173.6 | -76.6 | 167.5 | 0 | 0 | 0 | 112.6 | I56 M59 T63 F78 T137 A138 D143 Y147 | I56-L141 HydrophobicContact CD1-CD1 3.93Å; I56-L141 HydrophobicContact CG2-CD1 4.41Å; M59-L141 HydrophobicContact CB-CD1 4.18Å; M59-L141 HydrophobicContact CE-CB 4.32Å; M59-L141 HydrophobicContact CE-CD1 3.97Å; T63-L141 HydrophobicContact CG2-CD2 4.11Å; F78-L141 HydrophobicContact CE1-CG 4.44Å; F78-L141 HydrophobicContact CE2-CD2 4.37Å; F78-L141 HydrophobicContact CZ-CD2 4.01Å; F78-L141 HydrophobicContact CZ-CG 4.22Å; T137-L141 HydrophobicContact CG2-CD1 3.8Å; T137-L141 HydrophobicContact CG2-CG 4.31Å; T137-L141 WeakPolarHBondContact O-CB 3.4Å; T137-L141 WeakPolarHBondContact O-CG 3.25Å; T137-L141 PolarHBondContact O-N 2.91Å; A138-L141 CarbonylContact O-C 3.54Å; A138-L141 PolarHBondContact O-N 3.31Å; L141-D143 VanDerWaalsContact C-N 3.33Å; L141-Y147 VanDerWaalsContact O-CE2 3.31Å; L141-Y147 WeakPolarHBondContact O-CE2 3.46Å; L141-Y147 PolarHBondContact O-OH 3.42Å |
| 142 | G | 82 | Confident | 81.4 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y7 A138 E139 Y140 P144 | Y7-G142 VanDerWaalsContact CE1-CA 3.42Å; Y7-G142 VanDerWaalsContact CE2-CA 3.41Å; Y7-G142 VanDerWaalsContact OH-CA 3.25Å; Y7-G142 WeakPolarHBondContact OH-CA 3.46Å; Y7-G142 PolarHBondContact OH-N 2.91Å; A138-G142 PolarHBondContact O-N 3.03Å; A138-G142 VanDerWaalsContact O-N 3.11Å; E139-G142 PolarHBondContact O-N 3.03Å; E139-G142 VanDerWaalsContact O-N 3.08Å; Y140-G142 PolarHBondContact O-N 3.47Å; G142-P144 VanDerWaalsContact O-CD 3.26Å; G142-P144 WeakPolarHBondContact O-CD 3.49Å |
| 143 | D | 81.6 | Confident | 80.1 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | trans | -68.4 | 116.9 | 179.3 | -169.7 | -18.1 | 0 | 0 | 0 | 110.4 | Y140 L141 R145 L146 | Y140-D143 WeakPolarHBondContact O-CB 3.36Å; Y140-D143 PolarHBondContact O-N 3.5Å; L141-D143 VanDerWaalsContact C-N 3.33Å; D143-R145 PolarHBondContact O-N 3.34Å; D143-R145 VanDerWaalsContact OD1-CB 3.31Å; D143-R145 WeakPolarHBondContact OD1-CB 3.31Å; D143-R145 VanDerWaalsContact OD1-CG 3.25Å; D143-R145 WeakPolarHBondContact OD1-CG 3.38Å; D143-R145 PolarHBondContact OD1-N 3.47Å; D143-L146 HydrophobicContact CB-CD1 4.37Å; D143-L146 PolarHBondContact O-N 2.98Å; D143-L146 VanDerWaalsContact O-N 3.14Å | ||
| 144 | P | 74.9 | Confident | 79 | Confident | 80 Ų | 80 | 67.8 Ų | 67.8 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -56.1 | -26.1 | 179.1 | -24.4 | 34.3 | 0 | 0 | 0 | 113.4 | G142 L146 Y147 E148 | G142-P144 VanDerWaalsContact O-CD 3.26Å; G142-P144 WeakPolarHBondContact O-CD 3.49Å; P144-L146 PolarHBondContact O-N 3Å; P144-L146 VanDerWaalsContact O-N 3.1Å; P144-Y147 PolarHBondContact O-N 3.39Å; P144-E148 PolarHBondContact O-N 3.36Å |
| 145 | R | 72.7 | Confident | 78.1 | Confident | 178 Ų | 178 | 74.2 Ų | 74.2 | 67% | 0.672 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -62 | -18.7 | -179.4 | -64.4 | 172.7 | 178 | -169 | 0.6 | 113.9 | D143 Y147 S150 | D143-R145 PolarHBondContact O-N 3.34Å; D143-R145 VanDerWaalsContact OD1-CB 3.31Å; D143-R145 WeakPolarHBondContact OD1-CB 3.31Å; D143-R145 VanDerWaalsContact OD1-CG 3.25Å; D143-R145 WeakPolarHBondContact OD1-CG 3.38Å; D143-R145 PolarHBondContact OD1-N 3.47Å; R145-Y147 VanDerWaalsContact C-N 3.33Å; R145-S150 PolarHBondContact O-OG 2.95Å |
| 146 | L | 70.1 | Confident | 77.1 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -79.2 | -16.5 | 175.2 | -71.7 | 163.9 | 0 | 0 | 0 | 113.2 | T63 Y64 V65 Y140 D143 P144 | T63-L146 HydrophobicContact CG2-CB 4.34Å; Y64-L146 PolarHBondContact N-O 3.08Å; V65-L146 HydrophobicContact CG2-CD2 4.32Å; Y140-L146 HydrophobicContact CD1-CD1 4.17Å; Y140-L146 HydrophobicContact CE1-CD1 3.87Å; Y140-L146 HydrophobicContact CE1-CD2 4.35Å; Y140-L146 VanDerWaalsContact O-CD1 3.22Å; Y140-L146 WeakPolarHBondContact O-CD1 3.39Å; D143-L146 HydrophobicContact CB-CD1 4.37Å; D143-L146 PolarHBondContact O-N 2.98Å; D143-L146 VanDerWaalsContact O-N 3.14Å; P144-L146 PolarHBondContact O-N 3Å; P144-L146 VanDerWaalsContact O-N 3.1Å |
| 147 | Y | 72.1 | Confident | 76.1 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -7.4 | -175.4 | -62.6 | -82.9 | 0 | 0 | 0 | 113.5 | L2 M59 N62 T63 L141 P144 R145 | L2-Y147 HydrophobicContact CD1-CE1 4.31Å; M59-Y147 PolarHBondContact O-OH 3.28Å; N62-Y147 HydrophobicContact CB-CE1 4.22Å; N62-Y147 VanDerWaalsContact O-CD1 3.3Å; N62-Y147 WeakPolarHBondContact O-CD1 3.4Å; N62-Y147 WeakPolarHBondContact O-CE1 3.37Å; T63-Y147 HydrophobicContact CG2-CE1 3.91Å; L141-Y147 VanDerWaalsContact O-CE2 3.31Å; L141-Y147 WeakPolarHBondContact O-CE2 3.46Å; L141-Y147 PolarHBondContact O-OH 3.42Å; P144-Y147 PolarHBondContact O-N 3.39Å; R145-Y147 VanDerWaalsContact C-N 3.33Å |
| 148 | E | 70.6 | Confident | 75.2 | Confident | 110 Ų | 110 | 69.4 Ų | 69.4 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -117.9 | 153.2 | 178.8 | -65 | -179 | -179.8 | 0 | 0 | 111.2 | P144 S150 L153 | P144-E148 PolarHBondContact O-N 3.36Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 2.93Å; E148-L153 WeakPolarHBondContact O-CD1 3.18Å |
| 149 | D | 65.8 | Low | 74.4 | Confident | 76 Ų | 76 | 79 Ų | 79 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | trans | -70.1 | 88.7 | 174.9 | -177.6 | 14.5 | 0 | 0 | 0 | 109.8 | Y64 R154 | Y64-D149 HydrophobicContact CE1-CB 4.33Å; D149-R154 WeakPolarHBondContact OD1-CG 3.33Å; D149-R154 IonicContact OD1-NE 3.18Å; D149-R154 PolarHBondContact OD1-NE 3.42Å; D149-R154 IonicContact OD2-CZ 3.36Å; D149-R154 IonicContact OD2-NE 3.21Å; D149-R154 PolarHBondContact OD2-NE 3.38Å; D149-R154 IonicContact OD2-NH2 2.7Å; D149-R154 PolarHBondContact OD2-NH2 3.02Å | ||
| 150 | S | 70.2 | Confident | 73.3 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | trans | -93.2 | 154.9 | -177.3 | 66 | 0 | 0 | 0 | 0 | 112.4 | R145 E148 W152 L153 R154 | R145-S150 PolarHBondContact O-OG 2.95Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 2.93Å; S150-W152 PolarHBondContact O-N 3.4Å; S150-L153 VanDerWaalsContact O-CB 3.29Å; S150-L153 WeakPolarHBondContact O-CB 3.3Å; S150-L153 PolarHBondContact O-N 2.95Å; S150-R154 PolarHBondContact O-N 3.42Å | ||
| 151 | P | 70.4 | Confident | 72.2 | Confident | 103 Ų | 103 | 84.4 Ų | 84.4 | 67% | 0.669 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.3 | -37.1 | 178.8 | -24.2 | 32.8 | 0 | 0 | 0 | 113.3 | L153 R154 E155 | P151-L153 VanDerWaalsContact C-N 3.35Å; P151-L153 PolarHBondContact O-N 3.28Å; P151-R154 WeakPolarHBondContact O-CB 3.38Å; P151-R154 PolarHBondContact O-N 3.17Å; P151-E155 PolarHBondContact O-N 3.31Å |
| 152 | W | 74.6 | Confident | 70.6 | Confident | 113 Ų | 113 | 95 Ų | 95 | 43% | 0.428 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.3 | 171.1 | 78.7 | 0 | 0 | 0 | 112.4 | S150 R154 E155 V156 | S150-W152 PolarHBondContact O-N 3.4Å; W152-R154 VanDerWaalsContact C-N 3.31Å; W152-R154 PolarHBondContact O-N 3.39Å; W152-E155 PolarHBondContact O-N 3.29Å; W152-V156 HydrophobicContact CD2-CG2 4.25Å; W152-V156 HydrophobicContact CH2-CG2 4.38Å; W152-V156 HydrophobicContact CZ2-CG2 3.8Å; W152-V156 WeakPolarHBondContact O-CG2 3.38Å; W152-V156 PolarHBondContact O-N 2.95Å |
| 153 | L | 68 | Low | 70 | Confident | 1 Ų | 1 | 98.6 Ų | 98.6 | 1% | 0.005 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 177.3 | -112.9 | 149.2 | 0 | 0 | 0 | 110.7 | Y64 V65 E148 S150 P151 V156 F157 | Y64-L153 HydrophobicContact CD1-CD1 4.01Å; Y64-L153 HydrophobicContact CD1-CD2 3.99Å; Y64-L153 HydrophobicContact CE1-CD2 4.35Å; V65-L153 HydrophobicContact CB-CD2 4.48Å; V65-L153 HydrophobicContact CG2-CD1 4.06Å; V65-L153 HydrophobicContact CG2-CD2 3.81Å; V65-L153 HydrophobicContact CG2-CG 4.13Å; E148-L153 WeakPolarHBondContact O-CD1 3.18Å; S150-L153 VanDerWaalsContact O-CB 3.29Å; S150-L153 WeakPolarHBondContact O-CB 3.3Å; S150-L153 PolarHBondContact O-N 2.95Å; P151-L153 VanDerWaalsContact C-N 3.35Å; P151-L153 PolarHBondContact O-N 3.28Å; L153-V156 PolarHBondContact O-N 2.91Å; L153-F157 HydrophobicContact CD2-CD2 4.15Å; L153-F157 HydrophobicContact CD2-CE2 3.85Å; L153-F157 WeakPolarHBondContact O-CB 3.22Å; L153-F157 VanDerWaalsContact O-CD2 3.3Å; L153-F157 WeakPolarHBondContact O-CD2 3.25Å; L153-F157 PolarHBondContact O-N 2.9Å |
| 154 | R | 70.5 | Confident | 69.4 | Low | 154 Ų | 154 | 100.9 Ų | 100.9 | 58% | 0.581 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 175.6 | -65.5 | -177.3 | 176.3 | -152.6 | 1 | 112.4 | D149 S150 P151 W152 F157 V158 | D149-R154 WeakPolarHBondContact OD1-CG 3.33Å; D149-R154 IonicContact OD1-NE 3.18Å; D149-R154 PolarHBondContact OD1-NE 3.42Å; D149-R154 IonicContact OD2-CZ 3.36Å; D149-R154 IonicContact OD2-NE 3.21Å; D149-R154 PolarHBondContact OD2-NE 3.38Å; D149-R154 IonicContact OD2-NH2 2.7Å; D149-R154 PolarHBondContact OD2-NH2 3.02Å; S150-R154 PolarHBondContact O-N 3.42Å; P151-R154 WeakPolarHBondContact O-CB 3.38Å; P151-R154 PolarHBondContact O-N 3.17Å; W152-R154 VanDerWaalsContact C-N 3.31Å; W152-R154 PolarHBondContact O-N 3.39Å; R154-F157 WeakPolarHBondContact O-CB 3.42Å; R154-F157 PolarHBondContact O-N 3.42Å; R154-V158 VanDerWaalsContact O-CG2 3.31Å; R154-V158 WeakPolarHBondContact O-CG2 3.29Å; R154-V158 PolarHBondContact O-N 3.42Å |
| 155 | E | 74.9 | Confident | 69.1 | Low | 136 Ų | 136 | 102.1 Ų | 102.1 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 175.3 | -72.8 | 177 | -175.9 | 0 | 0 | 112.3 | P151 W152 F157 V158 R159 | P151-E155 PolarHBondContact O-N 3.31Å; W152-E155 PolarHBondContact O-N 3.29Å; E155-F157 VanDerWaalsContact C-N 3.32Å; E155-F157 PolarHBondContact O-N 2.93Å; E155-V158 PolarHBondContact O-N 3.35Å; E155-R159 WeakPolarHBondContact O-CB 3.43Å; E155-R159 PolarHBondContact O-N 3.39Å |
| 156 | V | 71.8 | Confident | 68.9 | Low | 32 Ų | 32 | 97.6 Ų | 97.6 | 19% | 0.194 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | L70 I73 W152 L153 V158 R159 S160 | L70-V156 HydrophobicContact CD1-CG1 4.19Å; I73-V156 HydrophobicContact CD1-CG1 3.77Å; W152-V156 HydrophobicContact CD2-CG2 4.25Å; W152-V156 HydrophobicContact CH2-CG2 4.38Å; W152-V156 HydrophobicContact CZ2-CG2 3.8Å; W152-V156 WeakPolarHBondContact O-CG2 3.38Å; W152-V156 PolarHBondContact O-N 2.95Å; L153-V156 PolarHBondContact O-N 2.91Å; V156-V158 PolarHBondContact O-N 3.44Å; V156-R159 PolarHBondContact O-N 3.14Å; V156-S160 WeakPolarHBondContact O-CB 3.3Å; V156-S160 PolarHBondContact O-N 3.35Å; V156-S160 PolarHBondContact O-OG 2.74Å |
| 157 | F | 70.1 | Confident | 68.8 | Low | 53 Ų | 53 | 103.3 Ų | 103.3 | 23% | 0.232 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 174.4 | -100.6 | -67.9 | 0 | 0 | 0 | 112.4 | V68 L70 L153 R154 E155 R159 S160 R161 | V68-F157 HydrophobicContact CB-CE1 4.34Å; V68-F157 HydrophobicContact CB-CE2 3.88Å; V68-F157 HydrophobicContact CB-CZ 3.38Å; V68-F157 HydrophobicContact CG1-CE1 3.63Å; V68-F157 HydrophobicContact CG1-CE2 3.7Å; V68-F157 HydrophobicContact CG1-CZ 3.06Å; L70-F157 HydrophobicContact CD1-CD1 4.21Å; L70-F157 HydrophobicContact CD1-CD2 3.76Å; L70-F157 HydrophobicContact CD1-CE1 3.81Å; L70-F157 HydrophobicContact CD1-CE2 3.32Å; L70-F157 HydrophobicContact CD1-CG 4.14Å; L70-F157 HydrophobicContact CD1-CZ 3.28Å; L70-F157 HydrophobicContact CD2-CE1 4.25Å; L70-F157 HydrophobicContact CD2-CZ 4.43Å; L70-F157 HydrophobicContact CG-CE1 3.84Å; L70-F157 HydrophobicContact CG-CE2 4.12Å; L70-F157 HydrophobicContact CG-CZ 3.54Å; L153-F157 HydrophobicContact CD2-CD2 4.15Å; L153-F157 HydrophobicContact CD2-CE2 3.85Å; L153-F157 WeakPolarHBondContact O-CB 3.22Å; L153-F157 VanDerWaalsContact O-CD2 3.3Å; L153-F157 WeakPolarHBondContact O-CD2 3.25Å; L153-F157 PolarHBondContact O-N 2.9Å; R154-F157 WeakPolarHBondContact O-CB 3.42Å; R154-F157 PolarHBondContact O-N 3.42Å; E155-F157 VanDerWaalsContact C-N 3.32Å; E155-F157 PolarHBondContact O-N 2.93Å; F157-R159 VanDerWaalsContact C-N 3.29Å; F157-R159 PolarHBondContact O-N 3.17Å; F157-S160 PolarHBondContact O-N 2.93Å; F157-S160 PolarHBondContact O-OG 3.31Å; F157-R161 PolarHBondContact O-N 3.14Å |
| 158 | V | 73 | Confident | 68.6 | Low | 97 Ų | 97 | 107.5 Ų | 107.5 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | R154 E155 V156 R161 | R154-V158 VanDerWaalsContact O-CG2 3.31Å; R154-V158 WeakPolarHBondContact O-CG2 3.29Å; R154-V158 PolarHBondContact O-N 3.42Å; E155-V158 PolarHBondContact O-N 3.35Å; V156-V158 PolarHBondContact O-N 3.44Å; V158-R161 PolarHBondContact O-N 3.04Å |
| 159 | R | 72.4 | Confident | 68.5 | Low | 205 Ų | 205 | 107.4 Ų | 107.4 | 77% | 0.774 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.3 | -32.2 | -179.4 | -146.6 | 177.3 | -156.8 | 174.3 | 5.8 | 113.6 | E155 V156 F157 R161 | E155-R159 WeakPolarHBondContact O-CB 3.43Å; E155-R159 PolarHBondContact O-N 3.39Å; V156-R159 PolarHBondContact O-N 3.14Å; F157-R159 VanDerWaalsContact C-N 3.29Å; F157-R159 PolarHBondContact O-N 3.17Å; R159-R161 VanDerWaalsContact C-N 3.27Å; R159-R161 PolarHBondContact O-N 3.23Å |
| 160 | S | 63.5 | Low | 68.7 | Low | 60 Ų | 60 | 109.8 Ų | 109.8 | 42% | 0.42 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.7 | -11.9 | 177 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | V156 F157 | V156-S160 WeakPolarHBondContact O-CB 3.3Å; V156-S160 PolarHBondContact O-N 3.35Å; V156-S160 PolarHBondContact O-OG 2.74Å; F157-S160 PolarHBondContact O-N 2.93Å; F157-S160 PolarHBondContact O-OG 3.31Å |
| 161 | R | 61.6 | Low | 68.6 | Low | 236 Ų | 236 | 117.6 Ų | 117.6 | 89% | 0.891 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -8.4 | -179.3 | -124.1 | 179.8 | -174.5 | 168.4 | 2 | 113.6 | F157 V158 R159 | F157-R161 PolarHBondContact O-N 3.14Å; V158-R161 PolarHBondContact O-N 3.04Å; R159-R161 VanDerWaalsContact C-N 3.27Å; R159-R161 PolarHBondContact O-N 3.23Å |
| 162 | Q | 52.3 | Low | 68.4 | Low | 221 Ų | 221 | 118.9 Ų | 118.9 | 100% | 1.033 | 53% | 0.526 | S | S | * | . | trans | -89.1 | 0 | 170.4 | -71.1 | -172.5 | -28.7 | 0 | 0 | 109.9 |
Retrieved 162 of 162 residues in 205.1 ms
(Link to these results)