| 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 | 47.6 | Very low | 58.7 | Low | 231 Ų | 231 | 146.6 Ų | 146.6 | 100% | 1.138 | 70% | 0.698 | S | S | * | * | 0 | -13 | 0 | -103.8 | 176 | 73.1 | 0 | 0 | 113.8 | |||||
| 2 | E | 46.9 | Very low | 60 | Low | 178 Ų | 178 | 139.7 Ų | 139.7 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | -82.4 | -29.5 | -178.1 | -69.5 | -179.1 | 145.3 | 0 | 0 | 114.9 | V4 G5 S6 | E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 2.97Å; E2-G5 PolarHBondContact O-N 2.88Å; E2-S6 PolarHBondContact O-N 3.3Å | ||
| 3 | E | 46.9 | Very low | 61 | Low | 162 Ų | 162 | 135.8 Ų | 135.8 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.3 | -34.9 | -177.7 | -71.6 | -177.8 | 150.9 | 0 | 0 | 113.7 | G5 S6 H7 | E3-G5 VanDerWaalsContact C-N 3.29Å; E3-G5 PolarHBondContact O-N 3.31Å; E3-S6 PolarHBondContact O-N 3.06Å; E3-H7 PolarHBondContact O-CD2 2.86Å; E3-H7 PolarHBondContact O-N 3.19Å |
| 4 | V | 51.4 | Low | 62.1 | Low | 115 Ų | 115 | 133 Ų | 133 | 70% | 0.697 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.1 | -33.1 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | E2 R8 | E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 2.97Å; V4-R8 PolarHBondContact O-N 2.75Å |
| 5 | G | 51.1 | Low | 63 | Low | 38 Ų | 38 | 128.1 Ų | 128.1 | 39% | 0.392 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.3 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2 E3 R9 | E2-G5 PolarHBondContact O-N 2.88Å; E3-G5 VanDerWaalsContact C-N 3.29Å; E3-G5 PolarHBondContact O-N 3.31Å; G5-R9 WeakPolarHBondContact O-CG 3.33Å; G5-R9 PolarHBondContact O-N 3.26Å; G5-R9 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 61.6 | Low | 63.9 | Low | 78 Ų | 78 | 127.2 Ų | 127.2 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66 | -47.5 | 178 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | E2 E3 R8 R9 L10 | E2-S6 PolarHBondContact O-N 3.3Å; E3-S6 PolarHBondContact O-N 3.06Å; S6-R8 VanDerWaalsContact C-N 3.35Å; S6-R8 PolarHBondContact O-N 3.17Å; S6-R9 PolarHBondContact O-N 3.03Å; S6-L10 WeakPolarHBondContact O-CB 3.49Å; S6-L10 PolarHBondContact O-N 3.46Å |
| 7 | H | 63 | Low | 64.8 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62 | -39.5 | 177.6 | -80.5 | -58 | 0 | 0 | 0 | 113.1 | E3 L10 R11 | E3-H7 PolarHBondContact O-CD2 2.86Å; E3-H7 PolarHBondContact O-N 3.19Å; H7-L10 PolarHBondContact O-N 2.92Å; H7-R11 WeakPolarHBondContact O-CB 3.32Å; H7-R11 PolarHBondContact O-N 3.41Å |
| 8 | R | 64.6 | Low | 65.6 | Low | 198 Ų | 198 | 116.2 Ų | 116.2 | 75% | 0.747 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66 | -42.6 | 177.8 | -166.3 | 176.2 | -176.7 | -176.2 | 1.3 | 111.7 | V4 S6 R11 S12 | V4-R8 PolarHBondContact O-N 2.75Å; S6-R8 VanDerWaalsContact C-N 3.35Å; S6-R8 PolarHBondContact O-N 3.17Å; R8-R11 PolarHBondContact O-N 3.47Å; R8-S12 PolarHBondContact O-N 3.02Å; R8-S12 PolarHBondContact O-OG 2.89Å |
| 9 | R | 67.9 | Low | 66.4 | Low | 194 Ų | 194 | 115.2 Ų | 115.2 | 73% | 0.732 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -44.7 | 175.9 | -73.7 | 178.5 | -178.1 | -178.1 | 2 | 111.9 | G5 S6 R11 S12 L13 | G5-R9 WeakPolarHBondContact O-CG 3.33Å; G5-R9 PolarHBondContact O-N 3.26Å; G5-R9 VanDerWaalsContact O-N 3.14Å; S6-R9 PolarHBondContact O-N 3.03Å; R9-R11 PolarHBondContact O-N 2.95Å; R9-S12 PolarHBondContact O-N 3.41Å; R9-L13 WeakPolarHBondContact O-CG 3.35Å; R9-L13 PolarHBondContact O-N 3.16Å |
| 10 | L | 71.9 | Confident | 67.1 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.6 | -45.3 | 177.5 | -177.3 | 64.1 | 0 | 0 | 0 | 111.4 | S6 H7 L13 L14 | S6-L10 WeakPolarHBondContact O-CB 3.49Å; S6-L10 PolarHBondContact O-N 3.46Å; H7-L10 PolarHBondContact O-N 2.92Å; L10-L13 PolarHBondContact O-N 3.38Å; L10-L14 HydrophobicContact CG-CD1 4.19Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.37Å |
| 11 | R | 72.8 | Confident | 67.8 | Low | 191 Ų | 191 | 106.2 Ų | 106.2 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.8 | -45.9 | 176.4 | -175 | -179.8 | -96 | 179.4 | -6.4 | 111.6 | H7 R8 R9 L13 L14 S15 | H7-R11 WeakPolarHBondContact O-CB 3.32Å; H7-R11 PolarHBondContact O-N 3.41Å; R8-R11 PolarHBondContact O-N 3.47Å; R9-R11 PolarHBondContact O-N 2.95Å; R11-L13 VanDerWaalsContact C-N 3.35Å; R11-L13 PolarHBondContact O-N 3.17Å; R11-L14 PolarHBondContact O-N 3.35Å; R11-S15 PolarHBondContact O-N 3.06Å; R11-S15 PolarHBondContact O-OG 2.89Å |
| 12 | S | 73.9 | Confident | 69.5 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 44% | 0.441 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 176.7 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | R8 R9 S15 L16 | R8-S12 PolarHBondContact O-N 3.02Å; R8-S12 PolarHBondContact O-OG 2.89Å; R9-S12 PolarHBondContact O-N 3.41Å; S12-S15 PolarHBondContact O-N 3.22Å; S12-L16 WeakPolarHBondContact O-CB 3.34Å; S12-L16 WeakPolarHBondContact O-CG 3.37Å; S12-L16 PolarHBondContact O-N 3.4Å |
| 13 | L | 73.4 | Confident | 71.1 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.6 | -75.6 | 169.4 | 0 | 0 | 0 | 112 | R9 L10 R11 L16 K17 | R9-L13 WeakPolarHBondContact O-CG 3.35Å; R9-L13 PolarHBondContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.38Å; R11-L13 VanDerWaalsContact C-N 3.35Å; R11-L13 PolarHBondContact O-N 3.17Å; L13-L16 PolarHBondContact O-N 3.33Å; L13-K17 WeakPolarHBondContact O-CB 3.27Å; L13-K17 VanDerWaalsContact O-CG 3.28Å; L13-K17 WeakPolarHBondContact O-CG 3.49Å; L13-K17 PolarHBondContact O-N 3.47Å |
| 14 | L | 75.8 | Confident | 72.8 | Confident | 97 Ų | 97 | 85.6 Ų | 85.6 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176 | -70.6 | 171.4 | 0 | 0 | 0 | 111.8 | L10 R11 K17 S18 | L10-L14 HydrophobicContact CG-CD1 4.19Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.37Å; R11-L14 PolarHBondContact O-N 3.35Å; L14-K17 PolarHBondContact O-N 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.35Å; L14-S18 PolarHBondContact O-N 3.46Å |
| 15 | S | 75.9 | Confident | 74.2 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 42% | 0.42 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.3 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | R11 S12 S18 I19 | R11-S15 PolarHBondContact O-N 3.06Å; R11-S15 PolarHBondContact O-OG 2.89Å; S12-S15 PolarHBondContact O-N 3.22Å; S15-S18 PolarHBondContact O-N 3.25Å; S15-I19 WeakPolarHBondContact O-CD1 3.46Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.44Å; S15-I19 PolarHBondContact O-N 3.43Å |
| 16 | L | 77.6 | Confident | 75.6 | Confident | 113 Ų | 113 | 81 Ų | 81 | 59% | 0.592 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 178.6 | -74.6 | 170.8 | 0 | 0 | 0 | 112.2 | S12 L13 S18 I19 A20 | S12-L16 WeakPolarHBondContact O-CB 3.34Å; S12-L16 WeakPolarHBondContact O-CG 3.37Å; S12-L16 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 3.33Å; L16-S18 VanDerWaalsContact C-N 3.35Å; L16-S18 PolarHBondContact O-N 2.89Å; L16-I19 PolarHBondContact O-N 3.35Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 3.45Å |
| 17 | K | 79.5 | Confident | 76.5 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 18% | 0.178 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 174.2 | -74.8 | 172.5 | 178.9 | -175.9 | 0 | 111.6 | L13 L14 A20 T21 L57 E60 | L13-K17 WeakPolarHBondContact O-CB 3.27Å; L13-K17 VanDerWaalsContact O-CG 3.28Å; L13-K17 WeakPolarHBondContact O-CG 3.49Å; L13-K17 PolarHBondContact O-N 3.47Å; L14-K17 PolarHBondContact O-N 3.29Å; K17-A20 PolarHBondContact O-N 3.26Å; K17-T21 WeakPolarHBondContact O-CB 3.46Å; K17-T21 PolarHBondContact O-N 2.97Å; K17-T21 PolarHBondContact O-OG1 3.38Å; K17-L57 HydrophobicContact CD-CD1 4.42Å; K17-E60 IonicContact NZ-OE2 3.52Å; K17-E60 PolarHBondContact NZ-OE2 2.9Å |
| 18 | S | 79.5 | Confident | 77.2 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 179 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | L14 S15 L16 T21 K22 | L14-S18 WeakPolarHBondContact O-CB 3.35Å; L14-S18 PolarHBondContact O-N 3.46Å; S15-S18 PolarHBondContact O-N 3.25Å; L16-S18 VanDerWaalsContact C-N 3.35Å; L16-S18 PolarHBondContact O-N 2.89Å; S18-T21 PolarHBondContact O-N 2.71Å; S18-K22 WeakPolarHBondContact O-CB 3.36Å; S18-K22 WeakPolarHBondContact O-CD 3.35Å; S18-K22 WeakPolarHBondContact O-CG 3.43Å; S18-K22 PolarHBondContact O-N 2.91Å; S18-K22 WeakPolarHBondContact OG-CE 3.38Å; S18-K22 PolarHBondContact OG-NZ 3.07Å |
| 19 | I | 80 | Confident | 77.7 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -50.8 | 177.8 | -68.1 | 163.9 | 0 | 0 | 0 | 110.8 | S15 L16 T21 K22 C23 | S15-I19 WeakPolarHBondContact O-CD1 3.46Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.44Å; S15-I19 PolarHBondContact O-N 3.43Å; L16-I19 PolarHBondContact O-N 3.35Å; I19-T21 VanDerWaalsContact C-N 3.31Å; I19-T21 PolarHBondContact O-N 3.41Å; I19-K22 PolarHBondContact O-N 3.43Å; I19-C23 WeakPolarHBondContact O-CB 3.26Å; I19-C23 PolarHBondContact O-N 3.42Å; I19-C23 PolarHBondContact O-SG 2.95Å |
| 20 | A | 81.2 | Confident | 77.9 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L16 K17 K22 C23 I24 L61 | L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 3.45Å; K17-A20 PolarHBondContact O-N 3.26Å; A20-K22 PolarHBondContact O-N 3.25Å; A20-C23 PolarHBondContact O-N 3.25Å; A20-I24 WeakPolarHBondContact O-CD1 3.22Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.42Å; A20-I24 PolarHBondContact O-N 3.34Å; A20-L61 HydrophobicContact CB-CD1 4.31Å |
| 21 | T | 81.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.5 | -51.7 | 175.4 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | K17 S18 I19 C23 I24 V25 T64 A68 | K17-T21 WeakPolarHBondContact O-CB 3.46Å; K17-T21 PolarHBondContact O-N 2.97Å; K17-T21 PolarHBondContact O-OG1 3.38Å; S18-T21 PolarHBondContact O-N 2.71Å; I19-T21 VanDerWaalsContact C-N 3.31Å; I19-T21 PolarHBondContact O-N 3.41Å; T21-C23 PolarHBondContact O-N 3.43Å; T21-I24 PolarHBondContact O-N 3.02Å; T21-V25 HydrophobicContact CG2-CG2 4.34Å; T21-V25 WeakPolarHBondContact O-CG2 3.48Å; T21-V25 PolarHBondContact O-N 3Å; T21-T64 HydrophobicContact CG2-CG2 4.1Å; T21-T64 WeakPolarHBondContact OG1-CG2 3.43Å; T21-A68 HydrophobicContact CG2-CB 3.32Å |
| 22 | K | 82.3 | Confident | 77.2 | Confident | 30 Ų | 30 | 55 Ų | 55 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | -179.4 | -71.8 | 166.8 | -177.8 | 172.1 | 0 | 111.3 | S18 I19 A20 I24 V25 I26 W103 H104 F107 | S18-K22 WeakPolarHBondContact O-CB 3.36Å; S18-K22 WeakPolarHBondContact O-CD 3.35Å; S18-K22 WeakPolarHBondContact O-CG 3.43Å; S18-K22 PolarHBondContact O-N 2.91Å; S18-K22 WeakPolarHBondContact OG-CE 3.38Å; S18-K22 PolarHBondContact OG-NZ 3.07Å; I19-K22 PolarHBondContact O-N 3.43Å; A20-K22 PolarHBondContact O-N 3.25Å; K22-I24 PolarHBondContact O-N 3.01Å; K22-V25 PolarHBondContact O-N 3.18Å; K22-I26 WeakPolarHBondContact O-CB 3.39Å; K22-I26 WeakPolarHBondContact O-CD1 3.3Å; K22-I26 WeakPolarHBondContact O-CG1 3.12Å; K22-I26 PolarHBondContact O-N 3.42Å; K22-W103 HydrophobicContact CD-CB 4.16Å; K22-W103 HydrophobicContact CD-CD2 3.95Å; K22-W103 HydrophobicContact CD-CG 3.77Å; K22-W103 VanDerWaalsContact CE-CB 3.42Å; K22-W103 VanDerWaalsContact CE-CG 3.42Å; K22-W103 HydrophobicContact CG-CD2 3.9Å; K22-W103 HydrophobicContact CG-CE3 4.28Å; K22-W103 HydrophobicContact CG-CG 4.25Å; K22-W103 HydrophobicContact CG-CZ2 4.2Å; K22-W103 VanDerWaalsContact NZ-CB 3.3Å; K22-H104 PolarHBondContact NZ-O 3.2Å; K22-F107 PolarHBondContact NZ-O 3.46Å |
| 23 | C | 81.9 | Confident | 76.6 | Confident | 72 Ų | 72 | 54 Ų | 54 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.2 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | I19 A20 T21 T27 | I19-C23 WeakPolarHBondContact O-CB 3.26Å; I19-C23 PolarHBondContact O-N 3.42Å; I19-C23 PolarHBondContact O-SG 2.95Å; A20-C23 PolarHBondContact O-N 3.25Å; T21-C23 PolarHBondContact O-N 3.43Å; C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 3.13Å; C23-T27 VanDerWaalsContact O-N 3.16Å; C23-T27 PolarHBondContact O-OG1 3.37Å |
| 24 | I | 81.9 | Confident | 75.7 | Confident | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.185 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -51.4 | 176.7 | -71.2 | 162.2 | 0 | 0 | 0 | 110.1 | A20 T21 K22 I26 T27 V28 L44 I48 T65 M69 | A20-I24 WeakPolarHBondContact O-CD1 3.22Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.42Å; A20-I24 PolarHBondContact O-N 3.34Å; T21-I24 PolarHBondContact O-N 3.02Å; K22-I24 PolarHBondContact O-N 3.01Å; I24-I26 PolarHBondContact O-N 3.13Å; I24-T27 PolarHBondContact O-N 2.94Å; I24-T27 VanDerWaalsContact O-N 3.09Å; I24-V28 HydrophobicContact CG2-CG2 4.05Å; I24-V28 WeakPolarHBondContact O-CB 3.19Å; I24-V28 VanDerWaalsContact O-CG2 3.3Å; I24-V28 WeakPolarHBondContact O-CG2 3.33Å; I24-V28 PolarHBondContact O-N 3.46Å; I24-L44 HydrophobicContact CD1-CD1 4.38Å; I24-L44 HydrophobicContact CG1-CD1 4.42Å; I24-L44 HydrophobicContact CG2-CD1 3.49Å; I24-L44 VanDerWaalsContact CG2-CD1 3.49Å; I24-L44 HydrophobicContact CG2-CD2 3.55Å; I24-L44 HydrophobicContact CG2-CG 4.15Å; I24-I48 HydrophobicContact CD1-CD1 4.46Å; I24-T65 HydrophobicContact CB-CG2 4.32Å; I24-T65 HydrophobicContact CG2-CG2 3.65Å; I24-M69 HydrophobicContact CG2-CE 4.35Å |
| 25 | V | 81.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.7 | -47.5 | -176.5 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | T21 K22 T27 V28 L29 T65 A68 M69 V72 W103 | T21-V25 HydrophobicContact CG2-CG2 4.34Å; T21-V25 WeakPolarHBondContact O-CG2 3.48Å; T21-V25 PolarHBondContact O-N 3Å; K22-V25 PolarHBondContact O-N 3.18Å; V25-T27 PolarHBondContact O-N 3.38Å; V25-V28 PolarHBondContact O-N 3.4Å; V25-L29 HydrophobicContact CG1-CD1 3.53Å; V25-L29 HydrophobicContact CG1-CG 4.05Å; V25-L29 WeakPolarHBondContact O-CB 3.44Å; V25-L29 PolarHBondContact O-N 3.04Å; V25-T65 HydrophobicContact CG2-CG2 4.44Å; V25-A68 HydrophobicContact CG2-CB 3.41Å; V25-A68 VanDerWaalsContact CG2-CB 3.41Å; V25-M69 HydrophobicContact CG1-CG 4.38Å; V25-M69 HydrophobicContact CG2-CG 3.9Å; V25-V72 HydrophobicContact CG1-CB 4.27Å; V25-V72 HydrophobicContact CG1-CG2 3.69Å; V25-W103 HydrophobicContact CG1-CH2 4.45Å |
| 26 | I | 80.5 | Confident | 73.3 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -30.8 | 179 | -68.2 | 166.2 | 0 | 0 | 0 | 111.7 | K22 I24 P30 V98 | K22-I26 WeakPolarHBondContact O-CB 3.39Å; K22-I26 WeakPolarHBondContact O-CD1 3.3Å; K22-I26 WeakPolarHBondContact O-CG1 3.12Å; K22-I26 PolarHBondContact O-N 3.42Å; I24-I26 PolarHBondContact O-N 3.13Å; I26-P30 WeakPolarHBondContact O-CD 3.3Å; I26-P30 VanDerWaalsContact O-CG 3.27Å; I26-P30 WeakPolarHBondContact O-CG 3.35Å; I26-V98 HydrophobicContact CG1-CG1 4.31Å |
| 27 | T | 79.6 | Confident | 72.1 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -85.5 | -39.7 | -179.4 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | C23 I24 V25 R31 | C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 3.13Å; C23-T27 VanDerWaalsContact O-N 3.16Å; C23-T27 PolarHBondContact O-OG1 3.37Å; I24-T27 PolarHBondContact O-N 2.94Å; I24-T27 VanDerWaalsContact O-N 3.09Å; V25-T27 PolarHBondContact O-N 3.38Å; T27-R31 WeakPolarHBondContact O-CD 3.24Å; T27-R31 WeakPolarHBondContact O-CG 3.5Å |
| 28 | V | 77.5 | Confident | 71 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -83.9 | -45.7 | -170.9 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | I24 V25 R31 G32 P40 L41 L44 M69 | I24-V28 HydrophobicContact CG2-CG2 4.05Å; I24-V28 WeakPolarHBondContact O-CB 3.19Å; I24-V28 VanDerWaalsContact O-CG2 3.3Å; I24-V28 WeakPolarHBondContact O-CG2 3.33Å; I24-V28 PolarHBondContact O-N 3.46Å; V25-V28 PolarHBondContact O-N 3.4Å; V28-R31 PolarHBondContact O-N 3.32Å; V28-G32 PolarHBondContact O-N 3.31Å; V28-G32 VanDerWaalsContact O-N 3.07Å; V28-P40 HydrophobicContact CG1-CB 3.88Å; V28-L41 HydrophobicContact CG1-CD2 4.47Å; V28-L44 HydrophobicContact CG2-CD2 4.43Å; V28-M69 HydrophobicContact CB-CE 3.83Å; V28-M69 HydrophobicContact CG1-CE 3.66Å; V28-M69 HydrophobicContact CG2-CE 4.48Å |
| 29 | L | 74.9 | Confident | 69.9 | Low | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.6 | -47.8 | -172.5 | -72.1 | -173.8 | 0 | 0 | 0 | 113.6 | V25 R31 G32 F33 M69 V72 | V25-L29 HydrophobicContact CG1-CD1 3.53Å; V25-L29 HydrophobicContact CG1-CG 4.05Å; V25-L29 WeakPolarHBondContact O-CB 3.44Å; V25-L29 PolarHBondContact O-N 3.04Å; L29-R31 PolarHBondContact O-N 3.37Å; L29-R31 VanDerWaalsContact O-N 3.15Å; L29-G32 PolarHBondContact O-N 2.95Å; L29-G32 VanDerWaalsContact O-N 3.13Å; L29-F33 HydrophobicContact CB-CD2 4.23Å; L29-F33 HydrophobicContact CD2-CD2 4.2Å; L29-F33 HydrophobicContact CD2-CE2 3.93Å; L29-F33 PolarHBondContact O-N 3.5Å; L29-M69 HydrophobicContact CD1-CG 4.42Å; L29-M69 HydrophobicContact CD2-CB 4.3Å; L29-M69 HydrophobicContact CD2-CE 4.48Å; L29-M69 HydrophobicContact CD2-CG 4.04Å; L29-M69 HydrophobicContact CD2-SD 4.29Å; L29-M69 HydrophobicContact CG-CG 4.25Å; L29-V72 HydrophobicContact CD1-CB 3.57Å; L29-V72 HydrophobicContact CD1-CG1 3.46Å; L29-V72 VanDerWaalsContact CD1-CG1 3.46Å; L29-V72 HydrophobicContact CD1-CG2 4.31Å |
| 30 | P | 73.8 | Confident | 69.4 | Low | 52 Ų | 52 | 57.3 Ų | 57.3 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -29 | 178.8 | -25.5 | 36.8 | 0 | 0 | 0 | 113.2 | I26 V98 | I26-P30 WeakPolarHBondContact O-CD 3.3Å; I26-P30 VanDerWaalsContact O-CG 3.27Å; I26-P30 WeakPolarHBondContact O-CG 3.35Å; P30-V98 HydrophobicContact CG-CB 4.28Å |
| 31 | R | 69.1 | Low | 69.1 | Low | 187 Ų | 187 | 57.2 Ų | 57.2 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -76.9 | -36.4 | 177.7 | -66.1 | 179.3 | 178.8 | 172.6 | 1.2 | 112.7 | T27 V28 L29 | T27-R31 WeakPolarHBondContact O-CD 3.24Å; T27-R31 WeakPolarHBondContact O-CG 3.5Å; V28-R31 PolarHBondContact O-N 3.32Å; L29-R31 PolarHBondContact O-N 3.37Å; L29-R31 VanDerWaalsContact O-N 3.15Å |
| 32 | G | 60.6 | Low | 68.8 | Low | 6 Ų | 6 | 62.4 Ų | 62.4 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -80.9 | -41.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V28 L29 G34 K35 A36 N37 | V28-G32 PolarHBondContact O-N 3.31Å; V28-G32 VanDerWaalsContact O-N 3.07Å; L29-G32 PolarHBondContact O-N 2.95Å; L29-G32 VanDerWaalsContact O-N 3.13Å; G32-G34 PolarHBondContact O-N 3.04Å; G32-K35 PolarHBondContact O-N 2.96Å; G32-A36 PolarHBondContact O-N 2.93Å; G32-N37 VanDerWaalsContact CA-O 3.25Å; G32-N37 WeakPolarHBondContact CA-O 3.44Å; G32-N37 PolarHBondContact O-N 3.43Å |
| 33 | F | 60.3 | Low | 68.7 | Low | 42 Ų | 42 | 70 Ų | 70 | 18% | 0.184 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | -172.9 | -100.1 | -81.2 | 0 | 0 | 0 | 113.9 | L29 K35 A36 I73 W76 L95 | L29-F33 HydrophobicContact CB-CD2 4.23Å; L29-F33 HydrophobicContact CD2-CD2 4.2Å; L29-F33 HydrophobicContact CD2-CE2 3.93Å; L29-F33 PolarHBondContact O-N 3.5Å; F33-K35 PolarHBondContact O-N 3.49Å; F33-A36 PolarHBondContact O-N 3.38Å; F33-I73 HydrophobicContact CE2-CD1 4.09Å; F33-I73 HydrophobicContact CE2-CG1 3.73Å; F33-I73 HydrophobicContact CZ-CB 4.47Å; F33-I73 HydrophobicContact CZ-CD1 3.96Å; F33-I73 HydrophobicContact CZ-CG1 3.61Å; F33-I73 HydrophobicContact CZ-CG2 4.4Å; F33-W76 HydrophobicContact CE1-CE3 4.4Å; F33-L95 HydrophobicContact CB-CD1 3.49Å; F33-L95 VanDerWaalsContact CB-CD1 3.49Å; F33-L95 HydrophobicContact CB-CD2 3.82Å; F33-L95 HydrophobicContact CB-CG 4.3Å; F33-L95 HydrophobicContact CD1-CD1 4.44Å; F33-L95 HydrophobicContact CD1-CD2 4.14Å; F33-L95 HydrophobicContact CD2-CD2 3.95Å; F33-L95 HydrophobicContact CG-CD1 4.14Å; F33-L95 HydrophobicContact CG-CD2 3.69Å |
| 34 | G | 54.7 | Low | 68.8 | Low | 67 Ų | 67 | 67.1 Ų | 67.1 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -14.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G32 | G32-G34 PolarHBondContact O-N 3.04Š|
| 35 | K | 51 | Low | 68.9 | Low | 174 Ų | 174 | 70.2 Ų | 70.2 | 76% | 0.757 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | 7.5 | -179.5 | -64 | -173.8 | 179.3 | -177.5 | 0 | 113.7 | G32 F33 N37 | G32-K35 PolarHBondContact O-N 2.96Å; F33-K35 PolarHBondContact O-N 3.49Å; K35-N37 HydrophobicContact CB-CB 3.87Å; K35-N37 PolarHBondContact O-N 3.43Å |
| 36 | A | 50.1 | Low | 69.2 | Low | 77 Ų | 77 | 74.7 Ų | 74.7 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 29.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G32 F33 F38 | G32-A36 PolarHBondContact O-N 2.93Å; F33-A36 PolarHBondContact O-N 3.38Å; A36-F38 PolarHBondContact O-N 3.4Å |
| 37 | N | 53.2 | Low | 69.5 | Low | 86 Ų | 86 | 76.8 Ų | 76.8 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | trans | -101.4 | 98.2 | -172.8 | -171.2 | -4.9 | 0 | 0 | 0 | 107.6 | G32 K35 G39 P40 | G32-N37 VanDerWaalsContact CA-O 3.25Å; G32-N37 WeakPolarHBondContact CA-O 3.44Å; G32-N37 PolarHBondContact O-N 3.43Å; K35-N37 HydrophobicContact CB-CB 3.87Å; K35-N37 PolarHBondContact O-N 3.43Å; N37-G39 WeakPolarHBondContact OD1-CA 3.39Å; N37-G39 PolarHBondContact OD1-N 3.45Å; N37-P40 WeakPolarHBondContact O-CD 3.45Å | ||
| 38 | F | 55.4 | Low | 69.7 | Low | 106 Ų | 106 | 73.8 Ų | 73.8 | 47% | 0.465 | 38% | 0.384 | S | S | . | . | trans | -84.8 | 5.4 | 173.9 | -60.6 | -75.8 | 0 | 0 | 0 | 112.7 | A36 P40 L41 | A36-F38 PolarHBondContact O-N 3.4Å; F38-P40 VanDerWaalsContact O-N 3.1Å; F38-L41 HydrophobicContact CB-CD1 3.92Å; F38-L41 HydrophobicContact CB-CG 4.24Å; F38-L41 HydrophobicContact CD1-CD1 3.93Å; F38-L41 HydrophobicContact CG-CD1 4.31Å; F38-L41 VanDerWaalsContact O-CB 3.23Å; F38-L41 WeakPolarHBondContact O-CB 3.3Å; F38-L41 WeakPolarHBondContact O-CG 3.34Å; F38-L41 PolarHBondContact O-N 3.3Å | ||
| 39 | G | 57.6 | Low | 70.2 | Confident | 30 Ų | 30 | 79 Ų | 79 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -51.5 | -25.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N37 L41 | N37-G39 WeakPolarHBondContact OD1-CA 3.39Å; N37-G39 PolarHBondContact OD1-N 3.45Å; G39-L41 PolarHBondContact O-N 2.85Å |
| 40 | P | 69.3 | Low | 70.9 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 28% | 0.279 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62 | -22 | 167.4 | -26.3 | 37.3 | 0 | 0 | 0 | 115 | V28 N37 F38 L44 | V28-P40 HydrophobicContact CG1-CB 3.88Å; N37-P40 WeakPolarHBondContact O-CD 3.45Å; F38-P40 VanDerWaalsContact O-N 3.1Å; P40-L44 WeakPolarHBondContact O-CB 3.03Å; P40-L44 PolarHBondContact O-N 3.09Å |
| 41 | L | 73.5 | Confident | 71.5 | Confident | 38 Ų | 38 | 83.7 Ų | 83.7 | 20% | 0.199 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -72.3 | -41.8 | -179.1 | -63.5 | -176.8 | 0 | 0 | 0 | 112.6 | V28 F38 G39 R43 L44 R45 M69 | V28-L41 HydrophobicContact CG1-CD2 4.47Å; F38-L41 HydrophobicContact CB-CD1 3.92Å; F38-L41 HydrophobicContact CB-CG 4.24Å; F38-L41 HydrophobicContact CD1-CD1 3.93Å; F38-L41 HydrophobicContact CG-CD1 4.31Å; F38-L41 VanDerWaalsContact O-CB 3.23Å; F38-L41 WeakPolarHBondContact O-CB 3.3Å; F38-L41 WeakPolarHBondContact O-CG 3.34Å; F38-L41 PolarHBondContact O-N 3.3Å; G39-L41 PolarHBondContact O-N 2.85Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-L44 PolarHBondContact O-N 3.19Å; L41-R45 PolarHBondContact O-N 3.15Å; L41-M69 HydrophobicContact CD2-CE 3.74Å; L41-M69 HydrophobicContact CD2-SD 3.39Å; L41-M69 WeakPolarHBondContact CD2-SD 3.46Å |
| 42 | D | 75.6 | Confident | 72.5 | Confident | 111 Ų | 111 | 81.2 Ų | 81.2 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 176.6 | -68.1 | -34.7 | 0 | 0 | 0 | 110.3 | L44 R45 D46 | D42-L44 VanDerWaalsContact C-N 3.35Å; D42-L44 PolarHBondContact O-N 3.01Å; D42-R45 WeakPolarHBondContact O-CB 3.38Å; D42-R45 PolarHBondContact O-N 3.15Å; D42-D46 PolarHBondContact O-N 3.08Å; D42-D46 VanDerWaalsContact O-N 3.07Å |
| 43 | R | 81 | Confident | 73.7 | Confident | 188 Ų | 188 | 83.9 Ų | 83.9 | 71% | 0.709 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 174 | -66.3 | -175.5 | -175.8 | -180 | 0.4 | 111.9 | L41 R45 D46 D47 | L41-R43 VanDerWaalsContact C-N 3.34Å; R43-R45 VanDerWaalsContact C-N 3.26Å; R43-R45 PolarHBondContact O-N 2.63Å; R43-D46 PolarHBondContact O-N 2.91Å; R43-D47 WeakPolarHBondContact O-CB 3.43Å; R43-D47 PolarHBondContact O-N 3.24Å |
| 44 | L | 83.3 | Confident | 75 | Confident | 12 Ų | 12 | 84.3 Ų | 84.3 | 6% | 0.063 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 177.3 | 175.6 | 63.3 | 0 | 0 | 0 | 112 | I24 V28 P40 L41 D42 D47 I48 W62 T65 M69 | I24-L44 HydrophobicContact CD1-CD1 4.38Å; I24-L44 HydrophobicContact CG1-CD1 4.42Å; I24-L44 HydrophobicContact CG2-CD1 3.49Å; I24-L44 VanDerWaalsContact CG2-CD1 3.49Å; I24-L44 HydrophobicContact CG2-CD2 3.55Å; I24-L44 HydrophobicContact CG2-CG 4.15Å; V28-L44 HydrophobicContact CG2-CD2 4.43Å; P40-L44 WeakPolarHBondContact O-CB 3.03Å; P40-L44 PolarHBondContact O-N 3.09Å; L41-L44 PolarHBondContact O-N 3.19Å; D42-L44 VanDerWaalsContact C-N 3.35Å; D42-L44 PolarHBondContact O-N 3.01Å; L44-D47 PolarHBondContact O-N 3.15Å; L44-I48 HydrophobicContact CD1-CD1 3.89Å; L44-I48 HydrophobicContact CD1-CG1 4.24Å; L44-I48 HydrophobicContact CG-CD1 3.98Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.01Å; L44-W62 HydrophobicContact CB-CZ3 4.48Å; L44-W62 HydrophobicContact CD2-CZ3 4.32Å; L44-W62 HydrophobicContact CG-CZ3 4.14Å; L44-T65 HydrophobicContact CD2-CG2 3.98Å; L44-M69 HydrophobicContact CD2-CE 3.53Å |
| 45 | R | 85.7 | Confident | 76.6 | Confident | 101 Ų | 101 | 87.6 Ų | 87.6 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.2 | -167.1 | -178.9 | -174.5 | -177.9 | 3 | 111.1 | L41 D42 R43 I48 R49 W62 | L41-R45 PolarHBondContact O-N 3.15Å; D42-R45 WeakPolarHBondContact O-CB 3.38Å; D42-R45 PolarHBondContact O-N 3.15Å; R43-R45 VanDerWaalsContact C-N 3.26Å; R43-R45 PolarHBondContact O-N 2.63Å; R45-I48 PolarHBondContact O-N 3.02Å; R45-R49 VanDerWaalsContact NH2-NH2 3.12Å; R45-R49 WeakPolarHBondContact O-CB 3.42Å; R45-R49 VanDerWaalsContact O-CG 3.26Å; R45-R49 WeakPolarHBondContact O-CG 3.38Å; R45-R49 PolarHBondContact O-N 2.79Å; R45-W62 VanDerWaalsContact CA-CZ3 3.46Å; R45-W62 HydrophobicContact CB-CE3 4.05Å; R45-W62 HydrophobicContact CB-CH2 3.64Å; R45-W62 HydrophobicContact CB-CZ2 4.24Å; R45-W62 HydrophobicContact CB-CZ3 3.54Å; R45-W62 HydrophobicContact CG-CD2 4.19Å; R45-W62 HydrophobicContact CG-CE3 4.07Å; R45-W62 HydrophobicContact CG-CH2 4.02Å; R45-W62 HydrophobicContact CG-CZ2 4.12Å; R45-W62 HydrophobicContact CG-CZ3 4Å |
| 46 | D | 86.3 | Confident | 78.3 | Confident | 95 Ų | 95 | 88.5 Ų | 88.5 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 178.2 | -67.5 | -21.4 | 0 | 0 | 0 | 111.4 | D42 R43 I48 R49 S50 | D42-D46 PolarHBondContact O-N 3.08Å; D42-D46 VanDerWaalsContact O-N 3.07Å; R43-D46 PolarHBondContact O-N 2.91Å; D46-I48 PolarHBondContact O-N 3.27Å; D46-R49 CarbonylContact O-C 3.44Å; D46-R49 PolarHBondContact O-N 3.36Å; D46-S50 WeakPolarHBondContact O-CB 3.37Å; D46-S50 PolarHBondContact O-N 3.1Å |
| 47 | D | 86.2 | Confident | 80 | Confident | 99 Ų | 99 | 87.5 Ų | 87.5 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 175.3 | -69.6 | -21.4 | 0 | 0 | 0 | 110.8 | R43 L44 R49 S50 L51 | R43-D47 WeakPolarHBondContact O-CB 3.43Å; R43-D47 PolarHBondContact O-N 3.24Å; L44-D47 PolarHBondContact O-N 3.15Å; D47-R49 VanDerWaalsContact C-N 3.33Å; D47-R49 PolarHBondContact O-N 2.77Å; D47-S50 PolarHBondContact O-N 3.3Å; D47-S50 VanDerWaalsContact O-N 3.15Å; D47-S50 PolarHBondContact O-OG 3.12Å; D47-L51 PolarHBondContact O-N 3.5Å |
| 48 | I | 85.5 | Confident | 81.6 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.026 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 177.1 | -74.3 | 166.9 | 0 | 0 | 0 | 111.4 | I24 L44 R45 D46 S50 L51 Q58 L61 W62 | I24-I48 HydrophobicContact CD1-CD1 4.46Å; L44-I48 HydrophobicContact CD1-CD1 3.89Å; L44-I48 HydrophobicContact CD1-CG1 4.24Å; L44-I48 HydrophobicContact CG-CD1 3.98Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.01Å; R45-I48 PolarHBondContact O-N 3.02Å; D46-I48 PolarHBondContact O-N 3.27Å; I48-S50 VanDerWaalsContact C-N 3.28Å; I48-S50 PolarHBondContact O-N 3.32Å; I48-L51 WeakPolarHBondContact O-CB 3.3Å; I48-L51 PolarHBondContact O-N 2.86Å; I48-Q58 HydrophobicContact CG2-CB 4.32Å; I48-Q58 WeakPolarHBondContact CG2-O 3.46Å; I48-L61 HydrophobicContact CD1-CG 4.42Å; I48-L61 HydrophobicContact CG1-CD2 4.2Å; I48-L61 HydrophobicContact CG2-CB 4.42Å; I48-L61 HydrophobicContact CG2-CD2 4.18Å; I48-L61 HydrophobicContact CG2-CG 4.42Å; I48-W62 HydrophobicContact CD1-CE3 3.87Å; I48-W62 HydrophobicContact CG2-CB 4.39Å |
| 49 | R | 87.9 | Confident | 83.1 | Confident | 132 Ų | 132 | 84.1 Ų | 84.1 | 50% | 0.498 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.4 | -25.1 | 176 | -75.9 | 171.1 | 166.3 | -178.9 | -8.8 | 113.2 | R45 D46 D47 L51 Q58 | R45-R49 VanDerWaalsContact NH2-NH2 3.12Å; R45-R49 WeakPolarHBondContact O-CB 3.42Å; R45-R49 VanDerWaalsContact O-CG 3.26Å; R45-R49 WeakPolarHBondContact O-CG 3.38Å; R45-R49 PolarHBondContact O-N 2.79Å; D46-R49 CarbonylContact O-C 3.44Å; D46-R49 PolarHBondContact O-N 3.36Å; D47-R49 VanDerWaalsContact C-N 3.33Å; D47-R49 PolarHBondContact O-N 2.77Å; R49-L51 VanDerWaalsContact C-N 3.33Å; R49-Q58 PolarHBondContact O-NE2 2.89Å |
| 50 | S | 88.7 | Confident | 84.4 | Confident | 90 Ų | 90 | 85.3 Ų | 85.3 | 63% | 0.629 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -79.6 | -14.4 | 177 | 80.9 | 0 | 0 | 0 | 0 | 113.5 | D46 D47 I48 | D46-S50 WeakPolarHBondContact O-CB 3.37Å; D46-S50 PolarHBondContact O-N 3.1Å; D47-S50 PolarHBondContact O-N 3.3Å; D47-S50 VanDerWaalsContact O-N 3.15Å; D47-S50 PolarHBondContact O-OG 3.12Å; I48-S50 VanDerWaalsContact C-N 3.28Å; I48-S50 PolarHBondContact O-N 3.32Å |
| 51 | L | 87.1 | Confident | 85.2 | Confident | 69 Ų | 69 | 84 Ų | 84 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -61.9 | 136.5 | -179.4 | -66.9 | 173.9 | 0 | 0 | 0 | 110.9 | D47 I48 R49 I53 Q58 L61 | D47-L51 PolarHBondContact O-N 3.5Å; I48-L51 WeakPolarHBondContact O-CB 3.3Å; I48-L51 PolarHBondContact O-N 2.86Å; R49-L51 VanDerWaalsContact C-N 3.33Å; L51-I53 HydrophobicContact CB-CD1 4Å; L51-I53 HydrophobicContact CB-CG1 3.73Å; L51-I53 HydrophobicContact CD1-CD1 4.07Å; L51-I53 PolarHBondContact O-N 2.96Å; L51-Q58 PolarHBondContact O-NE2 2.88Å; L51-L61 HydrophobicContact CD1-CD2 3.7Å |
| 52 | P | 89.5 | Confident | 86 | Confident | 134 Ų | 134 | 84.8 Ų | 84.8 | 87% | 0.87 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -77.5 | 56.3 | -178.5 | 34.1 | -37.4 | 0 | 0 | 0 | 111.8 | ||
| 53 | I | 85.5 | Confident | 86.4 | Confident | 62 Ų | 62 | 83 Ų | 83 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -130.5 | 157.8 | -180 | 55.7 | 170.5 | 0 | 0 | 0 | 109.3 | L51 L57 Q58 | L51-I53 HydrophobicContact CB-CD1 4Å; L51-I53 HydrophobicContact CB-CG1 3.73Å; L51-I53 HydrophobicContact CD1-CD1 4.07Å; L51-I53 PolarHBondContact O-N 2.96Å; I53-L57 HydrophobicContact CB-CB 4.49Å; I53-L57 HydrophobicContact CB-CD2 3.95Å; I53-L57 HydrophobicContact CD1-CB 4.1Å; I53-L57 HydrophobicContact CD1-CD2 3.88Å; I53-L57 HydrophobicContact CD1-CG 3.84Å; I53-L57 HydrophobicContact CG1-CD2 4.45Å; I53-L57 HydrophobicContact CG2-CD2 4.11Å; I53-Q58 HydrophobicContact CD1-CG 3.93Å; I53-Q58 HydrophobicContact CG1-CG 3.62Å; I53-Q58 PolarHBondContact O-NE2 3.39Å |
| 54 | G | 88 | Confident | 86.6 | Confident | 52 Ų | 52 | 75.4 Ų | 75.4 | 54% | 0.536 | 38% | 0.381 | S | S | . | . | trans | -60.3 | 145.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R56 L57 Q58 | G54-R56 PolarHBondContact O-N 3.05Å; G54-R56 VanDerWaalsContact O-N 3.11Å; G54-L57 WeakPolarHBondContact O-CA 3.28Å; G54-L57 WeakPolarHBondContact O-CB 3.22Å; G54-L57 PolarHBondContact O-N 3.45Å; G54-Q58 PolarHBondContact O-N 3.02Å; G54-Q58 VanDerWaalsContact O-N 3.14Å | ||
| 55 | H | 89 | Confident | 86.8 | Confident | 136 Ų | 136 | 74.9 Ų | 74.9 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -49.5 | -41.3 | -177.1 | 180 | -81.7 | 0 | 0 | 0 | 113.6 | L57 Q58 Q59 | H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 PolarHBondContact O-N 3.4Å; H55-Q58 WeakPolarHBondContact O-CB 3.4Å; H55-Q58 PolarHBondContact O-N 3.48Å; H55-Q59 PolarHBondContact O-N 3.38Å |
| 56 | R | 86.6 | Confident | 86.8 | Confident | 193 Ų | 193 | 72.3 Ų | 72.3 | 73% | 0.728 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.5 | -42.8 | 176.2 | -178.4 | 178.6 | 174.9 | 164.2 | 7.2 | 112 | G54 Q59 E60 | G54-R56 PolarHBondContact O-N 3.05Å; G54-R56 VanDerWaalsContact O-N 3.11Å; R56-Q59 PolarHBondContact O-N 2.94Å; R56-E60 WeakPolarHBondContact CG-OE1 3.08Å; R56-E60 IonicContact CZ-OE1 2.94Å; R56-E60 IonicContact NE-OE1 3.78Å; R56-E60 PolarHBondContact NE-OE1 3.34Å; R56-E60 IonicContact NH2-OE1 2.94Å; R56-E60 WeakPolarHBondContact O-CB 3.36Å; R56-E60 VanDerWaalsContact O-CG 3.32Å; R56-E60 WeakPolarHBondContact O-CG 3.45Å; R56-E60 PolarHBondContact O-N 3.12Å |
| 57 | L | 85.2 | Confident | 86.7 | Confident | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70 | -36.5 | 179.2 | -168.8 | 64.5 | 0 | 0 | 0 | 111.7 | K17 I53 G54 H55 L61 | K17-L57 HydrophobicContact CD-CD1 4.42Å; I53-L57 HydrophobicContact CB-CB 4.49Å; I53-L57 HydrophobicContact CB-CD2 3.95Å; I53-L57 HydrophobicContact CD1-CB 4.1Å; I53-L57 HydrophobicContact CD1-CD2 3.88Å; I53-L57 HydrophobicContact CD1-CG 3.84Å; I53-L57 HydrophobicContact CG1-CD2 4.45Å; I53-L57 HydrophobicContact CG2-CD2 4.11Å; G54-L57 WeakPolarHBondContact O-CA 3.28Å; G54-L57 WeakPolarHBondContact O-CB 3.22Å; G54-L57 PolarHBondContact O-N 3.45Å; H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 PolarHBondContact O-N 3.4Å; L57-L61 VanDerWaalsContact O-CB 3.29Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 3.34Å |
| 58 | Q | 87.4 | Confident | 86.7 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 173.9 | -59.7 | 176.7 | -23.8 | 0 | 0 | 111.1 | I48 R49 L51 I53 G54 H55 L61 W62 | I48-Q58 HydrophobicContact CG2-CB 4.32Å; I48-Q58 WeakPolarHBondContact CG2-O 3.46Å; R49-Q58 PolarHBondContact O-NE2 2.89Å; L51-Q58 PolarHBondContact O-NE2 2.88Å; I53-Q58 HydrophobicContact CD1-CG 3.93Å; I53-Q58 HydrophobicContact CG1-CG 3.62Å; I53-Q58 PolarHBondContact O-NE2 3.39Å; G54-Q58 PolarHBondContact O-N 3.02Å; G54-Q58 VanDerWaalsContact O-N 3.14Å; H55-Q58 WeakPolarHBondContact O-CB 3.4Å; H55-Q58 PolarHBondContact O-N 3.48Å; Q58-L61 PolarHBondContact O-N 3.13Å; Q58-W62 WeakPolarHBondContact O-CB 3.41Å; Q58-W62 PolarHBondContact O-N 3.1Å |
| 59 | Q | 87.2 | Confident | 86.7 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 177.9 | -178 | 176.1 | -7.2 | 0 | 0 | 111.7 | H55 R56 L61 W62 E63 | H55-Q59 PolarHBondContact O-N 3.38Å; R56-Q59 PolarHBondContact O-N 2.94Å; Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 3.19Å; Q59-W62 PolarHBondContact O-N 3.33Å; Q59-E63 HydrophobicContact CG-CG 4.49Å; Q59-E63 VanDerWaalsContact CG-OE1 3.32Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.21Å; Q59-E63 PolarHBondContact NE2-OE1 3.34Å; Q59-E63 WeakPolarHBondContact O-CG 3.38Å; Q59-E63 PolarHBondContact O-N 2.87Å |
| 60 | E | 84.8 | Confident | 86.6 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -39.8 | 176.8 | -73.4 | 173.6 | -168 | 0 | 0 | 111.5 | K17 R56 T64 | K17-E60 IonicContact NZ-OE2 3.52Å; K17-E60 PolarHBondContact NZ-OE2 2.9Å; R56-E60 WeakPolarHBondContact CG-OE1 3.08Å; R56-E60 IonicContact CZ-OE1 2.94Å; R56-E60 IonicContact NE-OE1 3.78Å; R56-E60 PolarHBondContact NE-OE1 3.34Å; R56-E60 IonicContact NH2-OE1 2.94Å; R56-E60 WeakPolarHBondContact O-CB 3.36Å; R56-E60 VanDerWaalsContact O-CG 3.32Å; R56-E60 WeakPolarHBondContact O-CG 3.45Å; R56-E60 PolarHBondContact O-N 3.12Å; E60-T64 VanDerWaalsContact O-CB 3.28Å; E60-T64 WeakPolarHBondContact O-CB 3.25Å; E60-T64 PolarHBondContact O-N 3.48Å; E60-T64 PolarHBondContact O-OG1 3.32Å |
| 61 | L | 86.2 | Confident | 86.5 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.2 | -178.2 | 62.5 | 0 | 0 | 0 | 111.7 | A20 I48 L51 L57 Q58 Q59 T65 | A20-L61 HydrophobicContact CB-CD1 4.31Å; I48-L61 HydrophobicContact CD1-CG 4.42Å; I48-L61 HydrophobicContact CG1-CD2 4.2Å; I48-L61 HydrophobicContact CG2-CB 4.42Å; I48-L61 HydrophobicContact CG2-CD2 4.18Å; I48-L61 HydrophobicContact CG2-CG 4.42Å; L51-L61 HydrophobicContact CD1-CD2 3.7Å; L57-L61 VanDerWaalsContact O-CB 3.29Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 3.34Å; Q58-L61 PolarHBondContact O-N 3.13Å; Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 3.19Å; L61-T65 VanDerWaalsContact O-CB 3.28Å; L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 PolarHBondContact O-N 3.38Å; L61-T65 PolarHBondContact O-OG1 3.5Å |
| 62 | W | 88.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 21% | 0.212 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -51.7 | 175.9 | 175.2 | -105 | 0 | 0 | 0 | 111.5 | L44 R45 I48 Q58 Q59 T64 T65 M66 | L44-W62 HydrophobicContact CB-CZ3 4.48Å; L44-W62 HydrophobicContact CD2-CZ3 4.32Å; L44-W62 HydrophobicContact CG-CZ3 4.14Å; R45-W62 VanDerWaalsContact CA-CZ3 3.46Å; R45-W62 HydrophobicContact CB-CE3 4.05Å; R45-W62 HydrophobicContact CB-CH2 3.64Å; R45-W62 HydrophobicContact CB-CZ2 4.24Å; R45-W62 HydrophobicContact CB-CZ3 3.54Å; R45-W62 HydrophobicContact CG-CD2 4.19Å; R45-W62 HydrophobicContact CG-CE3 4.07Å; R45-W62 HydrophobicContact CG-CH2 4.02Å; R45-W62 HydrophobicContact CG-CZ2 4.12Å; R45-W62 HydrophobicContact CG-CZ3 4Å; I48-W62 HydrophobicContact CD1-CE3 3.87Å; I48-W62 HydrophobicContact CG2-CB 4.39Å; Q58-W62 WeakPolarHBondContact O-CB 3.41Å; Q58-W62 PolarHBondContact O-N 3.1Å; Q59-W62 PolarHBondContact O-N 3.33Å; W62-T64 PolarHBondContact O-N 3.42Å; W62-T65 PolarHBondContact O-N 2.73Å; W62-T65 VanDerWaalsContact O-N 3.17Å; W62-M66 HydrophobicContact CD2-CG 4.14Å; W62-M66 HydrophobicContact CH2-CG 4.35Å; W62-M66 HydrophobicContact CH2-SD 3.71Å; W62-M66 HydrophobicContact CZ2-CG 3.81Å; W62-M66 HydrophobicContact CZ2-SD 3.6Å; W62-M66 HydrophobicContact CZ3-SD 4.3Å; W62-M66 WeakPolarHBondContact O-CG 3.47Å; W62-M66 PolarHBondContact O-N 2.95Å |
| 63 | E | 85.2 | Confident | 86.3 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 179.8 | -71.9 | 175.1 | -163.8 | 0 | 0 | 112 | Q59 T65 M66 R67 | Q59-E63 HydrophobicContact CG-CG 4.49Å; Q59-E63 VanDerWaalsContact CG-OE1 3.32Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.21Å; Q59-E63 PolarHBondContact NE2-OE1 3.34Å; Q59-E63 WeakPolarHBondContact O-CG 3.38Å; Q59-E63 PolarHBondContact O-N 2.87Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.64Å; E63-M66 PolarHBondContact O-N 2.93Å; E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 3.04Å; E63-R67 IonicContact OE2-NH2 2.92Å |
| 64 | T | 85 | Confident | 86.3 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 176.8 | -53 | 0 | 0 | 0 | 0 | 110.8 | T21 E60 W62 R67 A68 V108 | T21-T64 HydrophobicContact CG2-CG2 4.1Å; T21-T64 WeakPolarHBondContact OG1-CG2 3.43Å; E60-T64 VanDerWaalsContact O-CB 3.28Å; E60-T64 WeakPolarHBondContact O-CB 3.25Å; E60-T64 PolarHBondContact O-N 3.48Å; E60-T64 PolarHBondContact O-OG1 3.32Å; W62-T64 PolarHBondContact O-N 3.42Å; T64-R67 PolarHBondContact O-N 3.5Å; T64-A68 WeakPolarHBondContact O-CB 3.36Å; T64-A68 PolarHBondContact O-N 3Å; T64-V108 HydrophobicContact CG2-CG2 3.46Å; T64-V108 VanDerWaalsContact CG2-CG2 3.46Å |
| 65 | T | 87.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | I24 V25 L44 L61 W62 E63 A68 M69 | I24-T65 HydrophobicContact CB-CG2 4.32Å; I24-T65 HydrophobicContact CG2-CG2 3.65Å; V25-T65 HydrophobicContact CG2-CG2 4.44Å; L44-T65 HydrophobicContact CD2-CG2 3.98Å; L61-T65 VanDerWaalsContact O-CB 3.28Å; L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 PolarHBondContact O-N 3.38Å; L61-T65 PolarHBondContact O-OG1 3.5Å; W62-T65 PolarHBondContact O-N 2.73Å; W62-T65 VanDerWaalsContact O-N 3.17Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.64Å; T65-A68 WeakPolarHBondContact O-CB 3.34Å; T65-A68 PolarHBondContact O-N 2.85Å; T65-M69 HydrophobicContact CG2-CE 4.25Å; T65-M69 WeakPolarHBondContact O-CG 3.37Å; T65-M69 PolarHBondContact O-N 3.48Å |
| 66 | M | 85.8 | Confident | 86.4 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 23% | 0.232 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.4 | -70.4 | -53.7 | -55.7 | 0 | 0 | 111.7 | W62 E63 A68 M69 E70 | W62-M66 HydrophobicContact CD2-CG 4.14Å; W62-M66 HydrophobicContact CH2-CG 4.35Å; W62-M66 HydrophobicContact CH2-SD 3.71Å; W62-M66 HydrophobicContact CZ2-CG 3.81Å; W62-M66 HydrophobicContact CZ2-SD 3.6Å; W62-M66 HydrophobicContact CZ3-SD 4.3Å; W62-M66 WeakPolarHBondContact O-CG 3.47Å; W62-M66 PolarHBondContact O-N 2.95Å; E63-M66 PolarHBondContact O-N 2.93Å; M66-A68 VanDerWaalsContact C-N 3.25Å; M66-A68 PolarHBondContact O-N 3.09Å; M66-M69 PolarHBondContact O-N 3.07Å; M66-M69 HydrophobicContact SD-SD 4.35Å; M66-E70 WeakPolarHBondContact O-CG 3.41Å; M66-E70 PolarHBondContact O-N 3.5Å |
| 67 | R | 84.1 | Confident | 86.3 | Confident | 151 Ų | 151 | 47.5 Ų | 47.5 | 57% | 0.57 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.9 | -37.9 | 174.2 | -69 | 179 | -156.1 | -177.8 | 6.3 | 112.1 | E63 T64 E70 E71 V108 | E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 3.04Å; E63-R67 IonicContact OE2-NH2 2.92Å; T64-R67 PolarHBondContact O-N 3.5Å; R67-E70 PolarHBondContact O-N 3.38Å; R67-E71 PolarHBondContact O-N 3.08Å; R67-V108 HydrophobicContact CB-CG1 4.13Å |
| 68 | A | 87.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T21 V25 T64 T65 M66 E71 V72 W103 V108 | T21-A68 HydrophobicContact CG2-CB 3.32Å; V25-A68 HydrophobicContact CG2-CB 3.41Å; V25-A68 VanDerWaalsContact CG2-CB 3.41Å; T64-A68 WeakPolarHBondContact O-CB 3.36Å; T64-A68 PolarHBondContact O-N 3Å; T65-A68 WeakPolarHBondContact O-CB 3.34Å; T65-A68 PolarHBondContact O-N 2.85Å; M66-A68 VanDerWaalsContact C-N 3.25Å; M66-A68 PolarHBondContact O-N 3.09Å; A68-E71 PolarHBondContact O-N 3.35Å; A68-V72 WeakPolarHBondContact O-CG2 3.38Å; A68-V72 PolarHBondContact O-N 3.08Å; A68-V72 VanDerWaalsContact O-N 3.1Å; A68-W103 HydrophobicContact CB-CH2 4.4Å; A68-W103 HydrophobicContact CB-CZ3 4.45Å; A68-V108 HydrophobicContact CB-CG1 3.21Å |
| 69 | M | 85.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -49.4 | 173.3 | -71.3 | -176.9 | 167.3 | 0 | 0 | 110.3 | I24 V25 V28 L29 L41 L44 T65 M66 E71 V72 I73 | I24-M69 HydrophobicContact CG2-CE 4.35Å; V25-M69 HydrophobicContact CG1-CG 4.38Å; V25-M69 HydrophobicContact CG2-CG 3.9Å; V28-M69 HydrophobicContact CB-CE 3.83Å; V28-M69 HydrophobicContact CG1-CE 3.66Å; V28-M69 HydrophobicContact CG2-CE 4.48Å; L29-M69 HydrophobicContact CD1-CG 4.42Å; L29-M69 HydrophobicContact CD2-CB 4.3Å; L29-M69 HydrophobicContact CD2-CE 4.48Å; L29-M69 HydrophobicContact CD2-CG 4.04Å; L29-M69 HydrophobicContact CD2-SD 4.29Å; L29-M69 HydrophobicContact CG-CG 4.25Å; L41-M69 HydrophobicContact CD2-CE 3.74Å; L41-M69 HydrophobicContact CD2-SD 3.39Å; L41-M69 WeakPolarHBondContact CD2-SD 3.46Å; L44-M69 HydrophobicContact CD2-CE 3.53Å; T65-M69 HydrophobicContact CG2-CE 4.25Å; T65-M69 WeakPolarHBondContact O-CG 3.37Å; T65-M69 PolarHBondContact O-N 3.48Å; M66-M69 PolarHBondContact O-N 3.07Å; M66-M69 HydrophobicContact SD-SD 4.35Å; M69-E71 VanDerWaalsContact C-N 3.27Å; M69-E71 PolarHBondContact O-N 3Å; M69-V72 PolarHBondContact O-N 3.49Å; M69-V72 VanDerWaalsContact O-N 3.14Å; M69-I73 WeakPolarHBondContact O-CB 3.39Å; M69-I73 WeakPolarHBondContact O-CG1 3.36Å; M69-I73 PolarHBondContact O-N 2.95Å |
| 70 | E | 84.2 | Confident | 86.8 | Confident | 117 Ų | 117 | 41.8 Ų | 41.8 | 55% | 0.547 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.4 | -42.7 | 176.5 | -72.3 | 169.1 | 178.3 | 0 | 0 | 112 | M66 R67 I73 A74 | M66-E70 WeakPolarHBondContact O-CG 3.41Å; M66-E70 PolarHBondContact O-N 3.5Å; R67-E70 PolarHBondContact O-N 3.38Å; E70-I73 PolarHBondContact O-N 3.34Å; E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 2.83Å |
| 71 | E | 87.6 | Confident | 87.1 | Confident | 44 Ų | 44 | 40.1 Ų | 40.1 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.1 | -177.4 | 57.1 | -149.5 | 0 | 0 | 112.7 | R67 A68 M69 I73 A74 W75 R78 V110 | R67-E71 PolarHBondContact O-N 3.08Å; A68-E71 PolarHBondContact O-N 3.35Å; M69-E71 VanDerWaalsContact C-N 3.27Å; M69-E71 PolarHBondContact O-N 3Å; E71-I73 VanDerWaalsContact C-N 3.29Å; E71-I73 PolarHBondContact O-N 3.07Å; E71-A74 WeakPolarHBondContact O-CB 3.29Å; E71-A74 PolarHBondContact O-N 3.35Å; E71-W75 WeakPolarHBondContact O-CB 3.5Å; E71-W75 PolarHBondContact O-N 3.41Å; E71-R78 IonicContact OE1-CZ 2.96Å; E71-R78 IonicContact OE1-NH1 3.74Å; E71-R78 IonicContact OE1-NH2 3.83Å; E71-R78 PolarHBondContact OE1-NH2 3.02Å; E71-V110 HydrophobicContact CG-CB 4.19Å; E71-V110 HydrophobicContact CG-CG2 3.85Å |
| 72 | V | 88 | Confident | 87.3 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -35.1 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | V25 L29 A68 M69 W75 W76 V98 L101 W103 V110 | V25-V72 HydrophobicContact CG1-CB 4.27Å; V25-V72 HydrophobicContact CG1-CG2 3.69Å; L29-V72 HydrophobicContact CD1-CB 3.57Å; L29-V72 HydrophobicContact CD1-CG1 3.46Å; L29-V72 VanDerWaalsContact CD1-CG1 3.46Å; L29-V72 HydrophobicContact CD1-CG2 4.31Å; A68-V72 WeakPolarHBondContact O-CG2 3.38Å; A68-V72 PolarHBondContact O-N 3.08Å; A68-V72 VanDerWaalsContact O-N 3.1Å; M69-V72 PolarHBondContact O-N 3.49Å; M69-V72 VanDerWaalsContact O-N 3.14Å; V72-W75 WeakPolarHBondContact O-CB 3.41Å; V72-W75 PolarHBondContact O-N 3.13Å; V72-W76 WeakPolarHBondContact O-CB 3.31Å; V72-W76 PolarHBondContact O-N 3.03Å; V72-V98 HydrophobicContact CG1-CG1 3.89Å; V72-V98 HydrophobicContact CG1-CG2 3.88Å; V72-L101 HydrophobicContact CG1-CD1 4.13Å; V72-L101 HydrophobicContact CG2-CD1 3.96Å; V72-W103 HydrophobicContact CG2-CH2 3.51Å; V72-W103 HydrophobicContact CG2-CZ2 3.9Å; V72-W103 HydrophobicContact CG2-CZ3 4.5Å; V72-V110 HydrophobicContact CG2-CG2 4.47Å |
| 73 | I | 84.6 | Confident | 87.3 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 22% | 0.221 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.2 | -65.6 | -179.7 | 0 | 0 | 0 | 110 | F33 M69 E70 E71 W76 H77 | F33-I73 HydrophobicContact CE2-CD1 4.09Å; F33-I73 HydrophobicContact CE2-CG1 3.73Å; F33-I73 HydrophobicContact CZ-CB 4.47Å; F33-I73 HydrophobicContact CZ-CD1 3.96Å; F33-I73 HydrophobicContact CZ-CG1 3.61Å; F33-I73 HydrophobicContact CZ-CG2 4.4Å; M69-I73 WeakPolarHBondContact O-CB 3.39Å; M69-I73 WeakPolarHBondContact O-CG1 3.36Å; M69-I73 PolarHBondContact O-N 2.95Å; E70-I73 PolarHBondContact O-N 3.34Å; E71-I73 VanDerWaalsContact C-N 3.29Å; E71-I73 PolarHBondContact O-N 3.07Å; I73-W76 PolarHBondContact O-N 3.1Å; I73-H77 PolarHBondContact O-CD2 3.22Å; I73-H77 PolarHBondContact O-N 3.49Å |
| 74 | A | 84.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 28% | 0.281 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E70 E71 W76 H77 R78 | E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 2.83Å; E71-A74 WeakPolarHBondContact O-CB 3.29Å; E71-A74 PolarHBondContact O-N 3.35Å; A74-W76 VanDerWaalsContact C-N 3.34Å; A74-W76 PolarHBondContact O-N 2.87Å; A74-H77 PolarHBondContact O-N 3.4Å; A74-R78 WeakPolarHBondContact O-CG 3.44Å; A74-R78 PolarHBondContact O-N 2.81Å |
| 75 | W | 90.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.3 | -49.3 | 173 | 176.5 | 92.6 | 0 | 0 | 0 | 111.4 | E71 V72 H77 R78 H79 L94 L101 V110 L119 | E71-W75 WeakPolarHBondContact O-CB 3.5Å; E71-W75 PolarHBondContact O-N 3.41Å; V72-W75 WeakPolarHBondContact O-CB 3.41Å; V72-W75 PolarHBondContact O-N 3.13Å; W75-H77 PolarHBondContact O-N 2.96Å; W75-R78 PolarHBondContact O-N 3.33Å; W75-H79 AromaticContact CD1-CE1 3.3Å; W75-H79 AromaticContact CD1-ND1 3.59Å; W75-H79 AromaticContact CD2-ND1 3.73Å; W75-H79 AromaticContact CE2-CE1 3.46Å; W75-H79 VanDerWaalsContact CE2-CE1 3.46Å; W75-H79 AromaticContact CE2-CG 3.88Å; W75-H79 AromaticContact CE2-ND1 3.45Å; W75-H79 AromaticContact CE2-NE2 3.87Å; W75-H79 AromaticContact CG-CE1 3.95Å; W75-H79 AromaticContact CG-ND1 3.77Å; W75-H79 AromaticContact CZ2-CG 3.98Å; W75-H79 AromaticContact NE1-CE1 2.96Å; W75-H79 PolarHBondContact NE1-CE1 3.07Å; W75-H79 AromaticContact NE1-ND1 3.4Å; W75-H79 PolarHBondContact NE1-ND1 2.96Å; W75-H79 AromaticContact NE1-NE2 3.52Å; W75-H79 PolarHBondContact O-N 2.87Å; W75-H79 PolarHBondContact O-ND1 3.34Å; W75-L94 HydrophobicContact CH2-CB 4.22Å; W75-L94 HydrophobicContact CH2-CD2 4.2Å; W75-L94 HydrophobicContact CZ3-CB 4.04Å; W75-L101 HydrophobicContact CD2-CD1 4.19Å; W75-L101 HydrophobicContact CD2-CD2 3.8Å; W75-L101 HydrophobicContact CE3-CD1 4.23Å; W75-L101 HydrophobicContact CE3-CD2 4.19Å; W75-L101 HydrophobicContact CG-CD1 4.48Å; W75-L101 HydrophobicContact CG-CD2 4.41Å; W75-L101 HydrophobicContact CH2-CD2 3.92Å; W75-L101 HydrophobicContact CZ2-CD2 3.49Å; W75-L101 VanDerWaalsContact CZ2-CD2 3.49Å; W75-L101 HydrophobicContact CZ3-CD2 4.23Å; W75-V110 HydrophobicContact CG-CG1 4.39Å; W75-L119 HydrophobicContact CH2-CD1 4.18Å; W75-L119 HydrophobicContact CZ2-CD1 3.86Å |
| 76 | W | 88.4 | Confident | 85.1 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 17% | 0.17 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 179.6 | 178.2 | 80.6 | 0 | 0 | 0 | 111.6 | F33 V72 I73 A74 H79 S80 C91 L95 | F33-W76 HydrophobicContact CE1-CE3 4.4Å; V72-W76 WeakPolarHBondContact O-CB 3.31Å; V72-W76 PolarHBondContact O-N 3.03Å; I73-W76 PolarHBondContact O-N 3.1Å; A74-W76 VanDerWaalsContact C-N 3.34Å; A74-W76 PolarHBondContact O-N 2.87Å; W76-H79 PolarHBondContact O-N 3.41Å; W76-S80 WeakPolarHBondContact O-CB 3.37Å; W76-S80 PolarHBondContact O-N 3.21Å; W76-C91 PolarHBondContact NE1-O 2.9Å; W76-C91 VanDerWaalsContact NE1-O 3.13Å; W76-L95 HydrophobicContact CG-CD2 4.44Å |
| 77 | H | 85.2 | Confident | 84 | Confident | 103 Ų | 103 | 45.4 Ų | 45.4 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.9 | -78.4 | -61.6 | 0 | 0 | 0 | 112.1 | I73 A74 W75 H79 S80 | I73-H77 PolarHBondContact O-CD2 3.22Å; I73-H77 PolarHBondContact O-N 3.49Å; A74-H77 PolarHBondContact O-N 3.4Å; W75-H77 PolarHBondContact O-N 2.96Å; H77-H79 VanDerWaalsContact C-N 3.34Å; H77-H79 PolarHBondContact O-N 3.49Å; H77-S80 WeakPolarHBondContact O-CB 3.26Å; H77-S80 PolarHBondContact O-N 3.18Å; H77-S80 PolarHBondContact O-OG 3.44Å |
| 78 | R | 89.8 | Confident | 82.9 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.1 | -50 | 174.4 | -73.6 | -162 | -73.1 | -77.6 | 0.6 | 111.3 | E71 A74 W75 S80 A81 D112 N199 F201 N234 | E71-R78 IonicContact OE1-CZ 2.96Å; E71-R78 IonicContact OE1-NH1 3.74Å; E71-R78 IonicContact OE1-NH2 3.83Å; E71-R78 PolarHBondContact OE1-NH2 3.02Å; A74-R78 WeakPolarHBondContact O-CG 3.44Å; A74-R78 PolarHBondContact O-N 2.81Å; W75-R78 PolarHBondContact O-N 3.33Å; R78-S80 VanDerWaalsContact C-N 3.34Å; R78-S80 PolarHBondContact O-N 3.01Å; R78-A81 VanDerWaalsContact O-CB 3.27Å; R78-A81 WeakPolarHBondContact O-CB 3.33Å; R78-A81 PolarHBondContact O-N 3.34Å; R78-D112 IonicContact CZ-OD1 3.94Å; R78-D112 IonicContact CZ-OD2 3.85Å; R78-D112 IonicContact NE-OD2 3.99Å; R78-D112 PolarHBondContact NE-OD2 2.97Å; R78-D112 IonicContact NH2-OD1 3.83Å; R78-D112 PolarHBondContact NH2-OD1 3.44Å; R78-D112 IonicContact NH2-OD2 2.78Å; R78-D112 PolarHBondContact NH2-OD2 3.11Å; R78-N199 WeakPolarHBondContact CG-O 3.25Å; R78-F201 WeakPolarHBondContact O-CZ 3.47Å; R78-N234 VanDerWaalsContact CD-OD1 3.28Å; R78-N234 WeakPolarHBondContact CD-OD1 3.19Å; R78-N234 PolarHBondContact NH1-OD1 2.77Å |
| 79 | H | 91.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.7 | -22.7 | -176.1 | -70.9 | 75.9 | 0 | 0 | 0 | 113.4 | W75 W76 H77 A81 L82 L94 Y137 | W75-H79 AromaticContact CD1-CE1 3.3Å; W75-H79 AromaticContact CD1-ND1 3.59Å; W75-H79 AromaticContact CD2-ND1 3.73Å; W75-H79 AromaticContact CE2-CE1 3.46Å; W75-H79 VanDerWaalsContact CE2-CE1 3.46Å; W75-H79 AromaticContact CE2-CG 3.88Å; W75-H79 AromaticContact CE2-ND1 3.45Å; W75-H79 AromaticContact CE2-NE2 3.87Å; W75-H79 AromaticContact CG-CE1 3.95Å; W75-H79 AromaticContact CG-ND1 3.77Å; W75-H79 AromaticContact CZ2-CG 3.98Å; W75-H79 AromaticContact NE1-CE1 2.96Å; W75-H79 PolarHBondContact NE1-CE1 3.07Å; W75-H79 AromaticContact NE1-ND1 3.4Å; W75-H79 PolarHBondContact NE1-ND1 2.96Å; W75-H79 AromaticContact NE1-NE2 3.52Å; W75-H79 PolarHBondContact O-N 2.87Å; W75-H79 PolarHBondContact O-ND1 3.34Å; W76-H79 PolarHBondContact O-N 3.41Å; H77-H79 VanDerWaalsContact C-N 3.34Å; H77-H79 PolarHBondContact O-N 3.49Å; H79-A81 PolarHBondContact O-N 3.44Å; H79-L82 HydrophobicContact CB-CD1 4.48Å; H79-L82 VanDerWaalsContact O-CB 3.28Å; H79-L82 WeakPolarHBondContact O-CB 3.27Å; H79-L82 WeakPolarHBondContact O-CG 3.32Å; H79-L82 PolarHBondContact O-N 3.21Å; H79-L82 VanDerWaalsContact O-N 3.1Å; H79-L94 HydrophobicContact CB-CD1 3.61Å; H79-L94 HydrophobicContact CB-CD2 4.34Å; H79-Y137 PolarHBondContact CE1-OH 2.92Å; H79-Y137 AromaticContact NE2-CE2 3.45Å; H79-Y137 WeakPolarHBondContact NE2-CE2 3.1Å; H79-Y137 AromaticContact NE2-CZ 3.49Å; H79-Y137 PolarHBondContact NE2-OH 3.29Å |
| 80 | S | 88.8 | Confident | 81 | Confident | 34 Ų | 34 | 51 Ų | 51 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -29.4 | 172.1 | 79.5 | 0 | 0 | 0 | 0 | 111.8 | W76 H77 R78 L82 F83 | W76-S80 WeakPolarHBondContact O-CB 3.37Å; W76-S80 PolarHBondContact O-N 3.21Å; H77-S80 WeakPolarHBondContact O-CB 3.26Å; H77-S80 PolarHBondContact O-N 3.18Å; H77-S80 PolarHBondContact O-OG 3.44Å; R78-S80 VanDerWaalsContact C-N 3.34Å; R78-S80 PolarHBondContact O-N 3.01Å; S80-L82 PolarHBondContact O-N 3.45Å; S80-L82 VanDerWaalsContact O-N 3.14Å; S80-F83 PolarHBondContact O-N 3.19Å |
| 81 | A | 90.6 | Very high | 80.4 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R78 H79 F83 H161 W195 N199 | R78-A81 VanDerWaalsContact O-CB 3.27Å; R78-A81 WeakPolarHBondContact O-CB 3.33Å; R78-A81 PolarHBondContact O-N 3.34Å; H79-A81 PolarHBondContact O-N 3.44Å; A81-F83 PolarHBondContact O-N 2.81Å; A81-H161 PolarHBondContact O-NE2 3.43Å; A81-W195 HydrophobicContact CB-CZ2 4.08Å; A81-N199 HydrophobicContact CB-CB 4.19Å; A81-N199 VanDerWaalsContact CB-OD1 3.27Å; A81-N199 WeakPolarHBondContact CB-OD1 3.49Å |
| 82 | L | 92 | Very high | 79.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -21 | 174.2 | -58.4 | 178.8 | 0 | 0 | 0 | 112.2 | H79 S80 Q132 L133 A136 L163 Y164 W195 F201 | H79-L82 HydrophobicContact CB-CD1 4.48Å; H79-L82 VanDerWaalsContact O-CB 3.28Å; H79-L82 WeakPolarHBondContact O-CB 3.27Å; H79-L82 WeakPolarHBondContact O-CG 3.32Å; H79-L82 PolarHBondContact O-N 3.21Å; H79-L82 VanDerWaalsContact O-N 3.1Å; S80-L82 PolarHBondContact O-N 3.45Å; S80-L82 VanDerWaalsContact O-N 3.14Å; L82-Q132 PolarHBondContact O-NE2 2.84Å; L82-L133 HydrophobicContact CD1-CD2 4.49Å; L82-A136 HydrophobicContact CD1-CB 4.28Å; L82-A136 HydrophobicContact CD2-CB 3.59Å; L82-L163 HydrophobicContact CD2-CD2 3.75Å; L82-Y164 WeakPolarHBondContact CB-OH 3.43Å; L82-Y164 PolarHBondContact O-OH 3.13Å; L82-W195 HydrophobicContact CD2-CH2 3.76Å; L82-W195 HydrophobicContact CD2-CZ2 4.25Å; L82-F201 HydrophobicContact CD2-CE1 4.35Å; L82-F201 HydrophobicContact CD2-CE2 4.29Å; L82-F201 HydrophobicContact CD2-CZ 3.79Å; L82-F201 HydrophobicContact CG-CZ 4.16Å |
| 83 | F | 88.3 | Confident | 79.5 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -95.6 | 120.6 | -176.5 | -61.2 | -89.5 | 0 | 0 | 0 | 109.5 | S80 A81 M87 R90 C91 L94 L129 | S80-F83 PolarHBondContact O-N 3.19Å; A81-F83 PolarHBondContact O-N 2.81Å; F83-M87 HydrophobicContact CB-CB 4.22Å; F83-M87 HydrophobicContact CD1-CB 4.2Å; F83-R90 HydrophobicContact CD1-CB 3.96Å; F83-R90 HydrophobicContact CE1-CB 3.95Å; F83-C91 HydrophobicContact CD2-CB 4.03Å; F83-C91 HydrophobicContact CE2-CB 4.47Å; F83-C91 HydrophobicContact CG-CB 4.45Å; F83-L94 HydrophobicContact CE2-CD1 3.91Å; F83-L94 HydrophobicContact CE2-CD2 4.11Å; F83-L94 HydrophobicContact CE2-CG 4.05Å; F83-L94 HydrophobicContact CZ-CD2 4.36Å; F83-L129 HydrophobicContact CZ-CD1 4.46Å |
| 84 | L | 77.1 | Confident | 79.5 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | trans | -53.5 | 148.9 | 165.2 | -74.7 | 169.3 | 0 | 0 | 0 | 109.4 | R86 M87 A88 H161 | L84-R86 HydrophobicContact CB-CG 4.03Å; L84-R86 PolarHBondContact O-N 3.43Å; L84-M87 CarbonylContact O-C 3.58Å; L84-M87 WeakPolarHBondContact O-CA 3.47Å; L84-M87 WeakPolarHBondContact O-CB 3.41Å; L84-M87 PolarHBondContact O-N 3.5Å; L84-A88 PolarHBondContact O-N 2.96Å; L84-H161 HydrophobicContact CD2-CB 3.92Å; L84-H161 HydrophobicContact CG-CB 4.32Å | ||
| 85 | S | 69.2 | Low | 79.4 | Confident | 113 Ų | 113 | 47.5 Ų | 47.5 | 79% | 0.79 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -49.2 | -37.2 | -178.1 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | M87 A88 | S85-M87 PolarHBondContact O-N 3.12Å; S85-M87 VanDerWaalsContact O-N 3.1Å; S85-A88 VanDerWaalsContact O-CB 3.31Å; S85-A88 WeakPolarHBondContact O-CB 3.08Å; S85-A88 PolarHBondContact O-N 3.5Å |
| 86 | R | 65 | Low | 79.1 | Confident | 150 Ų | 150 | 53.4 Ų | 53.4 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.9 | -13.5 | 174 | 66.1 | 179.6 | 174.8 | -166.2 | -7.8 | 115.4 | L84 R157 | L84-R86 HydrophobicContact CB-CG 4.03Å; L84-R86 PolarHBondContact O-N 3.43Å; R86-R157 VanDerWaalsContact NH2-C 3.26Å; R86-R157 PolarHBondContact NH2-O 3.18Å |
| 87 | M | 61.6 | Low | 79 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -116.5 | 14.4 | 178.1 | -59.7 | -166.7 | -179.5 | 0 | 0 | 112 | F83 L84 S85 T89 R90 Q128 | F83-M87 HydrophobicContact CB-CB 4.22Å; F83-M87 HydrophobicContact CD1-CB 4.2Å; L84-M87 CarbonylContact O-C 3.58Å; L84-M87 WeakPolarHBondContact O-CA 3.47Å; L84-M87 WeakPolarHBondContact O-CB 3.41Å; L84-M87 PolarHBondContact O-N 3.5Å; S85-M87 PolarHBondContact O-N 3.12Å; S85-M87 VanDerWaalsContact O-N 3.1Å; M87-T89 PolarHBondContact O-N 3.32Å; M87-T89 VanDerWaalsContact O-N 3.17Å; M87-R90 HydrophobicContact CB-CG 4.48Å; M87-R90 WeakPolarHBondContact O-CA 2.88Å; M87-R90 VanDerWaalsContact O-CB 3.27Å; M87-R90 WeakPolarHBondContact O-CB 3.48Å; M87-R90 PolarHBondContact O-N 2.99Å; M87-Q128 PolarHBondContact SD-NE2 3.24Å |
| 88 | A | 61 | Low | 79 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.8 | -35.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L84 S85 R90 C91 | L84-A88 PolarHBondContact O-N 2.96Å; S85-A88 VanDerWaalsContact O-CB 3.31Å; S85-A88 WeakPolarHBondContact O-CB 3.08Å; S85-A88 PolarHBondContact O-N 3.5Å; A88-R90 PolarHBondContact O-N 2.87Å; A88-R90 VanDerWaalsContact O-N 3.08Å; A88-C91 PolarHBondContact O-N 2.81Å; A88-C91 PolarHBondContact O-SG 2.87Å |
| 89 | T | 65.6 | Low | 78.9 | Confident | 125 Ų | 125 | 48.7 Ų | 48.7 | 77% | 0.767 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.6 | -23.8 | 174.2 | 56 | 0 | 0 | 0 | 0 | 113.3 | M87 | M87-T89 PolarHBondContact O-N 3.32Å; M87-T89 VanDerWaalsContact O-N 3.17Å |
| 90 | R | 66.7 | Low | 78.9 | Confident | 92 Ų | 92 | 51.3 Ų | 51.3 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -79.4 | -21.4 | 178.3 | -60.8 | -173.3 | 176.6 | -175.8 | -3.5 | 113.2 | F83 M87 A88 G92 H93 | F83-R90 HydrophobicContact CD1-CB 3.96Å; F83-R90 HydrophobicContact CE1-CB 3.95Å; M87-R90 HydrophobicContact CB-CG 4.48Å; M87-R90 WeakPolarHBondContact O-CA 2.88Å; M87-R90 VanDerWaalsContact O-CB 3.27Å; M87-R90 WeakPolarHBondContact O-CB 3.48Å; M87-R90 PolarHBondContact O-N 2.99Å; A88-R90 PolarHBondContact O-N 2.87Å; A88-R90 VanDerWaalsContact O-N 3.08Å; R90-G92 PolarHBondContact O-N 3Å; R90-H93 WeakPolarHBondContact CA-ND1 3.36Å; R90-H93 WeakPolarHBondContact O-CB 3.41Å; R90-H93 PolarHBondContact O-N 3.33Å; R90-H93 PolarHBondContact O-ND1 3.01Å |
| 91 | C | 72.9 | Confident | 79 | Confident | 22 Ų | 22 | 50 Ų | 50 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -22.8 | 178.2 | 78 | 0 | 0 | 0 | 0 | 112.2 | W76 F83 A88 H93 L94 | W76-C91 PolarHBondContact NE1-O 2.9Å; W76-C91 VanDerWaalsContact NE1-O 3.13Å; F83-C91 HydrophobicContact CD2-CB 4.03Å; F83-C91 HydrophobicContact CE2-CB 4.47Å; F83-C91 HydrophobicContact CG-CB 4.45Å; A88-C91 PolarHBondContact O-N 2.81Å; A88-C91 PolarHBondContact O-SG 2.87Å; C91-H93 PolarHBondContact O-N 2.68Å; C91-L94 HydrophobicContact CB-CD1 4.43Å; C91-L94 VanDerWaalsContact O-CB 3.23Å; C91-L94 WeakPolarHBondContact O-CB 3.26Å; C91-L94 WeakPolarHBondContact O-CG 3.49Å; C91-L94 PolarHBondContact O-N 3.33Å |
| 92 | G | 75.4 | Confident | 79.1 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -59.5 | -27.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | R90 L94 L95 | R90-G92 PolarHBondContact O-N 3Å; G92-L94 PolarHBondContact O-N 3.37Å; G92-L95 WeakPolarHBondContact O-CB 3.22Å; G92-L95 PolarHBondContact O-N 2.95Å |
| 93 | H | 81.1 | Confident | 78.9 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 38% | 0.384 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -67.3 | -21.3 | 176 | -63.3 | 85.7 | 0 | 0 | 0 | 112.6 | R90 C91 L95 L96 W126 | R90-H93 WeakPolarHBondContact CA-ND1 3.36Å; R90-H93 WeakPolarHBondContact O-CB 3.41Å; R90-H93 PolarHBondContact O-N 3.33Å; R90-H93 PolarHBondContact O-ND1 3.01Å; C91-H93 PolarHBondContact O-N 2.68Å; H93-L95 PolarHBondContact O-N 2.97Å; H93-L95 VanDerWaalsContact O-N 3.16Å; H93-L96 HydrophobicContact CB-CD1 4.44Å; H93-L96 VanDerWaalsContact O-CB 3.29Å; H93-L96 WeakPolarHBondContact O-CB 3.16Å; H93-L96 PolarHBondContact O-N 3.17Å; H93-W126 HydrophobicContact CB-CH2 4.01Å; H93-W126 HydrophobicContact CB-CZ3 4.2Å |
| 94 | L | 84.6 | Confident | 78.8 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -59.4 | -27.5 | 175.5 | -65.5 | 174.8 | 0 | 0 | 0 | 112 | W75 H79 F83 C91 G92 L96 Y97 | W75-L94 HydrophobicContact CH2-CB 4.22Å; W75-L94 HydrophobicContact CH2-CD2 4.2Å; W75-L94 HydrophobicContact CZ3-CB 4.04Å; H79-L94 HydrophobicContact CB-CD1 3.61Å; H79-L94 HydrophobicContact CB-CD2 4.34Å; F83-L94 HydrophobicContact CE2-CD1 3.91Å; F83-L94 HydrophobicContact CE2-CD2 4.11Å; F83-L94 HydrophobicContact CE2-CG 4.05Å; F83-L94 HydrophobicContact CZ-CD2 4.36Å; C91-L94 HydrophobicContact CB-CD1 4.43Å; C91-L94 VanDerWaalsContact O-CB 3.23Å; C91-L94 WeakPolarHBondContact O-CB 3.26Å; C91-L94 WeakPolarHBondContact O-CG 3.49Å; C91-L94 PolarHBondContact O-N 3.33Å; G92-L94 PolarHBondContact O-N 3.37Å; L94-L96 PolarHBondContact O-N 2.8Å; L94-Y97 PolarHBondContact O-N 2.93Å; L94-Y97 VanDerWaalsContact O-N 3.11Å |
| 95 | L | 81.8 | Confident | 78.5 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -66.2 | -24.2 | 177.5 | -62.1 | 168.6 | 0 | 0 | 0 | 112.9 | F33 W76 G92 H93 Y97 V98 | F33-L95 HydrophobicContact CB-CD1 3.49Å; F33-L95 VanDerWaalsContact CB-CD1 3.49Å; F33-L95 HydrophobicContact CB-CD2 3.82Å; F33-L95 HydrophobicContact CB-CG 4.3Å; F33-L95 HydrophobicContact CD1-CD1 4.44Å; F33-L95 HydrophobicContact CD1-CD2 4.14Å; F33-L95 HydrophobicContact CD2-CD2 3.95Å; F33-L95 HydrophobicContact CG-CD1 4.14Å; F33-L95 HydrophobicContact CG-CD2 3.69Å; W76-L95 HydrophobicContact CG-CD2 4.44Å; G92-L95 WeakPolarHBondContact O-CB 3.22Å; G92-L95 PolarHBondContact O-N 2.95Å; H93-L95 PolarHBondContact O-N 2.97Å; H93-L95 VanDerWaalsContact O-N 3.16Å; L95-Y97 PolarHBondContact O-N 3.2Å; L95-V98 WeakPolarHBondContact O-CG2 3.46Å; L95-V98 PolarHBondContact O-N 3.37Å |
| 96 | L | 83.8 | Confident | 78.3 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -67.9 | -22.1 | 175.7 | -59.1 | 176 | 0 | 0 | 0 | 111.9 | H93 L94 | H93-L96 HydrophobicContact CB-CD1 4.44Å; H93-L96 VanDerWaalsContact O-CB 3.29Å; H93-L96 WeakPolarHBondContact O-CB 3.16Å; H93-L96 PolarHBondContact O-N 3.17Å; L94-L96 PolarHBondContact O-N 2.8Å |
| 97 | Y | 87.9 | Confident | 78.5 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -97.2 | 0.9 | -176.2 | -59.5 | -56.9 | 0 | 0 | 0 | 113.9 | L94 L95 G99 N100 L101 L119 N123 L129 | L94-Y97 PolarHBondContact O-N 2.93Å; L94-Y97 VanDerWaalsContact O-N 3.11Å; L95-Y97 PolarHBondContact O-N 3.2Å; Y97-G99 PolarHBondContact O-N 3.3Å; Y97-N100 WeakPolarHBondContact O-CA 3.42Å; Y97-N100 WeakPolarHBondContact O-CB 3.4Å; Y97-N100 PolarHBondContact O-N 3.39Å; Y97-L101 PolarHBondContact O-N 3.39Å; Y97-L119 HydrophobicContact CD1-CD2 3.62Å; Y97-L119 HydrophobicContact CD2-CD1 4.37Å; Y97-L119 HydrophobicContact CE1-CD2 4.48Å; Y97-L119 HydrophobicContact CG-CD1 4.15Å; Y97-L119 HydrophobicContact CG-CD2 3.68Å; Y97-N123 VanDerWaalsContact CE1-ND2 3.34Å; Y97-N123 WeakPolarHBondContact CE1-ND2 3.31Å; Y97-N123 PolarHBondContact OH-ND2 3.23Å; Y97-N123 PolarHBondContact OH-OD1 2.84Å; Y97-L129 HydrophobicContact CE2-CD2 3.85Å |
| 98 | V | 85.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -56.2 | -36.4 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | I26 P30 V72 L95 N100 L101 | I26-V98 HydrophobicContact CG1-CG1 4.31Å; P30-V98 HydrophobicContact CG-CB 4.28Å; V72-V98 HydrophobicContact CG1-CG1 3.89Å; V72-V98 HydrophobicContact CG1-CG2 3.88Å; L95-V98 WeakPolarHBondContact O-CG2 3.46Å; L95-V98 PolarHBondContact O-N 3.37Å; V98-N100 PolarHBondContact O-N 3.07Å; V98-L101 WeakPolarHBondContact O-CG 3.48Å; V98-L101 PolarHBondContact O-N 3.44Å |
| 99 | G | 86.1 | Confident | 80.6 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 46% | 0.464 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -70.8 | -14.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y97 | Y97-G99 PolarHBondContact O-N 3.3Š|
| 100 | N | 91.1 | Very high | 81.7 | Confident | 54 Ų | 54 | 56 Ų | 56 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -101.6 | -1.2 | 179.7 | -59.8 | 101 | 0 | 0 | 0 | 112.7 | Y97 V98 R102 E118 L119 L122 | Y97-N100 WeakPolarHBondContact O-CA 3.42Å; Y97-N100 WeakPolarHBondContact O-CB 3.4Å; Y97-N100 PolarHBondContact O-N 3.39Å; V98-N100 PolarHBondContact O-N 3.07Å; N100-R102 PolarHBondContact O-N 3.24Å; N100-E118 HydrophobicContact CB-CG 4.46Å; N100-L119 HydrophobicContact CB-CD2 3.72Å; N100-L122 HydrophobicContact CB-CD1 3.96Å; N100-L122 VanDerWaalsContact ND2-CD1 3.29Å; N100-L122 WeakPolarHBondContact ND2-CD1 3.48Å |
| 101 | L | 91.7 | Very high | 82.9 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | trans | -62.4 | 131.6 | 177.2 | -61.5 | -179.8 | 0 | 0 | 0 | 110.4 | V72 W75 Y97 V98 W103 V110 | V72-L101 HydrophobicContact CG1-CD1 4.13Å; V72-L101 HydrophobicContact CG2-CD1 3.96Å; W75-L101 HydrophobicContact CD2-CD1 4.19Å; W75-L101 HydrophobicContact CD2-CD2 3.8Å; W75-L101 HydrophobicContact CE3-CD1 4.23Å; W75-L101 HydrophobicContact CE3-CD2 4.19Å; W75-L101 HydrophobicContact CG-CD1 4.48Å; W75-L101 HydrophobicContact CG-CD2 4.41Å; W75-L101 HydrophobicContact CH2-CD2 3.92Å; W75-L101 HydrophobicContact CZ2-CD2 3.49Å; W75-L101 VanDerWaalsContact CZ2-CD2 3.49Å; W75-L101 HydrophobicContact CZ3-CD2 4.23Å; Y97-L101 PolarHBondContact O-N 3.39Å; V98-L101 WeakPolarHBondContact O-CG 3.48Å; V98-L101 PolarHBondContact O-N 3.44Å; L101-W103 PolarHBondContact O-NE1 2.95Å; L101-V110 HydrophobicContact CB-CG1 4.36Å; L101-V110 HydrophobicContact CD1-CG2 4.12Å; L101-V110 HydrophobicContact CD2-CG1 4.38Å | ||
| 102 | R | 92.2 | Very high | 83.8 | Confident | 117 Ų | 117 | 53.4 Ų | 53.4 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | trans | -86.9 | 141 | 171.3 | -58.8 | -56.6 | -169.6 | 176.5 | 0.4 | 107.9 | N100 D111 S115 E118 | N100-R102 PolarHBondContact O-N 3.24Å; R102-D111 HydrophobicContact CB-CB 4.37Å; R102-D111 PolarHBondContact O-N 2.76Å; R102-S115 PolarHBondContact N-OG 3.01Å; R102-S115 PolarHBondContact O-OG 2.93Å; R102-E118 HydrophobicContact CG-CB 4.27Å; R102-E118 IonicContact CZ-OE2 3.42Å; R102-E118 IonicContact NE-OE2 3.37Å; R102-E118 PolarHBondContact NE-OE2 2.84Å; R102-E118 IonicContact NH2-OE1 3.26Å; R102-E118 PolarHBondContact NH2-OE1 3.46Å; R102-E118 IonicContact NH2-OE2 2.68Å; R102-E118 PolarHBondContact NH2-OE2 3.3Å | ||
| 103 | W | 88.9 | Confident | 84.7 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 145.8 | -175.9 | -57.6 | 77.6 | 0 | 0 | 0 | 109.2 | K22 V25 A68 V72 L101 V108 E109 V110 | K22-W103 HydrophobicContact CD-CB 4.16Å; K22-W103 HydrophobicContact CD-CD2 3.95Å; K22-W103 HydrophobicContact CD-CG 3.77Å; K22-W103 VanDerWaalsContact CE-CB 3.42Å; K22-W103 VanDerWaalsContact CE-CG 3.42Å; K22-W103 HydrophobicContact CG-CD2 3.9Å; K22-W103 HydrophobicContact CG-CE3 4.28Å; K22-W103 HydrophobicContact CG-CG 4.25Å; K22-W103 HydrophobicContact CG-CZ2 4.2Å; K22-W103 VanDerWaalsContact NZ-CB 3.3Å; V25-W103 HydrophobicContact CG1-CH2 4.45Å; A68-W103 HydrophobicContact CB-CH2 4.4Å; A68-W103 HydrophobicContact CB-CZ3 4.45Å; V72-W103 HydrophobicContact CG2-CH2 3.51Å; V72-W103 HydrophobicContact CG2-CZ2 3.9Å; V72-W103 HydrophobicContact CG2-CZ3 4.5Å; L101-W103 PolarHBondContact O-NE1 2.95Å; W103-V108 VanDerWaalsContact CZ3-O 3.25Å; W103-V108 WeakPolarHBondContact CZ3-O 3.49Å; W103-E109 WeakPolarHBondContact CA-O 3.01Å; W103-V110 HydrophobicContact CD2-CG2 4.33Å; W103-V110 HydrophobicContact CE3-CG2 4Å; W103-V110 HydrophobicContact CH2-CG2 4.16Å; W103-V110 HydrophobicContact CZ2-CG2 4.43Å; W103-V110 HydrophobicContact CZ3-CG2 3.91Å |
| 104 | H | 86.3 | Confident | 85.4 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | trans | -62.3 | 140.6 | 169.1 | -68.6 | -51.3 | 0 | 0 | 0 | 110.3 | K22 S106 F107 E109 D111 | K22-H104 PolarHBondContact NZ-O 3.2Å; H104-S106 PolarHBondContact O-N 3.23Å; H104-S106 VanDerWaalsContact O-N 3.16Å; H104-F107 HydrophobicContact CB-CB 4.42Å; H104-F107 PolarHBondContact O-N 3.1Å; H104-E109 PolarHBondContact N-O 3.34Å; H104-D111 IonicContact CE1-OD1 2.86Å; H104-D111 IonicContact CE1-OD2 3.74Å; H104-D111 PolarHBondContact CE1-OD2 3.5Å; H104-D111 VanDerWaalsContact CE1-OD2 3.31Å; H104-D111 IonicContact ND1-OD2 2.83Å | ||
| 105 | S | 70.8 | Confident | 85.9 | Confident | 115 Ų | 115 | 52.1 Ų | 52.1 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.1 | -165.7 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 106 | S | 63.9 | Low | 86.5 | Confident | 84 Ų | 84 | 51 Ų | 51 | 59% | 0.587 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 0.8 | -177.3 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | H104 | H104-S106 PolarHBondContact O-N 3.23Å; H104-S106 VanDerWaalsContact O-N 3.16Å |
| 107 | F | 70.5 | Confident | 87.1 | Confident | 116 Ų | 116 | 49.2 Ų | 49.2 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -133.6 | 168 | -168.9 | -68.2 | -75.9 | 0 | 0 | 0 | 113.5 | K22 H104 E109 | K22-F107 PolarHBondContact NZ-O 3.46Å; H104-F107 HydrophobicContact CB-CB 4.42Å; H104-F107 PolarHBondContact O-N 3.1Å; F107-E109 HydrophobicContact CB-CB 4.19Å; F107-E109 HydrophobicContact CB-CG 4.24Å |
| 108 | V | 79.1 | Confident | 87.5 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -88.5 | 11.3 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | T64 R67 A68 W103 | T64-V108 HydrophobicContact CG2-CG2 3.46Å; T64-V108 VanDerWaalsContact CG2-CG2 3.46Å; R67-V108 HydrophobicContact CB-CG1 4.13Å; A68-V108 HydrophobicContact CB-CG1 3.21Å; W103-V108 VanDerWaalsContact CZ3-O 3.25Å; W103-V108 WeakPolarHBondContact CZ3-O 3.49Å |
| 109 | E | 85.7 | Confident | 87.9 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | trans | -92.1 | 135.3 | -178.9 | -65.7 | 178 | 176.8 | 0 | 0 | 110.3 | W103 H104 F107 | W103-E109 WeakPolarHBondContact CA-O 3.01Å; H104-E109 PolarHBondContact N-O 3.34Å; F107-E109 HydrophobicContact CB-CB 4.19Å; F107-E109 HydrophobicContact CB-CG 4.24Å | ||
| 110 | V | 89.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -75.3 | 129.9 | 173.3 | 173.2 | 0 | 0 | 0 | 0 | 108.2 | E71 V72 W75 L101 W103 D112 S115 | E71-V110 HydrophobicContact CG-CB 4.19Å; E71-V110 HydrophobicContact CG-CG2 3.85Å; V72-V110 HydrophobicContact CG2-CG2 4.47Å; W75-V110 HydrophobicContact CG-CG1 4.39Å; L101-V110 HydrophobicContact CB-CG1 4.36Å; L101-V110 HydrophobicContact CD1-CG2 4.12Å; L101-V110 HydrophobicContact CD2-CG1 4.38Å; W103-V110 HydrophobicContact CD2-CG2 4.33Å; W103-V110 HydrophobicContact CE3-CG2 4Å; W103-V110 HydrophobicContact CH2-CG2 4.16Å; W103-V110 HydrophobicContact CZ2-CG2 4.43Å; W103-V110 HydrophobicContact CZ3-CG2 3.91Å; V110-D112 PolarHBondContact O-N 3.17Å; V110-D112 VanDerWaalsContact O-N 3.13Å; V110-S115 WeakPolarHBondContact CG1-OG 3.32Å |
| 111 | D | 92.3 | Very high | 88.5 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | trans | -79.1 | 93.7 | 168.7 | -174.8 | -28.8 | 0 | 0 | 0 | 107.3 | R102 H104 L113 S114 S115 | R102-D111 HydrophobicContact CB-CB 4.37Å; R102-D111 PolarHBondContact O-N 2.76Å; H104-D111 IonicContact CE1-OD1 2.86Å; H104-D111 IonicContact CE1-OD2 3.74Å; H104-D111 PolarHBondContact CE1-OD2 3.5Å; H104-D111 VanDerWaalsContact CE1-OD2 3.31Å; H104-D111 IonicContact ND1-OD2 2.83Å; D111-L113 VanDerWaalsContact C-N 3.34Å; D111-L113 PolarHBondContact O-N 3.43Å; D111-L113 PolarHBondContact OD1-N 3.42Å; D111-S114 PolarHBondContact O-N 3.12Å; D111-S114 WeakPolarHBondContact OD1-CB 3.28Å; D111-S114 PolarHBondContact OD1-N 2.92Å; D111-S114 PolarHBondContact OD1-OG 3.06Å; D111-S114 WeakPolarHBondContact OD2-CB 3.14Å; D111-S114 PolarHBondContact OD2-OG 2.89Å; D111-S115 WeakPolarHBondContact O-CB 3.32Å; D111-S115 PolarHBondContact O-N 2.98Å; D111-S115 PolarHBondContact O-OG 3.15Å | ||
| 112 | D | 92.7 | Very high | 88.6 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 15% | 0.15 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | -173.6 | -88.3 | 2.1 | 0 | 0 | 0 | 112 | R78 V110 A116 Y137 | R78-D112 IonicContact CZ-OD1 3.94Å; R78-D112 IonicContact CZ-OD2 3.85Å; R78-D112 IonicContact NE-OD2 3.99Å; R78-D112 PolarHBondContact NE-OD2 2.97Å; R78-D112 IonicContact NH2-OD1 3.83Å; R78-D112 PolarHBondContact NH2-OD1 3.44Å; R78-D112 IonicContact NH2-OD2 2.78Å; R78-D112 PolarHBondContact NH2-OD2 3.11Å; V110-D112 PolarHBondContact O-N 3.17Å; V110-D112 VanDerWaalsContact O-N 3.13Å; D112-A116 WeakPolarHBondContact O-CB 3.39Å; D112-A116 PolarHBondContact O-N 2.92Å; D112-Y137 HydrophobicContact CB-CE1 3.73Å; D112-Y137 WeakPolarHBondContact CB-OH 3.4Å |
| 113 | L | 94.5 | Very high | 88.5 | Confident | 55 Ų | 55 | 48 Ų | 48 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.6 | -52 | 179.6 | 177.9 | 61.7 | 0 | 0 | 0 | 111.3 | D111 S115 A116 E117 Y137 E203 | D111-L113 VanDerWaalsContact C-N 3.34Å; D111-L113 PolarHBondContact O-N 3.43Å; D111-L113 PolarHBondContact OD1-N 3.42Å; L113-S115 PolarHBondContact O-N 3Å; L113-A116 WeakPolarHBondContact O-CB 3.4Å; L113-A116 PolarHBondContact O-N 3.09Å; L113-E117 HydrophobicContact CD1-CG 4.42Å; L113-E117 WeakPolarHBondContact O-CG 3.28Å; L113-E117 PolarHBondContact O-N 3.38Å; L113-Y137 HydrophobicContact CD1-CD1 4.28Å; L113-Y137 HydrophobicContact CD1-CG 4.46Å; L113-E203 HydrophobicContact CB-CG 4.36Å; L113-E203 HydrophobicContact CD1-CG 4.48Å |
| 114 | S | 95 | Very high | 88.6 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | D111 E118 | D111-S114 PolarHBondContact O-N 3.12Å; D111-S114 WeakPolarHBondContact OD1-CB 3.28Å; D111-S114 PolarHBondContact OD1-N 2.92Å; D111-S114 PolarHBondContact OD1-OG 3.06Å; D111-S114 WeakPolarHBondContact OD2-CB 3.14Å; D111-S114 PolarHBondContact OD2-OG 2.89Å; S114-E118 WeakPolarHBondContact O-CB 3.22Å; S114-E118 PolarHBondContact O-N 3.04Å |
| 115 | S | 94.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -46.8 | 172.8 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | R102 V110 D111 L113 E117 E118 L119 | R102-S115 PolarHBondContact N-OG 3.01Å; R102-S115 PolarHBondContact O-OG 2.93Å; V110-S115 WeakPolarHBondContact CG1-OG 3.32Å; D111-S115 WeakPolarHBondContact O-CB 3.32Å; D111-S115 PolarHBondContact O-N 2.98Å; D111-S115 PolarHBondContact O-OG 3.15Å; L113-S115 PolarHBondContact O-N 3Å; S115-E117 VanDerWaalsContact C-N 3.32Å; S115-E117 PolarHBondContact O-N 3.34Å; S115-E118 WeakPolarHBondContact O-CB 3.5Å; S115-E118 PolarHBondContact O-N 3.27Å; S115-L119 VanDerWaalsContact O-CG 3.24Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 3.2Å |
| 116 | A | 95.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D112 L113 F120 L133 Y137 M139 | D112-A116 WeakPolarHBondContact O-CB 3.39Å; D112-A116 PolarHBondContact O-N 2.92Å; L113-A116 WeakPolarHBondContact O-CB 3.4Å; L113-A116 PolarHBondContact O-N 3.09Å; A116-F120 WeakPolarHBondContact O-CB 3.32Å; A116-F120 PolarHBondContact O-N 2.78Å; A116-L133 HydrophobicContact CB-CD2 4.26Å; A116-Y137 HydrophobicContact CB-CD1 4.23Å; A116-Y137 HydrophobicContact CB-CD2 3.17Å; A116-Y137 HydrophobicContact CB-CE1 4.4Å; A116-Y137 HydrophobicContact CB-CE2 3.35Å; A116-Y137 HydrophobicContact CB-CG 3.64Å; A116-M139 HydrophobicContact CB-CE 3.67Å |
| 117 | E | 96.1 | Very high | 91 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 174.1 | -70.1 | -174.6 | 143.5 | 0 | 0 | 112 | L113 S115 F120 A121 M139 | L113-E117 HydrophobicContact CD1-CG 4.42Å; L113-E117 WeakPolarHBondContact O-CG 3.28Å; L113-E117 PolarHBondContact O-N 3.38Å; S115-E117 VanDerWaalsContact C-N 3.32Å; S115-E117 PolarHBondContact O-N 3.34Å; E117-F120 WeakPolarHBondContact O-CB 3.43Å; E117-F120 PolarHBondContact O-N 3.3Å; E117-A121 PolarHBondContact O-N 2.9Å; E117-M139 HydrophobicContact CG-SD 3.94Å |
| 118 | E | 95.6 | Very high | 92.1 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -50.4 | 174.3 | -178.1 | 68.2 | -169.8 | 0 | 0 | 111 | N100 R102 S114 S115 F120 A121 L122 | N100-E118 HydrophobicContact CB-CG 4.46Å; R102-E118 HydrophobicContact CG-CB 4.27Å; R102-E118 IonicContact CZ-OE2 3.42Å; R102-E118 IonicContact NE-OE2 3.37Å; R102-E118 PolarHBondContact NE-OE2 2.84Å; R102-E118 IonicContact NH2-OE1 3.26Å; R102-E118 PolarHBondContact NH2-OE1 3.46Å; R102-E118 IonicContact NH2-OE2 2.68Å; R102-E118 PolarHBondContact NH2-OE2 3.3Å; S114-E118 WeakPolarHBondContact O-CB 3.22Å; S114-E118 PolarHBondContact O-N 3.04Å; S115-E118 WeakPolarHBondContact O-CB 3.5Å; S115-E118 PolarHBondContact O-N 3.27Å; E118-F120 VanDerWaalsContact C-N 3.3Å; E118-F120 PolarHBondContact O-N 3.42Å; E118-A121 PolarHBondContact O-N 3.34Å; E118-A121 VanDerWaalsContact O-N 3.17Å; E118-L122 HydrophobicContact CG-CD1 3.87Å; E118-L122 HydrophobicContact CG-CG 4.46Å; E118-L122 WeakPolarHBondContact O-CG 3.47Å; E118-L122 PolarHBondContact O-N 3.11Å |
| 119 | L | 94.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.1 | -33.8 | 179.5 | -62.1 | -172.2 | 0 | 0 | 0 | 112.1 | W75 Y97 N100 S115 A121 L122 N123 L133 | W75-L119 HydrophobicContact CH2-CD1 4.18Å; W75-L119 HydrophobicContact CZ2-CD1 3.86Å; Y97-L119 HydrophobicContact CD1-CD2 3.62Å; Y97-L119 HydrophobicContact CD2-CD1 4.37Å; Y97-L119 HydrophobicContact CE1-CD2 4.48Å; Y97-L119 HydrophobicContact CG-CD1 4.15Å; Y97-L119 HydrophobicContact CG-CD2 3.68Å; N100-L119 HydrophobicContact CB-CD2 3.72Å; S115-L119 VanDerWaalsContact O-CG 3.24Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 3.2Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-L122 HydrophobicContact CD2-CD1 4.36Å; L119-N123 WeakPolarHBondContact O-CB 2.95Å; L119-N123 PolarHBondContact O-N 3.45Å; L119-N123 PolarHBondContact O-ND2 2.89Å; L119-L133 HydrophobicContact CB-CD1 3.69Å |
| 120 | F | 95.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 173.8 | -177.3 | -84.3 | 0 | 0 | 0 | 111.4 | A116 E117 E118 R130 A134 R142 F146 | A116-F120 WeakPolarHBondContact O-CB 3.32Å; A116-F120 PolarHBondContact O-N 2.78Å; E117-F120 WeakPolarHBondContact O-CB 3.43Å; E117-F120 PolarHBondContact O-N 3.3Å; E118-F120 VanDerWaalsContact C-N 3.3Å; E118-F120 PolarHBondContact O-N 3.42Å; F120-R130 HydrophobicContact CD2-CB 3.67Å; F120-R130 HydrophobicContact CD2-CG 4.04Å; F120-R130 VanDerWaalsContact CD2-O 3.27Å; F120-R130 WeakPolarHBondContact CD2-O 3.38Å; F120-R130 HydrophobicContact CE2-CB 3.56Å; F120-R130 HydrophobicContact CE2-CG 4.22Å; F120-R130 WeakPolarHBondContact CE2-O 3.47Å; F120-R130 HydrophobicContact CG-CB 4.45Å; F120-R130 HydrophobicContact CG-CG 4.34Å; F120-R130 HydrophobicContact CZ-CB 4.27Å; F120-R130 WeakPolarHBondContact O-CD 3.3Å; F120-R130 WeakPolarHBondContact O-CG 3.49Å; F120-R130 PolarHBondContact O-NE 2.78Å; F120-A134 HydrophobicContact CD2-CB 4.43Å; F120-A134 HydrophobicContact CE2-CB 4.07Å; F120-R142 HydrophobicContact CE1-CB 4.11Å; F120-R142 HydrophobicContact CE1-CG 4.24Å; F120-R142 HydrophobicContact CE2-CB 4.02Å; F120-R142 HydrophobicContact CZ-CB 3.65Å; F120-R142 HydrophobicContact CZ-CG 4.27Å; F120-F146 HydrophobicContact CE2-CE2 4.46Å; F120-F146 HydrophobicContact CE2-CZ 4.2Å; F120-F146 HydrophobicContact CZ-CZ 4.49Å |
| 121 | A | 94.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 49% | 0.488 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.1 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E117 E118 L119 N123 | E117-A121 PolarHBondContact O-N 2.9Å; E118-A121 PolarHBondContact O-N 3.34Å; E118-A121 VanDerWaalsContact O-N 3.17Å; L119-A121 VanDerWaalsContact C-N 3.32Å; A121-N123 VanDerWaalsContact C-N 3.26Å; A121-N123 PolarHBondContact O-N 3.27Å |
| 122 | L | 93.7 | Very high | 93.5 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 45% | 0.45 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.9 | -22.5 | -178.3 | -71 | 171.3 | 0 | 0 | 0 | 114.1 | N100 E118 L119 | N100-L122 HydrophobicContact CB-CD1 3.96Å; N100-L122 VanDerWaalsContact ND2-CD1 3.29Å; N100-L122 WeakPolarHBondContact ND2-CD1 3.48Å; E118-L122 HydrophobicContact CG-CD1 3.87Å; E118-L122 HydrophobicContact CG-CG 4.46Å; E118-L122 WeakPolarHBondContact O-CG 3.47Å; E118-L122 PolarHBondContact O-N 3.11Å; L119-L122 HydrophobicContact CD2-CD1 4.36Å |
| 123 | N | 91 | Very high | 93.6 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 44.2 | -168.3 | -71.9 | -74.1 | 0 | 0 | 0 | 113.7 | Y97 L119 A121 N125 W126 L129 R130 | Y97-N123 VanDerWaalsContact CE1-ND2 3.34Å; Y97-N123 WeakPolarHBondContact CE1-ND2 3.31Å; Y97-N123 PolarHBondContact OH-ND2 3.23Å; Y97-N123 PolarHBondContact OH-OD1 2.84Å; L119-N123 WeakPolarHBondContact O-CB 2.95Å; L119-N123 PolarHBondContact O-N 3.45Å; L119-N123 PolarHBondContact O-ND2 2.89Å; A121-N123 VanDerWaalsContact C-N 3.26Å; A121-N123 PolarHBondContact O-N 3.27Å; N123-N125 PolarHBondContact O-N 3.35Å; N123-N125 VanDerWaalsContact O-N 3.16Å; N123-W126 HydrophobicContact CB-CB 4.29Å; N123-W126 PolarHBondContact O-N 3.47Å; N123-L129 HydrophobicContact CB-CD2 4.22Å; N123-R130 HydrophobicContact CB-CG 4.39Å; N123-R130 WeakPolarHBondContact O-CD 3.45Å; N123-R130 WeakPolarHBondContact O-CG 3.18Å |
| 124 | E | 89.4 | Confident | 93.7 | Very high | 137 Ų | 137 | 37.8 Ų | 37.8 | 64% | 0.64 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -38.9 | 178.7 | -64.3 | -167.4 | 156 | 0 | 0 | 112.9 | W126 | E124-W126 PolarHBondContact O-N 3.43Š|
| 125 | N | 88.7 | Confident | 93.8 | Very high | 167 Ų | 167 | 35.8 Ų | 35.8 | 89% | 0.893 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.7 | 179.7 | -65.2 | -34.5 | 0 | 0 | 0 | 114.4 | N123 P127 | N123-N125 PolarHBondContact O-N 3.35Å; N123-N125 VanDerWaalsContact O-N 3.16Å; N125-P127 VanDerWaalsContact C-CD 3.45Å; N125-P127 WeakPolarHBondContact O-CD 3.29Å |
| 126 | W | 91.1 | Very high | 94 | Very high | 55 Ų | 55 | 35.8 Ų | 35.8 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | trans | -123.9 | 72.8 | 175.7 | -162.5 | -7.3 | 0 | 0 | 0 | 111.9 | H93 N123 E124 Q128 L129 R130 | H93-W126 HydrophobicContact CB-CH2 4.01Å; H93-W126 HydrophobicContact CB-CZ3 4.2Å; N123-W126 HydrophobicContact CB-CB 4.29Å; N123-W126 PolarHBondContact O-N 3.47Å; E124-W126 PolarHBondContact O-N 3.43Å; W126-Q128 PolarHBondContact O-N 2.93Å; W126-Q128 VanDerWaalsContact O-N 3.11Å; W126-L129 HydrophobicContact CB-CB 4.2Å; W126-L129 HydrophobicContact CD2-CB 3.63Å; W126-L129 HydrophobicContact CD2-CD2 4.05Å; W126-L129 HydrophobicContact CD2-CG 4.49Å; W126-L129 HydrophobicContact CE3-CB 4.13Å; W126-L129 HydrophobicContact CE3-CD2 3.64Å; W126-L129 HydrophobicContact CG-CB 3.64Å; W126-L129 HydrophobicContact CZ3-CD2 3.97Å; W126-L129 PolarHBondContact O-N 3.42Å; W126-R130 PolarHBondContact O-N 2.91Å; W126-R130 VanDerWaalsContact O-N 3.16Å | ||
| 127 | P | 92.7 | Very high | 94 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.5 | -34.1 | -176.5 | -29.4 | 38.3 | 0 | 0 | 0 | 114 | N125 R130 F131 F146 W150 F154 | N125-P127 VanDerWaalsContact C-CD 3.45Å; N125-P127 WeakPolarHBondContact O-CD 3.29Å; P127-R130 PolarHBondContact O-N 3.32Å; P127-F131 WeakPolarHBondContact O-CB 3.39Å; P127-F131 PolarHBondContact O-N 3.19Å; P127-F146 HydrophobicContact CB-CE1 4.16Å; P127-F146 WeakPolarHBondContact O-CE1 3.17Å; P127-W150 HydrophobicContact CB-CD2 4.07Å; P127-W150 HydrophobicContact CB-CE3 3.95Å; P127-W150 HydrophobicContact CB-CH2 3.94Å; P127-W150 HydrophobicContact CB-CZ2 4.05Å; P127-W150 HydrophobicContact CB-CZ3 3.88Å; P127-W150 HydrophobicContact CG-CH2 3.65Å; P127-W150 HydrophobicContact CG-CZ2 3.6Å; P127-W150 HydrophobicContact CG-CZ3 4.13Å; P127-F154 HydrophobicContact CB-CZ 4.13Å |
| 128 | Q | 92.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 176.6 | -164.1 | -168.2 | -60.2 | 0 | 0 | 111.6 | M87 W126 R130 F131 Q132 F154 L158 | M87-Q128 PolarHBondContact SD-NE2 3.24Å; W126-Q128 PolarHBondContact O-N 2.93Å; W126-Q128 VanDerWaalsContact O-N 3.11Å; Q128-R130 VanDerWaalsContact C-N 3.33Å; Q128-R130 PolarHBondContact O-N 3.35Å; Q128-F131 PolarHBondContact O-N 3.29Å; Q128-Q132 HydrophobicContact CG-CG 4.49Å; Q128-Q132 WeakPolarHBondContact O-CG 3.42Å; Q128-Q132 PolarHBondContact O-N 3.43Å; Q128-Q132 PolarHBondContact O-OE1 3.1Å; Q128-F154 HydrophobicContact CB-CE1 4.13Å; Q128-F154 HydrophobicContact CG-CD1 4.49Å; Q128-F154 HydrophobicContact CG-CE1 4.36Å; Q128-L158 HydrophobicContact CG-CD1 4.28Å; Q128-L158 HydrophobicContact CG-CD2 4.33Å |
| 129 | L | 91.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 178.3 | 177.4 | 61.1 | 0 | 0 | 0 | 110.9 | F83 Y97 N123 W126 F131 Q132 L133 | F83-L129 HydrophobicContact CZ-CD1 4.46Å; Y97-L129 HydrophobicContact CE2-CD2 3.85Å; N123-L129 HydrophobicContact CB-CD2 4.22Å; W126-L129 HydrophobicContact CB-CB 4.2Å; W126-L129 HydrophobicContact CD2-CB 3.63Å; W126-L129 HydrophobicContact CD2-CD2 4.05Å; W126-L129 HydrophobicContact CD2-CG 4.49Å; W126-L129 HydrophobicContact CE3-CB 4.13Å; W126-L129 HydrophobicContact CE3-CD2 3.64Å; W126-L129 HydrophobicContact CG-CB 3.64Å; W126-L129 HydrophobicContact CZ3-CD2 3.97Å; W126-L129 PolarHBondContact O-N 3.42Å; L129-F131 VanDerWaalsContact C-N 3.34Å; L129-F131 PolarHBondContact O-N 3.36Å; L129-Q132 PolarHBondContact O-N 3.5Å; L129-L133 HydrophobicContact CD1-CD1 4.28Å; L129-L133 HydrophobicContact CD1-CG 4.21Å; L129-L133 HydrophobicContact CG-CD1 4.13Å; L129-L133 HydrophobicContact CG-CG 4.5Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.35Å |
| 130 | R | 94.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 34.6 Ų | 34.6 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.5 | -46.8 | 174.7 | -71.1 | -177.4 | 67.6 | -173.8 | 10.3 | 111.9 | F120 N123 W126 P127 Q128 L133 A134 F146 | F120-R130 HydrophobicContact CD2-CB 3.67Å; F120-R130 HydrophobicContact CD2-CG 4.04Å; F120-R130 VanDerWaalsContact CD2-O 3.27Å; F120-R130 WeakPolarHBondContact CD2-O 3.38Å; F120-R130 HydrophobicContact CE2-CB 3.56Å; F120-R130 HydrophobicContact CE2-CG 4.22Å; F120-R130 WeakPolarHBondContact CE2-O 3.47Å; F120-R130 HydrophobicContact CG-CB 4.45Å; F120-R130 HydrophobicContact CG-CG 4.34Å; F120-R130 HydrophobicContact CZ-CB 4.27Å; F120-R130 WeakPolarHBondContact O-CD 3.3Å; F120-R130 WeakPolarHBondContact O-CG 3.49Å; F120-R130 PolarHBondContact O-NE 2.78Å; N123-R130 HydrophobicContact CB-CG 4.39Å; N123-R130 WeakPolarHBondContact O-CD 3.45Å; N123-R130 WeakPolarHBondContact O-CG 3.18Å; W126-R130 PolarHBondContact O-N 2.91Å; W126-R130 VanDerWaalsContact O-N 3.16Å; P127-R130 PolarHBondContact O-N 3.32Å; Q128-R130 VanDerWaalsContact C-N 3.33Å; Q128-R130 PolarHBondContact O-N 3.35Å; R130-L133 PolarHBondContact O-N 3.35Å; R130-A134 WeakPolarHBondContact O-CB 3.43Å; R130-A134 PolarHBondContact O-N 3.33Å; R130-F146 HydrophobicContact CB-CE1 4.28Å; R130-F146 HydrophobicContact CB-CZ 3.8Å |
| 131 | F | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 177 | -176.7 | -103.5 | 0 | 0 | 0 | 111.8 | P127 Q128 L129 A134 C135 F146 L151 F154 L158 Y164 L168 L171 | P127-F131 WeakPolarHBondContact O-CB 3.39Å; P127-F131 PolarHBondContact O-N 3.19Å; Q128-F131 PolarHBondContact O-N 3.29Å; L129-F131 VanDerWaalsContact C-N 3.34Å; L129-F131 PolarHBondContact O-N 3.36Å; F131-A134 PolarHBondContact O-N 3.18Å; F131-C135 VanDerWaalsContact CE1-SG 3.56Å; F131-C135 WeakPolarHBondContact O-CB 3.38Å; F131-C135 PolarHBondContact O-N 3.43Å; F131-C135 PolarHBondContact O-SG 3.11Å; F131-F146 HydrophobicContact CB-CE1 4.21Å; F131-F146 HydrophobicContact CB-CE2 3.99Å; F131-F146 HydrophobicContact CB-CZ 3.81Å; F131-F146 AromaticContact CD2-CD2 3.74Å; F131-F146 HydrophobicContact CD2-CD2 3.74Å; F131-F146 AromaticContact CD2-CE2 3.82Å; F131-F146 HydrophobicContact CD2-CE2 3.82Å; F131-F146 HydrophobicContact CD2-CG 4.34Å; F131-F146 HydrophobicContact CD2-CZ 4.46Å; F131-F146 HydrophobicContact CG-CE2 4.42Å; F131-L151 HydrophobicContact CE2-CD2 4.12Å; F131-F154 HydrophobicContact CB-CD2 4Å; F131-F154 HydrophobicContact CB-CE1 4.32Å; F131-F154 HydrophobicContact CB-CE2 3.51Å; F131-F154 HydrophobicContact CB-CZ 3.71Å; F131-F154 HydrophobicContact CD1-CB 4.27Å; F131-F154 AromaticContact CD1-CD2 3.7Å; F131-F154 HydrophobicContact CD1-CD2 3.7Å; F131-F154 HydrophobicContact CD1-CE2 4.14Å; F131-F154 AromaticContact CD1-CG 3.92Å; F131-F154 HydrophobicContact CD1-CG 3.92Å; F131-F154 AromaticContact CD2-CD2 3.64Å; F131-F154 HydrophobicContact CD2-CD2 3.64Å; F131-F154 AromaticContact CD2-CE2 3.65Å; F131-F154 HydrophobicContact CD2-CE2 3.65Å; F131-F154 HydrophobicContact CE1-CB 4.13Å; F131-F154 HydrophobicContact CE1-CD2 4.04Å; F131-F154 HydrophobicContact CE1-CG 4.25Å; F131-F154 AromaticContact CE2-CD2 3.99Å; F131-F154 HydrophobicContact CE2-CD2 3.99Å; F131-F154 HydrophobicContact CE2-CE2 4.41Å; F131-F154 AromaticContact CG-CD2 3.48Å; F131-F154 HydrophobicContact CG-CD2 3.48Å; F131-F154 VanDerWaalsContact CG-CD2 3.48Å; F131-F154 AromaticContact CG-CE2 3.49Å; F131-F154 HydrophobicContact CG-CE2 3.49Å; F131-F154 VanDerWaalsContact CG-CE2 3.49Å; F131-F154 HydrophobicContact CG-CG 4.13Å; F131-F154 HydrophobicContact CG-CZ 4.15Å; F131-F154 HydrophobicContact CZ-CD2 4.18Å; F131-L158 HydrophobicContact CD1-CD1 3.75Å; F131-L158 HydrophobicContact CE1-CD1 4.06Å; F131-Y164 HydrophobicContact CE1-CD1 4.17Å; F131-L168 HydrophobicContact CZ-CD2 4.04Å; F131-L168 HydrophobicContact CZ-CG 4.3Å; F131-L171 HydrophobicContact CE2-CD1 4.37Å |
| 132 | Q | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 178.9 | -67.4 | 177.5 | -99.1 | 0 | 0 | 112.1 | L82 Q128 L129 C135 A136 L158 Y164 | L82-Q132 PolarHBondContact O-NE2 2.84Å; Q128-Q132 HydrophobicContact CG-CG 4.49Å; Q128-Q132 WeakPolarHBondContact O-CG 3.42Å; Q128-Q132 PolarHBondContact O-N 3.43Å; Q128-Q132 PolarHBondContact O-OE1 3.1Å; L129-Q132 PolarHBondContact O-N 3.5Å; Q132-C135 PolarHBondContact O-N 3.5Å; Q132-A136 WeakPolarHBondContact O-CB 3.28Å; Q132-A136 PolarHBondContact O-N 2.95Å; Q132-L158 HydrophobicContact CG-CD1 4.26Å; Q132-Y164 HydrophobicContact CB-CE1 4.11Å; Q132-Y164 WeakPolarHBondContact CB-OH 3.35Å; Q132-Y164 HydrophobicContact CG-CE1 3.83Å; Q132-Y164 HydrophobicContact CG-CE2 4.39Å; Q132-Y164 VanDerWaalsContact CG-OH 3.22Å; Q132-Y164 WeakPolarHBondContact CG-OH 3.35Å; Q132-Y164 PolarHBondContact NE2-OH 3.03Å |
| 133 | L | 95.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 174.4 | -69.6 | 171.1 | 0 | 0 | 0 | 111.3 | L82 A116 L119 L129 R130 C135 A136 Y137 M139 | L82-L133 HydrophobicContact CD1-CD2 4.49Å; A116-L133 HydrophobicContact CB-CD2 4.26Å; L119-L133 HydrophobicContact CB-CD1 3.69Å; L129-L133 HydrophobicContact CD1-CD1 4.28Å; L129-L133 HydrophobicContact CD1-CG 4.21Å; L129-L133 HydrophobicContact CG-CD1 4.13Å; L129-L133 HydrophobicContact CG-CG 4.5Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.35Å; R130-L133 PolarHBondContact O-N 3.35Å; L133-C135 PolarHBondContact O-N 2.93Å; L133-A136 PolarHBondContact O-N 3.19Å; L133-A136 VanDerWaalsContact O-N 3.14Å; L133-Y137 HydrophobicContact CD2-CE2 4.31Å; L133-Y137 WeakPolarHBondContact O-CD2 3.15Å; L133-Y137 PolarHBondContact O-N 3.32Å; L133-M139 HydrophobicContact CB-CE 4.14Å |
| 134 | A | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.7 | -39 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | F120 R130 F131 A138 M139 R142 M143 | F120-A134 HydrophobicContact CD2-CB 4.43Å; F120-A134 HydrophobicContact CE2-CB 4.07Å; R130-A134 WeakPolarHBondContact O-CB 3.43Å; R130-A134 PolarHBondContact O-N 3.33Å; F131-A134 PolarHBondContact O-N 3.18Å; A134-A138 PolarHBondContact O-N 3.05Å; A134-M139 HydrophobicContact CB-CB 4.22Å; A134-M139 PolarHBondContact O-N 2.96Å; A134-R142 HydrophobicContact CB-CB 4.49Å; A134-M143 HydrophobicContact CB-CE 4.23Å; A134-M143 HydrophobicContact CB-CG 4.18Å; A134-M143 WeakPolarHBondContact O-CE 3.32Å |
| 135 | C | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -50.8 | 174.3 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | F131 Q132 L133 Y137 A138 M143 L163 Y164 W167 | F131-C135 VanDerWaalsContact CE1-SG 3.56Å; F131-C135 WeakPolarHBondContact O-CB 3.38Å; F131-C135 PolarHBondContact O-N 3.43Å; F131-C135 PolarHBondContact O-SG 3.11Å; Q132-C135 PolarHBondContact O-N 3.5Å; L133-C135 PolarHBondContact O-N 2.93Å; C135-Y137 VanDerWaalsContact C-N 3.27Å; C135-Y137 PolarHBondContact O-N 3.36Å; C135-A138 PolarHBondContact O-N 3.34Å; C135-M143 VanDerWaalsContact CA-CE 3.49Å; C135-M143 HydrophobicContact CB-CE 4.19Å; C135-L163 HydrophobicContact CB-CD1 3.97Å; C135-L163 HydrophobicContact CB-CD2 3.83Å; C135-L163 HydrophobicContact CB-CG 3.74Å; C135-Y164 HydrophobicContact CB-CD1 4.15Å; C135-Y164 HydrophobicContact CB-CE1 4.07Å; C135-W167 VanDerWaalsContact CA-NE1 3.34Å; C135-W167 HydrophobicContact CB-CG 4.09Å; C135-W167 PolarHBondContact O-NE1 3.35Å; C135-W167 VanDerWaalsContact SG-CD1 3.51Å |
| 136 | A | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -33.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L82 Q132 L133 L163 F201 L204 | L82-A136 HydrophobicContact CD1-CB 4.28Å; L82-A136 HydrophobicContact CD2-CB 3.59Å; Q132-A136 WeakPolarHBondContact O-CB 3.28Å; Q132-A136 PolarHBondContact O-N 2.95Å; L133-A136 PolarHBondContact O-N 3.19Å; L133-A136 VanDerWaalsContact O-N 3.14Å; A136-L163 HydrophobicContact CB-CD2 4.16Å; A136-F201 HydrophobicContact CB-CD1 3.8Å; A136-F201 HydrophobicContact CB-CE1 3.65Å; A136-F201 HydrophobicContact CB-CZ 4.29Å; A136-L204 WeakPolarHBondContact O-CB 3.22Å |
| 137 | Y | 97.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 13.2 | -176.5 | -71.1 | -75.5 | 0 | 0 | 0 | 113.9 | H79 D112 L113 A116 L133 C135 M139 F201 E203 | H79-Y137 PolarHBondContact CE1-OH 2.92Å; H79-Y137 AromaticContact NE2-CE2 3.45Å; H79-Y137 WeakPolarHBondContact NE2-CE2 3.1Å; H79-Y137 AromaticContact NE2-CZ 3.49Å; H79-Y137 PolarHBondContact NE2-OH 3.29Å; D112-Y137 HydrophobicContact CB-CE1 3.73Å; D112-Y137 WeakPolarHBondContact CB-OH 3.4Å; L113-Y137 HydrophobicContact CD1-CD1 4.28Å; L113-Y137 HydrophobicContact CD1-CG 4.46Å; A116-Y137 HydrophobicContact CB-CD1 4.23Å; A116-Y137 HydrophobicContact CB-CD2 3.17Å; A116-Y137 HydrophobicContact CB-CE1 4.4Å; A116-Y137 HydrophobicContact CB-CE2 3.35Å; A116-Y137 HydrophobicContact CB-CG 3.64Å; L133-Y137 HydrophobicContact CD2-CE2 4.31Å; L133-Y137 WeakPolarHBondContact O-CD2 3.15Å; L133-Y137 PolarHBondContact O-N 3.32Å; C135-Y137 VanDerWaalsContact C-N 3.27Å; C135-Y137 PolarHBondContact O-N 3.36Å; Y137-M139 HydrophobicContact CD2-CE 4.28Å; Y137-M139 HydrophobicContact CG-CE 4.29Å; Y137-M139 PolarHBondContact O-N 3.25Å; Y137-F201 HydrophobicContact CE2-CE1 4.27Å; Y137-E203 HydrophobicContact CD1-CG 4.18Å |
| 138 | A | 96.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 33.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A134 C135 H140 W167 L204 F207 | A134-A138 PolarHBondContact O-N 3.05Å; C135-A138 PolarHBondContact O-N 3.34Å; A138-H140 PolarHBondContact O-N 3.44Å; A138-H140 PolarHBondContact O-ND1 3.38Å; A138-W167 HydrophobicContact CB-CH2 4.26Å; A138-W167 HydrophobicContact CB-CZ2 3.85Å; A138-L204 HydrophobicContact CB-CD1 4.47Å; A138-F207 HydrophobicContact CB-CB 3.64Å; A138-F207 HydrophobicContact CB-CD2 4.36Å; A138-F207 HydrophobicContact CB-CG 3.96Å |
| 139 | M | 95.5 | Very high | 93.7 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | trans | -75.8 | 52.2 | 173.6 | -55.7 | -178.4 | -113.8 | 0 | 0 | 110.6 | A116 E117 L133 A134 Y137 Q141 R142 | A116-M139 HydrophobicContact CB-CE 3.67Å; E117-M139 HydrophobicContact CG-SD 3.94Å; L133-M139 HydrophobicContact CB-CE 4.14Å; A134-M139 HydrophobicContact CB-CB 4.22Å; A134-M139 PolarHBondContact O-N 2.96Å; Y137-M139 HydrophobicContact CD2-CE 4.28Å; Y137-M139 HydrophobicContact CG-CE 4.29Å; Y137-M139 PolarHBondContact O-N 3.25Å; M139-Q141 PolarHBondContact O-N 3.07Å; M139-Q141 VanDerWaalsContact O-N 3.11Å; M139-R142 HydrophobicContact CB-CB 4.12Å; M139-R142 HydrophobicContact CB-CG 3.83Å; M139-R142 WeakPolarHBondContact O-CA 3.49Å; M139-R142 VanDerWaalsContact O-CB 3.27Å; M139-R142 WeakPolarHBondContact O-CB 3.44Å; M139-R142 PolarHBondContact O-N 3.22Å; M139-R142 HydrophobicContact SD-CG 4.35Å | ||
| 140 | H | 90.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56 | -33.3 | -172.4 | 68.8 | -81.4 | 0 | 0 | 0 | 112.9 | A138 R142 M143 W167 | A138-H140 PolarHBondContact O-N 3.44Å; A138-H140 PolarHBondContact O-ND1 3.38Å; H140-R142 PolarHBondContact O-N 3.06Å; H140-M143 VanDerWaalsContact O-CB 3.24Å; H140-M143 WeakPolarHBondContact O-CB 3.42Å; H140-M143 PolarHBondContact O-N 3.45Å; H140-W167 HydrophobicContact CB-CH2 3.71Å; H140-W167 HydrophobicContact CB-CZ3 3.55Å |
| 141 | Q | 90.5 | Very high | 93.8 | Very high | 155 Ų | 155 | 47.9 Ų | 47.9 | 72% | 0.724 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.6 | -35 | 174 | -63.5 | 179.2 | -4.7 | 0 | 0 | 112.4 | M139 M143 A144 | M139-Q141 PolarHBondContact O-N 3.07Å; M139-Q141 VanDerWaalsContact O-N 3.11Å; Q141-M143 PolarHBondContact O-N 2.77Å; Q141-A144 WeakPolarHBondContact O-CB 3.38Å; Q141-A144 PolarHBondContact O-N 3.31Å |
| 142 | R | 92.8 | Very high | 93.8 | Very high | 127 Ų | 127 | 54.5 Ų | 54.5 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72 | -19.8 | 176 | -58 | -65.6 | -171.5 | 174.7 | 1.9 | 112.2 | F120 A134 M139 H140 A144 T145 | F120-R142 HydrophobicContact CE1-CB 4.11Å; F120-R142 HydrophobicContact CE1-CG 4.24Å; F120-R142 HydrophobicContact CE2-CB 4.02Å; F120-R142 HydrophobicContact CZ-CB 3.65Å; F120-R142 HydrophobicContact CZ-CG 4.27Å; A134-R142 HydrophobicContact CB-CB 4.49Å; M139-R142 HydrophobicContact CB-CB 4.12Å; M139-R142 HydrophobicContact CB-CG 3.83Å; M139-R142 WeakPolarHBondContact O-CA 3.49Å; M139-R142 VanDerWaalsContact O-CB 3.27Å; M139-R142 WeakPolarHBondContact O-CB 3.44Å; M139-R142 PolarHBondContact O-N 3.22Å; M139-R142 HydrophobicContact SD-CG 4.35Å; H140-R142 PolarHBondContact O-N 3.06Å; R142-A144 PolarHBondContact O-N 3.23Å; R142-T145 WeakPolarHBondContact O-CB 3.35Å; R142-T145 WeakPolarHBondContact O-CG2 3.26Å; R142-T145 PolarHBondContact O-N 2.82Å; R142-T145 VanDerWaalsContact O-N 3.16Å; R142-T145 PolarHBondContact O-OG1 2.97Å |
| 143 | M | 90.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.6 | -22.6 | 177.7 | -59.1 | -174.4 | -178.2 | 0 | 0 | 112.7 | A134 C135 H140 Q141 T145 F146 W167 L171 | A134-M143 HydrophobicContact CB-CE 4.23Å; A134-M143 HydrophobicContact CB-CG 4.18Å; A134-M143 WeakPolarHBondContact O-CE 3.32Å; C135-M143 VanDerWaalsContact CA-CE 3.49Å; C135-M143 HydrophobicContact CB-CE 4.19Å; H140-M143 VanDerWaalsContact O-CB 3.24Å; H140-M143 WeakPolarHBondContact O-CB 3.42Å; H140-M143 PolarHBondContact O-N 3.45Å; Q141-M143 PolarHBondContact O-N 2.77Å; M143-T145 PolarHBondContact O-N 3.37Å; M143-T145 VanDerWaalsContact O-N 3.08Å; M143-F146 WeakPolarHBondContact O-CD2 3.43Å; M143-F146 PolarHBondContact O-N 3.41Å; M143-F146 VanDerWaalsContact O-N 3.09Å; M143-W167 HydrophobicContact CE-CB 4.3Å; M143-W167 HydrophobicContact CE-CD2 3.25Å; M143-W167 HydrophobicContact CE-CE3 3.42Å; M143-W167 VanDerWaalsContact CE-CE3 3.42Å; M143-W167 HydrophobicContact CE-CG 3.66Å; M143-W167 HydrophobicContact CE-CH2 4.2Å; M143-W167 HydrophobicContact CE-CZ2 4.05Å; M143-W167 HydrophobicContact CE-CZ3 3.89Å; M143-W167 HydrophobicContact SD-CB 4.41Å; M143-W167 HydrophobicContact SD-CD2 3.82Å; M143-W167 HydrophobicContact SD-CE3 3.42Å; M143-W167 HydrophobicContact SD-CG 4.26Å; M143-W167 HydrophobicContact SD-CZ3 3.96Å; M143-L171 HydrophobicContact CB-CD2 4.18Å; M143-L171 HydrophobicContact SD-CD1 4.24Å; M143-L171 HydrophobicContact SD-CD2 4.32Å; M143-L171 HydrophobicContact SD-CG 4.46Å |
| 144 | A | 87.2 | Confident | 93.7 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 75% | 0.752 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q141 R142 F146 | Q141-A144 WeakPolarHBondContact O-CB 3.38Å; Q141-A144 PolarHBondContact O-N 3.31Å; R142-A144 PolarHBondContact O-N 3.23Å; A144-F146 VanDerWaalsContact C-N 3.27Å; A144-F146 PolarHBondContact O-N 3.44Å |
| 145 | T | 90.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 61 Ų | 61 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.8 | 175.4 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | R142 M143 | R142-T145 WeakPolarHBondContact O-CB 3.35Å; R142-T145 WeakPolarHBondContact O-CG2 3.26Å; R142-T145 PolarHBondContact O-N 2.82Å; R142-T145 VanDerWaalsContact O-N 3.16Å; R142-T145 PolarHBondContact O-OG1 2.97Å; M143-T145 PolarHBondContact O-N 3.37Å; M143-T145 VanDerWaalsContact O-N 3.08Å |
| 146 | F | 93.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 70 Ų | 70 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -99.5 | 116.5 | 179.5 | -54.2 | -73.3 | 0 | 0 | 0 | 110.6 | F120 P127 R130 F131 M143 A144 W150 L151 F154 | F120-F146 HydrophobicContact CE2-CE2 4.46Å; F120-F146 HydrophobicContact CE2-CZ 4.2Å; F120-F146 HydrophobicContact CZ-CZ 4.49Å; P127-F146 HydrophobicContact CB-CE1 4.16Å; P127-F146 WeakPolarHBondContact O-CE1 3.17Å; R130-F146 HydrophobicContact CB-CE1 4.28Å; R130-F146 HydrophobicContact CB-CZ 3.8Å; F131-F146 HydrophobicContact CB-CE1 4.21Å; F131-F146 HydrophobicContact CB-CE2 3.99Å; F131-F146 HydrophobicContact CB-CZ 3.81Å; F131-F146 AromaticContact CD2-CD2 3.74Å; F131-F146 HydrophobicContact CD2-CD2 3.74Å; F131-F146 AromaticContact CD2-CE2 3.82Å; F131-F146 HydrophobicContact CD2-CE2 3.82Å; F131-F146 HydrophobicContact CD2-CG 4.34Å; F131-F146 HydrophobicContact CD2-CZ 4.46Å; F131-F146 HydrophobicContact CG-CE2 4.42Å; M143-F146 WeakPolarHBondContact O-CD2 3.43Å; M143-F146 PolarHBondContact O-N 3.41Å; M143-F146 VanDerWaalsContact O-N 3.09Å; A144-F146 VanDerWaalsContact C-N 3.27Å; A144-F146 PolarHBondContact O-N 3.44Å; F146-W150 HydrophobicContact CB-CB 4.05Å; F146-W150 HydrophobicContact CD1-CB 4.43Å; F146-L151 HydrophobicContact CB-CD2 4.17Å; F146-L151 HydrophobicContact CB-CG 4.48Å; F146-F154 HydrophobicContact CB-CE2 4.19Å; F146-F154 AromaticContact CD1-CE2 3.64Å; F146-F154 HydrophobicContact CD1-CE2 3.64Å; F146-F154 AromaticContact CD1-CZ 3.89Å; F146-F154 HydrophobicContact CD1-CZ 3.89Å; F146-F154 HydrophobicContact CD2-CE2 4.46Å; F146-F154 HydrophobicContact CE1-CE2 4.12Å; F146-F154 HydrophobicContact CE1-CZ 4.08Å; F146-F154 AromaticContact CG-CE2 3.83Å; F146-F154 HydrophobicContact CG-CE2 3.83Å |
| 147 | D | 92.3 | Very high | 93.1 | Very high | 74 Ų | 74 | 76.2 Ų | 76.2 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | trans | -69 | 172.7 | 175.7 | 69.3 | 22.3 | 0 | 0 | 0 | 112.9 | I149 W150 L151 | D147-I149 PolarHBondContact O-N 3.35Å; D147-I149 VanDerWaalsContact O-N 3.13Å; D147-I149 WeakPolarHBondContact OD1-CA 3.35Å; D147-I149 VanDerWaalsContact OD1-CB 3.31Å; D147-I149 WeakPolarHBondContact OD1-CB 3.41Å; D147-I149 PolarHBondContact OD1-N 3.07Å; D147-W150 PolarHBondContact O-N 2.68Å; D147-W150 VanDerWaalsContact O-N 3.17Å; D147-W150 PolarHBondContact OD1-N 3.22Å; D147-L151 WeakPolarHBondContact O-CG 3.35Å; D147-L151 PolarHBondContact O-N 3.05Å | ||
| 148 | H | 92.8 | Very high | 92.9 | Very high | 125 Ų | 125 | 75.9 Ų | 75.9 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.4 | -24.6 | 179.3 | 73.1 | -80.4 | 0 | 0 | 0 | 114 | R152 | H148-R152 WeakPolarHBondContact O-CB 3.47Å; H148-R152 PolarHBondContact O-N 3.39Å; H148-R152 VanDerWaalsContact O-N 3.11Å |
| 149 | I | 94.3 | Very high | 92.6 | Very high | 92 Ų | 92 | 77.8 Ų | 77.8 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.4 | -49.5 | 177.4 | -58.3 | 176.8 | 0 | 0 | 0 | 108.7 | D147 L151 R152 V153 | D147-I149 PolarHBondContact O-N 3.35Å; D147-I149 VanDerWaalsContact O-N 3.13Å; D147-I149 WeakPolarHBondContact OD1-CA 3.35Å; D147-I149 VanDerWaalsContact OD1-CB 3.31Å; D147-I149 WeakPolarHBondContact OD1-CB 3.41Å; D147-I149 PolarHBondContact OD1-N 3.07Å; I149-L151 PolarHBondContact O-N 2.89Å; I149-R152 WeakPolarHBondContact O-CB 3.29Å; I149-R152 PolarHBondContact O-N 2.94Å; I149-V153 WeakPolarHBondContact O-CG2 3.38Å; I149-V153 PolarHBondContact O-N 3.28Å |
| 150 | W | 95 | Very high | 92.4 | Very high | 97 Ų | 97 | 79.9 Ų | 79.9 | 37% | 0.367 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 175.1 | -80.5 | 113.6 | 0 | 0 | 0 | 111.9 | P127 F146 D147 R152 V153 F154 | P127-W150 HydrophobicContact CB-CD2 4.07Å; P127-W150 HydrophobicContact CB-CE3 3.95Å; P127-W150 HydrophobicContact CB-CH2 3.94Å; P127-W150 HydrophobicContact CB-CZ2 4.05Å; P127-W150 HydrophobicContact CB-CZ3 3.88Å; P127-W150 HydrophobicContact CG-CH2 3.65Å; P127-W150 HydrophobicContact CG-CZ2 3.6Å; P127-W150 HydrophobicContact CG-CZ3 4.13Å; F146-W150 HydrophobicContact CB-CB 4.05Å; F146-W150 HydrophobicContact CD1-CB 4.43Å; D147-W150 PolarHBondContact O-N 2.68Å; D147-W150 VanDerWaalsContact O-N 3.17Å; D147-W150 PolarHBondContact OD1-N 3.22Å; W150-R152 VanDerWaalsContact C-N 3.28Å; W150-R152 PolarHBondContact O-N 3.4Å; W150-V153 CarbonylContact O-C 3.6Å; W150-V153 WeakPolarHBondContact O-CA 3.37Å; W150-V153 WeakPolarHBondContact O-CB 3.44Å; W150-V153 PolarHBondContact O-N 2.85Å; W150-F154 HydrophobicContact CB-CE2 3.97Å; W150-F154 HydrophobicContact CB-CZ 4.19Å; W150-F154 HydrophobicContact CD2-CZ 4.34Å; W150-F154 AromaticContact CE3-CE1 3.82Å; W150-F154 HydrophobicContact CE3-CE1 3.82Å; W150-F154 AromaticContact CE3-CZ 3.82Å; W150-F154 HydrophobicContact CE3-CZ 3.82Å; W150-F154 HydrophobicContact CZ3-CE1 4.38Å; W150-F154 WeakPolarHBondContact O-CD2 3.35Å; W150-F154 VanDerWaalsContact O-CG 3.25Å; W150-F154 WeakPolarHBondContact O-CG 3.5Å; W150-F154 PolarHBondContact O-N 3.09Å |
| 151 | L | 94.7 | Very high | 92.6 | Very high | 34 Ų | 34 | 76.7 Ų | 76.7 | 18% | 0.178 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 177.3 | -64.4 | 178.8 | 0 | 0 | 0 | 112.1 | F131 F146 D147 I149 F154 R155 L168 L171 | F131-L151 HydrophobicContact CE2-CD2 4.12Å; F146-L151 HydrophobicContact CB-CD2 4.17Å; F146-L151 HydrophobicContact CB-CG 4.48Å; D147-L151 WeakPolarHBondContact O-CG 3.35Å; D147-L151 PolarHBondContact O-N 3.05Å; I149-L151 PolarHBondContact O-N 2.89Å; L151-F154 HydrophobicContact CD2-CD2 4.41Å; L151-R155 WeakPolarHBondContact O-CB 3.28Å; L151-R155 PolarHBondContact O-N 2.94Å; L151-L168 HydrophobicContact CD2-CD2 4.31Å; L151-L171 HydrophobicContact CD2-CD1 3.79Å |
| 152 | R | 94.8 | Very high | 92.9 | Very high | 139 Ų | 139 | 71.3 Ų | 71.3 | 53% | 0.525 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 173.4 | -171.9 | -177 | -65.3 | 158.2 | 0.6 | 112 | H148 I149 W150 R156 | H148-R152 WeakPolarHBondContact O-CB 3.47Å; H148-R152 PolarHBondContact O-N 3.39Å; H148-R152 VanDerWaalsContact O-N 3.11Å; I149-R152 WeakPolarHBondContact O-CB 3.29Å; I149-R152 PolarHBondContact O-N 2.94Å; W150-R152 VanDerWaalsContact C-N 3.28Å; W150-R152 PolarHBondContact O-N 3.4Å; R152-R156 PolarHBondContact O-N 2.92Å |
| 153 | V | 94.7 | Very high | 93.1 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -46.1 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | I149 W150 R156 R157 | I149-V153 WeakPolarHBondContact O-CG2 3.38Å; I149-V153 PolarHBondContact O-N 3.28Å; W150-V153 CarbonylContact O-C 3.6Å; W150-V153 WeakPolarHBondContact O-CA 3.37Å; W150-V153 WeakPolarHBondContact O-CB 3.44Å; W150-V153 PolarHBondContact O-N 2.85Å; V153-R156 PolarHBondContact O-N 3.38Å; V153-R157 HydrophobicContact CG1-CG 4.34Å; V153-R157 WeakPolarHBondContact O-CB 3.32Å; V153-R157 WeakPolarHBondContact O-CG 3.48Å; V153-R157 PolarHBondContact O-N 3.33Å |
| 154 | F | 94.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.4 | -61.7 | -29.2 | 0 | 0 | 0 | 111.3 | P127 Q128 F131 F146 W150 L151 R156 R157 L158 | P127-F154 HydrophobicContact CB-CZ 4.13Å; Q128-F154 HydrophobicContact CB-CE1 4.13Å; Q128-F154 HydrophobicContact CG-CD1 4.49Å; Q128-F154 HydrophobicContact CG-CE1 4.36Å; F131-F154 HydrophobicContact CB-CD2 4Å; F131-F154 HydrophobicContact CB-CE1 4.32Å; F131-F154 HydrophobicContact CB-CE2 3.51Å; F131-F154 HydrophobicContact CB-CZ 3.71Å; F131-F154 HydrophobicContact CD1-CB 4.27Å; F131-F154 AromaticContact CD1-CD2 3.7Å; F131-F154 HydrophobicContact CD1-CD2 3.7Å; F131-F154 HydrophobicContact CD1-CE2 4.14Å; F131-F154 AromaticContact CD1-CG 3.92Å; F131-F154 HydrophobicContact CD1-CG 3.92Å; F131-F154 AromaticContact CD2-CD2 3.64Å; F131-F154 HydrophobicContact CD2-CD2 3.64Å; F131-F154 AromaticContact CD2-CE2 3.65Å; F131-F154 HydrophobicContact CD2-CE2 3.65Å; F131-F154 HydrophobicContact CE1-CB 4.13Å; F131-F154 HydrophobicContact CE1-CD2 4.04Å; F131-F154 HydrophobicContact CE1-CG 4.25Å; F131-F154 AromaticContact CE2-CD2 3.99Å; F131-F154 HydrophobicContact CE2-CD2 3.99Å; F131-F154 HydrophobicContact CE2-CE2 4.41Å; F131-F154 AromaticContact CG-CD2 3.48Å; F131-F154 HydrophobicContact CG-CD2 3.48Å; F131-F154 VanDerWaalsContact CG-CD2 3.48Å; F131-F154 AromaticContact CG-CE2 3.49Å; F131-F154 HydrophobicContact CG-CE2 3.49Å; F131-F154 VanDerWaalsContact CG-CE2 3.49Å; F131-F154 HydrophobicContact CG-CG 4.13Å; F131-F154 HydrophobicContact CG-CZ 4.15Å; F131-F154 HydrophobicContact CZ-CD2 4.18Å; F146-F154 HydrophobicContact CB-CE2 4.19Å; F146-F154 AromaticContact CD1-CE2 3.64Å; F146-F154 HydrophobicContact CD1-CE2 3.64Å; F146-F154 AromaticContact CD1-CZ 3.89Å; F146-F154 HydrophobicContact CD1-CZ 3.89Å; F146-F154 HydrophobicContact CD2-CE2 4.46Å; F146-F154 HydrophobicContact CE1-CE2 4.12Å; F146-F154 HydrophobicContact CE1-CZ 4.08Å; F146-F154 AromaticContact CG-CE2 3.83Å; F146-F154 HydrophobicContact CG-CE2 3.83Å; W150-F154 HydrophobicContact CB-CE2 3.97Å; W150-F154 HydrophobicContact CB-CZ 4.19Å; W150-F154 HydrophobicContact CD2-CZ 4.34Å; W150-F154 AromaticContact CE3-CE1 3.82Å; W150-F154 HydrophobicContact CE3-CE1 3.82Å; W150-F154 AromaticContact CE3-CZ 3.82Å; W150-F154 HydrophobicContact CE3-CZ 3.82Å; W150-F154 HydrophobicContact CZ3-CE1 4.38Å; W150-F154 WeakPolarHBondContact O-CD2 3.35Å; W150-F154 VanDerWaalsContact O-CG 3.25Å; W150-F154 WeakPolarHBondContact O-CG 3.5Å; W150-F154 PolarHBondContact O-N 3.09Å; L151-F154 HydrophobicContact CD2-CD2 4.41Å; F154-R156 PolarHBondContact O-N 3.09Å; F154-R156 VanDerWaalsContact O-N 3.13Å; F154-R157 PolarHBondContact O-N 3.17Å; F154-L158 HydrophobicContact CB-CD1 4.16Å; F154-L158 HydrophobicContact CD1-CD1 4.35Å; F154-L158 HydrophobicContact CG-CD1 4.41Å; F154-L158 WeakPolarHBondContact O-CA 3.28Å; F154-L158 VanDerWaalsContact O-CB 3.25Å; F154-L158 WeakPolarHBondContact O-CB 3.33Å; F154-L158 PolarHBondContact O-N 3.45Å |
| 155 | R | 94.2 | Very high | 93.8 | Very high | 96 Ų | 96 | 63.4 Ų | 63.4 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.3 | -33.8 | 175.9 | -168.4 | 176.4 | -78.9 | 107 | -14.3 | 113.1 | L151 S159 L168 D172 | L151-R155 WeakPolarHBondContact O-CB 3.28Å; L151-R155 PolarHBondContact O-N 2.94Å; R155-S159 VanDerWaalsContact O-CB 3.23Å; R155-S159 WeakPolarHBondContact O-CB 3.33Å; R155-S159 PolarHBondContact O-OG 3.07Å; R155-L168 HydrophobicContact CB-CD1 3.89Å; R155-L168 HydrophobicContact CG-CD1 4.19Å; R155-D172 IonicContact CZ-OD2 3.02Å; R155-D172 VanDerWaalsContact NH2-CG 3.29Å; R155-D172 IonicContact NH2-OD1 3.11Å; R155-D172 PolarHBondContact NH2-OD1 2.64Å; R155-D172 VanDerWaalsContact NH2-OD1 3.11Å; R155-D172 IonicContact NH2-OD2 3.83Å; R155-D172 PolarHBondContact NH2-OD2 2.97Å |
| 156 | R | 92.9 | Very high | 94.1 | Very high | 190 Ų | 190 | 59.8 Ų | 59.8 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -78.8 | -38.4 | 174.9 | -68.4 | 177.2 | -179.6 | 178 | -0.8 | 113.5 | R152 V153 F154 | R152-R156 PolarHBondContact O-N 2.92Å; V153-R156 PolarHBondContact O-N 3.38Å; F154-R156 PolarHBondContact O-N 3.09Å; F154-R156 VanDerWaalsContact O-N 3.13Å |
| 157 | R | 91 | Very high | 94.3 | Very high | 129 Ų | 129 | 59.1 Ų | 59.1 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -89.5 | -21.5 | -172.1 | -72 | -173 | 176.3 | -177.2 | 1.6 | 114.5 | R86 V153 F154 | R86-R157 VanDerWaalsContact NH2-C 3.26Å; R86-R157 PolarHBondContact NH2-O 3.18Å; V153-R157 HydrophobicContact CG1-CG 4.34Å; V153-R157 WeakPolarHBondContact O-CB 3.32Å; V153-R157 WeakPolarHBondContact O-CG 3.48Å; V153-R157 PolarHBondContact O-N 3.33Å; F154-R157 PolarHBondContact O-N 3.17Å |
| 158 | L | 92.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -120.8 | -0.6 | -170.1 | -63.9 | -176.2 | 0 | 0 | 0 | 112.9 | Q128 F131 Q132 F154 H161 Y164 | Q128-L158 HydrophobicContact CG-CD1 4.28Å; Q128-L158 HydrophobicContact CG-CD2 4.33Å; F131-L158 HydrophobicContact CD1-CD1 3.75Å; F131-L158 HydrophobicContact CE1-CD1 4.06Å; Q132-L158 HydrophobicContact CG-CD1 4.26Å; F154-L158 HydrophobicContact CB-CD1 4.16Å; F154-L158 HydrophobicContact CD1-CD1 4.35Å; F154-L158 HydrophobicContact CG-CD1 4.41Å; F154-L158 WeakPolarHBondContact O-CA 3.28Å; F154-L158 VanDerWaalsContact O-CB 3.25Å; F154-L158 WeakPolarHBondContact O-CB 3.33Å; F154-L158 PolarHBondContact O-N 3.45Å; L158-H161 WeakPolarHBondContact O-CB 3.3Å; L158-H161 PolarHBondContact O-N 3.48Å; L158-Y164 HydrophobicContact CB-CD2 3.52Å; L158-Y164 HydrophobicContact CB-CE2 4.34Å; L158-Y164 HydrophobicContact CB-CG 3.83Å; L158-Y164 HydrophobicContact CD1-CD1 4.22Å; L158-Y164 HydrophobicContact CD1-CD2 4.03Å; L158-Y164 HydrophobicContact CD1-CE2 4.32Å; L158-Y164 HydrophobicContact CD1-CG 4.01Å; L158-Y164 HydrophobicContact CD2-CD2 4.04Å; L158-Y164 HydrophobicContact CD2-CE2 3.98Å; L158-Y164 HydrophobicContact CG-CD2 4.07Å; L158-Y164 HydrophobicContact CG-CE2 4.44Å; L158-Y164 HydrophobicContact CG-CG 4.42Å |
| 159 | S | 90.2 | Very high | 94.5 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 147.3 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 113 | R155 H161 D165 | R155-S159 VanDerWaalsContact O-CB 3.23Å; R155-S159 WeakPolarHBondContact O-CB 3.33Å; R155-S159 PolarHBondContact O-OG 3.07Å; S159-H161 VanDerWaalsContact C-N 3.28Å; S159-D165 WeakPolarHBondContact CA-OD1 3.5Å |
| 160 | G | 91.5 | Very high | 94.6 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 63% | 0.629 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D165 | G160-D165 VanDerWaalsContact CA-OD2 3.24Å; G160-D165 WeakPolarHBondContact CA-OD2 3.37Å; G160-D165 PolarHBondContact N-OD1 3.18Å; G160-D165 PolarHBondContact N-OD2 2.9Å |
| 161 | H | 94.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | trans | -99.9 | 122.9 | 172 | -167.8 | -73 | 0 | 0 | 0 | 109.6 | A81 L84 L158 S159 L163 Y164 D165 W195 | A81-H161 PolarHBondContact O-NE2 3.43Å; L84-H161 HydrophobicContact CD2-CB 3.92Å; L84-H161 HydrophobicContact CG-CB 4.32Å; L158-H161 WeakPolarHBondContact O-CB 3.3Å; L158-H161 PolarHBondContact O-N 3.48Å; S159-H161 VanDerWaalsContact C-N 3.28Å; H161-L163 VanDerWaalsContact C-N 3.26Å; H161-L163 VanDerWaalsContact CE1-CB 3.47Å; H161-L163 WeakPolarHBondContact CE1-CB 3.47Å; H161-L163 VanDerWaalsContact ND1-CB 3.28Å; H161-L163 WeakPolarHBondContact ND1-CB 3.39Å; H161-L163 PolarHBondContact ND1-N 3.35Å; H161-L163 PolarHBondContact O-N 3.03Å; H161-L163 VanDerWaalsContact O-N 3.09Å; H161-Y164 HydrophobicContact CB-CD2 3.4Å; H161-Y164 VanDerWaalsContact CB-CD2 3.4Å; H161-Y164 HydrophobicContact CB-CE2 3.94Å; H161-Y164 HydrophobicContact CB-CG 4.26Å; H161-Y164 AromaticContact CD2-CE2 3.98Å; H161-Y164 AromaticContact CG-CD2 3.57Å; H161-Y164 AromaticContact CG-CE2 3.63Å; H161-Y164 AromaticContact ND1-CD2 3.8Å; H161-Y164 AromaticContact ND1-CE2 3.81Å; H161-Y164 PolarHBondContact O-N 2.89Å; H161-D165 PolarHBondContact N-OD2 2.89Å; H161-D165 PolarHBondContact O-N 2.9Å; H161-W195 AromaticContact CE1-CE2 3.38Å; H161-W195 AromaticContact CE1-CZ2 3.44Å; H161-W195 VanDerWaalsContact CE1-CZ2 3.44Å; H161-W195 WeakPolarHBondContact CE1-CZ2 3.44Å; H161-W195 AromaticContact CE1-NE1 3.46Å; H161-W195 PolarHBondContact CE1-NE1 3.34Å; H161-W195 AromaticContact NE2-CE2 3.82Å; H161-W195 AromaticContact NE2-CZ2 3.84Å; H161-W195 AromaticContact NE2-NE1 3.57Å | ||
| 162 | P | 96.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -51.5 | -41.6 | -174.9 | -29.6 | 35.2 | 0 | 0 | 0 | 114.3 | F166 A191 W195 | P162-F166 VanDerWaalsContact O-CB 3.25Å; P162-F166 WeakPolarHBondContact O-CB 3.46Å; P162-F166 PolarHBondContact O-N 3.38Å; P162-A191 HydrophobicContact CB-CB 4.04Å; P162-W195 HydrophobicContact CB-CB 4.03Å; P162-W195 HydrophobicContact CB-CG 4.35Å; P162-W195 HydrophobicContact CG-CB 4.34Å; P162-W195 HydrophobicContact CG-CG 4.49Å |
| 163 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58 | -49.5 | 176.7 | -179 | 62 | 0 | 0 | 0 | 113.2 | L82 C135 A136 H161 W167 V192 W195 L204 | L82-L163 HydrophobicContact CD2-CD2 3.75Å; C135-L163 HydrophobicContact CB-CD1 3.97Å; C135-L163 HydrophobicContact CB-CD2 3.83Å; C135-L163 HydrophobicContact CB-CG 3.74Å; A136-L163 HydrophobicContact CB-CD2 4.16Å; H161-L163 VanDerWaalsContact C-N 3.26Å; H161-L163 VanDerWaalsContact CE1-CB 3.47Å; H161-L163 WeakPolarHBondContact CE1-CB 3.47Å; H161-L163 VanDerWaalsContact ND1-CB 3.28Å; H161-L163 WeakPolarHBondContact ND1-CB 3.39Å; H161-L163 PolarHBondContact ND1-N 3.35Å; H161-L163 PolarHBondContact O-N 3.03Å; H161-L163 VanDerWaalsContact O-N 3.09Å; L163-W167 PolarHBondContact O-N 3.33Å; L163-W167 VanDerWaalsContact O-N 3.15Å; L163-V192 HydrophobicContact CD1-CG2 4.07Å; L163-W195 HydrophobicContact CB-CE3 4.13Å; L163-W195 HydrophobicContact CB-CH2 4.27Å; L163-W195 HydrophobicContact CB-CZ3 4Å; L163-W195 HydrophobicContact CD1-CE3 4.47Å; L163-W195 HydrophobicContact CD1-CZ3 3.97Å; L163-W195 HydrophobicContact CD2-CH2 3.66Å; L163-W195 HydrophobicContact CD2-CZ2 4.46Å; L163-W195 HydrophobicContact CD2-CZ3 3.82Å; L163-W195 HydrophobicContact CG-CH2 4.42Å; L163-W195 HydrophobicContact CG-CZ3 4.15Å; L163-L204 HydrophobicContact CD1-CD2 3.33Å |
| 164 | Y | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -80.4 | -37.4 | -171.6 | -53 | -44.8 | 0 | 0 | 0 | 111 | L82 F131 Q132 C135 L158 H161 F166 W167 L168 | L82-Y164 WeakPolarHBondContact CB-OH 3.43Å; L82-Y164 PolarHBondContact O-OH 3.13Å; F131-Y164 HydrophobicContact CE1-CD1 4.17Å; Q132-Y164 HydrophobicContact CB-CE1 4.11Å; Q132-Y164 WeakPolarHBondContact CB-OH 3.35Å; Q132-Y164 HydrophobicContact CG-CE1 3.83Å; Q132-Y164 HydrophobicContact CG-CE2 4.39Å; Q132-Y164 VanDerWaalsContact CG-OH 3.22Å; Q132-Y164 WeakPolarHBondContact CG-OH 3.35Å; Q132-Y164 PolarHBondContact NE2-OH 3.03Å; C135-Y164 HydrophobicContact CB-CD1 4.15Å; C135-Y164 HydrophobicContact CB-CE1 4.07Å; L158-Y164 HydrophobicContact CB-CD2 3.52Å; L158-Y164 HydrophobicContact CB-CE2 4.34Å; L158-Y164 HydrophobicContact CB-CG 3.83Å; L158-Y164 HydrophobicContact CD1-CD1 4.22Å; L158-Y164 HydrophobicContact CD1-CD2 4.03Å; L158-Y164 HydrophobicContact CD1-CE2 4.32Å; L158-Y164 HydrophobicContact CD1-CG 4.01Å; L158-Y164 HydrophobicContact CD2-CD2 4.04Å; L158-Y164 HydrophobicContact CD2-CE2 3.98Å; L158-Y164 HydrophobicContact CG-CD2 4.07Å; L158-Y164 HydrophobicContact CG-CE2 4.44Å; L158-Y164 HydrophobicContact CG-CG 4.42Å; H161-Y164 HydrophobicContact CB-CD2 3.4Å; H161-Y164 VanDerWaalsContact CB-CD2 3.4Å; H161-Y164 HydrophobicContact CB-CE2 3.94Å; H161-Y164 HydrophobicContact CB-CG 4.26Å; H161-Y164 AromaticContact CD2-CE2 3.98Å; H161-Y164 AromaticContact CG-CD2 3.57Å; H161-Y164 AromaticContact CG-CE2 3.63Å; H161-Y164 AromaticContact ND1-CD2 3.8Å; H161-Y164 AromaticContact ND1-CE2 3.81Å; H161-Y164 PolarHBondContact O-N 2.89Å; Y164-F166 VanDerWaalsContact C-N 3.28Å; Y164-F166 PolarHBondContact O-N 2.91Å; Y164-W167 PolarHBondContact O-N 2.82Å; Y164-L168 VanDerWaalsContact O-CB 3.3Å; Y164-L168 WeakPolarHBondContact O-CB 3.43Å; Y164-L168 WeakPolarHBondContact O-CD1 3.2Å; Y164-L168 WeakPolarHBondContact O-CG 3.23Å; Y164-L168 PolarHBondContact O-N 3.45Å |
| 165 | D | 95.8 | Very high | 94.2 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 173.9 | -64.9 | -24 | 0 | 0 | 0 | 110.6 | S159 G160 H161 T169 | S159-D165 WeakPolarHBondContact CA-OD1 3.5Å; G160-D165 VanDerWaalsContact CA-OD2 3.24Å; G160-D165 WeakPolarHBondContact CA-OD2 3.37Å; G160-D165 PolarHBondContact N-OD1 3.18Å; G160-D165 PolarHBondContact N-OD2 2.9Å; H161-D165 PolarHBondContact N-OD2 2.89Å; H161-D165 PolarHBondContact O-N 2.9Å; D165-T169 VanDerWaalsContact O-CB 3.32Å; D165-T169 WeakPolarHBondContact O-CB 3.21Å; D165-T169 PolarHBondContact O-N 3.19Å; D165-T169 VanDerWaalsContact O-N 3.08Å; D165-T169 PolarHBondContact O-OG1 3.31Å |
| 166 | F | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -56.1 | 172.4 | 168.5 | -98.5 | 0 | 0 | 0 | 112.3 | P162 Y164 L168 T169 Y170 L177 F178 P188 V189 V192 F207 L208 | P162-F166 VanDerWaalsContact O-CB 3.25Å; P162-F166 WeakPolarHBondContact O-CB 3.46Å; P162-F166 PolarHBondContact O-N 3.38Å; Y164-F166 VanDerWaalsContact C-N 3.28Å; Y164-F166 PolarHBondContact O-N 2.91Å; F166-L168 PolarHBondContact O-N 3.17Å; F166-T169 PolarHBondContact O-N 3.43Å; F166-T169 VanDerWaalsContact O-N 3.16Å; F166-Y170 WeakPolarHBondContact O-CB 3.47Å; F166-Y170 PolarHBondContact O-N 3.19Å; F166-L177 HydrophobicContact CD2-CD2 3.7Å; F166-L177 HydrophobicContact CE2-CD2 3.53Å; F166-L177 HydrophobicContact CZ-CD2 4.45Å; F166-F178 HydrophobicContact CE2-CZ 4.04Å; F166-F178 AromaticContact CZ-CZ 3.93Å; F166-F178 HydrophobicContact CZ-CZ 3.93Å; F166-P188 HydrophobicContact CD2-CB 4.46Å; F166-V189 HydrophobicContact CE2-CG2 4.19Å; F166-V192 HydrophobicContact CB-CB 3.72Å; F166-V192 HydrophobicContact CB-CG1 3.9Å; F166-V192 HydrophobicContact CB-CG2 4.06Å; F166-V192 HydrophobicContact CD1-CB 4.37Å; F166-V192 HydrophobicContact CD1-CG1 4.03Å; F166-V192 HydrophobicContact CD1-CG2 4.11Å; F166-V192 HydrophobicContact CD2-CB 4.31Å; F166-V192 HydrophobicContact CD2-CG1 3.52Å; F166-V192 HydrophobicContact CE2-CG1 4.03Å; F166-V192 HydrophobicContact CG-CB 3.88Å; F166-V192 HydrophobicContact CG-CG1 3.52Å; F166-V192 HydrophobicContact CG-CG2 4.11Å; F166-F207 HydrophobicContact CE1-CE1 4.19Å; F166-F207 AromaticContact CZ-CE1 3.98Å; F166-F207 HydrophobicContact CZ-CE1 3.98Å; F166-L208 HydrophobicContact CE1-CD2 4.17Å; F166-L208 HydrophobicContact CE2-CD2 3.83Å; F166-L208 HydrophobicContact CZ-CD2 3.57Å |
| 167 | W | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | -175.3 | -81.4 | 110.4 | 0 | 0 | 0 | 112.9 | C135 A138 H140 M143 L163 Y164 T169 Y170 L171 L204 F207 | C135-W167 VanDerWaalsContact CA-NE1 3.34Å; C135-W167 HydrophobicContact CB-CG 4.09Å; C135-W167 PolarHBondContact O-NE1 3.35Å; C135-W167 VanDerWaalsContact SG-CD1 3.51Å; A138-W167 HydrophobicContact CB-CH2 4.26Å; A138-W167 HydrophobicContact CB-CZ2 3.85Å; H140-W167 HydrophobicContact CB-CH2 3.71Å; H140-W167 HydrophobicContact CB-CZ3 3.55Å; M143-W167 HydrophobicContact CE-CB 4.3Å; M143-W167 HydrophobicContact CE-CD2 3.25Å; M143-W167 HydrophobicContact CE-CE3 3.42Å; M143-W167 VanDerWaalsContact CE-CE3 3.42Å; M143-W167 HydrophobicContact CE-CG 3.66Å; M143-W167 HydrophobicContact CE-CH2 4.2Å; M143-W167 HydrophobicContact CE-CZ2 4.05Å; M143-W167 HydrophobicContact CE-CZ3 3.89Å; M143-W167 HydrophobicContact SD-CB 4.41Å; M143-W167 HydrophobicContact SD-CD2 3.82Å; M143-W167 HydrophobicContact SD-CE3 3.42Å; M143-W167 HydrophobicContact SD-CG 4.26Å; M143-W167 HydrophobicContact SD-CZ3 3.96Å; L163-W167 PolarHBondContact O-N 3.33Å; L163-W167 VanDerWaalsContact O-N 3.15Å; Y164-W167 PolarHBondContact O-N 2.82Å; W167-T169 VanDerWaalsContact C-N 3.29Å; W167-T169 PolarHBondContact O-N 3.43Å; W167-Y170 AromaticContact CE3-CD1 3.8Å; W167-Y170 HydrophobicContact CE3-CD1 3.8Å; W167-Y170 HydrophobicContact CE3-CG 4.43Å; W167-Y170 AromaticContact CZ3-CD1 3.63Å; W167-Y170 HydrophobicContact CZ3-CD1 3.63Å; W167-Y170 AromaticContact CZ3-CE1 3.91Å; W167-Y170 HydrophobicContact CZ3-CE1 3.91Å; W167-Y170 HydrophobicContact CZ3-CG 4.44Å; W167-Y170 PolarHBondContact O-N 2.92Å; W167-L171 WeakPolarHBondContact O-CB 3.25Å; W167-L171 WeakPolarHBondContact O-CG 3.07Å; W167-L171 PolarHBondContact O-N 2.93Å; W167-L204 HydrophobicContact CZ2-CD1 4.01Å; W167-F207 HydrophobicContact CH2-CD1 4.08Å; W167-F207 AromaticContact CH2-CE1 3.73Å; W167-F207 HydrophobicContact CH2-CE1 3.73Å; W167-F207 HydrophobicContact CH2-CE2 4.2Å; W167-F207 HydrophobicContact CH2-CG 4.47Å; W167-F207 AromaticContact CH2-CZ 3.8Å; W167-F207 HydrophobicContact CH2-CZ 3.8Å; W167-F207 HydrophobicContact CZ2-CD1 4.27Å; W167-F207 HydrophobicContact CZ2-CE1 4.25Å; W167-F207 HydrophobicContact CZ3-CE1 4.33Å; W167-F207 HydrophobicContact CZ3-CZ 4.21Å |
| 168 | L | 94.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -37.5 | 175 | -69.1 | 167.4 | 0 | 0 | 0 | 111.5 | F131 L151 R155 Y164 F166 D172 | F131-L168 HydrophobicContact CZ-CD2 4.04Å; F131-L168 HydrophobicContact CZ-CG 4.3Å; L151-L168 HydrophobicContact CD2-CD2 4.31Å; R155-L168 HydrophobicContact CB-CD1 3.89Å; R155-L168 HydrophobicContact CG-CD1 4.19Å; Y164-L168 VanDerWaalsContact O-CB 3.3Å; Y164-L168 WeakPolarHBondContact O-CB 3.43Å; Y164-L168 WeakPolarHBondContact O-CD1 3.2Å; Y164-L168 WeakPolarHBondContact O-CG 3.23Å; Y164-L168 PolarHBondContact O-N 3.45Å; F166-L168 PolarHBondContact O-N 3.17Å; L168-D172 VanDerWaalsContact O-CG 3.29Å; L168-D172 PolarHBondContact O-N 3.38Å |
| 169 | T | 94.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.5 | -42 | 174.3 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | D165 F166 W167 L171 D172 Q173 L177 | D165-T169 VanDerWaalsContact O-CB 3.32Å; D165-T169 WeakPolarHBondContact O-CB 3.21Å; D165-T169 PolarHBondContact O-N 3.19Å; D165-T169 VanDerWaalsContact O-N 3.08Å; D165-T169 PolarHBondContact O-OG1 3.31Å; F166-T169 PolarHBondContact O-N 3.43Å; F166-T169 VanDerWaalsContact O-N 3.16Å; W167-T169 VanDerWaalsContact C-N 3.29Å; W167-T169 PolarHBondContact O-N 3.43Å; T169-L171 VanDerWaalsContact C-N 3.33Å; T169-L171 PolarHBondContact O-N 3.14Å; T169-D172 PolarHBondContact O-N 2.84Å; T169-D172 VanDerWaalsContact O-N 3.16Å; T169-Q173 HydrophobicContact CG2-CG 4.31Å; T169-Q173 WeakPolarHBondContact O-CB 3.42Å; T169-Q173 PolarHBondContact O-N 2.97Å; T169-L177 HydrophobicContact CG2-CD1 3.81Å; T169-L177 HydrophobicContact CG2-CD2 4.28Å |
| 170 | Y | 95.5 | Very high | 93.9 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 12% | 0.122 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -36.5 | 177.8 | 179.7 | -96 | 0 | 0 | 0 | 111.8 | F166 W167 D172 Q173 G174 D175 L177 F178 F207 | F166-Y170 WeakPolarHBondContact O-CB 3.47Å; F166-Y170 PolarHBondContact O-N 3.19Å; W167-Y170 AromaticContact CE3-CD1 3.8Å; W167-Y170 HydrophobicContact CE3-CD1 3.8Å; W167-Y170 HydrophobicContact CE3-CG 4.43Å; W167-Y170 AromaticContact CZ3-CD1 3.63Å; W167-Y170 HydrophobicContact CZ3-CD1 3.63Å; W167-Y170 AromaticContact CZ3-CE1 3.91Å; W167-Y170 HydrophobicContact CZ3-CE1 3.91Å; W167-Y170 HydrophobicContact CZ3-CG 4.44Å; W167-Y170 PolarHBondContact O-N 2.92Å; Y170-D172 VanDerWaalsContact C-N 3.26Å; Y170-D172 PolarHBondContact O-N 2.95Å; Y170-Q173 PolarHBondContact O-N 2.56Å; Y170-G174 WeakPolarHBondContact CD2-O 3.39Å; Y170-G174 WeakPolarHBondContact O-CA 3.42Å; Y170-G174 PolarHBondContact O-N 3.34Å; Y170-D175 PolarHBondContact OH-OD1 3.16Å; Y170-L177 HydrophobicContact CD2-CD2 4.5Å; Y170-F178 AromaticContact CD2-CE2 3.9Å; Y170-F178 HydrophobicContact CD2-CE2 3.9Å; Y170-F178 AromaticContact CE2-CE2 3.76Å; Y170-F178 HydrophobicContact CE2-CE2 3.76Å; Y170-F207 HydrophobicContact CE1-CZ 4.15Å; Y170-F207 HydrophobicContact CE2-CZ 4.14Å; Y170-F207 AromaticContact CZ-CZ 3.79Å |
| 171 | L | 93.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -29.3 | 173.9 | -71.2 | 169.6 | 0 | 0 | 0 | 112.5 | F131 M143 L151 W167 T169 | F131-L171 HydrophobicContact CE2-CD1 4.37Å; M143-L171 HydrophobicContact CB-CD2 4.18Å; M143-L171 HydrophobicContact SD-CD1 4.24Å; M143-L171 HydrophobicContact SD-CD2 4.32Å; M143-L171 HydrophobicContact SD-CG 4.46Å; L151-L171 HydrophobicContact CD2-CD1 3.79Å; W167-L171 WeakPolarHBondContact O-CB 3.25Å; W167-L171 WeakPolarHBondContact O-CG 3.07Å; W167-L171 PolarHBondContact O-N 2.93Å; T169-L171 VanDerWaalsContact C-N 3.33Å; T169-L171 PolarHBondContact O-N 3.14Å |
| 172 | D | 91.7 | Very high | 93.2 | Very high | 112 Ų | 112 | 55.2 Ų | 55.2 | 60% | 0.599 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -82.9 | -37.3 | 176.6 | -64.4 | -25.2 | 0 | 0 | 0 | 112.4 | R155 L168 T169 Y170 | R155-D172 IonicContact CZ-OD2 3.02Å; R155-D172 VanDerWaalsContact NH2-CG 3.29Å; R155-D172 IonicContact NH2-OD1 3.11Å; R155-D172 PolarHBondContact NH2-OD1 2.64Å; R155-D172 VanDerWaalsContact NH2-OD1 3.11Å; R155-D172 IonicContact NH2-OD2 3.83Å; R155-D172 PolarHBondContact NH2-OD2 2.97Å; L168-D172 VanDerWaalsContact O-CG 3.29Å; L168-D172 PolarHBondContact O-N 3.38Å; T169-D172 PolarHBondContact O-N 2.84Å; T169-D172 VanDerWaalsContact O-N 3.16Å; Y170-D172 VanDerWaalsContact C-N 3.26Å; Y170-D172 PolarHBondContact O-N 2.95Å |
| 173 | Q | 93 | Very high | 93.1 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -109.4 | -17.6 | -169.9 | -62.1 | -178.6 | 17.1 | 0 | 0 | 115 | T169 Y170 H176 | T169-Q173 HydrophobicContact CG2-CG 4.31Å; T169-Q173 WeakPolarHBondContact O-CB 3.42Å; T169-Q173 PolarHBondContact O-N 2.97Å; Y170-Q173 PolarHBondContact O-N 2.56Å; Q173-H176 WeakPolarHBondContact O-CB 3.46Å; Q173-H176 PolarHBondContact O-CD2 3.14Å |
| 174 | G | 93.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | 59.4 | -144.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y170 H176 L177 | Y170-G174 WeakPolarHBondContact CD2-O 3.39Å; Y170-G174 WeakPolarHBondContact O-CA 3.42Å; Y170-G174 PolarHBondContact O-N 3.34Å; G174-H176 PolarHBondContact O-N 3.3Å; G174-H176 VanDerWaalsContact O-N 3.15Å; G174-L177 WeakPolarHBondContact O-CB 3.42Å; G174-L177 PolarHBondContact O-N 3Å |
| 175 | D | 93.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 40% | 0.401 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -65 | -16.4 | -177.4 | -77.3 | -23.5 | 0 | 0 | 0 | 113.7 | Y170 L177 F178 K211 | Y170-D175 PolarHBondContact OH-OD1 3.16Å; D175-L177 PolarHBondContact O-N 3.24Å; D175-F178 PolarHBondContact O-N 2.91Å; D175-K211 WeakPolarHBondContact OD1-CE 3.4Å; D175-K211 IonicContact OD1-NZ 3.88Å; D175-K211 PolarHBondContact OD1-NZ 3.4Å; D175-K211 IonicContact OD2-NZ 2.76Å; D175-K211 PolarHBondContact OD2-NZ 3.33Å |
| 176 | H | 93.9 | Very high | 92.8 | Very high | 124 Ų | 124 | 62.8 Ų | 62.8 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -59.8 | -17.5 | 174.3 | -63.2 | -53.7 | 0 | 0 | 0 | 113.7 | Q173 G174 F178 D179 K186 | Q173-H176 WeakPolarHBondContact O-CB 3.46Å; Q173-H176 PolarHBondContact O-CD2 3.14Å; G174-H176 PolarHBondContact O-N 3.3Å; G174-H176 VanDerWaalsContact O-N 3.15Å; H176-F178 PolarHBondContact O-N 3.15Å; H176-D179 WeakPolarHBondContact CA-OD2 3.37Å; H176-D179 IonicContact CE1-OD2 2.69Å; H176-D179 IonicContact CG-OD2 3.32Å; H176-D179 IonicContact ND1-OD2 3.67Å; H176-D179 PolarHBondContact ND1-OD2 3.42Å; H176-D179 PolarHBondContact O-N 2.98Å; H176-K186 PolarHBondContact O-NZ 2.91Å |
| 177 | L | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -63.2 | -25.2 | 172.1 | -172.5 | 58.9 | 0 | 0 | 0 | 112.6 | F166 T169 Y170 G174 D175 K186 P188 V189 | F166-L177 HydrophobicContact CD2-CD2 3.7Å; F166-L177 HydrophobicContact CE2-CD2 3.53Å; F166-L177 HydrophobicContact CZ-CD2 4.45Å; T169-L177 HydrophobicContact CG2-CD1 3.81Å; T169-L177 HydrophobicContact CG2-CD2 4.28Å; Y170-L177 HydrophobicContact CD2-CD2 4.5Å; G174-L177 WeakPolarHBondContact O-CB 3.42Å; G174-L177 PolarHBondContact O-N 3Å; D175-L177 PolarHBondContact O-N 3.24Å; L177-K186 HydrophobicContact CD1-CD 4.27Å; L177-K186 WeakPolarHBondContact O-CD 3.42Å; L177-P188 HydrophobicContact CD1-CB 4.34Å; L177-P188 HydrophobicContact CD1-CG 4.29Å; L177-V189 HydrophobicContact CD1-CG2 4.5Å; L177-V189 HydrophobicContact CD2-CG2 4.27Å; L177-V189 HydrophobicContact CG-CG2 3.85Å |
| 178 | F | 95 | Very high | 92.6 | Very high | 14 Ų | 14 | 71.2 Ų | 71.2 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -10.9 | 178.3 | -59.2 | -84.1 | 0 | 0 | 0 | 113.3 | F166 Y170 D175 H176 Q180 V189 F207 L208 K211 M212 | F166-F178 HydrophobicContact CE2-CZ 4.04Å; F166-F178 AromaticContact CZ-CZ 3.93Å; F166-F178 HydrophobicContact CZ-CZ 3.93Å; Y170-F178 AromaticContact CD2-CE2 3.9Å; Y170-F178 HydrophobicContact CD2-CE2 3.9Å; Y170-F178 AromaticContact CE2-CE2 3.76Å; Y170-F178 HydrophobicContact CE2-CE2 3.76Å; D175-F178 PolarHBondContact O-N 2.91Å; H176-F178 PolarHBondContact O-N 3.15Å; F178-Q180 PolarHBondContact O-N 3.02Å; F178-V189 HydrophobicContact CD1-CG1 4.24Å; F178-V189 HydrophobicContact CD1-CG2 4.12Å; F178-V189 HydrophobicContact CE1-CG1 3.97Å; F178-V189 HydrophobicContact CE1-CG2 4.02Å; F178-F207 HydrophobicContact CZ-CE1 4.31Å; F178-L208 HydrophobicContact CE1-CD2 4.1Å; F178-L208 HydrophobicContact CZ-CD2 4.14Å; F178-K211 HydrophobicContact CD1-CB 3.75Å; F178-K211 HydrophobicContact CD2-CB 3.94Å; F178-K211 HydrophobicContact CD2-CG 4.44Å; F178-K211 HydrophobicContact CE1-CB 3.66Å; F178-K211 HydrophobicContact CE2-CB 3.85Å; F178-K211 HydrophobicContact CE2-CG 4.07Å; F178-K211 HydrophobicContact CG-CB 3.89Å; F178-K211 HydrophobicContact CZ-CB 3.7Å; F178-K211 HydrophobicContact CZ-CG 4.12Å; F178-M212 HydrophobicContact CD1-CG 3.97Å; F178-M212 HydrophobicContact CE1-CG 4.14Å |
| 179 | D | 87.7 | Confident | 92.7 | Very high | 105 Ų | 105 | 71 Ų | 71 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | trans | -70.9 | 78.8 | 175 | -66.1 | -18.9 | 0 | 0 | 0 | 110 | H176 K186 | H176-D179 WeakPolarHBondContact CA-OD2 3.37Å; H176-D179 IonicContact CE1-OD2 2.69Å; H176-D179 IonicContact CG-OD2 3.32Å; H176-D179 IonicContact ND1-OD2 3.67Å; H176-D179 PolarHBondContact ND1-OD2 3.42Å; H176-D179 PolarHBondContact O-N 2.98Å; D179-K186 VanDerWaalsContact O-CE 3.3Å; D179-K186 WeakPolarHBondContact O-CE 3.28Å; D179-K186 PolarHBondContact O-NZ 3.06Å | ||
| 180 | Q | 85.3 | Confident | 92.8 | Very high | 84 Ų | 84 | 70.6 Ų | 70.6 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | trans | -130.2 | 119.4 | 173.3 | -174.6 | 63.6 | 35.7 | 0 | 0 | 109.1 | F178 V184 K186 Q216 | F178-Q180 PolarHBondContact O-N 3.02Å; Q180-V184 WeakPolarHBondContact CG-O 3.17Å; Q180-K186 HydrophobicContact CB-CG 4.13Å; Q180-K186 HydrophobicContact CG-CG 4.35Å; Q180-Q216 PolarHBondContact O-NE2 2.91Å | ||
| 181 | R | 82.6 | Confident | 92.9 | Very high | 242 Ų | 242 | 70.6 Ų | 70.6 | 91% | 0.913 | 37% | 0.37 | S | S | * | . | trans | -73.7 | 132.1 | 170.5 | -66.1 | -175.7 | -178.8 | 179.9 | 0.5 | 108.8 | ||||
| 182 | G | 89.1 | Confident | 93.1 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 55% | 0.546 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 111.1 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q216 | G182-Q216 WeakPolarHBondContact O-CG 3.49Å; G182-Q216 PolarHBondContact O-NE2 3.06Å |
| 183 | I | 92.5 | Very high | 93.4 | Very high | 104 Ų | 104 | 62.1 Ų | 62.1 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -81.8 | -21 | -173.9 | -61.2 | 162.4 | 0 | 0 | 0 | 111.8 | P185 A215 Q216 Y219 | I183-P185 WeakPolarHBondContact O-CD 3.5Å; I183-A215 HydrophobicContact CG1-CB 4.29Å; I183-Q216 WeakPolarHBondContact O-CA 3.38Å; I183-Q216 WeakPolarHBondContact O-CG 3.5Å; I183-Y219 HydrophobicContact CG2-CD2 3.95Å; I183-Y219 HydrophobicContact CG2-CG 3.83Å |
| 184 | V | 93.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -96.4 | 116.9 | -179.9 | -175 | 0 | 0 | 0 | 0 | 109.5 | Q180 Y219 | Q180-V184 WeakPolarHBondContact CG-O 3.17Å; V184-Y219 HydrophobicContact CG1-CE1 4.35Å; V184-Y219 HydrophobicContact CG2-CE1 4.08Å |
| 185 | P | 94.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -72 | 167.2 | 176.8 | 23.1 | -24.9 | 0 | 0 | 0 | 112.1 | I183 V189 A190 Q216 L220 | I183-P185 WeakPolarHBondContact O-CD 3.5Å; P185-V189 HydrophobicContact CB-CB 4.15Å; P185-V189 HydrophobicContact CB-CG1 4.05Å; P185-A190 HydrophobicContact CG-CB 4.23Å; P185-Q216 HydrophobicContact CB-CB 4.47Å; P185-Q216 HydrophobicContact CB-CG 4.49Å; P185-Q216 HydrophobicContact CG-CB 4.34Å; P185-L220 HydrophobicContact CG-CD1 3.53Å; P185-L220 HydrophobicContact CG-CD2 3.86Å; P185-L220 HydrophobicContact CG-CG 3.76Å |
| 186 | K | 95.2 | Very high | 93.8 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 27% | 0.265 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 147.2 | 173 | -63.9 | -174.4 | -171.2 | 164.9 | 0 | 110.6 | H176 L177 D179 Q180 V189 A190 | H176-K186 PolarHBondContact O-NZ 2.91Å; L177-K186 HydrophobicContact CD1-CD 4.27Å; L177-K186 WeakPolarHBondContact O-CD 3.42Å; D179-K186 VanDerWaalsContact O-CE 3.3Å; D179-K186 WeakPolarHBondContact O-CE 3.28Å; D179-K186 PolarHBondContact O-NZ 3.06Å; Q180-K186 HydrophobicContact CB-CG 4.13Å; Q180-K186 HydrophobicContact CG-CG 4.35Å; K186-V189 WeakPolarHBondContact O-CB 3.41Å; K186-V189 PolarHBondContact O-N 3.42Å; K186-A190 PolarHBondContact O-N 3.02Å |
| 187 | Q | 94.8 | Very high | 93.8 | Very high | 152 Ų | 152 | 50.8 Ų | 50.8 | 71% | 0.71 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -54.3 | -40 | -173.1 | -178.2 | -107.9 | -10.8 | 0 | 0 | 114.6 | V189 A190 A191 | Q187-V189 VanDerWaalsContact C-N 3.34Å; Q187-V189 PolarHBondContact O-N 3.39Å; Q187-A190 PolarHBondContact O-N 3.47Å; Q187-A191 VanDerWaalsContact O-CB 3.25Å; Q187-A191 WeakPolarHBondContact O-CB 3.44Å; Q187-A191 PolarHBondContact O-N 3.09Å |
| 188 | P | 96.2 | Very high | 93.7 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.9 | -25.8 | 35.6 | 0 | 0 | 0 | 113.3 | F166 L177 V192 | F166-P188 HydrophobicContact CD2-CB 4.46Å; L177-P188 HydrophobicContact CD1-CB 4.34Å; L177-P188 HydrophobicContact CD1-CG 4.29Å; P188-V192 VanDerWaalsContact O-CG1 3.31Å; P188-V192 WeakPolarHBondContact O-CG1 3.42Å; P188-V192 PolarHBondContact O-N 2.87Å |
| 189 | V | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 178 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | F166 L177 F178 P185 K186 Q187 A191 V192 F193 M212 | F166-V189 HydrophobicContact CE2-CG2 4.19Å; L177-V189 HydrophobicContact CD1-CG2 4.5Å; L177-V189 HydrophobicContact CD2-CG2 4.27Å; L177-V189 HydrophobicContact CG-CG2 3.85Å; F178-V189 HydrophobicContact CD1-CG1 4.24Å; F178-V189 HydrophobicContact CD1-CG2 4.12Å; F178-V189 HydrophobicContact CE1-CG1 3.97Å; F178-V189 HydrophobicContact CE1-CG2 4.02Å; P185-V189 HydrophobicContact CB-CB 4.15Å; P185-V189 HydrophobicContact CB-CG1 4.05Å; K186-V189 WeakPolarHBondContact O-CB 3.41Å; K186-V189 PolarHBondContact O-N 3.42Å; Q187-V189 VanDerWaalsContact C-N 3.34Å; Q187-V189 PolarHBondContact O-N 3.39Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 3.02Å; V189-V192 WeakPolarHBondContact O-CG1 3.39Å; V189-V192 PolarHBondContact O-N 2.69Å; V189-F193 VanDerWaalsContact O-CB 3.3Å; V189-F193 WeakPolarHBondContact O-CB 3.49Å; V189-F193 PolarHBondContact O-N 3.06Å; V189-M212 HydrophobicContact CG1-CG 4.04Å; V189-M212 HydrophobicContact CG1-SD 3.53Å; V189-M212 VanDerWaalsContact CG1-SD 3.53Å |
| 190 | A | 96.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 48 Ų | 48 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P185 K186 Q187 S194 L220 | P185-A190 HydrophobicContact CG-CB 4.23Å; K186-A190 PolarHBondContact O-N 3.02Å; Q187-A190 PolarHBondContact O-N 3.47Å; A190-S194 PolarHBondContact O-N 3.04Å; A190-L220 HydrophobicContact CB-CD2 3.84Å |
| 191 | A | 97 | Very high | 94.3 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -46 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | P162 Q187 V189 W195 | P162-A191 HydrophobicContact CB-CB 4.04Å; Q187-A191 VanDerWaalsContact O-CB 3.25Å; Q187-A191 WeakPolarHBondContact O-CB 3.44Å; Q187-A191 PolarHBondContact O-N 3.09Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 3.02Å; A191-W195 WeakPolarHBondContact O-CB 3.27Å; A191-W195 PolarHBondContact O-N 3.02Å |
| 192 | V | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -38.1 | 178.4 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | L163 F166 P188 V189 W195 A196 L204 L208 | L163-V192 HydrophobicContact CD1-CG2 4.07Å; F166-V192 HydrophobicContact CB-CB 3.72Å; F166-V192 HydrophobicContact CB-CG1 3.9Å; F166-V192 HydrophobicContact CB-CG2 4.06Å; F166-V192 HydrophobicContact CD1-CB 4.37Å; F166-V192 HydrophobicContact CD1-CG1 4.03Å; F166-V192 HydrophobicContact CD1-CG2 4.11Å; F166-V192 HydrophobicContact CD2-CB 4.31Å; F166-V192 HydrophobicContact CD2-CG1 3.52Å; F166-V192 HydrophobicContact CE2-CG1 4.03Å; F166-V192 HydrophobicContact CG-CB 3.88Å; F166-V192 HydrophobicContact CG-CG1 3.52Å; F166-V192 HydrophobicContact CG-CG2 4.11Å; P188-V192 VanDerWaalsContact O-CG1 3.31Å; P188-V192 WeakPolarHBondContact O-CG1 3.42Å; P188-V192 PolarHBondContact O-N 2.87Å; V189-V192 WeakPolarHBondContact O-CG1 3.39Å; V189-V192 PolarHBondContact O-N 2.69Å; V192-W195 PolarHBondContact O-N 3.5Å; V192-A196 VanDerWaalsContact O-CB 3.23Å; V192-A196 WeakPolarHBondContact O-CB 3.27Å; V192-A196 PolarHBondContact O-N 2.92Å; V192-L204 HydrophobicContact CG2-CD1 4.43Å; V192-L204 HydrophobicContact CG2-CD2 3.77Å; V192-L204 HydrophobicContact CG2-CG 4.37Å; V192-L208 HydrophobicContact CG1-CD1 3.77Å; V192-L208 HydrophobicContact CG1-CD2 3.8Å; V192-L208 HydrophobicContact CG1-CG 4.43Å |
| 193 | F | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -52.1 | 177.3 | -174.2 | -86.5 | 0 | 0 | 0 | 110.6 | V189 W195 A196 S197 I205 L208 W209 M212 L220 T221 L241 | V189-F193 VanDerWaalsContact O-CB 3.3Å; V189-F193 WeakPolarHBondContact O-CB 3.49Å; V189-F193 PolarHBondContact O-N 3.06Å; F193-W195 VanDerWaalsContact C-N 3.27Å; F193-W195 PolarHBondContact O-N 2.94Å; F193-A196 PolarHBondContact O-N 3.35Å; F193-S197 PolarHBondContact O-N 2.8Å; F193-S197 PolarHBondContact O-OG 3.42Å; F193-I205 HydrophobicContact CD2-CD1 3.77Å; F193-I205 HydrophobicContact CE2-CD1 3.77Å; F193-I205 HydrophobicContact CG-CD1 4.22Å; F193-I205 HydrophobicContact CZ-CD1 4.21Å; F193-L208 HydrophobicContact CB-CD1 4.11Å; F193-L208 HydrophobicContact CD2-CB 4.28Å; F193-L208 HydrophobicContact CD2-CD1 4.11Å; F193-W209 HydrophobicContact CE2-CE3 4.26Å; F193-W209 HydrophobicContact CZ-CE3 4.46Å; F193-W209 HydrophobicContact CZ-CZ3 4.37Å; F193-M212 HydrophobicContact CD2-CE 3.53Å; F193-M212 HydrophobicContact CE2-CE 3.65Å; F193-M212 HydrophobicContact CG-CE 4.45Å; F193-L220 HydrophobicContact CB-CD1 3.77Å; F193-L220 HydrophobicContact CD1-CB 3.57Å; F193-L220 HydrophobicContact CD1-CD1 3.98Å; F193-L220 HydrophobicContact CD1-CG 4.39Å; F193-L220 HydrophobicContact CD2-CD1 4.33Å; F193-L220 HydrophobicContact CE1-CB 3.7Å; F193-L220 HydrophobicContact CG-CB 4.2Å; F193-L220 HydrophobicContact CG-CD1 3.76Å; F193-L220 HydrophobicContact CZ-CB 4.42Å; F193-T221 WeakPolarHBondContact CZ-OG1 3.38Å; F193-L241 HydrophobicContact CZ-CD2 4.32Å |
| 194 | S | 95.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.2 | -40.5 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | A190 C198 | A190-S194 PolarHBondContact O-N 3.04Å; S194-C198 WeakPolarHBondContact O-CB 3.49Å; S194-C198 PolarHBondContact O-N 3Å; S194-C198 VanDerWaalsContact O-N 3.16Å; S194-C198 PolarHBondContact O-SG 2.86Å |
| 195 | W | 95.7 | Very high | 95.7 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 12% | 0.117 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -46.1 | 177.7 | 177.3 | 92.1 | 0 | 0 | 0 | 111.5 | A81 L82 H161 P162 L163 A191 V192 F193 C198 N199 F201 L204 | A81-W195 HydrophobicContact CB-CZ2 4.08Å; L82-W195 HydrophobicContact CD2-CH2 3.76Å; L82-W195 HydrophobicContact CD2-CZ2 4.25Å; H161-W195 AromaticContact CE1-CE2 3.38Å; H161-W195 AromaticContact CE1-CZ2 3.44Å; H161-W195 VanDerWaalsContact CE1-CZ2 3.44Å; H161-W195 WeakPolarHBondContact CE1-CZ2 3.44Å; H161-W195 AromaticContact CE1-NE1 3.46Å; H161-W195 PolarHBondContact CE1-NE1 3.34Å; H161-W195 AromaticContact NE2-CE2 3.82Å; H161-W195 AromaticContact NE2-CZ2 3.84Å; H161-W195 AromaticContact NE2-NE1 3.57Å; P162-W195 HydrophobicContact CB-CB 4.03Å; P162-W195 HydrophobicContact CB-CG 4.35Å; P162-W195 HydrophobicContact CG-CB 4.34Å; P162-W195 HydrophobicContact CG-CG 4.49Å; L163-W195 HydrophobicContact CB-CE3 4.13Å; L163-W195 HydrophobicContact CB-CH2 4.27Å; L163-W195 HydrophobicContact CB-CZ3 4Å; L163-W195 HydrophobicContact CD1-CE3 4.47Å; L163-W195 HydrophobicContact CD1-CZ3 3.97Å; L163-W195 HydrophobicContact CD2-CH2 3.66Å; L163-W195 HydrophobicContact CD2-CZ2 4.46Å; L163-W195 HydrophobicContact CD2-CZ3 3.82Å; L163-W195 HydrophobicContact CG-CH2 4.42Å; L163-W195 HydrophobicContact CG-CZ3 4.15Å; A191-W195 WeakPolarHBondContact O-CB 3.27Å; A191-W195 PolarHBondContact O-N 3.02Å; V192-W195 PolarHBondContact O-N 3.5Å; F193-W195 VanDerWaalsContact C-N 3.27Å; F193-W195 PolarHBondContact O-N 2.94Å; W195-C198 PolarHBondContact O-N 3.46Å; W195-N199 PolarHBondContact NE1-ND2 2.79Å; W195-N199 PolarHBondContact O-N 3.21Å; W195-N199 VanDerWaalsContact O-N 3.14Å; W195-N199 PolarHBondContact O-ND2 3.36Å; W195-F201 HydrophobicContact CE3-CD2 4.36Å; W195-F201 AromaticContact CH2-CD2 3.4Å; W195-F201 HydrophobicContact CH2-CD2 3.4Å; W195-F201 AromaticContact CH2-CE2 3.19Å; W195-F201 HydrophobicContact CH2-CE2 3.19Å; W195-F201 HydrophobicContact CH2-CG 4.35Å; W195-F201 HydrophobicContact CH2-CZ 4.03Å; W195-F201 HydrophobicContact CZ2-CD2 4.31Å; W195-F201 AromaticContact CZ2-CE2 3.86Å; W195-F201 HydrophobicContact CZ2-CE2 3.86Å; W195-F201 AromaticContact CZ3-CD2 3.43Å; W195-F201 HydrophobicContact CZ3-CD2 3.43Å; W195-F201 VanDerWaalsContact CZ3-CD2 3.43Å; W195-F201 AromaticContact CZ3-CE2 3.79Å; W195-F201 HydrophobicContact CZ3-CE2 3.79Å; W195-F201 HydrophobicContact CZ3-CG 4.19Å; W195-L204 HydrophobicContact CZ3-CD2 4.21Å |
| 196 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V192 F193 C198 N199 G200 F201 L204 I205 | V192-A196 VanDerWaalsContact O-CB 3.23Å; V192-A196 WeakPolarHBondContact O-CB 3.27Å; V192-A196 PolarHBondContact O-N 2.92Å; F193-A196 PolarHBondContact O-N 3.35Å; A196-C198 VanDerWaalsContact C-N 3.32Å; A196-C198 PolarHBondContact O-N 2.69Å; A196-N199 PolarHBondContact O-N 3.48Å; A196-G200 PolarHBondContact O-N 3.28Å; A196-F201 HydrophobicContact CB-CB 4.3Å; A196-F201 PolarHBondContact O-N 2.9Å; A196-F201 VanDerWaalsContact O-N 3.15Å; A196-L204 HydrophobicContact CB-CB 4.44Å; A196-L204 HydrophobicContact CB-CD2 3.79Å; A196-L204 HydrophobicContact CB-CG 4.07Å; A196-I205 HydrophobicContact CB-CD1 3.71Å; A196-I205 HydrophobicContact CB-CG1 3.96Å |
| 197 | S | 95.2 | Very high | 96 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 174.5 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | F193 N199 I205 L228 | F193-S197 PolarHBondContact O-N 2.8Å; F193-S197 PolarHBondContact O-OG 3.42Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 2.94Å; S197-I205 WeakPolarHBondContact OG-CD1 3.25Å; S197-L228 VanDerWaalsContact O-CD2 3.29Å; S197-L228 WeakPolarHBondContact O-CD2 3.48Å |
| 198 | C | 90.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 20.1 Ų | 20.1 | 12% | 0.115 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.3 | -18.3 | -176.5 | -69.3 | 0 | 0 | 0 | 0 | 114.6 | S194 W195 A196 R227 K231 | S194-C198 WeakPolarHBondContact O-CB 3.49Å; S194-C198 PolarHBondContact O-N 3Å; S194-C198 VanDerWaalsContact O-N 3.16Å; S194-C198 PolarHBondContact O-SG 2.86Å; W195-C198 PolarHBondContact O-N 3.46Å; A196-C198 VanDerWaalsContact C-N 3.32Å; A196-C198 PolarHBondContact O-N 2.69Å; C198-R227 VanDerWaalsContact SG-CD 3.57Å; C198-R227 PolarHBondContact SG-NH1 3.31Å; C198-K231 PolarHBondContact O-NZ 3.42Å |
| 199 | N | 92.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 20.3 Ų | 20.3 | 22% | 0.219 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -116.8 | -0.1 | -175 | -66.4 | -75.3 | 0 | 0 | 0 | 114 | R78 A81 W195 A196 S197 F201 | R78-N199 WeakPolarHBondContact CG-O 3.25Å; A81-N199 HydrophobicContact CB-CB 4.19Å; A81-N199 VanDerWaalsContact CB-OD1 3.27Å; A81-N199 WeakPolarHBondContact CB-OD1 3.49Å; W195-N199 PolarHBondContact NE1-ND2 2.79Å; W195-N199 PolarHBondContact O-N 3.21Å; W195-N199 VanDerWaalsContact O-N 3.14Å; W195-N199 PolarHBondContact O-ND2 3.36Å; A196-N199 PolarHBondContact O-N 3.48Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 2.94Å; N199-F201 HydrophobicContact CB-CD2 3.88Å; N199-F201 HydrophobicContact CB-CE2 3.78Å |
| 200 | G | 93.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 17.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | A196 L202 N234 | A196-G200 PolarHBondContact O-N 3.28Å; G200-L202 PolarHBondContact O-N 3.36Å; G200-L202 VanDerWaalsContact O-N 3.13Å; G200-N234 VanDerWaalsContact CA-ND2 3.33Å; G200-N234 WeakPolarHBondContact CA-ND2 3.14Å |
| 201 | F | 95.8 | Very high | 96 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | trans | -87.2 | 82.2 | -176.1 | -69.2 | -75.4 | 0 | 0 | 0 | 112.4 | R78 L82 A136 Y137 W195 A196 N199 E203 L204 I205 | R78-F201 WeakPolarHBondContact O-CZ 3.47Å; L82-F201 HydrophobicContact CD2-CE1 4.35Å; L82-F201 HydrophobicContact CD2-CE2 4.29Å; L82-F201 HydrophobicContact CD2-CZ 3.79Å; L82-F201 HydrophobicContact CG-CZ 4.16Å; A136-F201 HydrophobicContact CB-CD1 3.8Å; A136-F201 HydrophobicContact CB-CE1 3.65Å; A136-F201 HydrophobicContact CB-CZ 4.29Å; Y137-F201 HydrophobicContact CE2-CE1 4.27Å; W195-F201 HydrophobicContact CE3-CD2 4.36Å; W195-F201 AromaticContact CH2-CD2 3.4Å; W195-F201 HydrophobicContact CH2-CD2 3.4Å; W195-F201 AromaticContact CH2-CE2 3.19Å; W195-F201 HydrophobicContact CH2-CE2 3.19Å; W195-F201 HydrophobicContact CH2-CG 4.35Å; W195-F201 HydrophobicContact CH2-CZ 4.03Å; W195-F201 HydrophobicContact CZ2-CD2 4.31Å; W195-F201 AromaticContact CZ2-CE2 3.86Å; W195-F201 HydrophobicContact CZ2-CE2 3.86Å; W195-F201 AromaticContact CZ3-CD2 3.43Å; W195-F201 HydrophobicContact CZ3-CD2 3.43Å; W195-F201 VanDerWaalsContact CZ3-CD2 3.43Å; W195-F201 AromaticContact CZ3-CE2 3.79Å; W195-F201 HydrophobicContact CZ3-CE2 3.79Å; W195-F201 HydrophobicContact CZ3-CG 4.19Å; A196-F201 HydrophobicContact CB-CB 4.3Å; A196-F201 PolarHBondContact O-N 2.9Å; A196-F201 VanDerWaalsContact O-N 3.15Å; N199-F201 HydrophobicContact CB-CD2 3.88Å; N199-F201 HydrophobicContact CB-CE2 3.78Å; F201-E203 PolarHBondContact O-N 3.47Å; F201-L204 HydrophobicContact CB-CB 4.19Å; F201-L204 PolarHBondContact O-N 3.15Å; F201-I205 WeakPolarHBondContact O-CG1 3.33Å; F201-I205 PolarHBondContact O-N 2.65Å; F201-I205 VanDerWaalsContact O-N 3.1Å | ||
| 202 | L | 95.6 | Very high | 95.9 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 11% | 0.105 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.8 | -44.4 | -175.9 | 173 | 58.3 | 0 | 0 | 0 | 113.2 | G200 L204 I205 R206 P236 L237 F240 | G200-L202 PolarHBondContact O-N 3.36Å; G200-L202 VanDerWaalsContact O-N 3.13Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-L204 PolarHBondContact O-N 2.77Å; L202-I205 CarbonylContact O-C 3.56Å; L202-I205 WeakPolarHBondContact O-CA 3.28Å; L202-I205 WeakPolarHBondContact O-CB 3.49Å; L202-I205 PolarHBondContact O-N 3.27Å; L202-I205 VanDerWaalsContact O-N 3.09Å; L202-R206 HydrophobicContact CD1-CG 4.04Å; L202-R206 PolarHBondContact O-N 3.26Å; L202-P236 HydrophobicContact CD2-CB 3.98Å; L202-L237 HydrophobicContact CB-CB 4.47Å; L202-F240 HydrophobicContact CD1-CB 3.7Å; L202-F240 HydrophobicContact CD1-CD1 4.01Å; L202-F240 HydrophobicContact CD1-CG 3.81Å |
| 203 | E | 96.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70 | -32.8 | -173.7 | -45.6 | -39.1 | 151.6 | 0 | 0 | 112.5 | L113 Y137 F201 R206 F207 | L113-E203 HydrophobicContact CB-CG 4.36Å; L113-E203 HydrophobicContact CD1-CG 4.48Å; Y137-E203 HydrophobicContact CD1-CG 4.18Å; F201-E203 PolarHBondContact O-N 3.47Å; E203-R206 PolarHBondContact O-N 3.41Å; E203-R206 IonicContact OE1-NH1 3.31Å; E203-R206 VanDerWaalsContact OE2-CD 3.31Å; E203-R206 WeakPolarHBondContact OE2-CD 3.47Å; E203-R206 IonicContact OE2-CZ 2.56Å; E203-R206 IonicContact OE2-NE 2.69Å; E203-R206 IonicContact OE2-NH1 3.53Å; E203-R206 PolarHBondContact OE2-NH1 3.27Å; E203-F207 WeakPolarHBondContact O-CB 3.39Å; E203-F207 PolarHBondContact O-N 3.26Å |
| 204 | L | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 170 | -179.2 | 57.3 | 0 | 0 | 0 | 111.9 | A136 A138 L163 W167 V192 W195 A196 F201 L202 F207 L208 | A136-L204 WeakPolarHBondContact O-CB 3.22Å; A138-L204 HydrophobicContact CB-CD1 4.47Å; L163-L204 HydrophobicContact CD1-CD2 3.33Å; W167-L204 HydrophobicContact CZ2-CD1 4.01Å; V192-L204 HydrophobicContact CG2-CD1 4.43Å; V192-L204 HydrophobicContact CG2-CD2 3.77Å; V192-L204 HydrophobicContact CG2-CG 4.37Å; W195-L204 HydrophobicContact CZ3-CD2 4.21Å; A196-L204 HydrophobicContact CB-CB 4.44Å; A196-L204 HydrophobicContact CB-CD2 3.79Å; A196-L204 HydrophobicContact CB-CG 4.07Å; F201-L204 HydrophobicContact CB-CB 4.19Å; F201-L204 PolarHBondContact O-N 3.15Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-L204 PolarHBondContact O-N 2.77Å; L204-F207 PolarHBondContact O-N 2.9Å; L204-L208 HydrophobicContact CD1-CD1 4.25Å; L204-L208 HydrophobicContact CD1-CG 4.27Å; L204-L208 HydrophobicContact CG-CD1 4.11Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.42Å |
| 205 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 173.5 | -71.2 | -62.5 | 0 | 0 | 0 | 111 | F193 A196 S197 F201 L202 F207 L208 W209 L237 F240 L241 | F193-I205 HydrophobicContact CD2-CD1 3.77Å; F193-I205 HydrophobicContact CE2-CD1 3.77Å; F193-I205 HydrophobicContact CG-CD1 4.22Å; F193-I205 HydrophobicContact CZ-CD1 4.21Å; A196-I205 HydrophobicContact CB-CD1 3.71Å; A196-I205 HydrophobicContact CB-CG1 3.96Å; S197-I205 WeakPolarHBondContact OG-CD1 3.25Å; F201-I205 WeakPolarHBondContact O-CG1 3.33Å; F201-I205 PolarHBondContact O-N 2.65Å; F201-I205 VanDerWaalsContact O-N 3.1Å; L202-I205 CarbonylContact O-C 3.56Å; L202-I205 WeakPolarHBondContact O-CA 3.28Å; L202-I205 WeakPolarHBondContact O-CB 3.49Å; L202-I205 PolarHBondContact O-N 3.27Å; L202-I205 VanDerWaalsContact O-N 3.09Å; I205-F207 PolarHBondContact O-N 3.14Å; I205-L208 PolarHBondContact O-N 3.26Å; I205-W209 WeakPolarHBondContact O-CB 3.32Å; I205-W209 PolarHBondContact O-N 3.43Å; I205-L237 HydrophobicContact CG1-CD1 3.99Å; I205-F240 HydrophobicContact CG2-CD1 3.89Å; I205-F240 HydrophobicContact CG2-CE1 3.71Å; I205-L241 HydrophobicContact CG2-CD2 3.73Å; I205-L241 HydrophobicContact CG2-CG 4.27Å |
| 206 | R | 97.6 | Very high | 95.4 | Very high | 114 Ų | 114 | 31.6 Ų | 31.6 | 43% | 0.43 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 176.5 | -75.9 | 176.2 | 174.2 | 161.1 | -6.7 | 112.3 | L202 E203 W209 S210 F240 | L202-R206 HydrophobicContact CD1-CG 4.04Å; L202-R206 PolarHBondContact O-N 3.26Å; E203-R206 PolarHBondContact O-N 3.41Å; E203-R206 IonicContact OE1-NH1 3.31Å; E203-R206 VanDerWaalsContact OE2-CD 3.31Å; E203-R206 WeakPolarHBondContact OE2-CD 3.47Å; E203-R206 IonicContact OE2-CZ 2.56Å; E203-R206 IonicContact OE2-NE 2.69Å; E203-R206 IonicContact OE2-NH1 3.53Å; E203-R206 PolarHBondContact OE2-NH1 3.27Å; R206-W209 PolarHBondContact O-N 3.14Å; R206-S210 WeakPolarHBondContact O-CB 3.23Å; R206-S210 PolarHBondContact O-N 3.46Å; R206-F240 HydrophobicContact CG-CD2 4.23Å; R206-F240 HydrophobicContact CG-CE1 4.21Å; R206-F240 HydrophobicContact CG-CE2 3.87Å; R206-F240 HydrophobicContact CG-CZ 3.86Å |
| 207 | F | 97.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 10% | 0.101 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -53 | 175 | 175 | -96.2 | 0 | 0 | 0 | 111.4 | A138 F166 W167 Y170 F178 E203 L204 I205 W209 S210 K211 | A138-F207 HydrophobicContact CB-CB 3.64Å; A138-F207 HydrophobicContact CB-CD2 4.36Å; A138-F207 HydrophobicContact CB-CG 3.96Å; F166-F207 HydrophobicContact CE1-CE1 4.19Å; F166-F207 AromaticContact CZ-CE1 3.98Å; F166-F207 HydrophobicContact CZ-CE1 3.98Å; W167-F207 HydrophobicContact CH2-CD1 4.08Å; W167-F207 AromaticContact CH2-CE1 3.73Å; W167-F207 HydrophobicContact CH2-CE1 3.73Å; W167-F207 HydrophobicContact CH2-CE2 4.2Å; W167-F207 HydrophobicContact CH2-CG 4.47Å; W167-F207 AromaticContact CH2-CZ 3.8Å; W167-F207 HydrophobicContact CH2-CZ 3.8Å; W167-F207 HydrophobicContact CZ2-CD1 4.27Å; W167-F207 HydrophobicContact CZ2-CE1 4.25Å; W167-F207 HydrophobicContact CZ3-CE1 4.33Å; W167-F207 HydrophobicContact CZ3-CZ 4.21Å; Y170-F207 HydrophobicContact CE1-CZ 4.15Å; Y170-F207 HydrophobicContact CE2-CZ 4.14Å; Y170-F207 AromaticContact CZ-CZ 3.79Å; F178-F207 HydrophobicContact CZ-CE1 4.31Å; E203-F207 WeakPolarHBondContact O-CB 3.39Å; E203-F207 PolarHBondContact O-N 3.26Å; L204-F207 PolarHBondContact O-N 2.9Å; I205-F207 PolarHBondContact O-N 3.14Å; F207-W209 PolarHBondContact O-N 3.3Å; F207-S210 PolarHBondContact O-N 3.26Å; F207-S210 PolarHBondContact O-OG 2.87Å; F207-K211 WeakPolarHBondContact O-CG 3.42Å |
| 208 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 178.7 | -65.4 | 167 | 0 | 0 | 0 | 111.4 | F166 F178 V192 F193 L204 I205 S210 K211 M212 | F166-L208 HydrophobicContact CE1-CD2 4.17Å; F166-L208 HydrophobicContact CE2-CD2 3.83Å; F166-L208 HydrophobicContact CZ-CD2 3.57Å; F178-L208 HydrophobicContact CE1-CD2 4.1Å; F178-L208 HydrophobicContact CZ-CD2 4.14Å; V192-L208 HydrophobicContact CG1-CD1 3.77Å; V192-L208 HydrophobicContact CG1-CD2 3.8Å; V192-L208 HydrophobicContact CG1-CG 4.43Å; F193-L208 HydrophobicContact CB-CD1 4.11Å; F193-L208 HydrophobicContact CD2-CB 4.28Å; F193-L208 HydrophobicContact CD2-CD1 4.11Å; L204-L208 HydrophobicContact CD1-CD1 4.25Å; L204-L208 HydrophobicContact CD1-CG 4.27Å; L204-L208 HydrophobicContact CG-CD1 4.11Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.42Å; I205-L208 PolarHBondContact O-N 3.26Å; L208-S210 VanDerWaalsContact C-N 3.3Å; L208-S210 PolarHBondContact O-N 3.47Å; L208-K211 PolarHBondContact O-N 2.91Å; L208-K211 VanDerWaalsContact O-N 3.08Å; L208-M212 HydrophobicContact CB-CE 4.06Å; L208-M212 WeakPolarHBondContact O-CG 3.31Å; L208-M212 PolarHBondContact O-N 3.43Å |
| 209 | W | 96.5 | Very high | 95.6 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | 179.7 | -164.2 | -90.1 | 0 | 0 | 0 | 111.9 | F193 I205 R206 F207 K211 T221 F240 L241 E244 M245 I248 | F193-W209 HydrophobicContact CE2-CE3 4.26Å; F193-W209 HydrophobicContact CZ-CE3 4.46Å; F193-W209 HydrophobicContact CZ-CZ3 4.37Å; I205-W209 WeakPolarHBondContact O-CB 3.32Å; I205-W209 PolarHBondContact O-N 3.43Å; R206-W209 PolarHBondContact O-N 3.14Å; F207-W209 PolarHBondContact O-N 3.3Å; W209-K211 PolarHBondContact O-N 2.95Å; W209-T221 WeakPolarHBondContact CZ3-OG1 3.37Å; W209-F240 HydrophobicContact CB-CE1 4.28Å; W209-F240 HydrophobicContact CB-CZ 4.11Å; W209-F240 HydrophobicContact CD2-CE1 4.27Å; W209-F240 HydrophobicContact CD2-CZ 4.35Å; W209-F240 HydrophobicContact CE3-CE1 4.44Å; W209-F240 HydrophobicContact CG-CE1 4.16Å; W209-F240 AromaticContact CG-CZ 3.91Å; W209-F240 HydrophobicContact CG-CZ 3.91Å; W209-L241 HydrophobicContact CE3-CD2 3.9Å; W209-L241 HydrophobicContact CZ3-CD2 3.67Å; W209-E244 HydrophobicContact CH2-CB 3.94Å; W209-E244 HydrophobicContact CZ2-CB 3.36Å; W209-E244 HydrophobicContact CZ2-CG 4.13Å; W209-E244 PolarHBondContact NE1-OE2 3.48Å; W209-M245 HydrophobicContact CH2-CG 4.27Å; W209-M245 HydrophobicContact CH2-SD 3.89Å; W209-I248 HydrophobicContact CH2-CD1 4.18Å; W209-I248 HydrophobicContact CZ2-CD1 3.75Å |
| 210 | S | 95.9 | Very high | 95.8 | Very high | 90 Ų | 90 | 36 Ų | 36 | 63% | 0.629 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -66.7 | -17.3 | 179.1 | 75.6 | 0 | 0 | 0 | 0 | 114.6 | R206 F207 L208 | R206-S210 WeakPolarHBondContact O-CB 3.23Å; R206-S210 PolarHBondContact O-N 3.46Å; F207-S210 PolarHBondContact O-N 3.26Å; F207-S210 PolarHBondContact O-OG 2.87Å; L208-S210 VanDerWaalsContact C-N 3.3Å; L208-S210 PolarHBondContact O-N 3.47Å |
| 211 | K | 95.7 | Very high | 96 | Very high | 72 Ų | 72 | 35.7 Ų | 35.7 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -106.2 | -26.6 | -175.1 | -66.6 | -72.4 | -175.4 | 167.4 | 0 | 113 | D175 F178 F207 L208 W209 | D175-K211 WeakPolarHBondContact OD1-CE 3.4Å; D175-K211 IonicContact OD1-NZ 3.88Å; D175-K211 PolarHBondContact OD1-NZ 3.4Å; D175-K211 IonicContact OD2-NZ 2.76Å; D175-K211 PolarHBondContact OD2-NZ 3.33Å; F178-K211 HydrophobicContact CD1-CB 3.75Å; F178-K211 HydrophobicContact CD2-CB 3.94Å; F178-K211 HydrophobicContact CD2-CG 4.44Å; F178-K211 HydrophobicContact CE1-CB 3.66Å; F178-K211 HydrophobicContact CE2-CB 3.85Å; F178-K211 HydrophobicContact CE2-CG 4.07Å; F178-K211 HydrophobicContact CG-CB 3.89Å; F178-K211 HydrophobicContact CZ-CB 3.7Å; F178-K211 HydrophobicContact CZ-CG 4.12Å; F207-K211 WeakPolarHBondContact O-CG 3.42Å; L208-K211 PolarHBondContact O-N 2.91Å; L208-K211 VanDerWaalsContact O-N 3.08Å; W209-K211 PolarHBondContact O-N 2.95Å |
| 212 | M | 95.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -83.2 | 139.8 | -178.2 | -70.9 | -174.8 | -56.7 | 0 | 0 | 112 | F178 V189 F193 L208 Q216 S217 L220 | F178-M212 HydrophobicContact CD1-CG 3.97Å; F178-M212 HydrophobicContact CE1-CG 4.14Å; V189-M212 HydrophobicContact CG1-CG 4.04Å; V189-M212 HydrophobicContact CG1-SD 3.53Å; V189-M212 VanDerWaalsContact CG1-SD 3.53Å; F193-M212 HydrophobicContact CD2-CE 3.53Å; F193-M212 HydrophobicContact CE2-CE 3.65Å; F193-M212 HydrophobicContact CG-CE 4.45Å; L208-M212 HydrophobicContact CB-CE 4.06Å; L208-M212 WeakPolarHBondContact O-CG 3.31Å; L208-M212 PolarHBondContact O-N 3.43Å; M212-Q216 HydrophobicContact CB-CB 4.48Å; M212-S217 WeakPolarHBondContact CB-OG 3.48Å; M212-L220 HydrophobicContact CE-CD1 4.34Å; M212-L220 HydrophobicContact SD-CD1 3.74Å |
| 213 | P | 93.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | trans | -57.2 | 145.7 | 166.4 | -23.4 | 33.3 | 0 | 0 | 0 | 111.9 | A215 Q216 S217 | P213-A215 VanDerWaalsContact C-N 3.26Å; P213-A215 PolarHBondContact O-N 3.21Å; P213-A215 VanDerWaalsContact O-N 3.09Å; P213-Q216 PolarHBondContact O-N 2.71Å; P213-S217 PolarHBondContact O-N 3.46Å | ||
| 214 | P | 93.2 | Very high | 95.7 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 58% | 0.584 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -51.8 | -39.5 | -176.3 | -30.2 | 35.3 | 0 | 0 | 0 | 114.8 | Q216 S217 E218 | P214-Q216 VanDerWaalsContact C-N 3.31Å; P214-Q216 PolarHBondContact O-N 3.46Å; P214-S217 PolarHBondContact O-N 3.39Å; P214-E218 WeakPolarHBondContact O-CB 3.34Å; P214-E218 PolarHBondContact O-N 2.8Å |
| 215 | A | 94.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.4 | -34.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I183 P213 Y219 | I183-A215 HydrophobicContact CG1-CB 4.29Å; P213-A215 VanDerWaalsContact C-N 3.26Å; P213-A215 PolarHBondContact O-N 3.21Å; P213-A215 VanDerWaalsContact O-N 3.09Å; A215-Y219 VanDerWaalsContact O-CB 3.3Å; A215-Y219 WeakPolarHBondContact O-CB 3.42Å; A215-Y219 PolarHBondContact O-N 3.31Å; A215-Y219 VanDerWaalsContact O-N 3.07Å |
| 216 | Q | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.9 | -41.8 | 177.2 | -64.3 | -177.3 | -1.7 | 0 | 0 | 111 | Q180 G182 I183 P185 M212 P213 P214 E218 Y219 L220 | Q180-Q216 PolarHBondContact O-NE2 2.91Å; G182-Q216 WeakPolarHBondContact O-CG 3.49Å; G182-Q216 PolarHBondContact O-NE2 3.06Å; I183-Q216 WeakPolarHBondContact O-CA 3.38Å; I183-Q216 WeakPolarHBondContact O-CG 3.5Å; P185-Q216 HydrophobicContact CB-CB 4.47Å; P185-Q216 HydrophobicContact CB-CG 4.49Å; P185-Q216 HydrophobicContact CG-CB 4.34Å; M212-Q216 HydrophobicContact CB-CB 4.48Å; P213-Q216 PolarHBondContact O-N 2.71Å; P214-Q216 VanDerWaalsContact C-N 3.31Å; P214-Q216 PolarHBondContact O-N 3.46Å; Q216-E218 VanDerWaalsContact C-N 3.35Å; Q216-Y219 PolarHBondContact O-N 2.86Å; Q216-L220 WeakPolarHBondContact O-CG 3.42Å; Q216-L220 PolarHBondContact O-N 2.79Å |
| 217 | S | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | M212 P213 P214 T221 | M212-S217 WeakPolarHBondContact CB-OG 3.48Å; P213-S217 PolarHBondContact O-N 3.46Å; P214-S217 PolarHBondContact O-N 3.39Å; S217-T221 VanDerWaalsContact O-CB 3.28Å; S217-T221 WeakPolarHBondContact O-CB 3.47Å; S217-T221 PolarHBondContact O-N 3.47Å; S217-T221 PolarHBondContact O-OG1 2.77Å |
| 218 | E | 95.8 | Very high | 95 | Very high | 50 Ų | 50 | 44 Ų | 44 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -53 | 174.3 | -168.9 | -169.7 | 176 | 0 | 0 | 111.3 | P214 Q216 L220 T221 V222 M245 I248 N249 | P214-E218 WeakPolarHBondContact O-CB 3.34Å; P214-E218 PolarHBondContact O-N 2.8Å; Q216-E218 VanDerWaalsContact C-N 3.35Å; E218-L220 PolarHBondContact O-N 3.1Å; E218-T221 PolarHBondContact O-N 3.04Å; E218-V222 HydrophobicContact CG-CG2 4.36Å; E218-V222 WeakPolarHBondContact O-CG2 3.3Å; E218-V222 PolarHBondContact O-N 3.49Å; E218-M245 HydrophobicContact CB-CE 4.47Å; E218-M245 HydrophobicContact CG-CE 3.79Å; E218-M245 HydrophobicContact CG-SD 4.43Å; E218-I248 HydrophobicContact CB-CG2 4Å; E218-I248 HydrophobicContact CG-CG2 3.87Å; E218-N249 VanDerWaalsContact OE1-CB 3.28Å; E218-N249 WeakPolarHBondContact OE1-CB 3.45Å; E218-N249 PolarHBondContact OE1-ND2 3.32Å |
| 219 | Y | 95.8 | Very high | 94.8 | Very high | 91 Ų | 91 | 44 Ų | 44 | 36% | 0.357 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -54.9 | -52.1 | -178.5 | 172.9 | -101.4 | 0 | 0 | 0 | 112.3 | I183 V184 A215 Q216 T221 V222 L223 | I183-Y219 HydrophobicContact CG2-CD2 3.95Å; I183-Y219 HydrophobicContact CG2-CG 3.83Å; V184-Y219 HydrophobicContact CG1-CE1 4.35Å; V184-Y219 HydrophobicContact CG2-CE1 4.08Å; A215-Y219 VanDerWaalsContact O-CB 3.3Å; A215-Y219 WeakPolarHBondContact O-CB 3.42Å; A215-Y219 PolarHBondContact O-N 3.31Å; A215-Y219 VanDerWaalsContact O-N 3.07Å; Q216-Y219 PolarHBondContact O-N 2.86Å; Y219-T221 VanDerWaalsContact C-N 3.33Å; Y219-T221 PolarHBondContact O-N 3.28Å; Y219-V222 PolarHBondContact O-N 2.94Å; Y219-L223 HydrophobicContact CD1-CD1 4.26Å; Y219-L223 HydrophobicContact CE1-CD1 3.68Å; Y219-L223 HydrophobicContact CE2-CD1 4.32Å; Y219-L223 WeakPolarHBondContact O-CG 3.37Å; Y219-L223 PolarHBondContact O-N 3.02Å |
| 220 | L | 96.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -37.4 | -179.3 | -69.6 | -178.2 | 0 | 0 | 0 | 112.6 | P185 A190 F193 M212 Q216 E218 L223 T224 | P185-L220 HydrophobicContact CG-CD1 3.53Å; P185-L220 HydrophobicContact CG-CD2 3.86Å; P185-L220 HydrophobicContact CG-CG 3.76Å; A190-L220 HydrophobicContact CB-CD2 3.84Å; F193-L220 HydrophobicContact CB-CD1 3.77Å; F193-L220 HydrophobicContact CD1-CB 3.57Å; F193-L220 HydrophobicContact CD1-CD1 3.98Å; F193-L220 HydrophobicContact CD1-CG 4.39Å; F193-L220 HydrophobicContact CD2-CD1 4.33Å; F193-L220 HydrophobicContact CE1-CB 3.7Å; F193-L220 HydrophobicContact CG-CB 4.2Å; F193-L220 HydrophobicContact CG-CD1 3.76Å; F193-L220 HydrophobicContact CZ-CB 4.42Å; M212-L220 HydrophobicContact CE-CD1 4.34Å; M212-L220 HydrophobicContact SD-CD1 3.74Å; Q216-L220 WeakPolarHBondContact O-CG 3.42Å; Q216-L220 PolarHBondContact O-N 2.79Å; E218-L220 PolarHBondContact O-N 3.1Å; L220-L223 PolarHBondContact O-N 2.81Å; L220-T224 PolarHBondContact O-N 3.13Å; L220-T224 PolarHBondContact O-OG1 2.94Å |
| 221 | T | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.9 | -41.2 | -179.4 | -54 | 0 | 0 | 0 | 0 | 111.3 | F193 W209 S217 E218 Y219 L223 T224 W225 L241 M245 | F193-T221 WeakPolarHBondContact CZ-OG1 3.38Å; W209-T221 WeakPolarHBondContact CZ3-OG1 3.37Å; S217-T221 VanDerWaalsContact O-CB 3.28Å; S217-T221 WeakPolarHBondContact O-CB 3.47Å; S217-T221 PolarHBondContact O-N 3.47Å; S217-T221 PolarHBondContact O-OG1 2.77Å; E218-T221 PolarHBondContact O-N 3.04Å; Y219-T221 VanDerWaalsContact C-N 3.33Å; Y219-T221 PolarHBondContact O-N 3.28Å; T221-L223 PolarHBondContact O-N 3.2Å; T221-T224 CarbonylContact O-C 3.56Å; T221-T224 PolarHBondContact O-N 3.02Å; T221-T224 PolarHBondContact O-OG1 2.94Å; T221-W225 HydrophobicContact CG2-CE3 3.66Å; T221-W225 HydrophobicContact CG2-CZ3 4.12Å; T221-W225 WeakPolarHBondContact O-CA 3.23Å; T221-W225 VanDerWaalsContact O-CB 3.31Å; T221-W225 WeakPolarHBondContact O-CB 3.46Å; T221-W225 PolarHBondContact O-N 2.94Å; T221-L241 HydrophobicContact CG2-CB 4.49Å; T221-L241 HydrophobicContact CG2-CD1 4.46Å; T221-L241 HydrophobicContact CG2-CD2 4.39Å; T221-M245 VanDerWaalsContact CB-SD 3.5Å; T221-M245 HydrophobicContact CG2-CE 4.21Å; T221-M245 HydrophobicContact CG2-CG 3.42Å; T221-M245 VanDerWaalsContact CG2-CG 3.42Å; T221-M245 HydrophobicContact CG2-SD 3.68Å |
| 222 | V | 94.2 | Very high | 94.1 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.6 | -39.8 | 175 | 170 | 0 | 0 | 0 | 0 | 111.3 | E218 Y219 T224 W225 M245 I256 | E218-V222 HydrophobicContact CG-CG2 4.36Å; E218-V222 WeakPolarHBondContact O-CG2 3.3Å; E218-V222 PolarHBondContact O-N 3.49Å; Y219-V222 PolarHBondContact O-N 2.94Å; V222-T224 VanDerWaalsContact C-N 3.28Å; V222-T224 PolarHBondContact O-N 3.49Å; V222-W225 PolarHBondContact O-N 3.13Å; V222-M245 HydrophobicContact CG2-CE 3.78Å; V222-I256 HydrophobicContact CG1-CD1 4.39Å |
| 223 | L | 94 | Very high | 93.7 | Very high | 113 Ų | 113 | 51.1 Ų | 51.1 | 59% | 0.592 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.2 | -31.7 | 177.5 | -69 | 177.2 | 0 | 0 | 0 | 113.3 | Y219 L220 T221 | Y219-L223 HydrophobicContact CD1-CD1 4.26Å; Y219-L223 HydrophobicContact CE1-CD1 3.68Å; Y219-L223 HydrophobicContact CE2-CD1 4.32Å; Y219-L223 WeakPolarHBondContact O-CG 3.37Å; Y219-L223 PolarHBondContact O-N 3.02Å; L220-L223 PolarHBondContact O-N 2.81Å; T221-L223 PolarHBondContact O-N 3.2Å |
| 224 | T | 93.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -99.2 | -14.5 | -179 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | L220 T221 V222 N226 R227 L228 | L220-T224 PolarHBondContact O-N 3.13Å; L220-T224 PolarHBondContact O-OG1 2.94Å; T221-T224 CarbonylContact O-C 3.56Å; T221-T224 PolarHBondContact O-N 3.02Å; T221-T224 PolarHBondContact O-OG1 2.94Å; V222-T224 VanDerWaalsContact C-N 3.28Å; V222-T224 PolarHBondContact O-N 3.49Å; T224-N226 PolarHBondContact O-N 3.42Å; T224-R227 WeakPolarHBondContact O-CA 3.31Å; T224-R227 WeakPolarHBondContact O-CB 3.31Å; T224-R227 PolarHBondContact O-N 2.95Å; T224-L228 PolarHBondContact O-N 2.95Å |
| 225 | W | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -51.5 | -169.1 | -165.3 | -106.2 | 0 | 0 | 0 | 113.6 | T221 V222 R227 L228 C229 F238 L241 C242 V253 T257 | T221-W225 HydrophobicContact CG2-CE3 3.66Å; T221-W225 HydrophobicContact CG2-CZ3 4.12Å; T221-W225 WeakPolarHBondContact O-CA 3.23Å; T221-W225 VanDerWaalsContact O-CB 3.31Å; T221-W225 WeakPolarHBondContact O-CB 3.46Å; T221-W225 PolarHBondContact O-N 2.94Å; V222-W225 PolarHBondContact O-N 3.13Å; W225-R227 PolarHBondContact O-N 2.95Å; W225-L228 HydrophobicContact CE3-CD1 4.17Å; W225-L228 HydrophobicContact CZ3-CD1 4.48Å; W225-L228 WeakPolarHBondContact O-CB 3.5Å; W225-L228 PolarHBondContact O-N 3.45Å; W225-C229 PolarHBondContact NE1-SG 2.95Å; W225-C229 VanDerWaalsContact NE1-SG 3.43Å; W225-C229 PolarHBondContact O-N 3.05Å; W225-C229 PolarHBondContact O-SG 3.27Å; W225-C229 VanDerWaalsContact O-SG 3.34Å; W225-F238 HydrophobicContact CH2-CD2 4.36Å; W225-F238 AromaticContact CH2-CE2 3.89Å; W225-F238 HydrophobicContact CH2-CE2 3.89Å; W225-F238 HydrophobicContact CH2-CZ 4.05Å; W225-F238 AromaticContact CZ2-CE2 3.87Å; W225-F238 HydrophobicContact CZ2-CE2 3.87Å; W225-F238 AromaticContact CZ2-CZ 3.85Å; W225-F238 HydrophobicContact CZ2-CZ 3.85Å; W225-L241 HydrophobicContact CZ3-CB 3.78Å; W225-C242 HydrophobicContact CH2-CB 3.86Å; W225-V253 HydrophobicContact CH2-CG1 4.48Å; W225-V253 HydrophobicContact CZ2-CG1 3.62Å; W225-T257 PolarHBondContact NE1-OG1 3.07Å |
| 226 | N | 93.6 | Very high | 93.3 | Very high | 61 Ų | 61 | 47 Ų | 47 | 33% | 0.326 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.4 | -34.9 | 178.5 | 176.1 | 54.5 | 0 | 0 | 0 | 112 | T224 R230 I256 C260 | T224-N226 PolarHBondContact O-N 3.42Å; N226-R230 PolarHBondContact ND2-NE 2.99Å; N226-R230 WeakPolarHBondContact O-CB 3.36Å; N226-R230 VanDerWaalsContact O-CG 3.25Å; N226-R230 WeakPolarHBondContact O-CG 3.39Å; N226-R230 PolarHBondContact O-N 3.31Å; N226-R230 VanDerWaalsContact O-N 3.09Å; N226-R230 PolarHBondContact OD1-NE 2.97Å; N226-I256 HydrophobicContact CB-CG2 4.05Å; N226-C260 PolarHBondContact OD1-SG 3.25Å |
| 227 | R | 93.1 | Very high | 93.3 | Very high | 137 Ų | 137 | 47 Ų | 47 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.5 | -41.9 | 175.9 | -175.1 | -176.6 | -68.6 | 166.5 | 0.4 | 111.3 | C198 T224 W225 R230 K231 | C198-R227 VanDerWaalsContact SG-CD 3.57Å; C198-R227 PolarHBondContact SG-NH1 3.31Å; T224-R227 WeakPolarHBondContact O-CA 3.31Å; T224-R227 WeakPolarHBondContact O-CB 3.31Å; T224-R227 PolarHBondContact O-N 2.95Å; W225-R227 PolarHBondContact O-N 2.95Å; R227-R230 PolarHBondContact O-N 3.37Å; R227-K231 HydrophobicContact CG-CD 4.36Å; R227-K231 HydrophobicContact CG-CG 4.36Å; R227-K231 WeakPolarHBondContact O-CB 3.23Å; R227-K231 PolarHBondContact O-N 3.1Å |
| 228 | L | 93.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 175.3 | -68.9 | 169.6 | 0 | 0 | 0 | 111.1 | S197 T224 W225 R230 K231 A232 L237 F238 L241 | S197-L228 VanDerWaalsContact O-CD2 3.29Å; S197-L228 WeakPolarHBondContact O-CD2 3.48Å; T224-L228 PolarHBondContact O-N 2.95Å; W225-L228 HydrophobicContact CE3-CD1 4.17Å; W225-L228 HydrophobicContact CZ3-CD1 4.48Å; W225-L228 WeakPolarHBondContact O-CB 3.5Å; W225-L228 PolarHBondContact O-N 3.45Å; L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 3.41Å; L228-K231 PolarHBondContact O-N 3.09Å; L228-A232 PolarHBondContact O-N 3.39Å; L228-L237 HydrophobicContact CD2-CD2 3.89Å; L228-F238 HydrophobicContact CB-CD2 4.3Å; L228-L241 HydrophobicContact CD1-CD1 3.67Å |
| 229 | C | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -34 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | W225 C260 Q280 L284 | W225-C229 PolarHBondContact NE1-SG 2.95Å; W225-C229 VanDerWaalsContact NE1-SG 3.43Å; W225-C229 PolarHBondContact O-N 3.05Å; W225-C229 PolarHBondContact O-SG 3.27Å; W225-C229 VanDerWaalsContact O-SG 3.34Å; C229-C260 HydrophobicContact CB-CB 3.86Å; C229-Q280 WeakPolarHBondContact O-CG 3.14Å; C229-Q280 PolarHBondContact O-NE2 3.3Å; C229-L284 HydrophobicContact CB-CD2 4.24Å |
| 230 | R | 92.1 | Very high | 93.4 | Very high | 163 Ų | 163 | 43.4 Ų | 43.4 | 62% | 0.615 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -79.8 | -40.5 | -179.9 | -75.1 | 179.9 | -170 | -159.4 | -1.1 | 113.8 | N226 R227 L228 A232 | N226-R230 PolarHBondContact ND2-NE 2.99Å; N226-R230 WeakPolarHBondContact O-CB 3.36Å; N226-R230 VanDerWaalsContact O-CG 3.25Å; N226-R230 WeakPolarHBondContact O-CG 3.39Å; N226-R230 PolarHBondContact O-N 3.31Å; N226-R230 VanDerWaalsContact O-N 3.09Å; N226-R230 PolarHBondContact OD1-NE 2.97Å; R227-R230 PolarHBondContact O-N 3.37Å; L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 3.41Å; R230-A232 VanDerWaalsContact C-N 3.32Å |
| 231 | K | 90.5 | Very high | 93.4 | Very high | 88 Ų | 88 | 43 Ų | 43 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.1 | -77.6 | -169.9 | 164.3 | -153.2 | 0 | 111.2 | C198 R227 L228 E233 | C198-K231 PolarHBondContact O-NZ 3.42Å; R227-K231 HydrophobicContact CG-CD 4.36Å; R227-K231 HydrophobicContact CG-CG 4.36Å; R227-K231 WeakPolarHBondContact O-CB 3.23Å; R227-K231 PolarHBondContact O-N 3.1Å; L228-K231 PolarHBondContact O-N 3.09Å; K231-E233 HydrophobicContact CB-CB 4.46Å; K231-E233 HydrophobicContact CB-CG 4.41Å; K231-E233 PolarHBondContact O-N 3.42Å |
| 232 | A | 89.7 | Confident | 93.4 | Very high | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | trans | 52.5 | 46.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L228 R230 Q280 F283 | L228-A232 PolarHBondContact O-N 3.39Å; R230-A232 VanDerWaalsContact C-N 3.32Å; A232-Q280 HydrophobicContact CB-CB 4.19Å; A232-Q280 HydrophobicContact CB-CG 4.14Å; A232-F283 VanDerWaalsContact C-CD2 3.42Å; A232-F283 HydrophobicContact CB-CB 3.7Å; A232-F283 HydrophobicContact CB-CD1 3.7Å; A232-F283 HydrophobicContact CB-CD2 4.18Å; A232-F283 HydrophobicContact CB-CE1 4.34Å; A232-F283 HydrophobicContact CB-CG 3.6Å; A232-F283 WeakPolarHBondContact O-CD2 3.4Å; A232-F283 WeakPolarHBondContact O-CE2 3.39Å | ||
| 233 | E | 87.1 | Confident | 93.6 | Very high | 93 Ų | 93 | 44.5 Ų | 44.5 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | trans | -122.3 | 153.5 | -179.3 | -72.9 | 170.3 | 176.9 | 0 | 0 | 109.5 | K231 F283 | K231-E233 HydrophobicContact CB-CB 4.46Å; K231-E233 HydrophobicContact CB-CG 4.41Å; K231-E233 PolarHBondContact O-N 3.42Å; E233-F283 WeakPolarHBondContact O-CZ 3.3Å | ||
| 234 | N | 88.6 | Confident | 93.7 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 17% | 0.171 | 20% | 0.197 | C | C | . | . | trans | 60.9 | 66.1 | 175.9 | -51.1 | -56.2 | 0 | 0 | 0 | 113.1 | R78 G200 L237 F238 | R78-N234 VanDerWaalsContact CD-OD1 3.28Å; R78-N234 WeakPolarHBondContact CD-OD1 3.19Å; R78-N234 PolarHBondContact NH1-OD1 2.77Å; G200-N234 VanDerWaalsContact CA-ND2 3.33Å; G200-N234 WeakPolarHBondContact CA-ND2 3.14Å; N234-L237 HydrophobicContact CB-CB 4.17Å; N234-L237 WeakPolarHBondContact O-CB 3.38Å; N234-L237 PolarHBondContact O-N 2.84Å; N234-F238 PolarHBondContact O-N 3.24Å | ||
| 235 | G | 91.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -49.1 | -45.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L237 F238 A239 Y287 | G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 3.49Å; G235-F238 PolarHBondContact O-N 2.93Å; G235-A239 WeakPolarHBondContact O-CB 3.4Å; G235-A239 PolarHBondContact O-N 3.32Å; G235-Y287 VanDerWaalsContact CA-CE1 3.46Å; G235-Y287 VanDerWaalsContact CA-CG 3.41Å; G235-Y287 WeakPolarHBondContact O-CD1 3.4Å |
| 236 | P | 92.2 | Very high | 93.8 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 44% | 0.442 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.2 | -39.1 | 176.3 | -27.9 | 36.5 | 0 | 0 | 0 | 114.3 | L202 F240 | L202-P236 HydrophobicContact CD2-CB 3.98Å; P236-F240 WeakPolarHBondContact O-CB 3.27Å; P236-F240 PolarHBondContact O-N 3.47Å; P236-F240 VanDerWaalsContact O-N 3.09Å |
| 237 | L | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 175.8 | -178.6 | 153.3 | 0 | 0 | 0 | 111.1 | L202 I205 L228 N234 G235 F240 L241 | L202-L237 HydrophobicContact CB-CB 4.47Å; I205-L237 HydrophobicContact CG1-CD1 3.99Å; L228-L237 HydrophobicContact CD2-CD2 3.89Å; N234-L237 HydrophobicContact CB-CB 4.17Å; N234-L237 WeakPolarHBondContact O-CB 3.38Å; N234-L237 PolarHBondContact O-N 2.84Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 3.49Å; L237-F240 PolarHBondContact O-N 2.98Å; L237-L241 HydrophobicContact CD2-CD1 3.58Å; L237-L241 HydrophobicContact CD2-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.38Å; L237-L241 PolarHBondContact O-N 3.48Å |
| 238 | F | 96.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 177.8 | -177.6 | -88.4 | 0 | 0 | 0 | 111.6 | W225 L228 N234 G235 F240 L241 C242 F283 L284 L292 | W225-F238 HydrophobicContact CH2-CD2 4.36Å; W225-F238 AromaticContact CH2-CE2 3.89Å; W225-F238 HydrophobicContact CH2-CE2 3.89Å; W225-F238 HydrophobicContact CH2-CZ 4.05Å; W225-F238 AromaticContact CZ2-CE2 3.87Å; W225-F238 HydrophobicContact CZ2-CE2 3.87Å; W225-F238 AromaticContact CZ2-CZ 3.85Å; W225-F238 HydrophobicContact CZ2-CZ 3.85Å; L228-F238 HydrophobicContact CB-CD2 4.3Å; N234-F238 PolarHBondContact O-N 3.24Å; G235-F238 PolarHBondContact O-N 2.93Å; F238-F240 PolarHBondContact O-N 3.31Å; F238-L241 PolarHBondContact O-N 3.29Å; F238-C242 HydrophobicContact CD1-CB 4.4Å; F238-C242 HydrophobicContact CE1-CB 4.2Å; F238-C242 WeakPolarHBondContact O-CB 3.46Å; F238-C242 PolarHBondContact O-N 3.14Å; F238-F283 HydrophobicContact CB-CE1 3.76Å; F238-F283 HydrophobicContact CB-CZ 3.48Å; F238-F283 VanDerWaalsContact CB-CZ 3.48Å; F238-F283 AromaticContact CD1-CE1 3.88Å; F238-F283 HydrophobicContact CD1-CE1 3.88Å; F238-F283 HydrophobicContact CD1-CZ 4.38Å; F238-F283 AromaticContact CD2-CE1 3.66Å; F238-F283 HydrophobicContact CD2-CE1 3.66Å; F238-F283 HydrophobicContact CD2-CZ 4.21Å; F238-F283 HydrophobicContact CE1-CE1 4.41Å; F238-F283 HydrophobicContact CE2-CE1 4.21Å; F238-F283 AromaticContact CG-CE1 3.47Å; F238-F283 HydrophobicContact CG-CE1 3.47Å; F238-F283 VanDerWaalsContact CG-CE1 3.47Å; F238-F283 AromaticContact CG-CZ 3.78Å; F238-F283 HydrophobicContact CG-CZ 3.78Å; F238-L284 HydrophobicContact CE1-CD2 4.21Å; F238-L284 HydrophobicContact CE2-CD2 4.01Å; F238-L284 HydrophobicContact CZ-CD2 3.55Å; F238-L292 HydrophobicContact CE1-CD2 4.45Å; F238-L292 HydrophobicContact CZ-CD2 4.38Å |
| 239 | A | 96.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G235 C242 D243 Y287 | G235-A239 WeakPolarHBondContact O-CB 3.4Å; G235-A239 PolarHBondContact O-N 3.32Å; A239-C242 WeakPolarHBondContact O-CB 3.47Å; A239-C242 PolarHBondContact O-N 3.38Å; A239-D243 PolarHBondContact O-N 2.96Å; A239-Y287 WeakPolarHBondContact CA-O 3.22Å; A239-Y287 HydrophobicContact CB-CD1 4.42Å |
| 240 | F | 97 | Very high | 93.9 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -53 | 175.6 | 171.9 | -98.5 | 0 | 0 | 0 | 112.2 | L202 I205 R206 W209 P236 L237 F238 C242 D243 E244 | L202-F240 HydrophobicContact CD1-CB 3.7Å; L202-F240 HydrophobicContact CD1-CD1 4.01Å; L202-F240 HydrophobicContact CD1-CG 3.81Å; I205-F240 HydrophobicContact CG2-CD1 3.89Å; I205-F240 HydrophobicContact CG2-CE1 3.71Å; R206-F240 HydrophobicContact CG-CD2 4.23Å; R206-F240 HydrophobicContact CG-CE1 4.21Å; R206-F240 HydrophobicContact CG-CE2 3.87Å; R206-F240 HydrophobicContact CG-CZ 3.86Å; W209-F240 HydrophobicContact CB-CE1 4.28Å; W209-F240 HydrophobicContact CB-CZ 4.11Å; W209-F240 HydrophobicContact CD2-CE1 4.27Å; W209-F240 HydrophobicContact CD2-CZ 4.35Å; W209-F240 HydrophobicContact CE3-CE1 4.44Å; W209-F240 HydrophobicContact CG-CE1 4.16Å; W209-F240 AromaticContact CG-CZ 3.91Å; W209-F240 HydrophobicContact CG-CZ 3.91Å; P236-F240 WeakPolarHBondContact O-CB 3.27Å; P236-F240 PolarHBondContact O-N 3.47Å; P236-F240 VanDerWaalsContact O-N 3.09Å; L237-F240 PolarHBondContact O-N 2.98Å; F238-F240 PolarHBondContact O-N 3.31Å; F240-C242 VanDerWaalsContact C-N 3.29Å; F240-C242 PolarHBondContact O-N 2.8Å; F240-D243 PolarHBondContact O-N 2.75Å; F240-E244 HydrophobicContact CD2-CG 4.34Å; F240-E244 HydrophobicContact CE1-CG 4.3Å; F240-E244 HydrophobicContact CE2-CG 3.88Å; F240-E244 HydrophobicContact CZ-CG 3.85Å; F240-E244 WeakPolarHBondContact O-CG 3.24Å; F240-E244 PolarHBondContact O-N 2.76Å; F240-E244 VanDerWaalsContact O-N 3.09Å |
| 241 | L | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | -179.7 | -69.5 | 176.9 | 0 | 0 | 0 | 112 | F193 I205 W209 T221 W225 L228 L237 F238 M245 | F193-L241 HydrophobicContact CZ-CD2 4.32Å; I205-L241 HydrophobicContact CG2-CD2 3.73Å; I205-L241 HydrophobicContact CG2-CG 4.27Å; W209-L241 HydrophobicContact CE3-CD2 3.9Å; W209-L241 HydrophobicContact CZ3-CD2 3.67Å; T221-L241 HydrophobicContact CG2-CB 4.49Å; T221-L241 HydrophobicContact CG2-CD1 4.46Å; T221-L241 HydrophobicContact CG2-CD2 4.39Å; W225-L241 HydrophobicContact CZ3-CB 3.78Å; L228-L241 HydrophobicContact CD1-CD1 3.67Å; L237-L241 HydrophobicContact CD2-CD1 3.58Å; L237-L241 HydrophobicContact CD2-CG 4.36Å; L237-L241 HydrophobicContact CG-CD1 4.38Å; L237-L241 PolarHBondContact O-N 3.48Å; F238-L241 PolarHBondContact O-N 3.29Å; L241-M245 WeakPolarHBondContact O-CB 3.28Å; L241-M245 WeakPolarHBondContact O-CG 3.49Å; L241-M245 PolarHBondContact O-N 3.46Å |
| 242 | C | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 176.2 | -174 | 0 | 0 | 0 | 0 | 111.2 | W225 F238 A239 F240 E244 C246 C289 L292 | W225-C242 HydrophobicContact CH2-CB 3.86Å; F238-C242 HydrophobicContact CD1-CB 4.4Å; F238-C242 HydrophobicContact CE1-CB 4.2Å; F238-C242 WeakPolarHBondContact O-CB 3.46Å; F238-C242 PolarHBondContact O-N 3.14Å; A239-C242 WeakPolarHBondContact O-CB 3.47Å; A239-C242 PolarHBondContact O-N 3.38Å; F240-C242 VanDerWaalsContact C-N 3.29Å; F240-C242 PolarHBondContact O-N 2.8Å; C242-E244 VanDerWaalsContact C-N 3.35Å; C242-E244 PolarHBondContact O-N 3Å; C242-C246 VanDerWaalsContact O-CB 3.22Å; C242-C246 WeakPolarHBondContact O-CB 3.47Å; C242-C246 PolarHBondContact O-N 3.08Å; C242-C246 PolarHBondContact O-SG 3.37Å; C242-C246 VanDerWaalsContact O-SG 3.35Å; C242-C289 PolarHBondContact SG-N 3.34Å; C242-C289 VanDerWaalsContact SG-N 3.36Å; C242-C289 VanDerWaalsContact SG-SG 3.66Å; C242-L292 WeakPolarHBondContact SG-CD2 3.46Å |
| 243 | D | 96.8 | Very high | 94.2 | Very high | 78 Ų | 78 | 40.7 Ų | 40.7 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 178.8 | -79.3 | -21 | 0 | 0 | 0 | 111.3 | A239 F240 K247 C289 | A239-D243 PolarHBondContact O-N 2.96Å; F240-D243 PolarHBondContact O-N 2.75Å; D243-K247 WeakPolarHBondContact O-CG 3.28Å; D243-K247 PolarHBondContact O-N 3.44Å; D243-C289 WeakPolarHBondContact OD1-CB 3.19Å |
| 244 | E | 96.6 | Very high | 94.6 | Very high | 44 Ų | 44 | 37.3 Ų | 37.3 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69 | -43.6 | -179.2 | -69.3 | -61 | 116.4 | 0 | 0 | 112.4 | W209 F240 C242 C246 K247 I248 | W209-E244 HydrophobicContact CH2-CB 3.94Å; W209-E244 HydrophobicContact CZ2-CB 3.36Å; W209-E244 HydrophobicContact CZ2-CG 4.13Å; W209-E244 PolarHBondContact NE1-OE2 3.48Å; F240-E244 HydrophobicContact CD2-CG 4.34Å; F240-E244 HydrophobicContact CE1-CG 4.3Å; F240-E244 HydrophobicContact CE2-CG 3.88Å; F240-E244 HydrophobicContact CZ-CG 3.85Å; F240-E244 WeakPolarHBondContact O-CG 3.24Å; F240-E244 PolarHBondContact O-N 2.76Å; F240-E244 VanDerWaalsContact O-N 3.09Å; C242-E244 VanDerWaalsContact C-N 3.35Å; C242-E244 PolarHBondContact O-N 3Å; E244-C246 PolarHBondContact O-N 2.97Å; E244-K247 WeakPolarHBondContact O-CB 3.33Å; E244-K247 PolarHBondContact O-N 2.78Å; E244-K247 IonicContact OE1-NZ 3.66Å; E244-K247 PolarHBondContact OE1-NZ 3.34Å; E244-I248 PolarHBondContact O-N 3.39Å |
| 245 | M | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.2 | -34.1 | 178.3 | -72.4 | -65.2 | -65.1 | 0 | 0 | 112.7 | W209 E218 T221 V222 L241 K247 I248 N249 V253 | W209-M245 HydrophobicContact CH2-CG 4.27Å; W209-M245 HydrophobicContact CH2-SD 3.89Å; E218-M245 HydrophobicContact CB-CE 4.47Å; E218-M245 HydrophobicContact CG-CE 3.79Å; E218-M245 HydrophobicContact CG-SD 4.43Å; T221-M245 VanDerWaalsContact CB-SD 3.5Å; T221-M245 HydrophobicContact CG2-CE 4.21Å; T221-M245 HydrophobicContact CG2-CG 3.42Å; T221-M245 VanDerWaalsContact CG2-CG 3.42Å; T221-M245 HydrophobicContact CG2-SD 3.68Å; V222-M245 HydrophobicContact CG2-CE 3.78Å; L241-M245 WeakPolarHBondContact O-CB 3.28Å; L241-M245 WeakPolarHBondContact O-CG 3.49Å; L241-M245 PolarHBondContact O-N 3.46Å; M245-K247 PolarHBondContact O-N 3.37Å; M245-I248 PolarHBondContact O-N 3.28Å; M245-I248 VanDerWaalsContact O-N 3.1Å; M245-N249 CarbonylContact O-C 3.58Å; M245-N249 PolarHBondContact O-N 3.18Å; M245-V253 HydrophobicContact CB-CG2 3.5Å; M245-V253 HydrophobicContact CE-CG2 4.24Å |
| 246 | C | 95.4 | Very high | 95 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.6 | -15.3 | 174 | -77.7 | 0 | 0 | 0 | 0 | 113.6 | C242 E244 D250 C289 | C242-C246 VanDerWaalsContact O-CB 3.22Å; C242-C246 WeakPolarHBondContact O-CB 3.47Å; C242-C246 PolarHBondContact O-N 3.08Å; C242-C246 PolarHBondContact O-SG 3.37Å; C242-C246 VanDerWaalsContact O-SG 3.35Å; E244-C246 PolarHBondContact O-N 2.97Å; C246-D250 HydrophobicContact CB-CB 4.32Å; C246-C289 PolarHBondContact SG-SG 2.99Å |
| 247 | K | 95 | Very high | 95.2 | Very high | 149 Ų | 149 | 39.4 Ų | 39.4 | 65% | 0.648 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -80 | -31.2 | 168.5 | -66 | 165 | -166.5 | 171.7 | 0 | 111.8 | D243 E244 M245 | D243-K247 WeakPolarHBondContact O-CG 3.28Å; D243-K247 PolarHBondContact O-N 3.44Å; E244-K247 WeakPolarHBondContact O-CB 3.33Å; E244-K247 PolarHBondContact O-N 2.78Å; E244-K247 IonicContact OE1-NZ 3.66Å; E244-K247 PolarHBondContact OE1-NZ 3.34Å; M245-K247 PolarHBondContact O-N 3.37Å |
| 248 | I | 94.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 32% | 0.323 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -88.1 | -50.9 | -177.5 | -59.9 | 171.3 | 0 | 0 | 0 | 111.6 | W209 E218 E244 M245 | W209-I248 HydrophobicContact CH2-CD1 4.18Å; W209-I248 HydrophobicContact CZ2-CD1 3.75Å; E218-I248 HydrophobicContact CB-CG2 4Å; E218-I248 HydrophobicContact CG-CG2 3.87Å; E244-I248 PolarHBondContact O-N 3.39Å; M245-I248 PolarHBondContact O-N 3.28Å; M245-I248 VanDerWaalsContact O-N 3.1Å |
| 249 | N | 93.3 | Very high | 95.2 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | trans | -154.5 | 74.8 | -172.2 | -170.3 | -15.1 | 0 | 0 | 0 | 111.3 | E218 M245 V251 N252 V253 | E218-N249 VanDerWaalsContact OE1-CB 3.28Å; E218-N249 WeakPolarHBondContact OE1-CB 3.45Å; E218-N249 PolarHBondContact OE1-ND2 3.32Å; M245-N249 CarbonylContact O-C 3.58Å; M245-N249 PolarHBondContact O-N 3.18Å; N249-V251 VanDerWaalsContact C-N 3.32Å; N249-V251 PolarHBondContact O-N 3.29Å; N249-N252 WeakPolarHBondContact OD1-CB 3.25Å; N249-N252 PolarHBondContact OD1-N 3.41Å; N249-V253 VanDerWaalsContact O-CG2 3.28Å; N249-V253 WeakPolarHBondContact O-CG2 3.18Å; N249-V253 PolarHBondContact O-N 3.35Å | ||
| 250 | D | 94.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 31% | 0.31 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.3 | -37 | 178.8 | 53.2 | 9.4 | 0 | 0 | 0 | 113 | C246 N252 V253 C254 K291 | C246-D250 HydrophobicContact CB-CB 4.32Å; D250-N252 PolarHBondContact O-N 3.19Å; D250-V253 PolarHBondContact O-N 2.8Å; D250-C254 VanDerWaalsContact O-CB 3.27Å; D250-C254 WeakPolarHBondContact O-CB 3.4Å; D250-C254 PolarHBondContact O-N 3.27Å; D250-C254 PolarHBondContact O-SG 3.32Å; D250-K291 IonicContact OD2-NZ 3.09Å; D250-K291 PolarHBondContact OD2-NZ 3.41Å |
| 251 | V | 93.7 | Very high | 95.1 | Very high | 106 Ų | 106 | 43 Ų | 43 | 64% | 0.642 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -55.2 | -50.8 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | N249 R255 | N249-V251 VanDerWaalsContact C-N 3.32Å; N249-V251 PolarHBondContact O-N 3.29Å; V251-R255 WeakPolarHBondContact O-CB 3.44Å; V251-R255 PolarHBondContact O-N 2.9Å |
| 252 | N | 90.9 | Very high | 95 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.4 | -38.4 | -176.3 | -158.1 | 21.6 | 0 | 0 | 0 | 111.8 | N249 D250 R255 I256 | N249-N252 WeakPolarHBondContact OD1-CB 3.25Å; N249-N252 PolarHBondContact OD1-N 3.41Å; D250-N252 PolarHBondContact O-N 3.19Å; N252-R255 PolarHBondContact O-N 3.23Å; N252-R255 PolarHBondContact OD1-NE 3.32Å; N252-R255 PolarHBondContact OD1-NH2 3.41Å; N252-I256 WeakPolarHBondContact O-CG1 3.33Å; N252-I256 PolarHBondContact O-N 2.99Å |
| 253 | V | 94.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -49.5 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | W225 M245 N249 D250 R255 T257 L292 | W225-V253 HydrophobicContact CH2-CG1 4.48Å; W225-V253 HydrophobicContact CZ2-CG1 3.62Å; M245-V253 HydrophobicContact CB-CG2 3.5Å; M245-V253 HydrophobicContact CE-CG2 4.24Å; N249-V253 VanDerWaalsContact O-CG2 3.28Å; N249-V253 WeakPolarHBondContact O-CG2 3.18Å; N249-V253 PolarHBondContact O-N 3.35Å; D250-V253 PolarHBondContact O-N 2.8Å; V253-R255 PolarHBondContact O-N 3.25Å; V253-T257 VanDerWaalsContact O-CB 3.29Å; V253-T257 WeakPolarHBondContact O-CB 3.32Å; V253-T257 PolarHBondContact O-N 3.13Å; V253-T257 PolarHBondContact O-OG1 3.07Å; V253-L292 HydrophobicContact CG1-CD1 4.38Å |
| 254 | C | 95.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 14% | 0.142 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 178.7 | -72.4 | 0 | 0 | 0 | 0 | 111 | D250 S258 L292 A295 | D250-C254 VanDerWaalsContact O-CB 3.27Å; D250-C254 WeakPolarHBondContact O-CB 3.4Å; D250-C254 PolarHBondContact O-N 3.27Å; D250-C254 PolarHBondContact O-SG 3.32Å; C254-S258 WeakPolarHBondContact O-CB 3.25Å; C254-S258 PolarHBondContact O-N 3.49Å; C254-S258 PolarHBondContact O-OG 2.72Å; C254-L292 HydrophobicContact CB-CD1 4.5Å; C254-A295 HydrophobicContact CB-CB 4.09Å |
| 255 | R | 93.9 | Very high | 94.9 | Very high | 131 Ų | 131 | 44.1 Ų | 44.1 | 49% | 0.494 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -51.1 | 179.8 | -173.3 | -174.3 | 65.6 | 83.7 | 4.3 | 112.6 | V251 N252 V253 S258 Q259 | V251-R255 WeakPolarHBondContact O-CB 3.44Å; V251-R255 PolarHBondContact O-N 2.9Å; N252-R255 PolarHBondContact O-N 3.23Å; N252-R255 PolarHBondContact OD1-NE 3.32Å; N252-R255 PolarHBondContact OD1-NH2 3.41Å; V253-R255 PolarHBondContact O-N 3.25Å; R255-S258 PolarHBondContact O-N 3.28Å; R255-Q259 PolarHBondContact O-N 3.02Å |
| 256 | I | 94.5 | Very high | 94.8 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | -178.5 | -62.7 | 167.8 | 0 | 0 | 0 | 110.3 | V222 N226 N252 S258 Q259 C260 | V222-I256 HydrophobicContact CG1-CD1 4.39Å; N226-I256 HydrophobicContact CB-CG2 4.05Å; N252-I256 WeakPolarHBondContact O-CG1 3.33Å; N252-I256 PolarHBondContact O-N 2.99Å; I256-S258 PolarHBondContact O-N 3.02Å; I256-Q259 PolarHBondContact O-N 3.05Å; I256-C260 PolarHBondContact O-N 2.98Å |
| 257 | T | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 179.9 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | W225 V253 Q259 C260 F261 L284 L292 L296 | W225-T257 PolarHBondContact NE1-OG1 3.07Å; V253-T257 VanDerWaalsContact O-CB 3.29Å; V253-T257 WeakPolarHBondContact O-CB 3.32Å; V253-T257 PolarHBondContact O-N 3.13Å; V253-T257 PolarHBondContact O-OG1 3.07Å; T257-Q259 VanDerWaalsContact C-N 3.28Å; T257-Q259 PolarHBondContact O-N 3.08Å; T257-C260 WeakPolarHBondContact O-CB 3.39Å; T257-C260 PolarHBondContact O-N 3.13Å; T257-C260 VanDerWaalsContact O-N 3.1Å; T257-F261 VanDerWaalsContact O-CB 3.3Å; T257-F261 WeakPolarHBondContact O-CB 3.45Å; T257-F261 PolarHBondContact O-N 3.05Å; T257-L284 HydrophobicContact CG2-CD1 4.23Å; T257-L284 HydrophobicContact CG2-CD2 3.82Å; T257-L292 HydrophobicContact CG2-CD1 4.11Å; T257-L292 HydrophobicContact CG2-CD2 4.14Å; T257-L296 HydrophobicContact CG2-CD1 3.8Å; T257-L296 HydrophobicContact CG2-CD2 3.83Å; T257-L296 HydrophobicContact CG2-CG 4.38Å |
| 258 | S | 95.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 112 | C254 R255 I256 F261 L262 | C254-S258 WeakPolarHBondContact O-CB 3.25Å; C254-S258 PolarHBondContact O-N 3.49Å; C254-S258 PolarHBondContact O-OG 2.72Å; R255-S258 PolarHBondContact O-N 3.28Å; I256-S258 PolarHBondContact O-N 3.02Å; S258-F261 PolarHBondContact O-N 3.1Å; S258-L262 WeakPolarHBondContact O-CB 3.43Å; S258-L262 WeakPolarHBondContact O-CG 3.18Å; S258-L262 PolarHBondContact O-N 3.01Å |
| 259 | Q | 94.6 | Very high | 94.7 | Very high | 119 Ų | 119 | 46.9 Ų | 46.9 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.7 | -43.8 | 175.4 | -69.2 | -179.5 | -18.8 | 0 | 0 | 112 | R255 I256 T257 H263 | R255-Q259 PolarHBondContact O-N 3.02Å; I256-Q259 PolarHBondContact O-N 3.05Å; T257-Q259 VanDerWaalsContact C-N 3.28Å; T257-Q259 PolarHBondContact O-N 3.08Å; Q259-H263 WeakPolarHBondContact O-CB 3.49Å; Q259-H263 PolarHBondContact O-N 3.4Å; Q259-H263 VanDerWaalsContact O-N 3.12Å |
| 260 | C | 95.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | N226 C229 I256 T257 H263 A264 | N226-C260 PolarHBondContact OD1-SG 3.25Å; C229-C260 HydrophobicContact CB-CB 3.86Å; I256-C260 PolarHBondContact O-N 2.98Å; T257-C260 WeakPolarHBondContact O-CB 3.39Å; T257-C260 PolarHBondContact O-N 3.13Å; T257-C260 VanDerWaalsContact O-N 3.1Å; C260-H263 PolarHBondContact O-N 2.85Å; C260-A264 WeakPolarHBondContact O-CB 3.21Å; C260-A264 PolarHBondContact O-N 3.42Å |
| 261 | F | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | -177.7 | -173.1 | -108.8 | 0 | 0 | 0 | 112.4 | T257 S258 A264 S265 V281 L284 L285 L296 V304 | T257-F261 VanDerWaalsContact O-CB 3.3Å; T257-F261 WeakPolarHBondContact O-CB 3.45Å; T257-F261 PolarHBondContact O-N 3.05Å; S258-F261 PolarHBondContact O-N 3.1Å; F261-A264 PolarHBondContact O-N 3.04Å; F261-S265 WeakPolarHBondContact O-CB 3.49Å; F261-S265 PolarHBondContact O-N 3.14Å; F261-S265 PolarHBondContact O-OG 3.47Å; F261-V281 HydrophobicContact CE2-CB 4.39Å; F261-V281 HydrophobicContact CE2-CG1 3.86Å; F261-V281 HydrophobicContact CE2-CG2 4.45Å; F261-V281 HydrophobicContact CZ-CG1 4.28Å; F261-L284 HydrophobicContact CB-CD1 4.08Å; F261-L284 HydrophobicContact CD2-CB 4.01Å; F261-L284 HydrophobicContact CD2-CD1 3.91Å; F261-L284 HydrophobicContact CE2-CB 4.44Å; F261-L285 HydrophobicContact CE2-CD1 4.39Å; F261-L285 HydrophobicContact CE2-CD2 4.11Å; F261-L285 HydrophobicContact CE2-CG 3.89Å; F261-L285 HydrophobicContact CZ-CD1 4.32Å; F261-L285 HydrophobicContact CZ-CD2 3.91Å; F261-L285 HydrophobicContact CZ-CG 4.06Å; F261-L296 HydrophobicContact CB-CD2 3.97Å; F261-L296 HydrophobicContact CD1-CB 4.08Å; F261-L296 HydrophobicContact CD1-CD2 4.42Å; F261-L296 HydrophobicContact CD2-CD1 4.35Å; F261-L296 HydrophobicContact CE1-CB 4.18Å; F261-L296 HydrophobicContact CG-CB 4.4Å; F261-L296 HydrophobicContact CG-CD1 4.38Å; F261-L296 HydrophobicContact CG-CD2 4.24Å; F261-V304 HydrophobicContact CE1-CB 3.76Å; F261-V304 HydrophobicContact CE1-CG1 3.76Å; F261-V304 HydrophobicContact CE1-CG2 4.06Å; F261-V304 HydrophobicContact CE2-CG2 4.44Å; F261-V304 HydrophobicContact CZ-CB 3.89Å; F261-V304 HydrophobicContact CZ-CG1 3.89Å; F261-V304 HydrophobicContact CZ-CG2 3.67Å |
| 262 | L | 95.4 | Very high | 94 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 173.9 | -77.1 | 177.7 | 0 | 0 | 0 | 111.8 | S258 A264 S265 W266 T299 D300 R303 | S258-L262 WeakPolarHBondContact O-CB 3.43Å; S258-L262 WeakPolarHBondContact O-CG 3.18Å; S258-L262 PolarHBondContact O-N 3.01Å; L262-A264 VanDerWaalsContact C-N 3.3Å; L262-A264 PolarHBondContact O-N 3.45Å; L262-S265 WeakPolarHBondContact O-CB 3.33Å; L262-S265 PolarHBondContact O-N 2.83Å; L262-S265 VanDerWaalsContact O-N 3.13Å; L262-W266 PolarHBondContact O-N 3.35Å; L262-T299 HydrophobicContact CD1-CG2 3.5Å; L262-T299 HydrophobicContact CD2-CG2 3.74Å; L262-T299 HydrophobicContact CG-CG2 3.55Å; L262-D300 HydrophobicContact CD1-CB 4.27Å; L262-D300 HydrophobicContact CD2-CB 3.54Å; L262-R303 HydrophobicContact CD2-CB 4.23Å |
| 263 | H | 94.8 | Very high | 93.9 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 178.7 | -176.9 | 77.2 | 0 | 0 | 0 | 111.7 | Q259 C260 R267 | Q259-H263 WeakPolarHBondContact O-CB 3.49Å; Q259-H263 PolarHBondContact O-N 3.4Å; Q259-H263 VanDerWaalsContact O-N 3.12Å; C260-H263 PolarHBondContact O-N 2.85Å; H263-R267 PolarHBondContact NE2-NH1 3.43Å; H263-R267 PolarHBondContact O-N 3.09Å |
| 264 | A | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C260 F261 L262 W266 R267 L268 A277 Q280 V281 | C260-A264 WeakPolarHBondContact O-CB 3.21Å; C260-A264 PolarHBondContact O-N 3.42Å; F261-A264 PolarHBondContact O-N 3.04Å; L262-A264 VanDerWaalsContact C-N 3.3Å; L262-A264 PolarHBondContact O-N 3.45Å; A264-W266 VanDerWaalsContact C-N 3.33Å; A264-W266 PolarHBondContact O-N 2.99Å; A264-R267 PolarHBondContact O-N 3.34Å; A264-L268 PolarHBondContact O-N 3.36Å; A264-A277 WeakPolarHBondContact O-CB 3.41Å; A264-Q280 HydrophobicContact CB-CB 4.02Å; A264-Q280 HydrophobicContact CB-CG 3.98Å; A264-Q280 VanDerWaalsContact CB-OE1 3.28Å; A264-V281 HydrophobicContact CB-CG2 3.71Å |
| 265 | S | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | -179.1 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | F261 L262 R267 L268 V304 M307 | F261-S265 WeakPolarHBondContact O-CB 3.49Å; F261-S265 PolarHBondContact O-N 3.14Å; F261-S265 PolarHBondContact O-OG 3.47Å; L262-S265 WeakPolarHBondContact O-CB 3.33Å; L262-S265 PolarHBondContact O-N 2.83Å; L262-S265 VanDerWaalsContact O-N 3.13Å; S265-R267 VanDerWaalsContact C-N 3.26Å; S265-R267 PolarHBondContact O-N 2.99Å; S265-L268 WeakPolarHBondContact O-CB 3.24Å; S265-L268 WeakPolarHBondContact O-CG 3.35Å; S265-L268 PolarHBondContact O-N 3.5Å; S265-V304 WeakPolarHBondContact OG-CB 3.5Å; S265-V304 WeakPolarHBondContact OG-CG2 3.41Å; S265-M307 VanDerWaalsContact O-CB 3.27Å; S265-M307 WeakPolarHBondContact O-CB 3.46Å; S265-M307 WeakPolarHBondContact O-CG 3.46Å |
| 266 | W | 94.3 | Very high | 93.2 | Very high | 130 Ų | 130 | 57.1 Ų | 57.1 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -33.3 | 176.7 | -77 | 112.9 | 0 | 0 | 0 | 113 | L262 A264 L268 R303 M307 | L262-W266 PolarHBondContact O-N 3.35Å; A264-W266 VanDerWaalsContact C-N 3.33Å; A264-W266 PolarHBondContact O-N 2.99Å; W266-L268 VanDerWaalsContact C-N 3.28Å; W266-L268 PolarHBondContact O-N 3.26Å; W266-R303 VanDerWaalsContact CH2-CZ 3.46Å; W266-R303 HydrophobicContact CZ2-CG 4.14Å; W266-R303 VanDerWaalsContact CZ2-NE 3.29Å; W266-M307 HydrophobicContact CE3-SD 3.95Å; W266-M307 HydrophobicContact CZ3-SD 4.1Å |
| 267 | R | 95.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -80.6 | -3.8 | -179.3 | -70 | 175.7 | 72.8 | 177.4 | 0.2 | 113.8 | H263 A264 S265 C269 D270 T273 A277 | H263-R267 PolarHBondContact NE2-NH1 3.43Å; H263-R267 PolarHBondContact O-N 3.09Å; A264-R267 PolarHBondContact O-N 3.34Å; S265-R267 VanDerWaalsContact C-N 3.26Å; S265-R267 PolarHBondContact O-N 2.99Å; R267-C269 PolarHBondContact O-N 3.45Å; R267-D270 PolarHBondContact O-N 3.22Å; R267-D270 VanDerWaalsContact O-N 3.1Å; R267-T273 PolarHBondContact NE-OG1 2.98Å; R267-A277 HydrophobicContact CB-CB 3.69Å |
| 268 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.1 | 173.1 | -67.7 | 175 | 0 | 0 | 0 | 113 | A264 S265 W266 K274 A277 E278 V281 M307 S311 V316 | A264-L268 PolarHBondContact O-N 3.36Å; S265-L268 WeakPolarHBondContact O-CB 3.24Å; S265-L268 WeakPolarHBondContact O-CG 3.35Å; S265-L268 PolarHBondContact O-N 3.5Å; W266-L268 VanDerWaalsContact C-N 3.28Å; W266-L268 PolarHBondContact O-N 3.26Å; L268-K274 WeakPolarHBondContact O-CD 3.43Å; L268-K274 WeakPolarHBondContact O-CG 3.46Å; L268-A277 HydrophobicContact CD2-CB 4Å; L268-A277 HydrophobicContact CG-CB 4.47Å; L268-E278 HydrophobicContact CD2-CB 4.34Å; L268-V281 HydrophobicContact CD1-CG2 4.38Å; L268-V281 HydrophobicContact CD2-CG2 4.45Å; L268-M307 HydrophobicContact CB-CB 4.39Å; L268-M307 HydrophobicContact CD1-CB 4.1Å; L268-S311 WeakPolarHBondContact O-CB 3.38Å; L268-V316 HydrophobicContact CD1-CG1 4.44Å; L268-V316 HydrophobicContact CD1-CG2 4.46Å; L268-V316 HydrophobicContact CD2-CG2 4.05Å |
| 269 | C | 92.1 | Very high | 93 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 2.3 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 113.3 | R267 | R267-C269 PolarHBondContact O-N 3.45Š|
| 270 | D | 91.5 | Very high | 93 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | trans | -99 | 108.9 | 179.1 | 171 | 14.9 | 0 | 0 | 0 | 109.5 | R267 E272 T273 K274 | R267-D270 PolarHBondContact O-N 3.22Å; R267-D270 VanDerWaalsContact O-N 3.1Å; D270-E272 PolarHBondContact O-N 2.99Å; D270-E272 VanDerWaalsContact O-N 3.15Å; D270-E272 PolarHBondContact OD1-N 2.99Å; D270-T273 VanDerWaalsContact CG-OG1 3.31Å; D270-T273 CarbonylContact O-C 3.59Å; D270-T273 PolarHBondContact O-N 3.04Å; D270-T273 WeakPolarHBondContact OD2-CB 3.35Å; D270-T273 VanDerWaalsContact OD2-CG2 3.3Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.46Å; D270-T273 PolarHBondContact OD2-OG1 3.21Å; D270-K274 WeakPolarHBondContact O-CA 3.43Å; D270-K274 VanDerWaalsContact O-CB 3.24Å; D270-K274 WeakPolarHBondContact O-CB 3.49Å; D270-K274 PolarHBondContact O-N 3.36Å | ||
| 271 | D | 86.5 | Confident | 93.1 | Very high | 146 Ų | 146 | 58.5 Ų | 58.5 | 78% | 0.781 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.8 | -174 | -71.5 | -32.6 | 0 | 0 | 0 | 113.5 | T273 | D271-T273 VanDerWaalsContact C-N 3.32Å; D271-T273 PolarHBondContact O-N 3.09Å |
| 272 | E | 89.1 | Confident | 93 | Very high | 184 Ų | 184 | 59.5 Ų | 59.5 | 86% | 0.86 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -28.6 | 179 | -66.3 | -171.9 | 172.2 | 0 | 0 | 112.3 | D270 | D270-E272 PolarHBondContact O-N 2.99Å; D270-E272 VanDerWaalsContact O-N 3.15Å; D270-E272 PolarHBondContact OD1-N 2.99Å |
| 273 | T | 89.4 | Confident | 93 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 1.1 | -166.8 | 74.2 | 0 | 0 | 0 | 0 | 114 | R267 D270 D271 G275 D276 A277 | R267-T273 PolarHBondContact NE-OG1 2.98Å; D270-T273 VanDerWaalsContact CG-OG1 3.31Å; D270-T273 CarbonylContact O-C 3.59Å; D270-T273 PolarHBondContact O-N 3.04Å; D270-T273 WeakPolarHBondContact OD2-CB 3.35Å; D270-T273 VanDerWaalsContact OD2-CG2 3.3Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.46Å; D270-T273 PolarHBondContact OD2-OG1 3.21Å; D271-T273 VanDerWaalsContact C-N 3.32Å; D271-T273 PolarHBondContact O-N 3.09Å; T273-G275 VanDerWaalsContact C-N 3.27Å; T273-G275 PolarHBondContact O-N 3.48Å; T273-D276 PolarHBondContact O-N 3.07Å; T273-A277 WeakPolarHBondContact O-CB 3.45Å; T273-A277 PolarHBondContact O-N 3.1Å |
| 274 | K | 88.8 | Confident | 93.1 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.2 | -38.3 | -179.3 | -178.2 | 174.1 | -174.7 | -179 | 0 | 113.3 | L268 D270 A277 E278 S311 | L268-K274 WeakPolarHBondContact O-CD 3.43Å; L268-K274 WeakPolarHBondContact O-CG 3.46Å; D270-K274 WeakPolarHBondContact O-CA 3.43Å; D270-K274 VanDerWaalsContact O-CB 3.24Å; D270-K274 WeakPolarHBondContact O-CB 3.49Å; D270-K274 PolarHBondContact O-N 3.36Å; K274-A277 PolarHBondContact O-N 2.68Å; K274-E278 WeakPolarHBondContact O-CB 3.45Å; K274-E278 PolarHBondContact O-N 3.23Å; K274-S311 PolarHBondContact NZ-O 3.16Å |
| 275 | G | 88.5 | Confident | 93.1 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | T273 R279 | T273-G275 VanDerWaalsContact C-N 3.27Å; T273-G275 PolarHBondContact O-N 3.48Å; G275-R279 WeakPolarHBondContact O-CB 3.38Å; G275-R279 PolarHBondContact O-N 2.77Å; G275-R279 VanDerWaalsContact O-N 3.15Å |
| 276 | D | 91.3 | Very high | 93 | Very high | 99 Ų | 99 | 58.3 Ų | 58.3 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 176.5 | -69.9 | -18.6 | 0 | 0 | 0 | 111.2 | T273 R279 Q280 | T273-D276 PolarHBondContact O-N 3.07Å; D276-R279 PolarHBondContact O-N 2.83Å; D276-R279 IonicContact OD1-NH2 3.91Å; D276-Q280 WeakPolarHBondContact O-CB 3.33Å; D276-Q280 PolarHBondContact O-N 3.49Å |
| 277 | A | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A264 R267 L268 T273 K274 Q280 V281 | A264-A277 WeakPolarHBondContact O-CB 3.41Å; R267-A277 HydrophobicContact CB-CB 3.69Å; L268-A277 HydrophobicContact CD2-CB 4Å; L268-A277 HydrophobicContact CG-CB 4.47Å; T273-A277 WeakPolarHBondContact O-CB 3.45Å; T273-A277 PolarHBondContact O-N 3.1Å; K274-A277 PolarHBondContact O-N 2.68Å; A277-Q280 PolarHBondContact O-N 2.86Å; A277-V281 WeakPolarHBondContact O-CG2 3.27Å; A277-V281 PolarHBondContact O-N 2.96Å |
| 278 | E | 94.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 51 Ų | 51 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.2 | -55.6 | 174.1 | 175.1 | -176.3 | 120 | 0 | 0 | 110.1 | L268 K274 Q280 V281 T282 N313 R315 V316 | L268-E278 HydrophobicContact CD2-CB 4.34Å; K274-E278 WeakPolarHBondContact O-CB 3.45Å; K274-E278 PolarHBondContact O-N 3.23Å; E278-Q280 VanDerWaalsContact C-N 3.27Å; E278-Q280 PolarHBondContact O-N 2.78Å; E278-V281 PolarHBondContact O-N 3.4Å; E278-T282 HydrophobicContact CG-CG2 4.37Å; E278-T282 WeakPolarHBondContact O-CG2 3.43Å; E278-T282 PolarHBondContact O-N 2.97Å; E278-T282 PolarHBondContact O-OG1 3.24Å; E278-T282 VanDerWaalsContact O-OG1 3.07Å; E278-N313 PolarHBondContact OE2-ND2 2.9Å; E278-N313 PolarHBondContact OE2-OD1 3.2Å; E278-R315 HydrophobicContact CG-CB 4.4Å; E278-R315 WeakPolarHBondContact OE1-CD 3.35Å; E278-R315 IonicContact OE1-CZ 2.98Å; E278-R315 IonicContact OE1-NE 3.74Å; E278-R315 IonicContact OE1-NH1 3.63Å; E278-R315 PolarHBondContact OE1-NH1 2.89Å; E278-V316 HydrophobicContact CG-CG2 4.11Å |
| 279 | R | 92.9 | Very high | 93.1 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.3 | -43.9 | 179.9 | -170.6 | -167.1 | -43 | -148.2 | 6.4 | 111.9 | G275 D276 T282 F283 | G275-R279 WeakPolarHBondContact O-CB 3.38Å; G275-R279 PolarHBondContact O-N 2.77Å; G275-R279 VanDerWaalsContact O-N 3.15Å; D276-R279 PolarHBondContact O-N 2.83Å; D276-R279 IonicContact OD1-NH2 3.91Å; R279-T282 PolarHBondContact O-OG1 2.95Å; R279-T282 VanDerWaalsContact O-OG1 3.11Å; R279-F283 WeakPolarHBondContact O-CB 3.49Å; R279-F283 PolarHBondContact O-N 3.38Å |
| 280 | Q | 95.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.5 | -43.1 | -178.8 | -169.8 | 179.8 | 11.8 | 0 | 0 | 112.1 | C229 A232 A264 D276 A277 E278 L284 | C229-Q280 WeakPolarHBondContact O-CG 3.14Å; C229-Q280 PolarHBondContact O-NE2 3.3Å; A232-Q280 HydrophobicContact CB-CB 4.19Å; A232-Q280 HydrophobicContact CB-CG 4.14Å; A264-Q280 HydrophobicContact CB-CB 4.02Å; A264-Q280 HydrophobicContact CB-CG 3.98Å; A264-Q280 VanDerWaalsContact CB-OE1 3.28Å; D276-Q280 WeakPolarHBondContact O-CB 3.33Å; D276-Q280 PolarHBondContact O-N 3.49Å; A277-Q280 PolarHBondContact O-N 2.86Å; E278-Q280 VanDerWaalsContact C-N 3.27Å; E278-Q280 PolarHBondContact O-N 2.78Å; Q280-L284 HydrophobicContact CG-CD1 4.2Å; Q280-L284 WeakPolarHBondContact O-CB 3.36Å; Q280-L284 VanDerWaalsContact O-CG 3.26Å; Q280-L284 WeakPolarHBondContact O-CG 3.44Å; Q280-L284 PolarHBondContact O-N 3.15Å; Q280-L284 VanDerWaalsContact O-N 3.11Å |
| 281 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -48.3 | 178.4 | 169.7 | 0 | 0 | 0 | 0 | 111 | F261 A264 L268 A277 E278 F283 L284 L285 V304 V316 | F261-V281 HydrophobicContact CE2-CB 4.39Å; F261-V281 HydrophobicContact CE2-CG1 3.86Å; F261-V281 HydrophobicContact CE2-CG2 4.45Å; F261-V281 HydrophobicContact CZ-CG1 4.28Å; A264-V281 HydrophobicContact CB-CG2 3.71Å; L268-V281 HydrophobicContact CD1-CG2 4.38Å; L268-V281 HydrophobicContact CD2-CG2 4.45Å; A277-V281 WeakPolarHBondContact O-CG2 3.27Å; A277-V281 PolarHBondContact O-N 2.96Å; E278-V281 PolarHBondContact O-N 3.4Å; V281-F283 PolarHBondContact O-N 2.91Å; V281-L284 PolarHBondContact O-N 3.37Å; V281-L285 HydrophobicContact CG1-CD1 4.05Å; V281-L285 WeakPolarHBondContact O-CG 3.27Å; V281-L285 PolarHBondContact O-N 2.88Å; V281-L285 VanDerWaalsContact O-N 3.12Å; V281-V304 HydrophobicContact CG1-CG2 3.67Å; V281-V316 HydrophobicContact CB-CG2 4.36Å; V281-V316 HydrophobicContact CG1-CG1 3.65Å; V281-V316 HydrophobicContact CG1-CG2 4.11Å |
| 282 | T | 95.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 179.6 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | E278 R279 L284 L285 Q286 V316 S319 | E278-T282 HydrophobicContact CG-CG2 4.37Å; E278-T282 WeakPolarHBondContact O-CG2 3.43Å; E278-T282 PolarHBondContact O-N 2.97Å; E278-T282 PolarHBondContact O-OG1 3.24Å; E278-T282 VanDerWaalsContact O-OG1 3.07Å; R279-T282 PolarHBondContact O-OG1 2.95Å; R279-T282 VanDerWaalsContact O-OG1 3.11Å; T282-L284 PolarHBondContact O-N 3.14Å; T282-L285 PolarHBondContact O-N 3.49Å; T282-Q286 WeakPolarHBondContact O-CB 3.29Å; T282-Q286 PolarHBondContact O-N 3.08Å; T282-V316 HydrophobicContact CG2-CG2 3.95Å; T282-S319 WeakPolarHBondContact CB-OG 3.43Å; T282-S319 WeakPolarHBondContact CG2-OG 3.43Å |
| 283 | F | 95.6 | Very high | 94 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.5 | -49.3 | 176.8 | 179.6 | -87.9 | 0 | 0 | 0 | 112.8 | A232 E233 F238 R279 V281 L285 Q286 Y287 | A232-F283 VanDerWaalsContact C-CD2 3.42Å; A232-F283 HydrophobicContact CB-CB 3.7Å; A232-F283 HydrophobicContact CB-CD1 3.7Å; A232-F283 HydrophobicContact CB-CD2 4.18Å; A232-F283 HydrophobicContact CB-CE1 4.34Å; A232-F283 HydrophobicContact CB-CG 3.6Å; A232-F283 WeakPolarHBondContact O-CD2 3.4Å; A232-F283 WeakPolarHBondContact O-CE2 3.39Å; E233-F283 WeakPolarHBondContact O-CZ 3.3Å; F238-F283 HydrophobicContact CB-CE1 3.76Å; F238-F283 HydrophobicContact CB-CZ 3.48Å; F238-F283 VanDerWaalsContact CB-CZ 3.48Å; F238-F283 AromaticContact CD1-CE1 3.88Å; F238-F283 HydrophobicContact CD1-CE1 3.88Å; F238-F283 HydrophobicContact CD1-CZ 4.38Å; F238-F283 AromaticContact CD2-CE1 3.66Å; F238-F283 HydrophobicContact CD2-CE1 3.66Å; F238-F283 HydrophobicContact CD2-CZ 4.21Å; F238-F283 HydrophobicContact CE1-CE1 4.41Å; F238-F283 HydrophobicContact CE2-CE1 4.21Å; F238-F283 AromaticContact CG-CE1 3.47Å; F238-F283 HydrophobicContact CG-CE1 3.47Å; F238-F283 VanDerWaalsContact CG-CE1 3.47Å; F238-F283 AromaticContact CG-CZ 3.78Å; F238-F283 HydrophobicContact CG-CZ 3.78Å; R279-F283 WeakPolarHBondContact O-CB 3.49Å; R279-F283 PolarHBondContact O-N 3.38Å; V281-F283 PolarHBondContact O-N 2.91Å; F283-L285 VanDerWaalsContact C-N 3.31Å; F283-L285 PolarHBondContact O-N 2.68Å; F283-Q286 PolarHBondContact O-N 3.06Å; F283-Y287 AromaticContact CD2-CD2 3.62Å; F283-Y287 HydrophobicContact CD2-CD2 3.62Å; F283-Y287 AromaticContact CD2-CE2 3.95Å; F283-Y287 HydrophobicContact CD2-CE2 3.95Å; F283-Y287 AromaticContact CE2-CD2 3.83Å; F283-Y287 HydrophobicContact CE2-CD2 3.83Å; F283-Y287 HydrophobicContact CE2-CE2 4.22Å; F283-Y287 HydrophobicContact CG-CD2 4.09Å; F283-Y287 HydrophobicContact CZ-CD2 4.45Å; F283-Y287 WeakPolarHBondContact O-CD2 3.5Å; F283-Y287 PolarHBondContact O-N 3.44Å |
| 284 | L | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -33.5 | -178.2 | -70.1 | 174.6 | 0 | 0 | 0 | 112.2 | C229 F238 T257 F261 Q280 V281 T282 G288 L296 | C229-L284 HydrophobicContact CB-CD2 4.24Å; F238-L284 HydrophobicContact CE1-CD2 4.21Å; F238-L284 HydrophobicContact CE2-CD2 4.01Å; F238-L284 HydrophobicContact CZ-CD2 3.55Å; T257-L284 HydrophobicContact CG2-CD1 4.23Å; T257-L284 HydrophobicContact CG2-CD2 3.82Å; F261-L284 HydrophobicContact CB-CD1 4.08Å; F261-L284 HydrophobicContact CD2-CB 4.01Å; F261-L284 HydrophobicContact CD2-CD1 3.91Å; F261-L284 HydrophobicContact CE2-CB 4.44Å; Q280-L284 HydrophobicContact CG-CD1 4.2Å; Q280-L284 WeakPolarHBondContact O-CB 3.36Å; Q280-L284 VanDerWaalsContact O-CG 3.26Å; Q280-L284 WeakPolarHBondContact O-CG 3.44Å; Q280-L284 PolarHBondContact O-N 3.15Å; Q280-L284 VanDerWaalsContact O-N 3.11Å; V281-L284 PolarHBondContact O-N 3.37Å; T282-L284 PolarHBondContact O-N 3.14Å; L284-G288 WeakPolarHBondContact O-CA 3.23Å; L284-G288 PolarHBondContact O-N 2.91Å; L284-L296 HydrophobicContact CB-CD1 4.38Å |
| 285 | L | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.7 | -37.6 | 173.9 | -71.4 | 173.7 | 0 | 0 | 0 | 112.5 | F261 V281 T282 F283 R293 I320 S323 V324 | F261-L285 HydrophobicContact CE2-CD1 4.39Å; F261-L285 HydrophobicContact CE2-CD2 4.11Å; F261-L285 HydrophobicContact CE2-CG 3.89Å; F261-L285 HydrophobicContact CZ-CD1 4.32Å; F261-L285 HydrophobicContact CZ-CD2 3.91Å; F261-L285 HydrophobicContact CZ-CG 4.06Å; V281-L285 HydrophobicContact CG1-CD1 4.05Å; V281-L285 WeakPolarHBondContact O-CG 3.27Å; V281-L285 PolarHBondContact O-N 2.88Å; V281-L285 VanDerWaalsContact O-N 3.12Å; T282-L285 PolarHBondContact O-N 3.49Å; F283-L285 VanDerWaalsContact C-N 3.31Å; F283-L285 PolarHBondContact O-N 2.68Å; L285-R293 WeakPolarHBondContact O-CD 3.25Å; L285-I320 HydrophobicContact CD1-CG1 3.68Å; L285-S323 WeakPolarHBondContact O-CB 3.49Å; L285-S323 PolarHBondContact O-OG 3Å; L285-V324 HydrophobicContact CD2-CG2 4.32Å |
| 286 | Q | 94.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -78.3 | -41.1 | -175.1 | -175.7 | 177.7 | -5.6 | 0 | 0 | 112.5 | T282 F283 | T282-Q286 WeakPolarHBondContact O-CB 3.29Å; T282-Q286 PolarHBondContact O-N 3.08Å; F283-Q286 PolarHBondContact O-N 3.06Å |
| 287 | Y | 95.3 | Very high | 95.1 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 22% | 0.216 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -105.1 | -3.4 | -173.9 | -62.8 | -74.2 | 0 | 0 | 0 | 113.9 | G235 A239 F283 | G235-Y287 VanDerWaalsContact CA-CE1 3.46Å; G235-Y287 VanDerWaalsContact CA-CG 3.41Å; G235-Y287 WeakPolarHBondContact O-CD1 3.4Å; A239-Y287 WeakPolarHBondContact CA-O 3.22Å; A239-Y287 HydrophobicContact CB-CD1 4.42Å; F283-Y287 AromaticContact CD2-CD2 3.62Å; F283-Y287 HydrophobicContact CD2-CD2 3.62Å; F283-Y287 AromaticContact CD2-CE2 3.95Å; F283-Y287 HydrophobicContact CD2-CE2 3.95Å; F283-Y287 AromaticContact CE2-CD2 3.83Å; F283-Y287 HydrophobicContact CE2-CD2 3.83Å; F283-Y287 HydrophobicContact CE2-CE2 4.22Å; F283-Y287 HydrophobicContact CG-CD2 4.09Å; F283-Y287 HydrophobicContact CZ-CD2 4.45Å; F283-Y287 WeakPolarHBondContact O-CD2 3.5Å; F283-Y287 PolarHBondContact O-N 3.44Å |
| 288 | G | 95.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -69.9 | 140.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L284 R293 | L284-G288 WeakPolarHBondContact O-CA 3.23Å; L284-G288 PolarHBondContact O-N 2.91Å; G288-R293 WeakPolarHBondContact O-CD 3.46Å; G288-R293 PolarHBondContact O-NE 2.85Å |
| 289 | C | 95.3 | Very high | 95.1 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 10% | 0.095 | 19% | 0.193 | C | C | . | . | trans | -63.1 | 164.1 | 172.1 | 77.8 | 0 | 0 | 0 | 0 | 111.1 | C242 D243 C246 K291 L292 R293 | C242-C289 PolarHBondContact SG-N 3.34Å; C242-C289 VanDerWaalsContact SG-N 3.36Å; C242-C289 VanDerWaalsContact SG-SG 3.66Å; D243-C289 WeakPolarHBondContact OD1-CB 3.19Å; C246-C289 PolarHBondContact SG-SG 2.99Å; C289-K291 VanDerWaalsContact C-N 3.35Å; C289-K291 PolarHBondContact O-N 3.47Å; C289-L292 PolarHBondContact O-N 2.69Å; C289-L292 VanDerWaalsContact O-N 3.1Å; C289-L292 PolarHBondContact SG-N 2.81Å; C289-R293 WeakPolarHBondContact O-CG 3.46Å; C289-R293 PolarHBondContact O-N 3.47Å | ||
| 290 | E | 93.7 | Very high | 95.2 | Very high | 123 Ų | 123 | 37.3 Ų | 37.3 | 58% | 0.575 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -54.6 | -47.2 | -178.4 | -174.8 | 177.8 | -179.5 | 0 | 0 | 113 | L292 R293 Q294 | E290-L292 VanDerWaalsContact C-N 3.29Å; E290-L292 PolarHBondContact O-N 3.23Å; E290-R293 PolarHBondContact O-N 2.98Å; E290-Q294 HydrophobicContact CG-CG 4.42Å; E290-Q294 WeakPolarHBondContact O-CG 3.24Å; E290-Q294 PolarHBondContact O-N 3.31Å; E290-Q294 PolarHBondContact OE1-NE2 2.8Å; E290-Q294 VanDerWaalsContact OE1-NE2 3.12Å |
| 291 | K | 94.1 | Very high | 95.1 | Very high | 105 Ų | 105 | 44.1 Ų | 44.1 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.1 | -44.8 | 176.8 | -71.6 | -173.8 | 171.9 | -168 | 0 | 112.1 | D250 C289 Q294 A295 | D250-K291 IonicContact OD2-NZ 3.09Å; D250-K291 PolarHBondContact OD2-NZ 3.41Å; C289-K291 VanDerWaalsContact C-N 3.35Å; C289-K291 PolarHBondContact O-N 3.47Å; K291-Q294 PolarHBondContact O-N 2.95Å; K291-A295 PolarHBondContact O-N 3.44Å; K291-A295 VanDerWaalsContact O-N 3.13Å |
| 292 | L | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -45.8 | -179.6 | -179.8 | 60.4 | 0 | 0 | 0 | 110.5 | F238 C242 V253 C254 T257 C289 E290 Q294 A295 L296 | F238-L292 HydrophobicContact CE1-CD2 4.45Å; F238-L292 HydrophobicContact CZ-CD2 4.38Å; C242-L292 WeakPolarHBondContact SG-CD2 3.46Å; V253-L292 HydrophobicContact CG1-CD1 4.38Å; C254-L292 HydrophobicContact CB-CD1 4.5Å; T257-L292 HydrophobicContact CG2-CD1 4.11Å; T257-L292 HydrophobicContact CG2-CD2 4.14Å; C289-L292 PolarHBondContact O-N 2.69Å; C289-L292 VanDerWaalsContact O-N 3.1Å; C289-L292 PolarHBondContact SG-N 2.81Å; E290-L292 VanDerWaalsContact C-N 3.29Å; E290-L292 PolarHBondContact O-N 3.23Å; L292-Q294 VanDerWaalsContact C-N 3.31Å; L292-Q294 PolarHBondContact O-N 2.93Å; L292-A295 PolarHBondContact O-N 3.16Å; L292-A295 VanDerWaalsContact O-N 3.08Å; L292-L296 HydrophobicContact CD1-CD1 3.98Å; L292-L296 HydrophobicContact CD1-CD2 4.07Å; L292-L296 HydrophobicContact CD1-CG 3.78Å; L292-L296 HydrophobicContact CD2-CD1 4.29Å; L292-L296 HydrophobicContact CG-CD1 3.75Å; L292-L296 HydrophobicContact CG-CG 3.99Å; L292-L296 WeakPolarHBondContact O-CB 3.44Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 3.36Å |
| 293 | R | 95.2 | Very high | 94.9 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 25% | 0.249 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.4 | -66.7 | -176.8 | -63.4 | 179.6 | -2.5 | 112 | L285 G288 C289 E290 A295 L296 F297 S323 | L285-R293 WeakPolarHBondContact O-CD 3.25Å; G288-R293 WeakPolarHBondContact O-CD 3.46Å; G288-R293 PolarHBondContact O-NE 2.85Å; C289-R293 WeakPolarHBondContact O-CG 3.46Å; C289-R293 PolarHBondContact O-N 3.47Å; E290-R293 PolarHBondContact O-N 2.98Å; R293-A295 VanDerWaalsContact C-N 3.25Å; R293-A295 PolarHBondContact O-N 2.84Å; R293-L296 PolarHBondContact O-N 3.19Å; R293-F297 PolarHBondContact O-N 3.33Å; R293-F297 VanDerWaalsContact O-N 3.09Å; R293-S323 PolarHBondContact NH1-O 3.44Å; R293-S323 VanDerWaalsContact NH1-O 3.17Å |
| 294 | Q | 93.5 | Very high | 94.9 | Very high | 85 Ų | 85 | 47 Ų | 47 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.9 | -34.1 | 175.9 | -73.1 | 176.4 | 3.5 | 0 | 0 | 112.6 | E290 K291 L292 P298 Q328 | E290-Q294 HydrophobicContact CG-CG 4.42Å; E290-Q294 WeakPolarHBondContact O-CG 3.24Å; E290-Q294 PolarHBondContact O-N 3.31Å; E290-Q294 PolarHBondContact OE1-NE2 2.8Å; E290-Q294 VanDerWaalsContact OE1-NE2 3.12Å; K291-Q294 PolarHBondContact O-N 2.95Å; L292-Q294 VanDerWaalsContact C-N 3.31Å; L292-Q294 PolarHBondContact O-N 2.93Å; Q294-P298 WeakPolarHBondContact O-CD 3.43Å; Q294-P298 VanDerWaalsContact O-CG 3.25Å; Q294-P298 WeakPolarHBondContact O-CG 3.3Å; Q294-Q328 PolarHBondContact O-NE2 3.42Å |
| 295 | A | 94.5 | Very high | 94.9 | Very high | 34 Ų | 34 | 47 Ų | 47 | 28% | 0.281 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -79.9 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C254 K291 L292 R293 P298 T299 | C254-A295 HydrophobicContact CB-CB 4.09Å; K291-A295 PolarHBondContact O-N 3.44Å; K291-A295 VanDerWaalsContact O-N 3.13Å; L292-A295 PolarHBondContact O-N 3.16Å; L292-A295 VanDerWaalsContact O-N 3.08Å; R293-A295 VanDerWaalsContact C-N 3.25Å; R293-A295 PolarHBondContact O-N 2.84Å; A295-P298 WeakPolarHBondContact O-CD 3.46Å; A295-T299 PolarHBondContact O-OG1 2.77Å |
| 296 | L | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.7 | -48.2 | -174.8 | -70.1 | -177.9 | 0 | 0 | 0 | 112.8 | T257 F261 L284 L292 R293 T299 | T257-L296 HydrophobicContact CG2-CD1 3.8Å; T257-L296 HydrophobicContact CG2-CD2 3.83Å; T257-L296 HydrophobicContact CG2-CG 4.38Å; F261-L296 HydrophobicContact CB-CD2 3.97Å; F261-L296 HydrophobicContact CD1-CB 4.08Å; F261-L296 HydrophobicContact CD1-CD2 4.42Å; F261-L296 HydrophobicContact CD2-CD1 4.35Å; F261-L296 HydrophobicContact CE1-CB 4.18Å; F261-L296 HydrophobicContact CG-CB 4.4Å; F261-L296 HydrophobicContact CG-CD1 4.38Å; F261-L296 HydrophobicContact CG-CD2 4.24Å; L284-L296 HydrophobicContact CB-CD1 4.38Å; L292-L296 HydrophobicContact CD1-CD1 3.98Å; L292-L296 HydrophobicContact CD1-CD2 4.07Å; L292-L296 HydrophobicContact CD1-CG 3.78Å; L292-L296 HydrophobicContact CD2-CD1 4.29Å; L292-L296 HydrophobicContact CG-CD1 3.75Å; L292-L296 HydrophobicContact CG-CG 3.99Å; L292-L296 WeakPolarHBondContact O-CB 3.44Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 3.36Å; R293-L296 PolarHBondContact O-N 3.19Å; L296-T299 WeakPolarHBondContact O-CB 3.45Å; L296-T299 PolarHBondContact O-N 3.42Å; L296-T299 PolarHBondContact O-OG1 3.16Å |
| 297 | F | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -44.9 | -172.6 | -172.6 | -111.6 | 0 | 0 | 0 | 114.9 | R293 T299 Y302 V304 L305 I320 V324 Q328 L329 | R293-F297 PolarHBondContact O-N 3.33Å; R293-F297 VanDerWaalsContact O-N 3.09Å; F297-T299 PolarHBondContact O-N 2.95Å; F297-Y302 AromaticContact CD1-CD1 3.59Å; F297-Y302 HydrophobicContact CD1-CD1 3.59Å; F297-Y302 AromaticContact CD1-CE1 3.76Å; F297-Y302 HydrophobicContact CD1-CE1 3.76Å; F297-Y302 AromaticContact CE1-CD1 3.47Å; F297-Y302 HydrophobicContact CE1-CD1 3.47Å; F297-Y302 VanDerWaalsContact CE1-CD1 3.47Å; F297-Y302 AromaticContact CE1-CE1 3.83Å; F297-Y302 HydrophobicContact CE1-CE1 3.83Å; F297-Y302 HydrophobicContact CG-CD1 4.42Å; F297-Y302 HydrophobicContact CZ-CD1 4.21Å; F297-V304 HydrophobicContact CD2-CG1 3.83Å; F297-V304 HydrophobicContact CE2-CG1 4.01Å; F297-L305 HydrophobicContact CE2-CB 4.33Å; F297-L305 HydrophobicContact CZ-CB 4.31Å; F297-L305 HydrophobicContact CZ-CD2 4.36Å; F297-I320 HydrophobicContact CD2-CG2 4.46Å; F297-I320 HydrophobicContact CE2-CB 4.44Å; F297-I320 HydrophobicContact CE2-CD1 4.11Å; F297-I320 HydrophobicContact CE2-CG1 4.04Å; F297-I320 HydrophobicContact CE2-CG2 3.56Å; F297-I320 HydrophobicContact CZ-CG2 3.88Å; F297-V324 HydrophobicContact CB-CG1 4.35Å; F297-V324 HydrophobicContact CB-CG2 4.22Å; F297-V324 HydrophobicContact CD1-CG1 3.54Å; F297-V324 HydrophobicContact CD1-CG2 4.43Å; F297-V324 HydrophobicContact CD2-CG1 4.3Å; F297-V324 HydrophobicContact CD2-CG2 3.72Å; F297-V324 HydrophobicContact CE1-CG1 3.8Å; F297-V324 HydrophobicContact CE2-CG2 4.17Å; F297-V324 HydrophobicContact CG-CG1 3.79Å; F297-V324 HydrophobicContact CG-CG2 3.86Å; F297-V324 HydrophobicContact CZ-CG1 4.29Å; F297-Q328 HydrophobicContact CD1-CB 4.01Å; F297-Q328 HydrophobicContact CE1-CB 4.41Å; F297-Q328 WeakPolarHBondContact CE1-O 3.21Å; F297-L329 HydrophobicContact CZ-CD1 4.27Å |
| 298 | P | 95.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -4 | 177.6 | 31.8 | -37 | 0 | 0 | 0 | 114 | Q294 A295 D300 Q301 Y302 | Q294-P298 WeakPolarHBondContact O-CD 3.43Å; Q294-P298 VanDerWaalsContact O-CG 3.25Å; Q294-P298 WeakPolarHBondContact O-CG 3.3Å; A295-P298 WeakPolarHBondContact O-CD 3.46Å; P298-D300 PolarHBondContact O-N 3.21Å; P298-Q301 PolarHBondContact O-N 3.24Å; P298-Y302 HydrophobicContact CB-CD1 4.3Å; P298-Y302 HydrophobicContact CB-CE1 3.78Å; P298-Y302 HydrophobicContact CB-CE2 4.46Å; P298-Y302 PolarHBondContact O-N 3.07Å |
| 299 | T | 94.3 | Very high | 94.7 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57 | 134.2 | -176.6 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | L262 A295 L296 F297 Q301 Y302 R303 | L262-T299 HydrophobicContact CD1-CG2 3.5Å; L262-T299 HydrophobicContact CD2-CG2 3.74Å; L262-T299 HydrophobicContact CG-CG2 3.55Å; A295-T299 PolarHBondContact O-OG1 2.77Å; L296-T299 WeakPolarHBondContact O-CB 3.45Å; L296-T299 PolarHBondContact O-N 3.42Å; L296-T299 PolarHBondContact O-OG1 3.16Å; F297-T299 PolarHBondContact O-N 2.95Å; T299-Q301 VanDerWaalsContact C-N 3.32Å; T299-Q301 PolarHBondContact O-N 3.15Å; T299-Y302 PolarHBondContact O-N 3.18Å; T299-R303 PolarHBondContact O-N 3.31Å |
| 300 | D | 94.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | 51.4 | 46.4 | -176.2 | -165.9 | 48.5 | 0 | 0 | 0 | 113.2 | L262 P298 Y302 R303 | L262-D300 HydrophobicContact CD1-CB 4.27Å; L262-D300 HydrophobicContact CD2-CB 3.54Å; P298-D300 PolarHBondContact O-N 3.21Å; D300-Y302 PolarHBondContact O-N 3.15Å; D300-R303 HydrophobicContact CB-CB 3.99Å; D300-R303 WeakPolarHBondContact O-CB 3.21Å; D300-R303 PolarHBondContact O-N 3.03Å; D300-R303 IonicContact OD1-NH2 3.94Å; D300-R303 IonicContact OD2-CZ 3.25Å; D300-R303 VanDerWaalsContact OD2-CZ 3.25Å; D300-R303 IonicContact OD2-NE 2.75Å; D300-R303 PolarHBondContact OD2-NE 2.86Å; D300-R303 IonicContact OD2-NH2 2.86Å; D300-R303 PolarHBondContact OD2-NH2 2.83Å |
| 301 | Q | 93.5 | Very high | 94.4 | Very high | 161 Ų | 161 | 41.9 Ų | 41.9 | 75% | 0.752 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | 58 | 48.8 | 178.3 | -54.3 | 178.1 | 7.8 | 0 | 0 | 112.7 | P298 T299 R303 | P298-Q301 PolarHBondContact O-N 3.24Å; T299-Q301 VanDerWaalsContact C-N 3.32Å; T299-Q301 PolarHBondContact O-N 3.15Å; Q301-R303 VanDerWaalsContact C-N 3.28Å; Q301-R303 PolarHBondContact O-N 3.01Å |
| 302 | Y | 94.7 | Very high | 94.3 | Very high | 36 Ų | 36 | 47 Ų | 47 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | 62.4 | 33.8 | 178.2 | -49.2 | -92.3 | 0 | 0 | 0 | 113.2 | F297 P298 T299 D300 V304 L305 L306 D331 A335 | F297-Y302 AromaticContact CD1-CD1 3.59Å; F297-Y302 HydrophobicContact CD1-CD1 3.59Å; F297-Y302 AromaticContact CD1-CE1 3.76Å; F297-Y302 HydrophobicContact CD1-CE1 3.76Å; F297-Y302 AromaticContact CE1-CD1 3.47Å; F297-Y302 HydrophobicContact CE1-CD1 3.47Å; F297-Y302 VanDerWaalsContact CE1-CD1 3.47Å; F297-Y302 AromaticContact CE1-CE1 3.83Å; F297-Y302 HydrophobicContact CE1-CE1 3.83Å; F297-Y302 HydrophobicContact CG-CD1 4.42Å; F297-Y302 HydrophobicContact CZ-CD1 4.21Å; P298-Y302 HydrophobicContact CB-CD1 4.3Å; P298-Y302 HydrophobicContact CB-CE1 3.78Å; P298-Y302 HydrophobicContact CB-CE2 4.46Å; P298-Y302 PolarHBondContact O-N 3.07Å; T299-Y302 PolarHBondContact O-N 3.18Å; D300-Y302 PolarHBondContact O-N 3.15Å; Y302-V304 PolarHBondContact O-N 3.31Å; Y302-V304 VanDerWaalsContact O-N 3.13Å; Y302-L305 WeakPolarHBondContact O-CB 3.43Å; Y302-L305 PolarHBondContact O-N 2.76Å; Y302-L306 PolarHBondContact O-N 3.19Å; Y302-D331 HydrophobicContact CE1-CB 4.34Å; Y302-D331 WeakPolarHBondContact OH-CB 3.46Å; Y302-A335 HydrophobicContact CD2-CB 3.43Å; Y302-A335 VanDerWaalsContact CD2-CB 3.43Å; Y302-A335 HydrophobicContact CE2-CB 3.85Å; Y302-A335 HydrophobicContact CG-CB 4.38Å |
| 303 | R | 94.5 | Very high | 94.1 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -49.6 | -41.8 | -178.9 | -177.9 | 65.1 | 63.3 | -175.8 | 0.3 | 113 | L262 W266 T299 D300 Q301 L305 L306 M307 | L262-R303 HydrophobicContact CD2-CB 4.23Å; W266-R303 VanDerWaalsContact CH2-CZ 3.46Å; W266-R303 HydrophobicContact CZ2-CG 4.14Å; W266-R303 VanDerWaalsContact CZ2-NE 3.29Å; T299-R303 PolarHBondContact O-N 3.31Å; D300-R303 HydrophobicContact CB-CB 3.99Å; D300-R303 WeakPolarHBondContact O-CB 3.21Å; D300-R303 PolarHBondContact O-N 3.03Å; D300-R303 IonicContact OD1-NH2 3.94Å; D300-R303 IonicContact OD2-CZ 3.25Å; D300-R303 VanDerWaalsContact OD2-CZ 3.25Å; D300-R303 IonicContact OD2-NE 2.75Å; D300-R303 PolarHBondContact OD2-NE 2.86Å; D300-R303 IonicContact OD2-NH2 2.86Å; D300-R303 PolarHBondContact OD2-NH2 2.83Å; Q301-R303 VanDerWaalsContact C-N 3.28Å; Q301-R303 PolarHBondContact O-N 3.01Å; R303-L305 VanDerWaalsContact C-N 3.28Å; R303-L305 PolarHBondContact O-N 3.15Å; R303-L306 PolarHBondContact O-N 2.81Å; R303-M307 HydrophobicContact CG-CG 4.04Å; R303-M307 WeakPolarHBondContact O-CG 3.21Å; R303-M307 PolarHBondContact O-N 3.17Å |
| 304 | V | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -40.9 | -179.1 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | F261 S265 V281 F297 Y302 M307 A308 V316 | F261-V304 HydrophobicContact CE1-CB 3.76Å; F261-V304 HydrophobicContact CE1-CG1 3.76Å; F261-V304 HydrophobicContact CE1-CG2 4.06Å; F261-V304 HydrophobicContact CE2-CG2 4.44Å; F261-V304 HydrophobicContact CZ-CB 3.89Å; F261-V304 HydrophobicContact CZ-CG1 3.89Å; F261-V304 HydrophobicContact CZ-CG2 3.67Å; S265-V304 WeakPolarHBondContact OG-CB 3.5Å; S265-V304 WeakPolarHBondContact OG-CG2 3.41Å; V281-V304 HydrophobicContact CG1-CG2 3.67Å; F297-V304 HydrophobicContact CD2-CG1 3.83Å; F297-V304 HydrophobicContact CE2-CG1 4.01Å; Y302-V304 PolarHBondContact O-N 3.31Å; Y302-V304 VanDerWaalsContact O-N 3.13Å; V304-M307 PolarHBondContact O-N 2.97Å; V304-A308 VanDerWaalsContact O-CB 3.28Å; V304-A308 WeakPolarHBondContact O-CB 3.42Å; V304-A308 PolarHBondContact O-N 2.78Å; V304-V316 HydrophobicContact CG2-CG1 4.4Å |
| 305 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 178.9 | -178.2 | 64.3 | 0 | 0 | 0 | 110.1 | F297 Y302 R303 M307 A308 V309 L317 I320 L333 I336 L352 | F297-L305 HydrophobicContact CE2-CB 4.33Å; F297-L305 HydrophobicContact CZ-CB 4.31Å; F297-L305 HydrophobicContact CZ-CD2 4.36Å; Y302-L305 WeakPolarHBondContact O-CB 3.43Å; Y302-L305 PolarHBondContact O-N 2.76Å; R303-L305 VanDerWaalsContact C-N 3.28Å; R303-L305 PolarHBondContact O-N 3.15Å; L305-M307 VanDerWaalsContact C-N 3.34Å; L305-M307 PolarHBondContact O-N 3.2Å; L305-A308 PolarHBondContact O-N 2.67Å; L305-V309 VanDerWaalsContact O-CG2 3.22Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.26Å; L305-V309 VanDerWaalsContact O-N 3.07Å; L305-L317 HydrophobicContact CD1-CD2 4.05Å; L305-I320 HydrophobicContact CD1-CD1 4.13Å; L305-L333 HydrophobicContact CD2-CD2 4.41Å; L305-L333 HydrophobicContact CD2-CG 4.44Å; L305-I336 HydrophobicContact CD2-CD1 3.66Å; L305-I336 HydrophobicContact CD2-CG1 4.2Å; L305-I336 HydrophobicContact CG-CD1 3.73Å; L305-L352 HydrophobicContact CD1-CD1 3.8Å |
| 306 | L | 94 | Very high | 93.7 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 177 | -176.1 | 62.4 | 0 | 0 | 0 | 112 | Y302 R303 R310 I336 | Y302-L306 PolarHBondContact O-N 3.19Å; R303-L306 PolarHBondContact O-N 2.81Å; L306-R310 WeakPolarHBondContact O-CB 3.49Å; L306-R310 WeakPolarHBondContact O-CG 3.34Å; L306-R310 PolarHBondContact O-N 3.11Å; L306-I336 HydrophobicContact CB-CG2 4.05Å; L306-I336 HydrophobicContact CD1-CB 4.47Å |
| 307 | M | 95.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -39.4 | 179.9 | -65.1 | -57.3 | 95.8 | 0 | 0 | 112.3 | S265 W266 L268 R303 V304 L305 V309 R310 S311 | S265-M307 VanDerWaalsContact O-CB 3.27Å; S265-M307 WeakPolarHBondContact O-CB 3.46Å; S265-M307 WeakPolarHBondContact O-CG 3.46Å; W266-M307 HydrophobicContact CE3-SD 3.95Å; W266-M307 HydrophobicContact CZ3-SD 4.1Å; L268-M307 HydrophobicContact CB-CB 4.39Å; L268-M307 HydrophobicContact CD1-CB 4.1Å; R303-M307 HydrophobicContact CG-CG 4.04Å; R303-M307 WeakPolarHBondContact O-CG 3.21Å; R303-M307 PolarHBondContact O-N 3.17Å; V304-M307 PolarHBondContact O-N 2.97Å; L305-M307 VanDerWaalsContact C-N 3.34Å; L305-M307 PolarHBondContact O-N 3.2Å; M307-V309 VanDerWaalsContact C-N 3.3Å; M307-V309 PolarHBondContact O-N 3.07Å; M307-R310 PolarHBondContact O-N 3.2Å; M307-S311 VanDerWaalsContact O-CB 3.3Å; M307-S311 WeakPolarHBondContact O-CB 3.25Å; M307-S311 PolarHBondContact O-N 3.31Å; M307-S311 PolarHBondContact O-OG 3.28Å |
| 308 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V304 L305 S311 R312 N313 V316 L317 I320 | V304-A308 VanDerWaalsContact O-CB 3.28Å; V304-A308 WeakPolarHBondContact O-CB 3.42Å; V304-A308 PolarHBondContact O-N 2.78Å; L305-A308 PolarHBondContact O-N 2.67Å; A308-S311 PolarHBondContact O-OG 3.47Å; A308-R312 PolarHBondContact O-N 3.16Å; A308-R312 VanDerWaalsContact O-N 3.15Å; A308-N313 PolarHBondContact O-N 3.04Å; A308-V316 HydrophobicContact CB-CB 4.06Å; A308-V316 HydrophobicContact CB-CG1 3.57Å; A308-L317 HydrophobicContact CB-CD2 3.88Å; A308-L317 HydrophobicContact CB-CG 4.2Å; A308-I320 HydrophobicContact CB-CD1 4.44Å |
| 309 | V | 93.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -49.9 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L305 M307 S311 R312 L317 M340 L348 | L305-V309 VanDerWaalsContact O-CG2 3.22Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.26Å; L305-V309 VanDerWaalsContact O-N 3.07Å; M307-V309 VanDerWaalsContact C-N 3.3Å; M307-V309 PolarHBondContact O-N 3.07Å; V309-S311 VanDerWaalsContact C-N 3.28Å; V309-S311 PolarHBondContact O-N 3.01Å; V309-R312 PolarHBondContact O-N 3.43Å; V309-L317 HydrophobicContact CG2-CD2 4.11Å; V309-M340 HydrophobicContact CG1-CE 3.44Å; V309-M340 VanDerWaalsContact CG1-CE 3.44Å; V309-M340 HydrophobicContact CG1-SD 3.84Å; V309-L348 HydrophobicContact CG1-CD2 4.47Å; V309-L348 HydrophobicContact CG2-CD1 3.82Å; V309-L348 HydrophobicContact CG2-CD2 3.46Å; V309-L348 VanDerWaalsContact CG2-CD2 3.46Å; V309-L348 HydrophobicContact CG2-CG 4.29Å |
| 310 | R | 92 | Very high | 93.4 | Very high | 145 Ų | 145 | 51.4 Ų | 51.4 | 55% | 0.547 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.7 | -39.7 | -179.8 | -76.3 | -178.3 | 179.9 | -179.7 | -1.7 | 112.5 | L306 M307 R312 | L306-R310 WeakPolarHBondContact O-CB 3.49Å; L306-R310 WeakPolarHBondContact O-CG 3.34Å; L306-R310 PolarHBondContact O-N 3.11Å; M307-R310 PolarHBondContact O-N 3.2Å; R310-R312 VanDerWaalsContact C-N 3.26Å; R310-R312 PolarHBondContact O-N 3.34Å |
| 311 | S | 91.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.9 | 177.5 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | L268 K274 M307 A308 V309 N313 | L268-S311 WeakPolarHBondContact O-CB 3.38Å; K274-S311 PolarHBondContact NZ-O 3.16Å; M307-S311 VanDerWaalsContact O-CB 3.3Å; M307-S311 WeakPolarHBondContact O-CB 3.25Å; M307-S311 PolarHBondContact O-N 3.31Å; M307-S311 PolarHBondContact O-OG 3.28Å; A308-S311 PolarHBondContact O-OG 3.47Å; V309-S311 VanDerWaalsContact C-N 3.28Å; V309-S311 PolarHBondContact O-N 3.01Å; S311-N313 PolarHBondContact O-N 3.18Å |
| 312 | R | 91.1 | Very high | 93.4 | Very high | 213 Ų | 213 | 47.8 Ų | 47.8 | 80% | 0.804 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.8 | -174.6 | -55.7 | 179.9 | -178.5 | 179.7 | -0 | 112.5 | A308 V309 R310 S314 | A308-R312 PolarHBondContact O-N 3.16Å; A308-R312 VanDerWaalsContact O-N 3.15Å; V309-R312 PolarHBondContact O-N 3.43Å; R310-R312 VanDerWaalsContact C-N 3.26Å; R310-R312 PolarHBondContact O-N 3.34Å; R312-S314 PolarHBondContact O-N 2.79Å |
| 313 | N | 90.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | trans | -87.9 | 94.4 | -176.6 | -165.2 | -49.9 | 0 | 0 | 0 | 111 | E278 A308 S311 R315 V316 L317 | E278-N313 PolarHBondContact OE2-ND2 2.9Å; E278-N313 PolarHBondContact OE2-OD1 3.2Å; A308-N313 PolarHBondContact O-N 3.04Å; S311-N313 PolarHBondContact O-N 3.18Å; N313-R315 VanDerWaalsContact C-N 3.35Å; N313-R315 PolarHBondContact O-N 3.37Å; N313-R315 PolarHBondContact OD1-N 3.34Å; N313-V316 HydrophobicContact CB-CB 4.27Å; N313-V316 HydrophobicContact CB-CG2 4.31Å; N313-V316 PolarHBondContact O-N 3.35Å; N313-V316 WeakPolarHBondContact OD1-CG2 3.35Å; N313-V316 PolarHBondContact OD1-N 3.12Å; N313-L317 WeakPolarHBondContact O-CG 3.4Å; N313-L317 PolarHBondContact O-N 3.5Å | ||
| 314 | S | 90.2 | Very high | 93.3 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61 | -40.4 | -178.6 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | R312 V316 L317 E318 | R312-S314 PolarHBondContact O-N 2.79Å; S314-V316 PolarHBondContact O-N 3.26Å; S314-L317 WeakPolarHBondContact O-CB 3.43Å; S314-L317 PolarHBondContact O-N 3.41Å; S314-L317 VanDerWaalsContact O-N 3.13Å; S314-E318 WeakPolarHBondContact O-CG 3.41Å; S314-E318 PolarHBondContact O-N 3.33Å |
| 315 | R | 90.6 | Very high | 93.1 | Very high | 155 Ų | 155 | 46.6 Ų | 46.6 | 59% | 0.585 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.1 | -39.9 | -179 | -71.6 | 171.9 | 169 | -167.9 | -1.7 | 113.2 | E278 N313 S319 | E278-R315 HydrophobicContact CG-CB 4.4Å; E278-R315 WeakPolarHBondContact OE1-CD 3.35Å; E278-R315 IonicContact OE1-CZ 2.98Å; E278-R315 IonicContact OE1-NE 3.74Å; E278-R315 IonicContact OE1-NH1 3.63Å; E278-R315 PolarHBondContact OE1-NH1 2.89Å; N313-R315 VanDerWaalsContact C-N 3.35Å; N313-R315 PolarHBondContact O-N 3.37Å; N313-R315 PolarHBondContact OD1-N 3.34Å; R315-S319 WeakPolarHBondContact O-CB 3.33Å; R315-S319 PolarHBondContact O-N 3.47Å; R315-S319 PolarHBondContact O-OG 2.84Å |
| 316 | V | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 173.4 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | L268 E278 V281 T282 V304 A308 N313 S314 S319 I320 | L268-V316 HydrophobicContact CD1-CG1 4.44Å; L268-V316 HydrophobicContact CD1-CG2 4.46Å; L268-V316 HydrophobicContact CD2-CG2 4.05Å; E278-V316 HydrophobicContact CG-CG2 4.11Å; V281-V316 HydrophobicContact CB-CG2 4.36Å; V281-V316 HydrophobicContact CG1-CG1 3.65Å; V281-V316 HydrophobicContact CG1-CG2 4.11Å; T282-V316 HydrophobicContact CG2-CG2 3.95Å; V304-V316 HydrophobicContact CG2-CG1 4.4Å; A308-V316 HydrophobicContact CB-CB 4.06Å; A308-V316 HydrophobicContact CB-CG1 3.57Å; N313-V316 HydrophobicContact CB-CB 4.27Å; N313-V316 HydrophobicContact CB-CG2 4.31Å; N313-V316 PolarHBondContact O-N 3.35Å; N313-V316 WeakPolarHBondContact OD1-CG2 3.35Å; N313-V316 PolarHBondContact OD1-N 3.12Å; S314-V316 PolarHBondContact O-N 3.26Å; V316-S319 WeakPolarHBondContact O-CB 3.34Å; V316-S319 PolarHBondContact O-N 3.4Å; V316-I320 HydrophobicContact CG1-CD1 3.91Å; V316-I320 HydrophobicContact CG1-CG1 4.41Å; V316-I320 VanDerWaalsContact O-CG1 3.31Å; V316-I320 WeakPolarHBondContact O-CG1 3.29Å; V316-I320 PolarHBondContact O-N 3.43Å |
| 317 | L | 94.6 | Very high | 93 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 177.2 | -67.7 | 173.5 | 0 | 0 | 0 | 112.1 | L305 A308 V309 N313 S314 S319 I320 Q321 L348 L352 | L305-L317 HydrophobicContact CD1-CD2 4.05Å; A308-L317 HydrophobicContact CB-CD2 3.88Å; A308-L317 HydrophobicContact CB-CG 4.2Å; V309-L317 HydrophobicContact CG2-CD2 4.11Å; N313-L317 WeakPolarHBondContact O-CG 3.4Å; N313-L317 PolarHBondContact O-N 3.5Å; S314-L317 WeakPolarHBondContact O-CB 3.43Å; S314-L317 PolarHBondContact O-N 3.41Å; S314-L317 VanDerWaalsContact O-N 3.13Å; L317-S319 VanDerWaalsContact C-N 3.34Å; L317-S319 PolarHBondContact O-N 2.92Å; L317-I320 PolarHBondContact O-N 2.93Å; L317-Q321 WeakPolarHBondContact O-CB 3.33Å; L317-Q321 PolarHBondContact O-N 3.33Å; L317-L348 HydrophobicContact CD1-CD1 4.49Å; L317-L348 HydrophobicContact CD2-CD1 4.39Å; L317-L352 HydrophobicContact CB-CD2 4.27Å; L317-L352 HydrophobicContact CD2-CD1 4.42Å; L317-L352 HydrophobicContact CD2-CD2 4.43Å |
| 318 | E | 92.5 | Very high | 93 | Very high | 101 Ų | 101 | 57.3 Ų | 57.3 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 172.9 | -73.1 | 173.2 | -176 | 0 | 0 | 111.9 | S314 Q321 S322 | S314-E318 WeakPolarHBondContact O-CG 3.41Å; S314-E318 PolarHBondContact O-N 3.33Å; E318-Q321 PolarHBondContact O-N 3.05Å; E318-S322 WeakPolarHBondContact O-CB 3.4Å; E318-S322 PolarHBondContact O-N 2.92Å; E318-S322 PolarHBondContact O-OG 3.02Å |
| 319 | S | 93.6 | Very high | 93 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 12% | 0.119 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | T282 R315 V316 L317 S322 S323 | T282-S319 WeakPolarHBondContact CB-OG 3.43Å; T282-S319 WeakPolarHBondContact CG2-OG 3.43Å; R315-S319 WeakPolarHBondContact O-CB 3.33Å; R315-S319 PolarHBondContact O-N 3.47Å; R315-S319 PolarHBondContact O-OG 2.84Å; V316-S319 WeakPolarHBondContact O-CB 3.34Å; V316-S319 PolarHBondContact O-N 3.4Å; L317-S319 VanDerWaalsContact C-N 3.34Å; L317-S319 PolarHBondContact O-N 2.92Å; S319-S322 PolarHBondContact O-OG 3.05Å; S319-S323 WeakPolarHBondContact O-CB 3.27Å; S319-S323 PolarHBondContact O-N 2.86Å; S319-S323 PolarHBondContact O-OG 2.89Å |
| 320 | I | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -50.9 | 173.3 | -71.4 | 165.9 | 0 | 0 | 0 | 109.7 | L285 F297 L305 A308 V316 L317 S322 S323 V324 L329 | L285-I320 HydrophobicContact CD1-CG1 3.68Å; F297-I320 HydrophobicContact CD2-CG2 4.46Å; F297-I320 HydrophobicContact CE2-CB 4.44Å; F297-I320 HydrophobicContact CE2-CD1 4.11Å; F297-I320 HydrophobicContact CE2-CG1 4.04Å; F297-I320 HydrophobicContact CE2-CG2 3.56Å; F297-I320 HydrophobicContact CZ-CG2 3.88Å; L305-I320 HydrophobicContact CD1-CD1 4.13Å; A308-I320 HydrophobicContact CB-CD1 4.44Å; V316-I320 HydrophobicContact CG1-CD1 3.91Å; V316-I320 HydrophobicContact CG1-CG1 4.41Å; V316-I320 VanDerWaalsContact O-CG1 3.31Å; V316-I320 WeakPolarHBondContact O-CG1 3.29Å; V316-I320 PolarHBondContact O-N 3.43Å; L317-I320 PolarHBondContact O-N 2.93Å; I320-S322 VanDerWaalsContact C-N 3.3Å; I320-S322 PolarHBondContact O-N 3.25Å; I320-S323 PolarHBondContact O-N 2.69Å; I320-V324 HydrophobicContact CG2-CB 4.41Å; I320-V324 HydrophobicContact CG2-CG2 4.12Å; I320-V324 VanDerWaalsContact O-CB 3.25Å; I320-V324 WeakPolarHBondContact O-CB 3.19Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.3Å; I320-L329 HydrophobicContact CG2-CD1 3.78Å |
| 321 | Q | 93.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | -177.7 | -174.2 | 177.8 | 27.6 | 0 | 0 | 112.8 | L317 E318 V351 L352 N354 | L317-Q321 WeakPolarHBondContact O-CB 3.33Å; L317-Q321 PolarHBondContact O-N 3.33Å; E318-Q321 PolarHBondContact O-N 3.05Å; Q321-V351 PolarHBondContact NE2-O 2.91Å; Q321-V351 VanDerWaalsContact NE2-O 3.08Å; Q321-L352 HydrophobicContact CB-CD2 4.15Å; Q321-L352 PolarHBondContact NE2-O 3.16Å; Q321-N354 PolarHBondContact NE2-ND2 2.98Å; Q321-N354 PolarHBondContact NE2-OD1 3.17Å |
| 322 | S | 92.2 | Very high | 93.4 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -82.7 | -25.3 | -178.5 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | E318 S319 I320 | E318-S322 WeakPolarHBondContact O-CB 3.4Å; E318-S322 PolarHBondContact O-N 2.92Å; E318-S322 PolarHBondContact O-OG 3.02Å; S319-S322 PolarHBondContact O-OG 3.05Å; I320-S322 VanDerWaalsContact C-N 3.3Å; I320-S322 PolarHBondContact O-N 3.25Å |
| 323 | S | 93.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 12% | 0.119 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -111 | -20.7 | -169.3 | -55.1 | 0 | 0 | 0 | 0 | 114.8 | L285 R293 S319 I320 | L285-S323 WeakPolarHBondContact O-CB 3.49Å; L285-S323 PolarHBondContact O-OG 3Å; R293-S323 PolarHBondContact NH1-O 3.44Å; R293-S323 VanDerWaalsContact NH1-O 3.17Å; S319-S323 WeakPolarHBondContact O-CB 3.27Å; S319-S323 PolarHBondContact O-N 2.86Å; S319-S323 PolarHBondContact O-OG 2.89Å; I320-S323 PolarHBondContact O-N 2.69Å |
| 324 | V | 93.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -99.1 | 138.3 | -175.8 | 179 | 0 | 0 | 0 | 0 | 110.4 | L285 F297 I320 Q328 | L285-V324 HydrophobicContact CD2-CG2 4.32Å; F297-V324 HydrophobicContact CB-CG1 4.35Å; F297-V324 HydrophobicContact CB-CG2 4.22Å; F297-V324 HydrophobicContact CD1-CG1 3.54Å; F297-V324 HydrophobicContact CD1-CG2 4.43Å; F297-V324 HydrophobicContact CD2-CG1 4.3Å; F297-V324 HydrophobicContact CD2-CG2 3.72Å; F297-V324 HydrophobicContact CE1-CG1 3.8Å; F297-V324 HydrophobicContact CE2-CG2 4.17Å; F297-V324 HydrophobicContact CG-CG1 3.79Å; F297-V324 HydrophobicContact CG-CG2 3.86Å; F297-V324 HydrophobicContact CZ-CG1 4.29Å; I320-V324 HydrophobicContact CG2-CB 4.41Å; I320-V324 HydrophobicContact CG2-CG2 4.12Å; I320-V324 VanDerWaalsContact O-CB 3.25Å; I320-V324 WeakPolarHBondContact O-CB 3.19Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.3Å; V324-Q328 HydrophobicContact CG1-CB 3.8Å |
| 325 | A | 93.1 | Very high | 93.9 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 34% | 0.339 | 27% | 0.269 | S | S | . | . | trans | -60.4 | 138.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C327 Q328 L329 | A325-C327 PolarHBondContact O-N 3.32Å; A325-C327 VanDerWaalsContact O-N 3.1Å; A325-Q328 PolarHBondContact O-N 3.3Å; A325-L329 PolarHBondContact O-N 2.84Å; A325-L329 VanDerWaalsContact O-N 3.07Å | ||
| 326 | R | 93 | Very high | 94.1 | Very high | 132 Ų | 132 | 43.1 Ų | 43.1 | 50% | 0.498 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52.8 | -37.1 | -177.5 | -173.2 | 179.7 | 178.4 | 95.9 | 2.4 | 113 | L329 I330 L353 E355 | R326-L329 PolarHBondContact O-N 2.9Å; R326-I330 HydrophobicContact CG-CD1 4.24Å; R326-I330 WeakPolarHBondContact O-CG1 3.27Å; R326-I330 PolarHBondContact O-N 2.88Å; R326-I330 VanDerWaalsContact O-N 3.08Å; R326-L353 HydrophobicContact CG-CD2 4.47Å; R326-L353 PolarHBondContact NH1-O 3.11Å; R326-E355 IonicContact NH2-OE1 2.94Å; R326-E355 PolarHBondContact NH2-OE1 2.84Å; R326-E355 VanDerWaalsContact NH2-OE1 3.09Å |
| 327 | C | 93.6 | Very high | 94 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 54% | 0.541 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | A325 L329 I330 D331 | A325-C327 PolarHBondContact O-N 3.32Å; A325-C327 VanDerWaalsContact O-N 3.1Å; C327-L329 VanDerWaalsContact C-N 3.27Å; C327-L329 PolarHBondContact O-N 2.75Å; C327-I330 WeakPolarHBondContact O-CB 3.24Å; C327-I330 PolarHBondContact O-N 3.5Å; C327-I330 VanDerWaalsContact O-N 3.15Å; C327-D331 PolarHBondContact O-N 3.16Å |
| 328 | Q | 94.5 | Very high | 93.9 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 178.4 | -63.8 | -167.8 | -66 | 0 | 0 | 112 | Q294 F297 V324 A325 I330 D331 G332 | Q294-Q328 PolarHBondContact O-NE2 3.42Å; F297-Q328 HydrophobicContact CD1-CB 4.01Å; F297-Q328 HydrophobicContact CE1-CB 4.41Å; F297-Q328 WeakPolarHBondContact CE1-O 3.21Å; V324-Q328 HydrophobicContact CG1-CB 3.8Å; A325-Q328 PolarHBondContact O-N 3.3Å; Q328-I330 VanDerWaalsContact C-N 3.34Å; Q328-D331 PolarHBondContact O-N 3.41Å; Q328-G332 PolarHBondContact O-N 3.49Å |
| 329 | L | 94.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 175.2 | -174.5 | 57.5 | 0 | 0 | 0 | 111.8 | F297 I320 A325 R326 C327 G332 L333 L352 L353 | F297-L329 HydrophobicContact CZ-CD1 4.27Å; I320-L329 HydrophobicContact CG2-CD1 3.78Å; A325-L329 PolarHBondContact O-N 2.84Å; A325-L329 VanDerWaalsContact O-N 3.07Å; R326-L329 PolarHBondContact O-N 2.9Å; C327-L329 VanDerWaalsContact C-N 3.27Å; C327-L329 PolarHBondContact O-N 2.75Å; L329-G332 PolarHBondContact O-N 3.42Å; L329-L333 HydrophobicContact CG-CD1 4.41Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 VanDerWaalsContact O-CG 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 3.04Å; L329-L352 HydrophobicContact CD1-CB 4.44Å; L329-L352 HydrophobicContact CD1-CD1 4.15Å; L329-L352 HydrophobicContact CD2-CB 4.19Å; L329-L353 HydrophobicContact CD2-CD2 3.77Å; L329-L353 HydrophobicContact CG-CD2 3.96Å |
| 330 | I | 94.7 | Very high | 93.5 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 173.3 | -68.6 | 164.2 | 0 | 0 | 0 | 110.5 | R326 C327 Q328 G332 L333 N334 L353 | R326-I330 HydrophobicContact CG-CD1 4.24Å; R326-I330 WeakPolarHBondContact O-CG1 3.27Å; R326-I330 PolarHBondContact O-N 2.88Å; R326-I330 VanDerWaalsContact O-N 3.08Å; C327-I330 WeakPolarHBondContact O-CB 3.24Å; C327-I330 PolarHBondContact O-N 3.5Å; C327-I330 VanDerWaalsContact O-N 3.15Å; Q328-I330 VanDerWaalsContact C-N 3.34Å; I330-G332 VanDerWaalsContact C-N 3.32Å; I330-G332 PolarHBondContact O-N 2.81Å; I330-L333 PolarHBondContact O-N 2.98Å; I330-N334 PolarHBondContact O-N 2.62Å; I330-N334 PolarHBondContact O-ND2 3.26Å; I330-L353 HydrophobicContact CG1-CD1 4.18Å; I330-L353 HydrophobicContact CG1-CD2 4.07Å |
| 331 | D | 95.5 | Very high | 93.3 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 178.2 | -62.5 | -27.9 | 0 | 0 | 0 | 111.5 | Y302 C327 Q328 N334 A335 | Y302-D331 HydrophobicContact CE1-CB 4.34Å; Y302-D331 WeakPolarHBondContact OH-CB 3.46Å; C327-D331 PolarHBondContact O-N 3.16Å; Q328-D331 PolarHBondContact O-N 3.41Å; D331-N334 PolarHBondContact O-N 3.5Å; D331-A335 WeakPolarHBondContact O-CB 3.44Å; D331-A335 PolarHBondContact O-N 3.13Å |
| 332 | G | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q328 L329 I330 N334 A335 I336 | Q328-G332 PolarHBondContact O-N 3.49Å; L329-G332 PolarHBondContact O-N 3.42Å; I330-G332 VanDerWaalsContact C-N 3.32Å; I330-G332 PolarHBondContact O-N 2.81Å; G332-N334 VanDerWaalsContact C-N 3.29Å; G332-N334 PolarHBondContact O-N 3.36Å; G332-A335 PolarHBondContact O-N 3.2Å; G332-I336 WeakPolarHBondContact O-CG1 3.42Å; G332-I336 PolarHBondContact O-N 2.95Å |
| 333 | L | 95 | Very high | 92.8 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -38 | 174.5 | -77.7 | 167.8 | 0 | 0 | 0 | 112.3 | L305 L329 I330 K337 W345 L348 K349 L352 L353 | L305-L333 HydrophobicContact CD2-CD2 4.41Å; L305-L333 HydrophobicContact CD2-CG 4.44Å; L329-L333 HydrophobicContact CG-CD1 4.41Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 VanDerWaalsContact O-CG 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 3.04Å; I330-L333 PolarHBondContact O-N 2.98Å; L333-K337 PolarHBondContact O-N 3.45Å; L333-W345 PolarHBondContact O-NE1 3.3Å; L333-L348 HydrophobicContact CD2-CD2 3.88Å; L333-L348 HydrophobicContact CD2-CG 4.02Å; L333-K349 HydrophobicContact CD1-CB 4.36Å; L333-K349 HydrophobicContact CD1-CG 4.19Å; L333-L352 HydrophobicContact CD2-CD1 4.22Å; L333-L353 HydrophobicContact CD1-CD1 4.02Å; L333-L353 HydrophobicContact CD1-CD2 4.13Å; L333-L353 HydrophobicContact CD1-CG 3.92Å |
| 334 | N | 94.3 | Very high | 92.5 | Very high | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 175.4 | -71.9 | -31.3 | 0 | 0 | 0 | 111.5 | I330 D331 G332 I336 K337 | I330-N334 PolarHBondContact O-N 2.62Å; I330-N334 PolarHBondContact O-ND2 3.26Å; D331-N334 PolarHBondContact O-N 3.5Å; G332-N334 VanDerWaalsContact C-N 3.29Å; G332-N334 PolarHBondContact O-N 3.36Å; N334-I336 PolarHBondContact O-N 2.82Å; N334-K337 VanDerWaalsContact O-CB 3.32Å; N334-K337 WeakPolarHBondContact O-CB 3.45Å; N334-K337 PolarHBondContact O-N 3.44Å |
| 335 | A | 94.6 | Very high | 92.4 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y302 D331 G332 | Y302-A335 HydrophobicContact CD2-CB 3.43Å; Y302-A335 VanDerWaalsContact CD2-CB 3.43Å; Y302-A335 HydrophobicContact CE2-CB 3.85Å; Y302-A335 HydrophobicContact CG-CB 4.38Å; D331-A335 WeakPolarHBondContact O-CB 3.44Å; D331-A335 PolarHBondContact O-N 3.13Å; G332-A335 PolarHBondContact O-N 3.2Å |
| 336 | I | 93.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -88.6 | -3.5 | -178.6 | 71 | 165.1 | 0 | 0 | 0 | 114 | L305 L306 G332 N334 N338 S339 M340 L348 | L305-I336 HydrophobicContact CD2-CD1 3.66Å; L305-I336 HydrophobicContact CD2-CG1 4.2Å; L305-I336 HydrophobicContact CG-CD1 3.73Å; L306-I336 HydrophobicContact CB-CG2 4.05Å; L306-I336 HydrophobicContact CD1-CB 4.47Å; G332-I336 WeakPolarHBondContact O-CG1 3.42Å; G332-I336 PolarHBondContact O-N 2.95Å; N334-I336 PolarHBondContact O-N 2.82Å; I336-N338 VanDerWaalsContact C-N 3.26Å; I336-N338 PolarHBondContact O-N 3.11Å; I336-S339 WeakPolarHBondContact O-CA 3.5Å; I336-S339 WeakPolarHBondContact O-CB 3.13Å; I336-S339 PolarHBondContact O-N 3.16Å; I336-M340 HydrophobicContact CD1-SD 3.92Å; I336-L348 HydrophobicContact CD1-CD2 4.06Å |
| 337 | K | 92.8 | Very high | 92 | Very high | 100 Ų | 100 | 62.1 Ų | 62.1 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -51.4 | -43.8 | -174 | -178.4 | -178.5 | 177.5 | -172.7 | 0 | 113 | L333 N334 S339 W345 | L333-K337 PolarHBondContact O-N 3.45Å; N334-K337 VanDerWaalsContact O-CB 3.32Å; N334-K337 WeakPolarHBondContact O-CB 3.45Å; N334-K337 PolarHBondContact O-N 3.44Å; K337-S339 PolarHBondContact O-N 3.42Å; K337-W345 HydrophobicContact CD-CH2 4.44Å; K337-W345 HydrophobicContact CD-CZ2 4.05Å; K337-W345 HydrophobicContact CG-CD2 4.07Å; K337-W345 HydrophobicContact CG-CG 4.27Å; K337-W345 HydrophobicContact CG-CZ2 4.23Å |
| 338 | N | 91.6 | Very high | 91.9 | Very high | 154 Ų | 154 | 58.9 Ų | 58.9 | 82% | 0.824 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -78.4 | -3.5 | -177.6 | -62.3 | -21.4 | 0 | 0 | 0 | 113.3 | I336 | I336-N338 VanDerWaalsContact C-N 3.26Å; I336-N338 PolarHBondContact O-N 3.11Å |
| 339 | S | 90.4 | Very high | 91.8 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -97.1 | 4.6 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 113.3 | I336 K337 | I336-S339 WeakPolarHBondContact O-CA 3.5Å; I336-S339 WeakPolarHBondContact O-CB 3.13Å; I336-S339 PolarHBondContact O-N 3.16Å; K337-S339 PolarHBondContact O-N 3.42Å |
| 340 | M | 88.6 | Confident | 91.5 | Very high | 34 Ų | 34 | 61.1 Ų | 61.1 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -140.5 | 157 | -173.5 | -63.9 | -176.4 | 62 | 0 | 0 | 112.1 | V309 I336 Q344 W345 L348 | V309-M340 HydrophobicContact CG1-CE 3.44Å; V309-M340 VanDerWaalsContact CG1-CE 3.44Å; V309-M340 HydrophobicContact CG1-SD 3.84Å; I336-M340 HydrophobicContact CD1-SD 3.92Å; M340-Q344 HydrophobicContact CE-CB 3.85Å; M340-W345 HydrophobicContact CB-CB 4.45Å; M340-L348 HydrophobicContact CE-CD2 4.19Å; M340-L348 HydrophobicContact SD-CD2 3.99Å |
| 341 | E | 89.7 | Confident | 91.1 | Very high | 132 Ų | 132 | 61.4 Ų | 61.4 | 62% | 0.617 | 32% | 0.321 | S | S | * | . | trans | -64.6 | 144.3 | 169.4 | -67.5 | 175.6 | 173.8 | 0 | 0 | 111 | G343 Q344 W345 | E341-G343 VanDerWaalsContact C-N 3.35Å; E341-G343 PolarHBondContact O-N 3.19Å; E341-Q344 HydrophobicContact CB-CB 4.4Å; E341-Q344 HydrophobicContact CB-CG 4.08Å; E341-Q344 PolarHBondContact O-N 3.23Å; E341-Q344 PolarHBondContact OE2-NE2 2.91Å; E341-W345 PolarHBondContact O-N 2.89Å | ||
| 342 | Q | 88.6 | Confident | 90.8 | Very high | 138 Ų | 138 | 57.9 Ų | 57.9 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.2 | -41.4 | -172.7 | -172 | 178.1 | 5.3 | 0 | 0 | 113.2 | W345 K346 | Q342-W345 PolarHBondContact O-N 2.89Å; Q342-K346 WeakPolarHBondContact O-CG 3.41Å; Q342-K346 PolarHBondContact O-N 2.93Å |
| 343 | G | 87.3 | Confident | 90.6 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E341 W345 K346 L347 | E341-G343 VanDerWaalsContact C-N 3.35Å; E341-G343 PolarHBondContact O-N 3.19Å; G343-W345 VanDerWaalsContact C-N 3.33Å; G343-W345 PolarHBondContact O-N 2.78Å; G343-K346 PolarHBondContact O-N 3.17Å; G343-L347 PolarHBondContact O-N 3.05Å |
| 344 | Q | 87.5 | Confident | 90 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.6 | -62 | -178.7 | 2 | 0 | 0 | 111.9 | M340 E341 L347 L348 | M340-Q344 HydrophobicContact CE-CB 3.85Å; E341-Q344 HydrophobicContact CB-CB 4.4Å; E341-Q344 HydrophobicContact CB-CG 4.08Å; E341-Q344 PolarHBondContact O-N 3.23Å; E341-Q344 PolarHBondContact OE2-NE2 2.91Å; Q344-L347 PolarHBondContact O-N 3.01Å; Q344-L348 WeakPolarHBondContact O-CB 3.46Å; Q344-L348 PolarHBondContact O-N 3.11Å |
| 345 | W | 91.6 | Very high | 89.4 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 11% | 0.114 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.9 | 176.1 | 83.8 | 0 | 0 | 0 | 112.2 | L333 K337 M340 E341 Q342 G343 L347 L348 K349 | L333-W345 PolarHBondContact O-NE1 3.3Å; K337-W345 HydrophobicContact CD-CH2 4.44Å; K337-W345 HydrophobicContact CD-CZ2 4.05Å; K337-W345 HydrophobicContact CG-CD2 4.07Å; K337-W345 HydrophobicContact CG-CG 4.27Å; K337-W345 HydrophobicContact CG-CZ2 4.23Å; M340-W345 HydrophobicContact CB-CB 4.45Å; E341-W345 PolarHBondContact O-N 2.89Å; Q342-W345 PolarHBondContact O-N 2.89Å; G343-W345 VanDerWaalsContact C-N 3.33Å; G343-W345 PolarHBondContact O-N 2.78Å; W345-L347 VanDerWaalsContact C-N 3.33Å; W345-L347 PolarHBondContact O-N 3.31Å; W345-L348 PolarHBondContact O-N 2.83Å; W345-K349 HydrophobicContact CH2-CD 3.95Å; W345-K349 HydrophobicContact CZ2-CD 4.19Å; W345-K349 HydrophobicContact CZ3-CD 4.44Å; W345-K349 WeakPolarHBondContact O-CB 3.32Å; W345-K349 PolarHBondContact O-N 3.4Å |
| 346 | K | 90.2 | Very high | 88.1 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.7 | -73.4 | 179.1 | 179.9 | 177.4 | 0 | 111.3 | Q342 G343 K349 A350 Y357 | Q342-K346 WeakPolarHBondContact O-CG 3.41Å; Q342-K346 PolarHBondContact O-N 2.93Å; G343-K346 PolarHBondContact O-N 3.17Å; K346-K349 PolarHBondContact O-N 2.83Å; K346-A350 PolarHBondContact O-N 3.06Å; K346-Y357 HydrophobicContact CB-CE2 3.82Å |
| 347 | L | 87.6 | Confident | 86.5 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 20% | 0.204 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64 | -48.1 | 178.2 | 179.5 | 62.9 | 0 | 0 | 0 | 111.2 | G343 Q344 W345 K349 A350 V351 Y357 I367 | G343-L347 PolarHBondContact O-N 3.05Å; Q344-L347 PolarHBondContact O-N 3.01Å; W345-L347 VanDerWaalsContact C-N 3.33Å; W345-L347 PolarHBondContact O-N 3.31Å; L347-K349 VanDerWaalsContact C-N 3.3Å; L347-K349 PolarHBondContact O-N 2.68Å; L347-A350 PolarHBondContact O-N 3.37Å; L347-V351 HydrophobicContact CD1-CG2 4.39Å; L347-V351 WeakPolarHBondContact O-CG2 3.42Å; L347-V351 PolarHBondContact O-N 3.26Å; L347-Y357 VanDerWaalsContact CA-CE2 3.5Å; L347-Y357 HydrophobicContact CB-CE2 4Å; L347-Y357 HydrophobicContact CD1-CD1 4.36Å; L347-Y357 HydrophobicContact CD1-CD2 4.37Å; L347-Y357 HydrophobicContact CD1-CE1 4.36Å; L347-Y357 HydrophobicContact CD1-CE2 4.36Å; L347-Y357 HydrophobicContact CD1-CG 4.37Å; L347-I367 HydrophobicContact CD2-CD1 4Å |
| 348 | L | 90.9 | Very high | 84.8 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 177 | 179.5 | 67.6 | 0 | 0 | 0 | 111.6 | V309 L317 L333 I336 M340 Q344 W345 A350 V351 L352 | V309-L348 HydrophobicContact CG1-CD2 4.47Å; V309-L348 HydrophobicContact CG2-CD1 3.82Å; V309-L348 HydrophobicContact CG2-CD2 3.46Å; V309-L348 VanDerWaalsContact CG2-CD2 3.46Å; V309-L348 HydrophobicContact CG2-CG 4.29Å; L317-L348 HydrophobicContact CD1-CD1 4.49Å; L317-L348 HydrophobicContact CD2-CD1 4.39Å; L333-L348 HydrophobicContact CD2-CD2 3.88Å; L333-L348 HydrophobicContact CD2-CG 4.02Å; I336-L348 HydrophobicContact CD1-CD2 4.06Å; M340-L348 HydrophobicContact CE-CD2 4.19Å; M340-L348 HydrophobicContact SD-CD2 3.99Å; Q344-L348 WeakPolarHBondContact O-CB 3.46Å; Q344-L348 PolarHBondContact O-N 3.11Å; W345-L348 PolarHBondContact O-N 2.83Å; L348-A350 PolarHBondContact O-N 2.97Å; L348-V351 PolarHBondContact O-N 3.42Å; L348-L352 HydrophobicContact CD1-CD1 3.6Å; L348-L352 HydrophobicContact CD1-CG 4.02Å; L348-L352 HydrophobicContact CD2-CD1 4.45Å; L348-L352 HydrophobicContact CG-CD1 3.83Å; L348-L352 HydrophobicContact CG-CG 4.46Å; L348-L352 WeakPolarHBondContact O-CB 3.37Å; L348-L352 PolarHBondContact O-N 2.97Å |
| 349 | K | 91.9 | Very high | 83.1 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 176.9 | 179.4 | 179.4 | 175.9 | -169.8 | 0 | 111.2 | L333 W345 K346 L347 V351 L353 E355 | L333-K349 HydrophobicContact CD1-CB 4.36Å; L333-K349 HydrophobicContact CD1-CG 4.19Å; W345-K349 HydrophobicContact CH2-CD 3.95Å; W345-K349 HydrophobicContact CZ2-CD 4.19Å; W345-K349 HydrophobicContact CZ3-CD 4.44Å; W345-K349 WeakPolarHBondContact O-CB 3.32Å; W345-K349 PolarHBondContact O-N 3.4Å; K346-K349 PolarHBondContact O-N 2.83Å; L347-K349 VanDerWaalsContact C-N 3.3Å; L347-K349 PolarHBondContact O-N 2.68Å; K349-V351 PolarHBondContact O-N 3.11Å; K349-L353 HydrophobicContact CD-CD1 4.32Å; K349-L353 HydrophobicContact CG-CD1 3.65Å; K349-L353 HydrophobicContact CG-CG 4.31Å; K349-L353 VanDerWaalsContact O-CB 3.26Å; K349-L353 WeakPolarHBondContact O-CB 3.42Å; K349-L353 WeakPolarHBondContact O-CG 3.46Å; K349-L353 PolarHBondContact O-N 3.3Å; K349-E355 WeakPolarHBondContact CE-OE2 3.31Å; K349-E355 IonicContact NZ-OE2 3.89Å |
| 350 | A | 89.6 | Confident | 80.9 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K346 L347 L348 N354 E355 Y357 | K346-A350 PolarHBondContact O-N 3.06Å; L347-A350 PolarHBondContact O-N 3.37Å; L348-A350 PolarHBondContact O-N 2.97Å; A350-N354 WeakPolarHBondContact O-CA 3.42Å; A350-N354 PolarHBondContact O-N 3.2Å; A350-E355 WeakPolarHBondContact CB-O 3.42Å; A350-E355 PolarHBondContact O-N 3.33Å; A350-Y357 HydrophobicContact CB-CD2 3.72Å; A350-Y357 HydrophobicContact CB-CG 4.19Å |
| 351 | V | 86.9 | Confident | 78.8 | Confident | 72 Ų | 72 | 74.3 Ų | 74.3 | 44% | 0.436 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.9 | -51.9 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | Q321 L347 L348 K349 L353 N354 | Q321-V351 PolarHBondContact NE2-O 2.91Å; Q321-V351 VanDerWaalsContact NE2-O 3.08Å; L347-V351 HydrophobicContact CD1-CG2 4.39Å; L347-V351 WeakPolarHBondContact O-CG2 3.42Å; L347-V351 PolarHBondContact O-N 3.26Å; L348-V351 PolarHBondContact O-N 3.42Å; K349-V351 PolarHBondContact O-N 3.11Å; V351-L353 PolarHBondContact O-N 3.29Å; V351-N354 PolarHBondContact O-N 3.48Å |
| 352 | L | 88.9 | Confident | 76.4 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.5 | -33.1 | -174.6 | -73.3 | 177.7 | 0 | 0 | 0 | 112.9 | L305 L317 Q321 L329 L333 L348 | L305-L352 HydrophobicContact CD1-CD1 3.8Å; L317-L352 HydrophobicContact CB-CD2 4.27Å; L317-L352 HydrophobicContact CD2-CD1 4.42Å; L317-L352 HydrophobicContact CD2-CD2 4.43Å; Q321-L352 HydrophobicContact CB-CD2 4.15Å; Q321-L352 PolarHBondContact NE2-O 3.16Å; L329-L352 HydrophobicContact CD1-CB 4.44Å; L329-L352 HydrophobicContact CD1-CD1 4.15Å; L329-L352 HydrophobicContact CD2-CB 4.19Å; L333-L352 HydrophobicContact CD2-CD1 4.22Å; L348-L352 HydrophobicContact CD1-CD1 3.6Å; L348-L352 HydrophobicContact CD1-CG 4.02Å; L348-L352 HydrophobicContact CD2-CD1 4.45Å; L348-L352 HydrophobicContact CG-CD1 3.83Å; L348-L352 HydrophobicContact CG-CG 4.46Å; L348-L352 WeakPolarHBondContact O-CB 3.37Å; L348-L352 PolarHBondContact O-N 2.97Å |
| 353 | L | 90 | Very high | 74 | Confident | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -92.6 | -2.1 | -179.2 | -59.1 | -176.5 | 0 | 0 | 0 | 114.1 | R326 L329 I330 L333 K349 V351 E355 | R326-L353 HydrophobicContact CG-CD2 4.47Å; R326-L353 PolarHBondContact NH1-O 3.11Å; L329-L353 HydrophobicContact CD2-CD2 3.77Å; L329-L353 HydrophobicContact CG-CD2 3.96Å; I330-L353 HydrophobicContact CG1-CD1 4.18Å; I330-L353 HydrophobicContact CG1-CD2 4.07Å; L333-L353 HydrophobicContact CD1-CD1 4.02Å; L333-L353 HydrophobicContact CD1-CD2 4.13Å; L333-L353 HydrophobicContact CD1-CG 3.92Å; K349-L353 HydrophobicContact CD-CD1 4.32Å; K349-L353 HydrophobicContact CG-CD1 3.65Å; K349-L353 HydrophobicContact CG-CG 4.31Å; K349-L353 VanDerWaalsContact O-CB 3.26Å; K349-L353 WeakPolarHBondContact O-CB 3.42Å; K349-L353 WeakPolarHBondContact O-CG 3.46Å; K349-L353 PolarHBondContact O-N 3.3Å; V351-L353 PolarHBondContact O-N 3.29Å; L353-E355 HydrophobicContact CB-CG 3.83Å; L353-E355 PolarHBondContact O-N 3.32Å |
| 354 | N | 83.6 | Confident | 71.6 | Confident | 133 Ų | 133 | 83.2 Ų | 83.2 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.2 | -170.1 | -63.8 | -45.8 | 0 | 0 | 0 | 112.2 | Q321 A350 V351 | Q321-N354 PolarHBondContact NE2-ND2 2.98Å; Q321-N354 PolarHBondContact NE2-OD1 3.17Å; A350-N354 WeakPolarHBondContact O-CA 3.42Å; A350-N354 PolarHBondContact O-N 3.2Å; V351-N354 PolarHBondContact O-N 3.48Å |
| 355 | E | 81.9 | Confident | 69.3 | Low | 72 Ų | 72 | 84.2 Ų | 84.2 | 34% | 0.336 | 46% | 0.46 | S | S | . | . | trans | -95.5 | 146 | 177.6 | -71.5 | 176.3 | -176.4 | 0 | 0 | 110.2 | R326 K349 A350 L353 Y357 | R326-E355 IonicContact NH2-OE1 2.94Å; R326-E355 PolarHBondContact NH2-OE1 2.84Å; R326-E355 VanDerWaalsContact NH2-OE1 3.09Å; K349-E355 WeakPolarHBondContact CE-OE2 3.31Å; K349-E355 IonicContact NZ-OE2 3.89Å; A350-E355 WeakPolarHBondContact CB-O 3.42Å; A350-E355 PolarHBondContact O-N 3.33Å; L353-E355 HydrophobicContact CB-CG 3.83Å; L353-E355 PolarHBondContact O-N 3.32Å; E355-Y357 PolarHBondContact O-N 3.13Å | ||
| 356 | P | 66.8 | Low | 66.6 | Low | 133 Ų | 133 | 86.6 Ų | 86.6 | 86% | 0.864 | 48% | 0.481 | S | S | * | . | trans | -61.6 | 132 | 175.7 | 24.6 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 357 | Y | 60.3 | Low | 64.1 | Low | 77 Ų | 77 | 87.3 Ų | 87.3 | 30% | 0.302 | 49% | 0.489 | S | S | . | . | trans | -100.8 | 112.2 | 176 | -170.2 | -101.3 | 0 | 0 | 0 | 109.6 | K346 L347 A350 E355 T359 | K346-Y357 HydrophobicContact CB-CE2 3.82Å; L347-Y357 VanDerWaalsContact CA-CE2 3.5Å; L347-Y357 HydrophobicContact CB-CE2 4Å; L347-Y357 HydrophobicContact CD1-CD1 4.36Å; L347-Y357 HydrophobicContact CD1-CD2 4.37Å; L347-Y357 HydrophobicContact CD1-CE1 4.36Å; L347-Y357 HydrophobicContact CD1-CE2 4.36Å; L347-Y357 HydrophobicContact CD1-CG 4.37Å; A350-Y357 HydrophobicContact CB-CD2 3.72Å; A350-Y357 HydrophobicContact CB-CG 4.19Å; E355-Y357 PolarHBondContact O-N 3.13Å; Y357-T359 HydrophobicContact CD1-CG2 3.76Å; Y357-T359 HydrophobicContact CE1-CG2 4.23Å; Y357-T359 PolarHBondContact O-N 2.94Å; Y357-T359 VanDerWaalsContact O-N 3.13Å | ||
| 358 | D | 57.6 | Low | 61.3 | Low | 147 Ų | 147 | 93.4 Ų | 93.4 | 79% | 0.786 | 51% | 0.513 | S | S | * | . | trans | -70.7 | 106.1 | 172.8 | -96.8 | -27.6 | 0 | 0 | 0 | 109.8 | S360 | D358-S360 PolarHBondContact O-N 3.23Å; D358-S360 VanDerWaalsContact O-N 3.16Å | ||
| 359 | T | 55.5 | Low | 58.8 | Low | 95 Ų | 95 | 100 Ų | 100 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | trans | -78.6 | 19.1 | -179.7 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | Y357 G361 | Y357-T359 HydrophobicContact CD1-CG2 3.76Å; Y357-T359 HydrophobicContact CE1-CG2 4.23Å; Y357-T359 PolarHBondContact O-N 2.94Å; Y357-T359 VanDerWaalsContact O-N 3.13Å; T359-G361 PolarHBondContact O-N 3.47Å | ||
| 360 | S | 43.9 | Very low | 57.2 | Low | 111 Ų | 111 | 101.5 Ų | 101.5 | 78% | 0.776 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -77.6 | 68.6 | 179.6 | 49 | 0 | 0 | 0 | 0 | 111.6 | D358 | D358-S360 PolarHBondContact O-N 3.23Å; D358-S360 VanDerWaalsContact O-N 3.16Å |
| 361 | G | 44 | Very low | 55.5 | Low | 72 Ų | 72 | 106.3 Ų | 106.3 | 74% | 0.742 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 153.3 | -10.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | T359 | T359-G361 PolarHBondContact O-N 3.47Š|
| 362 | E | 40.5 | Very low | 53.7 | Low | 139 Ų | 139 | 108.2 Ų | 108.2 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | trans | -135.2 | 138.1 | -170.7 | -74.2 | 178.7 | 170 | 0 | 0 | 114.1 | L364 | E362-L364 PolarHBondContact O-N 3.08Š| ||
| 363 | Q | 37.9 | Very low | 51.6 | Low | 195 Ų | 195 | 114.3 Ų | 114.3 | 91% | 0.911 | 64% | 0.638 | S | S | * | * | trans | -55.3 | 117.8 | -178.1 | -70.5 | 178.1 | -10.8 | 0 | 0 | 111.4 | I365 | Q363-I365 PolarHBondContact O-N 3.09Š| ||
| 364 | L | 37.3 | Very low | 49.2 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | trans | -61.3 | 104.5 | 175 | -90.1 | 133 | 0 | 0 | 0 | 111 | E362 S366 | E362-L364 PolarHBondContact O-N 3.08Å; L364-S366 PolarHBondContact O-N 3.16Å | ||
| 365 | I | 39.1 | Very low | 47 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 56% | 0.564 | 67% | 0.674 | S | S | * | * | trans | -71.6 | 110.6 | 154.1 | -61 | 176.4 | 0 | 0 | 0 | 106.1 | Q363 I367 | Q363-I365 PolarHBondContact O-N 3.09Å; I365-I367 PolarHBondContact O-N 3.44Å | ||
| 366 | S | 33.6 | Very low | 44.5 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 56% | 0.559 | 70% | 0.698 | S | S | * | * | trans | -57.1 | 92.5 | 175 | 166.2 | 0 | 0 | 0 | 0 | 110.8 | L364 K368 | L364-S366 PolarHBondContact O-N 3.16Å; S366-K368 PolarHBondContact O-N 3.32Å; S366-K368 VanDerWaalsContact O-N 3.12Å; S366-K368 WeakPolarHBondContact OG-CG 3.4Å; S366-K368 PolarHBondContact OG-N 2.66Å | ||
| 367 | I | 37.7 | Very low | 42.7 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 61% | 0.605 | 69% | 0.686 | S | S | * | * | trans | -77.8 | 79.9 | 150.7 | -52.2 | 176.7 | 0 | 0 | 0 | 105 | L347 I365 | L347-I367 HydrophobicContact CD2-CD1 4Å; I365-I367 PolarHBondContact O-N 3.44Å | ||
| 368 | K | 30 | Very low | 41.3 | Very low | 166 Ų | 166 | 127 Ų | 127 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -73.5 | 139.5 | 164.6 | -94.6 | 175 | 179.3 | -179.3 | 0 | 107.1 | S366 | S366-K368 PolarHBondContact O-N 3.32Å; S366-K368 VanDerWaalsContact O-N 3.12Å; S366-K368 WeakPolarHBondContact OG-CG 3.4Å; S366-K368 PolarHBondContact OG-N 2.66Å | ||
| 369 | P | 38.5 | Very low | 39.8 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 99% | 0.987 | 71% | 0.712 | S | S | * | * | trans | -55.7 | 0 | 172 | 24.6 | -32.5 | 0 | 0 | 0 | 111.5 |
Retrieved 369 of 369 residues in 74.9 ms
(Link to these results)