| 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 | A | 46.6 | Very low | 62.6 | Low | 156 Ų | 156 | 103.6 Ų | 103.6 | 100% | 1.289 | 63% | 0.629 | S | S | * | * | 0 | 126.6 | 0 | 0 | 0 | 0 | 0 | 0 | 108.3 | M3 | A1-M3 PolarHBondContact O-N 3.17Š| |||
| 2 | K | 49.8 | Very low | 62.8 | Low | 217 Ų | 217 | 103.3 Ų | 103.3 | 94% | 0.943 | 62% | 0.62 | S | S | * | * | trans | -76.6 | 109.1 | 177.8 | -75 | -178 | 176.9 | -179.6 | 0 | 108 | S4 | K2-S4 PolarHBondContact O-N 3.34Š| ||
| 3 | M | 48.7 | Very low | 62.7 | Low | 117 Ų | 117 | 99.7 Ų | 99.7 | 58% | 0.576 | 61% | 0.608 | S | S | * | * | trans | -60.6 | 119.9 | 172.7 | -137.5 | 169.4 | 75.3 | 0 | 0 | 107.7 | A1 I7 L8 L11 | A1-M3 PolarHBondContact O-N 3.17Å; M3-I7 HydrophobicContact CG-CG2 4.17Å; M3-L8 HydrophobicContact CE-CB 4.42Å; M3-L8 HydrophobicContact CE-CD1 3.62Å; M3-L11 HydrophobicContact CE-CD1 4.04Å | ||
| 4 | S | 67.9 | Low | 62.7 | Low | 70 Ų | 70 | 98.5 Ų | 98.5 | 49% | 0.49 | 60% | 0.601 | S | S | . | * | trans | -59.8 | 138.5 | -179.3 | 166.4 | 0 | 0 | 0 | 0 | 110 | K2 G6 I7 L8 | K2-S4 PolarHBondContact O-N 3.34Å; S4-G6 PolarHBondContact O-N 3.43Å; S4-G6 VanDerWaalsContact O-N 3.07Å; S4-G6 PolarHBondContact OG-N 2.9Å; S4-I7 WeakPolarHBondContact O-CB 3.48Å; S4-I7 PolarHBondContact O-N 3.37Å; S4-L8 PolarHBondContact O-N 3.4Å | ||
| 5 | A | 63.9 | Low | 62.4 | Low | 77 Ų | 77 | 96.5 Ų | 96.5 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -53.9 | -28.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L8 V9 | A5-L8 PolarHBondContact O-N 3.44Å; A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 3.13Å |
| 6 | G | 66.2 | Low | 62.1 | Low | 41 Ų | 41 | 94.4 Ų | 94.4 | 42% | 0.423 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.9 | -34.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S4 V10 | S4-G6 PolarHBondContact O-N 3.43Å; S4-G6 VanDerWaalsContact O-N 3.07Å; S4-G6 PolarHBondContact OG-N 2.9Å; G6-V10 WeakPolarHBondContact O-CB 3.35Å; G6-V10 VanDerWaalsContact O-CG2 3.24Å; G6-V10 WeakPolarHBondContact O-CG2 3.22Å; G6-V10 PolarHBondContact O-N 2.96Å |
| 7 | I | 68.9 | Low | 61.7 | Low | 90 Ų | 90 | 91.9 Ų | 91.9 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.9 | -38 | 176.5 | -64.5 | 172.3 | 0 | 0 | 0 | 110.1 | M3 S4 V10 L11 | M3-I7 HydrophobicContact CG-CG2 4.17Å; S4-I7 WeakPolarHBondContact O-CB 3.48Å; S4-I7 PolarHBondContact O-N 3.37Å; I7-V10 PolarHBondContact O-N 2.84Å; I7-L11 HydrophobicContact CG2-CD1 3.78Å; I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 WeakPolarHBondContact O-CD1 3.48Å; I7-L11 WeakPolarHBondContact O-CG 3.16Å; I7-L11 PolarHBondContact O-N 2.65Å |
| 8 | L | 67.6 | Low | 61.8 | Low | 90 Ų | 90 | 91.5 Ų | 91.5 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -41.6 | 175.9 | -165.7 | 78.1 | 0 | 0 | 0 | 111.7 | M3 S4 A5 L11 L12 | M3-L8 HydrophobicContact CE-CB 4.42Å; M3-L8 HydrophobicContact CE-CD1 3.62Å; S4-L8 PolarHBondContact O-N 3.4Å; A5-L8 PolarHBondContact O-N 3.44Å; L8-L11 PolarHBondContact O-N 2.71Å; L8-L12 HydrophobicContact CD2-CD1 4.46Å; L8-L12 HydrophobicContact CG-CD1 4.08Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CD1 3.36Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 2.97Å |
| 9 | V | 71.2 | Confident | 61.7 | Low | 95 Ų | 95 | 90.1 Ų | 90.1 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.9 | -39.1 | 177 | 172 | 0 | 0 | 0 | 0 | 111.7 | A5 L12 A13 | A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 3.13Å; V9-L12 PolarHBondContact O-N 2.65Å; V9-A13 VanDerWaalsContact O-CB 3.27Å; V9-A13 WeakPolarHBondContact O-CB 3.27Å; V9-A13 PolarHBondContact O-N 3.34Å |
| 10 | V | 72.2 | Confident | 61.5 | Low | 90 Ų | 90 | 92 Ų | 92 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67 | -42.8 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | G6 I7 L12 A13 V14 | G6-V10 WeakPolarHBondContact O-CB 3.35Å; G6-V10 VanDerWaalsContact O-CG2 3.24Å; G6-V10 WeakPolarHBondContact O-CG2 3.22Å; G6-V10 PolarHBondContact O-N 2.96Å; I7-V10 PolarHBondContact O-N 2.84Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 2.69Å; V10-A13 PolarHBondContact O-N 3.42Å; V10-V14 HydrophobicContact CG1-CG2 4.21Å; V10-V14 WeakPolarHBondContact O-CB 3.1Å; V10-V14 WeakPolarHBondContact O-CG2 3.29Å; V10-V14 PolarHBondContact O-N 2.82Å |
| 11 | L | 65.3 | Low | 61.6 | Low | 97 Ų | 97 | 91.8 Ų | 91.8 | 51% | 0.508 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -39.7 | 174.6 | -81.1 | 160.8 | 0 | 0 | 0 | 112.3 | M3 I7 L8 S15 | M3-L11 HydrophobicContact CE-CD1 4.04Å; I7-L11 HydrophobicContact CG2-CD1 3.78Å; I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 WeakPolarHBondContact O-CD1 3.48Å; I7-L11 WeakPolarHBondContact O-CG 3.16Å; I7-L11 PolarHBondContact O-N 2.65Å; L8-L11 PolarHBondContact O-N 2.71Å; L11-S15 WeakPolarHBondContact O-CB 3.45Å; L11-S15 PolarHBondContact O-N 3.36Å |
| 12 | L | 65.8 | Low | 62.3 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.4 | -78.7 | 161.7 | 0 | 0 | 0 | 111.9 | L8 V9 V10 S16 | L8-L12 HydrophobicContact CD2-CD1 4.46Å; L8-L12 HydrophobicContact CG-CD1 4.08Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CD1 3.36Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 2.97Å; V9-L12 PolarHBondContact O-N 2.65Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 2.69Å; L12-S16 VanDerWaalsContact O-CB 3.28Å; L12-S16 WeakPolarHBondContact O-CB 3.37Å; L12-S16 PolarHBondContact O-N 3.32Å; L12-S16 PolarHBondContact O-OG 2.81Å |
| 13 | A | 61.5 | Low | 63.1 | Low | 56 Ų | 56 | 78.3 Ų | 78.3 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V9 V10 S16 A17 | V9-A13 VanDerWaalsContact O-CB 3.27Å; V9-A13 WeakPolarHBondContact O-CB 3.27Å; V9-A13 PolarHBondContact O-N 3.34Å; V10-A13 PolarHBondContact O-N 3.42Å; A13-S16 PolarHBondContact O-N 3.3Å; A13-A17 VanDerWaalsContact O-CB 3.32Å; A13-A17 WeakPolarHBondContact O-CB 3.09Å; A13-A17 PolarHBondContact O-N 3.49Å |
| 14 | V | 62.5 | Low | 64.7 | Low | 83 Ų | 83 | 77.6 Ų | 77.6 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V10 S16 A17 V18 | V10-V14 HydrophobicContact CG1-CG2 4.21Å; V10-V14 WeakPolarHBondContact O-CB 3.1Å; V10-V14 WeakPolarHBondContact O-CG2 3.29Å; V10-V14 PolarHBondContact O-N 2.82Å; V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 3.29Å; V14-A17 PolarHBondContact O-N 3.06Å; V14-V18 HydrophobicContact CG1-CG2 4.38Å; V14-V18 WeakPolarHBondContact O-CB 3.3Å; V14-V18 VanDerWaalsContact O-CG2 3.24Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 2.7Å |
| 15 | S | 58.3 | Low | 65.9 | Low | 68 Ų | 68 | 75.2 Ų | 75.2 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 112 | L11 S19 | L11-S15 WeakPolarHBondContact O-CB 3.45Å; L11-S15 PolarHBondContact O-N 3.36Å; S15-S19 WeakPolarHBondContact O-CB 3.29Å; S15-S19 PolarHBondContact O-N 3.1Å; S15-S19 PolarHBondContact O-OG 2.92Å |
| 16 | S | 57.1 | Low | 67.2 | Low | 64 Ų | 64 | 73.4 Ų | 73.4 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | L12 A13 V14 S19 L20 | L12-S16 VanDerWaalsContact O-CB 3.28Å; L12-S16 WeakPolarHBondContact O-CB 3.37Å; L12-S16 PolarHBondContact O-N 3.32Å; L12-S16 PolarHBondContact O-OG 2.81Å; A13-S16 PolarHBondContact O-N 3.3Å; V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 3.29Å; S16-S19 PolarHBondContact O-N 3.1Å; S16-L20 WeakPolarHBondContact O-CD1 3.18Å; S16-L20 WeakPolarHBondContact O-CG 3.15Å; S16-L20 PolarHBondContact O-N 3.49Å |
| 17 | A | 56.3 | Low | 68.5 | Low | 51 Ų | 51 | 75 Ų | 75 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A13 V14 S19 L20 V21 | A13-A17 VanDerWaalsContact O-CB 3.32Å; A13-A17 WeakPolarHBondContact O-CB 3.09Å; A13-A17 PolarHBondContact O-N 3.49Å; V14-A17 PolarHBondContact O-N 3.06Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-L20 PolarHBondContact O-N 2.95Å; A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 3Å |
| 18 | V | 61.8 | Low | 69.8 | Low | 85 Ų | 85 | 75.5 Ų | 75.5 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 173.7 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V14 L20 V21 T22 | V14-V18 HydrophobicContact CG1-CG2 4.38Å; V14-V18 WeakPolarHBondContact O-CB 3.3Å; V14-V18 VanDerWaalsContact O-CG2 3.24Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 2.7Å; V18-L20 VanDerWaalsContact C-N 3.35Å; V18-L20 PolarHBondContact O-N 3.43Å; V18-V21 PolarHBondContact O-N 3.02Å; V18-T22 HydrophobicContact CG1-CG2 4.37Å; V18-T22 WeakPolarHBondContact O-CB 3.18Å; V18-T22 VanDerWaalsContact O-CG2 3.31Å; V18-T22 WeakPolarHBondContact O-CG2 3.15Å; V18-T22 PolarHBondContact O-N 2.9Å; V18-T22 PolarHBondContact O-OG1 3.18Å |
| 19 | S | 60 | Low | 71.2 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | 175.7 | -58 | 0 | 0 | 0 | 0 | 112.8 | S15 S16 A17 T22 A23 | S15-S19 WeakPolarHBondContact O-CB 3.29Å; S15-S19 PolarHBondContact O-N 3.1Å; S15-S19 PolarHBondContact O-OG 2.92Å; S16-S19 PolarHBondContact O-N 3.1Å; A17-S19 VanDerWaalsContact C-N 3.34Å; S19-T22 WeakPolarHBondContact CA-OG1 3.47Å; S19-T22 PolarHBondContact O-OG1 3Å; S19-T22 VanDerWaalsContact O-OG1 3.1Å; S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.4Å; S19-A23 PolarHBondContact O-N 2.85Å; S19-A23 VanDerWaalsContact O-N 3.15Å |
| 20 | L | 59 | Low | 72.4 | Confident | 127 Ų | 127 | 71.4 Ų | 71.4 | 67% | 0.665 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71.1 | -41.6 | 176.4 | -80.6 | 157.7 | 0 | 0 | 0 | 112.5 | S16 A17 V18 D24 | S16-L20 WeakPolarHBondContact O-CD1 3.18Å; S16-L20 WeakPolarHBondContact O-CG 3.15Å; S16-L20 PolarHBondContact O-N 3.49Å; A17-L20 PolarHBondContact O-N 2.95Å; V18-L20 VanDerWaalsContact C-N 3.35Å; V18-L20 PolarHBondContact O-N 3.43Å; L20-D24 PolarHBondContact O-N 3.21Å |
| 21 | V | 62.7 | Low | 73.5 | Confident | 89 Ų | 89 | 68.9 Ų | 68.9 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | A17 V18 D24 V25 | A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 3Å; V18-V21 PolarHBondContact O-N 3.02Å; V21-D24 WeakPolarHBondContact O-CB 3.05Å; V21-D24 PolarHBondContact O-N 3.05Å; V21-V25 WeakPolarHBondContact O-CG2 3.49Å; V21-V25 PolarHBondContact O-N 2.72Å; V21-V25 VanDerWaalsContact O-N 3.15Å |
| 22 | T | 62.2 | Low | 75.1 | Confident | 27 Ų | 27 | 64.5 Ų | 64.5 | 17% | 0.166 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 176.9 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | V18 S19 D24 V25 E26 Q91 | V18-T22 HydrophobicContact CG1-CG2 4.37Å; V18-T22 WeakPolarHBondContact O-CB 3.18Å; V18-T22 VanDerWaalsContact O-CG2 3.31Å; V18-T22 WeakPolarHBondContact O-CG2 3.15Å; V18-T22 PolarHBondContact O-N 2.9Å; V18-T22 PolarHBondContact O-OG1 3.18Å; S19-T22 WeakPolarHBondContact CA-OG1 3.47Å; S19-T22 PolarHBondContact O-OG1 3Å; S19-T22 VanDerWaalsContact O-OG1 3.1Å; T22-D24 VanDerWaalsContact C-N 3.28Å; T22-D24 PolarHBondContact O-N 3.32Å; T22-V25 PolarHBondContact O-N 2.67Å; T22-E26 WeakPolarHBondContact O-CB 3.45Å; T22-E26 PolarHBondContact O-N 3.31Å; T22-Q91 HydrophobicContact CG2-CB 4.46Å |
| 23 | A | 65.8 | Low | 76.6 | Confident | 63 Ų | 63 | 60 Ų | 60 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -32.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S19 S27 | S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.4Å; S19-A23 PolarHBondContact O-N 2.85Å; S19-A23 VanDerWaalsContact O-N 3.15Å; A23-S27 WeakPolarHBondContact O-CB 3.47Å; A23-S27 PolarHBondContact O-N 2.79Å |
| 24 | D | 83.3 | Confident | 78.2 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 54% | 0.54 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.7 | -49.8 | 176.9 | -161.5 | 43.7 | 0 | 0 | 0 | 111.2 | L20 V21 T22 E26 S27 E28 | L20-D24 PolarHBondContact O-N 3.21Å; V21-D24 WeakPolarHBondContact O-CB 3.05Å; V21-D24 PolarHBondContact O-N 3.05Å; T22-D24 VanDerWaalsContact C-N 3.28Å; T22-D24 PolarHBondContact O-N 3.32Å; D24-E26 PolarHBondContact O-N 2.9Å; D24-S27 PolarHBondContact O-N 3.47Å; D24-E28 WeakPolarHBondContact O-CG 3.48Å; D24-E28 PolarHBondContact O-N 3.31Å |
| 25 | V | 91.3 | Very high | 79.9 | Confident | 21 Ų | 21 | 65 Ų | 65 | 13% | 0.127 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178.1 | 175 | 0 | 0 | 0 | 0 | 112.1 | V21 T22 E28 A29 Y87 I92 | V21-V25 WeakPolarHBondContact O-CG2 3.49Å; V21-V25 PolarHBondContact O-N 2.72Å; V21-V25 VanDerWaalsContact O-N 3.15Å; T22-V25 PolarHBondContact O-N 2.67Å; V25-E28 PolarHBondContact O-N 3.14Å; V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 3.06Å; V25-Y87 HydrophobicContact CG1-CD1 4.3Å; V25-I92 HydrophobicContact CG1-CD1 4.2Å |
| 26 | E | 92.9 | Very high | 81.7 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 178.9 | -171.9 | 173.5 | 110.8 | 0 | 0 | 112.1 | T22 D24 A29 R30 I92 N93 D94 I97 | T22-E26 WeakPolarHBondContact O-CB 3.45Å; T22-E26 PolarHBondContact O-N 3.31Å; D24-E26 PolarHBondContact O-N 2.9Å; E26-A29 PolarHBondContact O-N 3.11Å; E26-R30 WeakPolarHBondContact O-CB 3.44Å; E26-R30 PolarHBondContact O-N 3.36Å; E26-I92 HydrophobicContact CB-CD1 4.4Å; E26-N93 WeakPolarHBondContact OE2-CA 3.18Å; E26-N93 PolarHBondContact OE2-N 3.46Å; E26-D94 PolarHBondContact OE2-N 2.72Å; E26-I97 HydrophobicContact CG-CD1 3.97Å |
| 27 | S | 93.3 | Very high | 83.6 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 53% | 0.531 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | A23 D24 R30 A31 | A23-S27 WeakPolarHBondContact O-CB 3.47Å; A23-S27 PolarHBondContact O-N 2.79Å; D24-S27 PolarHBondContact O-N 3.47Å; S27-R30 PolarHBondContact O-N 2.96Å; S27-A31 PolarHBondContact O-N 3.49Å; S27-A31 VanDerWaalsContact O-N 3.1Å |
| 28 | E | 95.6 | Very high | 85.4 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 175 | -69.6 | -173.6 | 166.5 | 0 | 0 | 112.1 | D24 V25 R30 A31 F32 Y87 | D24-E28 WeakPolarHBondContact O-CG 3.48Å; D24-E28 PolarHBondContact O-N 3.31Å; V25-E28 PolarHBondContact O-N 3.14Å; E28-R30 VanDerWaalsContact C-N 3.33Å; E28-R30 PolarHBondContact O-N 3.5Å; E28-A31 PolarHBondContact O-N 2.91Å; E28-F32 WeakPolarHBondContact O-CB 3.38Å; E28-F32 PolarHBondContact O-N 3.36Å; E28-Y87 HydrophobicContact CB-CE1 3.73Å |
| 29 | A | 96.5 | Very high | 87 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V25 E26 F32 L33 Y87 I92 I97 L101 | V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 3.06Å; E26-A29 PolarHBondContact O-N 3.11Å; A29-F32 WeakPolarHBondContact O-CB 3.28Å; A29-F32 PolarHBondContact O-N 3.5Å; A29-L33 WeakPolarHBondContact O-CG 3.49Å; A29-L33 PolarHBondContact O-N 3.29Å; A29-Y87 HydrophobicContact CB-CD1 3.73Å; A29-Y87 HydrophobicContact CB-CD2 4.39Å; A29-Y87 HydrophobicContact CB-CE1 4.28Å; A29-Y87 HydrophobicContact CB-CG 3.8Å; A29-I92 HydrophobicContact CB-CD1 4.03Å; A29-I97 HydrophobicContact CB-CG2 4.11Å; A29-L101 HydrophobicContact CB-CD1 4.15Å |
| 30 | R | 96.4 | Very high | 88.7 | Confident | 99 Ų | 99 | 60.4 Ų | 60.4 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -51.5 | 174.8 | -170.3 | 179 | -61.3 | -81.6 | -1 | 111.2 | E26 S27 E28 F32 L33 E34 D94 I97 | E26-R30 WeakPolarHBondContact O-CB 3.44Å; E26-R30 PolarHBondContact O-N 3.36Å; S27-R30 PolarHBondContact O-N 2.96Å; E28-R30 VanDerWaalsContact C-N 3.33Å; E28-R30 PolarHBondContact O-N 3.5Å; R30-F32 VanDerWaalsContact C-N 3.25Å; R30-F32 PolarHBondContact O-N 3.14Å; R30-L33 PolarHBondContact O-N 3.21Å; R30-E34 WeakPolarHBondContact O-CG 3.43Å; R30-E34 PolarHBondContact O-N 3.44Å; R30-D94 IonicContact CZ-OD2 3.82Å; R30-D94 IonicContact NH1-OD2 2.72Å; R30-D94 IonicContact NH2-OD2 3.63Å; R30-D94 PolarHBondContact NH2-OD2 3.15Å; R30-I97 HydrophobicContact CB-CD1 3.77Å; R30-I97 HydrophobicContact CG-CD1 4.14Å; R30-I97 VanDerWaalsContact NH2-CD1 3.29Å |
| 31 | A | 96.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 55 Ų | 55 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S27 E28 R35 | S27-A31 PolarHBondContact O-N 3.49Å; S27-A31 VanDerWaalsContact O-N 3.1Å; E28-A31 PolarHBondContact O-N 2.91Å; A31-R35 WeakPolarHBondContact O-CG 3.46Å; A31-R35 PolarHBondContact O-N 3.04Å; A31-R35 PolarHBondContact O-NH1 3.4Å |
| 32 | F | 97.6 | Very high | 92 | Very high | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 172.7 | 166.1 | -96.6 | 0 | 0 | 0 | 112.1 | E28 A29 R30 E34 R35 F36 M80 E83 Y87 L101 L104 | E28-F32 WeakPolarHBondContact O-CB 3.38Å; E28-F32 PolarHBondContact O-N 3.36Å; A29-F32 WeakPolarHBondContact O-CB 3.28Å; A29-F32 PolarHBondContact O-N 3.5Å; R30-F32 VanDerWaalsContact C-N 3.25Å; R30-F32 PolarHBondContact O-N 3.14Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 3.41Å; F32-R35 PolarHBondContact O-N 3.43Å; F32-F36 WeakPolarHBondContact O-CB 3.34Å; F32-F36 PolarHBondContact O-N 2.85Å; F32-M80 HydrophobicContact CE2-SD 4.12Å; F32-M80 HydrophobicContact CZ-CB 4.44Å; F32-M80 WeakPolarHBondContact CZ-O 3.26Å; F32-M80 HydrophobicContact CZ-SD 4.44Å; F32-E83 HydrophobicContact CE2-CB 3.91Å; F32-E83 HydrophobicContact CZ-CB 4.34Å; F32-Y87 HydrophobicContact CB-CE2 3.67Å; F32-Y87 HydrophobicContact CD1-CD2 4.1Å; F32-Y87 AromaticContact CD1-CE2 3.67Å; F32-Y87 HydrophobicContact CD1-CE2 3.67Å; F32-Y87 AromaticContact CD2-CE2 3.99Å; F32-Y87 HydrophobicContact CD2-CE2 3.99Å; F32-Y87 HydrophobicContact CE1-CE2 4.32Å; F32-Y87 HydrophobicContact CG-CD2 4.35Å; F32-Y87 AromaticContact CG-CE2 3.48Å; F32-Y87 HydrophobicContact CG-CE2 3.48Å; F32-Y87 VanDerWaalsContact CG-CE2 3.48Å; F32-L101 HydrophobicContact CD1-CD2 4.43Å; F32-L101 HydrophobicContact CE1-CD2 4.41Å; F32-L104 HydrophobicContact CE1-CD2 3.65Å; F32-L104 HydrophobicContact CZ-CD2 3.91Å |
| 33 | L | 97.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 179.5 | -72.3 | 174.7 | 0 | 0 | 0 | 112.7 | A29 R30 F36 D37 I97 Q100 L101 L104 | A29-L33 WeakPolarHBondContact O-CG 3.49Å; A29-L33 PolarHBondContact O-N 3.29Å; R30-L33 PolarHBondContact O-N 3.21Å; L33-F36 WeakPolarHBondContact O-CB 3.16Å; L33-F36 PolarHBondContact O-N 3.43Å; L33-D37 WeakPolarHBondContact O-CB 3.47Å; L33-D37 PolarHBondContact O-N 3.01Å; L33-I97 HydrophobicContact CD1-CB 4.29Å; L33-I97 HydrophobicContact CD1-CG1 4.36Å; L33-I97 HydrophobicContact CD1-CG2 3.83Å; L33-Q100 HydrophobicContact CD1-CB 3.77Å; L33-Q100 HydrophobicContact CD2-CB 3.94Å; L33-L101 HydrophobicContact CD1-CG 4.31Å; L33-L101 HydrophobicContact CD2-CD2 4.18Å; L33-L101 HydrophobicContact CG-CD2 4.4Å; L33-L104 HydrophobicContact CD2-CD2 4.41Å |
| 34 | E | 96.5 | Very high | 95.1 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 173.9 | -74 | 170.6 | -176.3 | 0 | 0 | 111.4 | R30 F32 F36 D37 E38 | R30-E34 WeakPolarHBondContact O-CG 3.43Å; R30-E34 PolarHBondContact O-N 3.44Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 3.41Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.42Å; E34-D37 PolarHBondContact O-N 2.96Å; E34-E38 PolarHBondContact O-N 3.37Å |
| 35 | R | 96.8 | Very high | 95.8 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 174.3 | -69.8 | -170.4 | -54.3 | -84.9 | 4.1 | 112.2 | A31 F32 N39 | A31-R35 WeakPolarHBondContact O-CG 3.46Å; A31-R35 PolarHBondContact O-N 3.04Å; A31-R35 PolarHBondContact O-NH1 3.4Å; F32-R35 PolarHBondContact O-N 3.43Å; R35-N39 WeakPolarHBondContact O-CB 3.32Å; R35-N39 PolarHBondContact O-N 2.97Å; R35-N39 PolarHBondContact O-ND2 3.18Å |
| 36 | F | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 174.7 | 168.7 | -91.5 | 0 | 0 | 0 | 110.4 | F32 L33 E34 E38 N39 A40 F76 Y77 M80 L104 Y396 I397 | F32-F36 WeakPolarHBondContact O-CB 3.34Å; F32-F36 PolarHBondContact O-N 2.85Å; L33-F36 WeakPolarHBondContact O-CB 3.16Å; L33-F36 PolarHBondContact O-N 3.43Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.42Å; F36-E38 PolarHBondContact O-N 3.49Å; F36-N39 PolarHBondContact O-N 3Å; F36-A40 HydrophobicContact CD1-CB 4.33Å; F36-A40 HydrophobicContact CE1-CB 3.89Å; F36-A40 HydrophobicContact CE2-CB 4.16Å; F36-A40 HydrophobicContact CZ-CB 3.81Å; F36-A40 WeakPolarHBondContact O-CA 3.37Å; F36-A40 WeakPolarHBondContact O-CB 3.36Å; F36-A40 PolarHBondContact O-N 3.36Å; F36-F76 HydrophobicContact CD2-CE1 4.13Å; F36-F76 AromaticContact CD2-CZ 3.95Å; F36-F76 HydrophobicContact CD2-CZ 3.95Å; F36-F76 AromaticContact CE2-CE1 3.89Å; F36-F76 HydrophobicContact CE2-CE1 3.89Å; F36-F76 HydrophobicContact CE2-CZ 4.19Å; F36-Y77 HydrophobicContact CE2-CD2 4.28Å; F36-Y77 HydrophobicContact CE2-CE2 4.42Å; F36-Y77 HydrophobicContact CZ-CD2 4.2Å; F36-Y77 HydrophobicContact CZ-CE2 4.01Å; F36-M80 HydrophobicContact CD2-CB 3.67Å; F36-M80 HydrophobicContact CD2-CG 3.7Å; F36-M80 HydrophobicContact CD2-SD 4.31Å; F36-M80 HydrophobicContact CE2-CB 3.93Å; F36-M80 HydrophobicContact CE2-CG 4.16Å; F36-L104 HydrophobicContact CD2-CD1 4.33Å; F36-L104 HydrophobicContact CD2-CD2 4.12Å; F36-L104 HydrophobicContact CE2-CD1 3.7Å; F36-L104 HydrophobicContact CE2-CD2 4.28Å; F36-L104 HydrophobicContact CG-CD2 4.32Å; F36-L104 HydrophobicContact CZ-CD1 3.95Å; F36-Y396 HydrophobicContact CE1-CD1 4.29Å; F36-Y396 HydrophobicContact CZ-CD1 4.47Å; F36-I397 HydrophobicContact CD1-CD1 4.04Å; F36-I397 HydrophobicContact CE1-CD1 3.29Å; F36-I397 HydrophobicContact CE1-CG1 3.64Å; F36-I397 HydrophobicContact CZ-CD1 3.71Å; F36-I397 HydrophobicContact CZ-CG1 4.08Å |
| 37 | D | 96.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | -177.7 | 179.8 | 56.2 | 0 | 0 | 0 | 112.7 | L33 E34 A40 S41 R359 Y396 R399 | L33-D37 WeakPolarHBondContact O-CB 3.47Å; L33-D37 PolarHBondContact O-N 3.01Å; E34-D37 PolarHBondContact O-N 2.96Å; D37-A40 PolarHBondContact O-N 3.35Å; D37-S41 VanDerWaalsContact O-CB 3.31Å; D37-S41 WeakPolarHBondContact O-CB 3.42Å; D37-S41 PolarHBondContact O-N 3.06Å; D37-S41 PolarHBondContact O-OG 3.46Å; D37-R359 IonicContact OD1-NH2 3.28Å; D37-R359 IonicContact OD2-CZ 3.87Å; D37-R359 IonicContact OD2-NH2 3.97Å; D37-R359 PolarHBondContact OD2-NH2 2.71Å; D37-Y396 WeakPolarHBondContact OD1-CA 3.31Å; D37-Y396 WeakPolarHBondContact OD1-CB 3.44Å; D37-Y396 PolarHBondContact OD1-N 3.39Å; D37-R399 IonicContact OD1-NH2 2.66Å; D37-R399 PolarHBondContact OD1-NH2 3.3Å; D37-R399 IonicContact OD2-NH2 2.87Å |
| 38 | E | 94.6 | Very high | 96.5 | Very high | 144 Ų | 144 | 53.4 Ų | 53.4 | 67% | 0.673 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.2 | -50 | 178.6 | -70 | -178.7 | 170.3 | 0 | 0 | 111.5 | E34 F36 D42 | E34-E38 PolarHBondContact O-N 3.37Å; F36-E38 PolarHBondContact O-N 3.49Å; E38-D42 PolarHBondContact O-N 3.24Å |
| 39 | N | 96.1 | Very high | 96.6 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.9 | -37.4 | -179.5 | -75.4 | -57.6 | 0 | 0 | 0 | 112.4 | R35 F36 K43 F76 | R35-N39 WeakPolarHBondContact O-CB 3.32Å; R35-N39 PolarHBondContact O-N 2.97Å; R35-N39 PolarHBondContact O-ND2 3.18Å; F36-N39 PolarHBondContact O-N 3Å; N39-K43 WeakPolarHBondContact O-CB 3.3Å; N39-K43 VanDerWaalsContact O-CG 3.3Å; N39-K43 WeakPolarHBondContact O-CG 3.46Å; N39-K43 PolarHBondContact O-N 3.29Å; N39-F76 HydrophobicContact CB-CE2 3.7Å; N39-F76 HydrophobicContact CB-CZ 3.55Å |
| 40 | A | 95.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | F36 D37 D42 K43 M44 W73 F76 Y396 | F36-A40 HydrophobicContact CD1-CB 4.33Å; F36-A40 HydrophobicContact CE1-CB 3.89Å; F36-A40 HydrophobicContact CE2-CB 4.16Å; F36-A40 HydrophobicContact CZ-CB 3.81Å; F36-A40 WeakPolarHBondContact O-CA 3.37Å; F36-A40 WeakPolarHBondContact O-CB 3.36Å; F36-A40 PolarHBondContact O-N 3.36Å; D37-A40 PolarHBondContact O-N 3.35Å; A40-D42 PolarHBondContact O-N 3.32Å; A40-K43 PolarHBondContact O-N 3.42Å; A40-M44 WeakPolarHBondContact O-CB 3.5Å; A40-M44 PolarHBondContact O-N 3.22Å; A40-W73 HydrophobicContact CB-CH2 4.1Å; A40-W73 HydrophobicContact CB-CZ3 4Å; A40-F76 HydrophobicContact CB-CE1 3.92Å; A40-F76 HydrophobicContact CB-CZ 4.42Å; A40-Y396 HydrophobicContact CB-CD1 3.83Å; A40-Y396 HydrophobicContact CB-CE1 4.42Å; A40-Y396 HydrophobicContact CB-CG 4.06Å |
| 41 | S | 95.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 48 Ų | 48 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | D37 Y45 G357 R399 | D37-S41 VanDerWaalsContact O-CB 3.31Å; D37-S41 WeakPolarHBondContact O-CB 3.42Å; D37-S41 PolarHBondContact O-N 3.06Å; D37-S41 PolarHBondContact O-OG 3.46Å; S41-Y45 WeakPolarHBondContact O-CB 3.43Å; S41-Y45 PolarHBondContact O-N 3.29Å; S41-G357 WeakPolarHBondContact CB-O 3.46Å; S41-R399 PolarHBondContact OG-NH2 3.45Å |
| 42 | D | 96.3 | Very high | 96.6 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.3 | 170.8 | 74.4 | 0 | 0 | 0 | 112.7 | E38 A40 Y45 K46 | E38-D42 PolarHBondContact O-N 3.24Å; A40-D42 PolarHBondContact O-N 3.32Å; D42-Y45 PolarHBondContact O-N 3.47Å; D42-K46 PolarHBondContact O-N 3.41Å; D42-K46 WeakPolarHBondContact OD1-CE 3.4Å; D42-K46 IonicContact OD1-NZ 2.71Å; D42-K46 PolarHBondContact OD1-NZ 3.04Å; D42-K46 IonicContact OD2-NZ 2.65Å; D42-K46 PolarHBondContact OD2-NZ 2.96Å |
| 43 | K | 96.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -41.6 | -177.9 | -69.3 | -178.9 | -164.6 | -45.5 | 0 | 112 | N39 A40 Y45 K46 Y47 W73 F76 | N39-K43 WeakPolarHBondContact O-CB 3.3Å; N39-K43 VanDerWaalsContact O-CG 3.3Å; N39-K43 WeakPolarHBondContact O-CG 3.46Å; N39-K43 PolarHBondContact O-N 3.29Å; A40-K43 PolarHBondContact O-N 3.42Å; K43-Y45 VanDerWaalsContact C-N 3.27Å; K43-Y45 PolarHBondContact O-N 3.08Å; K43-K46 PolarHBondContact O-N 3.38Å; K43-Y47 PolarHBondContact O-N 2.66Å; K43-W73 HydrophobicContact CB-CE3 3.96Å; K43-W73 HydrophobicContact CB-CZ3 4.39Å; K43-F76 HydrophobicContact CD-CB 3.66Å; K43-F76 HydrophobicContact CD-CD1 3.69Å; K43-F76 HydrophobicContact CD-CD2 3.81Å; K43-F76 HydrophobicContact CD-CE1 4.28Å; K43-F76 HydrophobicContact CD-CE2 4.38Å; K43-F76 HydrophobicContact CD-CG 3.42Å; K43-F76 VanDerWaalsContact CD-CG 3.42Å; K43-F76 VanDerWaalsContact CE-CD2 3.44Å |
| 44 | M | 95.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 175.9 | -178 | 51.2 | 61.2 | 0 | 0 | 111.1 | A40 Y47 S48 W73 Y396 | A40-M44 WeakPolarHBondContact O-CB 3.5Å; A40-M44 PolarHBondContact O-N 3.22Å; M44-Y47 HydrophobicContact CE-CD1 4.2Å; M44-Y47 PolarHBondContact O-N 2.88Å; M44-Y47 HydrophobicContact SD-CD1 3.69Å; M44-Y47 HydrophobicContact SD-CE1 4.48Å; M44-S48 VanDerWaalsContact O-CB 3.26Å; M44-S48 WeakPolarHBondContact O-CB 3.47Å; M44-S48 PolarHBondContact O-N 2.96Å; M44-S48 PolarHBondContact O-OG 3.35Å; M44-W73 HydrophobicContact CB-CE3 4.37Å; M44-W73 HydrophobicContact CB-CZ3 4.09Å; M44-W73 HydrophobicContact CE-CD2 3.52Å; M44-W73 HydrophobicContact CE-CE3 3.95Å; M44-W73 HydrophobicContact CE-CG 4.07Å; M44-W73 HydrophobicContact CE-CH2 3.86Å; M44-W73 HydrophobicContact CE-CZ2 3.41Å; M44-W73 VanDerWaalsContact CE-CZ2 3.41Å; M44-W73 HydrophobicContact CE-CZ3 4.09Å; M44-Y396 HydrophobicContact CB-CE2 3.83Å; M44-Y396 WeakPolarHBondContact CE-OH 3.33Å; M44-Y396 HydrophobicContact CG-CE2 3.65Å; M44-Y396 WeakPolarHBondContact CG-OH 3.48Å |
| 45 | Y | 97.6 | Very high | 95.8 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 26% | 0.255 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.2 | -176.3 | -119.4 | 0 | 0 | 0 | 113.1 | S41 D42 K43 Y47 S48 L49 M356 N358 D361 | S41-Y45 WeakPolarHBondContact O-CB 3.43Å; S41-Y45 PolarHBondContact O-N 3.29Å; D42-Y45 PolarHBondContact O-N 3.47Å; K43-Y45 VanDerWaalsContact C-N 3.27Å; K43-Y45 PolarHBondContact O-N 3.08Å; Y45-Y47 PolarHBondContact O-N 3.19Å; Y45-S48 PolarHBondContact O-N 2.89Å; Y45-L49 HydrophobicContact CD1-CD1 4.03Å; Y45-L49 HydrophobicContact CD2-CG 4.43Å; Y45-L49 HydrophobicContact CE1-CD1 3.62Å; Y45-L49 HydrophobicContact CE1-CG 4.4Å; Y45-L49 HydrophobicContact CE2-CD1 4.2Å; Y45-L49 HydrophobicContact CE2-CD2 4.28Å; Y45-L49 HydrophobicContact CE2-CG 4.1Å; Y45-L49 HydrophobicContact CG-CD1 4.49Å; Y45-L49 WeakPolarHBondContact O-CB 3.25Å; Y45-L49 WeakPolarHBondContact O-CG 3.45Å; Y45-L49 PolarHBondContact O-N 2.94Å; Y45-M356 WeakPolarHBondContact CA-O 3.43Å; Y45-M356 HydrophobicContact CD2-CB 3.77Å; Y45-M356 WeakPolarHBondContact CD2-O 3.33Å; Y45-M356 HydrophobicContact CE2-CB 3.89Å; Y45-N358 HydrophobicContact CD1-CB 4.46Å; Y45-N358 HydrophobicContact CD2-CB 3.84Å; Y45-N358 HydrophobicContact CE2-CB 4.37Å; Y45-N358 HydrophobicContact CG-CB 3.91Å; Y45-D361 HydrophobicContact CE2-CB 3.99Å |
| 46 | K | 98.1 | Very high | 95.6 | Very high | 95 Ų | 95 | 42 Ų | 42 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 175.5 | -69.9 | 167.8 | -177.5 | 156.2 | 0 | 112.3 | D42 K43 A50 | D42-K46 PolarHBondContact O-N 3.41Å; D42-K46 WeakPolarHBondContact OD1-CE 3.4Å; D42-K46 IonicContact OD1-NZ 2.71Å; D42-K46 PolarHBondContact OD1-NZ 3.04Å; D42-K46 IonicContact OD2-NZ 2.65Å; D42-K46 PolarHBondContact OD2-NZ 2.96Å; K43-K46 PolarHBondContact O-N 3.38Å; K46-A50 PolarHBondContact O-N 3.13Å; K46-A50 VanDerWaalsContact O-N 3.15Å |
| 47 | Y | 96.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 44.4 Ų | 44.4 | 28% | 0.282 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 174.6 | 172.8 | -108.9 | 0 | 0 | 0 | 112.1 | K43 M44 Y45 L49 A50 S51 V66 Q69 G70 | K43-Y47 PolarHBondContact O-N 2.66Å; M44-Y47 HydrophobicContact CE-CD1 4.2Å; M44-Y47 PolarHBondContact O-N 2.88Å; M44-Y47 HydrophobicContact SD-CD1 3.69Å; M44-Y47 HydrophobicContact SD-CE1 4.48Å; Y45-Y47 PolarHBondContact O-N 3.19Å; Y47-L49 VanDerWaalsContact C-N 3.32Å; Y47-L49 PolarHBondContact O-N 3.32Å; Y47-A50 PolarHBondContact O-N 2.96Å; Y47-A50 VanDerWaalsContact O-N 3.14Å; Y47-S51 WeakPolarHBondContact O-CB 3.4Å; Y47-S51 PolarHBondContact O-N 3.35Å; Y47-V66 HydrophobicContact CD2-CG2 4.43Å; Y47-V66 HydrophobicContact CE2-CG2 3.81Å; Y47-Q69 HydrophobicContact CD2-CB 4.12Å; Y47-G70 VanDerWaalsContact CD2-CA 3.48Å |
| 48 | S | 97.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 179.5 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | M44 Y45 S51 W52 M356 | M44-S48 VanDerWaalsContact O-CB 3.26Å; M44-S48 WeakPolarHBondContact O-CB 3.47Å; M44-S48 PolarHBondContact O-N 2.96Å; M44-S48 PolarHBondContact O-OG 3.35Å; Y45-S48 PolarHBondContact O-N 2.89Å; S48-S51 PolarHBondContact O-N 2.91Å; S48-W52 WeakPolarHBondContact O-CB 3.4Å; S48-W52 PolarHBondContact O-N 3.32Å; S48-M356 VanDerWaalsContact C-CE 3.49Å; S48-M356 WeakPolarHBondContact O-CE 3.43Å; S48-M356 PolarHBondContact OG-O 3.09Å |
| 49 | L | 98.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 42 Ų | 42 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 173 | -76.1 | 173.1 | 0 | 0 | 0 | 112.7 | Y45 Y47 W52 A53 M356 | Y45-L49 HydrophobicContact CD1-CD1 4.03Å; Y45-L49 HydrophobicContact CD2-CG 4.43Å; Y45-L49 HydrophobicContact CE1-CD1 3.62Å; Y45-L49 HydrophobicContact CE1-CG 4.4Å; Y45-L49 HydrophobicContact CE2-CD1 4.2Å; Y45-L49 HydrophobicContact CE2-CD2 4.28Å; Y45-L49 HydrophobicContact CE2-CG 4.1Å; Y45-L49 HydrophobicContact CG-CD1 4.49Å; Y45-L49 WeakPolarHBondContact O-CB 3.25Å; Y45-L49 WeakPolarHBondContact O-CG 3.45Å; Y45-L49 PolarHBondContact O-N 2.94Å; Y47-L49 VanDerWaalsContact C-N 3.32Å; Y47-L49 PolarHBondContact O-N 3.32Å; L49-W52 PolarHBondContact O-N 3.4Å; L49-A53 WeakPolarHBondContact O-CB 3.35Å; L49-A53 PolarHBondContact O-N 3.39Å; L49-M356 HydrophobicContact CD2-CE 3.93Å; L49-M356 HydrophobicContact CG-CE 4.24Å |
| 50 | A | 97.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K46 Y47 A53 Y54 K65 V66 Q69 | K46-A50 PolarHBondContact O-N 3.13Å; K46-A50 VanDerWaalsContact O-N 3.15Å; Y47-A50 PolarHBondContact O-N 2.96Å; Y47-A50 VanDerWaalsContact O-N 3.14Å; A50-A53 PolarHBondContact O-N 3.12Å; A50-Y54 PolarHBondContact O-N 3.06Å; A50-K65 HydrophobicContact CB-CB 4.49Å; A50-V66 HydrophobicContact CB-CB 4.3Å; A50-Q69 HydrophobicContact CB-CB 4.14Å; A50-Q69 HydrophobicContact CB-CG 3.86Å |
| 51 | S | 93.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 112 | Y47 S48 A53 Y54 N55 W354 | Y47-S51 WeakPolarHBondContact O-CB 3.4Å; Y47-S51 PolarHBondContact O-N 3.35Å; S48-S51 PolarHBondContact O-N 2.91Å; S51-A53 PolarHBondContact O-N 3.4Å; S51-Y54 PolarHBondContact O-N 3.31Å; S51-N55 WeakPolarHBondContact O-CB 3.36Å; S51-N55 PolarHBondContact O-N 3.23Å; S51-N55 PolarHBondContact O-ND2 2.9Å; S51-N55 PolarHBondContact OG-ND2 3.01Å; S51-W354 WeakPolarHBondContact OG-CH2 3.16Å |
| 52 | W | 97.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 174.4 | 178.6 | -88.4 | 0 | 0 | 0 | 111.6 | S48 L49 Y54 N55 T56 N335 M337 W354 M356 R363 I364 K365 | S48-W52 WeakPolarHBondContact O-CB 3.4Å; S48-W52 PolarHBondContact O-N 3.32Å; L49-W52 PolarHBondContact O-N 3.4Å; W52-Y54 VanDerWaalsContact C-N 3.33Å; W52-Y54 PolarHBondContact O-N 3.4Å; W52-N55 PolarHBondContact O-N 2.92Å; W52-T56 HydrophobicContact CD2-CG2 4.15Å; W52-T56 HydrophobicContact CH2-CG2 4.46Å; W52-T56 HydrophobicContact CZ2-CG2 3.84Å; W52-T56 WeakPolarHBondContact O-CB 3.34Å; W52-T56 WeakPolarHBondContact O-CG2 3.4Å; W52-T56 PolarHBondContact O-N 3.44Å; W52-T56 PolarHBondContact O-OG1 3.34Å; W52-N335 WeakPolarHBondContact CZ2-O 3.33Å; W52-M337 HydrophobicContact CZ2-CB 4.23Å; W52-W354 AromaticContact CE3-CD2 3.92Å; W52-W354 HydrophobicContact CE3-CD2 3.92Å; W52-W354 HydrophobicContact CE3-CE3 4.43Å; W52-W354 AromaticContact CE3-CG 3.96Å; W52-W354 HydrophobicContact CE3-CG 3.96Å; W52-W354 HydrophobicContact CZ3-CB 4.43Å; W52-W354 AromaticContact CZ3-CD1 3.63Å; W52-W354 HydrophobicContact CZ3-CD2 4.24Å; W52-W354 AromaticContact CZ3-CG 3.86Å; W52-W354 HydrophobicContact CZ3-CG 3.86Å; W52-W354 AromaticContact CZ3-NE1 3.9Å; W52-M356 HydrophobicContact CB-CE 3.94Å; W52-M356 HydrophobicContact CE3-SD 4.48Å; W52-M356 HydrophobicContact CG-CE 4.39Å; W52-R363 HydrophobicContact CE3-CB 4.21Å; W52-R363 HydrophobicContact CH2-CB 3.54Å; W52-R363 HydrophobicContact CH2-CG 4.38Å; W52-R363 HydrophobicContact CZ2-CB 4.2Å; W52-R363 HydrophobicContact CZ3-CB 3.53Å; W52-R363 HydrophobicContact CZ3-CG 4.41Å; W52-R363 VanDerWaalsContact NE1-NH1 3.11Å; W52-I364 WeakPolarHBondContact CH2-O 3.44Å; W52-K365 HydrophobicContact CH2-CB 3.75Å; W52-K365 HydrophobicContact CZ3-CB 3.75Å |
| 53 | A | 97.4 | Very high | 93.3 | Very high | 33 Ų | 33 | 49 Ų | 49 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L49 A50 S51 T56 D57 N62 | L49-A53 WeakPolarHBondContact O-CB 3.35Å; L49-A53 PolarHBondContact O-N 3.39Å; A50-A53 PolarHBondContact O-N 3.12Å; S51-A53 PolarHBondContact O-N 3.4Å; A53-T56 PolarHBondContact O-N 3.37Å; A53-D57 WeakPolarHBondContact O-CA 3.32Å; A53-D57 PolarHBondContact O-N 2.8Å; A53-N62 PolarHBondContact O-ND2 3.49Å |
| 54 | Y | 91.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 29% | 0.286 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 175 | 175.4 | -101.8 | 0 | 0 | 0 | 112.8 | A50 S51 W52 T56 D57 I58 N62 V66 | A50-Y54 PolarHBondContact O-N 3.06Å; S51-Y54 PolarHBondContact O-N 3.31Å; W52-Y54 VanDerWaalsContact C-N 3.33Å; W52-Y54 PolarHBondContact O-N 3.4Å; Y54-T56 PolarHBondContact O-N 3.04Å; Y54-D57 CarbonylContact O-C 3.5Å; Y54-D57 PolarHBondContact O-N 3.45Å; Y54-I58 HydrophobicContact CE2-CG2 3.91Å; Y54-I58 WeakPolarHBondContact O-CG1 3.31Å; Y54-I58 PolarHBondContact O-N 3.31Å; Y54-N62 HydrophobicContact CD2-CB 4.23Å; Y54-V66 HydrophobicContact CG-CG1 4.37Å |
| 55 | N | 85.4 | Confident | 92.7 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.6 | -23.7 | -177.4 | -82 | -86.2 | 0 | 0 | 0 | 113.3 | S51 W52 V348 K365 | S51-N55 WeakPolarHBondContact O-CB 3.36Å; S51-N55 PolarHBondContact O-N 3.23Å; S51-N55 PolarHBondContact O-ND2 2.9Å; S51-N55 PolarHBondContact OG-ND2 3.01Å; W52-N55 PolarHBondContact O-N 2.92Å; N55-V348 PolarHBondContact O-N 3.29Å; N55-K365 HydrophobicContact CB-CD 3.81Å |
| 56 | T | 93.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -104 | -2.9 | 178.4 | 59 | 0 | 0 | 0 | 0 | 113.8 | W52 A53 Y54 M337 R345 V347 K365 | W52-T56 HydrophobicContact CD2-CG2 4.15Å; W52-T56 HydrophobicContact CH2-CG2 4.46Å; W52-T56 HydrophobicContact CZ2-CG2 3.84Å; W52-T56 WeakPolarHBondContact O-CB 3.34Å; W52-T56 WeakPolarHBondContact O-CG2 3.4Å; W52-T56 PolarHBondContact O-N 3.44Å; W52-T56 PolarHBondContact O-OG1 3.34Å; A53-T56 PolarHBondContact O-N 3.37Å; Y54-T56 PolarHBondContact O-N 3.04Å; T56-M337 HydrophobicContact CG2-CB 4.05Å; T56-M337 HydrophobicContact CG2-SD 3.83Å; T56-R345 WeakPolarHBondContact O-CD 3.45Å; T56-V347 VanDerWaalsContact O-CG1 3.24Å; T56-V347 WeakPolarHBondContact O-CG1 3.42Å; T56-K365 HydrophobicContact CG2-CD 3.98Å; T56-K365 HydrophobicContact CG2-CG 4.09Å |
| 57 | D | 93.7 | Very high | 91.6 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -162.1 | 92.8 | 173.9 | -177.9 | 24.8 | 0 | 0 | 0 | 110.2 | A53 Y54 T59 N62 N346 | A53-D57 WeakPolarHBondContact O-CA 3.32Å; A53-D57 PolarHBondContact O-N 2.8Å; Y54-D57 CarbonylContact O-C 3.5Å; Y54-D57 PolarHBondContact O-N 3.45Å; D57-T59 PolarHBondContact O-N 3.36Å; D57-T59 VanDerWaalsContact O-N 3.11Å; D57-N62 PolarHBondContact O-ND2 3.15Å; D57-N62 PolarHBondContact OD2-ND2 2.87Å; D57-N346 WeakPolarHBondContact CA-O 3.43Å |
| 58 | I | 83.9 | Confident | 91.4 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 30% | 0.303 | 28% | 0.279 | S | S | . | . | trans | -77.1 | 102 | -175.2 | -58.8 | 170.4 | 0 | 0 | 0 | 109.2 | Y54 N346 V348 | Y54-I58 HydrophobicContact CE2-CG2 3.91Å; Y54-I58 WeakPolarHBondContact O-CG1 3.31Å; Y54-I58 PolarHBondContact O-N 3.31Å; I58-N346 HydrophobicContact CB-CB 4.04Å; I58-N346 HydrophobicContact CD1-CB 4.36Å; I58-N346 WeakPolarHBondContact CG1-O 3.4Å; I58-N346 PolarHBondContact N-O 2.81Å; I58-V348 HydrophobicContact CD1-CG2 3.94Å | ||
| 59 | T | 88.5 | Confident | 91.3 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | trans | -137 | 160.3 | 175.5 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | D57 E61 N62 S63 | D57-T59 PolarHBondContact O-N 3.36Å; D57-T59 VanDerWaalsContact O-N 3.11Å; T59-E61 VanDerWaalsContact C-N 3.28Å; T59-E61 PolarHBondContact O-N 3.2Å; T59-N62 PolarHBondContact O-N 2.83Å; T59-N62 WeakPolarHBondContact OG1-CB 3.5Å; T59-N62 PolarHBondContact OG1-N 2.05Å; T59-N62 VanDerWaalsContact OG1-N 3.14Å; T59-N62 PolarHBondContact OG1-ND2 2.89Å; T59-S63 WeakPolarHBondContact O-CB 3.28Å; T59-S63 PolarHBondContact O-N 2.9Å | ||
| 60 | Q | 85.9 | Confident | 90.8 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 61% | 0.607 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.7 | -40.3 | 174 | -172.1 | 61.5 | 50.7 | 0 | 0 | 111.3 | N62 S63 D64 | Q60-N62 PolarHBondContact O-N 2.81Å; Q60-S63 WeakPolarHBondContact O-CB 3.45Å; Q60-S63 PolarHBondContact O-N 2.95Å; Q60-D64 PolarHBondContact NE2-OD1 2.92Å; Q60-D64 PolarHBondContact O-N 3.31Å |
| 61 | E | 95.4 | Very high | 90.3 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.7 | -45.7 | 178.1 | -176.8 | -175 | 160.2 | 0 | 0 | 112 | T59 S63 D64 K65 | T59-E61 VanDerWaalsContact C-N 3.28Å; T59-E61 PolarHBondContact O-N 3.2Å; E61-S63 VanDerWaalsContact C-N 3.33Å; E61-D64 PolarHBondContact O-N 2.98Å; E61-K65 WeakPolarHBondContact O-CG 3.24Å; E61-K65 PolarHBondContact O-N 3.27Å; E61-K65 VanDerWaalsContact OE1-CE 3.3Å; E61-K65 WeakPolarHBondContact OE1-CE 3.23Å; E61-K65 IonicContact OE1-NZ 2.96Å; E61-K65 PolarHBondContact OE1-NZ 2.83Å |
| 62 | N | 90.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.8 | -33.4 | 177.6 | -68.9 | -24.8 | 0 | 0 | 0 | 111.8 | A53 Y54 D57 T59 Q60 K65 V66 | A53-N62 PolarHBondContact O-ND2 3.49Å; Y54-N62 HydrophobicContact CD2-CB 4.23Å; D57-N62 PolarHBondContact O-ND2 3.15Å; D57-N62 PolarHBondContact OD2-ND2 2.87Å; T59-N62 PolarHBondContact O-N 2.83Å; T59-N62 WeakPolarHBondContact OG1-CB 3.5Å; T59-N62 PolarHBondContact OG1-N 2.05Å; T59-N62 VanDerWaalsContact OG1-N 3.14Å; T59-N62 PolarHBondContact OG1-ND2 2.89Å; Q60-N62 PolarHBondContact O-N 2.81Å; N62-K65 PolarHBondContact O-N 2.97Å; N62-V66 WeakPolarHBondContact O-CG1 3.23Å; N62-V66 PolarHBondContact O-N 3.3Å |
| 63 | S | 84.4 | Confident | 90.1 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 172.8 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | T59 Q60 E61 V66 S67 | T59-S63 WeakPolarHBondContact O-CB 3.28Å; T59-S63 PolarHBondContact O-N 2.9Å; Q60-S63 WeakPolarHBondContact O-CB 3.45Å; Q60-S63 PolarHBondContact O-N 2.95Å; E61-S63 VanDerWaalsContact C-N 3.33Å; S63-V66 VanDerWaalsContact O-CG1 3.22Å; S63-V66 WeakPolarHBondContact O-CG1 3.39Å; S63-S67 WeakPolarHBondContact O-CB 3.41Å; S63-S67 PolarHBondContact O-N 2.96Å; S63-S67 VanDerWaalsContact O-N 3.07Å; S63-S67 PolarHBondContact O-OG 3.25Å |
| 64 | D | 86.6 | Confident | 89.7 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 176.8 | -64.5 | -18.9 | 0 | 0 | 0 | 110.8 | Q60 E61 S67 E68 | Q60-D64 PolarHBondContact NE2-OD1 2.92Å; Q60-D64 PolarHBondContact O-N 3.31Å; E61-D64 PolarHBondContact O-N 2.98Å; D64-S67 WeakPolarHBondContact O-CB 3.15Å; D64-S67 PolarHBondContact O-N 3.42Å; D64-E68 WeakPolarHBondContact O-CB 3.36Å; D64-E68 PolarHBondContact O-N 2.79Å |
| 65 | K | 93.8 | Very high | 89.6 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 177 | -74.6 | 174 | -173.4 | 164.2 | 0 | 113.1 | A50 E61 N62 S67 E68 Q69 | A50-K65 HydrophobicContact CB-CB 4.49Å; E61-K65 WeakPolarHBondContact O-CG 3.24Å; E61-K65 PolarHBondContact O-N 3.27Å; E61-K65 VanDerWaalsContact OE1-CE 3.3Å; E61-K65 WeakPolarHBondContact OE1-CE 3.23Å; E61-K65 IonicContact OE1-NZ 2.96Å; E61-K65 PolarHBondContact OE1-NZ 2.83Å; N62-K65 PolarHBondContact O-N 2.97Å; K65-S67 VanDerWaalsContact C-N 3.29Å; K65-S67 PolarHBondContact O-N 3.38Å; K65-E68 PolarHBondContact O-N 3.28Å; K65-Q69 WeakPolarHBondContact O-CG 3.32Å; K65-Q69 PolarHBondContact O-N 3.24Å |
| 66 | V | 88.1 | Confident | 90 | Very high | 21 Ų | 21 | 62 Ų | 62 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.3 | -35.9 | 177.8 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | Y47 A50 Y54 N62 S63 G70 | Y47-V66 HydrophobicContact CD2-CG2 4.43Å; Y47-V66 HydrophobicContact CE2-CG2 3.81Å; A50-V66 HydrophobicContact CB-CB 4.3Å; Y54-V66 HydrophobicContact CG-CG1 4.37Å; N62-V66 WeakPolarHBondContact O-CG1 3.23Å; N62-V66 PolarHBondContact O-N 3.3Å; S63-V66 VanDerWaalsContact O-CG1 3.22Å; S63-V66 WeakPolarHBondContact O-CG1 3.39Å; V66-G70 WeakPolarHBondContact O-CA 3.02Å; V66-G70 PolarHBondContact O-N 3.24Å |
| 67 | S | 82.8 | Confident | 89.9 | Confident | 74 Ų | 74 | 64.2 Ų | 64.2 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | S63 D64 K65 G70 Q71 | S63-S67 WeakPolarHBondContact O-CB 3.41Å; S63-S67 PolarHBondContact O-N 2.96Å; S63-S67 VanDerWaalsContact O-N 3.07Å; S63-S67 PolarHBondContact O-OG 3.25Å; D64-S67 WeakPolarHBondContact O-CB 3.15Å; D64-S67 PolarHBondContact O-N 3.42Å; K65-S67 VanDerWaalsContact C-N 3.29Å; K65-S67 PolarHBondContact O-N 3.38Å; S67-G70 PolarHBondContact O-N 2.72Å; S67-Q71 PolarHBondContact O-N 3.08Å |
| 68 | E | 92.7 | Very high | 89.7 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -52.5 | 176.2 | -177.3 | -174 | -172.7 | 0 | 0 | 111.8 | D64 K65 G70 Q71 I72 | D64-E68 WeakPolarHBondContact O-CB 3.36Å; D64-E68 PolarHBondContact O-N 2.79Å; K65-E68 PolarHBondContact O-N 3.28Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 2.92Å; E68-Q71 PolarHBondContact O-N 2.77Å; E68-I72 HydrophobicContact CG-CD1 4.35Å; E68-I72 WeakPolarHBondContact O-CG1 3.48Å; E68-I72 PolarHBondContact O-N 3.46Å |
| 69 | Q | 96 | Very high | 90.1 | Very high | 42 Ų | 42 | 67.5 Ų | 67.5 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -34.1 | 179.5 | -65.2 | -56.2 | -50.7 | 0 | 0 | 112 | Y47 A50 K65 Q71 I72 W73 | Y47-Q69 HydrophobicContact CD2-CB 4.12Å; A50-Q69 HydrophobicContact CB-CB 4.14Å; A50-Q69 HydrophobicContact CB-CG 3.86Å; K65-Q69 WeakPolarHBondContact O-CG 3.32Å; K65-Q69 PolarHBondContact O-N 3.24Å; Q69-Q71 VanDerWaalsContact C-N 3.35Å; Q69-I72 PolarHBondContact O-N 2.82Å; Q69-W73 WeakPolarHBondContact O-CB 3.46Å; Q69-W73 PolarHBondContact O-N 3.33Å |
| 70 | G | 88.4 | Confident | 90.4 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y47 V66 S67 E68 W73 S74 | Y47-G70 VanDerWaalsContact CD2-CA 3.48Å; V66-G70 WeakPolarHBondContact O-CA 3.02Å; V66-G70 PolarHBondContact O-N 3.24Å; S67-G70 PolarHBondContact O-N 2.72Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 2.92Å; G70-W73 PolarHBondContact O-N 3.46Å; G70-S74 VanDerWaalsContact O-CB 3.3Å; G70-S74 WeakPolarHBondContact O-CB 3.24Å; G70-S74 PolarHBondContact O-N 2.83Å |
| 71 | Q | 87 | Confident | 90.8 | Very high | 121 Ų | 121 | 60 Ų | 60 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 174.4 | -173.8 | 61.3 | 38.4 | 0 | 0 | 112.1 | S67 E68 Q69 S74 T75 | S67-Q71 PolarHBondContact O-N 3.08Å; E68-Q71 PolarHBondContact O-N 2.77Å; Q69-Q71 VanDerWaalsContact C-N 3.35Å; Q71-S74 PolarHBondContact O-N 2.68Å; Q71-T75 PolarHBondContact NE2-OG1 2.83Å; Q71-T75 VanDerWaalsContact O-CB 3.3Å; Q71-T75 WeakPolarHBondContact O-CB 3.46Å; Q71-T75 PolarHBondContact O-N 3.41Å; Q71-T75 PolarHBondContact O-OG1 2.85Å |
| 72 | I | 93.8 | Very high | 90.6 | Very high | 70 Ų | 70 | 58 Ų | 58 | 36% | 0.359 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 175.9 | -67.9 | 167 | 0 | 0 | 0 | 110.4 | E68 Q69 F76 | E68-I72 HydrophobicContact CG-CD1 4.35Å; E68-I72 WeakPolarHBondContact O-CG1 3.48Å; E68-I72 PolarHBondContact O-N 3.46Å; Q69-I72 PolarHBondContact O-N 2.82Å; I72-F76 WeakPolarHBondContact O-CB 3.23Å; I72-F76 PolarHBondContact O-N 2.78Å |
| 73 | W | 92.8 | Very high | 90.8 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -52.4 | 176.1 | 169.5 | -108.8 | 0 | 0 | 0 | 111.4 | A40 K43 M44 Q69 G70 T75 F76 Y77 Y396 | A40-W73 HydrophobicContact CB-CH2 4.1Å; A40-W73 HydrophobicContact CB-CZ3 4Å; K43-W73 HydrophobicContact CB-CE3 3.96Å; K43-W73 HydrophobicContact CB-CZ3 4.39Å; M44-W73 HydrophobicContact CB-CE3 4.37Å; M44-W73 HydrophobicContact CB-CZ3 4.09Å; M44-W73 HydrophobicContact CE-CD2 3.52Å; M44-W73 HydrophobicContact CE-CE3 3.95Å; M44-W73 HydrophobicContact CE-CG 4.07Å; M44-W73 HydrophobicContact CE-CH2 3.86Å; M44-W73 HydrophobicContact CE-CZ2 3.41Å; M44-W73 VanDerWaalsContact CE-CZ2 3.41Å; M44-W73 HydrophobicContact CE-CZ3 4.09Å; Q69-W73 WeakPolarHBondContact O-CB 3.46Å; Q69-W73 PolarHBondContact O-N 3.33Å; G70-W73 PolarHBondContact O-N 3.46Å; W73-T75 VanDerWaalsContact C-N 3.35Å; W73-T75 PolarHBondContact O-N 3.35Å; W73-F76 HydrophobicContact CE3-CD1 4.25Å; W73-F76 HydrophobicContact CZ3-CD1 4.1Å; W73-F76 HydrophobicContact CZ3-CE1 4.2Å; W73-F76 PolarHBondContact O-N 2.81Å; W73-Y77 AromaticContact CH2-CD2 3.91Å; W73-Y77 HydrophobicContact CH2-CD2 3.91Å; W73-Y77 AromaticContact CZ2-CD2 3.52Å; W73-Y77 HydrophobicContact CZ2-CD2 3.52Å; W73-Y77 HydrophobicContact CZ2-CE2 4.16Å; W73-Y77 HydrophobicContact CZ2-CG 4.33Å; W73-Y77 WeakPolarHBondContact O-CB 3.47Å; W73-Y77 PolarHBondContact O-N 2.93Å; W73-Y396 HydrophobicContact CH2-CD1 4.25Å; W73-Y396 AromaticContact CH2-CE1 3.45Å; W73-Y396 HydrophobicContact CH2-CE1 3.45Å; W73-Y396 VanDerWaalsContact CH2-CE1 3.45Å; W73-Y396 AromaticContact CH2-CZ 3.85Å; W73-Y396 AromaticContact CZ2-CE1 3.92Å; W73-Y396 HydrophobicContact CZ2-CE1 3.92Å; W73-Y396 HydrophobicContact CZ3-CE1 4.48Å |
| 74 | S | 88.1 | Confident | 91.3 | Very high | 58 Ų | 58 | 59.1 Ų | 59.1 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | -178.8 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | G70 Q71 Y77 T78 | G70-S74 VanDerWaalsContact O-CB 3.3Å; G70-S74 WeakPolarHBondContact O-CB 3.24Å; G70-S74 PolarHBondContact O-N 2.83Å; Q71-S74 PolarHBondContact O-N 2.68Å; S74-Y77 PolarHBondContact O-N 3.47Å; S74-T78 WeakPolarHBondContact O-CB 3.46Å; S74-T78 PolarHBondContact O-N 2.96Å; S74-T78 PolarHBondContact O-OG1 2.78Å |
| 75 | T | 90.5 | Very high | 91.6 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 179.8 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | Q71 W73 Q79 | Q71-T75 PolarHBondContact NE2-OG1 2.83Å; Q71-T75 VanDerWaalsContact O-CB 3.3Å; Q71-T75 WeakPolarHBondContact O-CB 3.46Å; Q71-T75 PolarHBondContact O-N 3.41Å; Q71-T75 PolarHBondContact O-OG1 2.85Å; W73-T75 VanDerWaalsContact C-N 3.35Å; W73-T75 PolarHBondContact O-N 3.35Å; T75-Q79 WeakPolarHBondContact O-CB 3.36Å; T75-Q79 PolarHBondContact O-N 3.07Å |
| 76 | F | 94.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 175.2 | 165.9 | -101.8 | 0 | 0 | 0 | 111.5 | F36 N39 A40 K43 I72 W73 T78 Q79 M80 | F36-F76 HydrophobicContact CD2-CE1 4.13Å; F36-F76 AromaticContact CD2-CZ 3.95Å; F36-F76 HydrophobicContact CD2-CZ 3.95Å; F36-F76 AromaticContact CE2-CE1 3.89Å; F36-F76 HydrophobicContact CE2-CE1 3.89Å; F36-F76 HydrophobicContact CE2-CZ 4.19Å; N39-F76 HydrophobicContact CB-CE2 3.7Å; N39-F76 HydrophobicContact CB-CZ 3.55Å; A40-F76 HydrophobicContact CB-CE1 3.92Å; A40-F76 HydrophobicContact CB-CZ 4.42Å; K43-F76 HydrophobicContact CD-CB 3.66Å; K43-F76 HydrophobicContact CD-CD1 3.69Å; K43-F76 HydrophobicContact CD-CD2 3.81Å; K43-F76 HydrophobicContact CD-CE1 4.28Å; K43-F76 HydrophobicContact CD-CE2 4.38Å; K43-F76 HydrophobicContact CD-CG 3.42Å; K43-F76 VanDerWaalsContact CD-CG 3.42Å; K43-F76 VanDerWaalsContact CE-CD2 3.44Å; I72-F76 WeakPolarHBondContact O-CB 3.23Å; I72-F76 PolarHBondContact O-N 2.78Å; W73-F76 HydrophobicContact CE3-CD1 4.25Å; W73-F76 HydrophobicContact CZ3-CD1 4.1Å; W73-F76 HydrophobicContact CZ3-CE1 4.2Å; W73-F76 PolarHBondContact O-N 2.81Å; F76-T78 VanDerWaalsContact C-N 3.35Å; F76-T78 PolarHBondContact O-N 3.41Å; F76-Q79 PolarHBondContact O-N 2.8Å; F76-M80 HydrophobicContact CD1-CG 4.46Å; F76-M80 HydrophobicContact CD2-CG 3.88Å; F76-M80 HydrophobicContact CE1-CG 4.1Å; F76-M80 HydrophobicContact CE2-CE 4.42Å; F76-M80 HydrophobicContact CE2-CG 3.46Å; F76-M80 VanDerWaalsContact CE2-CG 3.46Å; F76-M80 HydrophobicContact CE2-SD 3.8Å; F76-M80 HydrophobicContact CG-CG 4.37Å; F76-M80 HydrophobicContact CZ-CG 3.59Å; F76-M80 HydrophobicContact CZ-SD 4.17Å; F76-M80 VanDerWaalsContact O-CG 3.26Å; F76-M80 WeakPolarHBondContact O-CG 3.16Å; F76-M80 PolarHBondContact O-N 2.74Å |
| 77 | Y | 91.8 | Very high | 91.9 | Very high | 59 Ų | 59 | 62 Ų | 62 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | -178.5 | -164.8 | -85.7 | 0 | 0 | 0 | 111.4 | F36 W73 S74 Q79 M80 S81 S103 L104 | F36-Y77 HydrophobicContact CE2-CD2 4.28Å; F36-Y77 HydrophobicContact CE2-CE2 4.42Å; F36-Y77 HydrophobicContact CZ-CD2 4.2Å; F36-Y77 HydrophobicContact CZ-CE2 4.01Å; W73-Y77 AromaticContact CH2-CD2 3.91Å; W73-Y77 HydrophobicContact CH2-CD2 3.91Å; W73-Y77 AromaticContact CZ2-CD2 3.52Å; W73-Y77 HydrophobicContact CZ2-CD2 3.52Å; W73-Y77 HydrophobicContact CZ2-CE2 4.16Å; W73-Y77 HydrophobicContact CZ2-CG 4.33Å; W73-Y77 WeakPolarHBondContact O-CB 3.47Å; W73-Y77 PolarHBondContact O-N 2.93Å; S74-Y77 PolarHBondContact O-N 3.47Å; Y77-Q79 PolarHBondContact O-N 3.26Å; Y77-M80 PolarHBondContact O-N 2.83Å; Y77-S81 VanDerWaalsContact O-CB 3.27Å; Y77-S81 WeakPolarHBondContact O-CB 3.42Å; Y77-S81 PolarHBondContact O-N 2.87Å; Y77-S103 PolarHBondContact OH-O 3.03Å; Y77-L104 HydrophobicContact CD2-CD1 4.32Å; Y77-L104 HydrophobicContact CE1-CD1 4.04Å; Y77-L104 HydrophobicContact CE2-CD1 3.85Å |
| 78 | T | 89.4 | Confident | 92.5 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | S74 F76 S81 E82 | S74-T78 WeakPolarHBondContact O-CB 3.46Å; S74-T78 PolarHBondContact O-N 2.96Å; S74-T78 PolarHBondContact O-OG1 2.78Å; F76-T78 VanDerWaalsContact C-N 3.35Å; F76-T78 PolarHBondContact O-N 3.41Å; T78-S81 WeakPolarHBondContact O-CB 3.19Å; T78-S81 PolarHBondContact O-N 2.9Å; T78-E82 PolarHBondContact O-N 3.29Å |
| 79 | Q | 92.6 | Very high | 92.5 | Very high | 104 Ų | 104 | 57 Ų | 57 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 176.5 | -177.4 | -175.1 | -15 | 0 | 0 | 111.2 | T75 F76 Y77 S81 E82 E83 | T75-Q79 WeakPolarHBondContact O-CB 3.36Å; T75-Q79 PolarHBondContact O-N 3.07Å; F76-Q79 PolarHBondContact O-N 2.8Å; Y77-Q79 PolarHBondContact O-N 3.26Å; Q79-S81 VanDerWaalsContact C-N 3.34Å; Q79-S81 PolarHBondContact O-N 3.17Å; Q79-E82 PolarHBondContact O-N 2.82Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.45Å; Q79-E83 PolarHBondContact NE2-OE1 3.28Å; Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 3.43Å |
| 80 | M | 94.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 61.2 Ų | 61.2 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 179.1 | -63.3 | -67.8 | 100.3 | 0 | 0 | 111.8 | F32 F36 F76 Y77 E82 E83 S84 L104 | F32-M80 HydrophobicContact CE2-SD 4.12Å; F32-M80 HydrophobicContact CZ-CB 4.44Å; F32-M80 WeakPolarHBondContact CZ-O 3.26Å; F32-M80 HydrophobicContact CZ-SD 4.44Å; F36-M80 HydrophobicContact CD2-CB 3.67Å; F36-M80 HydrophobicContact CD2-CG 3.7Å; F36-M80 HydrophobicContact CD2-SD 4.31Å; F36-M80 HydrophobicContact CE2-CB 3.93Å; F36-M80 HydrophobicContact CE2-CG 4.16Å; F76-M80 HydrophobicContact CD1-CG 4.46Å; F76-M80 HydrophobicContact CD2-CG 3.88Å; F76-M80 HydrophobicContact CE1-CG 4.1Å; F76-M80 HydrophobicContact CE2-CE 4.42Å; F76-M80 HydrophobicContact CE2-CG 3.46Å; F76-M80 VanDerWaalsContact CE2-CG 3.46Å; F76-M80 HydrophobicContact CE2-SD 3.8Å; F76-M80 HydrophobicContact CG-CG 4.37Å; F76-M80 HydrophobicContact CZ-CG 3.59Å; F76-M80 HydrophobicContact CZ-SD 4.17Å; F76-M80 VanDerWaalsContact O-CG 3.26Å; F76-M80 WeakPolarHBondContact O-CG 3.16Å; F76-M80 PolarHBondContact O-N 2.74Å; Y77-M80 PolarHBondContact O-N 2.83Å; M80-E82 PolarHBondContact O-N 3.28Å; M80-E83 WeakPolarHBondContact CE-OE1 3.39Å; M80-E83 WeakPolarHBondContact CE-OE2 3.22Å; M80-E83 PolarHBondContact O-N 3.44Å; M80-S84 VanDerWaalsContact O-CB 3.26Å; M80-S84 WeakPolarHBondContact O-CB 3.33Å; M80-S84 PolarHBondContact O-N 2.96Å; M80-L104 HydrophobicContact CB-CD1 4.27Å; M80-L104 HydrophobicContact CB-CD2 4.43Å |
| 81 | S | 92.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58 | -46.4 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | Y77 T78 Q79 S84 L104 | Y77-S81 VanDerWaalsContact O-CB 3.27Å; Y77-S81 WeakPolarHBondContact O-CB 3.42Å; Y77-S81 PolarHBondContact O-N 2.87Å; T78-S81 WeakPolarHBondContact O-CB 3.19Å; T78-S81 PolarHBondContact O-N 2.9Å; Q79-S81 VanDerWaalsContact C-N 3.34Å; Q79-S81 PolarHBondContact O-N 3.17Å; S81-S84 PolarHBondContact O-N 2.85Å; S81-S84 PolarHBondContact O-OG 3.41Å; S81-L104 WeakPolarHBondContact CA-O 3.5Å; S81-L104 WeakPolarHBondContact CB-O 3.49Å; S81-L104 PolarHBondContact OG-O 3.32Å |
| 82 | E | 91.8 | Very high | 92.9 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 177.4 | -71.5 | -65.3 | 158.2 | 0 | 0 | 112.5 | T78 Q79 M80 S84 R85 K107 | T78-E82 PolarHBondContact O-N 3.29Å; Q79-E82 PolarHBondContact O-N 2.82Å; M80-E82 PolarHBondContact O-N 3.28Å; E82-S84 VanDerWaalsContact C-N 3.31Å; E82-S84 PolarHBondContact O-N 3.43Å; E82-R85 VanDerWaalsContact O-CB 3.3Å; E82-R85 WeakPolarHBondContact O-CB 3.48Å; E82-R85 WeakPolarHBondContact O-CG 3.49Å; E82-R85 PolarHBondContact O-N 3.1Å; E82-R85 IonicContact OE1-CZ 2.68Å; E82-R85 IonicContact OE1-NE 3.68Å; E82-R85 IonicContact OE1-NH1 3.94Å; E82-R85 PolarHBondContact OE1-NH1 3.32Å; E82-R85 VanDerWaalsContact OE2-CD 3.28Å; E82-R85 WeakPolarHBondContact OE2-CD 3.49Å; E82-R85 IonicContact OE2-CZ 2.98Å; E82-R85 VanDerWaalsContact OE2-CZ 3.32Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 PolarHBondContact OE2-NE 2.91Å; E82-R85 IonicContact OE2-NH1 2.74Å; E82-R85 PolarHBondContact OE2-NH1 2.97Å; E82-K107 WeakPolarHBondContact OE1-CE 3.33Å; E82-K107 IonicContact OE1-NZ 2.71Å; E82-K107 PolarHBondContact OE1-NZ 2.8Å |
| 83 | E | 94.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 175.8 | -74.2 | 179.4 | -152.2 | 0 | 0 | 112.6 | F32 Q79 M80 R85 N86 | F32-E83 HydrophobicContact CE2-CB 3.91Å; F32-E83 HydrophobicContact CZ-CB 4.34Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.45Å; Q79-E83 PolarHBondContact NE2-OE1 3.28Å; Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 3.43Å; M80-E83 WeakPolarHBondContact CE-OE1 3.39Å; M80-E83 WeakPolarHBondContact CE-OE2 3.22Å; M80-E83 PolarHBondContact O-N 3.44Å; E83-R85 PolarHBondContact O-N 3.28Å; E83-N86 WeakPolarHBondContact O-CB 3.07Å; E83-N86 PolarHBondContact O-N 3.06Å; E83-N86 VanDerWaalsContact O-N 3.11Å; E83-N86 PolarHBondContact O-ND2 3.22Å; E83-N86 VanDerWaalsContact O-ND2 3.15Å |
| 84 | S | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -62.2 | -16.4 | -179.6 | 76.1 | 0 | 0 | 0 | 0 | 113.5 | M80 S81 E82 N86 Y87 Q105 | M80-S84 VanDerWaalsContact O-CB 3.26Å; M80-S84 WeakPolarHBondContact O-CB 3.33Å; M80-S84 PolarHBondContact O-N 2.96Å; S81-S84 PolarHBondContact O-N 2.85Å; S81-S84 PolarHBondContact O-OG 3.41Å; E82-S84 VanDerWaalsContact C-N 3.31Å; E82-S84 PolarHBondContact O-N 3.43Å; S84-N86 PolarHBondContact O-N 3.39Å; S84-Y87 WeakPolarHBondContact O-CD2 3.48Å; S84-Y87 PolarHBondContact O-N 3.28Å; S84-Q105 PolarHBondContact O-NE2 3.46Å; S84-Q105 WeakPolarHBondContact OG-CG 3.36Å |
| 85 | R | 91.9 | Very high | 93 | Very high | 111 Ų | 111 | 61.6 Ų | 61.6 | 42% | 0.419 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -71.5 | -16.7 | 177.4 | -63.4 | 170.2 | 167.8 | -147 | -41.4 | 113.9 | E82 E83 Y87 | E82-R85 VanDerWaalsContact O-CB 3.3Å; E82-R85 WeakPolarHBondContact O-CB 3.48Å; E82-R85 WeakPolarHBondContact O-CG 3.49Å; E82-R85 PolarHBondContact O-N 3.1Å; E82-R85 IonicContact OE1-CZ 2.68Å; E82-R85 IonicContact OE1-NE 3.68Å; E82-R85 IonicContact OE1-NH1 3.94Å; E82-R85 PolarHBondContact OE1-NH1 3.32Å; E82-R85 VanDerWaalsContact OE2-CD 3.28Å; E82-R85 WeakPolarHBondContact OE2-CD 3.49Å; E82-R85 IonicContact OE2-CZ 2.98Å; E82-R85 VanDerWaalsContact OE2-CZ 3.32Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 PolarHBondContact OE2-NE 2.91Å; E82-R85 IonicContact OE2-NH1 2.74Å; E82-R85 PolarHBondContact OE2-NH1 2.97Å; E83-R85 PolarHBondContact O-N 3.28Å; R85-Y87 PolarHBondContact O-N 2.86Å |
| 86 | N | 94.3 | Very high | 93.1 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 65% | 0.647 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -66.4 | -8.9 | 171.2 | -64.3 | -38.6 | 0 | 0 | 0 | 112 | E83 S84 P88 | E83-N86 WeakPolarHBondContact O-CB 3.07Å; E83-N86 PolarHBondContact O-N 3.06Å; E83-N86 VanDerWaalsContact O-N 3.11Å; E83-N86 PolarHBondContact O-ND2 3.22Å; E83-N86 VanDerWaalsContact O-ND2 3.15Å; S84-N86 PolarHBondContact O-N 3.39Å; N86-P88 WeakPolarHBondContact O-CD 3.47Å |
| 87 | Y | 95.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -112.3 | 93.8 | 177.2 | -48.8 | -67.1 | 0 | 0 | 0 | 110.1 | V25 E28 A29 F32 S84 R85 I89 L101 Q105 | V25-Y87 HydrophobicContact CG1-CD1 4.3Å; E28-Y87 HydrophobicContact CB-CE1 3.73Å; A29-Y87 HydrophobicContact CB-CD1 3.73Å; A29-Y87 HydrophobicContact CB-CD2 4.39Å; A29-Y87 HydrophobicContact CB-CE1 4.28Å; A29-Y87 HydrophobicContact CB-CG 3.8Å; F32-Y87 HydrophobicContact CB-CE2 3.67Å; F32-Y87 HydrophobicContact CD1-CD2 4.1Å; F32-Y87 AromaticContact CD1-CE2 3.67Å; F32-Y87 HydrophobicContact CD1-CE2 3.67Å; F32-Y87 AromaticContact CD2-CE2 3.99Å; F32-Y87 HydrophobicContact CD2-CE2 3.99Å; F32-Y87 HydrophobicContact CE1-CE2 4.32Å; F32-Y87 HydrophobicContact CG-CD2 4.35Å; F32-Y87 AromaticContact CG-CE2 3.48Å; F32-Y87 HydrophobicContact CG-CE2 3.48Å; F32-Y87 VanDerWaalsContact CG-CE2 3.48Å; S84-Y87 WeakPolarHBondContact O-CD2 3.48Å; S84-Y87 PolarHBondContact O-N 3.28Å; R85-Y87 PolarHBondContact O-N 2.86Å; Y87-I89 PolarHBondContact O-N 3.06Å; Y87-L101 HydrophobicContact CD2-CD2 4.17Å; Y87-Q105 PolarHBondContact O-NE2 2.65Å |
| 88 | P | 93.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 29% | 0.292 | 31% | 0.307 | S | S | . | . | trans | -63.3 | 125.5 | 179.2 | -22.9 | 35.1 | 0 | 0 | 0 | 111.7 | N86 D90 Q91 | N86-P88 WeakPolarHBondContact O-CD 3.47Å; P88-D90 WeakPolarHBondContact CB-OD1 3.46Å; P88-D90 PolarHBondContact O-N 3.29Å; P88-Q91 HydrophobicContact CB-CG 4.22Å; P88-Q91 PolarHBondContact O-N 2.88Å | ||
| 89 | I | 92.8 | Very high | 93.6 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 21% | 0.205 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -58.6 | -32.9 | -175.1 | -60.8 | -55 | 0 | 0 | 0 | 112.7 | Y87 Q91 I92 K98 L101 I102 | Y87-I89 PolarHBondContact O-N 3.06Å; I89-Q91 PolarHBondContact O-N 2.9Å; I89-I92 PolarHBondContact O-N 3Å; I89-K98 HydrophobicContact CG2-CD 4.27Å; I89-K98 HydrophobicContact CG2-CG 3.98Å; I89-K98 WeakPolarHBondContact O-CE 3.26Å; I89-L101 HydrophobicContact CD1-CB 3.42Å; I89-L101 VanDerWaalsContact CD1-CB 3.42Å; I89-L101 HydrophobicContact CD1-CD1 4.26Å; I89-I102 HydrophobicContact CD1-CG1 3.96Å; I89-I102 HydrophobicContact CG1-CG1 4.16Å; I89-I102 HydrophobicContact CG2-CD1 3.93Å; I89-I102 HydrophobicContact CG2-CG1 3.86Å |
| 90 | D | 91.7 | Very high | 93.8 | Very high | 132 Ų | 132 | 52.6 Ų | 52.6 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -69 | -18 | 178.9 | 64 | -39.5 | 0 | 0 | 0 | 113.7 | P88 | P88-D90 WeakPolarHBondContact CB-OD1 3.46Å; P88-D90 PolarHBondContact O-N 3.29Å |
| 91 | Q | 93.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -96.3 | -5.9 | 178.8 | -62.2 | 179.3 | 27.8 | 0 | 0 | 113.6 | T22 P88 I89 | T22-Q91 HydrophobicContact CG2-CB 4.46Å; P88-Q91 HydrophobicContact CB-CG 4.22Å; P88-Q91 PolarHBondContact O-N 2.88Å; I89-Q91 PolarHBondContact O-N 2.9Å |
| 92 | I | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -91.9 | 127.2 | 178.6 | -54.3 | -59.5 | 0 | 0 | 0 | 109.3 | V25 E26 A29 I89 I97 K98 L101 | V25-I92 HydrophobicContact CG1-CD1 4.2Å; E26-I92 HydrophobicContact CB-CD1 4.4Å; A29-I92 HydrophobicContact CB-CD1 4.03Å; I89-I92 PolarHBondContact O-N 3Å; I92-I97 HydrophobicContact CG2-CB 3.95Å; I92-I97 HydrophobicContact CG2-CG2 3.64Å; I92-K98 HydrophobicContact CB-CB 4.44Å; I92-K98 HydrophobicContact CG2-CB 3.93Å; I92-K98 WeakPolarHBondContact O-CE 3.3Å; I92-K98 PolarHBondContact O-NZ 3.04Å; I92-L101 HydrophobicContact CD1-CD1 4.11Å; I92-L101 HydrophobicContact CG1-CD1 3.79Å | ||
| 93 | N | 92.1 | Very high | 93.9 | Very high | 115 Ų | 115 | 50.3 Ų | 50.3 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | trans | -99.7 | -36.8 | 178.5 | -65.2 | -53.6 | 0 | 0 | 0 | 112 | E26 P95 | E26-N93 WeakPolarHBondContact OE2-CA 3.18Å; E26-N93 PolarHBondContact OE2-N 3.46Å; N93-P95 WeakPolarHBondContact O-CD 3.42Å | ||
| 94 | D | 93.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 20% | 0.198 | 25% | 0.246 | C | C | . | . | trans | -61.5 | 117.1 | 176 | -177.1 | -47.2 | 0 | 0 | 0 | 110.5 | E26 R30 V96 I97 K98 | E26-D94 PolarHBondContact OE2-N 2.72Å; R30-D94 IonicContact CZ-OD2 3.82Å; R30-D94 IonicContact NH1-OD2 2.72Å; R30-D94 IonicContact NH2-OD2 3.63Å; R30-D94 PolarHBondContact NH2-OD2 3.15Å; D94-V96 VanDerWaalsContact C-N 3.29Å; D94-V96 PolarHBondContact O-N 2.95Å; D94-V96 WeakPolarHBondContact OD1-CA 3.3Å; D94-V96 WeakPolarHBondContact OD1-CB 3.46Å; D94-V96 PolarHBondContact OD1-N 3.29Å; D94-I97 HydrophobicContact CB-CB 4.09Å; D94-I97 HydrophobicContact CB-CD1 4.06Å; D94-I97 HydrophobicContact CB-CG1 4.09Å; D94-I97 PolarHBondContact O-N 2.96Å; D94-I97 PolarHBondContact OD1-N 3.43Å; D94-K98 VanDerWaalsContact O-CB 3.27Å; D94-K98 WeakPolarHBondContact O-CB 3.47Å; D94-K98 PolarHBondContact O-N 3.21Å | ||
| 95 | P | 92.1 | Very high | 93.7 | Very high | 94 Ų | 94 | 49 Ų | 49 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.4 | -30.5 | -174.7 | 26 | -33.7 | 0 | 0 | 0 | 112.9 | N93 K98 L99 | N93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-K98 PolarHBondContact O-N 2.8Å; P95-L99 WeakPolarHBondContact O-CB 3.35Å; P95-L99 PolarHBondContact O-N 2.8Å |
| 96 | V | 93.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -76.1 | -39.9 | -178.6 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | D94 Q100 L398 | D94-V96 VanDerWaalsContact C-N 3.29Å; D94-V96 PolarHBondContact O-N 2.95Å; D94-V96 WeakPolarHBondContact OD1-CA 3.3Å; D94-V96 WeakPolarHBondContact OD1-CB 3.46Å; D94-V96 PolarHBondContact OD1-N 3.29Å; V96-Q100 WeakPolarHBondContact O-CG 3.36Å; V96-Q100 PolarHBondContact O-N 3.25Å; V96-Q100 PolarHBondContact O-NE2 2.67Å; V96-L398 HydrophobicContact CG1-CD1 3.55Å |
| 97 | I | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 170.4 | -67.9 | -177.6 | 0 | 0 | 0 | 109.9 | E26 A29 R30 L33 I92 D94 L99 Q100 L101 | E26-I97 HydrophobicContact CG-CD1 3.97Å; A29-I97 HydrophobicContact CB-CG2 4.11Å; R30-I97 HydrophobicContact CB-CD1 3.77Å; R30-I97 HydrophobicContact CG-CD1 4.14Å; R30-I97 VanDerWaalsContact NH2-CD1 3.29Å; L33-I97 HydrophobicContact CD1-CB 4.29Å; L33-I97 HydrophobicContact CD1-CG1 4.36Å; L33-I97 HydrophobicContact CD1-CG2 3.83Å; I92-I97 HydrophobicContact CG2-CB 3.95Å; I92-I97 HydrophobicContact CG2-CG2 3.64Å; D94-I97 HydrophobicContact CB-CB 4.09Å; D94-I97 HydrophobicContact CB-CD1 4.06Å; D94-I97 HydrophobicContact CB-CG1 4.09Å; D94-I97 PolarHBondContact O-N 2.96Å; D94-I97 PolarHBondContact OD1-N 3.43Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 3.42Å; I97-Q100 PolarHBondContact O-N 3.32Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.32Å; I97-L101 WeakPolarHBondContact O-CG 3.42Å; I97-L101 PolarHBondContact O-N 2.97Å |
| 98 | K | 95.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 24% | 0.243 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.9 | -48 | 180 | 178.4 | 170.9 | -73.2 | 170 | 0 | 111.6 | I89 I92 D94 P95 Q100 L101 I102 | I89-K98 HydrophobicContact CG2-CD 4.27Å; I89-K98 HydrophobicContact CG2-CG 3.98Å; I89-K98 WeakPolarHBondContact O-CE 3.26Å; I92-K98 HydrophobicContact CB-CB 4.44Å; I92-K98 HydrophobicContact CG2-CB 3.93Å; I92-K98 WeakPolarHBondContact O-CE 3.3Å; I92-K98 PolarHBondContact O-NZ 3.04Å; D94-K98 VanDerWaalsContact O-CB 3.27Å; D94-K98 WeakPolarHBondContact O-CB 3.47Å; D94-K98 PolarHBondContact O-N 3.21Å; P95-K98 PolarHBondContact O-N 2.8Å; K98-Q100 PolarHBondContact O-N 3.12Å; K98-L101 PolarHBondContact O-N 3.12Å; K98-I102 HydrophobicContact CD-CD1 4.49Å; K98-I102 HydrophobicContact CG-CD1 3.75Å; K98-I102 HydrophobicContact CG-CG1 4.49Å; K98-I102 WeakPolarHBondContact O-CB 3.22Å; K98-I102 VanDerWaalsContact O-CG1 3.27Å; K98-I102 WeakPolarHBondContact O-CG1 3.43Å; K98-I102 PolarHBondContact O-N 3.16Å |
| 99 | L | 94.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 179 | -178.8 | 61.2 | 0 | 0 | 0 | 112.7 | P95 I97 I102 S103 L214 L398 R568 | P95-L99 WeakPolarHBondContact O-CB 3.35Å; P95-L99 PolarHBondContact O-N 2.8Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 3.42Å; L99-I102 PolarHBondContact O-N 3.46Å; L99-S103 WeakPolarHBondContact O-CB 3.47Å; L99-S103 PolarHBondContact O-N 3.45Å; L99-S103 PolarHBondContact O-OG 2.95Å; L99-L214 HydrophobicContact CB-CD1 4.3Å; L99-L214 HydrophobicContact CD1-CD1 3.9Å; L99-L398 HydrophobicContact CD2-CD2 3.88Å; L99-L398 HydrophobicContact CG-CD2 4.16Å; L99-R568 WeakPolarHBondContact CD2-O 3.4Å |
| 100 | Q | 96 | Very high | 91.1 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.1 | -74.1 | 172.7 | 94.4 | 0 | 0 | 111.9 | L33 V96 I97 K98 S103 L104 S395 I397 L398 | L33-Q100 HydrophobicContact CD1-CB 3.77Å; L33-Q100 HydrophobicContact CD2-CB 3.94Å; V96-Q100 WeakPolarHBondContact O-CG 3.36Å; V96-Q100 PolarHBondContact O-N 3.25Å; V96-Q100 PolarHBondContact O-NE2 2.67Å; I97-Q100 PolarHBondContact O-N 3.32Å; K98-Q100 PolarHBondContact O-N 3.12Å; Q100-S103 PolarHBondContact O-N 3.36Å; Q100-L104 WeakPolarHBondContact O-CB 3.46Å; Q100-L104 PolarHBondContact O-N 3.28Å; Q100-S395 PolarHBondContact OE1-OG 3.38Å; Q100-S395 VanDerWaalsContact OE1-OG 3.05Å; Q100-I397 HydrophobicContact CB-CG2 4.37Å; Q100-I397 HydrophobicContact CG-CB 4.44Å; Q100-I397 HydrophobicContact CG-CG2 4.14Å; Q100-L398 HydrophobicContact CG-CD1 3.88Å; Q100-L398 HydrophobicContact CG-CD2 3.84Å; Q100-L398 HydrophobicContact CG-CG 3.75Å |
| 101 | L | 96.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 177.2 | -70.8 | 171.3 | 0 | 0 | 0 | 111.9 | A29 F32 L33 Y87 I89 I92 I97 K98 S103 L104 Q105 | A29-L101 HydrophobicContact CB-CD1 4.15Å; F32-L101 HydrophobicContact CD1-CD2 4.43Å; F32-L101 HydrophobicContact CE1-CD2 4.41Å; L33-L101 HydrophobicContact CD1-CG 4.31Å; L33-L101 HydrophobicContact CD2-CD2 4.18Å; L33-L101 HydrophobicContact CG-CD2 4.4Å; Y87-L101 HydrophobicContact CD2-CD2 4.17Å; I89-L101 HydrophobicContact CD1-CB 3.42Å; I89-L101 VanDerWaalsContact CD1-CB 3.42Å; I89-L101 HydrophobicContact CD1-CD1 4.26Å; I92-L101 HydrophobicContact CD1-CD1 4.11Å; I92-L101 HydrophobicContact CG1-CD1 3.79Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.32Å; I97-L101 WeakPolarHBondContact O-CG 3.42Å; I97-L101 PolarHBondContact O-N 2.97Å; K98-L101 PolarHBondContact O-N 3.12Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 2.98Å; L101-L104 PolarHBondContact O-N 3.3Å; L101-Q105 VanDerWaalsContact O-CB 3.26Å; L101-Q105 WeakPolarHBondContact O-CB 3.45Å; L101-Q105 WeakPolarHBondContact O-CG 3.45Å; L101-Q105 PolarHBondContact O-N 3.31Å |
| 102 | I | 93.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 36 Ų | 36 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 175.3 | -74.2 | 167.6 | 0 | 0 | 0 | 110.6 | I89 K98 L99 Q105 D106 Y209 L214 | I89-I102 HydrophobicContact CD1-CG1 3.96Å; I89-I102 HydrophobicContact CG1-CG1 4.16Å; I89-I102 HydrophobicContact CG2-CD1 3.93Å; I89-I102 HydrophobicContact CG2-CG1 3.86Å; K98-I102 HydrophobicContact CD-CD1 4.49Å; K98-I102 HydrophobicContact CG-CD1 3.75Å; K98-I102 HydrophobicContact CG-CG1 4.49Å; K98-I102 WeakPolarHBondContact O-CB 3.22Å; K98-I102 VanDerWaalsContact O-CG1 3.27Å; K98-I102 WeakPolarHBondContact O-CG1 3.43Å; K98-I102 PolarHBondContact O-N 3.16Å; L99-I102 PolarHBondContact O-N 3.46Å; I102-Q105 PolarHBondContact O-N 3.35Å; I102-D106 PolarHBondContact O-N 2.92Å; I102-Y209 WeakPolarHBondContact CG2-OH 3.32Å; I102-L214 HydrophobicContact CD1-CD1 3.59Å; I102-L214 HydrophobicContact CD1-CD2 3.95Å; I102-L214 HydrophobicContact CD1-CG 4.44Å |
| 103 | S | 92.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -37.1 | 179.5 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | Y77 L99 Q100 L101 | Y77-S103 PolarHBondContact OH-O 3.03Å; L99-S103 WeakPolarHBondContact O-CB 3.47Å; L99-S103 PolarHBondContact O-N 3.45Å; L99-S103 PolarHBondContact O-OG 2.95Å; Q100-S103 PolarHBondContact O-N 3.36Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 2.98Å |
| 104 | L | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.4 | -31 | 178.6 | -171.8 | 55.3 | 0 | 0 | 0 | 112.5 | F32 L33 F36 Y77 M80 S81 Q100 L101 D106 I397 | F32-L104 HydrophobicContact CE1-CD2 3.65Å; F32-L104 HydrophobicContact CZ-CD2 3.91Å; L33-L104 HydrophobicContact CD2-CD2 4.41Å; F36-L104 HydrophobicContact CD2-CD1 4.33Å; F36-L104 HydrophobicContact CD2-CD2 4.12Å; F36-L104 HydrophobicContact CE2-CD1 3.7Å; F36-L104 HydrophobicContact CE2-CD2 4.28Å; F36-L104 HydrophobicContact CG-CD2 4.32Å; F36-L104 HydrophobicContact CZ-CD1 3.95Å; Y77-L104 HydrophobicContact CD2-CD1 4.32Å; Y77-L104 HydrophobicContact CE1-CD1 4.04Å; Y77-L104 HydrophobicContact CE2-CD1 3.85Å; M80-L104 HydrophobicContact CB-CD1 4.27Å; M80-L104 HydrophobicContact CB-CD2 4.43Å; S81-L104 WeakPolarHBondContact CA-O 3.5Å; S81-L104 WeakPolarHBondContact CB-O 3.49Å; S81-L104 PolarHBondContact OG-O 3.32Å; Q100-L104 WeakPolarHBondContact O-CB 3.46Å; Q100-L104 PolarHBondContact O-N 3.28Å; L101-L104 PolarHBondContact O-N 3.3Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-I397 HydrophobicContact CB-CD1 3.9Å; L104-I397 HydrophobicContact CD1-CD1 4.24Å; L104-I397 HydrophobicContact CD2-CD1 4.45Å; L104-I397 HydrophobicContact CG-CD1 4.42Å |
| 105 | Q | 92.7 | Very high | 90.4 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.4 | -10.9 | 179.1 | -71.2 | 177.1 | 20.7 | 0 | 0 | 113.6 | S84 Y87 L101 I102 K107 | S84-Q105 PolarHBondContact O-NE2 3.46Å; S84-Q105 WeakPolarHBondContact OG-CG 3.36Å; Y87-Q105 PolarHBondContact O-NE2 2.65Å; L101-Q105 VanDerWaalsContact O-CB 3.26Å; L101-Q105 WeakPolarHBondContact O-CB 3.45Å; L101-Q105 WeakPolarHBondContact O-CG 3.45Å; L101-Q105 PolarHBondContact O-N 3.31Å; I102-Q105 PolarHBondContact O-N 3.35Å; Q105-K107 PolarHBondContact O-N 3.43Å |
| 106 | D | 87.4 | Confident | 90.5 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -69.1 | 121.9 | 171.6 | -178.5 | 14.2 | 0 | 0 | 0 | 110.7 | I102 L104 G108 Y206 | I102-D106 PolarHBondContact O-N 2.92Å; L104-D106 VanDerWaalsContact C-N 3.33Å; D106-G108 PolarHBondContact OD1-N 3.26Å; D106-Y206 VanDerWaalsContact OD2-CE2 3.3Å; D106-Y206 WeakPolarHBondContact OD2-CE2 3.45Å; D106-Y206 PolarHBondContact OD2-OH 2.96Å | ||
| 107 | K | 81.1 | Confident | 90.2 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | trans | -86.5 | -17.7 | 179.2 | -58.1 | -163.9 | -176.2 | -155.3 | 0 | 113.3 | E82 Q105 A109 G110 A111 N198 | E82-K107 WeakPolarHBondContact OE1-CE 3.33Å; E82-K107 IonicContact OE1-NZ 2.71Å; E82-K107 PolarHBondContact OE1-NZ 2.8Å; Q105-K107 PolarHBondContact O-N 3.43Å; K107-A109 PolarHBondContact O-N 3.02Å; K107-G110 WeakPolarHBondContact O-CA 3.43Å; K107-G110 PolarHBondContact O-N 3.1Å; K107-A111 HydrophobicContact CB-CB 4.03Å; K107-A111 HydrophobicContact CD-CB 4.26Å; K107-N198 WeakPolarHBondContact CB-OD1 3.5Å; K107-N198 PolarHBondContact N-OD1 2.93Å | ||
| 108 | G | 84.8 | Confident | 89.6 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | 46.1 | -127.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D106 G110 A111 N198 | D106-G108 PolarHBondContact OD1-N 3.26Å; G108-G110 PolarHBondContact O-N 3.37Å; G108-A111 PolarHBondContact O-N 3.43Å; G108-N198 PolarHBondContact O-ND2 2.86Å |
| 109 | A | 79.3 | Confident | 89.6 | Confident | 41 Ų | 41 | 42 Ų | 42 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -67.3 | -18.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K107 A111 L112 L120 | K107-A109 PolarHBondContact O-N 3.02Å; A109-A111 PolarHBondContact O-N 3.1Å; A109-L112 WeakPolarHBondContact O-CB 3.32Å; A109-L112 PolarHBondContact O-N 3.42Å; A109-L120 HydrophobicContact CB-CD2 4Å |
| 110 | G | 82.1 | Confident | 89.6 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -68.9 | -6.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K107 G108 L112 | K107-G110 WeakPolarHBondContact O-CA 3.43Å; K107-G110 PolarHBondContact O-N 3.1Å; G108-G110 PolarHBondContact O-N 3.37Å; G110-L112 VanDerWaalsContact C-N 3.27Å |
| 111 | A | 87.9 | Confident | 89.1 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -71.4 | -20.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K107 G108 A109 L197 N198 | K107-A111 HydrophobicContact CB-CB 4.03Å; K107-A111 HydrophobicContact CD-CB 4.26Å; G108-A111 PolarHBondContact O-N 3.43Å; A109-A111 PolarHBondContact O-N 3.1Å; A111-L197 HydrophobicContact CB-CB 3.77Å; A111-L197 HydrophobicContact CB-CD1 4.39Å; A111-L197 WeakPolarHBondContact O-CD1 3.44Å; A111-N198 WeakPolarHBondContact CB-ND2 3.18Å |
| 112 | L | 90 | Very high | 88.8 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -68.7 | 157 | 179.6 | -68 | 172.3 | 0 | 0 | 0 | 112.2 | A109 G110 K116 A117 L120 E193 A194 L197 | A109-L112 WeakPolarHBondContact O-CB 3.32Å; A109-L112 PolarHBondContact O-N 3.42Å; G110-L112 VanDerWaalsContact C-N 3.27Å; L112-K116 HydrophobicContact CB-CB 4.13Å; L112-K116 HydrophobicContact CD1-CB 4.49Å; L112-K116 HydrophobicContact CD2-CB 4.34Å; L112-K116 HydrophobicContact CD2-CD 4.45Å; L112-A117 HydrophobicContact CB-CB 4.21Å; L112-L120 HydrophobicContact CD1-CB 4.46Å; L112-L120 HydrophobicContact CD1-CD2 3.85Å; L112-E193 HydrophobicContact CD2-CB 4.08Å; L112-E193 HydrophobicContact CD2-CG 3.91Å; L112-A194 HydrophobicContact CD1-CB 4.18Å; L112-A194 HydrophobicContact CD2-CB 4.1Å; L112-A194 HydrophobicContact CG-CB 3.89Å; L112-L197 HydrophobicContact CD2-CD1 4.29Å |
| 113 | S | 92 | Very high | 88.9 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | trans | -63.5 | 154.4 | 166.6 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | D115 K116 A117 | S113-D115 VanDerWaalsContact C-N 3.26Å; S113-D115 WeakPolarHBondContact CB-OD1 3.34Å; S113-D115 PolarHBondContact O-N 2.75Å; S113-D115 PolarHBondContact OG-OD1 2.86Å; S113-K116 PolarHBondContact O-N 2.73Å; S113-K116 WeakPolarHBondContact OG-CG 3.24Å; S113-A117 WeakPolarHBondContact O-CB 3.34Å; S113-A117 PolarHBondContact O-N 3.4Å | ||
| 114 | A | 86.7 | Confident | 88.9 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.3 | -37.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A118 | A114-A118 WeakPolarHBondContact O-CB 3.33Å; A114-A118 PolarHBondContact O-N 3.34Å |
| 115 | D | 92.6 | Very high | 88.3 | Confident | 111 Ų | 111 | 52 Ų | 52 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 175.7 | 60 | -55.2 | 0 | 0 | 0 | 112.3 | S113 A118 H119 | S113-D115 VanDerWaalsContact C-N 3.26Å; S113-D115 WeakPolarHBondContact CB-OD1 3.34Å; S113-D115 PolarHBondContact O-N 2.75Å; S113-D115 PolarHBondContact OG-OD1 2.86Å; D115-A118 PolarHBondContact O-N 3.41Å; D115-H119 PolarHBondContact O-N 3.02Å |
| 116 | K | 94.9 | Very high | 88.2 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 30% | 0.296 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.2 | -38.9 | 177.7 | -70.9 | -174.3 | -177.6 | -172.7 | 0 | 112.5 | L112 S113 A118 H119 L120 L190 E193 | L112-K116 HydrophobicContact CB-CB 4.13Å; L112-K116 HydrophobicContact CD1-CB 4.49Å; L112-K116 HydrophobicContact CD2-CB 4.34Å; L112-K116 HydrophobicContact CD2-CD 4.45Å; S113-K116 PolarHBondContact O-N 2.73Å; S113-K116 WeakPolarHBondContact OG-CG 3.24Å; K116-A118 VanDerWaalsContact C-N 3.33Å; K116-H119 PolarHBondContact O-N 2.99Å; K116-L120 WeakPolarHBondContact O-CB 3.43Å; K116-L120 PolarHBondContact O-N 3.37Å; K116-L190 HydrophobicContact CB-CD2 4.02Å; K116-L190 HydrophobicContact CD-CD2 4.43Å; K116-L190 HydrophobicContact CG-CD2 4.24Å; K116-E193 WeakPolarHBondContact CD-OE1 3.14Å; K116-E193 IonicContact NZ-OE1 3.72Å; K116-E193 PolarHBondContact NZ-OE1 2.84Å; K116-E193 IonicContact NZ-OE2 3.85Å; K116-E193 PolarHBondContact NZ-OE2 2.88Å |
| 117 | A | 86.9 | Confident | 88.5 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L112 S113 L120 S121 | L112-A117 HydrophobicContact CB-CB 4.21Å; S113-A117 WeakPolarHBondContact O-CB 3.34Å; S113-A117 PolarHBondContact O-N 3.4Å; A117-L120 PolarHBondContact O-N 3.19Å; A117-S121 WeakPolarHBondContact O-CB 3.35Å; A117-S121 PolarHBondContact O-N 2.93Å; A117-S121 PolarHBondContact O-OG 3.1Å |
| 118 | A | 84.6 | Confident | 88.6 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | A114 D115 K116 S121 K122 | A114-A118 WeakPolarHBondContact O-CB 3.33Å; A114-A118 PolarHBondContact O-N 3.34Å; D115-A118 PolarHBondContact O-N 3.41Å; K116-A118 VanDerWaalsContact C-N 3.33Å; A118-S121 PolarHBondContact O-N 3.15Å; A118-K122 WeakPolarHBondContact O-CB 3.06Å; A118-K122 PolarHBondContact O-N 3.35Å |
| 119 | H | 95 | Very high | 88.5 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 34% | 0.338 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 175.2 | -171.8 | 49.4 | 0 | 0 | 0 | 111.9 | D115 K116 S121 K122 V123 D186 | D115-H119 PolarHBondContact O-N 3.02Å; K116-H119 PolarHBondContact O-N 2.99Å; H119-S121 VanDerWaalsContact C-N 3.33Å; H119-S121 PolarHBondContact O-N 3.05Å; H119-K122 WeakPolarHBondContact O-CB 3.12Å; H119-K122 PolarHBondContact O-N 3.41Å; H119-V123 WeakPolarHBondContact O-CG2 3.47Å; H119-V123 PolarHBondContact O-N 2.91Å; H119-D186 IonicContact CE1-OD2 2.88Å; H119-D186 PolarHBondContact CE1-OD2 3.22Å; H119-D186 IonicContact NE2-OD2 3.58Å; H119-D186 PolarHBondContact NE2-OD2 3.48Å |
| 120 | L | 93.1 | Very high | 89 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 175.8 | 177.4 | 60.6 | 0 | 0 | 0 | 111.5 | A109 L112 K116 A117 K122 V123 M124 Y187 L190 K191 | A109-L120 HydrophobicContact CB-CD2 4Å; L112-L120 HydrophobicContact CD1-CB 4.46Å; L112-L120 HydrophobicContact CD1-CD2 3.85Å; K116-L120 WeakPolarHBondContact O-CB 3.43Å; K116-L120 PolarHBondContact O-N 3.37Å; A117-L120 PolarHBondContact O-N 3.19Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.44Å; L120-V123 PolarHBondContact O-N 3.33Å; L120-M124 HydrophobicContact CD1-CG 4.07Å; L120-M124 HydrophobicContact CD1-SD 4.03Å; L120-M124 HydrophobicContact CG-CG 4.46Å; L120-M124 HydrophobicContact CG-SD 4.03Å; L120-M124 WeakPolarHBondContact O-CB 3.43Å; L120-M124 WeakPolarHBondContact O-CG 3.32Å; L120-M124 PolarHBondContact O-N 2.82Å; L120-Y187 HydrophobicContact CD1-CD2 4.13Å; L120-L190 HydrophobicContact CB-CB 4.38Å; L120-L190 HydrophobicContact CB-CD1 3.86Å; L120-L190 HydrophobicContact CD1-CB 4.11Å; L120-L190 HydrophobicContact CD1-CD1 4.2Å; L120-K191 HydrophobicContact CD1-CG 4.34Å; L120-K191 HydrophobicContact CD2-CD 4.12Å |
| 121 | S | 85.8 | Confident | 89.3 | Confident | 80 Ų | 80 | 51.4 Ų | 51.4 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | A117 A118 H119 G125 | A117-S121 WeakPolarHBondContact O-CB 3.35Å; A117-S121 PolarHBondContact O-N 2.93Å; A117-S121 PolarHBondContact O-OG 3.1Å; A118-S121 PolarHBondContact O-N 3.15Å; H119-S121 VanDerWaalsContact C-N 3.33Å; H119-S121 PolarHBondContact O-N 3.05Å; S121-G125 PolarHBondContact O-N 3.23Å |
| 122 | K | 90.1 | Very high | 88.9 | Confident | 125 Ų | 125 | 53.8 Ų | 53.8 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 174.8 | -178.7 | -176.8 | 169.9 | -172.1 | 0 | 111.5 | A118 H119 L120 M124 G125 E126 | A118-K122 WeakPolarHBondContact O-CB 3.06Å; A118-K122 PolarHBondContact O-N 3.35Å; H119-K122 WeakPolarHBondContact O-CB 3.12Å; H119-K122 PolarHBondContact O-N 3.41Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.44Å; K122-M124 PolarHBondContact O-N 3.22Å; K122-G125 PolarHBondContact O-N 2.9Å; K122-E126 WeakPolarHBondContact CE-OE1 3.31Å; K122-E126 IonicContact NZ-OE1 2.68Å; K122-E126 WeakPolarHBondContact O-CG 3.32Å; K122-E126 PolarHBondContact O-N 3.15Å |
| 123 | V | 96 | Very high | 88.6 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 177.8 | 167 | 0 | 0 | 0 | 0 | 111 | H119 L120 E126 M127 L183 D186 | H119-V123 WeakPolarHBondContact O-CG2 3.47Å; H119-V123 PolarHBondContact O-N 2.91Å; L120-V123 PolarHBondContact O-N 3.33Å; V123-E126 PolarHBondContact O-N 3.42Å; V123-M127 HydrophobicContact CG1-CE 4.2Å; V123-M127 WeakPolarHBondContact O-CG 3.25Å; V123-M127 PolarHBondContact O-N 3.25Å; V123-L183 HydrophobicContact CG1-CB 4.16Å; V123-L183 WeakPolarHBondContact CG1-O 3.26Å; V123-L183 HydrophobicContact CG2-CD2 4.46Å; V123-D186 HydrophobicContact CG2-CB 4.13Å |
| 124 | M | 91.8 | Very high | 88.5 | Confident | 56 Ų | 56 | 54.8 Ų | 54.8 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.5 | -70.1 | -179.7 | 66.8 | 0 | 0 | 112.4 | L120 K122 M127 S128 Y187 D515 | L120-M124 HydrophobicContact CD1-CG 4.07Å; L120-M124 HydrophobicContact CD1-SD 4.03Å; L120-M124 HydrophobicContact CG-CG 4.46Å; L120-M124 HydrophobicContact CG-SD 4.03Å; L120-M124 WeakPolarHBondContact O-CB 3.43Å; L120-M124 WeakPolarHBondContact O-CG 3.32Å; L120-M124 PolarHBondContact O-N 2.82Å; K122-M124 PolarHBondContact O-N 3.22Å; M124-M127 HydrophobicContact CG-CE 4.35Å; M124-M127 PolarHBondContact O-N 3.07Å; M124-S128 WeakPolarHBondContact O-CB 3.25Å; M124-S128 PolarHBondContact O-N 3.04Å; M124-Y187 HydrophobicContact CG-CD2 4.45Å; M124-D515 HydrophobicContact CE-CB 3.7Å |
| 125 | G | 79.6 | Confident | 88.9 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S121 K122 T129 | S121-G125 PolarHBondContact O-N 3.23Å; K122-G125 PolarHBondContact O-N 2.9Å; G125-T129 WeakPolarHBondContact O-CB 3.41Å; G125-T129 PolarHBondContact O-N 3Å; G125-T129 PolarHBondContact O-OG1 3.45Å |
| 126 | E | 91.4 | Very high | 89 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 175.6 | -74.2 | -177.4 | -166.4 | 0 | 0 | 111.8 | K122 V123 S128 T129 I130 L183 | K122-E126 WeakPolarHBondContact CE-OE1 3.31Å; K122-E126 IonicContact NZ-OE1 2.68Å; K122-E126 WeakPolarHBondContact O-CG 3.32Å; K122-E126 PolarHBondContact O-N 3.15Å; V123-E126 PolarHBondContact O-N 3.42Å; E126-S128 PolarHBondContact O-N 3.5Å; E126-T129 PolarHBondContact O-N 3.38Å; E126-I130 WeakPolarHBondContact O-CD1 3.24Å; E126-I130 VanDerWaalsContact O-CG1 3.23Å; E126-I130 WeakPolarHBondContact O-CG1 3.44Å; E126-I130 PolarHBondContact O-N 2.68Å; E126-L183 HydrophobicContact CB-CD1 3.92Å; E126-L183 HydrophobicContact CB-CD2 4.43Å; E126-L183 WeakPolarHBondContact OE2-CD2 3.18Å |
| 127 | M | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 175 | -69.7 | -166.7 | -62.2 | 0 | 0 | 111.4 | V123 M124 T129 I130 Y131 M180 L183 Y184 Y187 | V123-M127 HydrophobicContact CG1-CE 4.2Å; V123-M127 WeakPolarHBondContact O-CG 3.25Å; V123-M127 PolarHBondContact O-N 3.25Å; M124-M127 HydrophobicContact CG-CE 4.35Å; M124-M127 PolarHBondContact O-N 3.07Å; M127-T129 VanDerWaalsContact C-N 3.33Å; M127-T129 PolarHBondContact O-N 2.89Å; M127-I130 PolarHBondContact O-N 2.76Å; M127-Y131 PolarHBondContact O-N 3.38Å; M127-M180 HydrophobicContact CB-CE 4.23Å; M127-M180 HydrophobicContact CB-SD 3.77Å; M127-M180 HydrophobicContact CG-SD 3.68Å; M127-M180 WeakPolarHBondContact O-CE 3.26Å; M127-M180 HydrophobicContact SD-SD 4.39Å; M127-L183 HydrophobicContact CG-CB 3.75Å; M127-L183 HydrophobicContact CG-CD1 3.9Å; M127-L183 HydrophobicContact CG-CG 4.48Å; M127-L183 HydrophobicContact SD-CB 4.2Å; M127-Y184 HydrophobicContact SD-CD2 4Å; M127-Y187 HydrophobicContact CE-CD2 3.95Å; M127-Y187 HydrophobicContact CE-CG 4.05Å |
| 128 | S | 83 | Confident | 88.9 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | M124 E126 Y131 S132 | M124-S128 WeakPolarHBondContact O-CB 3.25Å; M124-S128 PolarHBondContact O-N 3.04Å; E126-S128 PolarHBondContact O-N 3.5Å; S128-Y131 PolarHBondContact O-N 3.09Å; S128-S132 WeakPolarHBondContact O-CB 3.41Å; S128-S132 PolarHBondContact O-N 3.2Å; S128-S132 PolarHBondContact O-OG 3.48Å |
| 129 | T | 81.3 | Confident | 88.8 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | G125 E126 M127 Y131 S132 T133 | G125-T129 WeakPolarHBondContact O-CB 3.41Å; G125-T129 PolarHBondContact O-N 3Å; G125-T129 PolarHBondContact O-OG1 3.45Å; E126-T129 PolarHBondContact O-N 3.38Å; M127-T129 VanDerWaalsContact C-N 3.33Å; M127-T129 PolarHBondContact O-N 2.89Å; T129-Y131 PolarHBondContact O-N 2.87Å; T129-S132 PolarHBondContact O-N 2.95Å; T129-S132 PolarHBondContact O-OG 3.33Å; T129-T133 HydrophobicContact CG2-CG2 4.33Å; T129-T133 WeakPolarHBondContact O-CB 3.06Å; T129-T133 WeakPolarHBondContact O-CG2 3.13Å; T129-T133 PolarHBondContact O-N 3.21Å; T129-T133 PolarHBondContact O-OG1 3.21Å |
| 130 | I | 90.3 | Very high | 88.3 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 177.8 | -67.8 | 162.6 | 0 | 0 | 0 | 109.9 | E126 M127 S132 A134 V176 R179 M180 L183 | E126-I130 WeakPolarHBondContact O-CD1 3.24Å; E126-I130 VanDerWaalsContact O-CG1 3.23Å; E126-I130 WeakPolarHBondContact O-CG1 3.44Å; E126-I130 PolarHBondContact O-N 2.68Å; M127-I130 PolarHBondContact O-N 2.76Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3.4Å; I130-A134 WeakPolarHBondContact O-CB 3.34Å; I130-A134 PolarHBondContact O-N 2.82Å; I130-V176 HydrophobicContact CG2-CB 4.4Å; I130-V176 HydrophobicContact CG2-CG1 4.07Å; I130-V176 HydrophobicContact CG2-CG2 4.28Å; I130-R179 HydrophobicContact CD1-CB 4.13Å; I130-R179 HydrophobicContact CG2-CB 4.39Å; I130-M180 HydrophobicContact CB-CE 3.92Å; I130-M180 HydrophobicContact CB-SD 4.41Å; I130-M180 HydrophobicContact CD1-SD 4.42Å; I130-M180 HydrophobicContact CG2-CE 3.9Å; I130-M180 HydrophobicContact CG2-SD 4.38Å; I130-L183 HydrophobicContact CD1-CD1 3.48Å; I130-L183 VanDerWaalsContact CD1-CD1 3.48Å |
| 131 | Y | 87.8 | Confident | 87.9 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | -178.9 | -172.6 | -89.4 | 0 | 0 | 0 | 112.4 | M127 S128 T129 L148 W172 W276 A508 F510 | M127-Y131 PolarHBondContact O-N 3.38Å; S128-Y131 PolarHBondContact O-N 3.09Å; T129-Y131 PolarHBondContact O-N 2.87Å; Y131-L148 HydrophobicContact CE1-CD2 4Å; Y131-L148 HydrophobicContact CE2-CD2 4.14Å; Y131-L148 WeakPolarHBondContact OH-CD2 3.34Å; Y131-W172 HydrophobicContact CD2-CZ2 4.01Å; Y131-W172 AromaticContact CE2-CZ2 3.96Å; Y131-W172 HydrophobicContact CE2-CZ2 3.96Å; Y131-W172 WeakPolarHBondContact O-CH2 3.44Å; Y131-W276 HydrophobicContact CE2-CZ2 4.38Å; Y131-W276 WeakPolarHBondContact OH-CH2 3.31Å; Y131-W276 WeakPolarHBondContact OH-CZ2 3.5Å; Y131-A508 WeakPolarHBondContact CE2-O 3.41Å; Y131-F510 HydrophobicContact CD1-CD2 4.06Å; Y131-F510 HydrophobicContact CE1-CB 3.83Å; Y131-F510 AromaticContact CE1-CD2 3.73Å; Y131-F510 HydrophobicContact CE1-CD2 3.73Å; Y131-F510 HydrophobicContact CE1-CG 4.27Å; Y131-F510 HydrophobicContact CE2-CB 4.27Å; Y131-F510 VanDerWaalsContact CE2-N 3.3Å; Y131-F510 WeakPolarHBondContact OH-CB 3.38Å; Y131-F510 PolarHBondContact OH-N 3.32Å |
| 132 | S | 80.1 | Confident | 87.8 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -81 | -24.8 | -175.7 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | S128 T129 I130 | S128-S132 WeakPolarHBondContact O-CB 3.41Å; S128-S132 PolarHBondContact O-N 3.2Å; S128-S132 PolarHBondContact O-OG 3.48Å; T129-S132 PolarHBondContact O-N 2.95Å; T129-S132 PolarHBondContact O-OG 3.33Å; I130-S132 VanDerWaalsContact C-N 3.34Å; I130-S132 PolarHBondContact O-N 3.4Å |
| 133 | T | 83.3 | Confident | 87.8 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -117 | -11.9 | -170.6 | 66.9 | 0 | 0 | 0 | 0 | 115 | T129 | T129-T133 HydrophobicContact CG2-CG2 4.33Å; T129-T133 WeakPolarHBondContact O-CB 3.06Å; T129-T133 WeakPolarHBondContact O-CG2 3.13Å; T129-T133 PolarHBondContact O-N 3.21Å; T129-T133 PolarHBondContact O-OG1 3.21Å |
| 134 | A | 91.4 | Very high | 87.5 | Confident | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | trans | -60.8 | 142.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I130 W172 V176 | I130-A134 WeakPolarHBondContact O-CB 3.34Å; I130-A134 PolarHBondContact O-N 2.82Å; A134-W172 HydrophobicContact CB-CH2 4.23Å; A134-W172 HydrophobicContact CB-CZ3 3.88Å; A134-V176 HydrophobicContact CB-CG2 3.42Å; A134-V176 VanDerWaalsContact CB-CG2 3.42Å | ||
| 135 | T | 94 | Very high | 87.6 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.5 | 179.3 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | Q146 T147 | T135-Q146 CarbonylContact C-O 3.56Å; T135-Q146 WeakPolarHBondContact CA-O 3.39Å; T135-T147 HydrophobicContact CG2-CG2 3.82Å |
| 136 | V | 94.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.3 | 171 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | Q146 L152 W172 E175 | V136-Q146 PolarHBondContact N-O 3.38Å; V136-Q146 PolarHBondContact O-N 3.15Å; V136-L152 HydrophobicContact CB-CD1 3.74Å; V136-L152 HydrophobicContact CB-CD2 4.01Å; V136-L152 HydrophobicContact CG2-CD1 3.75Å; V136-W172 HydrophobicContact CG2-CE3 4.29Å; V136-E175 HydrophobicContact CG2-CG 4.25Å |
| 137 | C | 92.3 | Very high | 88.1 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 139.7 | 178.6 | -42 | 0 | 0 | 0 | 0 | 110.8 | N144 C145 H167 | C137-N144 CarbonylContact C-O 3.3Å; C137-N144 VanDerWaalsContact CA-O 3.31Å; C137-N144 WeakPolarHBondContact CA-O 3.3Å; C137-C145 HydrophobicContact CB-CB 4.04Å; C137-C145 WeakPolarHBondContact CB-SG 3.49Å; C137-C145 WeakPolarHBondContact SG-CB 3.3Å; C137-C145 CovalentContact SG-SG 2.06Å; C137-C145 PolarHBondContact SG-SG 2.92Å; C137-H167 PolarHBondContact O-NE2 3.5Å |
| 138 | L | 88 | Confident | 87.7 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | trans | -65.2 | 150.7 | -177.9 | -61.1 | -177.1 | 0 | 0 | 0 | 110.7 | D140 D141 N144 Q146 V155 | L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 3.03Å; L138-D141 CarbonylContact O-C 3.05Å; L138-D141 VanDerWaalsContact O-C 3.32Å; L138-D141 PolarHBondContact O-N 2.78Å; L138-N144 PolarHBondContact N-O 3Å; L138-Q146 HydrophobicContact CD2-CG 4.25Å; L138-Q146 HydrophobicContact CG-CG 4.3Å; L138-V155 HydrophobicContact CD2-CG2 4.35Å | ||
| 139 | K | 82.2 | Confident | 87.5 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 30% | 0.296 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -58.3 | -44.9 | -175.1 | 179.9 | 179.2 | 170.4 | 179.5 | 0 | 112.3 | H167 N697 | K139-H167 HydrophobicContact CB-CB 4.48Å; K139-N697 PolarHBondContact NZ-OD1 3.05Å |
| 140 | D | 83.9 | Confident | 87 | Confident | 145 Ų | 145 | 62.8 Ų | 62.8 | 78% | 0.775 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -91.2 | -8.6 | -174.5 | -61.2 | -29.7 | 0 | 0 | 0 | 113.4 | L138 | L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 3.03Å |
| 141 | D | 85.7 | Confident | 86.7 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | trans | -139.4 | 91.5 | 176.7 | -173.3 | -6.3 | 0 | 0 | 0 | 110.5 | L138 L143 N144 | L138-D141 CarbonylContact O-C 3.05Å; L138-D141 VanDerWaalsContact O-C 3.32Å; L138-D141 PolarHBondContact O-N 2.78Å; D141-L143 PolarHBondContact O-N 2.92Å; D141-L143 VanDerWaalsContact O-N 3.13Å; D141-L143 PolarHBondContact OD1-N 3.47Å; D141-L143 VanDerWaalsContact OD1-N 3.09Å; D141-N144 HydrophobicContact CB-CB 3.83Å; D141-N144 VanDerWaalsContact CG-CB 3.44Å; D141-N144 PolarHBondContact O-N 3.39Å; D141-N144 PolarHBondContact OD1-N 3.43Å; D141-N144 VanDerWaalsContact OD2-CB 3.31Å; D141-N144 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 142 | P | 82.6 | Confident | 87 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -7.2 | -177.2 | 29.4 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 143 | L | 90.1 | Very high | 87.4 | Confident | 160 Ų | 160 | 61.4 Ų | 61.4 | 84% | 0.838 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -12.6 | 173.3 | -61.9 | 177.6 | 0 | 0 | 0 | 112.3 | D141 | D141-L143 PolarHBondContact O-N 2.92Å; D141-L143 VanDerWaalsContact O-N 3.13Å; D141-L143 PolarHBondContact OD1-N 3.47Å; D141-L143 VanDerWaalsContact OD1-N 3.09Å |
| 144 | N | 91.4 | Very high | 87.7 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | trans | -97.9 | 92.6 | -179.9 | -174.5 | -4.6 | 0 | 0 | 0 | 110.4 | C137 L138 D141 Q146 | C137-N144 CarbonylContact C-O 3.3Å; C137-N144 VanDerWaalsContact CA-O 3.31Å; C137-N144 WeakPolarHBondContact CA-O 3.3Å; L138-N144 PolarHBondContact N-O 3Å; D141-N144 HydrophobicContact CB-CB 3.83Å; D141-N144 VanDerWaalsContact CG-CB 3.44Å; D141-N144 PolarHBondContact O-N 3.39Å; D141-N144 PolarHBondContact OD1-N 3.43Å; D141-N144 VanDerWaalsContact OD2-CB 3.31Å; D141-N144 WeakPolarHBondContact OD2-CB 3.5Å; N144-Q146 PolarHBondContact OD1-NE2 3.49Å | ||
| 145 | C | 93.9 | Very high | 87.9 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.6 | -179.6 | -43 | 0 | 0 | 0 | 0 | 111.3 | C137 | C137-C145 HydrophobicContact CB-CB 4.04Å; C137-C145 WeakPolarHBondContact CB-SG 3.49Å; C137-C145 WeakPolarHBondContact SG-CB 3.3Å; C137-C145 CovalentContact SG-SG 2.06Å; C137-C145 PolarHBondContact SG-SG 2.92Å |
| 146 | Q | 91.4 | Very high | 88 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.3 | -171.2 | -66.6 | -67.2 | -32.4 | 0 | 0 | 110.1 | T135 V136 L138 N144 L152 | T135-Q146 CarbonylContact C-O 3.56Å; T135-Q146 WeakPolarHBondContact CA-O 3.39Å; V136-Q146 PolarHBondContact N-O 3.38Å; V136-Q146 PolarHBondContact O-N 3.15Å; L138-Q146 HydrophobicContact CD2-CG 4.25Å; L138-Q146 HydrophobicContact CG-CG 4.3Å; N144-Q146 PolarHBondContact OD1-NE2 3.49Å; Q146-L152 HydrophobicContact CB-CD2 3.91Å; Q146-L152 HydrophobicContact CB-CG 4.21Å |
| 147 | T | 89.3 | Confident | 87.8 | Confident | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 166.1 | 165.3 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | T135 E149 L152 | T135-T147 HydrophobicContact CG2-CG2 3.82Å; T147-E149 PolarHBondContact OG1-O 3.42Å; T147-L152 WeakPolarHBondContact O-CG 3.45Å; T147-L152 PolarHBondContact O-N 2.8Å |
| 148 | L | 86.4 | Confident | 87.8 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -53.7 | -59.9 | 176.2 | 179.2 | 63.9 | 0 | 0 | 0 | 111.6 | Y131 G151 L152 E153 W172 M275 W276 | Y131-L148 HydrophobicContact CE1-CD2 4Å; Y131-L148 HydrophobicContact CE2-CD2 4.14Å; Y131-L148 WeakPolarHBondContact OH-CD2 3.34Å; L148-G151 PolarHBondContact O-N 3.33Å; L148-L152 HydrophobicContact CD1-CB 4.41Å; L148-L152 PolarHBondContact O-N 2.93Å; L148-E153 HydrophobicContact CD1-CG 3.85Å; L148-E153 HydrophobicContact CG-CG 4.06Å; L148-E153 PolarHBondContact O-N 3.19Å; L148-W172 HydrophobicContact CB-CH2 3.63Å; L148-W172 HydrophobicContact CB-CZ2 3.99Å; L148-W172 HydrophobicContact CB-CZ3 3.94Å; L148-W172 HydrophobicContact CD2-CH2 4.23Å; L148-W172 HydrophobicContact CD2-CZ2 3.75Å; L148-W172 HydrophobicContact CG-CH2 4.45Å; L148-W172 HydrophobicContact CG-CZ2 4.32Å; L148-M275 HydrophobicContact CD1-CB 4.35Å; L148-M275 HydrophobicContact CD1-CE 3.85Å; L148-M275 HydrophobicContact CD1-CG 4.21Å; L148-W276 HydrophobicContact CD2-CH2 3.84Å; L148-W276 HydrophobicContact CD2-CZ2 3.91Å |
| 149 | E | 78.5 | Confident | 88.2 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -102.7 | 132.8 | 176.3 | -69.1 | -179.6 | -151.2 | 0 | 0 | 110.4 | T147 E153 | T147-E149 PolarHBondContact OG1-O 3.42Å; E149-E153 HydrophobicContact CG-CG 4.33Å; E149-E153 WeakPolarHBondContact CG-OE2 3.45Å |
| 150 | P | 69.8 | Low | 88.8 | Confident | 112 Ų | 112 | 67.9 Ų | 67.9 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | I | π-helix | cis | -85.9 | 0.2 | -8.4 | 36.3 | -35.9 | 0 | 0 | 0 | 113.9 | ||
| 151 | G | 84.3 | Confident | 89.3 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -73.5 | -68.6 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L148 E153 H154 | L148-G151 PolarHBondContact O-N 3.33Å; G151-E153 VanDerWaalsContact C-N 3.31Å; G151-E153 PolarHBondContact O-N 3.48Å; G151-H154 WeakPolarHBondContact O-CB 3.35Å; G151-H154 PolarHBondContact O-N 3.5Å |
| 152 | L | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -67.7 | -30.8 | -174.6 | -57.4 | 176.4 | 0 | 0 | 0 | 112.7 | V136 Q146 T147 L148 H154 V155 M156 V168 W172 M275 | V136-L152 HydrophobicContact CB-CD1 3.74Å; V136-L152 HydrophobicContact CB-CD2 4.01Å; V136-L152 HydrophobicContact CG2-CD1 3.75Å; Q146-L152 HydrophobicContact CB-CD2 3.91Å; Q146-L152 HydrophobicContact CB-CG 4.21Å; T147-L152 WeakPolarHBondContact O-CG 3.45Å; T147-L152 PolarHBondContact O-N 2.8Å; L148-L152 HydrophobicContact CD1-CB 4.41Å; L148-L152 PolarHBondContact O-N 2.93Å; L152-H154 VanDerWaalsContact C-N 3.28Å; L152-H154 PolarHBondContact O-N 2.85Å; L152-V155 PolarHBondContact O-N 3.22Å; L152-M156 WeakPolarHBondContact O-CG 3.22Å; L152-M156 PolarHBondContact O-N 3.15Å; L152-V168 HydrophobicContact CB-CG1 3.84Å; L152-V168 HydrophobicContact CD2-CG1 4Å; L152-V168 HydrophobicContact CD2-CG2 4.18Å; L152-V168 HydrophobicContact CG-CG1 4.33Å; L152-W172 HydrophobicContact CD1-CE3 3.88Å; L152-W172 HydrophobicContact CD1-CZ3 4.38Å; L152-M275 HydrophobicContact CB-CE 4.17Å |
| 153 | E | 89.5 | Confident | 90 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -35.3 | 174.6 | -73.2 | -166.3 | 160.9 | 0 | 0 | 112.9 | L148 E149 G151 V155 M156 S157 | L148-E153 HydrophobicContact CD1-CG 3.85Å; L148-E153 HydrophobicContact CG-CG 4.06Å; L148-E153 PolarHBondContact O-N 3.19Å; E149-E153 HydrophobicContact CG-CG 4.33Å; E149-E153 WeakPolarHBondContact CG-OE2 3.45Å; G151-E153 VanDerWaalsContact C-N 3.31Å; G151-E153 PolarHBondContact O-N 3.48Å; E153-V155 VanDerWaalsContact C-N 3.31Å; E153-V155 PolarHBondContact O-N 3.25Å; E153-M156 PolarHBondContact O-N 3.49Å; E153-S157 WeakPolarHBondContact O-CB 3.43Å; E153-S157 PolarHBondContact O-N 3.39Å; E153-S157 PolarHBondContact O-OG 3.3Å |
| 154 | H | 90.4 | Very high | 90.2 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 176 | -176.8 | 70.7 | 0 | 0 | 0 | 111.6 | G151 L152 S157 N158 | G151-H154 WeakPolarHBondContact O-CB 3.35Å; G151-H154 PolarHBondContact O-N 3.5Å; L152-H154 VanDerWaalsContact C-N 3.28Å; L152-H154 PolarHBondContact O-N 2.85Å; H154-S157 WeakPolarHBondContact CA-OG 3.14Å; H154-S157 PolarHBondContact O-N 3.4Å; H154-S157 PolarHBondContact O-OG 2.89Å; H154-S157 VanDerWaalsContact O-OG 3.04Å; H154-N158 PolarHBondContact CE1-ND2 2.98Å; H154-N158 VanDerWaalsContact CE1-ND2 3.27Å; H154-N158 PolarHBondContact ND1-ND2 3.39Å; H154-N158 VanDerWaalsContact ND1-ND2 3.13Å; H154-N158 WeakPolarHBondContact O-CB 3.36Å; H154-N158 PolarHBondContact O-N 3.4Å; H154-N158 PolarHBondContact O-ND2 3.43Å |
| 155 | V | 94.1 | Very high | 90.4 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 9% | 0.085 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | L138 L152 E153 S157 N158 S159 E164 V168 | L138-V155 HydrophobicContact CD2-CG2 4.35Å; L152-V155 PolarHBondContact O-N 3.22Å; E153-V155 VanDerWaalsContact C-N 3.31Å; E153-V155 PolarHBondContact O-N 3.25Å; V155-S157 VanDerWaalsContact C-N 3.25Å; V155-S157 PolarHBondContact O-N 3.47Å; V155-N158 PolarHBondContact O-N 3.01Å; V155-S159 WeakPolarHBondContact O-CB 3.36Å; V155-S159 PolarHBondContact O-N 3.47Å; V155-E164 HydrophobicContact CG1-CG 3.8Å; V155-V168 HydrophobicContact CB-CG2 4.31Å; V155-V168 HydrophobicContact CG1-CG2 3.92Å |
| 156 | M | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.5 | -20.4 | -178.6 | -63.2 | -54 | -67.5 | 0 | 0 | 113.8 | L152 E153 R165 V168 W169 H270 G273 D274 M275 | L152-M156 WeakPolarHBondContact O-CG 3.22Å; L152-M156 PolarHBondContact O-N 3.15Å; E153-M156 PolarHBondContact O-N 3.49Å; M156-R165 PolarHBondContact O-NH1 3.39Å; M156-R165 PolarHBondContact O-NH2 3.26Å; M156-R165 HydrophobicContact SD-CB 4.28Å; M156-V168 HydrophobicContact CG-CG1 3.78Å; M156-V168 HydrophobicContact SD-CB 3.99Å; M156-V168 HydrophobicContact SD-CG1 3.71Å; M156-W169 HydrophobicContact CE-CB 4.03Å; M156-W169 HydrophobicContact CE-CG 4.47Å; M156-H270 HydrophobicContact CE-CB 4.33Å; M156-H270 WeakPolarHBondContact CE-O 3.4Å; M156-G273 CarbonylContact O-C 3.54Å; M156-G273 VanDerWaalsContact O-C 3.22Å; M156-G273 VanDerWaalsContact O-O 3.1Å; M156-D274 WeakPolarHBondContact CE-O 3.31Å; M156-M275 HydrophobicContact CG-CE 3.97Å; M156-M275 HydrophobicContact CG-SD 4.45Å |
| 157 | S | 91.8 | Very high | 90.5 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -89.4 | -35.8 | 175.4 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | E153 H154 V155 G273 N282 | E153-S157 WeakPolarHBondContact O-CB 3.43Å; E153-S157 PolarHBondContact O-N 3.39Å; E153-S157 PolarHBondContact O-OG 3.3Å; H154-S157 WeakPolarHBondContact CA-OG 3.14Å; H154-S157 PolarHBondContact O-N 3.4Å; H154-S157 PolarHBondContact O-OG 2.89Å; H154-S157 VanDerWaalsContact O-OG 3.04Å; V155-S157 VanDerWaalsContact C-N 3.25Å; V155-S157 PolarHBondContact O-N 3.47Å; S157-G273 WeakPolarHBondContact CA-O 3.48Å; S157-N282 WeakPolarHBondContact CB-ND2 3.46Å |
| 158 | N | 92.4 | Very high | 90.7 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -112.6 | -30.2 | -168.1 | -62.6 | -77.3 | 0 | 0 | 0 | 114.8 | H154 V155 R160 | H154-N158 PolarHBondContact CE1-ND2 2.98Å; H154-N158 VanDerWaalsContact CE1-ND2 3.27Å; H154-N158 PolarHBondContact ND1-ND2 3.39Å; H154-N158 VanDerWaalsContact ND1-ND2 3.13Å; H154-N158 WeakPolarHBondContact O-CB 3.36Å; H154-N158 PolarHBondContact O-N 3.4Å; H154-N158 PolarHBondContact O-ND2 3.43Å; V155-N158 PolarHBondContact O-N 3.01Å; N158-R160 PolarHBondContact O-N 3Å |
| 159 | S | 94.8 | Very high | 91.2 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | trans | -65.5 | 139.4 | -175.8 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | V155 D161 E164 R165 | V155-S159 WeakPolarHBondContact O-CB 3.36Å; V155-S159 PolarHBondContact O-N 3.47Å; S159-D161 PolarHBondContact OG-N 3.26Å; S159-D161 VanDerWaalsContact OG-N 3.11Å; S159-E164 VanDerWaalsContact CB-OE2 3.22Å; S159-E164 WeakPolarHBondContact CB-OE2 3.43Å; S159-E164 PolarHBondContact OG-OE2 3.11Å; S159-R165 WeakPolarHBondContact O-CD 3.47Å; S159-R165 PolarHBondContact O-NH1 2.91Å | ||
| 160 | R | 95.6 | Very high | 92 | Very high | 162 Ų | 162 | 41.6 Ų | 41.6 | 61% | 0.611 | 21% | 0.211 | S | C | * | . | trans | -110.3 | 6 | 172.2 | -55.7 | -177.3 | -174.4 | -169.4 | -1.7 | 111.9 | N158 Y257 | N158-R160 PolarHBondContact O-N 3Å; R160-Y257 WeakPolarHBondContact O-CE1 3.48Å | ||
| 161 | D | 94.5 | Very high | 93.2 | Very high | 79 Ų | 79 | 36.3 Ų | 36.3 | 42% | 0.422 | 18% | 0.177 | S | C | . | . | trans | -85.4 | 118.1 | 174.8 | -174.9 | -62 | 0 | 0 | 0 | 109 | S159 E163 E164 R165 | S159-D161 PolarHBondContact OG-N 3.26Å; S159-D161 VanDerWaalsContact OG-N 3.11Å; D161-E163 VanDerWaalsContact C-N 3.27Å; D161-E163 PolarHBondContact O-N 3.05Å; D161-E163 WeakPolarHBondContact OD1-CA 3Å; D161-E163 WeakPolarHBondContact OD1-CB 3.38Å; D161-E163 PolarHBondContact OD1-N 3.15Å; D161-E164 HydrophobicContact CB-CB 3.82Å; D161-E164 PolarHBondContact OD1-N 2.99Å; D161-R165 VanDerWaalsContact O-CG 3.24Å; D161-R165 WeakPolarHBondContact O-CG 3.45Å; D161-R165 PolarHBondContact O-N 3.03Å | ||
| 162 | Y | 93.2 | Very high | 93.8 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56 | -44.7 | -179.3 | 179.9 | -85.1 | 0 | 0 | 0 | 111.7 | L166 Y257 Y260 H270 L271 | Y162-L166 HydrophobicContact CE1-CD2 3.84Å; Y162-L166 WeakPolarHBondContact O-CB 3.47Å; Y162-L166 PolarHBondContact O-N 3.21Å; Y162-Y257 HydrophobicContact CD2-CD1 4.29Å; Y162-Y260 AromaticContact CD1-CD1 3.78Å; Y162-Y260 HydrophobicContact CD1-CD1 3.78Å; Y162-Y260 AromaticContact CD1-CE1 3.49Å; Y162-Y260 HydrophobicContact CD1-CE1 3.49Å; Y162-Y260 VanDerWaalsContact CD1-CE1 3.49Å; Y162-Y260 HydrophobicContact CD1-CG 4.47Å; Y162-Y260 AromaticContact CD2-CD1 3.67Å; Y162-Y260 HydrophobicContact CD2-CD1 3.67Å; Y162-Y260 HydrophobicContact CD2-CD2 4.16Å; Y162-Y260 HydrophobicContact CD2-CE1 4.16Å; Y162-Y260 AromaticContact CD2-CG 3.64Å; Y162-Y260 HydrophobicContact CD2-CG 3.64Å; Y162-Y260 AromaticContact CE1-CD1 3.56Å; Y162-Y260 HydrophobicContact CE1-CD1 3.56Å; Y162-Y260 AromaticContact CE1-CE1 3.55Å; Y162-Y260 HydrophobicContact CE1-CE1 3.55Å; Y162-Y260 HydrophobicContact CE1-CG 4.5Å; Y162-Y260 AromaticContact CE2-CD1 3.44Å; Y162-Y260 HydrophobicContact CE2-CD1 3.44Å; Y162-Y260 VanDerWaalsContact CE2-CD1 3.44Å; Y162-Y260 HydrophobicContact CE2-CE1 4.19Å; Y162-Y260 AromaticContact CE2-CG 3.65Å; Y162-Y260 HydrophobicContact CE2-CG 3.65Å; Y162-Y260 AromaticContact CG-CD1 3.84Å; Y162-Y260 HydrophobicContact CG-CD1 3.84Å; Y162-Y260 HydrophobicContact CG-CD2 4.34Å; Y162-Y260 AromaticContact CG-CE1 3.83Å; Y162-Y260 HydrophobicContact CG-CE1 3.83Å; Y162-Y260 HydrophobicContact CG-CE2 4.36Å; Y162-Y260 HydrophobicContact CG-CG 4.07Å; Y162-Y260 AromaticContact CZ-CD1 3.39Å; Y162-Y260 AromaticContact CZ-CE1 3.91Å; Y162-H270 AromaticContact CD2-NE2 3.51Å; Y162-H270 AromaticContact CE1-NE2 3.71Å; Y162-H270 AromaticContact CE2-CE1 3.5Å; Y162-H270 VanDerWaalsContact CE2-CE1 3.5Å; Y162-H270 WeakPolarHBondContact CE2-CE1 3.32Å; Y162-H270 AromaticContact CE2-NE2 3.16Å; Y162-H270 WeakPolarHBondContact CE2-NE2 3.43Å; Y162-H270 AromaticContact CG-NE2 3.92Å; Y162-H270 AromaticContact CZ-CE1 3.44Å; Y162-H270 VanDerWaalsContact CZ-CE1 3.44Å; Y162-H270 AromaticContact CZ-NE2 3.27Å; Y162-H270 VanDerWaalsContact CZ-NE2 3.27Å; Y162-H270 PolarHBondContact OH-CE1 3.4Å; Y162-L271 HydrophobicContact CD2-CD1 3.91Å; Y162-L271 HydrophobicContact CD2-CD2 3.95Å; Y162-L271 HydrophobicContact CD2-CG 4.4Å; Y162-L271 HydrophobicContact CE2-CD1 3.92Å; Y162-L271 HydrophobicContact CE2-CD2 4.45Å; Y162-L271 HydrophobicContact CE2-CG 4.47Å |
| 163 | E | 90.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.1 | -36.2 | -170.5 | -51 | -77.4 | 135.8 | 0 | 0 | 111.3 | D161 L166 H167 Y260 N697 S699 T700 | D161-E163 VanDerWaalsContact C-N 3.27Å; D161-E163 PolarHBondContact O-N 3.05Å; D161-E163 WeakPolarHBondContact OD1-CA 3Å; D161-E163 WeakPolarHBondContact OD1-CB 3.38Å; D161-E163 PolarHBondContact OD1-N 3.15Å; E163-L166 PolarHBondContact O-N 3.29Å; E163-H167 VanDerWaalsContact O-CB 3.31Å; E163-H167 WeakPolarHBondContact O-CB 3.43Å; E163-H167 PolarHBondContact O-N 3.41Å; E163-Y260 PolarHBondContact OE1-OH 2.85Å; E163-Y260 VanDerWaalsContact OE1-OH 3.09Å; E163-N697 PolarHBondContact OE2-ND2 2.84Å; E163-N697 PolarHBondContact OE2-OD1 2.88Å; E163-S699 PolarHBondContact O-OG 3.32Å; E163-S699 VanDerWaalsContact OE2-C 3.28Å; E163-S699 WeakPolarHBondContact OE2-CB 3.46Å; E163-T700 PolarHBondContact OE2-OG1 3.4Å; E163-T700 VanDerWaalsContact OE2-OG1 3.08Å |
| 164 | E | 92.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 173.6 | -170.6 | -173.5 | -161.1 | 0 | 0 | 110.8 | V155 S159 D161 L166 H167 V168 | V155-E164 HydrophobicContact CG1-CG 3.8Å; S159-E164 VanDerWaalsContact CB-OE2 3.22Å; S159-E164 WeakPolarHBondContact CB-OE2 3.43Å; S159-E164 PolarHBondContact OG-OE2 3.11Å; D161-E164 HydrophobicContact CB-CB 3.82Å; D161-E164 PolarHBondContact OD1-N 2.99Å; E164-L166 VanDerWaalsContact C-N 3.35Å; E164-L166 PolarHBondContact O-N 3.26Å; E164-H167 PolarHBondContact O-N 3.44Å; E164-V168 PolarHBondContact O-N 3.3Å |
| 165 | R | 95.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.4 | -66 | 178.3 | 73 | 79 | 15 | 111.7 | M156 S159 D161 V168 W169 H270 | M156-R165 PolarHBondContact O-NH1 3.39Å; M156-R165 PolarHBondContact O-NH2 3.26Å; M156-R165 HydrophobicContact SD-CB 4.28Å; S159-R165 WeakPolarHBondContact O-CD 3.47Å; S159-R165 PolarHBondContact O-NH1 2.91Å; D161-R165 VanDerWaalsContact O-CG 3.24Å; D161-R165 WeakPolarHBondContact O-CG 3.45Å; D161-R165 PolarHBondContact O-N 3.03Å; R165-V168 PolarHBondContact O-N 2.57Å; R165-W169 WeakPolarHBondContact O-CB 3.27Å; R165-W169 PolarHBondContact O-N 2.93Å; R165-H270 VanDerWaalsContact CZ-O 3.29Å; R165-H270 PolarHBondContact NE-O 3.41Å; R165-H270 PolarHBondContact NH2-O 3.05Å |
| 166 | L | 94.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -43 | 177.4 | -179.3 | 50.3 | 0 | 0 | 0 | 111.6 | Y162 E163 E164 V168 W169 E170 P496 V497 S699 | Y162-L166 HydrophobicContact CE1-CD2 3.84Å; Y162-L166 WeakPolarHBondContact O-CB 3.47Å; Y162-L166 PolarHBondContact O-N 3.21Å; E163-L166 PolarHBondContact O-N 3.29Å; E164-L166 VanDerWaalsContact C-N 3.35Å; E164-L166 PolarHBondContact O-N 3.26Å; L166-V168 PolarHBondContact O-N 2.85Å; L166-W169 HydrophobicContact CD1-CE3 4.35Å; L166-W169 PolarHBondContact O-N 2.99Å; L166-E170 VanDerWaalsContact O-CB 3.32Å; L166-E170 WeakPolarHBondContact O-CB 3.26Å; L166-E170 PolarHBondContact O-N 3.35Å; L166-P496 HydrophobicContact CD1-CB 3.55Å; L166-P496 HydrophobicContact CD1-CG 3.34Å; L166-P496 HydrophobicContact CD2-CB 4.41Å; L166-V497 HydrophobicContact CD1-CG2 4.08Å; L166-S699 WeakPolarHBondContact CB-OG 3.45Å; L166-S699 WeakPolarHBondContact CG-OG 3.29Å |
| 167 | H | 93 | Very high | 94.3 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 20% | 0.199 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 176.3 | 173.9 | 82.8 | 0 | 0 | 0 | 111.9 | C137 K139 E163 E164 G171 | C137-H167 PolarHBondContact O-NE2 3.5Å; K139-H167 HydrophobicContact CB-CB 4.48Å; E163-H167 VanDerWaalsContact O-CB 3.31Å; E163-H167 WeakPolarHBondContact O-CB 3.43Å; E163-H167 PolarHBondContact O-N 3.41Å; E164-H167 PolarHBondContact O-N 3.44Å; H167-G171 WeakPolarHBondContact O-CA 3.41Å; H167-G171 PolarHBondContact O-N 3.39Å |
| 168 | V | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 178.1 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | L152 V155 M156 E164 R165 L166 G171 W172 M275 | L152-V168 HydrophobicContact CB-CG1 3.84Å; L152-V168 HydrophobicContact CD2-CG1 4Å; L152-V168 HydrophobicContact CD2-CG2 4.18Å; L152-V168 HydrophobicContact CG-CG1 4.33Å; V155-V168 HydrophobicContact CB-CG2 4.31Å; V155-V168 HydrophobicContact CG1-CG2 3.92Å; M156-V168 HydrophobicContact CG-CG1 3.78Å; M156-V168 HydrophobicContact SD-CB 3.99Å; M156-V168 HydrophobicContact SD-CG1 3.71Å; E164-V168 PolarHBondContact O-N 3.3Å; R165-V168 PolarHBondContact O-N 2.57Å; L166-V168 PolarHBondContact O-N 2.85Å; V168-G171 PolarHBondContact O-N 2.96Å; V168-W172 WeakPolarHBondContact O-CB 3.33Å; V168-W172 PolarHBondContact O-N 3.26Å; V168-M275 HydrophobicContact CG1-CE 3.65Å |
| 169 | W | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | -178.2 | -177.1 | 98.9 | 0 | 0 | 0 | 113 | M156 R165 L166 R173 A269 H270 M275 W484 E495 P496 | M156-W169 HydrophobicContact CE-CB 4.03Å; M156-W169 HydrophobicContact CE-CG 4.47Å; R165-W169 WeakPolarHBondContact O-CB 3.27Å; R165-W169 PolarHBondContact O-N 2.93Å; L166-W169 HydrophobicContact CD1-CE3 4.35Å; L166-W169 PolarHBondContact O-N 2.99Å; W169-R173 VanDerWaalsContact CZ2-CZ 3.46Å; W169-R173 WeakPolarHBondContact O-CD 3.45Å; W169-R173 PolarHBondContact O-N 2.91Å; W169-R173 PolarHBondContact O-NH1 2.84Å; W169-A269 HydrophobicContact CZ2-CB 3.72Å; W169-H270 HydrophobicContact CB-CB 3.59Å; W169-H270 HydrophobicContact CD2-CB 4.07Å; W169-H270 HydrophobicContact CG-CB 3.5Å; W169-M275 PolarHBondContact NE1-O 3.12Å; W169-W484 HydrophobicContact CH2-CH2 4.04Å; W169-W484 AromaticContact CH2-CZ2 3.81Å; W169-W484 HydrophobicContact CH2-CZ2 3.81Å; W169-W484 AromaticContact CZ2-CH2 3.74Å; W169-W484 HydrophobicContact CZ2-CH2 3.74Å; W169-W484 AromaticContact CZ2-CZ2 3.82Å; W169-W484 HydrophobicContact CZ2-CZ2 3.82Å; W169-E495 HydrophobicContact CH2-CB 4.44Å; W169-P496 HydrophobicContact CD2-CG 4.24Å; W169-P496 HydrophobicContact CE3-CG 3.61Å; W169-P496 VanDerWaalsContact CH2-CD 3.48Å; W169-P496 HydrophobicContact CH2-CG 4Å; W169-P496 VanDerWaalsContact CZ3-CD 3.45Å; W169-P496 HydrophobicContact CZ3-CG 3.42Å; W169-P496 VanDerWaalsContact CZ3-CG 3.42Å |
| 170 | E | 94.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.5 | -44.4 | 176.4 | 173.8 | 54.9 | -152.3 | 0 | 0 | 111.2 | L166 W172 R173 R174 R499 Y503 | L166-E170 VanDerWaalsContact O-CB 3.32Å; L166-E170 WeakPolarHBondContact O-CB 3.26Å; L166-E170 PolarHBondContact O-N 3.35Å; E170-W172 VanDerWaalsContact C-N 3.3Å; E170-W172 PolarHBondContact O-N 2.57Å; E170-R173 PolarHBondContact O-N 3.4Å; E170-R173 VanDerWaalsContact O-N 3.11Å; E170-R174 PolarHBondContact O-N 3.4Å; E170-R499 IonicContact OE1-NH1 3.26Å; E170-R499 IonicContact OE2-CZ 2.7Å; E170-R499 IonicContact OE2-NH1 2.6Å; E170-R499 PolarHBondContact OE2-NH1 2.91Å; E170-R499 IonicContact OE2-NH2 2.89Å; E170-R499 PolarHBondContact OE2-NH2 3.48Å; E170-Y503 WeakPolarHBondContact OE1-CE1 3.47Å; E170-Y503 PolarHBondContact OE1-OH 2.88Å |
| 171 | G | 94.2 | Very high | 95 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.1 | -47.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H167 V168 R173 R174 E175 | H167-G171 WeakPolarHBondContact O-CA 3.41Å; H167-G171 PolarHBondContact O-N 3.39Å; V168-G171 PolarHBondContact O-N 2.96Å; G171-R173 VanDerWaalsContact C-N 3.35Å; G171-R173 PolarHBondContact O-N 3.04Å; G171-R174 PolarHBondContact O-N 2.9Å; G171-E175 WeakPolarHBondContact O-CB 3.45Å; G171-E175 WeakPolarHBondContact O-CG 3.42Å; G171-E175 PolarHBondContact O-N 3.48Å |
| 172 | W | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 177.6 | -175 | -113.9 | 0 | 0 | 0 | 112.5 | Y131 A134 V136 L148 L152 V168 E170 R174 E175 V176 M275 A508 | Y131-W172 HydrophobicContact CD2-CZ2 4.01Å; Y131-W172 AromaticContact CE2-CZ2 3.96Å; Y131-W172 HydrophobicContact CE2-CZ2 3.96Å; Y131-W172 WeakPolarHBondContact O-CH2 3.44Å; A134-W172 HydrophobicContact CB-CH2 4.23Å; A134-W172 HydrophobicContact CB-CZ3 3.88Å; V136-W172 HydrophobicContact CG2-CE3 4.29Å; L148-W172 HydrophobicContact CB-CH2 3.63Å; L148-W172 HydrophobicContact CB-CZ2 3.99Å; L148-W172 HydrophobicContact CB-CZ3 3.94Å; L148-W172 HydrophobicContact CD2-CH2 4.23Å; L148-W172 HydrophobicContact CD2-CZ2 3.75Å; L148-W172 HydrophobicContact CG-CH2 4.45Å; L148-W172 HydrophobicContact CG-CZ2 4.32Å; L152-W172 HydrophobicContact CD1-CE3 3.88Å; L152-W172 HydrophobicContact CD1-CZ3 4.38Å; V168-W172 WeakPolarHBondContact O-CB 3.33Å; V168-W172 PolarHBondContact O-N 3.26Å; E170-W172 VanDerWaalsContact C-N 3.3Å; E170-W172 PolarHBondContact O-N 2.57Å; W172-R174 VanDerWaalsContact C-N 3.32Å; W172-R174 PolarHBondContact O-N 2.92Å; W172-E175 PolarHBondContact O-N 3.2Å; W172-V176 HydrophobicContact CD2-CB 4.39Å; W172-V176 HydrophobicContact CD2-CG2 3.81Å; W172-V176 HydrophobicContact CE3-CG2 3.73Å; W172-V176 HydrophobicContact CH2-CG2 3.57Å; W172-V176 HydrophobicContact CZ2-CB 4.35Å; W172-V176 HydrophobicContact CZ2-CG1 4.38Å; W172-V176 HydrophobicContact CZ2-CG2 3.64Å; W172-V176 HydrophobicContact CZ3-CG2 3.61Å; W172-V176 WeakPolarHBondContact O-CA 3.49Å; W172-V176 VanDerWaalsContact O-CB 3.24Å; W172-V176 WeakPolarHBondContact O-CB 3.12Å; W172-V176 PolarHBondContact O-N 3.11Å; W172-M275 HydrophobicContact CB-CE 3.74Å; W172-M275 HydrophobicContact CB-SD 3.78Å; W172-M275 HydrophobicContact CG-CE 3.91Å; W172-M275 HydrophobicContact CG-CG 4.38Å; W172-M275 HydrophobicContact CG-SD 3.94Å; W172-A508 PolarHBondContact NE1-O 3.16Å |
| 173 | R | 96.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -70.3 | -29.8 | -179.5 | -74.3 | 160 | 178.3 | 73 | 2.2 | 112.9 | W169 E170 G171 G177 K178 M275 R499 Y503 | W169-R173 VanDerWaalsContact CZ2-CZ 3.46Å; W169-R173 WeakPolarHBondContact O-CD 3.45Å; W169-R173 PolarHBondContact O-N 2.91Å; W169-R173 PolarHBondContact O-NH1 2.84Å; E170-R173 PolarHBondContact O-N 3.4Å; E170-R173 VanDerWaalsContact O-N 3.11Å; G171-R173 VanDerWaalsContact C-N 3.35Å; G171-R173 PolarHBondContact O-N 3.04Å; R173-G177 CarbonylContact O-C 3.56Å; R173-G177 WeakPolarHBondContact O-CA 3.28Å; R173-G177 PolarHBondContact O-N 3.43Å; R173-K178 PolarHBondContact O-N 3.33Å; R173-M275 PolarHBondContact NH1-O 3.25Å; R173-M275 PolarHBondContact NH1-SD 3.48Å; R173-M275 VanDerWaalsContact NH1-SD 3.36Å; R173-M275 PolarHBondContact NH2-O 3.4Å; R173-R499 VanDerWaalsContact CD-NH2 3.27Å; R173-Y503 HydrophobicContact CB-CD1 4.2Å; R173-Y503 HydrophobicContact CB-CE1 4.29Å |
| 174 | R | 93.5 | Very high | 95.8 | Very high | 109 Ų | 109 | 29.4 Ų | 29.4 | 41% | 0.411 | 13% | 0.133 | S | C | . | . | I | π-helix | trans | -72.5 | -50.6 | 172.7 | -170 | -179.4 | 67.1 | -144.7 | -4.2 | 111.7 | E170 G171 W172 K178 | E170-R174 PolarHBondContact O-N 3.4Å; G171-R174 PolarHBondContact O-N 2.9Å; W172-R174 VanDerWaalsContact C-N 3.32Å; W172-R174 PolarHBondContact O-N 2.92Å; R174-K178 HydrophobicContact CG-CD 4.17Å; R174-K178 WeakPolarHBondContact O-CB 3.31Å |
| 175 | E | 94.4 | Very high | 96 | Very high | 62 Ų | 62 | 29.1 Ų | 29.1 | 29% | 0.29 | 13% | 0.132 | S | C | . | . | I | π-helix | trans | -77.3 | -19.9 | -174.7 | -59.9 | -47.1 | 137.1 | 0 | 0 | 113.7 | V136 G171 W172 R179 | V136-E175 HydrophobicContact CG2-CG 4.25Å; G171-E175 WeakPolarHBondContact O-CB 3.45Å; G171-E175 WeakPolarHBondContact O-CG 3.42Å; G171-E175 PolarHBondContact O-N 3.48Å; W172-E175 PolarHBondContact O-N 3.2Å; E175-R179 VanDerWaalsContact O-CD 3.28Å; E175-R179 WeakPolarHBondContact O-CD 3.48Å; E175-R179 PolarHBondContact O-NH1 3.48Å |
| 176 | V | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -113.4 | -61.8 | 176.7 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | I130 A134 W172 K178 R179 M180 A508 | I130-V176 HydrophobicContact CG2-CB 4.4Å; I130-V176 HydrophobicContact CG2-CG1 4.07Å; I130-V176 HydrophobicContact CG2-CG2 4.28Å; A134-V176 HydrophobicContact CB-CG2 3.42Å; A134-V176 VanDerWaalsContact CB-CG2 3.42Å; W172-V176 HydrophobicContact CD2-CB 4.39Å; W172-V176 HydrophobicContact CD2-CG2 3.81Å; W172-V176 HydrophobicContact CE3-CG2 3.73Å; W172-V176 HydrophobicContact CH2-CG2 3.57Å; W172-V176 HydrophobicContact CZ2-CB 4.35Å; W172-V176 HydrophobicContact CZ2-CG1 4.38Å; W172-V176 HydrophobicContact CZ2-CG2 3.64Å; W172-V176 HydrophobicContact CZ3-CG2 3.61Å; W172-V176 WeakPolarHBondContact O-CA 3.49Å; W172-V176 VanDerWaalsContact O-CB 3.24Å; W172-V176 WeakPolarHBondContact O-CB 3.12Å; W172-V176 PolarHBondContact O-N 3.11Å; V176-K178 VanDerWaalsContact C-N 3.31Å; V176-K178 PolarHBondContact O-N 3.24Å; V176-R179 PolarHBondContact O-N 3.4Å; V176-M180 HydrophobicContact CG1-CE 3.7Å; V176-M180 HydrophobicContact CG1-CG 3.73Å; V176-M180 VanDerWaalsContact O-CG 3.25Å; V176-M180 WeakPolarHBondContact O-CG 3.17Å; V176-M180 PolarHBondContact O-N 3.32Å; V176-A508 HydrophobicContact CB-CB 4.5Å; V176-A508 HydrophobicContact CG1-CB 4.13Å |
| 177 | G | 95.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -54.1 | -41.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | R173 M180 R181 C504 | R173-G177 CarbonylContact O-C 3.56Å; R173-G177 WeakPolarHBondContact O-CA 3.28Å; R173-G177 PolarHBondContact O-N 3.43Å; G177-M180 PolarHBondContact O-N 2.99Å; G177-R181 PolarHBondContact O-N 2.93Å; G177-R181 VanDerWaalsContact O-N 3.14Å; G177-C504 VanDerWaalsContact CA-O 3.25Å; G177-C504 WeakPolarHBondContact CA-O 3.35Å; G177-C504 VanDerWaalsContact O-CB 3.31Å; G177-C504 WeakPolarHBondContact O-CB 3.41Å; G177-C504 PolarHBondContact O-N 3.34Å; G177-C504 VanDerWaalsContact O-N 3.16Å |
| 178 | K | 95.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 29.9 Ų | 29.9 | 31% | 0.309 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 176.7 | -61.6 | -164 | 177.9 | -150.9 | 0 | 113.6 | R173 R174 V176 M180 R181 T502 Y503 | R173-K178 PolarHBondContact O-N 3.33Å; R174-K178 HydrophobicContact CG-CD 4.17Å; R174-K178 WeakPolarHBondContact O-CB 3.31Å; V176-K178 VanDerWaalsContact C-N 3.31Å; V176-K178 PolarHBondContact O-N 3.24Å; K178-M180 VanDerWaalsContact C-N 3.34Å; K178-R181 WeakPolarHBondContact O-CB 3.13Å; K178-R181 PolarHBondContact O-N 3.43Å; K178-T502 WeakPolarHBondContact CA-O 3.47Å; K178-T502 WeakPolarHBondContact CE-OG1 3.25Å; K178-T502 WeakPolarHBondContact CG-O 3.45Å; K178-T502 PolarHBondContact NZ-OG1 2.84Å; K178-Y503 WeakPolarHBondContact CE-OH 3.25Å; K178-Y503 HydrophobicContact CG-CD1 4.11Å; K178-Y503 HydrophobicContact CG-CE1 4.3Å; K178-Y503 HydrophobicContact CG-CG 4.29Å |
| 179 | R | 97.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 33.5 Ų | 33.5 | 46% | 0.46 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72.6 | -30.9 | 177.1 | -73.2 | 169.8 | 60.1 | -158.9 | 7.9 | 111.8 | I130 E175 V176 R181 | I130-R179 HydrophobicContact CD1-CB 4.13Å; I130-R179 HydrophobicContact CG2-CB 4.39Å; E175-R179 VanDerWaalsContact O-CD 3.28Å; E175-R179 WeakPolarHBondContact O-CD 3.48Å; E175-R179 PolarHBondContact O-NH1 3.48Å; V176-R179 PolarHBondContact O-N 3.4Å; R179-R181 VanDerWaalsContact C-N 3.33Å |
| 180 | M | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.8 | -27.5 | 175 | -68.3 | -65.3 | -165.6 | 0 | 0 | 112.8 | M127 I130 V176 G177 K178 L183 Y184 P507 | M127-M180 HydrophobicContact CB-CE 4.23Å; M127-M180 HydrophobicContact CB-SD 3.77Å; M127-M180 HydrophobicContact CG-SD 3.68Å; M127-M180 WeakPolarHBondContact O-CE 3.26Å; M127-M180 HydrophobicContact SD-SD 4.39Å; I130-M180 HydrophobicContact CB-CE 3.92Å; I130-M180 HydrophobicContact CB-SD 4.41Å; I130-M180 HydrophobicContact CD1-SD 4.42Å; I130-M180 HydrophobicContact CG2-CE 3.9Å; I130-M180 HydrophobicContact CG2-SD 4.38Å; V176-M180 HydrophobicContact CG1-CE 3.7Å; V176-M180 HydrophobicContact CG1-CG 3.73Å; V176-M180 VanDerWaalsContact O-CG 3.25Å; V176-M180 WeakPolarHBondContact O-CG 3.17Å; V176-M180 PolarHBondContact O-N 3.32Å; G177-M180 PolarHBondContact O-N 2.99Å; K178-M180 VanDerWaalsContact C-N 3.34Å; M180-L183 PolarHBondContact O-N 3.12Å; M180-Y184 WeakPolarHBondContact O-CB 3.3Å; M180-Y184 PolarHBondContact O-N 3.14Å; M180-P507 HydrophobicContact CB-CB 3.94Å; M180-P507 HydrophobicContact CB-CG 3.63Å; M180-P507 HydrophobicContact CG-CB 4.16Å; M180-P507 HydrophobicContact CG-CG 4.3Å |
| 181 | R | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -50.7 | -59.3 | -173 | -179.4 | 56 | -177.9 | -117.3 | 0.6 | 114.5 | G177 K178 R179 L183 Y184 E185 K476 E501 Y503 C504 | G177-R181 PolarHBondContact O-N 2.93Å; G177-R181 VanDerWaalsContact O-N 3.14Å; K178-R181 WeakPolarHBondContact O-CB 3.13Å; K178-R181 PolarHBondContact O-N 3.43Å; R179-R181 VanDerWaalsContact C-N 3.33Å; R181-L183 VanDerWaalsContact C-N 3.33Å; R181-L183 PolarHBondContact O-N 3.16Å; R181-Y184 PolarHBondContact O-N 3.08Å; R181-E185 IonicContact CZ-OE1 3.53Å; R181-E185 IonicContact NE-OE1 3.56Å; R181-E185 PolarHBondContact NE-OE1 3.25Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 WeakPolarHBondContact O-CG 3.2Å; R181-E185 PolarHBondContact O-N 2.84Å; R181-K476 PolarHBondContact NH2-O 3.13Å; R181-E501 IonicContact CZ-OE2 2.94Å; R181-E501 PolarHBondContact NH1-O 3.33Å; R181-E501 IonicContact NH1-OE2 3.09Å; R181-E501 PolarHBondContact NH1-OE2 2.87Å; R181-E501 IonicContact NH2-OE2 2.67Å; R181-E501 PolarHBondContact NH2-OE2 3.39Å; R181-Y503 PolarHBondContact NH1-O 3.33Å; R181-C504 HydrophobicContact CB-CB 3.83Å; R181-C504 HydrophobicContact CG-CB 4.39Å |
| 182 | P | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 34.4 Ų | 34.4 | 49% | 0.494 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.1 | -34.1 | 179.7 | 26 | -35.1 | 0 | 0 | 0 | 112.9 | E185 D186 | P182-E185 PolarHBondContact O-N 2.98Å; P182-D186 PolarHBondContact O-N 3.39Å |
| 183 | L | 98.5 | Very high | 97.3 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.5 | -62.9 | 177.4 | 0 | 0 | 0 | 111.7 | V123 E126 M127 I130 M180 R181 E185 D186 Y187 | V123-L183 HydrophobicContact CG1-CB 4.16Å; V123-L183 WeakPolarHBondContact CG1-O 3.26Å; V123-L183 HydrophobicContact CG2-CD2 4.46Å; E126-L183 HydrophobicContact CB-CD1 3.92Å; E126-L183 HydrophobicContact CB-CD2 4.43Å; E126-L183 WeakPolarHBondContact OE2-CD2 3.18Å; M127-L183 HydrophobicContact CG-CB 3.75Å; M127-L183 HydrophobicContact CG-CD1 3.9Å; M127-L183 HydrophobicContact CG-CG 4.48Å; M127-L183 HydrophobicContact SD-CB 4.2Å; I130-L183 HydrophobicContact CD1-CD1 3.48Å; I130-L183 VanDerWaalsContact CD1-CD1 3.48Å; M180-L183 PolarHBondContact O-N 3.12Å; R181-L183 VanDerWaalsContact C-N 3.33Å; R181-L183 PolarHBondContact O-N 3.16Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-D186 PolarHBondContact O-N 3.38Å; L183-Y187 WeakPolarHBondContact O-CB 3.31Å; L183-Y187 PolarHBondContact O-N 3Å |
| 184 | Y | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.4 | -31.7 | -179.6 | -157.6 | -101.1 | 0 | 0 | 0 | 111.7 | M127 M180 R181 Y187 V188 W465 W479 P507 V512 | M127-Y184 HydrophobicContact SD-CD2 4Å; M180-Y184 WeakPolarHBondContact O-CB 3.3Å; M180-Y184 PolarHBondContact O-N 3.14Å; R181-Y184 PolarHBondContact O-N 3.08Å; Y184-Y187 AromaticContact CD2-CD1 3.8Å; Y184-Y187 HydrophobicContact CD2-CD1 3.8Å; Y184-Y187 HydrophobicContact CD2-CE1 4.25Å; Y184-Y187 HydrophobicContact CD2-CG 4.49Å; Y184-Y187 AromaticContact CE2-CD1 3.61Å; Y184-Y187 HydrophobicContact CE2-CD1 3.61Å; Y184-Y187 AromaticContact CE2-CE1 3.58Å; Y184-Y187 HydrophobicContact CE2-CE1 3.58Å; Y184-Y187 HydrophobicContact CG-CD1 4.34Å; Y184-Y187 AromaticContact CZ-CE1 3.8Å; Y184-Y187 PolarHBondContact O-N 3.07Å; Y184-V188 HydrophobicContact CD1-CG2 3.97Å; Y184-V188 HydrophobicContact CE1-CG2 3.78Å; Y184-V188 VanDerWaalsContact O-CG2 3.29Å; Y184-V188 WeakPolarHBondContact O-CG2 3.46Å; Y184-V188 PolarHBondContact O-N 2.98Å; Y184-W465 HydrophobicContact CE1-CH2 4.23Å; Y184-W465 HydrophobicContact CE1-CZ3 4.15Å; Y184-W479 AromaticContact CD1-CH2 3.87Å; Y184-W479 HydrophobicContact CD1-CH2 3.87Å; Y184-W479 AromaticContact CD1-CZ3 3.75Å; Y184-W479 HydrophobicContact CD1-CZ3 3.75Å; Y184-P507 HydrophobicContact CD2-CB 3.83Å; Y184-P507 HydrophobicContact CD2-CG 4.22Å; Y184-P507 HydrophobicContact CE2-CB 4.28Å; Y184-P507 HydrophobicContact CG-CB 4.25Å; Y184-P507 HydrophobicContact CG-CG 4.14Å; Y184-V512 HydrophobicContact CD2-CG1 4.5Å; Y184-V512 HydrophobicContact CE2-CG1 3.57Å; Y184-V512 WeakPolarHBondContact OH-CG1 3.32Å |
| 185 | E | 98.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 23% | 0.229 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -47 | 170.4 | -73 | -177.6 | -169.8 | 0 | 0 | 112.3 | R181 P182 L183 D189 K476 W479 | R181-E185 IonicContact CZ-OE1 3.53Å; R181-E185 IonicContact NE-OE1 3.56Å; R181-E185 PolarHBondContact NE-OE1 3.25Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 WeakPolarHBondContact O-CG 3.2Å; R181-E185 PolarHBondContact O-N 2.84Å; P182-E185 PolarHBondContact O-N 2.98Å; L183-E185 VanDerWaalsContact C-N 3.34Å; E185-D189 PolarHBondContact O-N 2.99Å; E185-K476 HydrophobicContact CB-CD 4.25Å; E185-K476 HydrophobicContact CG-CD 3.88Å; E185-K476 HydrophobicContact CG-CG 4.36Å; E185-W479 HydrophobicContact CB-CH2 4.26Å; E185-W479 HydrophobicContact CB-CZ3 4.48Å; E185-W479 HydrophobicContact CG-CE3 4.32Å; E185-W479 HydrophobicContact CG-CH2 3.61Å; E185-W479 HydrophobicContact CG-CZ2 4.43Å; E185-W479 HydrophobicContact CG-CZ3 3.52Å |
| 186 | D | 98.3 | Very high | 97.5 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 175 | -81.9 | 2.4 | 0 | 0 | 0 | 111.7 | H119 V123 P182 L183 V188 D189 L190 | H119-D186 IonicContact CE1-OD2 2.88Å; H119-D186 PolarHBondContact CE1-OD2 3.22Å; H119-D186 IonicContact NE2-OD2 3.58Å; H119-D186 PolarHBondContact NE2-OD2 3.48Å; V123-D186 HydrophobicContact CG2-CB 4.13Å; P182-D186 PolarHBondContact O-N 3.39Å; L183-D186 PolarHBondContact O-N 3.38Å; D186-V188 PolarHBondContact O-N 3.13Å; D186-D189 PolarHBondContact O-N 3.21Å; D186-L190 WeakPolarHBondContact O-CB 3.31Å; D186-L190 WeakPolarHBondContact O-CD1 3.43Å; D186-L190 VanDerWaalsContact O-CG 3.22Å; D186-L190 WeakPolarHBondContact O-CG 3.46Å; D186-L190 PolarHBondContact O-N 2.75Å |
| 187 | Y | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 177.5 | 159.4 | -91.7 | 0 | 0 | 0 | 111.8 | L120 M124 M127 L183 Y184 D189 L190 K191 Y203 F470 D515 | L120-Y187 HydrophobicContact CD1-CD2 4.13Å; M124-Y187 HydrophobicContact CG-CD2 4.45Å; M127-Y187 HydrophobicContact CE-CD2 3.95Å; M127-Y187 HydrophobicContact CE-CG 4.05Å; L183-Y187 WeakPolarHBondContact O-CB 3.31Å; L183-Y187 PolarHBondContact O-N 3Å; Y184-Y187 AromaticContact CD2-CD1 3.8Å; Y184-Y187 HydrophobicContact CD2-CD1 3.8Å; Y184-Y187 HydrophobicContact CD2-CE1 4.25Å; Y184-Y187 HydrophobicContact CD2-CG 4.49Å; Y184-Y187 AromaticContact CE2-CD1 3.61Å; Y184-Y187 HydrophobicContact CE2-CD1 3.61Å; Y184-Y187 AromaticContact CE2-CE1 3.58Å; Y184-Y187 HydrophobicContact CE2-CE1 3.58Å; Y184-Y187 HydrophobicContact CG-CD1 4.34Å; Y184-Y187 AromaticContact CZ-CE1 3.8Å; Y184-Y187 PolarHBondContact O-N 3.07Å; Y187-D189 VanDerWaalsContact C-N 3.34Å; Y187-D189 PolarHBondContact O-N 3.44Å; Y187-L190 PolarHBondContact O-N 3.1Å; Y187-K191 HydrophobicContact CD2-CG 3.79Å; Y187-K191 HydrophobicContact CE2-CD 4.24Å; Y187-K191 HydrophobicContact CE2-CG 3.56Å; Y187-K191 HydrophobicContact CG-CG 4.39Å; Y187-K191 VanDerWaalsContact O-CB 3.25Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 VanDerWaalsContact O-CG 3.3Å; Y187-K191 WeakPolarHBondContact O-CG 3.38Å; Y187-K191 PolarHBondContact O-N 3.37Å; Y187-Y203 WeakPolarHBondContact OH-CE1 3.38Å; Y187-F470 HydrophobicContact CE1-CE1 4.07Å; Y187-F470 HydrophobicContact CE1-CZ 4.1Å; Y187-D515 HydrophobicContact CE2-CB 4.02Å; Y187-D515 VanDerWaalsContact CE2-OD1 3.3Å; Y187-D515 WeakPolarHBondContact CE2-OD1 3.41Å; Y187-D515 VanDerWaalsContact CZ-OD1 3.28Å; Y187-D515 PolarHBondContact OH-OD1 3.03Å |
| 188 | V | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 178.7 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | Y184 D186 N192 V469 F470 W479 | Y184-V188 HydrophobicContact CD1-CG2 3.97Å; Y184-V188 HydrophobicContact CE1-CG2 3.78Å; Y184-V188 VanDerWaalsContact O-CG2 3.29Å; Y184-V188 WeakPolarHBondContact O-CG2 3.46Å; Y184-V188 PolarHBondContact O-N 2.98Å; D186-V188 PolarHBondContact O-N 3.13Å; V188-N192 VanDerWaalsContact O-CB 3.25Å; V188-N192 WeakPolarHBondContact O-CB 3.37Å; V188-N192 PolarHBondContact O-N 3.06Å; V188-V469 HydrophobicContact CG1-CG1 4.11Å; V188-V469 HydrophobicContact CG2-CG1 3.94Å; V188-F470 HydrophobicContact CB-CE1 4.47Å; V188-F470 HydrophobicContact CG1-CD1 4.12Å; V188-F470 HydrophobicContact CG1-CE1 4.47Å; V188-F470 HydrophobicContact CG2-CD1 4.29Å; V188-F470 HydrophobicContact CG2-CE1 3.87Å; V188-W479 HydrophobicContact CB-CH2 4.38Å; V188-W479 HydrophobicContact CB-CZ2 4.45Å; V188-W479 HydrophobicContact CG1-CZ2 4.5Å; V188-W479 HydrophobicContact CG2-CH2 3.9Å; V188-W479 HydrophobicContact CG2-CZ2 4.1Å |
| 189 | D | 98.4 | Very high | 97.1 | Very high | 78 Ų | 78 | 41.7 Ų | 41.7 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.5 | -48.2 | -178.8 | -69.5 | -11.5 | 0 | 0 | 0 | 111.4 | E185 D186 Y187 N192 E193 K476 | E185-D189 PolarHBondContact O-N 2.99Å; D186-D189 PolarHBondContact O-N 3.21Å; Y187-D189 VanDerWaalsContact C-N 3.34Å; Y187-D189 PolarHBondContact O-N 3.44Å; D189-N192 PolarHBondContact O-N 3.15Å; D189-E193 PolarHBondContact O-N 3.26Å; D189-K476 WeakPolarHBondContact OD1-CE 3.44Å; D189-K476 IonicContact OD1-NZ 2.84Å; D189-K476 PolarHBondContact OD1-NZ 3.43Å; D189-K476 VanDerWaalsContact OD1-NZ 3.13Å; D189-K476 IonicContact OD2-NZ 3.13Å; D189-K476 PolarHBondContact OD2-NZ 3.26Å |
| 190 | L | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | -179.3 | -67.3 | 164.7 | 0 | 0 | 0 | 112.4 | K116 L120 D186 Y187 E193 A194 | K116-L190 HydrophobicContact CB-CD2 4.02Å; K116-L190 HydrophobicContact CD-CD2 4.43Å; K116-L190 HydrophobicContact CG-CD2 4.24Å; L120-L190 HydrophobicContact CB-CB 4.38Å; L120-L190 HydrophobicContact CB-CD1 3.86Å; L120-L190 HydrophobicContact CD1-CB 4.11Å; L120-L190 HydrophobicContact CD1-CD1 4.2Å; D186-L190 WeakPolarHBondContact O-CB 3.31Å; D186-L190 WeakPolarHBondContact O-CD1 3.43Å; D186-L190 VanDerWaalsContact O-CG 3.22Å; D186-L190 WeakPolarHBondContact O-CG 3.46Å; D186-L190 PolarHBondContact O-N 2.75Å; Y187-L190 PolarHBondContact O-N 3.1Å; L190-E193 PolarHBondContact O-N 3.31Å; L190-A194 PolarHBondContact O-N 3.15Å |
| 191 | K | 97.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 177.9 | -75.9 | -65.3 | -163.3 | 159.9 | 0 | 112.2 | L120 Y187 E193 A194 A195 Y203 D515 | L120-K191 HydrophobicContact CD1-CG 4.34Å; L120-K191 HydrophobicContact CD2-CD 4.12Å; Y187-K191 HydrophobicContact CD2-CG 3.79Å; Y187-K191 HydrophobicContact CE2-CD 4.24Å; Y187-K191 HydrophobicContact CE2-CG 3.56Å; Y187-K191 HydrophobicContact CG-CG 4.39Å; Y187-K191 VanDerWaalsContact O-CB 3.25Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 VanDerWaalsContact O-CG 3.3Å; Y187-K191 WeakPolarHBondContact O-CG 3.38Å; Y187-K191 PolarHBondContact O-N 3.37Å; K191-E193 VanDerWaalsContact C-N 3.34Å; K191-A194 PolarHBondContact O-N 3.42Å; K191-A195 WeakPolarHBondContact O-CB 3.27Å; K191-A195 PolarHBondContact O-N 3.38Å; K191-Y203 HydrophobicContact CB-CD1 3.61Å; K191-Y203 HydrophobicContact CB-CD2 4.13Å; K191-Y203 HydrophobicContact CB-CE1 3.97Å; K191-Y203 HydrophobicContact CB-CG 3.7Å; K191-Y203 HydrophobicContact CD-CD1 4.31Å; K191-Y203 HydrophobicContact CD-CD2 4.38Å; K191-Y203 HydrophobicContact CD-CE1 3.8Å; K191-Y203 HydrophobicContact CD-CE2 3.94Å; K191-Y203 HydrophobicContact CG-CD1 4.01Å; K191-Y203 HydrophobicContact CG-CE1 3.84Å; K191-Y203 HydrophobicContact CG-CG 4.45Å; K191-Y203 PolarHBondContact NZ-OH 3.24Å; K191-D515 WeakPolarHBondContact CE-OD2 2.85Å; K191-D515 IonicContact NZ-OD1 2.76Å; K191-D515 IonicContact NZ-OD2 3.18Å; K191-D515 PolarHBondContact NZ-OD2 2.93Å |
| 192 | N | 98.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 173 | -86.7 | -18.1 | 0 | 0 | 0 | 112.1 | V188 D189 A195 K196 Y203 F470 | V188-N192 VanDerWaalsContact O-CB 3.25Å; V188-N192 WeakPolarHBondContact O-CB 3.37Å; V188-N192 PolarHBondContact O-N 3.06Å; D189-N192 PolarHBondContact O-N 3.15Å; N192-A195 PolarHBondContact O-N 3.02Å; N192-K196 WeakPolarHBondContact O-CB 3.33Å; N192-K196 VanDerWaalsContact O-CG 3.29Å; N192-K196 WeakPolarHBondContact O-CG 3.47Å; N192-K196 PolarHBondContact O-N 3.43Å; N192-Y203 WeakPolarHBondContact OD1-CB 3.49Å; N192-Y203 PolarHBondContact OD1-N 2.87Å; N192-F470 PolarHBondContact ND2-O 2.77Å; N192-F470 PolarHBondContact OD1-O 2.89Å |
| 193 | E | 98.2 | Very high | 97.1 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 173.5 | -175.8 | 175.7 | 162.8 | 0 | 0 | 111.3 | L112 K116 D189 L190 K191 A195 K196 L197 | L112-E193 HydrophobicContact CD2-CB 4.08Å; L112-E193 HydrophobicContact CD2-CG 3.91Å; K116-E193 WeakPolarHBondContact CD-OE1 3.14Å; K116-E193 IonicContact NZ-OE1 3.72Å; K116-E193 PolarHBondContact NZ-OE1 2.84Å; K116-E193 IonicContact NZ-OE2 3.85Å; K116-E193 PolarHBondContact NZ-OE2 2.88Å; D189-E193 PolarHBondContact O-N 3.26Å; L190-E193 PolarHBondContact O-N 3.31Å; K191-E193 VanDerWaalsContact C-N 3.34Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 2.8Å; E193-K196 PolarHBondContact O-N 2.87Å; E193-L197 HydrophobicContact CG-CD1 4.07Å; E193-L197 WeakPolarHBondContact O-CG 3.32Å; E193-L197 PolarHBondContact O-N 3.36Å |
| 194 | A | 95.9 | Very high | 97 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L112 L190 K191 K196 L197 N198 | L112-A194 HydrophobicContact CD1-CB 4.18Å; L112-A194 HydrophobicContact CD2-CB 4.1Å; L112-A194 HydrophobicContact CG-CB 3.89Å; L190-A194 PolarHBondContact O-N 3.15Å; K191-A194 PolarHBondContact O-N 3.42Å; A194-K196 PolarHBondContact O-N 3.04Å; A194-L197 PolarHBondContact O-N 3.46Å; A194-N198 PolarHBondContact O-N 3.05Å; A194-N198 VanDerWaalsContact O-N 3.12Å; A194-N198 PolarHBondContact O-ND2 2.65Å |
| 195 | A | 96.4 | Very high | 97 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K191 N192 E193 L197 N198 G199 F200 Y203 | K191-A195 WeakPolarHBondContact O-CB 3.27Å; K191-A195 PolarHBondContact O-N 3.38Å; N192-A195 PolarHBondContact O-N 3.02Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 2.8Å; A195-L197 PolarHBondContact O-N 3.22Å; A195-N198 CarbonylContact O-C 3.56Å; A195-N198 WeakPolarHBondContact O-CA 3.44Å; A195-N198 PolarHBondContact O-N 3.21Å; A195-N198 VanDerWaalsContact O-N 3.09Å; A195-G199 PolarHBondContact O-N 3.02Å; A195-F200 HydrophobicContact CB-CB 4.14Å; A195-F200 WeakPolarHBondContact O-CB 3.38Å; A195-F200 PolarHBondContact O-N 2.97Å; A195-Y203 HydrophobicContact CB-CD2 4.31Å |
| 196 | K | 96.9 | Very high | 96.9 | Very high | 129 Ų | 129 | 39.7 Ų | 39.7 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.5 | -39.3 | 177.6 | -72.6 | 170.8 | -175.3 | 175.4 | 0 | 112.9 | N192 E193 A194 N198 G199 F200 Q201 | N192-K196 WeakPolarHBondContact O-CB 3.33Å; N192-K196 VanDerWaalsContact O-CG 3.29Å; N192-K196 WeakPolarHBondContact O-CG 3.47Å; N192-K196 PolarHBondContact O-N 3.43Å; E193-K196 PolarHBondContact O-N 2.87Å; A194-K196 PolarHBondContact O-N 3.04Å; K196-N198 PolarHBondContact O-N 2.94Å; K196-G199 PolarHBondContact O-N 2.78Å; K196-F200 WeakPolarHBondContact CA-O 3.45Å; K196-Q201 WeakPolarHBondContact CE-O 3.44Å |
| 197 | L | 94.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 52% | 0.524 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.9 | -26.5 | 174.8 | -68.9 | 169.5 | 0 | 0 | 0 | 112.6 | A111 L112 E193 A194 A195 G199 | A111-L197 HydrophobicContact CB-CB 3.77Å; A111-L197 HydrophobicContact CB-CD1 4.39Å; A111-L197 WeakPolarHBondContact O-CD1 3.44Å; L112-L197 HydrophobicContact CD2-CD1 4.29Å; E193-L197 HydrophobicContact CG-CD1 4.07Å; E193-L197 WeakPolarHBondContact O-CG 3.32Å; E193-L197 PolarHBondContact O-N 3.36Å; A194-L197 PolarHBondContact O-N 3.46Å; A195-L197 PolarHBondContact O-N 3.22Å; L197-G199 VanDerWaalsContact C-N 3.32Å |
| 198 | N | 90.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 8.3 | 171.9 | -70.2 | -71.5 | 0 | 0 | 0 | 113.5 | K107 G108 A111 A194 A195 K196 F200 | K107-N198 WeakPolarHBondContact CB-OD1 3.5Å; K107-N198 PolarHBondContact N-OD1 2.93Å; G108-N198 PolarHBondContact O-ND2 2.86Å; A111-N198 WeakPolarHBondContact CB-ND2 3.18Å; A194-N198 PolarHBondContact O-N 3.05Å; A194-N198 VanDerWaalsContact O-N 3.12Å; A194-N198 PolarHBondContact O-ND2 2.65Å; A195-N198 CarbonylContact O-C 3.56Å; A195-N198 WeakPolarHBondContact O-CA 3.44Å; A195-N198 PolarHBondContact O-N 3.21Å; A195-N198 VanDerWaalsContact O-N 3.09Å; K196-N198 PolarHBondContact O-N 2.94Å; N198-F200 HydrophobicContact CB-CD2 3.74Å; N198-F200 HydrophobicContact CB-CE2 3.94Å; N198-F200 WeakPolarHBondContact O-CD2 3.41Å; N198-F200 WeakPolarHBondContact O-CE2 3.39Å |
| 199 | G | 93.1 | Very high | 96.6 | Very high | 68 Ų | 68 | 40.9 Ų | 40.9 | 70% | 0.701 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 12.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A195 K196 L197 | A195-G199 PolarHBondContact O-N 3.02Å; K196-G199 PolarHBondContact O-N 2.78Å; L197-G199 VanDerWaalsContact C-N 3.32Å |
| 200 | F | 96.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 11% | 0.114 | 20% | 0.2 | C | C | . | . | trans | -90.9 | 155.9 | 174 | -62.9 | -92.6 | 0 | 0 | 0 | 111.3 | A195 K196 N198 Y206 Y209 R224 | A195-F200 HydrophobicContact CB-CB 4.14Å; A195-F200 WeakPolarHBondContact O-CB 3.38Å; A195-F200 PolarHBondContact O-N 2.97Å; K196-F200 WeakPolarHBondContact CA-O 3.45Å; N198-F200 HydrophobicContact CB-CD2 3.74Å; N198-F200 HydrophobicContact CB-CE2 3.94Å; N198-F200 WeakPolarHBondContact O-CD2 3.41Å; N198-F200 WeakPolarHBondContact O-CE2 3.39Å; F200-Y206 HydrophobicContact CD1-CD2 4.48Å; F200-Y206 AromaticContact CD2-CD2 3.74Å; F200-Y206 HydrophobicContact CD2-CD2 3.74Å; F200-Y206 HydrophobicContact CE1-CD2 4.42Å; F200-Y206 AromaticContact CE2-CD2 3.6Å; F200-Y206 HydrophobicContact CE2-CD2 3.6Å; F200-Y206 HydrophobicContact CE2-CE2 4.15Å; F200-Y206 HydrophobicContact CG-CD2 4.2Å; F200-Y206 AromaticContact CZ-CD2 3.98Å; F200-Y206 HydrophobicContact CZ-CD2 3.98Å; F200-Y209 HydrophobicContact CE1-CD1 4.29Å; F200-Y209 HydrophobicContact CE1-CD2 4.01Å; F200-Y209 AromaticContact CE1-CG 3.73Å; F200-Y209 HydrophobicContact CE1-CG 3.73Å; F200-Y209 HydrophobicContact CZ-CD1 4.01Å; F200-Y209 HydrophobicContact CZ-CD2 4.32Å; F200-Y209 AromaticContact CZ-CG 3.91Å; F200-Y209 HydrophobicContact CZ-CG 3.91Å; F200-R224 VanDerWaalsContact CE1-NH1 3.28Å | ||
| 201 | Q | 97.2 | Very high | 96.4 | Very high | 137 Ų | 137 | 38.2 Ų | 38.2 | 64% | 0.64 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -68.3 | -43.2 | 178.7 | -66.4 | 176.3 | -2.4 | 0 | 0 | 111.8 | K196 A205 | K196-Q201 WeakPolarHBondContact CE-O 3.44Å; Q201-A205 HydrophobicContact CB-CB 4.31Å |
| 202 | D | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -158 | 176.1 | -178.9 | 56.7 | 61.1 | 0 | 0 | 0 | 109.5 | G204 A205 Y206 F470 | D202-G204 VanDerWaalsContact C-N 3.29Å; D202-G204 PolarHBondContact O-N 3.4Å; D202-G204 VanDerWaalsContact OD1-CA 3.24Å; D202-G204 WeakPolarHBondContact OD1-CA 3.24Å; D202-G204 PolarHBondContact OD1-N 3.27Å; D202-A205 PolarHBondContact O-N 3.34Å; D202-A205 PolarHBondContact OD1-N 2.85Å; D202-Y206 PolarHBondContact O-N 3.02Å; D202-F470 HydrophobicContact CB-CB 4.21Å; D202-F470 WeakPolarHBondContact CB-O 3.25Å |
| 203 | Y | 98.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.8 | -25.1 | -178.9 | -167.2 | -133.1 | 0 | 0 | 0 | 113.7 | Y187 K191 N192 A195 Y206 W207 F470 D515 | Y187-Y203 WeakPolarHBondContact OH-CE1 3.38Å; K191-Y203 HydrophobicContact CB-CD1 3.61Å; K191-Y203 HydrophobicContact CB-CD2 4.13Å; K191-Y203 HydrophobicContact CB-CE1 3.97Å; K191-Y203 HydrophobicContact CB-CG 3.7Å; K191-Y203 HydrophobicContact CD-CD1 4.31Å; K191-Y203 HydrophobicContact CD-CD2 4.38Å; K191-Y203 HydrophobicContact CD-CE1 3.8Å; K191-Y203 HydrophobicContact CD-CE2 3.94Å; K191-Y203 HydrophobicContact CG-CD1 4.01Å; K191-Y203 HydrophobicContact CG-CE1 3.84Å; K191-Y203 HydrophobicContact CG-CG 4.45Å; K191-Y203 PolarHBondContact NZ-OH 3.24Å; N192-Y203 WeakPolarHBondContact OD1-CB 3.49Å; N192-Y203 PolarHBondContact OD1-N 2.87Å; A195-Y203 HydrophobicContact CB-CD2 4.31Å; Y203-Y206 AromaticContact CD2-CD1 3.82Å; Y203-Y206 HydrophobicContact CD2-CD1 3.82Å; Y203-Y206 HydrophobicContact CD2-CG 4.17Å; Y203-Y206 AromaticContact CE2-CD1 3.39Å; Y203-Y206 HydrophobicContact CE2-CD1 3.39Å; Y203-Y206 AromaticContact CE2-CE1 3.97Å; Y203-Y206 HydrophobicContact CE2-CE1 3.97Å; Y203-Y206 HydrophobicContact CE2-CG 4.17Å; Y203-Y206 WeakPolarHBondContact O-CB 3.37Å; Y203-Y206 PolarHBondContact O-N 3.49Å; Y203-W207 HydrophobicContact CD1-CH2 4.1Å; Y203-W207 AromaticContact CD1-CZ2 3.83Å; Y203-W207 HydrophobicContact CD1-CZ2 3.83Å; Y203-W207 HydrophobicContact CE1-CD2 4.43Å; Y203-W207 AromaticContact CE1-CE2 3.47Å; Y203-W207 VanDerWaalsContact CE1-CE2 3.47Å; Y203-W207 AromaticContact CE1-CH2 3.82Å; Y203-W207 HydrophobicContact CE1-CH2 3.82Å; Y203-W207 AromaticContact CE1-CZ2 3.14Å; Y203-W207 HydrophobicContact CE1-CZ2 3.14Å; Y203-W207 AromaticContact CE1-NE1 3.7Å; Y203-W207 AromaticContact CE2-NE1 3.96Å; Y203-W207 AromaticContact CZ-CE2 3.63Å; Y203-W207 AromaticContact CZ-CZ2 3.72Å; Y203-W207 AromaticContact CZ-NE1 3.32Å; Y203-W207 VanDerWaalsContact CZ-NE1 3.32Å; Y203-W207 PolarHBondContact O-N 3.35Å; Y203-W207 VanDerWaalsContact O-N 3.13Å; Y203-W207 PolarHBondContact OH-NE1 3.4Å; Y203-W207 VanDerWaalsContact OH-NE1 3.16Å; Y203-F470 HydrophobicContact CD1-CD1 4.3Å; Y203-F470 AromaticContact CD1-CE1 3.8Å; Y203-F470 HydrophobicContact CD1-CE1 3.8Å; Y203-F470 HydrophobicContact CD1-CE2 4.15Å; Y203-F470 AromaticContact CD1-CZ 3.73Å; Y203-F470 HydrophobicContact CD1-CZ 3.73Å; Y203-F470 HydrophobicContact CE1-CZ 4.48Å; Y203-D515 WeakPolarHBondContact CE1-OD1 3.42Å; Y203-D515 PolarHBondContact OH-OD1 3.45Å; Y203-D515 VanDerWaalsContact OH-OD1 3.07Å; Y203-D515 PolarHBondContact OH-OD2 3.49Å |
| 204 | G | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D202 Y206 W207 R208 | D202-G204 VanDerWaalsContact C-N 3.29Å; D202-G204 PolarHBondContact O-N 3.4Å; D202-G204 VanDerWaalsContact OD1-CA 3.24Å; D202-G204 WeakPolarHBondContact OD1-CA 3.24Å; D202-G204 PolarHBondContact OD1-N 3.27Å; G204-Y206 PolarHBondContact O-N 3.34Å; G204-W207 PolarHBondContact O-N 2.93Å; G204-R208 WeakPolarHBondContact O-CG 3.44Å; G204-R208 PolarHBondContact O-N 3.04Å; G204-R208 PolarHBondContact O-NH1 3.23Å |
| 205 | A | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -31.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q201 D202 Y209 R224 | Q201-A205 HydrophobicContact CB-CB 4.31Å; D202-A205 PolarHBondContact O-N 3.34Å; D202-A205 PolarHBondContact OD1-N 2.85Å; A205-Y209 PolarHBondContact O-N 2.81Å; A205-R224 WeakPolarHBondContact O-CD 3.39Å |
| 206 | Y | 96.6 | Very high | 95.3 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 20% | 0.2 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 171.9 | 178.2 | -97.3 | 0 | 0 | 0 | 112 | D106 F200 D202 Y203 G204 Y209 | D106-Y206 VanDerWaalsContact OD2-CE2 3.3Å; D106-Y206 WeakPolarHBondContact OD2-CE2 3.45Å; D106-Y206 PolarHBondContact OD2-OH 2.96Å; F200-Y206 HydrophobicContact CD1-CD2 4.48Å; F200-Y206 AromaticContact CD2-CD2 3.74Å; F200-Y206 HydrophobicContact CD2-CD2 3.74Å; F200-Y206 HydrophobicContact CE1-CD2 4.42Å; F200-Y206 AromaticContact CE2-CD2 3.6Å; F200-Y206 HydrophobicContact CE2-CD2 3.6Å; F200-Y206 HydrophobicContact CE2-CE2 4.15Å; F200-Y206 HydrophobicContact CG-CD2 4.2Å; F200-Y206 AromaticContact CZ-CD2 3.98Å; F200-Y206 HydrophobicContact CZ-CD2 3.98Å; D202-Y206 PolarHBondContact O-N 3.02Å; Y203-Y206 AromaticContact CD2-CD1 3.82Å; Y203-Y206 HydrophobicContact CD2-CD1 3.82Å; Y203-Y206 HydrophobicContact CD2-CG 4.17Å; Y203-Y206 AromaticContact CE2-CD1 3.39Å; Y203-Y206 HydrophobicContact CE2-CD1 3.39Å; Y203-Y206 AromaticContact CE2-CE1 3.97Å; Y203-Y206 HydrophobicContact CE2-CE1 3.97Å; Y203-Y206 HydrophobicContact CE2-CG 4.17Å; Y203-Y206 WeakPolarHBondContact O-CB 3.37Å; Y203-Y206 PolarHBondContact O-N 3.49Å; G204-Y206 PolarHBondContact O-N 3.34Å; Y206-Y209 WeakPolarHBondContact O-CB 3.12Å; Y206-Y209 PolarHBondContact O-N 2.96Å |
| 207 | W | 96.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 175.8 | -74.1 | -22.2 | 0 | 0 | 0 | 113.6 | Y203 G204 Y209 N210 F470 | Y203-W207 HydrophobicContact CD1-CH2 4.1Å; Y203-W207 AromaticContact CD1-CZ2 3.83Å; Y203-W207 HydrophobicContact CD1-CZ2 3.83Å; Y203-W207 HydrophobicContact CE1-CD2 4.43Å; Y203-W207 AromaticContact CE1-CE2 3.47Å; Y203-W207 VanDerWaalsContact CE1-CE2 3.47Å; Y203-W207 AromaticContact CE1-CH2 3.82Å; Y203-W207 HydrophobicContact CE1-CH2 3.82Å; Y203-W207 AromaticContact CE1-CZ2 3.14Å; Y203-W207 HydrophobicContact CE1-CZ2 3.14Å; Y203-W207 AromaticContact CE1-NE1 3.7Å; Y203-W207 AromaticContact CE2-NE1 3.96Å; Y203-W207 AromaticContact CZ-CE2 3.63Å; Y203-W207 AromaticContact CZ-CZ2 3.72Å; Y203-W207 AromaticContact CZ-NE1 3.32Å; Y203-W207 VanDerWaalsContact CZ-NE1 3.32Å; Y203-W207 PolarHBondContact O-N 3.35Å; Y203-W207 VanDerWaalsContact O-N 3.13Å; Y203-W207 PolarHBondContact OH-NE1 3.4Å; Y203-W207 VanDerWaalsContact OH-NE1 3.16Å; G204-W207 PolarHBondContact O-N 2.93Å; W207-Y209 PolarHBondContact O-N 3.22Å; W207-Y209 VanDerWaalsContact O-N 3.08Å; W207-N210 WeakPolarHBondContact O-CB 3.36Å; W207-N210 PolarHBondContact O-N 3.47Å; W207-N210 VanDerWaalsContact O-N 3.12Å; W207-F470 HydrophobicContact CE3-CE2 4.23Å; W207-F470 AromaticContact CH2-CE2 3.56Å; W207-F470 HydrophobicContact CH2-CE2 3.56Å; W207-F470 AromaticContact CH2-CZ 3.71Å; W207-F470 HydrophobicContact CH2-CZ 3.71Å; W207-F470 HydrophobicContact CZ3-CD2 4.35Å; W207-F470 AromaticContact CZ3-CE2 3.4Å; W207-F470 HydrophobicContact CZ3-CE2 3.4Å; W207-F470 HydrophobicContact CZ3-CZ 4.05Å |
| 208 | R | 97.4 | Very high | 95 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.038 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -19.8 | 179.3 | -64.5 | -167.3 | -64.6 | -79.1 | 0.2 | 112.5 | G204 N210 Y211 R224 L227 M228 W467 | G204-R208 WeakPolarHBondContact O-CG 3.44Å; G204-R208 PolarHBondContact O-N 3.04Å; G204-R208 PolarHBondContact O-NH1 3.23Å; R208-N210 PolarHBondContact O-N 2.83Å; R208-N210 VanDerWaalsContact O-N 3.15Å; R208-Y211 PolarHBondContact O-N 2.69Å; R208-R224 HydrophobicContact CB-CB 4.02Å; R208-R224 HydrophobicContact CB-CG 4.05Å; R208-L227 HydrophobicContact CB-CD2 3.93Å; R208-L227 HydrophobicContact CG-CD2 3.77Å; R208-M228 VanDerWaalsContact CD-CG 3.47Å; R208-M228 VanDerWaalsContact CZ-SD 3.53Å; R208-M228 PolarHBondContact NE-SD 3.18Å; R208-M228 VanDerWaalsContact NE-SD 3.36Å; R208-W467 HydrophobicContact CG-CZ2 3.98Å; R208-W467 VanDerWaalsContact NH1-CD1 3.32Å; R208-W467 VanDerWaalsContact NH1-CG 3.31Å |
| 209 | Y | 95.5 | Very high | 95.2 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -56.2 | -26.7 | 175.1 | -175.7 | -121.9 | 0 | 0 | 0 | 113.3 | I102 F200 A205 Y206 W207 Y211 E212 | I102-Y209 WeakPolarHBondContact CG2-OH 3.32Å; F200-Y209 HydrophobicContact CE1-CD1 4.29Å; F200-Y209 HydrophobicContact CE1-CD2 4.01Å; F200-Y209 AromaticContact CE1-CG 3.73Å; F200-Y209 HydrophobicContact CE1-CG 3.73Å; F200-Y209 HydrophobicContact CZ-CD1 4.01Å; F200-Y209 HydrophobicContact CZ-CD2 4.32Å; F200-Y209 AromaticContact CZ-CG 3.91Å; F200-Y209 HydrophobicContact CZ-CG 3.91Å; A205-Y209 PolarHBondContact O-N 2.81Å; Y206-Y209 WeakPolarHBondContact O-CB 3.12Å; Y206-Y209 PolarHBondContact O-N 2.96Å; W207-Y209 PolarHBondContact O-N 3.22Å; W207-Y209 VanDerWaalsContact O-N 3.08Å; Y209-Y211 PolarHBondContact O-N 3.2Å; Y209-Y211 VanDerWaalsContact O-N 3.1Å; Y209-E212 HydrophobicContact CD2-CB 3.96Å; Y209-E212 HydrophobicContact CD2-CG 4.48Å; Y209-E212 WeakPolarHBondContact CD2-OE2 3.08Å; Y209-E212 HydrophobicContact CE2-CB 4.31Å; Y209-E212 PolarHBondContact O-N 2.67Å |
| 210 | N | 95.1 | Very high | 95.3 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -57.9 | -24.5 | 175.9 | -172.9 | -94.1 | 0 | 0 | 0 | 113.3 | W207 R208 N403 E404 | W207-N210 WeakPolarHBondContact O-CB 3.36Å; W207-N210 PolarHBondContact O-N 3.47Å; W207-N210 VanDerWaalsContact O-N 3.12Å; R208-N210 PolarHBondContact O-N 2.83Å; R208-N210 VanDerWaalsContact O-N 3.15Å; N210-N403 WeakPolarHBondContact OD1-CA 3.19Å; N210-N403 WeakPolarHBondContact OD1-CB 3.47Å; N210-E404 WeakPolarHBondContact OD1-CG 3.3Å; N210-E404 PolarHBondContact OD1-N 2.89Å |
| 211 | Y | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -99.7 | -7.7 | 178.2 | -61.2 | -97.5 | 0 | 0 | 0 | 113.4 | R208 Y209 Y222 L227 N403 E404 I519 T523 W572 | R208-Y211 PolarHBondContact O-N 2.69Å; Y209-Y211 PolarHBondContact O-N 3.2Å; Y209-Y211 VanDerWaalsContact O-N 3.1Å; Y211-Y222 VanDerWaalsContact O-CD1 3.25Å; Y211-Y222 WeakPolarHBondContact O-CD1 3.37Å; Y211-L227 HydrophobicContact CD1-CD1 3.94Å; Y211-L227 HydrophobicContact CD2-CD1 4.18Å; Y211-L227 HydrophobicContact CD2-CD2 3.41Å; Y211-L227 VanDerWaalsContact CD2-CD2 3.41Å; Y211-L227 HydrophobicContact CD2-CG 4.4Å; Y211-L227 HydrophobicContact CE1-CD1 4.2Å; Y211-L227 HydrophobicContact CE2-CD1 4.42Å; Y211-L227 HydrophobicContact CE2-CD2 3.85Å; Y211-L227 HydrophobicContact CG-CD1 3.92Å; Y211-L227 HydrophobicContact CG-CD2 3.85Å; Y211-L227 HydrophobicContact CG-CG 4.43Å; Y211-N403 HydrophobicContact CD1-CB 4.3Å; Y211-N403 HydrophobicContact CE1-CB 4.35Å; Y211-E404 HydrophobicContact CE2-CG 3.82Å; Y211-E404 WeakPolarHBondContact CE2-OE1 3.24Å; Y211-E404 WeakPolarHBondContact OH-CG 3.43Å; Y211-E404 PolarHBondContact OH-OE1 3.47Å; Y211-E404 VanDerWaalsContact OH-OE1 3.14Å; Y211-I519 HydrophobicContact CE2-CG2 3.92Å; Y211-T523 HydrophobicContact CE1-CG2 3.79Å; Y211-T523 PolarHBondContact OH-OG1 3.44Å; Y211-W572 PolarHBondContact O-NE1 2.88Å |
| 212 | E | 96.3 | Very high | 95.4 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | trans | -74 | 130.3 | 177.5 | -175 | 166.3 | -165.9 | 0 | 0 | 110.1 | Y209 Y222 R224 | Y209-E212 HydrophobicContact CD2-CB 3.96Å; Y209-E212 HydrophobicContact CD2-CG 4.48Å; Y209-E212 WeakPolarHBondContact CD2-OE2 3.08Å; Y209-E212 HydrophobicContact CE2-CB 4.31Å; Y209-E212 PolarHBondContact O-N 2.67Å; E212-Y222 WeakPolarHBondContact CA-O 3.47Å; E212-R224 HydrophobicContact CB-CG 4.12Å; E212-R224 IonicContact OE1-NH2 2.73Å; E212-R224 WeakPolarHBondContact OE2-CD 3.42Å; E212-R224 WeakPolarHBondContact OE2-CG 3.27Å; E212-R224 IonicContact OE2-CZ 3.32Å; E212-R224 VanDerWaalsContact OE2-CZ 3.27Å; E212-R224 IonicContact OE2-NE 3.83Å; E212-R224 PolarHBondContact OE2-NE 3.18Å; E212-R224 IonicContact OE2-NH2 3.44Å; E212-R224 PolarHBondContact OE2-NH2 3.38Å | ||
| 213 | T | 95.6 | Very high | 95.3 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | trans | -100.9 | 145.9 | -179 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | D215 Y220 K221 Y222 T573 | T213-D215 VanDerWaalsContact C-N 3.26Å; T213-D215 PolarHBondContact O-N 3.34Å; T213-Y220 PolarHBondContact OG1-O 2.98Å; T213-K221 WeakPolarHBondContact OG1-CA 3.48Å; T213-Y222 PolarHBondContact N-O 2.92Å; T213-Y222 PolarHBondContact OG1-N 3.48Å; T213-T573 HydrophobicContact CG2-CG2 4.29Å | ||
| 214 | L | 91.7 | Very high | 95.2 | Very high | 81 Ų | 81 | 49 Ų | 49 | 42% | 0.424 | 24% | 0.244 | S | C | . | . | trans | -80 | -6.1 | 169.6 | -58.5 | 177.5 | 0 | 0 | 0 | 113.3 | L99 I102 E216 | L99-L214 HydrophobicContact CB-CD1 4.3Å; L99-L214 HydrophobicContact CD1-CD1 3.9Å; I102-L214 HydrophobicContact CD1-CD1 3.59Å; I102-L214 HydrophobicContact CD1-CD2 3.95Å; I102-L214 HydrophobicContact CD1-CG 4.44Å; L214-E216 PolarHBondContact O-N 3.06Å | ||
| 215 | D | 90.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 16% | 0.16 | 27% | 0.267 | C | S | . | . | trans | -64.3 | 130.1 | 177.4 | -86.1 | -80.4 | 0 | 0 | 0 | 112.1 | T213 K221 S571 R574 | T213-D215 VanDerWaalsContact C-N 3.26Å; T213-D215 PolarHBondContact O-N 3.34Å; D215-K221 WeakPolarHBondContact O-CA 3.43Å; D215-K221 VanDerWaalsContact O-CB 3.31Å; D215-K221 WeakPolarHBondContact O-CB 3.48Å; D215-K221 WeakPolarHBondContact O-CG 3.4Å; D215-S571 WeakPolarHBondContact OD2-CB 3.37Å; D215-S571 PolarHBondContact OD2-OG 3.24Å; D215-R574 IonicContact OD1-CZ 3.47Å; D215-R574 VanDerWaalsContact OD1-CZ 3.3Å; D215-R574 IonicContact OD1-NE 3.64Å; D215-R574 PolarHBondContact OD1-NE 3.01Å; D215-R574 IonicContact OD1-NH2 3.29Å; D215-R574 PolarHBondContact OD1-NH2 2.78Å; D215-R574 IonicContact OD2-NE 3.14Å | ||
| 216 | E | 89.2 | Confident | 95 | Very high | 140 Ų | 140 | 55.7 Ų | 55.7 | 65% | 0.654 | 28% | 0.278 | S | S | * | . | trans | -94.6 | -13 | 172 | -66.9 | -62.6 | 166.2 | 0 | 0 | 112.8 | L214 V218 K221 | L214-E216 PolarHBondContact O-N 3.06Å; E216-V218 PolarHBondContact O-N 3.1Å; E216-K221 IonicContact OE1-NZ 2.82Å; E216-K221 IonicContact OE2-NZ 3.28Å; E216-K221 PolarHBondContact OE2-NZ 3.15Å | ||
| 217 | D | 93.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -62 | 117.8 | 171.1 | -78.8 | -14.8 | 0 | 0 | 0 | 109.1 | P219 Y220 K221 R574 | D217-P219 VanDerWaalsContact C-N 3.33Å; D217-P219 VanDerWaalsContact O-N 3.11Å; D217-Y220 HydrophobicContact CB-CD2 3.71Å; D217-Y220 HydrophobicContact CB-CE2 4.46Å; D217-Y220 PolarHBondContact O-N 2.77Å; D217-K221 PolarHBondContact O-N 3.32Å; D217-R574 IonicContact OD2-CZ 3.72Å; D217-R574 IonicContact OD2-NH2 2.59Å; D217-R574 PolarHBondContact OD2-NH2 3.28Å |
| 218 | V | 91.8 | Very high | 95.1 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 75% | 0.752 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | -45.6 | -175.4 | 179.5 | 0 | 0 | 0 | 0 | 114.7 | E216 Y220 | E216-V218 PolarHBondContact O-N 3.1Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 2.98Å |
| 219 | P | 93.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.9 | 179.6 | 24.3 | -33.5 | 0 | 0 | 0 | 113.7 | D217 R584 | D217-P219 VanDerWaalsContact C-N 3.33Å; D217-P219 VanDerWaalsContact O-N 3.11Å; P219-R584 PolarHBondContact O-NH1 3.06Å; P219-R584 VanDerWaalsContact O-NH1 3.13Å |
| 220 | Y | 96.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -22.2 | -174.4 | -54.9 | -67.1 | 0 | 0 | 0 | 113.1 | T213 D217 V218 Y222 T573 R574 E577 V583 | T213-Y220 PolarHBondContact OG1-O 2.98Å; D217-Y220 HydrophobicContact CB-CD2 3.71Å; D217-Y220 HydrophobicContact CB-CE2 4.46Å; D217-Y220 PolarHBondContact O-N 2.77Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 2.98Å; Y220-Y222 PolarHBondContact O-N 3.42Å; Y220-T573 VanDerWaalsContact CA-OG1 3.32Å; Y220-T573 WeakPolarHBondContact CA-OG1 3.31Å; Y220-T573 WeakPolarHBondContact CB-OG1 3.46Å; Y220-T573 WeakPolarHBondContact O-CG2 3.4Å; Y220-T573 PolarHBondContact O-OG1 2.87Å; Y220-R574 HydrophobicContact CD1-CB 4.31Å; Y220-R574 HydrophobicContact CD1-CG 3.37Å; Y220-R574 HydrophobicContact CD2-CG 4.28Å; Y220-R574 VanDerWaalsContact CD2-NH2 3.34Å; Y220-R574 HydrophobicContact CE1-CB 4.45Å; Y220-R574 HydrophobicContact CE1-CG 3.65Å; Y220-R574 HydrophobicContact CG-CG 3.72Å; Y220-E577 PolarHBondContact OH-OE1 3.42Å; Y220-E577 PolarHBondContact OH-OE2 3.28Å; Y220-V583 HydrophobicContact CD1-CG1 4.07Å; Y220-V583 HydrophobicContact CE1-CG1 3.69Å |
| 221 | K | 96.9 | Very high | 95.4 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | trans | -57.6 | 127.9 | 175.7 | -173.5 | 166.7 | -170.7 | 154.1 | 0 | 111.6 | T213 D215 E216 D217 R584 | T213-K221 WeakPolarHBondContact OG1-CA 3.48Å; D215-K221 WeakPolarHBondContact O-CA 3.43Å; D215-K221 VanDerWaalsContact O-CB 3.31Å; D215-K221 WeakPolarHBondContact O-CB 3.48Å; D215-K221 WeakPolarHBondContact O-CG 3.4Å; E216-K221 IonicContact OE1-NZ 2.82Å; E216-K221 IonicContact OE2-NZ 3.28Å; E216-K221 PolarHBondContact OE2-NZ 3.15Å; D217-K221 PolarHBondContact O-N 3.32Å; K221-R584 PolarHBondContact O-NH2 3.4Å | ||
| 222 | Y | 97.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | trans | -141.5 | 138.5 | 178.3 | -157 | -93.3 | 0 | 0 | 0 | 110.8 | Y211 E212 T213 Y220 Q226 L227 D230 W572 M585 | Y211-Y222 VanDerWaalsContact O-CD1 3.25Å; Y211-Y222 WeakPolarHBondContact O-CD1 3.37Å; E212-Y222 WeakPolarHBondContact CA-O 3.47Å; T213-Y222 PolarHBondContact N-O 2.92Å; T213-Y222 PolarHBondContact OG1-N 3.48Å; Y220-Y222 PolarHBondContact O-N 3.42Å; Y222-Q226 HydrophobicContact CD1-CB 4.36Å; Y222-Q226 HydrophobicContact CD2-CB 4.42Å; Y222-Q226 HydrophobicContact CD2-CG 4.09Å; Y222-Q226 HydrophobicContact CE1-CB 4.08Å; Y222-Q226 HydrophobicContact CE1-CG 4.46Å; Y222-Q226 HydrophobicContact CE2-CB 4.13Å; Y222-Q226 HydrophobicContact CE2-CG 3.63Å; Y222-Q226 PolarHBondContact OH-O 2.82Å; Y222-L227 HydrophobicContact CE1-CB 3.93Å; Y222-L227 VanDerWaalsContact OH-CA 3.28Å; Y222-L227 WeakPolarHBondContact OH-CA 3.46Å; Y222-L227 PolarHBondContact OH-N 3.31Å; Y222-D230 WeakPolarHBondContact CE2-OD2 3.41Å; Y222-D230 VanDerWaalsContact OH-CG 3.31Å; Y222-D230 PolarHBondContact OH-OD2 3.3Å; Y222-W572 AromaticContact CD1-CZ2 3.78Å; Y222-W572 HydrophobicContact CD1-CZ2 3.78Å; Y222-W572 HydrophobicContact CD2-CH2 4.12Å; Y222-W572 AromaticContact CD2-CZ2 3.52Å; Y222-W572 HydrophobicContact CD2-CZ2 3.52Å; Y222-W572 AromaticContact CE1-CZ2 3.86Å; Y222-W572 HydrophobicContact CE1-CZ2 3.86Å; Y222-W572 AromaticContact CE2-CH2 3.96Å; Y222-W572 HydrophobicContact CE2-CH2 3.96Å; Y222-W572 AromaticContact CE2-CZ2 3.64Å; Y222-W572 HydrophobicContact CE2-CZ2 3.64Å; Y222-W572 AromaticContact CG-CZ2 3.58Å; Y222-W572 HydrophobicContact CG-CZ2 3.58Å; Y222-W572 AromaticContact CZ-CZ2 3.79Å; Y222-M585 VanDerWaalsContact OH-CE 3.29Å; Y222-M585 WeakPolarHBondContact OH-CE 3.33Å | ||
| 223 | T | 96.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 59.1 Ų | 59.1 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | trans | -114.8 | 161.5 | -177.6 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | D225 Q226 L227 | T223-D225 PolarHBondContact O-N 3.17Å; T223-Q226 WeakPolarHBondContact O-CB 3.46Å; T223-Q226 PolarHBondContact O-N 2.76Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.36Å; T223-Q226 PolarHBondContact OG1-N 2.98Å; T223-Q226 VanDerWaalsContact OG1-N 3.16Å; T223-L227 PolarHBondContact O-N 3.27Å | ||
| 224 | R | 95.3 | Very high | 95.7 | Very high | 65 Ų | 65 | 58.7 Ų | 58.7 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.6 | -34.5 | 174.8 | -71.9 | 174.9 | -84.7 | -178.1 | -8.4 | 113.6 | F200 A205 R208 E212 L227 | F200-R224 VanDerWaalsContact CE1-NH1 3.28Å; A205-R224 WeakPolarHBondContact O-CD 3.39Å; R208-R224 HydrophobicContact CB-CB 4.02Å; R208-R224 HydrophobicContact CB-CG 4.05Å; E212-R224 HydrophobicContact CB-CG 4.12Å; E212-R224 IonicContact OE1-NH2 2.73Å; E212-R224 WeakPolarHBondContact OE2-CD 3.42Å; E212-R224 WeakPolarHBondContact OE2-CG 3.27Å; E212-R224 IonicContact OE2-CZ 3.32Å; E212-R224 VanDerWaalsContact OE2-CZ 3.27Å; E212-R224 IonicContact OE2-NE 3.83Å; E212-R224 PolarHBondContact OE2-NE 3.18Å; E212-R224 IonicContact OE2-NH2 3.44Å; E212-R224 PolarHBondContact OE2-NH2 3.38Å; R224-L227 WeakPolarHBondContact O-CB 3.49Å |
| 225 | D | 94.7 | Very high | 96 | Very high | 87 Ų | 87 | 55.7 Ų | 55.7 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -78.3 | -34.1 | -180 | -64.7 | -22.6 | 0 | 0 | 0 | 111.1 | T223 L227 M228 E229 | T223-D225 PolarHBondContact O-N 3.17Å; D225-L227 PolarHBondContact O-N 2.95Å; D225-M228 WeakPolarHBondContact O-CB 3.48Å; D225-M228 PolarHBondContact O-N 3Å; D225-E229 PolarHBondContact O-N 3.04Å; D225-E229 VanDerWaalsContact O-N 3.12Å |
| 226 | Q | 96.7 | Very high | 96.4 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 27% | 0.271 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 174.3 | -164.4 | 64.9 | 63 | 0 | 0 | 111.7 | Y222 T223 M228 E229 D230 | Y222-Q226 HydrophobicContact CD1-CB 4.36Å; Y222-Q226 HydrophobicContact CD2-CB 4.42Å; Y222-Q226 HydrophobicContact CD2-CG 4.09Å; Y222-Q226 HydrophobicContact CE1-CB 4.08Å; Y222-Q226 HydrophobicContact CE1-CG 4.46Å; Y222-Q226 HydrophobicContact CE2-CB 4.13Å; Y222-Q226 HydrophobicContact CE2-CG 3.63Å; Y222-Q226 PolarHBondContact OH-O 2.82Å; T223-Q226 WeakPolarHBondContact O-CB 3.46Å; T223-Q226 PolarHBondContact O-N 2.76Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.36Å; T223-Q226 PolarHBondContact OG1-N 2.98Å; T223-Q226 VanDerWaalsContact OG1-N 3.16Å; Q226-M228 VanDerWaalsContact C-N 3.29Å; Q226-M228 PolarHBondContact O-N 3.45Å; Q226-E229 PolarHBondContact NE2-OE2 3.46Å; Q226-E229 VanDerWaalsContact NE2-OE2 3.08Å; Q226-E229 PolarHBondContact O-N 2.68Å; Q226-D230 PolarHBondContact NE2-OD1 3.2Å; Q226-D230 WeakPolarHBondContact O-CB 3.49Å; Q226-D230 VanDerWaalsContact O-CG 3.31Å; Q226-D230 PolarHBondContact O-N 3.02Å |
| 227 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.5 | -46.9 | 172.5 | -178.9 | 62.5 | 0 | 0 | 0 | 111.9 | R208 Y211 Y222 T223 R224 D225 E229 V231 T523 M585 | R208-L227 HydrophobicContact CB-CD2 3.93Å; R208-L227 HydrophobicContact CG-CD2 3.77Å; Y211-L227 HydrophobicContact CD1-CD1 3.94Å; Y211-L227 HydrophobicContact CD2-CD1 4.18Å; Y211-L227 HydrophobicContact CD2-CD2 3.41Å; Y211-L227 VanDerWaalsContact CD2-CD2 3.41Å; Y211-L227 HydrophobicContact CD2-CG 4.4Å; Y211-L227 HydrophobicContact CE1-CD1 4.2Å; Y211-L227 HydrophobicContact CE2-CD1 4.42Å; Y211-L227 HydrophobicContact CE2-CD2 3.85Å; Y211-L227 HydrophobicContact CG-CD1 3.92Å; Y211-L227 HydrophobicContact CG-CD2 3.85Å; Y211-L227 HydrophobicContact CG-CG 4.43Å; Y222-L227 HydrophobicContact CE1-CB 3.93Å; Y222-L227 VanDerWaalsContact OH-CA 3.28Å; Y222-L227 WeakPolarHBondContact OH-CA 3.46Å; Y222-L227 PolarHBondContact OH-N 3.31Å; T223-L227 PolarHBondContact O-N 3.27Å; R224-L227 WeakPolarHBondContact O-CB 3.49Å; D225-L227 PolarHBondContact O-N 2.95Å; L227-E229 VanDerWaalsContact C-N 3.35Å; L227-V231 HydrophobicContact CD1-CG2 3.99Å; L227-V231 HydrophobicContact CG-CG2 4.41Å; L227-V231 VanDerWaalsContact O-CB 3.28Å; L227-V231 WeakPolarHBondContact O-CB 3.49Å; L227-V231 WeakPolarHBondContact O-CG2 3.18Å; L227-V231 PolarHBondContact O-N 3.47Å; L227-T523 HydrophobicContact CD1-CG2 4.21Å; L227-M585 HydrophobicContact CD1-CE 3.94Å |
| 228 | M | 97 | Very high | 97 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 14% | 0.138 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | -178.7 | -59.5 | 179.1 | 61.5 | 0 | 0 | 110.9 | R208 D225 Q226 R232 W467 | R208-M228 VanDerWaalsContact CD-CG 3.47Å; R208-M228 VanDerWaalsContact CZ-SD 3.53Å; R208-M228 PolarHBondContact NE-SD 3.18Å; R208-M228 VanDerWaalsContact NE-SD 3.36Å; D225-M228 WeakPolarHBondContact O-CB 3.48Å; D225-M228 PolarHBondContact O-N 3Å; Q226-M228 VanDerWaalsContact C-N 3.29Å; Q226-M228 PolarHBondContact O-N 3.45Å; M228-R232 VanDerWaalsContact CE-NH2 3.31Å; M228-R232 VanDerWaalsContact O-CB 3.28Å; M228-R232 WeakPolarHBondContact O-CB 3.11Å; M228-R232 VanDerWaalsContact O-CD 3.23Å; M228-R232 WeakPolarHBondContact O-CD 3.26Å; M228-R232 WeakPolarHBondContact O-CG 3.4Å; M228-R232 PolarHBondContact O-N 2Å; M228-R232 VanDerWaalsContact O-N 3.08Å; M228-W467 HydrophobicContact CB-CZ3 4.23Å; M228-W467 HydrophobicContact CE-CE3 3.92Å; M228-W467 HydrophobicContact CE-CZ3 4.49Å; M228-W467 HydrophobicContact CG-CE3 3.97Å; M228-W467 HydrophobicContact CG-CH2 4.23Å; M228-W467 HydrophobicContact CG-CZ3 3.75Å; M228-W467 HydrophobicContact SD-CE3 4.43Å |
| 229 | E | 97.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 49.2 Ų | 49.2 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -50.2 | 177.6 | -67.6 | -178.6 | 178.7 | 0 | 0 | 112.1 | D225 Q226 L227 R232 S233 | D225-E229 PolarHBondContact O-N 3.04Å; D225-E229 VanDerWaalsContact O-N 3.12Å; Q226-E229 PolarHBondContact NE2-OE2 3.46Å; Q226-E229 VanDerWaalsContact NE2-OE2 3.08Å; Q226-E229 PolarHBondContact O-N 2.68Å; L227-E229 VanDerWaalsContact C-N 3.35Å; E229-R232 PolarHBondContact O-N 3.01Å; E229-S233 PolarHBondContact O-N 2.85Å |
| 230 | D | 98 | Very high | 97.6 | Very high | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | -177.5 | -68.8 | 0.4 | 0 | 0 | 0 | 110.8 | Y222 Q226 R232 S233 I234 M585 | Y222-D230 WeakPolarHBondContact CE2-OD2 3.41Å; Y222-D230 VanDerWaalsContact OH-CG 3.31Å; Y222-D230 PolarHBondContact OH-OD2 3.3Å; Q226-D230 PolarHBondContact NE2-OD1 3.2Å; Q226-D230 WeakPolarHBondContact O-CB 3.49Å; Q226-D230 VanDerWaalsContact O-CG 3.31Å; Q226-D230 PolarHBondContact O-N 3.02Å; D230-R232 VanDerWaalsContact C-N 3.31Å; D230-R232 PolarHBondContact O-N 3.43Å; D230-S233 PolarHBondContact O-N 3.1Å; D230-S233 VanDerWaalsContact O-N 3.13Å; D230-I234 WeakPolarHBondContact O-CB 3.44Å; D230-I234 VanDerWaalsContact O-CG1 3.31Å; D230-I234 WeakPolarHBondContact O-CG1 3.41Å; D230-I234 PolarHBondContact O-N 3.31Å; D230-M585 HydrophobicContact CB-CE 4.13Å |
| 231 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 176.1 | 166.2 | 0 | 0 | 0 | 0 | 111.1 | L227 S233 Y235 Y460 I519 F522 | L227-V231 HydrophobicContact CD1-CG2 3.99Å; L227-V231 HydrophobicContact CG-CG2 4.41Å; L227-V231 VanDerWaalsContact O-CB 3.28Å; L227-V231 WeakPolarHBondContact O-CB 3.49Å; L227-V231 WeakPolarHBondContact O-CG2 3.18Å; L227-V231 PolarHBondContact O-N 3.47Å; V231-S233 VanDerWaalsContact C-N 3.35Å; V231-S233 PolarHBondContact O-N 2.91Å; V231-Y235 VanDerWaalsContact O-CB 3.22Å; V231-Y235 WeakPolarHBondContact O-CB 3.12Å; V231-Y235 PolarHBondContact O-N 3.45Å; V231-Y460 HydrophobicContact CG1-CD2 3.46Å; V231-Y460 VanDerWaalsContact CG1-CD2 3.46Å; V231-Y460 HydrophobicContact CG1-CE2 3.85Å; V231-I519 HydrophobicContact CG1-CD1 3.85Å; V231-I519 HydrophobicContact CG2-CD1 3.97Å; V231-I519 HydrophobicContact CG2-CG1 4.23Å; V231-F522 HydrophobicContact CB-CE1 4.24Å; V231-F522 HydrophobicContact CG1-CD1 4.08Å; V231-F522 HydrophobicContact CG1-CE1 3.89Å; V231-F522 HydrophobicContact CG1-CZ 4.19Å; V231-F522 HydrophobicContact CG2-CD1 4.08Å; V231-F522 HydrophobicContact CG2-CE1 4.19Å |
| 232 | R | 98.1 | Very high | 97.8 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 33% | 0.328 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.4 | -34.5 | 177.8 | -74.6 | 167.5 | 179.3 | 170.9 | -4.9 | 112.5 | M228 E229 D230 K236 Y460 E464 | M228-R232 VanDerWaalsContact CE-NH2 3.31Å; M228-R232 VanDerWaalsContact O-CB 3.28Å; M228-R232 WeakPolarHBondContact O-CB 3.11Å; M228-R232 VanDerWaalsContact O-CD 3.23Å; M228-R232 WeakPolarHBondContact O-CD 3.26Å; M228-R232 WeakPolarHBondContact O-CG 3.4Å; M228-R232 PolarHBondContact O-N 2Å; M228-R232 VanDerWaalsContact O-N 3.08Å; E229-R232 PolarHBondContact O-N 3.01Å; D230-R232 VanDerWaalsContact C-N 3.31Å; D230-R232 PolarHBondContact O-N 3.43Å; R232-K236 WeakPolarHBondContact O-CG 3.45Å; R232-K236 PolarHBondContact O-N 3.46Å; R232-Y460 HydrophobicContact CG-CE2 4.01Å; R232-Y460 WeakPolarHBondContact CG-OH 3.38Å; R232-E464 IonicContact CZ-OE1 3.26Å; R232-E464 IonicContact CZ-OE2 3.41Å; R232-E464 IonicContact NE-OE1 3.62Å; R232-E464 IonicContact NE-OE2 3.43Å; R232-E464 PolarHBondContact NE-OE2 2.89Å; R232-E464 IonicContact NH2-OE1 2.71Å; R232-E464 PolarHBondContact NH2-OE1 3.14Å; R232-E464 IonicContact NH2-OE2 3.21Å; R232-E464 PolarHBondContact NH2-OE2 2.98Å |
| 233 | S | 98.4 | Very high | 97.8 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.4 | -54.5 | 175 | -168.3 | 0 | 0 | 0 | 0 | 110.9 | E229 D230 V231 Y235 K236 E237 | E229-S233 PolarHBondContact O-N 2.85Å; D230-S233 PolarHBondContact O-N 3.1Å; D230-S233 VanDerWaalsContact O-N 3.13Å; V231-S233 VanDerWaalsContact C-N 3.35Å; V231-S233 PolarHBondContact O-N 2.91Å; S233-Y235 VanDerWaalsContact C-N 3.27Å; S233-Y235 PolarHBondContact O-N 3.16Å; S233-K236 WeakPolarHBondContact O-CA 3.32Å; S233-K236 WeakPolarHBondContact O-CB 3.38Å; S233-K236 PolarHBondContact O-N 3.28Å; S233-E237 PolarHBondContact O-N 3.47Å; S233-E237 VanDerWaalsContact O-N 3.09Å; S233-E237 PolarHBondContact OG-OE1 2.91Å; S233-E237 VanDerWaalsContact OG-OE1 3.07Å |
| 234 | I | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -43 | -179.9 | -71.4 | 164.1 | 0 | 0 | 0 | 110.9 | D230 K236 E237 I238 F522 I526 M585 A587 | D230-I234 WeakPolarHBondContact O-CB 3.44Å; D230-I234 VanDerWaalsContact O-CG1 3.31Å; D230-I234 WeakPolarHBondContact O-CG1 3.41Å; D230-I234 PolarHBondContact O-N 3.31Å; I234-K236 VanDerWaalsContact C-N 3.3Å; I234-K236 PolarHBondContact O-N 3.15Å; I234-E237 WeakPolarHBondContact O-CB 3.28Å; I234-E237 PolarHBondContact O-N 3.3Å; I234-E237 VanDerWaalsContact O-N 3.1Å; I234-I238 HydrophobicContact CG2-CD1 3.51Å; I234-I238 HydrophobicContact CG2-CG1 4.42Å; I234-I238 WeakPolarHBondContact O-CD1 3.28Å; I234-I238 WeakPolarHBondContact O-CG1 3.44Å; I234-I238 PolarHBondContact O-N 3.38Å; I234-F522 HydrophobicContact CB-CE1 4.18Å; I234-F522 HydrophobicContact CB-CZ 4.3Å; I234-F522 HydrophobicContact CG2-CE1 3.75Å; I234-F522 HydrophobicContact CG2-CZ 3.78Å; I234-I526 HydrophobicContact CD1-CG2 4.48Å; I234-I526 HydrophobicContact CG2-CD1 3.55Å; I234-I526 HydrophobicContact CG2-CG1 3.95Å; I234-M585 HydrophobicContact CD1-CB 3.6Å; I234-A587 HydrophobicContact CG1-CB 4.48Å; I234-A587 HydrophobicContact CG2-CB 3.85Å |
| 235 | Y | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.1 | -46.8 | 174.1 | 169.7 | -103.6 | 0 | 0 | 0 | 111.8 | V231 S233 E237 I238 M239 P457 Y460 L490 | V231-Y235 VanDerWaalsContact O-CB 3.22Å; V231-Y235 WeakPolarHBondContact O-CB 3.12Å; V231-Y235 PolarHBondContact O-N 3.45Å; S233-Y235 VanDerWaalsContact C-N 3.27Å; S233-Y235 PolarHBondContact O-N 3.16Å; Y235-E237 VanDerWaalsContact C-N 3.3Å; Y235-E237 PolarHBondContact O-N 2.87Å; Y235-I238 PolarHBondContact O-N 3.18Å; Y235-M239 HydrophobicContact CD1-CG 4.33Å; Y235-M239 HydrophobicContact CD2-CG 4.49Å; Y235-M239 HydrophobicContact CD2-SD 4.3Å; Y235-M239 HydrophobicContact CE1-CG 3.9Å; Y235-M239 HydrophobicContact CE1-SD 4.13Å; Y235-M239 HydrophobicContact CE2-CG 4.07Å; Y235-M239 HydrophobicContact CE2-SD 3.46Å; Y235-M239 WeakPolarHBondContact CE2-SD 3.46Å; Y235-M239 VanDerWaalsContact O-CG 3.31Å; Y235-M239 WeakPolarHBondContact O-CG 3.37Å; Y235-M239 PolarHBondContact O-N 3.36Å; Y235-M239 VanDerWaalsContact O-N 3.08Å; Y235-M239 PolarHBondContact OH-SD 2.88Å; Y235-P457 HydrophobicContact CE2-CB 3.93Å; Y235-P457 HydrophobicContact CE2-CG 4.18Å; Y235-Y460 AromaticContact CD1-CD1 3.74Å; Y235-Y460 HydrophobicContact CD1-CD1 3.74Å; Y235-Y460 AromaticContact CD1-CE1 3.55Å; Y235-Y460 HydrophobicContact CD1-CE1 3.55Å; Y235-Y460 AromaticContact CD2-CD1 3.39Å; Y235-Y460 HydrophobicContact CD2-CD1 3.39Å; Y235-Y460 HydrophobicContact CD2-CE1 4.11Å; Y235-Y460 AromaticContact CD2-CG 3.89Å; Y235-Y460 HydrophobicContact CD2-CG 3.89Å; Y235-Y460 AromaticContact CE1-CD1 3.93Å; Y235-Y460 HydrophobicContact CE1-CD1 3.93Å; Y235-Y460 AromaticContact CE1-CE1 3.74Å; Y235-Y460 HydrophobicContact CE1-CE1 3.74Å; Y235-Y460 AromaticContact CE2-CD1 3.6Å; Y235-Y460 HydrophobicContact CE2-CD1 3.6Å; Y235-Y460 HydrophobicContact CE2-CE1 4.27Å; Y235-Y460 HydrophobicContact CE2-CG 4.44Å; Y235-Y460 AromaticContact CG-CD1 3.46Å; Y235-Y460 HydrophobicContact CG-CD1 3.46Å; Y235-Y460 VanDerWaalsContact CG-CD1 3.46Å; Y235-Y460 AromaticContact CG-CE1 3.74Å; Y235-Y460 HydrophobicContact CG-CE1 3.74Å; Y235-Y460 AromaticContact CG-CG 4Å; Y235-Y460 HydrophobicContact CG-CG 4Å; Y235-Y460 AromaticContact CZ-CD1 3.85Å; Y235-L490 HydrophobicContact CE1-CD2 4.02Å; Y235-L490 WeakPolarHBondContact OH-CA 3.29Å; Y235-L490 WeakPolarHBondContact OH-CB 3.25Å; Y235-L490 PolarHBondContact OH-O 2.79Å |
| 236 | K | 98.5 | Very high | 98.3 | Very high | 150 Ų | 150 | 38.7 Ų | 38.7 | 65% | 0.652 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.5 | -35 | 178 | -68.5 | 167.8 | -175.3 | 171.6 | 0 | 112.7 | R232 S233 I234 I238 M239 P240 | R232-K236 WeakPolarHBondContact O-CG 3.45Å; R232-K236 PolarHBondContact O-N 3.46Å; S233-K236 WeakPolarHBondContact O-CA 3.32Å; S233-K236 WeakPolarHBondContact O-CB 3.38Å; S233-K236 PolarHBondContact O-N 3.28Å; I234-K236 VanDerWaalsContact C-N 3.3Å; I234-K236 PolarHBondContact O-N 3.15Å; K236-I238 VanDerWaalsContact C-N 3.35Å; K236-M239 PolarHBondContact O-N 3.16Å; K236-P240 WeakPolarHBondContact O-CD 3.32Å |
| 237 | E | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 36 Ų | 36 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.8 | -34.9 | 177.3 | -67.1 | 164.5 | -143.4 | 0 | 0 | 112.2 | S233 I234 Y235 P240 | S233-E237 PolarHBondContact O-N 3.47Å; S233-E237 VanDerWaalsContact O-N 3.09Å; S233-E237 PolarHBondContact OG-OE1 2.91Å; S233-E237 VanDerWaalsContact OG-OE1 3.07Å; I234-E237 WeakPolarHBondContact O-CB 3.28Å; I234-E237 PolarHBondContact O-N 3.3Å; I234-E237 VanDerWaalsContact O-N 3.1Å; Y235-E237 VanDerWaalsContact C-N 3.3Å; Y235-E237 PolarHBondContact O-N 2.87Å; E237-P240 VanDerWaalsContact O-CD 3.31Å; E237-P240 WeakPolarHBondContact O-CD 3.32Å |
| 238 | I | 98.3 | Very high | 98.5 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.8 | -28.4 | 178.2 | -64.7 | 156.2 | 0 | 0 | 0 | 112.3 | I234 Y235 K236 P240 L241 Y242 V453 L456 F522 I526 A587 | I234-I238 HydrophobicContact CG2-CD1 3.51Å; I234-I238 HydrophobicContact CG2-CG1 4.42Å; I234-I238 WeakPolarHBondContact O-CD1 3.28Å; I234-I238 WeakPolarHBondContact O-CG1 3.44Å; I234-I238 PolarHBondContact O-N 3.38Å; Y235-I238 PolarHBondContact O-N 3.18Å; K236-I238 VanDerWaalsContact C-N 3.35Å; I238-P240 VanDerWaalsContact C-CD 3.42Å; I238-L241 PolarHBondContact O-N 3.28Å; I238-L241 VanDerWaalsContact O-N 3.09Å; I238-Y242 PolarHBondContact O-N 3.27Å; I238-Y242 VanDerWaalsContact O-N 3.12Å; I238-V453 HydrophobicContact CG2-CG1 4.43Å; I238-L456 HydrophobicContact CD1-CD1 3.97Å; I238-L456 HydrophobicContact CG2-CD1 4.18Å; I238-F522 HydrophobicContact CD1-CZ 4.4Å; I238-I526 HydrophobicContact CD1-CD1 3.97Å; I238-A587 HydrophobicContact CG1-CB 4.39Å |
| 239 | M | 98.3 | Very high | 98.5 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.5 | -37.5 | -173.5 | -80.4 | -52.5 | -77.2 | 0 | 0 | 116.3 | Y235 K236 Y242 K243 P457 W614 | Y235-M239 HydrophobicContact CD1-CG 4.33Å; Y235-M239 HydrophobicContact CD2-CG 4.49Å; Y235-M239 HydrophobicContact CD2-SD 4.3Å; Y235-M239 HydrophobicContact CE1-CG 3.9Å; Y235-M239 HydrophobicContact CE1-SD 4.13Å; Y235-M239 HydrophobicContact CE2-CG 4.07Å; Y235-M239 HydrophobicContact CE2-SD 3.46Å; Y235-M239 WeakPolarHBondContact CE2-SD 3.46Å; Y235-M239 VanDerWaalsContact O-CG 3.31Å; Y235-M239 WeakPolarHBondContact O-CG 3.37Å; Y235-M239 PolarHBondContact O-N 3.36Å; Y235-M239 VanDerWaalsContact O-N 3.08Å; Y235-M239 PolarHBondContact OH-SD 2.88Å; K236-M239 PolarHBondContact O-N 3.16Å; M239-Y242 HydrophobicContact CE-CD1 4.07Å; M239-Y242 PolarHBondContact O-N 3.13Å; M239-Y242 HydrophobicContact SD-CD1 4.03Å; M239-K243 HydrophobicContact CE-CG 4.26Å; M239-K243 WeakPolarHBondContact O-CB 3.44Å; M239-K243 VanDerWaalsContact O-CG 3.28Å; M239-K243 WeakPolarHBondContact O-CG 3.3Å; M239-K243 PolarHBondContact O-N 2.97Å; M239-P457 HydrophobicContact SD-CG 4.42Å; M239-W614 HydrophobicContact CE-CH2 3.68Å; M239-W614 HydrophobicContact CE-CZ2 4.1Å |
| 240 | P | 98.7 | Very high | 98.6 | Very high | 60 Ų | 60 | 29.4 Ų | 29.4 | 39% | 0.39 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 174.7 | -26.5 | 36 | 0 | 0 | 0 | 113 | K236 E237 I238 K243 E244 Y598 | K236-P240 WeakPolarHBondContact O-CD 3.32Å; E237-P240 VanDerWaalsContact O-CD 3.31Å; E237-P240 WeakPolarHBondContact O-CD 3.32Å; I238-P240 VanDerWaalsContact C-CD 3.42Å; P240-K243 PolarHBondContact O-N 3.38Å; P240-E244 WeakPolarHBondContact O-CG 3.36Å; P240-E244 PolarHBondContact O-N 2.81Å; P240-Y598 HydrophobicContact CB-CE2 4.38Å |
| 241 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.5 | 169.3 | 58.7 | 0 | 0 | 0 | 111 | I238 K243 E244 L245 V453 L591 F594 Y598 L601 | I238-L241 PolarHBondContact O-N 3.28Å; I238-L241 VanDerWaalsContact O-N 3.09Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 2.74Å; L241-E244 PolarHBondContact O-N 2.59Å; L241-L245 PolarHBondContact O-N 2.74Å; L241-V453 HydrophobicContact CD2-CG1 4.15Å; L241-V453 HydrophobicContact CD2-CG2 3.91Å; L241-V453 HydrophobicContact CG-CG1 4.05Å; L241-L591 HydrophobicContact CB-CD2 4.41Å; L241-L591 HydrophobicContact CD2-CD2 4.25Å; L241-F594 HydrophobicContact CD2-CB 3.63Å; L241-F594 HydrophobicContact CD2-CD2 4.36Å; L241-F594 HydrophobicContact CD2-CG 4.18Å; L241-Y598 HydrophobicContact CB-CD2 4.11Å; L241-Y598 HydrophobicContact CB-CE2 4.49Å; L241-Y598 HydrophobicContact CD1-CD2 3.89Å; L241-Y598 HydrophobicContact CD1-CG 4.26Å; L241-L601 HydrophobicContact CD1-CD1 4.37Å |
| 242 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 179.2 | 177.3 | -105.5 | 0 | 0 | 0 | 112.7 | I238 M239 E244 L245 H246 W280 V453 P457 V491 W614 | I238-Y242 PolarHBondContact O-N 3.27Å; I238-Y242 VanDerWaalsContact O-N 3.12Å; M239-Y242 HydrophobicContact CE-CD1 4.07Å; M239-Y242 PolarHBondContact O-N 3.13Å; M239-Y242 HydrophobicContact SD-CD1 4.03Å; Y242-E244 VanDerWaalsContact C-N 3.34Å; Y242-E244 PolarHBondContact O-N 3.14Å; Y242-L245 PolarHBondContact O-N 3.14Å; Y242-H246 HydrophobicContact CE1-CB 4.44Å; Y242-H246 VanDerWaalsContact O-CB 3.25Å; Y242-H246 WeakPolarHBondContact O-CB 3.43Å; Y242-H246 PolarHBondContact O-N 3.23Å; Y242-W280 AromaticContact CE2-CH2 3.82Å; Y242-W280 HydrophobicContact CE2-CH2 3.82Å; Y242-W280 HydrophobicContact CE2-CZ2 4.27Å; Y242-W280 HydrophobicContact CE2-CZ3 4.31Å; Y242-W280 AromaticContact CZ-CH2 3.89Å; Y242-W280 WeakPolarHBondContact OH-CH2 3.42Å; Y242-W280 WeakPolarHBondContact OH-CZ2 3.43Å; Y242-V453 HydrophobicContact CD2-CG1 4.44Å; Y242-P457 HydrophobicContact CD1-CB 4.5Å; Y242-P457 HydrophobicContact CD1-CG 3.67Å; Y242-P457 HydrophobicContact CD2-CG 3.67Å; Y242-P457 HydrophobicContact CE1-CB 4.18Å; Y242-P457 HydrophobicContact CE1-CG 3.76Å; Y242-P457 HydrophobicContact CE2-CG 3.77Å; Y242-P457 HydrophobicContact CG-CG 3.62Å; Y242-V491 WeakPolarHBondContact CE1-O 3.48Å; Y242-V491 PolarHBondContact OH-O 2.99Å; Y242-W614 AromaticContact CD1-CH2 3.94Å; Y242-W614 HydrophobicContact CD1-CH2 3.94Å; Y242-W614 HydrophobicContact CD1-CZ3 4.28Å; Y242-W614 AromaticContact CE1-CH2 3.6Å; Y242-W614 HydrophobicContact CE1-CH2 3.6Å; Y242-W614 AromaticContact CE1-CZ3 3.94Å; Y242-W614 HydrophobicContact CE1-CZ3 3.94Å |
| 243 | K | 98.9 | Very high | 98.6 | Very high | 81 Ų | 81 | 27.1 Ų | 27.1 | 35% | 0.352 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 179.1 | -77.9 | 176.4 | 178.1 | -179.9 | 0 | 112.8 | M239 P240 L241 A247 V612 W614 | M239-K243 HydrophobicContact CE-CG 4.26Å; M239-K243 WeakPolarHBondContact O-CB 3.44Å; M239-K243 VanDerWaalsContact O-CG 3.28Å; M239-K243 WeakPolarHBondContact O-CG 3.3Å; M239-K243 PolarHBondContact O-N 2.97Å; P240-K243 PolarHBondContact O-N 3.38Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 2.74Å; K243-A247 WeakPolarHBondContact O-CB 3.5Å; K243-A247 PolarHBondContact O-N 3.27Å; K243-V612 HydrophobicContact CB-CG1 3.79Å; K243-W614 HydrophobicContact CG-CH2 4.2Å; K243-W614 HydrophobicContact CG-CZ3 3.95Å |
| 244 | E | 98.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 12% | 0.117 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.4 | -41.7 | 175.2 | -66.6 | -65.1 | 170.5 | 0 | 0 | 111.4 | P240 L241 Y242 A247 Y248 Y598 L601 K602 N605 V612 | P240-E244 WeakPolarHBondContact O-CG 3.36Å; P240-E244 PolarHBondContact O-N 2.81Å; L241-E244 PolarHBondContact O-N 2.59Å; Y242-E244 VanDerWaalsContact C-N 3.34Å; Y242-E244 PolarHBondContact O-N 3.14Å; E244-A247 PolarHBondContact O-N 3.28Å; E244-Y248 WeakPolarHBondContact O-CB 3.41Å; E244-Y248 PolarHBondContact O-N 3.24Å; E244-Y598 HydrophobicContact CB-CD2 4.43Å; E244-Y598 HydrophobicContact CB-CE2 4.41Å; E244-Y598 HydrophobicContact CG-CD2 4.16Å; E244-Y598 HydrophobicContact CG-CE2 3.71Å; E244-L601 HydrophobicContact CB-CB 3.91Å; E244-L601 HydrophobicContact CB-CD1 4.34Å; E244-K602 HydrophobicContact CG-CG 3.78Å; E244-N605 PolarHBondContact O-ND2 2.95Å; E244-N605 PolarHBondContact OE2-ND2 3.41Å; E244-V612 HydrophobicContact CG-CG1 4.49Å; E244-V612 WeakPolarHBondContact OE2-CG2 3.23Å |
| 245 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 173.7 | 178.2 | 63.6 | 0 | 0 | 0 | 111.3 | L241 Y242 A247 Y248 V249 L446 A449 L450 V453 A454 L601 | L241-L245 PolarHBondContact O-N 2.74Å; Y242-L245 PolarHBondContact O-N 3.14Å; L245-A247 PolarHBondContact O-N 3.44Å; L245-Y248 PolarHBondContact O-N 3.43Å; L245-V249 HydrophobicContact CD1-CG2 4.12Å; L245-V249 HydrophobicContact CG-CG2 4.46Å; L245-V249 WeakPolarHBondContact O-CG2 3.24Å; L245-V249 PolarHBondContact O-N 3.04Å; L245-L446 HydrophobicContact CD1-CD1 3.54Å; L245-A449 HydrophobicContact CD1-CB 4.46Å; L245-A449 HydrophobicContact CD2-CB 4.11Å; L245-L450 HydrophobicContact CD1-CD2 4.19Å; L245-V453 HydrophobicContact CD2-CB 4.13Å; L245-V453 HydrophobicContact CD2-CG1 4.15Å; L245-A454 HydrophobicContact CD2-CB 4.36Å; L245-L601 HydrophobicContact CB-CD1 4.15Å; L245-L601 HydrophobicContact CD1-CD1 4.48Å |
| 246 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.7 | -48.3 | 177.7 | -178.5 | -71.4 | 0 | 0 | 0 | 111.5 | Y242 Y248 V249 R250 W280 G492 W614 | Y242-H246 HydrophobicContact CE1-CB 4.44Å; Y242-H246 VanDerWaalsContact O-CB 3.25Å; Y242-H246 WeakPolarHBondContact O-CB 3.43Å; Y242-H246 PolarHBondContact O-N 3.23Å; H246-Y248 VanDerWaalsContact C-N 3.33Å; H246-Y248 PolarHBondContact O-N 3.44Å; H246-V249 PolarHBondContact O-N 2.71Å; H246-R250 PolarHBondContact CE1-NH1 3.4Å; H246-R250 VanDerWaalsContact O-CB 3.25Å; H246-R250 WeakPolarHBondContact O-CB 3.46Å; H246-R250 PolarHBondContact O-N 2.86Å; H246-W280 HydrophobicContact CB-CH2 4.42Å; H246-W280 AromaticContact CD2-CH2 3.86Å; H246-G492 PolarHBondContact NE2-O 3.48Å; H246-W614 HydrophobicContact CB-CZ3 4.12Å; H246-W614 AromaticContact CD2-CE3 3.88Å; H246-W614 AromaticContact CD2-CZ3 3.8Å; H246-W614 AromaticContact CE1-CE3 3.71Å; H246-W614 AromaticContact CG-CE3 3.82Å; H246-W614 AromaticContact CG-CZ3 3.76Å; H246-W614 AromaticContact ND1-CE3 3.7Å; H246-W614 AromaticContact NE2-CE3 3.81Å |
| 247 | A | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K243 E244 L245 S251 A611 V612 | K243-A247 WeakPolarHBondContact O-CB 3.5Å; K243-A247 PolarHBondContact O-N 3.27Å; E244-A247 PolarHBondContact O-N 3.28Å; L245-A247 PolarHBondContact O-N 3.44Å; A247-S251 PolarHBondContact O-N 3.11Å; A247-S251 VanDerWaalsContact O-N 3.15Å; A247-A611 WeakPolarHBondContact CB-O 3.12Å; A247-V612 HydrophobicContact CB-CG2 4.26Å |
| 248 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -54.4 | 174.8 | 177.5 | -96.2 | 0 | 0 | 0 | 111.1 | E244 L245 H246 R250 S251 R252 S287 L446 W600 L601 | E244-Y248 WeakPolarHBondContact O-CB 3.41Å; E244-Y248 PolarHBondContact O-N 3.24Å; L245-Y248 PolarHBondContact O-N 3.43Å; H246-Y248 VanDerWaalsContact C-N 3.33Å; H246-Y248 PolarHBondContact O-N 3.44Å; Y248-R250 VanDerWaalsContact C-N 3.33Å; Y248-R250 PolarHBondContact O-N 3.28Å; Y248-S251 PolarHBondContact O-N 3.07Å; Y248-S251 VanDerWaalsContact O-N 3.14Å; Y248-S251 PolarHBondContact O-OG 3.32Å; Y248-R252 HydrophobicContact CD1-CG 4.42Å; Y248-R252 HydrophobicContact CE1-CG 3.99Å; Y248-R252 WeakPolarHBondContact O-CG 3.28Å; Y248-R252 PolarHBondContact O-N 2.91Å; Y248-R252 VanDerWaalsContact O-N 3.15Å; Y248-R252 PolarHBondContact OH-NE 3.26Å; Y248-R252 PolarHBondContact OH-NH2 3.4Å; Y248-R252 VanDerWaalsContact OH-NH2 3.09Å; Y248-S287 WeakPolarHBondContact CE1-O 3.11Å; Y248-S287 PolarHBondContact OH-O 2.71Å; Y248-L446 HydrophobicContact CD1-CD1 4.23Å; Y248-L446 HydrophobicContact CE1-CD1 4.24Å; Y248-L446 HydrophobicContact CE1-CD2 3.79Å; Y248-W600 HydrophobicContact CD2-CH2 4.26Å; Y248-W600 HydrophobicContact CD2-CZ3 4Å; Y248-W600 AromaticContact CE2-CH2 3.57Å; Y248-W600 HydrophobicContact CE2-CH2 3.57Å; Y248-W600 AromaticContact CE2-CZ3 3.73Å; Y248-W600 HydrophobicContact CE2-CZ3 3.73Å; Y248-W600 AromaticContact CZ-CH2 3.96Å; Y248-L601 HydrophobicContact CD1-CD2 4.1Å; Y248-L601 HydrophobicContact CD2-CD2 4.05Å; Y248-L601 HydrophobicContact CG-CD2 3.61Å |
| 249 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L245 H246 S251 R252 L253 L267 W280 L283 L450 | L245-V249 HydrophobicContact CD1-CG2 4.12Å; L245-V249 HydrophobicContact CG-CG2 4.46Å; L245-V249 WeakPolarHBondContact O-CG2 3.24Å; L245-V249 PolarHBondContact O-N 3.04Å; H246-V249 PolarHBondContact O-N 2.71Å; V249-S251 VanDerWaalsContact C-N 3.33Å; V249-S251 PolarHBondContact O-N 3.41Å; V249-R252 PolarHBondContact O-N 3.22Å; V249-R252 VanDerWaalsContact O-N 3.13Å; V249-L253 HydrophobicContact CG1-CD1 3.94Å; V249-L253 HydrophobicContact CG1-CG 4.16Å; V249-L253 WeakPolarHBondContact O-CG 3.5Å; V249-L253 PolarHBondContact O-N 3.09Å; V249-L267 HydrophobicContact CG1-CD1 4.36Å; V249-W280 HydrophobicContact CB-CE3 4.35Å; V249-W280 HydrophobicContact CB-CZ3 4.15Å; V249-W280 HydrophobicContact CG1-CE3 4.1Å; V249-W280 HydrophobicContact CG1-CZ3 4.2Å; V249-W280 HydrophobicContact CG2-CE3 4.07Å; V249-W280 HydrophobicContact CG2-CZ3 4.17Å; V249-L283 HydrophobicContact CG1-CD1 3.82Å; V249-L450 HydrophobicContact CG2-CD2 3.68Å |
| 250 | R | 98.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.5 | -46.8 | 175.2 | -179 | 171.5 | 64.6 | -141.8 | -8 | 112.3 | H246 Y248 R252 L253 M254 I261 D262 S263 G265 L267 A611 G613 | H246-R250 PolarHBondContact CE1-NH1 3.4Å; H246-R250 VanDerWaalsContact O-CB 3.25Å; H246-R250 WeakPolarHBondContact O-CB 3.46Å; H246-R250 PolarHBondContact O-N 2.86Å; Y248-R250 VanDerWaalsContact C-N 3.33Å; Y248-R250 PolarHBondContact O-N 3.28Å; R250-R252 VanDerWaalsContact C-N 3.3Å; R250-R252 PolarHBondContact O-N 3.22Å; R250-L253 PolarHBondContact O-N 3.06Å; R250-M254 HydrophobicContact CG-SD 4.27Å; R250-M254 VanDerWaalsContact O-CG 3.26Å; R250-M254 WeakPolarHBondContact O-CG 3.45Å; R250-M254 PolarHBondContact O-N 3.03Å; R250-I261 HydrophobicContact CG-CG2 3.82Å; R250-D262 WeakPolarHBondContact CD-O 3.42Å; R250-S263 PolarHBondContact NE-O 3.13Å; R250-S263 VanDerWaalsContact NE-O 3.15Å; R250-S263 PolarHBondContact NH2-O 2.06Å; R250-G265 VanDerWaalsContact CD-O 3.25Å; R250-G265 WeakPolarHBondContact CD-O 3.42Å; R250-G265 PolarHBondContact NH1-O 2.96Å; R250-L267 HydrophobicContact CB-CD2 3.72Å; R250-L267 HydrophobicContact CB-CG 4.45Å; R250-L267 HydrophobicContact CG-CD2 3.89Å; R250-A611 PolarHBondContact NH2-O 3.4Å; R250-G613 PolarHBondContact NH1-O 2.62Å; R250-G613 PolarHBondContact NH2-O 3.09Å |
| 251 | S | 98.3 | Very high | 97.1 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 178.5 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | A247 Y248 V249 M254 E255 R610 | A247-S251 PolarHBondContact O-N 3.11Å; A247-S251 VanDerWaalsContact O-N 3.15Å; Y248-S251 PolarHBondContact O-N 3.07Å; Y248-S251 VanDerWaalsContact O-N 3.14Å; Y248-S251 PolarHBondContact O-OG 3.32Å; V249-S251 VanDerWaalsContact C-N 3.33Å; V249-S251 PolarHBondContact O-N 3.41Å; S251-M254 WeakPolarHBondContact O-CB 3.44Å; S251-M254 PolarHBondContact O-N 3.39Å; S251-E255 PolarHBondContact O-N 3.01Å; S251-R610 VanDerWaalsContact CB-CD 3.5Å; S251-R610 VanDerWaalsContact CB-NE 3.3Å; S251-R610 WeakPolarHBondContact OG-CD 3.39Å; S251-R610 VanDerWaalsContact OG-CZ 3.26Å; S251-R610 PolarHBondContact OG-NE 3.35Å |
| 252 | R | 98.2 | Very high | 96.9 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 19% | 0.185 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 176.6 | -64.6 | -57 | -169.4 | 176 | 9.3 | 111.9 | Y248 V249 R250 M254 E255 V256 | Y248-R252 HydrophobicContact CD1-CG 4.42Å; Y248-R252 HydrophobicContact CE1-CG 3.99Å; Y248-R252 WeakPolarHBondContact O-CG 3.28Å; Y248-R252 PolarHBondContact O-N 2.91Å; Y248-R252 VanDerWaalsContact O-N 3.15Å; Y248-R252 PolarHBondContact OH-NE 3.26Å; Y248-R252 PolarHBondContact OH-NH2 3.4Å; Y248-R252 VanDerWaalsContact OH-NH2 3.09Å; V249-R252 PolarHBondContact O-N 3.22Å; V249-R252 VanDerWaalsContact O-N 3.13Å; R250-R252 VanDerWaalsContact C-N 3.3Å; R250-R252 PolarHBondContact O-N 3.22Å; R252-M254 VanDerWaalsContact C-N 3.28Å; R252-M254 PolarHBondContact O-N 3Å; R252-E255 IonicContact NH1-OE1 3.3Å; R252-E255 IonicContact NH1-OE2 2.75Å; R252-E255 PolarHBondContact NH1-OE2 3.48Å; R252-E255 WeakPolarHBondContact O-CB 3.35Å; R252-E255 PolarHBondContact O-N 3.38Å; R252-E255 VanDerWaalsContact O-N 3.15Å; R252-V256 PolarHBondContact O-N 3.13Å |
| 253 | L | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -30 | 175.5 | -65.4 | -179.3 | 0 | 0 | 0 | 112.4 | V249 R250 E255 V256 Y257 I261 L267 L283 L286 | V249-L253 HydrophobicContact CG1-CD1 3.94Å; V249-L253 HydrophobicContact CG1-CG 4.16Å; V249-L253 WeakPolarHBondContact O-CG 3.5Å; V249-L253 PolarHBondContact O-N 3.09Å; R250-L253 PolarHBondContact O-N 3.06Å; L253-E255 VanDerWaalsContact C-N 3.28Å; L253-E255 PolarHBondContact O-N 2.86Å; L253-V256 PolarHBondContact O-N 3.27Å; L253-Y257 HydrophobicContact CB-CD2 4.34Å; L253-Y257 HydrophobicContact CD2-CD2 4.42Å; L253-Y257 HydrophobicContact CD2-CE2 4.08Å; L253-Y257 WeakPolarHBondContact O-CB 2.89Å; L253-Y257 WeakPolarHBondContact O-CD2 2.96Å; L253-Y257 PolarHBondContact O-N 3.13Å; L253-I261 HydrophobicContact CB-CD1 3.52Å; L253-L267 HydrophobicContact CD1-CD2 3.91Å; L253-L283 HydrophobicContact CD1-CD1 4.2Å; L253-L283 HydrophobicContact CD2-CD2 4.3Å; L253-L286 HydrophobicContact CD2-CD1 4.15Å |
| 254 | M | 97.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 40.5 Ų | 40.5 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -32.3 | 172.5 | -71.9 | 167.3 | 66.7 | 0 | 0 | 112.8 | R250 S251 R252 V256 Y257 I261 | R250-M254 HydrophobicContact CG-SD 4.27Å; R250-M254 VanDerWaalsContact O-CG 3.26Å; R250-M254 WeakPolarHBondContact O-CG 3.45Å; R250-M254 PolarHBondContact O-N 3.03Å; S251-M254 WeakPolarHBondContact O-CB 3.44Å; S251-M254 PolarHBondContact O-N 3.39Å; R252-M254 VanDerWaalsContact C-N 3.28Å; R252-M254 PolarHBondContact O-N 3Å; M254-V256 VanDerWaalsContact C-N 3.34Å; M254-Y257 CarbonylContact O-C 3.59Å; M254-I261 HydrophobicContact CG-CB 3.81Å; M254-I261 HydrophobicContact CG-CG2 3.89Å |
| 255 | E | 96.7 | Very high | 96.5 | Very high | 126 Ų | 126 | 39.3 Ų | 39.3 | 59% | 0.589 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.3 | -36 | 174.6 | -65.6 | 167.7 | -166.2 | 0 | 0 | 111.1 | S251 R252 L253 | S251-E255 PolarHBondContact O-N 3.01Å; R252-E255 IonicContact NH1-OE1 3.3Å; R252-E255 IonicContact NH1-OE2 2.75Å; R252-E255 PolarHBondContact NH1-OE2 3.48Å; R252-E255 WeakPolarHBondContact O-CB 3.35Å; R252-E255 PolarHBondContact O-N 3.38Å; R252-E255 VanDerWaalsContact O-N 3.15Å; L253-E255 VanDerWaalsContact C-N 3.28Å; L253-E255 PolarHBondContact O-N 2.86Å |
| 256 | V | 96.5 | Very high | 96.5 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 30% | 0.297 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -79.1 | -38.9 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | R252 L253 M254 P258 L286 | R252-V256 PolarHBondContact O-N 3.13Å; L253-V256 PolarHBondContact O-N 3.27Å; M254-V256 VanDerWaalsContact C-N 3.34Å; V256-P258 VanDerWaalsContact C-CD 3.44Å; V256-P258 VanDerWaalsContact O-CD 3.25Å; V256-P258 WeakPolarHBondContact O-CD 3.48Å; V256-L286 HydrophobicContact CG2-CB 4.34Å; V256-L286 HydrophobicContact CG2-CD1 4.49Å; V256-L286 HydrophobicContact CG2-CD2 4.19Å |
| 257 | Y | 95.5 | Very high | 96.5 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -120.2 | 68.6 | -174.6 | -55.7 | -75 | 0 | 0 | 0 | 111.3 | R160 Y162 L253 M254 G259 Y260 I261 L271 | R160-Y257 WeakPolarHBondContact O-CE1 3.48Å; Y162-Y257 HydrophobicContact CD2-CD1 4.29Å; L253-Y257 HydrophobicContact CB-CD2 4.34Å; L253-Y257 HydrophobicContact CD2-CD2 4.42Å; L253-Y257 HydrophobicContact CD2-CE2 4.08Å; L253-Y257 WeakPolarHBondContact O-CB 2.89Å; L253-Y257 WeakPolarHBondContact O-CD2 2.96Å; L253-Y257 PolarHBondContact O-N 3.13Å; M254-Y257 CarbonylContact O-C 3.59Å; Y257-G259 PolarHBondContact O-N 3.15Å; Y257-Y260 PolarHBondContact O-N 3.45Å; Y257-I261 HydrophobicContact CD2-CD1 4.45Å; Y257-L271 HydrophobicContact CD1-CD2 4.42Å; Y257-L271 HydrophobicContact CD2-CD1 3.87Å; Y257-L271 HydrophobicContact CD2-CD2 4.47Å; Y257-L271 HydrophobicContact CE1-CD2 3.99Å; Y257-L271 HydrophobicContact CE2-CB 4.42Å; Y257-L271 HydrophobicContact CE2-CD1 4.19Å; Y257-L271 HydrophobicContact CE2-CD2 4.08Å; Y257-L271 HydrophobicContact CE2-CG 4.47Å; Y257-L271 HydrophobicContact CG-CD1 4.09Å |
| 258 | P | 93.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 130.1 | -175.5 | 26.2 | -34.8 | 0 | 0 | 0 | 111.5 | V256 Y260 | V256-P258 VanDerWaalsContact C-CD 3.44Å; V256-P258 VanDerWaalsContact O-CD 3.25Å; V256-P258 WeakPolarHBondContact O-CD 3.48Å; P258-Y260 VanDerWaalsContact C-N 3.32Å; P258-Y260 WeakPolarHBondContact O-CD2 3.21Å; P258-Y260 PolarHBondContact O-N 2.96Å |
| 259 | G | 89.9 | Confident | 96.4 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 86% | 0.856 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85 | -6.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y257 | Y257-G259 PolarHBondContact O-N 3.15Š|
| 260 | Y | 91.3 | Very high | 96.4 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -13.3 | -178.1 | -71 | -79.6 | 0 | 0 | 0 | 114.6 | Y162 E163 Y257 P258 | Y162-Y260 AromaticContact CD1-CD1 3.78Å; Y162-Y260 HydrophobicContact CD1-CD1 3.78Å; Y162-Y260 AromaticContact CD1-CE1 3.49Å; Y162-Y260 HydrophobicContact CD1-CE1 3.49Å; Y162-Y260 VanDerWaalsContact CD1-CE1 3.49Å; Y162-Y260 HydrophobicContact CD1-CG 4.47Å; Y162-Y260 AromaticContact CD2-CD1 3.67Å; Y162-Y260 HydrophobicContact CD2-CD1 3.67Å; Y162-Y260 HydrophobicContact CD2-CD2 4.16Å; Y162-Y260 HydrophobicContact CD2-CE1 4.16Å; Y162-Y260 AromaticContact CD2-CG 3.64Å; Y162-Y260 HydrophobicContact CD2-CG 3.64Å; Y162-Y260 AromaticContact CE1-CD1 3.56Å; Y162-Y260 HydrophobicContact CE1-CD1 3.56Å; Y162-Y260 AromaticContact CE1-CE1 3.55Å; Y162-Y260 HydrophobicContact CE1-CE1 3.55Å; Y162-Y260 HydrophobicContact CE1-CG 4.5Å; Y162-Y260 AromaticContact CE2-CD1 3.44Å; Y162-Y260 HydrophobicContact CE2-CD1 3.44Å; Y162-Y260 VanDerWaalsContact CE2-CD1 3.44Å; Y162-Y260 HydrophobicContact CE2-CE1 4.19Å; Y162-Y260 AromaticContact CE2-CG 3.65Å; Y162-Y260 HydrophobicContact CE2-CG 3.65Å; Y162-Y260 AromaticContact CG-CD1 3.84Å; Y162-Y260 HydrophobicContact CG-CD1 3.84Å; Y162-Y260 HydrophobicContact CG-CD2 4.34Å; Y162-Y260 AromaticContact CG-CE1 3.83Å; Y162-Y260 HydrophobicContact CG-CE1 3.83Å; Y162-Y260 HydrophobicContact CG-CE2 4.36Å; Y162-Y260 HydrophobicContact CG-CG 4.07Å; Y162-Y260 AromaticContact CZ-CD1 3.39Å; Y162-Y260 AromaticContact CZ-CE1 3.91Å; E163-Y260 PolarHBondContact OE1-OH 2.85Å; E163-Y260 VanDerWaalsContact OE1-OH 3.09Å; Y257-Y260 PolarHBondContact O-N 3.45Å; P258-Y260 VanDerWaalsContact C-N 3.32Å; P258-Y260 WeakPolarHBondContact O-CD2 3.21Å; P258-Y260 PolarHBondContact O-N 2.96Å |
| 261 | I | 95.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -128.5 | 125.7 | -175.3 | -53.8 | 177.9 | 0 | 0 | 0 | 109.6 | R250 L253 M254 Y257 L267 P268 L271 | R250-I261 HydrophobicContact CG-CG2 3.82Å; L253-I261 HydrophobicContact CB-CD1 3.52Å; M254-I261 HydrophobicContact CG-CB 3.81Å; M254-I261 HydrophobicContact CG-CG2 3.89Å; Y257-I261 HydrophobicContact CD2-CD1 4.45Å; I261-L267 HydrophobicContact CG2-CD2 4.43Å; I261-P268 HydrophobicContact CG1-CG 4.11Å; I261-L271 HydrophobicContact CD1-CD1 3.98Å; I261-L271 HydrophobicContact CG1-CD1 4.3Å |
| 262 | D | 95.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | trans | -76.8 | 135.2 | 175 | -176 | -82.2 | 0 | 0 | 0 | 111.1 | R250 Q264 G265 V618 | R250-D262 WeakPolarHBondContact CD-O 3.42Å; D262-Q264 PolarHBondContact O-N 3.06Å; D262-Q264 VanDerWaalsContact O-N 3.08Å; D262-Q264 WeakPolarHBondContact OD1-CA 2.89Å; D262-Q264 PolarHBondContact OD1-N 3.03Å; D262-G265 PolarHBondContact O-N 3.15Å; D262-G265 VanDerWaalsContact O-N 3.11Å; D262-G265 PolarHBondContact OD1-N 2.97Å; D262-V618 HydrophobicContact CB-CG1 3.55Å | ||
| 263 | S | 95.9 | Very high | 96.2 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.3 | -177.4 | 65.2 | 0 | 0 | 0 | 0 | 115.4 | R250 | R250-S263 PolarHBondContact NE-O 3.13Å; R250-S263 VanDerWaalsContact NE-O 3.15Å; R250-S263 PolarHBondContact NH2-O 2.06Å |
| 264 | Q | 96.1 | Very high | 96 | Very high | 77 Ų | 77 | 37.7 Ų | 37.7 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 4.2 | 179.7 | -56.3 | -171 | -16.9 | 0 | 0 | 112.2 | D262 A611 W614 K615 | D262-Q264 PolarHBondContact O-N 3.06Å; D262-Q264 VanDerWaalsContact O-N 3.08Å; D262-Q264 WeakPolarHBondContact OD1-CA 2.89Å; D262-Q264 PolarHBondContact OD1-N 3.03Å; Q264-A611 HydrophobicContact CG-CB 3.88Å; Q264-W614 CarbonylContact O-C 3.56Å; Q264-W614 VanDerWaalsContact O-CA 3.27Å; Q264-W614 WeakPolarHBondContact O-CA 3.31Å; Q264-K615 HydrophobicContact CB-CD 4.28Å; Q264-K615 PolarHBondContact O-N 2.93Å; Q264-K615 VanDerWaalsContact OE1-CE 3.23Å |
| 265 | G | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -93.2 | 170.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R250 D262 | R250-G265 VanDerWaalsContact CD-O 3.25Å; R250-G265 WeakPolarHBondContact CD-O 3.42Å; R250-G265 PolarHBondContact NH1-O 2.96Å; D262-G265 PolarHBondContact O-N 3.15Å; D262-G265 VanDerWaalsContact O-N 3.11Å; D262-G265 PolarHBondContact OD1-N 2.97Å |
| 266 | P | 98.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 162.7 | 166.7 | 27.5 | -34.2 | 0 | 0 | 0 | 112 | G492 V494 K615 V618 | P266-G492 CarbonylContact C-O 3.57Å; P266-G492 WeakPolarHBondContact CA-O 3.49Å; P266-G492 VanDerWaalsContact CB-C 3.42Å; P266-G492 WeakPolarHBondContact CB-O 3.45Å; P266-V494 HydrophobicContact CB-CB 3.93Å; P266-V494 HydrophobicContact CB-CG1 3.99Å; P266-V494 HydrophobicContact CG-CB 3.51Å; P266-V494 HydrophobicContact CG-CG1 3.63Å; P266-V494 HydrophobicContact CG-CG2 4.36Å; P266-K615 VanDerWaalsContact CD-O 3.31Å; P266-K615 WeakPolarHBondContact CD-O 3.2Å; P266-V618 WeakPolarHBondContact CD-O 3.14Å; P266-V618 WeakPolarHBondContact CG-O 3.41Å |
| 267 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135.5 | 176.1 | -71.6 | 172.5 | 0 | 0 | 0 | 111.3 | V249 R250 L253 I261 A269 L272 W280 G492 V493 V494 | V249-L267 HydrophobicContact CG1-CD1 4.36Å; R250-L267 HydrophobicContact CB-CD2 3.72Å; R250-L267 HydrophobicContact CB-CG 4.45Å; R250-L267 HydrophobicContact CG-CD2 3.89Å; L253-L267 HydrophobicContact CD1-CD2 3.91Å; I261-L267 HydrophobicContact CG2-CD2 4.43Å; L267-A269 PolarHBondContact O-N 3.37Å; L267-L272 HydrophobicContact CB-CD2 3.91Å; L267-L272 HydrophobicContact CD1-CD2 3.81Å; L267-L272 HydrophobicContact CG-CD2 4.44Å; L267-W280 HydrophobicContact CD1-CH2 3.76Å; L267-W280 HydrophobicContact CD1-CZ2 4.01Å; L267-W280 HydrophobicContact CD1-CZ3 4.33Å; L267-G492 PolarHBondContact N-O 2.87Å; L267-V493 CarbonylContact O-C 3.22Å; L267-V493 VanDerWaalsContact O-CA 3.28Å; L267-V493 WeakPolarHBondContact O-CA 3.38Å; L267-V493 WeakPolarHBondContact O-CG1 3.44Å; L267-V494 PolarHBondContact O-N 2.77Å |
| 268 | P | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 127.9 | 172.8 | -23 | 34 | 0 | 0 | 0 | 112.3 | I261 H270 L271 | I261-P268 HydrophobicContact CG1-CG 4.11Å; P268-H270 PolarHBondContact O-N 2.81Å; P268-L271 HydrophobicContact CB-CD1 4.04Å; P268-L271 HydrophobicContact CB-CG 4.2Å; P268-L271 HydrophobicContact CG-CD1 4.06Å; P268-L271 PolarHBondContact O-N 3.45Å |
| 269 | A | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -59.6 | -25.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | W169 L267 L271 W484 V493 V494 | W169-A269 HydrophobicContact CZ2-CB 3.72Å; L267-A269 PolarHBondContact O-N 3.37Å; A269-L271 VanDerWaalsContact C-N 3.32Å; A269-W484 HydrophobicContact CB-CH2 3.89Å; A269-W484 HydrophobicContact CB-CZ3 4.25Å; A269-V493 HydrophobicContact CB-CG1 3.61Å; A269-V494 WeakPolarHBondContact CB-O 3.43Å; A269-V494 PolarHBondContact N-O 3Å |
| 270 | H | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -83.1 | -5.7 | -178.4 | 64.5 | -73.1 | 0 | 0 | 0 | 113.3 | M156 Y162 R165 W169 P268 P496 | M156-H270 HydrophobicContact CE-CB 4.33Å; M156-H270 WeakPolarHBondContact CE-O 3.4Å; Y162-H270 AromaticContact CD2-NE2 3.51Å; Y162-H270 AromaticContact CE1-NE2 3.71Å; Y162-H270 AromaticContact CE2-CE1 3.5Å; Y162-H270 VanDerWaalsContact CE2-CE1 3.5Å; Y162-H270 WeakPolarHBondContact CE2-CE1 3.32Å; Y162-H270 AromaticContact CE2-NE2 3.16Å; Y162-H270 WeakPolarHBondContact CE2-NE2 3.43Å; Y162-H270 AromaticContact CG-NE2 3.92Å; Y162-H270 AromaticContact CZ-CE1 3.44Å; Y162-H270 VanDerWaalsContact CZ-CE1 3.44Å; Y162-H270 AromaticContact CZ-NE2 3.27Å; Y162-H270 VanDerWaalsContact CZ-NE2 3.27Å; Y162-H270 PolarHBondContact OH-CE1 3.4Å; R165-H270 VanDerWaalsContact CZ-O 3.29Å; R165-H270 PolarHBondContact NE-O 3.41Å; R165-H270 PolarHBondContact NH2-O 3.05Å; W169-H270 HydrophobicContact CB-CB 3.59Å; W169-H270 HydrophobicContact CD2-CB 4.07Å; W169-H270 HydrophobicContact CG-CB 3.5Å; P268-H270 PolarHBondContact O-N 2.81Å; H270-P496 VanDerWaalsContact ND1-CB 3.34Å; H270-P496 WeakPolarHBondContact ND1-CB 3.29Å; H270-P496 WeakPolarHBondContact ND1-CG 3.39Å |
| 271 | L | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -103.3 | 15.4 | -176.3 | -57 | -177.6 | 0 | 0 | 0 | 113.7 | Y162 Y257 I261 P268 A269 L283 | Y162-L271 HydrophobicContact CD2-CD1 3.91Å; Y162-L271 HydrophobicContact CD2-CD2 3.95Å; Y162-L271 HydrophobicContact CD2-CG 4.4Å; Y162-L271 HydrophobicContact CE2-CD1 3.92Å; Y162-L271 HydrophobicContact CE2-CD2 4.45Å; Y162-L271 HydrophobicContact CE2-CG 4.47Å; Y257-L271 HydrophobicContact CD1-CD2 4.42Å; Y257-L271 HydrophobicContact CD2-CD1 3.87Å; Y257-L271 HydrophobicContact CD2-CD2 4.47Å; Y257-L271 HydrophobicContact CE1-CD2 3.99Å; Y257-L271 HydrophobicContact CE2-CB 4.42Å; Y257-L271 HydrophobicContact CE2-CD1 4.19Å; Y257-L271 HydrophobicContact CE2-CD2 4.08Å; Y257-L271 HydrophobicContact CE2-CG 4.47Å; Y257-L271 HydrophobicContact CG-CD1 4.09Å; I261-L271 HydrophobicContact CD1-CD1 3.98Å; I261-L271 HydrophobicContact CG1-CD1 4.3Å; P268-L271 HydrophobicContact CB-CD1 4.04Å; P268-L271 HydrophobicContact CB-CG 4.2Å; P268-L271 HydrophobicContact CG-CD1 4.06Å; P268-L271 PolarHBondContact O-N 3.45Å; A269-L271 VanDerWaalsContact C-N 3.32Å; L271-L283 WeakPolarHBondContact O-CD2 3.25Å |
| 272 | L | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -99.9 | 14 | -165.8 | -62.3 | -179.9 | 0 | 0 | 0 | 114.9 | L267 D274 G277 F279 W280 V493 | L267-L272 HydrophobicContact CB-CD2 3.91Å; L267-L272 HydrophobicContact CD1-CD2 3.81Å; L267-L272 HydrophobicContact CG-CD2 4.44Å; L272-D274 VanDerWaalsContact C-N 3.34Å; L272-D274 PolarHBondContact O-N 2.99Å; L272-G277 VanDerWaalsContact CB-CA 3.46Å; L272-F279 VanDerWaalsContact O-O 3.08Å; L272-W280 HydrophobicContact CD2-CZ2 4.24Å; L272-V493 HydrophobicContact CD1-CB 4.36Å; L272-V493 HydrophobicContact CD1-CG1 3.74Å; L272-V493 HydrophobicContact CD1-CG2 3.61Å |
| 273 | G | 95.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 88 | -11.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M156 S157 N282 | M156-G273 CarbonylContact O-C 3.54Å; M156-G273 VanDerWaalsContact O-C 3.22Å; M156-G273 VanDerWaalsContact O-O 3.1Å; S157-G273 WeakPolarHBondContact CA-O 3.48Å; G273-N282 WeakPolarHBondContact O-CB 3.46Å; G273-N282 PolarHBondContact O-ND2 2.98Å |
| 274 | D | 95.1 | Very high | 96.4 | Very high | 25 Ų | 25 | 17.5 Ų | 17.5 | 13% | 0.134 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -142.6 | -174.7 | 168.8 | 72.4 | 38 | 0 | 0 | 0 | 111 | M156 L272 W276 G277 R278 F279 | M156-D274 WeakPolarHBondContact CE-O 3.31Å; L272-D274 VanDerWaalsContact C-N 3.34Å; L272-D274 PolarHBondContact O-N 2.99Å; D274-W276 VanDerWaalsContact C-N 3.27Å; D274-W276 PolarHBondContact O-N 3.49Å; D274-W276 WeakPolarHBondContact OD1-CA 3.45Å; D274-W276 PolarHBondContact OD1-N 2.75Å; D274-G277 WeakPolarHBondContact OD1-CA 3.2Å; D274-G277 PolarHBondContact OD1-N 3.47Å; D274-R278 PolarHBondContact OD1-N 3.03Å; D274-R278 VanDerWaalsContact OD1-N 3.13Å; D274-R278 WeakPolarHBondContact OD2-CB 3.18Å; D274-R278 PolarHBondContact OD2-N 3.35Å; D274-F279 PolarHBondContact OD2-N 3.26Å |
| 275 | M | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -64.9 | -23.1 | -177.6 | 178.5 | 57.6 | 76.4 | 0 | 0 | 114.2 | L148 L152 M156 V168 W169 W172 R173 | L148-M275 HydrophobicContact CD1-CB 4.35Å; L148-M275 HydrophobicContact CD1-CE 3.85Å; L148-M275 HydrophobicContact CD1-CG 4.21Å; L152-M275 HydrophobicContact CB-CE 4.17Å; M156-M275 HydrophobicContact CG-CE 3.97Å; M156-M275 HydrophobicContact CG-SD 4.45Å; V168-M275 HydrophobicContact CG1-CE 3.65Å; W169-M275 PolarHBondContact NE1-O 3.12Å; W172-M275 HydrophobicContact CB-CE 3.74Å; W172-M275 HydrophobicContact CB-SD 3.78Å; W172-M275 HydrophobicContact CG-CE 3.91Å; W172-M275 HydrophobicContact CG-CG 4.38Å; W172-M275 HydrophobicContact CG-SD 3.94Å; R173-M275 PolarHBondContact NH1-O 3.25Å; R173-M275 PolarHBondContact NH1-SD 3.48Å; R173-M275 VanDerWaalsContact NH1-SD 3.36Å; R173-M275 PolarHBondContact NH2-O 3.4Å |
| 276 | W | 97.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 19.3 Ų | 19.3 | 11% | 0.11 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -126.2 | -13.1 | -171.2 | -49.1 | -85.6 | 0 | 0 | 0 | 114.6 | Y131 L148 D274 F458 A508 L509 | Y131-W276 HydrophobicContact CE2-CZ2 4.38Å; Y131-W276 WeakPolarHBondContact OH-CH2 3.31Å; Y131-W276 WeakPolarHBondContact OH-CZ2 3.5Å; L148-W276 HydrophobicContact CD2-CH2 3.84Å; L148-W276 HydrophobicContact CD2-CZ2 3.91Å; D274-W276 VanDerWaalsContact C-N 3.27Å; D274-W276 PolarHBondContact O-N 3.49Å; D274-W276 WeakPolarHBondContact OD1-CA 3.45Å; D274-W276 PolarHBondContact OD1-N 2.75Å; W276-F458 HydrophobicContact CB-CE2 3.92Å; W276-F458 HydrophobicContact CB-CZ 4.03Å; W276-F458 WeakPolarHBondContact O-CE2 3.19Å; W276-A508 PolarHBondContact NE1-O 3.07Å; W276-L509 HydrophobicContact CB-CD1 4.34Å; W276-L509 HydrophobicContact CD2-CD1 4.12Å; W276-L509 HydrophobicContact CD2-CG 4.42Å; W276-L509 HydrophobicContact CG-CD1 4Å |
| 277 | G | 96.8 | Very high | 96 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 68.4 | 39.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L272 D274 F458 | L272-G277 VanDerWaalsContact CB-CA 3.46Å; D274-G277 WeakPolarHBondContact OD1-CA 3.2Å; D274-G277 PolarHBondContact OD1-N 3.47Å; G277-F458 WeakPolarHBondContact O-CD2 3.35Å |
| 278 | R | 95.1 | Very high | 95.9 | Very high | 39 Ų | 39 | 20.7 Ų | 20.7 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -71.7 | -50.5 | 175.3 | -178.8 | -176.5 | -179.4 | -171.6 | 0.9 | 109.8 | D274 T455 F458 H511 | D274-R278 PolarHBondContact OD1-N 3.03Å; D274-R278 VanDerWaalsContact OD1-N 3.13Å; D274-R278 WeakPolarHBondContact OD2-CB 3.18Å; D274-R278 PolarHBondContact OD2-N 3.35Å; R278-T455 VanDerWaalsContact O-CA 3.3Å; R278-T455 WeakPolarHBondContact O-CA 3.13Å; R278-T455 WeakPolarHBondContact O-CB 3.41Å; R278-T455 PolarHBondContact O-OG1 2.92Å; R278-F458 HydrophobicContact CB-CD1 4.36Å; R278-F458 HydrophobicContact CB-CE1 4.13Å; R278-F458 HydrophobicContact CB-CZ 4.24Å; R278-F458 HydrophobicContact CG-CD1 4.18Å; R278-F458 HydrophobicContact CG-CE1 4.09Å; R278-H511 PolarHBondContact NH1-CE1 3.41Å |
| 279 | F | 94.1 | Very high | 95.8 | Very high | 63 Ų | 63 | 21.3 Ų | 21.3 | 28% | 0.276 | 11% | 0.114 | S | C | . | . | trans | -120.9 | 141.5 | 175.9 | -59 | -68 | 0 | 0 | 0 | 110.3 | L272 D274 T451 T455 | L272-F279 VanDerWaalsContact O-O 3.08Å; D274-F279 PolarHBondContact OD2-N 3.26Å; F279-T451 HydrophobicContact CD1-CG2 4.1Å; F279-T451 WeakPolarHBondContact CD1-O 3.26Å; F279-T451 HydrophobicContact CE1-CG2 4.43Å; F279-T455 HydrophobicContact CD1-CG2 4.27Å; F279-T455 HydrophobicContact CE1-CG2 3.92Å | ||
| 280 | W | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | trans | -100.5 | 12.8 | 176.9 | -64.2 | -0.6 | 0 | 0 | 0 | 112.2 | Y242 H246 V249 L267 L272 N282 L283 L450 A454 | Y242-W280 AromaticContact CE2-CH2 3.82Å; Y242-W280 HydrophobicContact CE2-CH2 3.82Å; Y242-W280 HydrophobicContact CE2-CZ2 4.27Å; Y242-W280 HydrophobicContact CE2-CZ3 4.31Å; Y242-W280 AromaticContact CZ-CH2 3.89Å; Y242-W280 WeakPolarHBondContact OH-CH2 3.42Å; Y242-W280 WeakPolarHBondContact OH-CZ2 3.43Å; H246-W280 HydrophobicContact CB-CH2 4.42Å; H246-W280 AromaticContact CD2-CH2 3.86Å; V249-W280 HydrophobicContact CB-CE3 4.35Å; V249-W280 HydrophobicContact CB-CZ3 4.15Å; V249-W280 HydrophobicContact CG1-CE3 4.1Å; V249-W280 HydrophobicContact CG1-CZ3 4.2Å; V249-W280 HydrophobicContact CG2-CE3 4.07Å; V249-W280 HydrophobicContact CG2-CZ3 4.17Å; L267-W280 HydrophobicContact CD1-CH2 3.76Å; L267-W280 HydrophobicContact CD1-CZ2 4.01Å; L267-W280 HydrophobicContact CD1-CZ3 4.33Å; L272-W280 HydrophobicContact CD2-CZ2 4.24Å; W280-N282 PolarHBondContact O-N 3.47Å; W280-L283 HydrophobicContact CB-CD1 3.93Å; W280-L283 HydrophobicContact CB-CG 4.21Å; W280-L283 HydrophobicContact CD2-CD1 4.4Å; W280-L283 HydrophobicContact CG-CD1 4.05Å; W280-L283 WeakPolarHBondContact O-CA 3.12Å; W280-L283 VanDerWaalsContact O-CB 3.22Å; W280-L283 WeakPolarHBondContact O-CB 3.39Å; W280-L283 PolarHBondContact O-N 2.95Å; W280-L450 WeakPolarHBondContact CA-O 3.41Å; W280-L450 HydrophobicContact CB-CB 4.14Å; W280-L450 HydrophobicContact CB-CD2 3.86Å; W280-L450 WeakPolarHBondContact CB-O 3.44Å; W280-L450 HydrophobicContact CE3-CD2 4.11Å; W280-L450 PolarHBondContact N-O 2.91Å; W280-A454 HydrophobicContact CB-CB 4.03Å; W280-A454 HydrophobicContact CD2-CB 3.55Å; W280-A454 HydrophobicContact CE3-CB 3.68Å; W280-A454 HydrophobicContact CG-CB 3.72Å; W280-A454 HydrophobicContact CZ3-CB 4.31Å | ||
| 281 | T | 91.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -51.8 | -43.3 | -177.2 | -45.1 | 0 | 0 | 0 | 0 | 112.1 | L283 Y284 T451 | T281-L283 PolarHBondContact O-N 3.28Å; T281-L283 VanDerWaalsContact O-N 3.1Å; T281-Y284 VanDerWaalsContact O-CB 3.28Å; T281-Y284 WeakPolarHBondContact O-CB 3.35Å; T281-Y284 PolarHBondContact O-N 2.89Å; T281-T451 WeakPolarHBondContact CG2-OG1 3.32Å; T281-T451 PolarHBondContact OG1-OG1 3.27Å |
| 282 | N | 92.5 | Very high | 95.1 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -69.6 | -5.7 | 179 | -63.9 | -35.4 | 0 | 0 | 0 | 114 | S157 G273 W280 | S157-N282 WeakPolarHBondContact CB-ND2 3.46Å; G273-N282 WeakPolarHBondContact O-CB 3.46Å; G273-N282 PolarHBondContact O-ND2 2.98Å; W280-N282 PolarHBondContact O-N 3.47Å |
| 283 | L | 96.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -86.7 | -6.6 | 171.1 | -53.3 | -172.7 | 0 | 0 | 0 | 112.9 | V249 L253 L271 W280 T281 L286 S287 | V249-L283 HydrophobicContact CG1-CD1 3.82Å; L253-L283 HydrophobicContact CD1-CD1 4.2Å; L253-L283 HydrophobicContact CD2-CD2 4.3Å; L271-L283 WeakPolarHBondContact O-CD2 3.25Å; W280-L283 HydrophobicContact CB-CD1 3.93Å; W280-L283 HydrophobicContact CB-CG 4.21Å; W280-L283 HydrophobicContact CD2-CD1 4.4Å; W280-L283 HydrophobicContact CG-CD1 4.05Å; W280-L283 WeakPolarHBondContact O-CA 3.12Å; W280-L283 VanDerWaalsContact O-CB 3.22Å; W280-L283 WeakPolarHBondContact O-CB 3.39Å; W280-L283 PolarHBondContact O-N 2.95Å; T281-L283 PolarHBondContact O-N 3.28Å; T281-L283 VanDerWaalsContact O-N 3.1Å; L283-L286 HydrophobicContact CD2-CD1 4.41Å; L283-L286 WeakPolarHBondContact O-CB 3.23Å; L283-L286 PolarHBondContact O-N 2.6Å; L283-S287 WeakPolarHBondContact O-CB 3.3Å; L283-S287 PolarHBondContact O-N 3.43Å; L283-S287 VanDerWaalsContact O-N 3.09Å; L283-S287 PolarHBondContact O-OG 3.39Å |
| 284 | Y | 94.3 | Very high | 94 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.1 | -47.1 | -179.3 | -179.7 | -105.8 | 0 | 0 | 0 | 113.1 | T281 L286 S287 V288 N443 K447 L450 | T281-Y284 VanDerWaalsContact O-CB 3.28Å; T281-Y284 WeakPolarHBondContact O-CB 3.35Å; T281-Y284 PolarHBondContact O-N 2.89Å; Y284-L286 PolarHBondContact O-N 3.43Å; Y284-L286 VanDerWaalsContact O-N 3.07Å; Y284-S287 PolarHBondContact O-N 3.04Å; Y284-V288 HydrophobicContact CE2-CB 4.45Å; Y284-V288 HydrophobicContact CE2-CG2 4.39Å; Y284-V288 PolarHBondContact O-N 3.43Å; Y284-N443 WeakPolarHBondContact CE2-O 3.41Å; Y284-K447 HydrophobicContact CD1-CD 4.15Å; Y284-K447 HydrophobicContact CD1-CG 4.39Å; Y284-K447 HydrophobicContact CD2-CB 3.66Å; Y284-K447 HydrophobicContact CD2-CG 4Å; Y284-K447 HydrophobicContact CE1-CD 4.15Å; Y284-K447 HydrophobicContact CE2-CB 3.65Å; Y284-K447 HydrophobicContact CE2-CG 4.28Å; Y284-K447 HydrophobicContact CG-CB 4.24Å; Y284-K447 HydrophobicContact CG-CD 4.32Å; Y284-K447 HydrophobicContact CG-CG 4.05Å; Y284-L450 HydrophobicContact CD2-CD1 4.25Å |
| 285 | P | 92.9 | Very high | 93.1 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 55% | 0.552 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.3 | -20.4 | 177.3 | -23 | 35.2 | 0 | 0 | 0 | 114.3 | ||
| 286 | L | 95.1 | Very high | 92.4 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -93.4 | -12.2 | 178.9 | -54.8 | -177.8 | 0 | 0 | 0 | 112.7 | L253 V256 L283 Y284 | L253-L286 HydrophobicContact CD2-CD1 4.15Å; V256-L286 HydrophobicContact CG2-CB 4.34Å; V256-L286 HydrophobicContact CG2-CD1 4.49Å; V256-L286 HydrophobicContact CG2-CD2 4.19Å; L283-L286 HydrophobicContact CD2-CD1 4.41Å; L283-L286 WeakPolarHBondContact O-CB 3.23Å; L283-L286 PolarHBondContact O-N 2.6Å; Y284-L286 PolarHBondContact O-N 3.43Å; Y284-L286 VanDerWaalsContact O-N 3.07Å |
| 287 | S | 95.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -130.7 | 2.2 | -169.6 | 62 | 0 | 0 | 0 | 0 | 114.4 | Y248 L283 Y284 P289 L446 | Y248-S287 WeakPolarHBondContact CE1-O 3.11Å; Y248-S287 PolarHBondContact OH-O 2.71Å; L283-S287 WeakPolarHBondContact O-CB 3.3Å; L283-S287 PolarHBondContact O-N 3.43Å; L283-S287 VanDerWaalsContact O-N 3.09Å; L283-S287 PolarHBondContact O-OG 3.39Å; Y284-S287 PolarHBondContact O-N 3.04Å; S287-P289 WeakPolarHBondContact O-CD 3.49Å; S287-L446 VanDerWaalsContact O-CD2 3.28Å; S287-L446 WeakPolarHBondContact O-CD2 3.48Å |
| 288 | V | 95.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | trans | -52.4 | 123.9 | 178 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | Y284 P291 | Y284-V288 HydrophobicContact CE2-CB 4.45Å; Y284-V288 HydrophobicContact CE2-CG2 4.39Å; Y284-V288 PolarHBondContact O-N 3.43Å; V288-P291 HydrophobicContact CG1-CB 3.88Å | ||
| 289 | P | 95.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -66.4 | -43.7 | -178.8 | -30.4 | 38.8 | 0 | 0 | 0 | 113.9 | S287 P291 I442 N443 L446 W600 | S287-P289 WeakPolarHBondContact O-CD 3.49Å; P289-P291 WeakPolarHBondContact O-CD 3.18Å; P289-I442 HydrophobicContact CB-CG2 4.15Å; P289-I442 HydrophobicContact CG-CG2 3.97Å; P289-N443 VanDerWaalsContact CD-OD1 3.28Å; P289-N443 WeakPolarHBondContact CD-OD1 3.39Å; P289-L446 VanDerWaalsContact CD-CD2 3.44Å; P289-L446 HydrophobicContact CG-CD2 3.77Å; P289-W600 HydrophobicContact CB-CH2 3.55Å; P289-W600 HydrophobicContact CB-CZ2 3.64Å; P289-W600 HydrophobicContact CB-CZ3 4.45Å; P289-W600 HydrophobicContact CG-CH2 3.66Å; P289-W600 HydrophobicContact CG-CZ2 4.18Å; P289-W600 HydrophobicContact CG-CZ3 4.11Å |
| 290 | Y | 95.7 | Very high | 91.2 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 25% | 0.247 | 27% | 0.269 | C | S | . | . | trans | -124.6 | 79.6 | -175.1 | -56.8 | -79.5 | 0 | 0 | 0 | 109.9 | D292 K293 E439 I442 N443 W600 | Y290-D292 PolarHBondContact O-N 3.34Å; Y290-K293 PolarHBondContact O-N 2.89Å; Y290-E439 HydrophobicContact CD1-CB 4.1Å; Y290-E439 HydrophobicContact CD1-CG 3.92Å; Y290-E439 HydrophobicContact CD2-CB 3.68Å; Y290-E439 HydrophobicContact CD2-CG 4.14Å; Y290-E439 WeakPolarHBondContact CD2-O 3.41Å; Y290-E439 HydrophobicContact CE1-CB 4.33Å; Y290-E439 HydrophobicContact CE1-CG 3.76Å; Y290-E439 VanDerWaalsContact CE1-OE1 3.29Å; Y290-E439 WeakPolarHBondContact CE1-OE1 3.42Å; Y290-E439 HydrophobicContact CE2-CB 3.98Å; Y290-E439 HydrophobicContact CE2-CG 4.03Å; Y290-E439 HydrophobicContact CG-CB 3.76Å; Y290-E439 HydrophobicContact CG-CG 4.1Å; Y290-I442 HydrophobicContact CD2-CG2 4.45Å; Y290-I442 HydrophobicContact CE2-CB 4.1Å; Y290-I442 HydrophobicContact CE2-CG2 3.95Å; Y290-N443 PolarHBondContact N-OD1 3.31Å; Y290-N443 PolarHBondContact O-ND2 2.91Å; Y290-W600 HydrophobicContact CE2-CZ2 4.23Å; Y290-W600 AromaticContact CE2-NE1 3.92Å; Y290-W600 AromaticContact CZ-NE1 3.81Å; Y290-W600 PolarHBondContact OH-NE1 2.75Å | ||
| 291 | P | 92.1 | Very high | 91 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.5 | -174.8 | 25.8 | -34.7 | 0 | 0 | 0 | 114.1 | V288 P289 K293 | V288-P291 HydrophobicContact CG1-CB 3.88Å; P289-P291 WeakPolarHBondContact O-CD 3.18Å; P291-K293 PolarHBondContact O-N 3.24Å |
| 292 | D | 91.1 | Very high | 91.2 | Very high | 164 Ų | 164 | 48.8 Ų | 48.8 | 88% | 0.877 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.2 | 179.2 | -59.8 | -40.3 | 0 | 0 | 0 | 112.9 | Y290 | Y290-D292 PolarHBondContact O-N 3.34Š|
| 293 | K | 89.1 | Confident | 91.3 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -83.1 | 146.8 | 174.9 | -66.8 | -70.3 | 175.5 | 164.9 | 0 | 110.5 | Y290 P291 D295 D437 E439 | Y290-K293 PolarHBondContact O-N 2.89Å; P291-K293 PolarHBondContact O-N 3.24Å; K293-D295 PolarHBondContact O-N 3.45Å; K293-D437 IonicContact NZ-OD1 2.62Å; K293-D437 IonicContact NZ-OD2 3.96Å; K293-D437 PolarHBondContact NZ-OD2 2.9Å; K293-E439 WeakPolarHBondContact CE-OE2 3.33Å; K293-E439 HydrophobicContact CG-CB 4.26Å; K293-E439 IonicContact NZ-OE2 3.79Å; K293-E439 PolarHBondContact NZ-OE2 2.89Å |
| 294 | P | 81.9 | Confident | 91.3 | Very high | 83 Ų | 83 | 57 Ų | 57 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 132.6 | 172.3 | -22.3 | 32.7 | 0 | 0 | 0 | 111 | F434 | P294-F434 HydrophobicContact CB-CE2 4.32Š|
| 295 | D | 76.6 | Confident | 91.4 | Very high | 74 Ų | 74 | 61 Ų | 61 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 143.4 | 171.5 | -160.5 | -24.6 | 0 | 0 | 0 | 109.2 | K293 D297 | K293-D295 PolarHBondContact O-N 3.45Å; D295-D297 HydrophobicContact CB-CB 4.28Å; D295-D297 PolarHBondContact O-N 3.28Å; D295-D297 WeakPolarHBondContact OD1-CB 3.3Å; D295-D297 PolarHBondContact OD1-N 3.42Å |
| 296 | I | 81.2 | Confident | 91.6 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -76.6 | -9.7 | 172.1 | -64.8 | 164.6 | 0 | 0 | 0 | 110.1 | V298 M372 P421 L424 F434 Y436 T440 F444 | I296-V298 PolarHBondContact O-N 2.85Å; I296-M372 HydrophobicContact CG2-CE 4.29Å; I296-P421 HydrophobicContact CD1-CG 3.97Å; I296-P421 HydrophobicContact CG1-CG 4.41Å; I296-P421 HydrophobicContact CG2-CG 4.39Å; I296-L424 HydrophobicContact CG2-CD1 3.81Å; I296-F434 HydrophobicContact CG1-CZ 4.25Å; I296-Y436 HydrophobicContact CD1-CE2 4.19Å; I296-T440 HydrophobicContact CD1-CG2 4.12Å; I296-T440 HydrophobicContact CG1-CG2 4.29Å; I296-F444 HydrophobicContact CD1-CB 3.51Å; I296-F444 HydrophobicContact CD1-CD2 3.83Å; I296-F444 HydrophobicContact CD1-CG 4.04Å |
| 297 | D | 85.9 | Confident | 91.7 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | trans | -59.9 | 104.2 | 169.9 | -159.8 | -38.1 | 0 | 0 | 0 | 112.7 | D295 S299 K447 | D295-D297 HydrophobicContact CB-CB 4.28Å; D295-D297 PolarHBondContact O-N 3.28Å; D295-D297 WeakPolarHBondContact OD1-CB 3.3Å; D295-D297 PolarHBondContact OD1-N 3.42Å; D297-S299 VanDerWaalsContact C-N 3.33Å; D297-S299 WeakPolarHBondContact OD1-CB 3.15Å; D297-S299 PolarHBondContact OD1-N 3.39Å; D297-S299 PolarHBondContact OD1-OG 2.91Å; D297-K447 IonicContact OD2-NZ 3.92Å; D297-K447 PolarHBondContact OD2-NZ 3.25Å | ||
| 298 | V | 90.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -87.8 | 5.9 | -178.6 | -71 | 0 | 0 | 0 | 0 | 113.6 | I296 N300 T301 M302 M372 L424 L429 L430 | I296-V298 PolarHBondContact O-N 2.85Å; V298-N300 VanDerWaalsContact C-N 3.33Å; V298-N300 PolarHBondContact O-N 3.37Å; V298-T301 WeakPolarHBondContact O-CB 3.27Å; V298-T301 PolarHBondContact O-N 3.34Å; V298-M302 HydrophobicContact CG2-CE 3.64Å; V298-M302 HydrophobicContact CG2-SD 4.36Å; V298-M302 WeakPolarHBondContact O-CG 3.43Å; V298-M302 PolarHBondContact O-N 3.35Å; V298-M372 HydrophobicContact CG2-CB 4.09Å; V298-M372 HydrophobicContact CG2-CG 3.94Å; V298-M372 HydrophobicContact CG2-SD 4.01Å; V298-L424 HydrophobicContact CG1-CD1 4.04Å; V298-L424 HydrophobicContact CG2-CD1 4.38Å; V298-L424 HydrophobicContact CG2-CD2 4.06Å; V298-L429 HydrophobicContact CB-CB 4.06Å; V298-L429 HydrophobicContact CG1-CB 3.83Å; V298-L429 HydrophobicContact CG2-CD1 4.22Å; V298-L430 HydrophobicContact CG1-CD2 3.82Å; V298-L430 HydrophobicContact CG1-CG 4.01Å | ||
| 299 | S | 91.5 | Very high | 91.8 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.7 | -47.3 | -176.9 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | D297 T301 M302 V303 N371 M372 | D297-S299 VanDerWaalsContact C-N 3.33Å; D297-S299 WeakPolarHBondContact OD1-CB 3.15Å; D297-S299 PolarHBondContact OD1-N 3.39Å; D297-S299 PolarHBondContact OD1-OG 2.91Å; S299-T301 VanDerWaalsContact C-N 3.31Å; S299-T301 PolarHBondContact O-N 3.02Å; S299-M302 PolarHBondContact O-N 3.29Å; S299-V303 WeakPolarHBondContact O-CG2 3.45Å; S299-V303 PolarHBondContact O-N 2.72Å; S299-V303 VanDerWaalsContact O-N 3.16Å; S299-N371 WeakPolarHBondContact OG-CA 3.46Å; S299-M372 PolarHBondContact OG-N 2.83Å |
| 300 | N | 90.7 | Very high | 91.8 | Very high | 120 Ų | 120 | 67.5 Ų | 67.5 | 64% | 0.642 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.2 | -38.1 | 178.8 | -72.1 | -38.4 | 0 | 0 | 0 | 111.9 | V298 V303 Q304 | V298-N300 VanDerWaalsContact C-N 3.33Å; V298-N300 PolarHBondContact O-N 3.37Å; N300-V303 PolarHBondContact O-N 3.44Å; N300-Q304 WeakPolarHBondContact O-CB 3.34Å; N300-Q304 WeakPolarHBondContact O-CG 3.49Å; N300-Q304 PolarHBondContact O-N 2.92Å |
| 301 | T | 93.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 69.5 Ų | 69.5 | 24% | 0.239 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 178 | -54 | 0 | 0 | 0 | 0 | 111.4 | V298 S299 V303 Q304 Q305 L429 | V298-T301 WeakPolarHBondContact O-CB 3.27Å; V298-T301 PolarHBondContact O-N 3.34Å; S299-T301 VanDerWaalsContact C-N 3.31Å; S299-T301 PolarHBondContact O-N 3.02Å; T301-V303 VanDerWaalsContact C-N 3.34Å; T301-V303 PolarHBondContact O-N 3.2Å; T301-Q304 PolarHBondContact O-N 2.67Å; T301-Q305 HydrophobicContact CG2-CG 4.2Å; T301-Q305 VanDerWaalsContact CG2-NE2 3.26Å; T301-Q305 WeakPolarHBondContact O-CB 3.38Å; T301-Q305 WeakPolarHBondContact O-CG 3.31Å; T301-Q305 PolarHBondContact O-N 3.47Å; T301-L429 HydrophobicContact CG2-CD2 4.39Å; T301-L429 WeakPolarHBondContact CG2-O 3.19Å |
| 302 | M | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.3 | -48.1 | 175.3 | -70 | 170 | 170.6 | 0 | 0 | 111.1 | V298 S299 Q305 G306 W307 F312 V370 F375 L429 | V298-M302 HydrophobicContact CG2-CE 3.64Å; V298-M302 HydrophobicContact CG2-SD 4.36Å; V298-M302 WeakPolarHBondContact O-CG 3.43Å; V298-M302 PolarHBondContact O-N 3.35Å; S299-M302 PolarHBondContact O-N 3.29Å; M302-Q305 PolarHBondContact O-N 2.87Å; M302-G306 PolarHBondContact O-N 3.19Å; M302-W307 HydrophobicContact CB-CB 4.14Å; M302-W307 HydrophobicContact CB-CG 4.25Å; M302-W307 HydrophobicContact CE-CZ3 4.46Å; M302-W307 HydrophobicContact CG-CD2 4.26Å; M302-W307 HydrophobicContact CG-CE3 4.26Å; M302-W307 HydrophobicContact CG-CG 4.46Å; M302-W307 WeakPolarHBondContact O-CB 2.91Å; M302-W307 PolarHBondContact O-N 3.45Å; M302-F312 HydrophobicContact CE-CE1 4.48Å; M302-F312 HydrophobicContact CE-CZ 4.36Å; M302-F312 HydrophobicContact SD-CE1 3.94Å; M302-F312 HydrophobicContact SD-CZ 3.59Å; M302-F312 VanDerWaalsContact SD-CZ 3.59Å; M302-V370 HydrophobicContact CB-CG1 3.84Å; M302-F375 HydrophobicContact CE-CB 3.61Å; M302-F375 HydrophobicContact CE-CD1 3.96Å; M302-F375 HydrophobicContact CE-CD2 3.86Å; M302-F375 HydrophobicContact CE-CG 3.53Å; M302-F375 HydrophobicContact SD-CB 4.41Å; M302-L429 HydrophobicContact CB-CD2 4.49Å; M302-L429 HydrophobicContact CE-CD1 3.61Å; M302-L429 HydrophobicContact CG-CD1 4.34Å; M302-L429 HydrophobicContact CG-CD2 3.58Å |
| 303 | V | 96 | Very high | 92.6 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.2 | -45.9 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | S299 N300 T301 Q305 G306 V370 | S299-V303 WeakPolarHBondContact O-CG2 3.45Å; S299-V303 PolarHBondContact O-N 2.72Å; S299-V303 VanDerWaalsContact O-N 3.16Å; N300-V303 PolarHBondContact O-N 3.44Å; T301-V303 VanDerWaalsContact C-N 3.34Å; T301-V303 PolarHBondContact O-N 3.2Å; V303-Q305 VanDerWaalsContact C-N 3.32Å; V303-Q305 PolarHBondContact O-N 3.44Å; V303-G306 PolarHBondContact O-N 3Å; V303-G306 VanDerWaalsContact O-N 3.08Å; V303-V370 HydrophobicContact CG2-CB 4.36Å; V303-V370 HydrophobicContact CG2-CG1 3.9Å |
| 304 | Q | 95.9 | Very high | 93 | Very high | 159 Ų | 159 | 58.4 Ų | 58.4 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64 | -35 | 179.5 | -74.3 | 171.8 | 17.8 | 0 | 0 | 113.2 | N300 T301 G306 | N300-Q304 WeakPolarHBondContact O-CB 3.34Å; N300-Q304 WeakPolarHBondContact O-CG 3.49Å; N300-Q304 PolarHBondContact O-N 2.92Å; T301-Q304 PolarHBondContact O-N 2.67Å; Q304-G306 PolarHBondContact O-N 3.39Å |
| 305 | Q | 96.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 55 Ų | 55 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.6 | 176 | -69.5 | -174.5 | 17.7 | 0 | 0 | 113.2 | T301 M302 V303 W307 G428 | T301-Q305 HydrophobicContact CG2-CG 4.2Å; T301-Q305 VanDerWaalsContact CG2-NE2 3.26Å; T301-Q305 WeakPolarHBondContact O-CB 3.38Å; T301-Q305 WeakPolarHBondContact O-CG 3.31Å; T301-Q305 PolarHBondContact O-N 3.47Å; M302-Q305 PolarHBondContact O-N 2.87Å; V303-Q305 VanDerWaalsContact C-N 3.32Å; V303-Q305 PolarHBondContact O-N 3.44Å; Q305-W307 VanDerWaalsContact OE1-NE1 3.08Å; Q305-G428 PolarHBondContact NE2-O 2.99Å |
| 306 | G | 96.9 | Very high | 94.8 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 63% | 0.629 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 33.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M302 V303 Q304 | M302-G306 PolarHBondContact O-N 3.19Å; V303-G306 PolarHBondContact O-N 3Å; V303-G306 VanDerWaalsContact O-N 3.08Å; Q304-G306 PolarHBondContact O-N 3.39Å |
| 307 | W | 97.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | trans | -64 | 137.4 | 170.5 | -74.8 | 42.9 | 0 | 0 | 0 | 109.7 | M302 Q305 R311 F312 E315 V370 F375 L427 L429 | M302-W307 HydrophobicContact CB-CB 4.14Å; M302-W307 HydrophobicContact CB-CG 4.25Å; M302-W307 HydrophobicContact CE-CZ3 4.46Å; M302-W307 HydrophobicContact CG-CD2 4.26Å; M302-W307 HydrophobicContact CG-CE3 4.26Å; M302-W307 HydrophobicContact CG-CG 4.46Å; M302-W307 WeakPolarHBondContact O-CB 2.91Å; M302-W307 PolarHBondContact O-N 3.45Å; Q305-W307 VanDerWaalsContact OE1-NE1 3.08Å; W307-R311 HydrophobicContact CD2-CG 4.02Å; W307-R311 HydrophobicContact CE3-CG 3.86Å; W307-R311 HydrophobicContact CG-CG 4.42Å; W307-R311 HydrophobicContact CZ3-CG 4.29Å; W307-F312 HydrophobicContact CB-CE1 4.28Å; W307-F312 AromaticContact CE3-CD1 3.77Å; W307-F312 HydrophobicContact CE3-CD1 3.77Å; W307-F312 AromaticContact CE3-CE1 3.68Å; W307-F312 HydrophobicContact CE3-CE1 3.68Å; W307-F312 HydrophobicContact CZ3-CD1 4.33Å; W307-F312 HydrophobicContact CZ3-CE1 4.47Å; W307-E315 HydrophobicContact CH2-CG 4.4Å; W307-V370 HydrophobicContact CB-CG1 4.43Å; W307-F375 HydrophobicContact CZ3-CD2 4.29Å; W307-F375 HydrophobicContact CZ3-CE2 4.09Å; W307-L427 HydrophobicContact CH2-CB 4.31Å; W307-L427 HydrophobicContact CH2-CD1 4.28Å; W307-L429 HydrophobicContact CD2-CD2 4.21Å; W307-L429 HydrophobicContact CH2-CD1 3.56Å; W307-L429 HydrophobicContact CH2-CD2 4.04Å; W307-L429 HydrophobicContact CH2-CG 3.87Å; W307-L429 HydrophobicContact CZ2-CD1 3.89Å; W307-L429 HydrophobicContact CZ2-CD2 3.51Å; W307-L429 HydrophobicContact CZ2-CG 3.64Å; W307-L429 HydrophobicContact CZ3-CD1 4.04Å | ||
| 308 | D | 96.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | trans | -106.2 | 172.1 | 170.7 | 64.4 | 21.3 | 0 | 0 | 0 | 110.9 | M310 R311 | D308-M310 VanDerWaalsContact C-N 3.3Å; D308-M310 PolarHBondContact O-N 2.98Å; D308-M310 PolarHBondContact OD1-N 3.5Å; D308-R311 WeakPolarHBondContact O-CB 3.14Å; D308-R311 PolarHBondContact O-N 3.47Å; D308-R311 VanDerWaalsContact OD1-CB 3.29Å; D308-R311 WeakPolarHBondContact OD1-CB 3.33Å; D308-R311 PolarHBondContact OD1-N 3.41Å | ||
| 309 | E | 96.4 | Very high | 96.5 | Very high | 54 Ų | 54 | 55 Ų | 55 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | -178.6 | -60.2 | 82 | 178.4 | 0 | 0 | 111.7 | R311 F312 F313 V339 T368 | E309-R311 VanDerWaalsContact C-N 3.28Å; E309-R311 PolarHBondContact O-N 3.01Å; E309-F312 WeakPolarHBondContact O-CB 3.47Å; E309-F312 PolarHBondContact O-N 2.91Å; E309-F312 VanDerWaalsContact O-N 3.13Å; E309-F313 WeakPolarHBondContact O-CD2 2.87Å; E309-V339 HydrophobicContact CB-CG2 3.66Å; E309-V339 HydrophobicContact CG-CG2 3.99Å; E309-T368 HydrophobicContact CB-CG2 3.9Å; E309-T368 HydrophobicContact CG-CG2 3.93Å; E309-T368 WeakPolarHBondContact CG-O 3.32Å |
| 310 | M | 97.2 | Very high | 96.7 | Very high | 77 Ų | 77 | 54 Ų | 54 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | -179.9 | -175.5 | 59.3 | 63.2 | 0 | 0 | 111.9 | D308 F312 F313 K314 W333 L338 | D308-M310 VanDerWaalsContact C-N 3.3Å; D308-M310 PolarHBondContact O-N 2.98Å; D308-M310 PolarHBondContact OD1-N 3.5Å; M310-F312 PolarHBondContact O-N 2.85Å; M310-F313 PolarHBondContact O-N 3.28Å; M310-K314 PolarHBondContact O-N 2.98Å; M310-K314 VanDerWaalsContact O-N 3.1Å; M310-W333 HydrophobicContact SD-CE3 3.64Å; M310-W333 HydrophobicContact SD-CZ3 3.56Å; M310-W333 VanDerWaalsContact SD-CZ3 3.56Å; M310-L338 HydrophobicContact CE-CD1 3.84Å; M310-L338 HydrophobicContact SD-CD1 4.06Å |
| 311 | R | 97.6 | Very high | 97.1 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 175.6 | -174.9 | 60.7 | 172.1 | 148.6 | 11.8 | 112.2 | W307 D308 E309 K314 E315 | W307-R311 HydrophobicContact CD2-CG 4.02Å; W307-R311 HydrophobicContact CE3-CG 3.86Å; W307-R311 HydrophobicContact CG-CG 4.42Å; W307-R311 HydrophobicContact CZ3-CG 4.29Å; D308-R311 WeakPolarHBondContact O-CB 3.14Å; D308-R311 PolarHBondContact O-N 3.47Å; D308-R311 VanDerWaalsContact OD1-CB 3.29Å; D308-R311 WeakPolarHBondContact OD1-CB 3.33Å; D308-R311 PolarHBondContact OD1-N 3.41Å; E309-R311 VanDerWaalsContact C-N 3.28Å; E309-R311 PolarHBondContact O-N 3.01Å; R311-K314 PolarHBondContact O-N 3.23Å; R311-E315 IonicContact CZ-OE1 2.67Å; R311-E315 IonicContact NE-OE1 3.63Å; R311-E315 IonicContact NH1-OE1 2.97Å; R311-E315 PolarHBondContact NH1-OE1 2.91Å; R311-E315 VanDerWaalsContact NH2-CD 3.34Å; R311-E315 IonicContact NH2-OE1 3.04Å; R311-E315 PolarHBondContact NH2-OE1 3.33Å; R311-E315 PolarHBondContact O-N 3.18Å |
| 312 | F | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -50.4 | 179.9 | -70.7 | 15.8 | 0 | 0 | 0 | 110.4 | M302 W307 E309 M310 K314 E315 A316 T368 K369 V370 N371 D374 F375 V378 | M302-F312 HydrophobicContact CE-CE1 4.48Å; M302-F312 HydrophobicContact CE-CZ 4.36Å; M302-F312 HydrophobicContact SD-CE1 3.94Å; M302-F312 HydrophobicContact SD-CZ 3.59Å; M302-F312 VanDerWaalsContact SD-CZ 3.59Å; W307-F312 HydrophobicContact CB-CE1 4.28Å; W307-F312 AromaticContact CE3-CD1 3.77Å; W307-F312 HydrophobicContact CE3-CD1 3.77Å; W307-F312 AromaticContact CE3-CE1 3.68Å; W307-F312 HydrophobicContact CE3-CE1 3.68Å; W307-F312 HydrophobicContact CZ3-CD1 4.33Å; W307-F312 HydrophobicContact CZ3-CE1 4.47Å; E309-F312 WeakPolarHBondContact O-CB 3.47Å; E309-F312 PolarHBondContact O-N 2.91Å; E309-F312 VanDerWaalsContact O-N 3.13Å; M310-F312 PolarHBondContact O-N 2.85Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 2.88Å; F312-E315 PolarHBondContact O-N 2.85Å; F312-A316 PolarHBondContact O-N 3.33Å; F312-T368 HydrophobicContact CD2-CG2 3.97Å; F312-T368 HydrophobicContact CE2-CG2 4.42Å; F312-K369 WeakPolarHBondContact CE2-O 3.49Å; F312-V370 HydrophobicContact CE1-CG1 4.34Å; F312-V370 HydrophobicContact CZ-CB 4.43Å; F312-V370 HydrophobicContact CZ-CG1 4.09Å; F312-N371 WeakPolarHBondContact CE2-O 3.46Å; F312-D374 HydrophobicContact CE2-CB 4.21Å; F312-F375 HydrophobicContact CB-CD2 4.46Å; F312-F375 HydrophobicContact CD1-CD2 4.32Å; F312-F375 VanDerWaalsContact CD2-CA 3.5Å; F312-F375 HydrophobicContact CD2-CB 3.85Å; F312-F375 HydrophobicContact CD2-CD2 4.45Å; F312-F375 HydrophobicContact CE2-CB 3.69Å; F312-F375 HydrophobicContact CG-CB 4.39Å; F312-F375 HydrophobicContact CG-CD2 4.17Å; F312-F375 HydrophobicContact CZ-CB 4.12Å; F312-V378 HydrophobicContact CB-CB 4.34Å; F312-V378 HydrophobicContact CB-CG1 4.21Å; F312-V378 HydrophobicContact CB-CG2 4.13Å; F312-V378 HydrophobicContact CD2-CG2 4.41Å |
| 313 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 179.3 | -68.5 | -86.5 | 0 | 0 | 0 | 111.9 | E309 M310 A316 E317 F332 W333 L338 I364 M366 T368 V378 M382 | E309-F313 WeakPolarHBondContact O-CD2 2.87Å; M310-F313 PolarHBondContact O-N 3.28Å; F313-A316 PolarHBondContact O-N 3.2Å; F313-E317 PolarHBondContact O-N 2.58Å; F313-F332 HydrophobicContact CD1-CZ 4.31Å; F313-W333 HydrophobicContact CB-CH2 3.66Å; F313-W333 HydrophobicContact CB-CZ3 3.56Å; F313-L338 HydrophobicContact CB-CD1 4.38Å; F313-L338 HydrophobicContact CD1-CD1 4.32Å; F313-L338 HydrophobicContact CD1-CD2 3.89Å; F313-L338 HydrophobicContact CD2-CB 4.08Å; F313-L338 HydrophobicContact CD2-CD1 3.94Å; F313-L338 HydrophobicContact CD2-CD2 4.3Å; F313-L338 HydrophobicContact CD2-CG 4.33Å; F313-L338 HydrophobicContact CE1-CD2 3.56Å; F313-L338 HydrophobicContact CE2-CB 3.69Å; F313-L338 HydrophobicContact CE2-CD1 4.32Å; F313-L338 HydrophobicContact CE2-CD2 3.99Å; F313-L338 HydrophobicContact CE2-CG 4.2Å; F313-L338 HydrophobicContact CG-CD1 3.95Å; F313-L338 HydrophobicContact CG-CD2 4.26Å; F313-L338 HydrophobicContact CZ-CB 4.09Å; F313-L338 HydrophobicContact CZ-CD2 3.61Å; F313-L338 HydrophobicContact CZ-CG 4.31Å; F313-I364 HydrophobicContact CD1-CD1 4.44Å; F313-I364 HydrophobicContact CE1-CB 4.37Å; F313-I364 HydrophobicContact CE1-CD1 4.03Å; F313-I364 HydrophobicContact CE1-CG2 3.9Å; F313-I364 HydrophobicContact CZ-CG2 4.26Å; F313-M366 HydrophobicContact CZ-SD 4.32Å; F313-T368 HydrophobicContact CE2-CG2 4.34Å; F313-V378 HydrophobicContact CB-CG1 4.26Å; F313-V378 HydrophobicContact CD1-CB 4.49Å; F313-V378 HydrophobicContact CD1-CG1 3.47Å; F313-V378 VanDerWaalsContact CD1-CG1 3.47Å; F313-V378 HydrophobicContact CD1-CG2 4.3Å; F313-V378 HydrophobicContact CD2-CG1 4.21Å; F313-V378 HydrophobicContact CD2-CG2 4.23Å; F313-V378 HydrophobicContact CE1-CB 4.27Å; F313-V378 HydrophobicContact CE1-CG1 3.7Å; F313-V378 HydrophobicContact CE1-CG2 3.78Å; F313-V378 HydrophobicContact CE2-CG1 4.42Å; F313-V378 HydrophobicContact CE2-CG2 3.71Å; F313-V378 HydrophobicContact CG-CG1 3.74Å; F313-V378 HydrophobicContact CG-CG2 4.49Å; F313-V378 HydrophobicContact CZ-CB 4.43Å; F313-V378 HydrophobicContact CZ-CG1 4.19Å; F313-V378 HydrophobicContact CZ-CG2 3.46Å; F313-V378 VanDerWaalsContact CZ-CG2 3.46Å; F313-M382 HydrophobicContact CB-CE 4.23Å; F313-M382 HydrophobicContact CD1-CE 4.08Å; F313-M382 WeakPolarHBondContact O-CE 3.37Å |
| 314 | K | 98.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 177.8 | -75.7 | -73 | 164.4 | -163 | 0 | 113.3 | M310 R311 F312 E317 K318 W333 | M310-K314 PolarHBondContact O-N 2.98Å; M310-K314 VanDerWaalsContact O-N 3.1Å; R311-K314 PolarHBondContact O-N 3.23Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 2.88Å; K314-E317 IonicContact NZ-OE2 2.69Å; K314-E317 PolarHBondContact NZ-OE2 3.43Å; K314-K318 WeakPolarHBondContact O-CB 3.24Å; K314-K318 PolarHBondContact O-N 2.85Å; K314-K318 VanDerWaalsContact O-N 3.12Å; K314-W333 HydrophobicContact CD-CH2 3.79Å; K314-W333 HydrophobicContact CD-CZ2 4.01Å; K314-W333 HydrophobicContact CD-CZ3 4.22Å; K314-W333 VanDerWaalsContact CE-CH2 3.46Å; K314-W333 VanDerWaalsContact CE-CZ2 3.46Å; K314-W333 HydrophobicContact CG-CH2 3.98Å; K314-W333 HydrophobicContact CG-CZ3 4.15Å |
| 315 | E | 97.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.4 | -33.9 | 172.9 | -72 | -58.6 | 131.6 | 0 | 0 | 112.1 | W307 R311 F312 K318 F319 L427 | W307-E315 HydrophobicContact CH2-CG 4.4Å; R311-E315 IonicContact CZ-OE1 2.67Å; R311-E315 IonicContact NE-OE1 3.63Å; R311-E315 IonicContact NH1-OE1 2.97Å; R311-E315 PolarHBondContact NH1-OE1 2.91Å; R311-E315 VanDerWaalsContact NH2-CD 3.34Å; R311-E315 IonicContact NH2-OE1 3.04Å; R311-E315 PolarHBondContact NH2-OE1 3.33Å; R311-E315 PolarHBondContact O-N 3.18Å; F312-E315 PolarHBondContact O-N 2.85Å; E315-K318 PolarHBondContact O-N 2.84Å; E315-K318 IonicContact OE1-NZ 3.31Å; E315-K318 WeakPolarHBondContact OE2-CD 3.46Å; E315-K318 IonicContact OE2-NZ 3.71Å; E315-K318 PolarHBondContact OE2-NZ 2.92Å; E315-F319 PolarHBondContact O-N 3.06Å; E315-L427 HydrophobicContact CG-CD2 4.48Å; E315-L427 VanDerWaalsContact OE2-CD2 3.25Å; E315-L427 WeakPolarHBondContact OE2-CD2 3.46Å |
| 316 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F312 F313 K318 F319 F320 V378 M382 | F312-A316 PolarHBondContact O-N 3.33Å; F313-A316 PolarHBondContact O-N 3.2Å; A316-K318 VanDerWaalsContact C-N 3.29Å; A316-K318 PolarHBondContact O-N 2.74Å; A316-F319 WeakPolarHBondContact O-CB 3.27Å; A316-F319 PolarHBondContact O-N 3.33Å; A316-F320 HydrophobicContact CB-CE2 4.49Å; A316-F320 WeakPolarHBondContact O-CD2 3.49Å; A316-F320 PolarHBondContact O-N 2.72Å; A316-V378 HydrophobicContact CB-CG1 3.89Å; A316-M382 HydrophobicContact CB-CE 4.16Å; A316-M382 HydrophobicContact CB-SD 3.78Å |
| 317 | E | 98.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55 | -46.4 | 176 | 172.1 | 174.9 | -113.9 | 0 | 0 | 111.2 | F313 K314 F319 F320 M321 M328 W333 M382 | F313-E317 PolarHBondContact O-N 2.58Å; K314-E317 IonicContact NZ-OE2 2.69Å; K314-E317 PolarHBondContact NZ-OE2 3.43Å; E317-F319 VanDerWaalsContact C-N 3.32Å; E317-F319 PolarHBondContact O-N 3.18Å; E317-F320 PolarHBondContact O-N 3.24Å; E317-M321 HydrophobicContact CG-CG 4.41Å; E317-M321 HydrophobicContact CG-SD 3.9Å; E317-M321 VanDerWaalsContact O-CG 3.32Å; E317-M321 WeakPolarHBondContact O-CG 3.48Å; E317-M321 PolarHBondContact O-N 3.44Å; E317-M328 HydrophobicContact CG-CG 4.45Å; E317-M328 VanDerWaalsContact OE1-CB 3.27Å; E317-M328 WeakPolarHBondContact OE1-CB 3.46Å; E317-M328 PolarHBondContact OE1-N 2.92Å; E317-W333 HydrophobicContact CB-CZ2 4.18Å; E317-W333 VanDerWaalsContact CD-CZ2 3.47Å; E317-W333 HydrophobicContact CG-CZ2 4.43Å; E317-W333 WeakPolarHBondContact OE1-CZ2 3.22Å; E317-W333 PolarHBondContact OE1-NE1 3.11Å; E317-W333 WeakPolarHBondContact OE2-CZ2 3.12Å; E317-M382 VanDerWaalsContact CA-SD 3.57Å; E317-M382 HydrophobicContact CB-CE 4.41Å; E317-M382 HydrophobicContact CB-SD 4.03Å; E317-M382 PolarHBondContact N-SD 3.35Å |
| 318 | K | 98 | Very high | 97.4 | Very high | 116 Ų | 116 | 41.6 Ų | 41.6 | 50% | 0.504 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.4 | -177.5 | -173.6 | 167.5 | -159.9 | 0 | 112.4 | K314 E315 A316 S322 | K314-K318 WeakPolarHBondContact O-CB 3.24Å; K314-K318 PolarHBondContact O-N 2.85Å; K314-K318 VanDerWaalsContact O-N 3.12Å; E315-K318 PolarHBondContact O-N 2.84Å; E315-K318 IonicContact OE1-NZ 3.31Å; E315-K318 WeakPolarHBondContact OE2-CD 3.46Å; E315-K318 IonicContact OE2-NZ 3.71Å; E315-K318 PolarHBondContact OE2-NZ 2.92Å; A316-K318 VanDerWaalsContact C-N 3.29Å; A316-K318 PolarHBondContact O-N 2.74Å; K318-S322 WeakPolarHBondContact O-CB 3.44Å; K318-S322 PolarHBondContact O-N 3.07Å |
| 319 | F | 97.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -50.9 | 173.7 | 167.7 | -93 | 0 | 0 | 0 | 111 | E315 A316 E317 M321 S322 V323 M414 H423 I550 T551 | E315-F319 PolarHBondContact O-N 3.06Å; A316-F319 WeakPolarHBondContact O-CB 3.27Å; A316-F319 PolarHBondContact O-N 3.33Å; E317-F319 VanDerWaalsContact C-N 3.32Å; E317-F319 PolarHBondContact O-N 3.18Å; F319-M321 PolarHBondContact O-N 3.34Å; F319-S322 WeakPolarHBondContact O-CB 3.37Å; F319-S322 PolarHBondContact O-N 2.97Å; F319-S322 VanDerWaalsContact O-N 3.09Å; F319-S322 PolarHBondContact O-OG 3.15Å; F319-V323 PolarHBondContact O-N 2.86Å; F319-M414 HydrophobicContact CE1-CB 4.08Å; F319-M414 HydrophobicContact CE1-CG 4.37Å; F319-M414 HydrophobicContact CE1-SD 3.65Å; F319-M414 HydrophobicContact CZ-SD 4.23Å; F319-H423 AromaticContact CD2-CE1 3.83Å; F319-I550 HydrophobicContact CE2-CG1 4.36Å; F319-I550 HydrophobicContact CZ-CD1 4.26Å; F319-I550 HydrophobicContact CZ-CG1 3.98Å; F319-T551 HydrophobicContact CD2-CG2 4.46Å; F319-T551 WeakPolarHBondContact CD2-OG1 3.41Å; F319-T551 VanDerWaalsContact CE2-OG1 3.3Å; F319-T551 WeakPolarHBondContact CE2-OG1 3.4Å |
| 320 | F | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 178.6 | -72.5 | -72.3 | 0 | 0 | 0 | 112.6 | A316 E317 S322 V323 G324 L325 H379 M382 Q386 M414 | A316-F320 HydrophobicContact CB-CE2 4.49Å; A316-F320 WeakPolarHBondContact O-CD2 3.49Å; A316-F320 PolarHBondContact O-N 2.72Å; E317-F320 PolarHBondContact O-N 3.24Å; F320-S322 VanDerWaalsContact C-N 3.26Å; F320-S322 PolarHBondContact O-N 3.25Å; F320-V323 WeakPolarHBondContact O-CG2 3.42Å; F320-V323 PolarHBondContact O-N 3.22Å; F320-G324 PolarHBondContact O-N 3.32Å; F320-L325 HydrophobicContact CB-CB 4.3Å; F320-L325 HydrophobicContact CD1-CD1 3.72Å; F320-L325 HydrophobicContact CE1-CD1 4.43Å; F320-L325 WeakPolarHBondContact O-CB 3.12Å; F320-L325 PolarHBondContact O-N 3.1Å; F320-L325 VanDerWaalsContact O-N 3.1Å; F320-H379 WeakPolarHBondContact CZ-O 3.4Å; F320-M382 HydrophobicContact CD2-CB 4.37Å; F320-M382 HydrophobicContact CD2-CG 3.75Å; F320-M382 HydrophobicContact CD2-SD 3.68Å; F320-M382 HydrophobicContact CE2-CB 3.7Å; F320-M382 HydrophobicContact CE2-CG 3.58Å; F320-M382 HydrophobicContact CE2-SD 3.94Å; F320-M382 HydrophobicContact CZ-CB 4.4Å; F320-M382 HydrophobicContact CZ-CG 4.46Å; F320-Q386 HydrophobicContact CB-CG 4.36Å; F320-Q386 HydrophobicContact CD1-CB 4.45Å; F320-Q386 HydrophobicContact CD1-CG 3.69Å; F320-Q386 HydrophobicContact CD2-CG 4.24Å; F320-Q386 HydrophobicContact CE1-CB 4.47Å; F320-Q386 HydrophobicContact CE1-CG 3.96Å; F320-Q386 HydrophobicContact CG-CG 3.84Å; F320-Q386 HydrophobicContact CZ-CG 4.41Å; F320-M414 HydrophobicContact CD1-SD 4.33Å; F320-M414 HydrophobicContact CE1-CB 4.23Å; F320-M414 HydrophobicContact CE1-CE 3.94Å; F320-M414 HydrophobicContact CE1-CG 3.46Å; F320-M414 VanDerWaalsContact CE1-CG 3.46Å; F320-M414 HydrophobicContact CE1-SD 3.58Å; F320-M414 VanDerWaalsContact CE1-SD 3.58Å; F320-M414 HydrophobicContact CZ-CB 3.9Å; F320-M414 HydrophobicContact CZ-CG 3.56Å; F320-M414 HydrophobicContact CZ-SD 4.23Å |
| 321 | M | 97.8 | Very high | 97.5 | Very high | 83 Ų | 83 | 43 Ų | 43 | 41% | 0.409 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63 | -33.4 | 175.2 | -69.7 | 177.2 | 73.1 | 0 | 0 | 112.2 | E317 F319 V323 G324 E327 | E317-M321 HydrophobicContact CG-CG 4.41Å; E317-M321 HydrophobicContact CG-SD 3.9Å; E317-M321 VanDerWaalsContact O-CG 3.32Å; E317-M321 WeakPolarHBondContact O-CG 3.48Å; E317-M321 PolarHBondContact O-N 3.44Å; F319-M321 PolarHBondContact O-N 3.34Å; M321-V323 PolarHBondContact O-N 3.42Å; M321-G324 PolarHBondContact O-N 3.29Å; M321-E327 HydrophobicContact CE-CB 4.23Å; M321-E327 HydrophobicContact CE-CG 4.39Å; M321-E327 HydrophobicContact CG-CB 4.45Å; M321-E327 HydrophobicContact SD-CB 4.11Å; M321-E327 HydrophobicContact SD-CG 4.12Å |
| 322 | S | 97.1 | Very high | 97.5 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -32.4 | 179.9 | 84 | 0 | 0 | 0 | 0 | 112.9 | K318 F319 F320 G324 G552 | K318-S322 WeakPolarHBondContact O-CB 3.44Å; K318-S322 PolarHBondContact O-N 3.07Å; F319-S322 WeakPolarHBondContact O-CB 3.37Å; F319-S322 PolarHBondContact O-N 2.97Å; F319-S322 VanDerWaalsContact O-N 3.09Å; F319-S322 PolarHBondContact O-OG 3.15Å; F320-S322 VanDerWaalsContact C-N 3.26Å; F320-S322 PolarHBondContact O-N 3.25Å; S322-G324 VanDerWaalsContact C-N 3.33Å; S322-G552 CarbonylContact O-C 3.53Å; S322-G552 WeakPolarHBondContact O-CA 3.36Å; S322-G552 PolarHBondContact OG-N 3.35Å |
| 323 | V | 96.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 0.8 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | F319 F320 M321 L325 I550 G557 | F319-V323 PolarHBondContact O-N 2.86Å; F320-V323 WeakPolarHBondContact O-CG2 3.42Å; F320-V323 PolarHBondContact O-N 3.22Å; M321-V323 PolarHBondContact O-N 3.42Å; V323-L325 HydrophobicContact CG2-CD1 4.04Å; V323-L325 HydrophobicContact CG2-CG 4.03Å; V323-I550 HydrophobicContact CG1-CD1 4.43Å; V323-I550 HydrophobicContact CG1-CG1 4.21Å; V323-I550 VanDerWaalsContact CG1-O 3.24Å; V323-I550 WeakPolarHBondContact CG1-O 3.5Å; V323-G557 VanDerWaalsContact O-CA 3.24Å; V323-G557 WeakPolarHBondContact O-CA 3.45Å |
| 324 | G | 96.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 21.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | F320 M321 S322 R561 | F320-G324 PolarHBondContact O-N 3.32Å; M321-G324 PolarHBondContact O-N 3.29Å; S322-G324 VanDerWaalsContact C-N 3.33Å; G324-R561 PolarHBondContact O-NH1 2.99Å |
| 325 | L | 96.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | trans | -82.9 | -174.2 | 166 | -65.8 | 176.8 | 0 | 0 | 0 | 111.1 | F320 V323 L560 R561 L564 | F320-L325 HydrophobicContact CB-CB 4.3Å; F320-L325 HydrophobicContact CD1-CD1 3.72Å; F320-L325 HydrophobicContact CE1-CD1 4.43Å; F320-L325 WeakPolarHBondContact O-CB 3.12Å; F320-L325 PolarHBondContact O-N 3.1Å; F320-L325 VanDerWaalsContact O-N 3.1Å; V323-L325 HydrophobicContact CG2-CD1 4.04Å; V323-L325 HydrophobicContact CG2-CG 4.03Å; L325-L560 HydrophobicContact CD1-CD2 3.81Å; L325-R561 HydrophobicContact CD2-CB 3.79Å; L325-R561 HydrophobicContact CD2-CG 4.21Å; L325-L564 HydrophobicContact CD2-CD1 4.32Å | ||
| 326 | Y | 96.3 | Very high | 97.5 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 146.3 | -167.3 | -48.1 | -77.8 | 0 | 0 | 0 | 111.9 | Q386 M389 A390 R561 E565 | Y326-Q386 PolarHBondContact O-NE2 3.18Å; Y326-Q386 PolarHBondContact O-OE1 2.85Å; Y326-M389 HydrophobicContact CD2-CB 4.17Å; Y326-M389 HydrophobicContact CG-CE 4.39Å; Y326-A390 HydrophobicContact CE2-CB 3.8Å; Y326-R561 WeakPolarHBondContact OH-CD 3.44Å; Y326-E565 PolarHBondContact OH-OE1 2.75Å |
| 327 | E | 97.8 | Very high | 97.5 | Very high | 120 Ų | 120 | 45.4 Ų | 45.4 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -70 | 142.9 | 161.1 | -177.5 | 175.4 | -162.6 | 0 | 0 | 109.2 | M321 M389 | M321-E327 HydrophobicContact CE-CB 4.23Å; M321-E327 HydrophobicContact CE-CG 4.39Å; M321-E327 HydrophobicContact CG-CB 4.45Å; M321-E327 HydrophobicContact SD-CB 4.11Å; M321-E327 HydrophobicContact SD-CG 4.12Å; E327-M389 WeakPolarHBondContact O-CE 3.34Å |
| 328 | M | 98 | Very high | 97.4 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -68 | 142.6 | 176.8 | -62.8 | -56.3 | -63.7 | 0 | 0 | 109.8 | E317 F332 W333 M382 N385 M389 | E317-M328 HydrophobicContact CG-CG 4.45Å; E317-M328 VanDerWaalsContact OE1-CB 3.27Å; E317-M328 WeakPolarHBondContact OE1-CB 3.46Å; E317-M328 PolarHBondContact OE1-N 2.92Å; M328-F332 HydrophobicContact CB-CB 4.27Å; M328-F332 HydrophobicContact CB-CD1 3.82Å; M328-F332 HydrophobicContact CB-CE1 4.44Å; M328-F332 HydrophobicContact CB-CG 4.12Å; M328-F332 HydrophobicContact CE-CB 4.13Å; M328-F332 HydrophobicContact CE-CD1 4Å; M328-F332 HydrophobicContact CE-CD2 3.27Å; M328-F332 HydrophobicContact CE-CE1 4.25Å; M328-F332 HydrophobicContact CE-CE2 3.56Å; M328-F332 HydrophobicContact CE-CG 3.53Å; M328-F332 HydrophobicContact CE-CZ 4.05Å; M328-F332 HydrophobicContact CG-CD1 4.1Å; M328-F332 HydrophobicContact CG-CE1 4.24Å; M328-F332 HydrophobicContact CG-CG 4.48Å; M328-W333 HydrophobicContact CB-CZ2 4.29Å; M328-W333 HydrophobicContact CG-CZ2 4.4Å; M328-M382 HydrophobicContact CG-CE 4.14Å; M328-M382 HydrophobicContact CG-SD 4.15Å; M328-M382 HydrophobicContact SD-CG 4.05Å; M328-M382 HydrophobicContact SD-SD 4.31Å; M328-N385 HydrophobicContact CE-CB 3.77Å; M328-N385 HydrophobicContact SD-CB 4.5Å; M328-M389 HydrophobicContact CE-SD 4.03Å; M328-M389 HydrophobicContact SD-SD 3.93Å |
| 329 | F | 97.6 | Very high | 97.3 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 26% | 0.263 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 150.3 | 178.5 | -66.4 | -20.9 | 0 | 0 | 0 | 112.6 | N331 F332 E360 F362 M389 R392 | F329-N331 WeakPolarHBondContact CB-OD1 3.28Å; F329-N331 PolarHBondContact O-N 3.49Å; F329-N331 VanDerWaalsContact O-N 3.13Å; F329-F332 WeakPolarHBondContact O-CB 3.47Å; F329-F332 PolarHBondContact O-N 2.84Å; F329-E360 VanDerWaalsContact CD2-O 3.3Å; F329-E360 WeakPolarHBondContact CD2-O 3.35Å; F329-F362 AromaticContact CD2-CD2 3.88Å; F329-F362 HydrophobicContact CD2-CD2 3.88Å; F329-F362 HydrophobicContact CD2-CE2 4.11Å; F329-F362 HydrophobicContact CE2-CD2 4.03Å; F329-F362 AromaticContact CE2-CE2 3.76Å; F329-F362 HydrophobicContact CE2-CE2 3.76Å; F329-M389 HydrophobicContact CD1-CE 3.98Å; F329-M389 HydrophobicContact CE1-CE 3.98Å; F329-M389 HydrophobicContact CG-CE 4.37Å; F329-M389 HydrophobicContact CZ-CE 4.37Å; F329-R392 VanDerWaalsContact CZ-CZ 3.41Å |
| 330 | D | 97.4 | Very high | 97 | Very high | 141 Ų | 141 | 47.4 Ų | 47.4 | 75% | 0.754 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -54.6 | -38.3 | -177.4 | -72.1 | -21.9 | 0 | 0 | 0 | 112.9 | F332 W333 | D330-F332 VanDerWaalsContact C-N 3.29Å; D330-F332 PolarHBondContact O-N 3.02Å; D330-W333 PolarHBondContact O-N 3.1Å |
| 331 | N | 97.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69 | -22.7 | 178.8 | 64.3 | -19.9 | 0 | 0 | 0 | 113.8 | F329 W333 T334 N335 E360 D361 | F329-N331 WeakPolarHBondContact CB-OD1 3.28Å; F329-N331 PolarHBondContact O-N 3.49Å; F329-N331 VanDerWaalsContact O-N 3.13Å; N331-W333 VanDerWaalsContact C-N 3.29Å; N331-W333 PolarHBondContact O-N 3.35Å; N331-T334 WeakPolarHBondContact CA-OG1 3.3Å; N331-T334 PolarHBondContact O-N 2.55Å; N331-T334 PolarHBondContact O-OG1 3.49Å; N331-N335 WeakPolarHBondContact O-CB 3.44Å; N331-N335 PolarHBondContact O-N 2.91Å; N331-E360 PolarHBondContact ND2-O 3.39Å; N331-E360 PolarHBondContact OD1-O 3.48Å; N331-D361 WeakPolarHBondContact ND2-CA 3.41Å |
| 332 | F | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 173.9 | 167 | -94 | 0 | 0 | 0 | 110.3 | F313 M328 F329 D330 T334 S336 L338 F362 I364 M382 | F313-F332 HydrophobicContact CD1-CZ 4.31Å; M328-F332 HydrophobicContact CB-CB 4.27Å; M328-F332 HydrophobicContact CB-CD1 3.82Å; M328-F332 HydrophobicContact CB-CE1 4.44Å; M328-F332 HydrophobicContact CB-CG 4.12Å; M328-F332 HydrophobicContact CE-CB 4.13Å; M328-F332 HydrophobicContact CE-CD1 4Å; M328-F332 HydrophobicContact CE-CD2 3.27Å; M328-F332 HydrophobicContact CE-CE1 4.25Å; M328-F332 HydrophobicContact CE-CE2 3.56Å; M328-F332 HydrophobicContact CE-CG 3.53Å; M328-F332 HydrophobicContact CE-CZ 4.05Å; M328-F332 HydrophobicContact CG-CD1 4.1Å; M328-F332 HydrophobicContact CG-CE1 4.24Å; M328-F332 HydrophobicContact CG-CG 4.48Å; F329-F332 WeakPolarHBondContact O-CB 3.47Å; F329-F332 PolarHBondContact O-N 2.84Å; D330-F332 VanDerWaalsContact C-N 3.29Å; D330-F332 PolarHBondContact O-N 3.02Å; F332-T334 VanDerWaalsContact C-N 3.33Å; F332-T334 PolarHBondContact O-N 2.91Å; F332-S336 WeakPolarHBondContact CD2-OG 3.38Å; F332-S336 WeakPolarHBondContact O-CB 3.19Å; F332-S336 PolarHBondContact O-N 3.1Å; F332-S336 VanDerWaalsContact O-N 3.1Å; F332-S336 PolarHBondContact O-OG 3.42Å; F332-L338 HydrophobicContact CZ-CD2 4.31Å; F332-F362 WeakPolarHBondContact CD2-O 3.28Å; F332-I364 HydrophobicContact CE2-CB 4.05Å; F332-I364 HydrophobicContact CE2-CD1 3.84Å; F332-I364 HydrophobicContact CE2-CG1 3.81Å; F332-I364 HydrophobicContact CZ-CB 4.36Å; F332-I364 HydrophobicContact CZ-CD1 3.88Å; F332-I364 HydrophobicContact CZ-CG1 4.27Å; F332-M382 HydrophobicContact CE1-CE 4.17Å; F332-M382 HydrophobicContact CZ-CE 4.07Å |
| 333 | W | 98.1 | Very high | 96.3 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.1 | -30.7 | -177.2 | -62.9 | 104.8 | 0 | 0 | 0 | 113.1 | M310 F313 K314 E317 M328 D330 N331 L338 M382 | M310-W333 HydrophobicContact SD-CE3 3.64Å; M310-W333 HydrophobicContact SD-CZ3 3.56Å; M310-W333 VanDerWaalsContact SD-CZ3 3.56Å; F313-W333 HydrophobicContact CB-CH2 3.66Å; F313-W333 HydrophobicContact CB-CZ3 3.56Å; K314-W333 HydrophobicContact CD-CH2 3.79Å; K314-W333 HydrophobicContact CD-CZ2 4.01Å; K314-W333 HydrophobicContact CD-CZ3 4.22Å; K314-W333 VanDerWaalsContact CE-CH2 3.46Å; K314-W333 VanDerWaalsContact CE-CZ2 3.46Å; K314-W333 HydrophobicContact CG-CH2 3.98Å; K314-W333 HydrophobicContact CG-CZ3 4.15Å; E317-W333 HydrophobicContact CB-CZ2 4.18Å; E317-W333 VanDerWaalsContact CD-CZ2 3.47Å; E317-W333 HydrophobicContact CG-CZ2 4.43Å; E317-W333 WeakPolarHBondContact OE1-CZ2 3.22Å; E317-W333 PolarHBondContact OE1-NE1 3.11Å; E317-W333 WeakPolarHBondContact OE2-CZ2 3.12Å; M328-W333 HydrophobicContact CB-CZ2 4.29Å; M328-W333 HydrophobicContact CG-CZ2 4.4Å; D330-W333 PolarHBondContact O-N 3.1Å; N331-W333 VanDerWaalsContact C-N 3.29Å; N331-W333 PolarHBondContact O-N 3.35Å; W333-L338 HydrophobicContact CE3-CD1 4.12Å; W333-L338 HydrophobicContact CZ3-CD1 4.14Å; W333-M382 HydrophobicContact CH2-CE 4.5Å |
| 334 | T | 96.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 59 Ų | 59 | 66% | 0.656 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -87.9 | -31.5 | -179.5 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | N331 F332 | N331-T334 WeakPolarHBondContact CA-OG1 3.3Å; N331-T334 PolarHBondContact O-N 2.55Å; N331-T334 PolarHBondContact O-OG1 3.49Å; F332-T334 VanDerWaalsContact C-N 3.33Å; F332-T334 PolarHBondContact O-N 2.91Å |
| 335 | N | 98.1 | Very high | 95.3 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -99.8 | -19.3 | -170.3 | -62.1 | -9.4 | 0 | 0 | 0 | 113.7 | W52 N331 R363 | W52-N335 WeakPolarHBondContact CZ2-O 3.33Å; N331-N335 WeakPolarHBondContact O-CB 3.44Å; N331-N335 PolarHBondContact O-N 2.91Å; N335-R363 HydrophobicContact CB-CG 4.22Å |
| 336 | S | 98.4 | Very high | 94.6 | Very high | 18 Ų | 18 | 67 Ų | 67 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | trans | -72.8 | 150.3 | 179.5 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | F332 L338 R363 I364 | F332-S336 WeakPolarHBondContact CD2-OG 3.38Å; F332-S336 WeakPolarHBondContact O-CB 3.19Å; F332-S336 PolarHBondContact O-N 3.1Å; F332-S336 VanDerWaalsContact O-N 3.1Å; F332-S336 PolarHBondContact O-OG 3.42Å; S336-L338 VanDerWaalsContact CB-CD2 3.41Å; S336-R363 WeakPolarHBondContact OG-CA 3.39Å; S336-I364 VanDerWaalsContact CB-O 3.27Å; S336-I364 WeakPolarHBondContact CB-O 3.4Å; S336-I364 PolarHBondContact OG-N 3.02Å | ||
| 337 | M | 97.9 | Very high | 94 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 83.9 | 170.6 | -173 | -173.1 | 85.6 | 0 | 0 | 107.7 | W52 T56 P341 V347 I364 K365 M366 | W52-M337 HydrophobicContact CZ2-CB 4.23Å; T56-M337 HydrophobicContact CG2-CB 4.05Å; T56-M337 HydrophobicContact CG2-SD 3.83Å; M337-P341 HydrophobicContact CG-CG 4.36Å; M337-P341 HydrophobicContact SD-CG 4.08Å; M337-V347 HydrophobicContact CE-CB 4.08Å; M337-V347 HydrophobicContact CE-CG2 3.92Å; M337-V347 HydrophobicContact SD-CB 4.13Å; M337-V347 HydrophobicContact SD-CG1 3.98Å; M337-V347 HydrophobicContact SD-CG2 4.33Å; M337-I364 PolarHBondContact N-O 2.83Å; M337-K365 HydrophobicContact CB-CG 4.31Å; M337-K365 HydrophobicContact CE-CD 4.18Å; M337-K365 HydrophobicContact CE-CG 3.44Å; M337-K365 VanDerWaalsContact CE-CG 3.44Å; M337-K365 WeakPolarHBondContact O-CA 3.41Å; M337-K365 HydrophobicContact SD-CG 4.38Å; M337-M366 PolarHBondContact O-N 2.92Å |
| 338 | L | 97.3 | Very high | 93 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | trans | -86.1 | -12.2 | -176.2 | -53.6 | -175 | 0 | 0 | 0 | 113.1 | M310 F313 F332 W333 S336 I364 M366 T368 | M310-L338 HydrophobicContact CE-CD1 3.84Å; M310-L338 HydrophobicContact SD-CD1 4.06Å; F313-L338 HydrophobicContact CB-CD1 4.38Å; F313-L338 HydrophobicContact CD1-CD1 4.32Å; F313-L338 HydrophobicContact CD1-CD2 3.89Å; F313-L338 HydrophobicContact CD2-CB 4.08Å; F313-L338 HydrophobicContact CD2-CD1 3.94Å; F313-L338 HydrophobicContact CD2-CD2 4.3Å; F313-L338 HydrophobicContact CD2-CG 4.33Å; F313-L338 HydrophobicContact CE1-CD2 3.56Å; F313-L338 HydrophobicContact CE2-CB 3.69Å; F313-L338 HydrophobicContact CE2-CD1 4.32Å; F313-L338 HydrophobicContact CE2-CD2 3.99Å; F313-L338 HydrophobicContact CE2-CG 4.2Å; F313-L338 HydrophobicContact CG-CD1 3.95Å; F313-L338 HydrophobicContact CG-CD2 4.26Å; F313-L338 HydrophobicContact CZ-CB 4.09Å; F313-L338 HydrophobicContact CZ-CD2 3.61Å; F313-L338 HydrophobicContact CZ-CG 4.31Å; F332-L338 HydrophobicContact CZ-CD2 4.31Å; W333-L338 HydrophobicContact CE3-CD1 4.12Å; W333-L338 HydrophobicContact CZ3-CD1 4.14Å; S336-L338 VanDerWaalsContact CB-CD2 3.41Å; L338-I364 HydrophobicContact CD2-CB 4.06Å; L338-I364 HydrophobicContact CD2-CG2 4.23Å; L338-M366 CarbonylContact C-O 3.21Å; L338-M366 VanDerWaalsContact C-O 3.3Å; L338-T368 VanDerWaalsContact O-CB 3.28Å; L338-T368 WeakPolarHBondContact O-CB 3.36Å; L338-T368 PolarHBondContact O-OG1 3.22Å; L338-T368 VanDerWaalsContact O-OG1 3.04Å | ||
| 339 | V | 94.9 | Very high | 92.1 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -139 | 144.2 | 179.3 | -175 | 0 | 0 | 0 | 0 | 108.1 | E309 P341 | E309-V339 HydrophobicContact CB-CG2 3.66Å; E309-V339 HydrophobicContact CG-CG2 3.99Å; V339-P341 WeakPolarHBondContact O-CD 3.42Å |
| 340 | K | 91 | Very high | 91.3 | Very high | 108 Ų | 108 | 66.6 Ų | 66.6 | 47% | 0.47 | 37% | 0.366 | S | S | . | . | trans | -62.1 | 125.4 | 174.3 | -172.5 | 174.6 | 179.4 | 174.6 | 0 | 110.1 | V347 C367 | K340-V347 HydrophobicContact CG-CG2 4.28Å; K340-C367 HydrophobicContact CB-CB 4Å | ||
| 341 | P | 92.9 | Very high | 90.8 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | trans | -63.2 | 141.7 | 175.6 | -23.5 | 35.1 | 0 | 0 | 0 | 112.3 | M337 V339 D343 R345 V347 | M337-P341 HydrophobicContact CG-CG 4.36Å; M337-P341 HydrophobicContact SD-CG 4.08Å; V339-P341 WeakPolarHBondContact O-CD 3.42Å; P341-D343 WeakPolarHBondContact CB-OD1 3.48Å; P341-R345 HydrophobicContact CB-CG 4.03Å; P341-R345 HydrophobicContact CG-CG 4.26Å; P341-V347 HydrophobicContact CG-CG1 4.42Å | ||
| 342 | N | 91.5 | Very high | 90.5 | Very high | 164 Ų | 164 | 61.3 Ų | 61.3 | 88% | 0.877 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -101.2 | 12.5 | 178.7 | -68.6 | -36 | 0 | 0 | 0 | 113.2 | G344 | N342-G344 VanDerWaalsContact C-N 3.31Š|
| 343 | D | 92.8 | Very high | 90.4 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -90.4 | 9 | -177.4 | 60.4 | 2.3 | 0 | 0 | 0 | 113.8 | P341 R345 | P341-D343 WeakPolarHBondContact CB-OD1 3.48Å; D343-R345 VanDerWaalsContact CG-NE 3.34Å; D343-R345 VanDerWaalsContact OD1-CG 3.29Å; D343-R345 WeakPolarHBondContact OD1-CG 3.36Å; D343-R345 IonicContact OD1-CZ 3.9Å; D343-R345 PolarHBondContact OD1-N 3.21Å; D343-R345 IonicContact OD1-NE 2.81Å; D343-R345 PolarHBondContact OD1-NE 3.23Å; D343-R345 IonicContact OD2-CZ 3.19Å; D343-R345 IonicContact OD2-NE 2.73Å; D343-R345 PolarHBondContact OD2-NE 2.71Å; D343-R345 IonicContact OD2-NH2 2.65Å; D343-R345 PolarHBondContact OD2-NH2 3.21Å |
| 344 | G | 84.8 | Confident | 90.3 | Very high | 67 Ų | 67 | 62.1 Ų | 62.1 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 86.9 | 1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N342 | N342-G344 VanDerWaalsContact C-N 3.31Š|
| 345 | R | 86.4 | Confident | 90.3 | Very high | 97 Ų | 97 | 58.6 Ų | 58.6 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | trans | -68.8 | 146.9 | 173.5 | 78.2 | -179.5 | 89.4 | 174.8 | 3.5 | 111.5 | T56 P341 D343 V347 | T56-R345 WeakPolarHBondContact O-CD 3.45Å; P341-R345 HydrophobicContact CB-CG 4.03Å; P341-R345 HydrophobicContact CG-CG 4.26Å; D343-R345 VanDerWaalsContact CG-NE 3.34Å; D343-R345 VanDerWaalsContact OD1-CG 3.29Å; D343-R345 WeakPolarHBondContact OD1-CG 3.36Å; D343-R345 IonicContact OD1-CZ 3.9Å; D343-R345 PolarHBondContact OD1-N 3.21Å; D343-R345 IonicContact OD1-NE 2.81Å; D343-R345 PolarHBondContact OD1-NE 3.23Å; D343-R345 IonicContact OD2-CZ 3.19Å; D343-R345 IonicContact OD2-NE 2.73Å; D343-R345 PolarHBondContact OD2-NE 2.71Å; D343-R345 IonicContact OD2-NH2 2.65Å; D343-R345 PolarHBondContact OD2-NH2 3.21Å; R345-V347 HydrophobicContact CG-CG1 3.75Å | ||
| 346 | N | 82.1 | Confident | 90.3 | Very high | 112 Ų | 112 | 56 Ų | 56 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | trans | -88 | 135.6 | 173.4 | -69.3 | -45.2 | 0 | 0 | 0 | 109.4 | D57 I58 | D57-N346 WeakPolarHBondContact CA-O 3.43Å; I58-N346 HydrophobicContact CB-CB 4.04Å; I58-N346 HydrophobicContact CD1-CB 4.36Å; I58-N346 WeakPolarHBondContact CG1-O 3.4Å; I58-N346 PolarHBondContact N-O 2.81Å | ||
| 347 | V | 83.7 | Confident | 90 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | trans | -137.8 | 153.2 | -176.6 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | T56 M337 K340 P341 R345 C349 | T56-V347 VanDerWaalsContact O-CG1 3.24Å; T56-V347 WeakPolarHBondContact O-CG1 3.42Å; M337-V347 HydrophobicContact CE-CB 4.08Å; M337-V347 HydrophobicContact CE-CG2 3.92Å; M337-V347 HydrophobicContact SD-CB 4.13Å; M337-V347 HydrophobicContact SD-CG1 3.98Å; M337-V347 HydrophobicContact SD-CG2 4.33Å; K340-V347 HydrophobicContact CG-CG2 4.28Å; P341-V347 HydrophobicContact CG-CG1 4.42Å; R345-V347 HydrophobicContact CG-CG1 3.75Å; V347-C349 PolarHBondContact O-N 2.82Å | ||
| 348 | V | 77.3 | Confident | 89.9 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | trans | -80.4 | 112.8 | 168.8 | -179 | 0 | 0 | 0 | 0 | 108.2 | N55 I58 H350 K365 | N55-V348 PolarHBondContact O-N 3.29Å; I58-V348 HydrophobicContact CD1-CG2 3.94Å; V348-H350 HydrophobicContact CG1-CB 4.36Å; V348-K365 WeakPolarHBondContact O-CE 3.22Å; V348-K365 PolarHBondContact O-NZ 3.01Å | ||
| 349 | C | 80 | Confident | 89.8 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 31% | 0.311 | 32% | 0.324 | S | S | . | . | trans | -85.6 | -14.6 | -174.1 | -83.2 | 0 | 0 | 0 | 0 | 115.4 | V347 C367 | V347-C349 PolarHBondContact O-N 2.82Å; C349-C367 WeakPolarHBondContact CA-SG 3.37Å; C349-C367 HydrophobicContact CB-CB 3.56Å; C349-C367 WeakPolarHBondContact CB-SG 3.41Å; C349-C367 WeakPolarHBondContact SG-CB 3.27Å; C349-C367 CovalentContact SG-SG 2.05Å; C349-C367 PolarHBondContact SG-SG 3.15Å | ||
| 350 | H | 79.4 | Confident | 89.9 | Confident | 112 Ų | 112 | 62.9 Ų | 62.9 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -54.8 | 125.9 | 178.9 | -172.9 | 72.3 | 0 | 0 | 0 | 110.8 | V348 T352 K365 | V348-H350 HydrophobicContact CG1-CB 4.36Å; H350-T352 PolarHBondContact O-N 3.17Å; H350-K365 PolarHBondContact O-NZ 2.91Å |
| 351 | P | 87.3 | Confident | 90.2 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | trans | -56.5 | 129.5 | 179.7 | -20.9 | 30.5 | 0 | 0 | 0 | 111.2 | K365 M366 T377 E381 | P351-K365 WeakPolarHBondContact CA-O 3.43Å; P351-M366 HydrophobicContact CB-CB 4.47Å; P351-M366 HydrophobicContact CB-CG 4.1Å; P351-M366 HydrophobicContact CB-SD 4.35Å; P351-M366 HydrophobicContact CG-CE 4.45Å; P351-M366 HydrophobicContact CG-CG 4.08Å; P351-M366 HydrophobicContact CG-SD 4.46Å; P351-T377 HydrophobicContact CB-CG2 3.74Å; P351-T377 HydrophobicContact CG-CG2 3.72Å; P351-E381 HydrophobicContact CB-CG 3.92Å | ||
| 352 | T | 90.3 | Very high | 90.5 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 138 | 172.9 | 47 | 0 | 0 | 0 | 0 | 112.4 | H350 W354 I364 K365 E381 | H350-T352 PolarHBondContact O-N 3.17Å; T352-W354 PolarHBondContact OG1-NE1 3.26Å; T352-I364 WeakPolarHBondContact O-CA 3.13Å; T352-K365 PolarHBondContact N-O 2.9Å; T352-K365 VanDerWaalsContact N-O 3.09Å; T352-K365 PolarHBondContact O-N 3.25Å; T352-K365 WeakPolarHBondContact OG1-CE 3.22Å; T352-K365 PolarHBondContact OG1-NZ 2.83Å; T352-E381 VanDerWaalsContact C-OE2 3.26Å; T352-E381 WeakPolarHBondContact CA-OE2 3.42Å |
| 353 | A | 96.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 136.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I364 E381 H384 N385 | A353-I364 HydrophobicContact CB-CG1 4.41Å; A353-E381 WeakPolarHBondContact CB-O 3.42Å; A353-E381 PolarHBondContact N-OE2 2.89Å; A353-H384 HydrophobicContact CB-CB 3.42Å; A353-H384 VanDerWaalsContact CB-CB 3.42Å; A353-N385 WeakPolarHBondContact CB-OD1 3.3Å |
| 354 | W | 97.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 17% | 0.17 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.9 | -172 | -66 | 67.2 | 0 | 0 | 0 | 111.8 | S51 W52 T352 M356 F362 R363 Q388 | S51-W354 WeakPolarHBondContact OG-CH2 3.16Å; W52-W354 AromaticContact CE3-CD2 3.92Å; W52-W354 HydrophobicContact CE3-CD2 3.92Å; W52-W354 HydrophobicContact CE3-CE3 4.43Å; W52-W354 AromaticContact CE3-CG 3.96Å; W52-W354 HydrophobicContact CE3-CG 3.96Å; W52-W354 HydrophobicContact CZ3-CB 4.43Å; W52-W354 AromaticContact CZ3-CD1 3.63Å; W52-W354 HydrophobicContact CZ3-CD2 4.24Å; W52-W354 AromaticContact CZ3-CG 3.86Å; W52-W354 HydrophobicContact CZ3-CG 3.86Å; W52-W354 AromaticContact CZ3-NE1 3.9Å; T352-W354 PolarHBondContact OG1-NE1 3.26Å; W354-M356 HydrophobicContact CB-SD 3.99Å; W354-M356 HydrophobicContact CE3-SD 4.3Å; W354-F362 CarbonylContact O-C 3.56Å; W354-F362 VanDerWaalsContact O-CA 3.23Å; W354-F362 WeakPolarHBondContact O-CA 3.47Å; W354-R363 HydrophobicContact CB-CB 4.35Å; W354-R363 PolarHBondContact N-O 3.41Å; W354-R363 PolarHBondContact O-N 2.71Å; W354-Q388 VanDerWaalsContact C-OE1 3.3Å |
| 355 | D | 96.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 113.9 | 154.4 | 177.9 | -1.3 | 0 | 0 | 0 | 107.5 | G357 F362 Q388 | D355-G357 PolarHBondContact O-N 2.76Å; D355-G357 WeakPolarHBondContact OD1-CA 3.48Å; D355-G357 PolarHBondContact OD1-N 2.88Å; D355-F362 HydrophobicContact CB-CD1 4.06Å; D355-F362 HydrophobicContact CB-CE1 3.98Å; D355-Q388 HydrophobicContact CB-CB 4.22Å; D355-Q388 HydrophobicContact CB-CG 4Å |
| 356 | M | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -75.6 | -6.2 | -178 | -55.8 | -65.3 | -68.5 | 0 | 0 | 112.1 | Y45 S48 L49 W52 W354 D361 R363 | Y45-M356 WeakPolarHBondContact CA-O 3.43Å; Y45-M356 HydrophobicContact CD2-CB 3.77Å; Y45-M356 WeakPolarHBondContact CD2-O 3.33Å; Y45-M356 HydrophobicContact CE2-CB 3.89Å; S48-M356 VanDerWaalsContact C-CE 3.49Å; S48-M356 WeakPolarHBondContact O-CE 3.43Å; S48-M356 PolarHBondContact OG-O 3.09Å; L49-M356 HydrophobicContact CD2-CE 3.93Å; L49-M356 HydrophobicContact CG-CE 4.24Å; W52-M356 HydrophobicContact CB-CE 3.94Å; W52-M356 HydrophobicContact CE3-SD 4.48Å; W52-M356 HydrophobicContact CG-CE 4.39Å; W354-M356 HydrophobicContact CB-SD 3.99Å; W354-M356 HydrophobicContact CE3-SD 4.3Å; M356-D361 HydrophobicContact CB-CB 3.92Å; M356-D361 WeakPolarHBondContact CB-O 3.29Å; M356-D361 HydrophobicContact CG-CB 3.97Å; M356-D361 WeakPolarHBondContact CG-O 3.33Å; M356-D361 PolarHBondContact N-O 3.04Å; M356-R363 HydrophobicContact CG-CG 4.21Å; M356-R363 HydrophobicContact SD-CG 4.34Å | ||
| 357 | G | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 97.9 | -9.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S41 D355 R399 | S41-G357 WeakPolarHBondContact CB-O 3.46Å; D355-G357 PolarHBondContact O-N 2.76Å; D355-G357 WeakPolarHBondContact OD1-CA 3.48Å; D355-G357 PolarHBondContact OD1-N 2.88Å; G357-R399 PolarHBondContact O-NH1 3.37Å |
| 358 | N | 94.8 | Very high | 93 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -95.3 | 7.7 | -179.5 | 74.2 | -19.1 | 0 | 0 | 0 | 114.2 | Y45 E360 D361 | Y45-N358 HydrophobicContact CD1-CB 4.46Å; Y45-N358 HydrophobicContact CD2-CB 3.84Å; Y45-N358 HydrophobicContact CE2-CB 4.37Å; Y45-N358 HydrophobicContact CG-CB 3.91Å; N358-E360 PolarHBondContact O-N 2.74Å; N358-E360 PolarHBondContact OD1-N 3.04Å; N358-D361 WeakPolarHBondContact OD1-CB 3.21Å; N358-D361 PolarHBondContact OD1-N 2.86Å |
| 359 | R | 95.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 36.5 Ų | 36.5 | 26% | 0.264 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 69.7 | -1.6 | -177 | -42.2 | 175.7 | -179.7 | -135.6 | -3.3 | 115.3 | D37 F362 R392 N393 R399 | D37-R359 IonicContact OD1-NH2 3.28Å; D37-R359 IonicContact OD2-CZ 3.87Å; D37-R359 IonicContact OD2-NH2 3.97Å; D37-R359 PolarHBondContact OD2-NH2 2.71Å; R359-F362 WeakPolarHBondContact O-CE2 2.89Å; R359-R392 HydrophobicContact CB-CB 4.32Å; R359-R392 WeakPolarHBondContact CD-O 3.49Å; R359-R392 VanDerWaalsContact CG-O 3.28Å; R359-R392 WeakPolarHBondContact CG-O 3.42Å; R359-R392 WeakPolarHBondContact O-CD 3.49Å; R359-N393 PolarHBondContact NH1-O 3.28Å; R359-N393 VanDerWaalsContact NH1-O 3.08Å; R359-R399 VanDerWaalsContact NH2-NH2 3.12Å |
| 360 | E | 96.1 | Very high | 94.4 | Very high | 132 Ų | 132 | 36 Ų | 36 | 62% | 0.617 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -129.6 | -19.3 | -170.2 | -65 | -177.6 | 172.2 | 0 | 0 | 113.8 | F329 N331 N358 | F329-E360 VanDerWaalsContact CD2-O 3.3Å; F329-E360 WeakPolarHBondContact CD2-O 3.35Å; N331-E360 PolarHBondContact ND2-O 3.39Å; N331-E360 PolarHBondContact OD1-O 3.48Å; N358-E360 PolarHBondContact O-N 2.74Å; N358-E360 PolarHBondContact OD1-N 3.04Å |
| 361 | D | 98 | Very high | 95 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | trans | -116.1 | 110.3 | -177.8 | -172.9 | 8.4 | 0 | 0 | 0 | 109.7 | Y45 N331 M356 N358 R363 | Y45-D361 HydrophobicContact CE2-CB 3.99Å; N331-D361 WeakPolarHBondContact ND2-CA 3.41Å; M356-D361 HydrophobicContact CB-CB 3.92Å; M356-D361 WeakPolarHBondContact CB-O 3.29Å; M356-D361 HydrophobicContact CG-CB 3.97Å; M356-D361 WeakPolarHBondContact CG-O 3.33Å; M356-D361 PolarHBondContact N-O 3.04Å; N358-D361 WeakPolarHBondContact OD1-CB 3.21Å; N358-D361 PolarHBondContact OD1-N 2.86Å; D361-R363 WeakPolarHBondContact OD1-CG 3.43Å; D361-R363 IonicContact OD1-CZ 2.8Å; D361-R363 IonicContact OD1-NE 2.95Å; D361-R363 PolarHBondContact OD1-NE 3.27Å; D361-R363 IonicContact OD1-NH2 2.61Å; D361-R363 IonicContact OD2-CZ 3.18Å; D361-R363 VanDerWaalsContact OD2-CZ 3.31Å; D361-R363 IonicContact OD2-NE 2.9Å; D361-R363 PolarHBondContact OD2-NE 3.14Å; D361-R363 IonicContact OD2-NH2 3.73Å; D361-R363 PolarHBondContact OD2-NH2 3.32Å | ||
| 362 | F | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.2 | 177.5 | -56.4 | -86 | 0 | 0 | 0 | 108.1 | F329 F332 W354 D355 R359 N385 Q388 M389 R392 | F329-F362 AromaticContact CD2-CD2 3.88Å; F329-F362 HydrophobicContact CD2-CD2 3.88Å; F329-F362 HydrophobicContact CD2-CE2 4.11Å; F329-F362 HydrophobicContact CE2-CD2 4.03Å; F329-F362 AromaticContact CE2-CE2 3.76Å; F329-F362 HydrophobicContact CE2-CE2 3.76Å; F332-F362 WeakPolarHBondContact CD2-O 3.28Å; W354-F362 CarbonylContact O-C 3.56Å; W354-F362 VanDerWaalsContact O-CA 3.23Å; W354-F362 WeakPolarHBondContact O-CA 3.47Å; D355-F362 HydrophobicContact CB-CD1 4.06Å; D355-F362 HydrophobicContact CB-CE1 3.98Å; R359-F362 WeakPolarHBondContact O-CE2 2.89Å; F362-N385 WeakPolarHBondContact CB-ND2 3.45Å; F362-Q388 HydrophobicContact CD1-CB 3.82Å; F362-Q388 HydrophobicContact CE1-CB 3.71Å; F362-M389 HydrophobicContact CD1-CG 4.27Å; F362-M389 HydrophobicContact CD2-CG 3.66Å; F362-M389 HydrophobicContact CD2-SD 4.46Å; F362-M389 HydrophobicContact CE1-CG 4.29Å; F362-M389 HydrophobicContact CE2-CG 3.68Å; F362-M389 HydrophobicContact CG-CG 3.97Å; F362-M389 HydrophobicContact CZ-CG 4.01Å; F362-R392 HydrophobicContact CZ-CB 3.93Å |
| 363 | R | 98.6 | Very high | 95 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 7% | 0.072 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 158 | -172.8 | -52.3 | -177.2 | -173.1 | -169.8 | 2 | 112.1 | W52 N335 S336 W354 M356 D361 N385 | W52-R363 HydrophobicContact CE3-CB 4.21Å; W52-R363 HydrophobicContact CH2-CB 3.54Å; W52-R363 HydrophobicContact CH2-CG 4.38Å; W52-R363 HydrophobicContact CZ2-CB 4.2Å; W52-R363 HydrophobicContact CZ3-CB 3.53Å; W52-R363 HydrophobicContact CZ3-CG 4.41Å; W52-R363 VanDerWaalsContact NE1-NH1 3.11Å; N335-R363 HydrophobicContact CB-CG 4.22Å; S336-R363 WeakPolarHBondContact OG-CA 3.39Å; W354-R363 HydrophobicContact CB-CB 4.35Å; W354-R363 PolarHBondContact N-O 3.41Å; W354-R363 PolarHBondContact O-N 2.71Å; M356-R363 HydrophobicContact CG-CG 4.21Å; M356-R363 HydrophobicContact SD-CG 4.34Å; D361-R363 WeakPolarHBondContact OD1-CG 3.43Å; D361-R363 IonicContact OD1-CZ 2.8Å; D361-R363 IonicContact OD1-NE 2.95Å; D361-R363 PolarHBondContact OD1-NE 3.27Å; D361-R363 IonicContact OD1-NH2 2.61Å; D361-R363 IonicContact OD2-CZ 3.18Å; D361-R363 VanDerWaalsContact OD2-CZ 3.31Å; D361-R363 IonicContact OD2-NE 2.9Å; D361-R363 PolarHBondContact OD2-NE 3.14Å; D361-R363 IonicContact OD2-NH2 3.73Å; D361-R363 PolarHBondContact OD2-NH2 3.32Å; R363-N385 PolarHBondContact N-ND2 3.12Å; R363-N385 PolarHBondContact O-ND2 3.15Å |
| 364 | I | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.3 | 164.9 | -73.6 | 169.4 | 0 | 0 | 0 | 109.8 | W52 F313 F332 S336 M337 L338 T352 A353 M366 E381 M382 N385 | W52-I364 WeakPolarHBondContact CH2-O 3.44Å; F313-I364 HydrophobicContact CD1-CD1 4.44Å; F313-I364 HydrophobicContact CE1-CB 4.37Å; F313-I364 HydrophobicContact CE1-CD1 4.03Å; F313-I364 HydrophobicContact CE1-CG2 3.9Å; F313-I364 HydrophobicContact CZ-CG2 4.26Å; F332-I364 HydrophobicContact CE2-CB 4.05Å; F332-I364 HydrophobicContact CE2-CD1 3.84Å; F332-I364 HydrophobicContact CE2-CG1 3.81Å; F332-I364 HydrophobicContact CZ-CB 4.36Å; F332-I364 HydrophobicContact CZ-CD1 3.88Å; F332-I364 HydrophobicContact CZ-CG1 4.27Å; S336-I364 VanDerWaalsContact CB-O 3.27Å; S336-I364 WeakPolarHBondContact CB-O 3.4Å; S336-I364 PolarHBondContact OG-N 3.02Å; M337-I364 PolarHBondContact N-O 2.83Å; L338-I364 HydrophobicContact CD2-CB 4.06Å; L338-I364 HydrophobicContact CD2-CG2 4.23Å; T352-I364 WeakPolarHBondContact O-CA 3.13Å; A353-I364 HydrophobicContact CB-CG1 4.41Å; I364-M366 HydrophobicContact CG2-CB 4.04Å; I364-E381 HydrophobicContact CD1-CB 3.77Å; I364-E381 HydrophobicContact CG1-CB 4.17Å; I364-E381 HydrophobicContact CG2-CB 4.38Å; I364-M382 HydrophobicContact CD1-CB 4.18Å; I364-N385 VanDerWaalsContact CG1-OD1 3.23Å; I364-N385 WeakPolarHBondContact CG1-OD1 3.41Å |
| 365 | K | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 103.7 | 173 | -174.8 | -166.5 | 57.8 | 48.9 | 0 | 109.6 | W52 N55 T56 M337 V348 H350 P351 T352 | W52-K365 HydrophobicContact CH2-CB 3.75Å; W52-K365 HydrophobicContact CZ3-CB 3.75Å; N55-K365 HydrophobicContact CB-CD 3.81Å; T56-K365 HydrophobicContact CG2-CD 3.98Å; T56-K365 HydrophobicContact CG2-CG 4.09Å; M337-K365 HydrophobicContact CB-CG 4.31Å; M337-K365 HydrophobicContact CE-CD 4.18Å; M337-K365 HydrophobicContact CE-CG 3.44Å; M337-K365 VanDerWaalsContact CE-CG 3.44Å; M337-K365 WeakPolarHBondContact O-CA 3.41Å; M337-K365 HydrophobicContact SD-CG 4.38Å; V348-K365 WeakPolarHBondContact O-CE 3.22Å; V348-K365 PolarHBondContact O-NZ 3.01Å; H350-K365 PolarHBondContact O-NZ 2.91Å; P351-K365 WeakPolarHBondContact CA-O 3.43Å; T352-K365 PolarHBondContact N-O 2.9Å; T352-K365 VanDerWaalsContact N-O 3.09Å; T352-K365 PolarHBondContact O-N 3.25Å; T352-K365 WeakPolarHBondContact OG1-CE 3.22Å; T352-K365 PolarHBondContact OG1-NZ 2.83Å |
| 366 | M | 94.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | trans | -144.4 | 135.7 | -178 | -175.1 | 178 | 174.8 | 0 | 0 | 110.8 | F313 M337 L338 P351 I364 T368 D374 T377 V378 | F313-M366 HydrophobicContact CZ-SD 4.32Å; M337-M366 PolarHBondContact O-N 2.92Å; L338-M366 CarbonylContact C-O 3.21Å; L338-M366 VanDerWaalsContact C-O 3.3Å; P351-M366 HydrophobicContact CB-CB 4.47Å; P351-M366 HydrophobicContact CB-CG 4.1Å; P351-M366 HydrophobicContact CB-SD 4.35Å; P351-M366 HydrophobicContact CG-CE 4.45Å; P351-M366 HydrophobicContact CG-CG 4.08Å; P351-M366 HydrophobicContact CG-SD 4.46Å; I364-M366 HydrophobicContact CG2-CB 4.04Å; M366-T368 HydrophobicContact CE-CG2 4.35Å; M366-T368 VanDerWaalsContact CG-OG1 3.31Å; M366-T368 WeakPolarHBondContact CG-OG1 3.41Å; M366-T368 PolarHBondContact O-N 2.86Å; M366-T368 VanDerWaalsContact O-N 3.15Å; M366-T368 PolarHBondContact SD-OG1 3.35Å; M366-T368 VanDerWaalsContact SD-OG1 3.34Å; M366-D374 HydrophobicContact CE-CB 3.73Å; M366-D374 VanDerWaalsContact CE-OD2 3.31Å; M366-D374 WeakPolarHBondContact CE-OD2 3.48Å; M366-T377 HydrophobicContact CE-CG2 3.67Å; M366-T377 HydrophobicContact SD-CG2 3.97Å; M366-V378 HydrophobicContact CE-CG2 4.29Å; M366-V378 HydrophobicContact SD-CG2 3.81Å | ||
| 367 | C | 92.1 | Very high | 94.5 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 12% | 0.122 | 16% | 0.162 | C | C | . | . | trans | -86.8 | 65.9 | 170 | -68 | 0 | 0 | 0 | 0 | 110 | K340 C349 | K340-C367 HydrophobicContact CB-CB 4Å; C349-C367 WeakPolarHBondContact CA-SG 3.37Å; C349-C367 HydrophobicContact CB-CB 3.56Å; C349-C367 WeakPolarHBondContact CB-SG 3.41Å; C349-C367 WeakPolarHBondContact SG-CB 3.27Å; C349-C367 CovalentContact SG-SG 2.05Å; C349-C367 PolarHBondContact SG-SG 3.15Å | ||
| 368 | T | 94.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | trans | -60.2 | 139.3 | -171.8 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | E309 F312 F313 L338 M366 D374 V378 | E309-T368 HydrophobicContact CB-CG2 3.9Å; E309-T368 HydrophobicContact CG-CG2 3.93Å; E309-T368 WeakPolarHBondContact CG-O 3.32Å; F312-T368 HydrophobicContact CD2-CG2 3.97Å; F312-T368 HydrophobicContact CE2-CG2 4.42Å; F313-T368 HydrophobicContact CE2-CG2 4.34Å; L338-T368 VanDerWaalsContact O-CB 3.28Å; L338-T368 WeakPolarHBondContact O-CB 3.36Å; L338-T368 PolarHBondContact O-OG1 3.22Å; L338-T368 VanDerWaalsContact O-OG1 3.04Å; M366-T368 HydrophobicContact CE-CG2 4.35Å; M366-T368 VanDerWaalsContact CG-OG1 3.31Å; M366-T368 WeakPolarHBondContact CG-OG1 3.41Å; M366-T368 PolarHBondContact O-N 2.86Å; M366-T368 VanDerWaalsContact O-N 3.15Å; M366-T368 PolarHBondContact SD-OG1 3.35Å; M366-T368 VanDerWaalsContact SD-OG1 3.34Å; T368-D374 VanDerWaalsContact CA-OD2 3.32Å; T368-D374 WeakPolarHBondContact CA-OD2 3.14Å; T368-D374 HydrophobicContact CG2-CB 4.28Å; T368-V378 HydrophobicContact CG2-CG2 4.33Å | ||
| 369 | K | 91.9 | Very high | 94.8 | Very high | 140 Ų | 140 | 30.8 Ų | 30.8 | 61% | 0.609 | 15% | 0.151 | S | C | * | . | trans | -122 | 152.5 | 172.5 | -63.6 | 177.3 | -174.2 | 170.3 | 0 | 109.1 | F312 N371 D374 | F312-K369 WeakPolarHBondContact CE2-O 3.49Å; K369-N371 PolarHBondContact O-N 3.36Å; K369-D374 PolarHBondContact N-OD2 3.37Å; K369-D374 WeakPolarHBondContact O-CB 3.27Å | ||
| 370 | V | 95.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 28.1 Ų | 28.1 | 21% | 0.212 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -77.6 | 85.6 | 178 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | M302 V303 W307 F312 | M302-V370 HydrophobicContact CB-CG1 3.84Å; V303-V370 HydrophobicContact CG2-CB 4.36Å; V303-V370 HydrophobicContact CG2-CG1 3.9Å; W307-V370 HydrophobicContact CB-CG1 4.43Å; F312-V370 HydrophobicContact CE1-CG1 4.34Å; F312-V370 HydrophobicContact CZ-CB 4.43Å; F312-V370 HydrophobicContact CZ-CG1 4.09Å |
| 371 | N | 91.5 | Very high | 94.8 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 17% | 0.171 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -152 | 167.3 | 172.9 | 71.2 | 65.9 | 0 | 0 | 0 | 110.6 | S299 F312 K369 D373 D374 F375 | S299-N371 WeakPolarHBondContact OG-CA 3.46Å; F312-N371 WeakPolarHBondContact CE2-O 3.46Å; K369-N371 PolarHBondContact O-N 3.36Å; N371-D373 WeakPolarHBondContact OD1-CA 3.47Å; N371-D373 WeakPolarHBondContact OD1-CB 3.48Å; N371-D373 PolarHBondContact OD1-N 3.37Å; N371-D374 PolarHBondContact ND2-OD1 3.44Å; N371-D374 PolarHBondContact OD1-N 3.22Å; N371-D374 PolarHBondContact OD1-OD1 3.11Å; N371-F375 PolarHBondContact O-N 3.05Å; N371-F375 VanDerWaalsContact O-N 3.1Å |
| 372 | M | 90.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 3% | 0.034 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.4 | -37.7 | -177.9 | -176.7 | 176.7 | -178.6 | 0 | 0 | 112.8 | I296 V298 S299 F375 L376 A419 L424 | I296-M372 HydrophobicContact CG2-CE 4.29Å; V298-M372 HydrophobicContact CG2-CB 4.09Å; V298-M372 HydrophobicContact CG2-CG 3.94Å; V298-M372 HydrophobicContact CG2-SD 4.01Å; S299-M372 PolarHBondContact OG-N 2.83Å; M372-F375 WeakPolarHBondContact O-CB 3.2Å; M372-F375 PolarHBondContact O-N 2.8Å; M372-L376 HydrophobicContact CE-CD1 4.21Å; M372-L376 HydrophobicContact CG-CD1 4.47Å; M372-L376 WeakPolarHBondContact O-CG 3.42Å; M372-L376 PolarHBondContact O-N 3.21Å; M372-A419 HydrophobicContact CE-CB 4.38Å; M372-L424 HydrophobicContact CE-CD1 3.93Å |
| 373 | D | 87.6 | Confident | 94.8 | Very high | 82 Ų | 82 | 22.5 Ų | 22.5 | 44% | 0.439 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62.3 | -50.1 | -179.6 | -65.2 | -22.7 | 0 | 0 | 0 | 110.3 | N371 F375 L376 T377 | N371-D373 WeakPolarHBondContact OD1-CA 3.47Å; N371-D373 WeakPolarHBondContact OD1-CB 3.48Å; N371-D373 PolarHBondContact OD1-N 3.37Å; D373-F375 VanDerWaalsContact C-N 3.3Å; D373-F375 PolarHBondContact O-N 3.28Å; D373-L376 PolarHBondContact O-N 2.94Å; D373-L376 VanDerWaalsContact O-N 3.11Å; D373-T377 PolarHBondContact O-N 2.8Å; D373-T377 PolarHBondContact O-OG1 3.48Å; D373-T377 VanDerWaalsContact O-OG1 3.08Å |
| 374 | D | 93 | Very high | 94.7 | Very high | 27 Ų | 27 | 22.3 Ų | 22.3 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 175.8 | -80 | 56.5 | 0 | 0 | 0 | 112 | F312 M366 T368 K369 N371 L376 T377 V378 | F312-D374 HydrophobicContact CE2-CB 4.21Å; M366-D374 HydrophobicContact CE-CB 3.73Å; M366-D374 VanDerWaalsContact CE-OD2 3.31Å; M366-D374 WeakPolarHBondContact CE-OD2 3.48Å; T368-D374 VanDerWaalsContact CA-OD2 3.32Å; T368-D374 WeakPolarHBondContact CA-OD2 3.14Å; T368-D374 HydrophobicContact CG2-CB 4.28Å; K369-D374 PolarHBondContact N-OD2 3.37Å; K369-D374 WeakPolarHBondContact O-CB 3.27Å; N371-D374 PolarHBondContact ND2-OD1 3.44Å; N371-D374 PolarHBondContact OD1-N 3.22Å; N371-D374 PolarHBondContact OD1-OD1 3.11Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 PolarHBondContact O-N 2.75Å; D374-T377 PolarHBondContact O-N 2.87Å; D374-V378 VanDerWaalsContact O-CG2 3.26Å; D374-V378 WeakPolarHBondContact O-CG2 3.46Å; D374-V378 PolarHBondContact O-N 2.84Å |
| 375 | F | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 173.2 | 169.8 | -99.4 | 0 | 0 | 0 | 112.1 | M302 W307 F312 N371 M372 D373 H379 A418 L424 L427 | M302-F375 HydrophobicContact CE-CB 3.61Å; M302-F375 HydrophobicContact CE-CD1 3.96Å; M302-F375 HydrophobicContact CE-CD2 3.86Å; M302-F375 HydrophobicContact CE-CG 3.53Å; M302-F375 HydrophobicContact SD-CB 4.41Å; W307-F375 HydrophobicContact CZ3-CD2 4.29Å; W307-F375 HydrophobicContact CZ3-CE2 4.09Å; F312-F375 HydrophobicContact CB-CD2 4.46Å; F312-F375 HydrophobicContact CD1-CD2 4.32Å; F312-F375 VanDerWaalsContact CD2-CA 3.5Å; F312-F375 HydrophobicContact CD2-CB 3.85Å; F312-F375 HydrophobicContact CD2-CD2 4.45Å; F312-F375 HydrophobicContact CE2-CB 3.69Å; F312-F375 HydrophobicContact CG-CB 4.39Å; F312-F375 HydrophobicContact CG-CD2 4.17Å; F312-F375 HydrophobicContact CZ-CB 4.12Å; N371-F375 PolarHBondContact O-N 3.05Å; N371-F375 VanDerWaalsContact O-N 3.1Å; M372-F375 WeakPolarHBondContact O-CB 3.2Å; M372-F375 PolarHBondContact O-N 2.8Å; D373-F375 VanDerWaalsContact C-N 3.3Å; D373-F375 PolarHBondContact O-N 3.28Å; F375-H379 AromaticContact CE1-CE1 3.88Å; F375-H379 AromaticContact CE2-CE1 3.44Å; F375-H379 VanDerWaalsContact CE2-CE1 3.44Å; F375-H379 WeakPolarHBondContact CE2-CE1 3.46Å; F375-H379 AromaticContact CZ-CE1 3.33Å; F375-H379 WeakPolarHBondContact CZ-CE1 3.39Å; F375-H379 PolarHBondContact O-N 2.78Å; F375-H379 PolarHBondContact O-ND1 2.81Å; F375-A418 HydrophobicContact CE1-CB 4.23Å; F375-L424 HydrophobicContact CE1-CD2 4.14Å; F375-L427 HydrophobicContact CE2-CD1 4.25Å; F375-L427 HydrophobicContact CZ-CD1 3.68Å |
| 376 | L | 93.8 | Very high | 94.7 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 15% | 0.147 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.4 | -39.1 | 175.8 | -63.1 | -179.4 | 0 | 0 | 0 | 111.8 | M372 D373 D374 V378 H379 H380 A418 A419 | M372-L376 HydrophobicContact CE-CD1 4.21Å; M372-L376 HydrophobicContact CG-CD1 4.47Å; M372-L376 WeakPolarHBondContact O-CG 3.42Å; M372-L376 PolarHBondContact O-N 3.21Å; D373-L376 PolarHBondContact O-N 2.94Å; D373-L376 VanDerWaalsContact O-N 3.11Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 PolarHBondContact O-N 2.75Å; L376-V378 VanDerWaalsContact C-N 3.28Å; L376-V378 PolarHBondContact O-N 3.26Å; L376-H379 WeakPolarHBondContact O-CB 3.24Å; L376-H379 PolarHBondContact O-N 3.09Å; L376-H379 VanDerWaalsContact O-N 3.15Å; L376-H380 PolarHBondContact O-N 2.97Å; L376-A418 HydrophobicContact CD2-CB 4.05Å; L376-A419 HydrophobicContact CD1-CB 3.96Å; L376-A419 HydrophobicContact CD2-CB 3.76Å |
| 377 | T | 93.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 22.1 Ų | 22.1 | 25% | 0.252 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60.7 | -37.8 | 174 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | P351 M366 D373 D374 H379 H380 E381 | P351-T377 HydrophobicContact CB-CG2 3.74Å; P351-T377 HydrophobicContact CG-CG2 3.72Å; M366-T377 HydrophobicContact CE-CG2 3.67Å; M366-T377 HydrophobicContact SD-CG2 3.97Å; D373-T377 PolarHBondContact O-N 2.8Å; D373-T377 PolarHBondContact O-OG1 3.48Å; D373-T377 VanDerWaalsContact O-OG1 3.08Å; D374-T377 PolarHBondContact O-N 2.87Å; T377-H379 VanDerWaalsContact C-N 3.32Å; T377-H379 PolarHBondContact O-N 3.18Å; T377-H380 WeakPolarHBondContact O-CB 2.98Å; T377-H380 PolarHBondContact O-N 3.32Å; T377-H380 VanDerWaalsContact O-N 3.13Å; T377-E381 HydrophobicContact CG2-CG 4.11Å; T377-E381 WeakPolarHBondContact O-CG 3.34Å; T377-E381 PolarHBondContact O-N 3.1Å |
| 378 | V | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 174.9 | 167.4 | 0 | 0 | 0 | 0 | 112 | F312 F313 A316 M366 T368 D374 L376 H380 M382 | F312-V378 HydrophobicContact CB-CB 4.34Å; F312-V378 HydrophobicContact CB-CG1 4.21Å; F312-V378 HydrophobicContact CB-CG2 4.13Å; F312-V378 HydrophobicContact CD2-CG2 4.41Å; F313-V378 HydrophobicContact CB-CG1 4.26Å; F313-V378 HydrophobicContact CD1-CB 4.49Å; F313-V378 HydrophobicContact CD1-CG1 3.47Å; F313-V378 VanDerWaalsContact CD1-CG1 3.47Å; F313-V378 HydrophobicContact CD1-CG2 4.3Å; F313-V378 HydrophobicContact CD2-CG1 4.21Å; F313-V378 HydrophobicContact CD2-CG2 4.23Å; F313-V378 HydrophobicContact CE1-CB 4.27Å; F313-V378 HydrophobicContact CE1-CG1 3.7Å; F313-V378 HydrophobicContact CE1-CG2 3.78Å; F313-V378 HydrophobicContact CE2-CG1 4.42Å; F313-V378 HydrophobicContact CE2-CG2 3.71Å; F313-V378 HydrophobicContact CG-CG1 3.74Å; F313-V378 HydrophobicContact CG-CG2 4.49Å; F313-V378 HydrophobicContact CZ-CB 4.43Å; F313-V378 HydrophobicContact CZ-CG1 4.19Å; F313-V378 HydrophobicContact CZ-CG2 3.46Å; F313-V378 VanDerWaalsContact CZ-CG2 3.46Å; A316-V378 HydrophobicContact CB-CG1 3.89Å; M366-V378 HydrophobicContact CE-CG2 4.29Å; M366-V378 HydrophobicContact SD-CG2 3.81Å; T368-V378 HydrophobicContact CG2-CG2 4.33Å; D374-V378 VanDerWaalsContact O-CG2 3.26Å; D374-V378 WeakPolarHBondContact O-CG2 3.46Å; D374-V378 PolarHBondContact O-N 2.84Å; L376-V378 VanDerWaalsContact C-N 3.28Å; L376-V378 PolarHBondContact O-N 3.26Å; V378-H380 VanDerWaalsContact C-N 3.35Å; V378-M382 VanDerWaalsContact O-CB 3.25Å; V378-M382 WeakPolarHBondContact O-CB 3.28Å; V378-M382 PolarHBondContact O-N 3.05Å |
| 379 | H | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 173.3 | -72.4 | 72 | 0 | 0 | 0 | 111.7 | F320 F375 L376 T377 G383 M414 A418 | F320-H379 WeakPolarHBondContact CZ-O 3.4Å; F375-H379 AromaticContact CE1-CE1 3.88Å; F375-H379 AromaticContact CE2-CE1 3.44Å; F375-H379 VanDerWaalsContact CE2-CE1 3.44Å; F375-H379 WeakPolarHBondContact CE2-CE1 3.46Å; F375-H379 AromaticContact CZ-CE1 3.33Å; F375-H379 WeakPolarHBondContact CZ-CE1 3.39Å; F375-H379 PolarHBondContact O-N 2.78Å; F375-H379 PolarHBondContact O-ND1 2.81Å; L376-H379 WeakPolarHBondContact O-CB 3.24Å; L376-H379 PolarHBondContact O-N 3.09Å; L376-H379 VanDerWaalsContact O-N 3.15Å; T377-H379 VanDerWaalsContact C-N 3.32Å; T377-H379 PolarHBondContact O-N 3.18Å; H379-G383 PolarHBondContact O-N 3.06Å; H379-M414 HydrophobicContact CB-CB 4.25Å; H379-A418 HydrophobicContact CB-CB 4.47Å |
| 380 | H | 95.4 | Very high | 95.6 | Very high | 14 Ų | 14 | 15.4 Ų | 15.4 | 7% | 0.065 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60 | -57.3 | 176.4 | -176.9 | 95.3 | 0 | 0 | 0 | 112.1 | L376 T377 V378 M382 G383 H384 E408 G411 E412 R524 | L376-H380 PolarHBondContact O-N 2.97Å; T377-H380 WeakPolarHBondContact O-CB 2.98Å; T377-H380 PolarHBondContact O-N 3.32Å; T377-H380 VanDerWaalsContact O-N 3.13Å; V378-H380 VanDerWaalsContact C-N 3.35Å; H380-M382 PolarHBondContact O-N 3.14Å; H380-G383 WeakPolarHBondContact O-CA 3.25Å; H380-G383 PolarHBondContact O-N 3.1Å; H380-H384 AromaticContact CD2-NE2 3.56Å; H380-H384 AromaticContact NE2-CE1 3.44Å; H380-H384 PolarHBondContact NE2-CE1 3.06Å; H380-H384 AromaticContact NE2-NE2 3.07Å; H380-H384 PolarHBondContact NE2-NE2 2.75Å; H380-H384 PolarHBondContact O-N 2.85Å; H380-E408 IonicContact CE1-OE2 3.88Å; H380-E408 IonicContact NE2-OE2 3.71Å; H380-G411 WeakPolarHBondContact CA-O 3.47Å; H380-G411 VanDerWaalsContact ND1-C 3.33Å; H380-G411 WeakPolarHBondContact O-CA 3.5Å; H380-E412 IonicContact CE1-OE1 3.42Å; H380-E412 PolarHBondContact CE1-OE1 3.09Å; H380-E412 IonicContact CG-OE1 2.74Å; H380-E412 IonicContact ND1-OE1 3.65Å; H380-E412 PolarHBondContact ND1-OE1 3.3Å; H380-R524 PolarHBondContact CE1-NH1 3.22Å |
| 381 | E | 96.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 14 Ų | 14 | 8% | 0.084 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | -177.8 | -64 | -55.7 | 139.8 | 0 | 0 | 111.7 | P351 T352 A353 I364 T377 G383 H384 N385 | P351-E381 HydrophobicContact CB-CG 3.92Å; T352-E381 VanDerWaalsContact C-OE2 3.26Å; T352-E381 WeakPolarHBondContact CA-OE2 3.42Å; A353-E381 WeakPolarHBondContact CB-O 3.42Å; A353-E381 PolarHBondContact N-OE2 2.89Å; I364-E381 HydrophobicContact CD1-CB 3.77Å; I364-E381 HydrophobicContact CG1-CB 4.17Å; I364-E381 HydrophobicContact CG2-CB 4.38Å; T377-E381 HydrophobicContact CG2-CG 4.11Å; T377-E381 WeakPolarHBondContact O-CG 3.34Å; T377-E381 PolarHBondContact O-N 3.1Å; E381-G383 VanDerWaalsContact C-N 3.25Å; E381-G383 PolarHBondContact O-N 2.82Å; E381-H384 VanDerWaalsContact O-CB 3.3Å; E381-H384 WeakPolarHBondContact O-CB 3.36Å; E381-H384 PolarHBondContact O-N 2.85Å; E381-H384 VanDerWaalsContact O-N 3.1Å; E381-H384 IonicContact OE2-CD2 3.85Å; E381-N385 PolarHBondContact O-N 3.22Å; E381-N385 PolarHBondContact O-OD1 3.02Å |
| 382 | M | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.8 | -29.7 | 174.8 | -173.3 | 172.8 | -66.5 | 0 | 0 | 112 | F313 A316 E317 F320 M328 F332 W333 I364 V378 H380 H384 N385 Q386 | F313-M382 HydrophobicContact CB-CE 4.23Å; F313-M382 HydrophobicContact CD1-CE 4.08Å; F313-M382 WeakPolarHBondContact O-CE 3.37Å; A316-M382 HydrophobicContact CB-CE 4.16Å; A316-M382 HydrophobicContact CB-SD 3.78Å; E317-M382 VanDerWaalsContact CA-SD 3.57Å; E317-M382 HydrophobicContact CB-CE 4.41Å; E317-M382 HydrophobicContact CB-SD 4.03Å; E317-M382 PolarHBondContact N-SD 3.35Å; F320-M382 HydrophobicContact CD2-CB 4.37Å; F320-M382 HydrophobicContact CD2-CG 3.75Å; F320-M382 HydrophobicContact CD2-SD 3.68Å; F320-M382 HydrophobicContact CE2-CB 3.7Å; F320-M382 HydrophobicContact CE2-CG 3.58Å; F320-M382 HydrophobicContact CE2-SD 3.94Å; F320-M382 HydrophobicContact CZ-CB 4.4Å; F320-M382 HydrophobicContact CZ-CG 4.46Å; M328-M382 HydrophobicContact CG-CE 4.14Å; M328-M382 HydrophobicContact CG-SD 4.15Å; M328-M382 HydrophobicContact SD-CG 4.05Å; M328-M382 HydrophobicContact SD-SD 4.31Å; F332-M382 HydrophobicContact CE1-CE 4.17Å; F332-M382 HydrophobicContact CZ-CE 4.07Å; W333-M382 HydrophobicContact CH2-CE 4.5Å; I364-M382 HydrophobicContact CD1-CB 4.18Å; V378-M382 VanDerWaalsContact O-CB 3.25Å; V378-M382 WeakPolarHBondContact O-CB 3.28Å; V378-M382 PolarHBondContact O-N 3.05Å; H380-M382 PolarHBondContact O-N 3.14Å; M382-H384 VanDerWaalsContact C-N 3.28Å; M382-H384 PolarHBondContact O-N 3.44Å; M382-N385 PolarHBondContact O-N 2.9Å; M382-Q386 VanDerWaalsContact O-CG 3.25Å; M382-Q386 WeakPolarHBondContact O-CG 3.12Å; M382-Q386 PolarHBondContact O-N 3.05Å |
| 383 | G | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.6 | -37.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H379 H380 E381 Q386 Y387 | H379-G383 PolarHBondContact O-N 3.06Å; H380-G383 WeakPolarHBondContact O-CA 3.25Å; H380-G383 PolarHBondContact O-N 3.1Å; E381-G383 VanDerWaalsContact C-N 3.25Å; E381-G383 PolarHBondContact O-N 2.82Å; G383-Q386 PolarHBondContact O-N 3.5Å; G383-Y387 PolarHBondContact O-N 2.56Å; G383-Y387 VanDerWaalsContact O-N 3.07Å |
| 384 | H | 96.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 7% | 0.069 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 171.6 | -68.2 | -24.8 | 0 | 0 | 0 | 112.3 | A353 H380 E381 M382 Q386 Y387 Q388 H407 | A353-H384 HydrophobicContact CB-CB 3.42Å; A353-H384 VanDerWaalsContact CB-CB 3.42Å; H380-H384 AromaticContact CD2-NE2 3.56Å; H380-H384 AromaticContact NE2-CE1 3.44Å; H380-H384 PolarHBondContact NE2-CE1 3.06Å; H380-H384 AromaticContact NE2-NE2 3.07Å; H380-H384 PolarHBondContact NE2-NE2 2.75Å; H380-H384 PolarHBondContact O-N 2.85Å; E381-H384 VanDerWaalsContact O-CB 3.3Å; E381-H384 WeakPolarHBondContact O-CB 3.36Å; E381-H384 PolarHBondContact O-N 2.85Å; E381-H384 VanDerWaalsContact O-N 3.1Å; E381-H384 IonicContact OE2-CD2 3.85Å; M382-H384 VanDerWaalsContact C-N 3.28Å; M382-H384 PolarHBondContact O-N 3.44Å; H384-Q386 VanDerWaalsContact C-N 3.26Å; H384-Q386 PolarHBondContact O-N 2.99Å; H384-Y387 PolarHBondContact O-N 3.47Å; H384-Y387 VanDerWaalsContact O-N 3.15Å; H384-Q388 VanDerWaalsContact O-CG 3.3Å; H384-Q388 WeakPolarHBondContact O-CG 3.38Å; H384-Q388 PolarHBondContact O-N 3.29Å; H384-H407 AromaticContact CE1-ND1 3.8Å; H384-H407 PolarHBondContact CE1-O 3.02Å; H384-H407 AromaticContact CG-CE1 3.78Å; H384-H407 AromaticContact CG-ND1 3.73Å; H384-H407 AromaticContact ND1-CE1 3.63Å; H384-H407 AromaticContact ND1-ND1 3.13Å; H384-H407 PolarHBondContact ND1-ND1 3.21Å; H384-H407 VanDerWaalsContact ND1-ND1 3.13Å; H384-H407 PolarHBondContact ND1-O 3.41Å |
| 385 | N | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60 | -37.5 | 176.1 | -72.7 | 73.7 | 0 | 0 | 0 | 112 | M328 A353 F362 R363 I364 E381 M382 Q388 M389 | M328-N385 HydrophobicContact CE-CB 3.77Å; M328-N385 HydrophobicContact SD-CB 4.5Å; A353-N385 WeakPolarHBondContact CB-OD1 3.3Å; F362-N385 WeakPolarHBondContact CB-ND2 3.45Å; R363-N385 PolarHBondContact N-ND2 3.12Å; R363-N385 PolarHBondContact O-ND2 3.15Å; I364-N385 VanDerWaalsContact CG1-OD1 3.23Å; I364-N385 WeakPolarHBondContact CG1-OD1 3.41Å; E381-N385 PolarHBondContact O-N 3.22Å; E381-N385 PolarHBondContact O-OD1 3.02Å; M382-N385 PolarHBondContact O-N 2.9Å; N385-Q388 PolarHBondContact O-N 3.16Å; N385-M389 VanDerWaalsContact O-CB 3.32Å; N385-M389 WeakPolarHBondContact O-CB 3.21Å; N385-M389 WeakPolarHBondContact O-CG 3.25Å; N385-M389 PolarHBondContact O-N 3.08Å |
| 386 | Q | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.8 | -69.7 | -72.4 | -25.6 | 0 | 0 | 112.1 | F320 Y326 M382 G383 H384 A390 | F320-Q386 HydrophobicContact CB-CG 4.36Å; F320-Q386 HydrophobicContact CD1-CB 4.45Å; F320-Q386 HydrophobicContact CD1-CG 3.69Å; F320-Q386 HydrophobicContact CD2-CG 4.24Å; F320-Q386 HydrophobicContact CE1-CB 4.47Å; F320-Q386 HydrophobicContact CE1-CG 3.96Å; F320-Q386 HydrophobicContact CG-CG 3.84Å; F320-Q386 HydrophobicContact CZ-CG 4.41Å; Y326-Q386 PolarHBondContact O-NE2 3.18Å; Y326-Q386 PolarHBondContact O-OE1 2.85Å; M382-Q386 VanDerWaalsContact O-CG 3.25Å; M382-Q386 WeakPolarHBondContact O-CG 3.12Å; M382-Q386 PolarHBondContact O-N 3.05Å; G383-Q386 PolarHBondContact O-N 3.5Å; H384-Q386 VanDerWaalsContact C-N 3.26Å; H384-Q386 PolarHBondContact O-N 2.99Å; Q386-A390 WeakPolarHBondContact O-CB 3.36Å; Q386-A390 PolarHBondContact O-N 3.13Å |
| 387 | Y | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 173.6 | -158.6 | 170.1 | 0 | 0 | 0 | 110.8 | G383 H384 M389 A390 Y391 A402 F406 V410 L564 | G383-Y387 PolarHBondContact O-N 2.56Å; G383-Y387 VanDerWaalsContact O-N 3.07Å; H384-Y387 PolarHBondContact O-N 3.47Å; H384-Y387 VanDerWaalsContact O-N 3.15Å; Y387-M389 VanDerWaalsContact C-N 3.29Å; Y387-M389 PolarHBondContact O-N 3.07Å; Y387-A390 WeakPolarHBondContact O-CB 3.38Å; Y387-A390 PolarHBondContact O-N 2.91Å; Y387-Y391 AromaticContact CD2-CD1 3.41Å; Y387-Y391 HydrophobicContact CD2-CD1 3.41Å; Y387-Y391 VanDerWaalsContact CD2-CD1 3.41Å; Y387-Y391 AromaticContact CD2-CE1 3.57Å; Y387-Y391 HydrophobicContact CD2-CE1 3.57Å; Y387-Y391 AromaticContact CE2-CD1 3.64Å; Y387-Y391 HydrophobicContact CE2-CD1 3.64Å; Y387-Y391 AromaticContact CE2-CE1 3.98Å; Y387-Y391 HydrophobicContact CE2-CE1 3.98Å; Y387-Y391 HydrophobicContact CG-CD1 4.25Å; Y387-Y391 AromaticContact CG-CE1 3.95Å; Y387-Y391 HydrophobicContact CG-CE1 3.95Å; Y387-Y391 WeakPolarHBondContact O-CD1 3.38Å; Y387-Y391 WeakPolarHBondContact O-CE1 3.42Å; Y387-Y391 PolarHBondContact O-N 3.41Å; Y387-A402 PolarHBondContact OH-N 2.5Å; Y387-F406 HydrophobicContact CE1-CB 4.27Å; Y387-V410 HydrophobicContact CD1-CB 4.08Å; Y387-V410 HydrophobicContact CD1-CG1 4.38Å; Y387-V410 HydrophobicContact CD1-CG2 3.79Å; Y387-V410 HydrophobicContact CE1-CG2 3.87Å; Y387-L564 HydrophobicContact CD1-CD2 3.85Å; Y387-L564 HydrophobicContact CD2-CB 3.71Å; Y387-L564 HydrophobicContact CD2-CD2 3.45Å; Y387-L564 VanDerWaalsContact CD2-CD2 3.45Å; Y387-L564 HydrophobicContact CD2-CG 4.11Å; Y387-L564 HydrophobicContact CE1-CD2 4.06Å; Y387-L564 VanDerWaalsContact CE2-CA 3.45Å; Y387-L564 HydrophobicContact CE2-CB 3.97Å; Y387-L564 HydrophobicContact CE2-CD2 3.71Å; Y387-L564 HydrophobicContact CE2-CG 4.45Å; Y387-L564 VanDerWaalsContact CE2-O 3.24Å; Y387-L564 WeakPolarHBondContact CE2-O 3.39Å; Y387-L564 HydrophobicContact CG-CD2 3.54Å; Y387-L564 HydrophobicContact CG-CG 4.5Å |
| 388 | Q | 97.6 | Very high | 96.8 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 7% | 0.065 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.5 | -43.1 | 176.3 | -70.9 | 165.4 | -0.2 | 0 | 0 | 112.6 | W354 D355 F362 H384 N385 A390 Y391 R392 | W354-Q388 VanDerWaalsContact C-OE1 3.3Å; D355-Q388 HydrophobicContact CB-CB 4.22Å; D355-Q388 HydrophobicContact CB-CG 4Å; F362-Q388 HydrophobicContact CD1-CB 3.82Å; F362-Q388 HydrophobicContact CE1-CB 3.71Å; H384-Q388 VanDerWaalsContact O-CG 3.3Å; H384-Q388 WeakPolarHBondContact O-CG 3.38Å; H384-Q388 PolarHBondContact O-N 3.29Å; N385-Q388 PolarHBondContact O-N 3.16Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.44Å; Q388-Y391 VanDerWaalsContact CA-CZ 3.45Å; Q388-Y391 HydrophobicContact CB-CE2 4.31Å; Q388-Y391 HydrophobicContact CG-CE2 4.38Å; Q388-Y391 WeakPolarHBondContact CG-OH 3.35Å; Q388-Y391 WeakPolarHBondContact O-CD2 3.4Å; Q388-R392 WeakPolarHBondContact O-CB 3.42Å; Q388-R392 PolarHBondContact O-N 3.44Å |
| 389 | M | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.1 | -31.7 | 176.4 | -72.6 | 169.9 | 68.2 | 0 | 0 | 113 | Y326 E327 M328 F329 F362 N385 Y387 R392 | Y326-M389 HydrophobicContact CD2-CB 4.17Å; Y326-M389 HydrophobicContact CG-CE 4.39Å; E327-M389 WeakPolarHBondContact O-CE 3.34Å; M328-M389 HydrophobicContact CE-SD 4.03Å; M328-M389 HydrophobicContact SD-SD 3.93Å; F329-M389 HydrophobicContact CD1-CE 3.98Å; F329-M389 HydrophobicContact CE1-CE 3.98Å; F329-M389 HydrophobicContact CG-CE 4.37Å; F329-M389 HydrophobicContact CZ-CE 4.37Å; F362-M389 HydrophobicContact CD1-CG 4.27Å; F362-M389 HydrophobicContact CD2-CG 3.66Å; F362-M389 HydrophobicContact CD2-SD 4.46Å; F362-M389 HydrophobicContact CE1-CG 4.29Å; F362-M389 HydrophobicContact CE2-CG 3.68Å; F362-M389 HydrophobicContact CG-CG 3.97Å; F362-M389 HydrophobicContact CZ-CG 4.01Å; N385-M389 VanDerWaalsContact O-CB 3.32Å; N385-M389 WeakPolarHBondContact O-CB 3.21Å; N385-M389 WeakPolarHBondContact O-CG 3.25Å; N385-M389 PolarHBondContact O-N 3.08Å; Y387-M389 VanDerWaalsContact C-N 3.29Å; Y387-M389 PolarHBondContact O-N 3.07Å; M389-R392 VanDerWaalsContact O-CD 3.24Å; M389-R392 WeakPolarHBondContact O-CD 3.3Å; M389-R392 VanDerWaalsContact O-CG 3.23Å; M389-R392 WeakPolarHBondContact O-CG 3.37Å |
| 390 | A | 98 | Very high | 96.6 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 6% | 0.058 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.7 | -48.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y326 Q386 Y387 Q388 L564 E565 | Y326-A390 HydrophobicContact CE2-CB 3.8Å; Q386-A390 WeakPolarHBondContact O-CB 3.36Å; Q386-A390 PolarHBondContact O-N 3.13Å; Y387-A390 WeakPolarHBondContact O-CB 3.38Å; Y387-A390 PolarHBondContact O-N 2.91Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.44Å; A390-L564 HydrophobicContact CB-CB 3.45Å; A390-L564 VanDerWaalsContact CB-CB 3.45Å; A390-E565 HydrophobicContact CB-CG 4.13Å |
| 391 | Y | 97.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 2% | 0.024 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -88.3 | 2.5 | -178.1 | 59.6 | -123.8 | 0 | 0 | 0 | 114.4 | Y387 Q388 N393 L394 R399 H407 | Y387-Y391 AromaticContact CD2-CD1 3.41Å; Y387-Y391 HydrophobicContact CD2-CD1 3.41Å; Y387-Y391 VanDerWaalsContact CD2-CD1 3.41Å; Y387-Y391 AromaticContact CD2-CE1 3.57Å; Y387-Y391 HydrophobicContact CD2-CE1 3.57Å; Y387-Y391 AromaticContact CE2-CD1 3.64Å; Y387-Y391 HydrophobicContact CE2-CD1 3.64Å; Y387-Y391 AromaticContact CE2-CE1 3.98Å; Y387-Y391 HydrophobicContact CE2-CE1 3.98Å; Y387-Y391 HydrophobicContact CG-CD1 4.25Å; Y387-Y391 AromaticContact CG-CE1 3.95Å; Y387-Y391 HydrophobicContact CG-CE1 3.95Å; Y387-Y391 WeakPolarHBondContact O-CD1 3.38Å; Y387-Y391 WeakPolarHBondContact O-CE1 3.42Å; Y387-Y391 PolarHBondContact O-N 3.41Å; Q388-Y391 VanDerWaalsContact CA-CZ 3.45Å; Q388-Y391 HydrophobicContact CB-CE2 4.31Å; Q388-Y391 HydrophobicContact CG-CE2 4.38Å; Q388-Y391 WeakPolarHBondContact CG-OH 3.35Å; Q388-Y391 WeakPolarHBondContact O-CD2 3.4Å; Y391-N393 PolarHBondContact O-N 2.89Å; Y391-L394 WeakPolarHBondContact O-CB 3.38Å; Y391-L394 WeakPolarHBondContact O-CG 3.46Å; Y391-L394 PolarHBondContact O-N 3.37Å; Y391-R399 HydrophobicContact CD2-CB 3.66Å; Y391-R399 HydrophobicContact CD2-CG 4.05Å; Y391-R399 HydrophobicContact CE2-CB 3.63Å; Y391-R399 HydrophobicContact CE2-CG 4.44Å; Y391-R399 WeakPolarHBondContact CE2-O 3.28Å; Y391-H407 PolarHBondContact OH-NE2 3.45Å |
| 392 | R | 96.7 | Very high | 96.6 | Very high | 56 Ų | 56 | 21.6 Ų | 21.6 | 21% | 0.211 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -22.6 | -173.3 | 75.8 | -173.1 | -175.6 | -140.6 | 5.1 | 115.2 | F329 R359 F362 Q388 M389 L394 R399 | F329-R392 VanDerWaalsContact CZ-CZ 3.41Å; R359-R392 HydrophobicContact CB-CB 4.32Å; R359-R392 WeakPolarHBondContact CD-O 3.49Å; R359-R392 VanDerWaalsContact CG-O 3.28Å; R359-R392 WeakPolarHBondContact CG-O 3.42Å; R359-R392 WeakPolarHBondContact O-CD 3.49Å; F362-R392 HydrophobicContact CZ-CB 3.93Å; Q388-R392 WeakPolarHBondContact O-CB 3.42Å; Q388-R392 PolarHBondContact O-N 3.44Å; M389-R392 VanDerWaalsContact O-CD 3.24Å; M389-R392 WeakPolarHBondContact O-CD 3.3Å; M389-R392 VanDerWaalsContact O-CG 3.23Å; M389-R392 WeakPolarHBondContact O-CG 3.37Å; R392-L394 VanDerWaalsContact C-N 3.35Å; R392-R399 PolarHBondContact O-NE 3.46Å |
| 393 | N | 95.8 | Very high | 96.4 | Very high | 116 Ų | 116 | 21.7 Ų | 21.7 | 62% | 0.62 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.3 | -178.5 | -68.6 | -33.8 | 0 | 0 | 0 | 113.4 | R359 Y391 | R359-N393 PolarHBondContact NH1-O 3.28Å; R359-N393 VanDerWaalsContact NH1-O 3.08Å; Y391-N393 PolarHBondContact O-N 2.89Å |
| 394 | L | 96.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 22.8 Ų | 22.8 | 19% | 0.194 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -69.5 | 163.5 | 174.6 | -58.5 | -178.4 | 0 | 0 | 0 | 111.7 | Y391 R392 L398 R399 L566 | Y391-L394 WeakPolarHBondContact O-CB 3.38Å; Y391-L394 WeakPolarHBondContact O-CG 3.46Å; Y391-L394 PolarHBondContact O-N 3.37Å; R392-L394 VanDerWaalsContact C-N 3.35Å; L394-L398 HydrophobicContact CB-CB 4.12Å; L394-L398 HydrophobicContact CD1-CB 4.22Å; L394-L398 WeakPolarHBondContact CD1-O 3.22Å; L394-R399 HydrophobicContact CB-CG 4.25Å; L394-R399 PolarHBondContact O-NE 2.95Å; L394-R399 PolarHBondContact O-NH2 3.12Å; L394-L566 WeakPolarHBondContact CD1-O 3.2Å |
| 395 | S | 95 | Very high | 96.1 | Very high | 37 Ų | 37 | 22 Ų | 22 | 26% | 0.259 | 11% | 0.112 | S | C | . | . | trans | -57.2 | 146.3 | 166.6 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | Q100 I397 L398 R399 | Q100-S395 PolarHBondContact OE1-OG 3.38Å; Q100-S395 VanDerWaalsContact OE1-OG 3.05Å; S395-I397 VanDerWaalsContact C-N 3.3Å; S395-I397 PolarHBondContact O-N 2.78Å; S395-I397 VanDerWaalsContact O-N 3.15Å; S395-L398 WeakPolarHBondContact O-CA 3.35Å; S395-L398 WeakPolarHBondContact O-CB 3.34Å; S395-L398 PolarHBondContact O-N 3.4Å; S395-R399 PolarHBondContact O-N 3.47Å | ||
| 396 | Y | 94.3 | Very high | 96 | Very high | 50 Ų | 50 | 22 Ų | 22 | 20% | 0.196 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -49 | -45.5 | -173.8 | 175.6 | -97.3 | 0 | 0 | 0 | 113.3 | F36 D37 A40 M44 W73 L398 R399 | F36-Y396 HydrophobicContact CE1-CD1 4.29Å; F36-Y396 HydrophobicContact CZ-CD1 4.47Å; D37-Y396 WeakPolarHBondContact OD1-CA 3.31Å; D37-Y396 WeakPolarHBondContact OD1-CB 3.44Å; D37-Y396 PolarHBondContact OD1-N 3.39Å; A40-Y396 HydrophobicContact CB-CD1 3.83Å; A40-Y396 HydrophobicContact CB-CE1 4.42Å; A40-Y396 HydrophobicContact CB-CG 4.06Å; M44-Y396 HydrophobicContact CB-CE2 3.83Å; M44-Y396 WeakPolarHBondContact CE-OH 3.33Å; M44-Y396 HydrophobicContact CG-CE2 3.65Å; M44-Y396 WeakPolarHBondContact CG-OH 3.48Å; W73-Y396 HydrophobicContact CH2-CD1 4.25Å; W73-Y396 AromaticContact CH2-CE1 3.45Å; W73-Y396 HydrophobicContact CH2-CE1 3.45Å; W73-Y396 VanDerWaalsContact CH2-CE1 3.45Å; W73-Y396 AromaticContact CH2-CZ 3.85Å; W73-Y396 AromaticContact CZ2-CE1 3.92Å; W73-Y396 HydrophobicContact CZ2-CE1 3.92Å; W73-Y396 HydrophobicContact CZ3-CE1 4.48Å; Y396-L398 PolarHBondContact O-N 2.9Å; Y396-R399 PolarHBondContact O-N 2.84Å |
| 397 | I | 93.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -63.8 | -22.7 | 178.6 | -80.8 | 166.8 | 0 | 0 | 0 | 113.4 | F36 Q100 L104 S395 | F36-I397 HydrophobicContact CD1-CD1 4.04Å; F36-I397 HydrophobicContact CE1-CD1 3.29Å; F36-I397 HydrophobicContact CE1-CG1 3.64Å; F36-I397 HydrophobicContact CZ-CD1 3.71Å; F36-I397 HydrophobicContact CZ-CG1 4.08Å; Q100-I397 HydrophobicContact CB-CG2 4.37Å; Q100-I397 HydrophobicContact CG-CB 4.44Å; Q100-I397 HydrophobicContact CG-CG2 4.14Å; L104-I397 HydrophobicContact CB-CD1 3.9Å; L104-I397 HydrophobicContact CD1-CD1 4.24Å; L104-I397 HydrophobicContact CD2-CD1 4.45Å; L104-I397 HydrophobicContact CG-CD1 4.42Å; S395-I397 VanDerWaalsContact C-N 3.3Å; S395-I397 PolarHBondContact O-N 2.78Å; S395-I397 VanDerWaalsContact O-N 3.15Å |
| 398 | L | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -98.6 | -1.4 | -178 | -55.9 | 178.4 | 0 | 0 | 0 | 113 | V96 L99 Q100 L394 S395 Y396 D400 R568 | V96-L398 HydrophobicContact CG1-CD1 3.55Å; L99-L398 HydrophobicContact CD2-CD2 3.88Å; L99-L398 HydrophobicContact CG-CD2 4.16Å; Q100-L398 HydrophobicContact CG-CD1 3.88Å; Q100-L398 HydrophobicContact CG-CD2 3.84Å; Q100-L398 HydrophobicContact CG-CG 3.75Å; L394-L398 HydrophobicContact CB-CB 4.12Å; L394-L398 HydrophobicContact CD1-CB 4.22Å; L394-L398 WeakPolarHBondContact CD1-O 3.22Å; S395-L398 WeakPolarHBondContact O-CA 3.35Å; S395-L398 WeakPolarHBondContact O-CB 3.34Å; S395-L398 PolarHBondContact O-N 3.4Å; Y396-L398 PolarHBondContact O-N 2.9Å; L398-D400 VanDerWaalsContact C-N 3.25Å; L398-D400 PolarHBondContact O-N 3.35Å; L398-R568 PolarHBondContact O-N 3.12Å |
| 399 | R | 96.3 | Very high | 95 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | trans | -82.3 | 67.7 | 177.4 | -65 | -171.4 | -154.5 | 143.1 | 20 | 111.3 | D37 S41 G357 R359 Y391 R392 L394 S395 Y396 | D37-R399 IonicContact OD1-NH2 2.66Å; D37-R399 PolarHBondContact OD1-NH2 3.3Å; D37-R399 IonicContact OD2-NH2 2.87Å; S41-R399 PolarHBondContact OG-NH2 3.45Å; G357-R399 PolarHBondContact O-NH1 3.37Å; R359-R399 VanDerWaalsContact NH2-NH2 3.12Å; Y391-R399 HydrophobicContact CD2-CB 3.66Å; Y391-R399 HydrophobicContact CD2-CG 4.05Å; Y391-R399 HydrophobicContact CE2-CB 3.63Å; Y391-R399 HydrophobicContact CE2-CG 4.44Å; Y391-R399 WeakPolarHBondContact CE2-O 3.28Å; R392-R399 PolarHBondContact O-NE 3.46Å; L394-R399 HydrophobicContact CB-CG 4.25Å; L394-R399 PolarHBondContact O-NE 2.95Å; L394-R399 PolarHBondContact O-NH2 3.12Å; S395-R399 PolarHBondContact O-N 3.47Å; Y396-R399 PolarHBondContact O-N 2.84Å | ||
| 400 | D | 94.9 | Very high | 94.8 | Very high | 65 Ų | 65 | 24.2 Ų | 24.2 | 35% | 0.348 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -149.9 | 170.4 | 175.9 | -160.8 | -4.7 | 0 | 0 | 0 | 108.8 | L398 H407 G567 R568 | L398-D400 VanDerWaalsContact C-N 3.25Å; L398-D400 PolarHBondContact O-N 3.35Å; D400-H407 IonicContact OD1-CD2 3.7Å; D400-G567 CarbonylContact O-C 3.56Å; D400-G567 WeakPolarHBondContact O-CA 3.28Å; D400-R568 PolarHBondContact O-N 3.47Å; D400-R568 VanDerWaalsContact O-N 3.15Å |
| 401 | G | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -62.3 | 157.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N403 | G401-N403 PolarHBondContact O-N 2.88Å; G401-N403 VanDerWaalsContact O-N 3.15Å | ||
| 402 | A | 96.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 5% | 0.05 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -58.1 | -33.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y387 F406 G567 W572 A575 | Y387-A402 PolarHBondContact OH-N 2.5Å; A402-F406 HydrophobicContact CB-CD1 3.88Å; A402-F406 HydrophobicContact CB-CD2 4.49Å; A402-F406 HydrophobicContact CB-CE1 4.1Å; A402-F406 HydrophobicContact CB-CG 4.08Å; A402-F406 HydrophobicContact CB-CZ 4.49Å; A402-G567 WeakPolarHBondContact CA-O 3.49Å; A402-G567 PolarHBondContact N-O 3.39Å; A402-W572 HydrophobicContact CB-CB 3.88Å; A402-A575 HydrophobicContact CB-CB 3.76Å |
| 403 | N | 95.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -149 | 176.5 | 160.9 | 70.1 | 38.5 | 0 | 0 | 0 | 109.3 | N210 Y211 G401 G405 F406 Y527 W572 | N210-N403 WeakPolarHBondContact OD1-CA 3.19Å; N210-N403 WeakPolarHBondContact OD1-CB 3.47Å; Y211-N403 HydrophobicContact CD1-CB 4.3Å; Y211-N403 HydrophobicContact CE1-CB 4.35Å; G401-N403 PolarHBondContact O-N 2.88Å; G401-N403 VanDerWaalsContact O-N 3.15Å; N403-G405 PolarHBondContact O-N 3.45Å; N403-G405 VanDerWaalsContact O-N 3.13Å; N403-G405 WeakPolarHBondContact OD1-CA 3.28Å; N403-G405 PolarHBondContact OD1-N 3.02Å; N403-F406 PolarHBondContact O-N 3.03Å; N403-F406 VanDerWaalsContact O-N 3.13Å; N403-F406 WeakPolarHBondContact OD1-CD2 3.4Å; N403-F406 PolarHBondContact OD1-N 3.07Å; N403-Y527 PolarHBondContact ND2-OH 2.59Å; N403-W572 HydrophobicContact CB-CB 4.1Å; N403-W572 HydrophobicContact CB-CG 4.31Å; N403-W572 WeakPolarHBondContact ND2-CB 3.37Å |
| 404 | E | 91.7 | Very high | 93.2 | Very high | 23 Ų | 23 | 17 Ų | 17 | 11% | 0.107 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.6 | -21.2 | -175.9 | 64.7 | 169.3 | -163.8 | 0 | 0 | 114.5 | N210 Y211 S517 I519 R520 | N210-E404 WeakPolarHBondContact OD1-CG 3.3Å; N210-E404 PolarHBondContact OD1-N 2.89Å; Y211-E404 HydrophobicContact CE2-CG 3.82Å; Y211-E404 WeakPolarHBondContact CE2-OE1 3.24Å; Y211-E404 WeakPolarHBondContact OH-CG 3.43Å; Y211-E404 PolarHBondContact OH-OE1 3.47Å; Y211-E404 VanDerWaalsContact OH-OE1 3.14Å; E404-S517 PolarHBondContact OE1-OG 2.88Å; E404-S517 VanDerWaalsContact OE2-CB 3.27Å; E404-S517 WeakPolarHBondContact OE2-CB 2.74Å; E404-S517 PolarHBondContact OE2-OG 3.41Å; E404-I519 WeakPolarHBondContact OE1-CG2 3.48Å; E404-R520 HydrophobicContact CB-CB 4.12Å; E404-R520 HydrophobicContact CG-CB 3.71Å; E404-R520 PolarHBondContact OE1-N 2.9Å; E404-R520 IonicContact OE2-CZ 3.31Å; E404-R520 IonicContact OE2-NE 2.74Å; E404-R520 PolarHBondContact OE2-NE 3.25Å; E404-R520 VanDerWaalsContact OE2-NE 3.09Å; E404-R520 IonicContact OE2-NH2 3.81Å; E404-R520 PolarHBondContact OE2-NH2 2.74Å |
| 405 | G | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -82.9 | -25.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N403 A409 R524 | N403-G405 PolarHBondContact O-N 3.45Å; N403-G405 VanDerWaalsContact O-N 3.13Å; N403-G405 WeakPolarHBondContact OD1-CA 3.28Å; N403-G405 PolarHBondContact OD1-N 3.02Å; G405-A409 VanDerWaalsContact O-CB 3.29Å; G405-A409 WeakPolarHBondContact O-CB 3.28Å; G405-A409 PolarHBondContact O-N 2.64Å; G405-A409 VanDerWaalsContact O-N 3.11Å; G405-R524 WeakPolarHBondContact O-CA 3.25Å; G405-R524 WeakPolarHBondContact O-CB 3.4Å |
| 406 | F | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68 | -46 | -177.9 | -91 | -122.5 | 0 | 0 | 0 | 112 | Y387 A402 N403 E408 A409 V410 Y527 F531 M563 W572 A575 L576 | Y387-F406 HydrophobicContact CE1-CB 4.27Å; A402-F406 HydrophobicContact CB-CD1 3.88Å; A402-F406 HydrophobicContact CB-CD2 4.49Å; A402-F406 HydrophobicContact CB-CE1 4.1Å; A402-F406 HydrophobicContact CB-CG 4.08Å; A402-F406 HydrophobicContact CB-CZ 4.49Å; N403-F406 PolarHBondContact O-N 3.03Å; N403-F406 VanDerWaalsContact O-N 3.13Å; N403-F406 WeakPolarHBondContact OD1-CD2 3.4Å; N403-F406 PolarHBondContact OD1-N 3.07Å; F406-E408 VanDerWaalsContact C-N 3.26Å; F406-E408 PolarHBondContact O-N 3.31Å; F406-A409 PolarHBondContact O-N 2.66Å; F406-A409 VanDerWaalsContact O-N 3.07Å; F406-V410 WeakPolarHBondContact O-CG2 3.42Å; F406-V410 PolarHBondContact O-N 2.67Å; F406-V410 VanDerWaalsContact O-N 3.09Å; F406-Y527 AromaticContact CD2-CD2 3.86Å; F406-Y527 HydrophobicContact CD2-CD2 3.86Å; F406-Y527 AromaticContact CD2-CE2 3.74Å; F406-Y527 HydrophobicContact CD2-CE2 3.74Å; F406-Y527 HydrophobicContact CD2-CG 4.43Å; F406-Y527 HydrophobicContact CE2-CD1 4.3Å; F406-Y527 HydrophobicContact CE2-CD2 4.09Å; F406-Y527 HydrophobicContact CE2-CE1 4.03Å; F406-Y527 AromaticContact CE2-CE2 3.84Å; F406-Y527 HydrophobicContact CE2-CE2 3.84Å; F406-Y527 HydrophobicContact CE2-CG 4.33Å; F406-Y527 AromaticContact CE2-CZ 3.81Å; F406-F531 HydrophobicContact CD1-CE2 4.49Å; F406-F531 AromaticContact CD1-CZ 3.82Å; F406-F531 HydrophobicContact CD1-CZ 3.82Å; F406-F531 HydrophobicContact CE1-CE1 4.3Å; F406-F531 AromaticContact CE1-CZ 3.71Å; F406-F531 HydrophobicContact CE1-CZ 3.71Å; F406-F531 HydrophobicContact CE2-CZ 4.42Å; F406-F531 HydrophobicContact CG-CZ 4.24Å; F406-F531 HydrophobicContact CZ-CE1 4.45Å; F406-F531 HydrophobicContact CZ-CZ 4.04Å; F406-M563 HydrophobicContact CD1-CE 4.3Å; F406-M563 HydrophobicContact CD1-SD 3.68Å; F406-M563 HydrophobicContact CE1-CG 4.23Å; F406-M563 HydrophobicContact CE1-SD 3.9Å; F406-W572 HydrophobicContact CE2-CB 4.14Å; F406-W572 HydrophobicContact CE2-CE3 4.09Å; F406-W572 HydrophobicContact CZ-CB 4.42Å; F406-W572 WeakPolarHBondContact CZ-O 3.48Å; F406-A575 HydrophobicContact CE1-CB 3.76Å; F406-A575 HydrophobicContact CZ-CB 4.21Å; F406-L576 HydrophobicContact CZ-CB 3.96Å; F406-L576 HydrophobicContact CZ-CD1 4.46Å |
| 407 | H | 89.8 | Confident | 92.3 | Very high | 26 Ų | 26 | 11.9 Ų | 11.9 | 12% | 0.12 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | -174.9 | -154 | -41.9 | 0 | 0 | 0 | 111.3 | H384 Y391 D400 | H384-H407 AromaticContact CE1-ND1 3.8Å; H384-H407 PolarHBondContact CE1-O 3.02Å; H384-H407 AromaticContact CG-CE1 3.78Å; H384-H407 AromaticContact CG-ND1 3.73Å; H384-H407 AromaticContact ND1-CE1 3.63Å; H384-H407 AromaticContact ND1-ND1 3.13Å; H384-H407 PolarHBondContact ND1-ND1 3.21Å; H384-H407 VanDerWaalsContact ND1-ND1 3.13Å; H384-H407 PolarHBondContact ND1-O 3.41Å; Y391-H407 PolarHBondContact OH-NE2 3.45Å; D400-H407 IonicContact OD1-CD2 3.7Å |
| 408 | E | 89.6 | Confident | 92.1 | Very high | 36 Ų | 36 | 10.9 Ų | 10.9 | 17% | 0.168 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68.9 | -35.7 | 176.6 | -68.6 | -74.1 | 172.7 | 0 | 0 | 112.6 | H380 F406 G411 E412 R524 | H380-E408 IonicContact CE1-OE2 3.88Å; H380-E408 IonicContact NE2-OE2 3.71Å; F406-E408 VanDerWaalsContact C-N 3.26Å; F406-E408 PolarHBondContact O-N 3.31Å; E408-G411 PolarHBondContact O-N 3.27Å; E408-E412 PolarHBondContact O-N 3.3Å; E408-R524 HydrophobicContact CB-CB 3.92Å; E408-R524 HydrophobicContact CB-CG 3.46Å; E408-R524 VanDerWaalsContact CB-CG 3.46Å; E408-R524 IonicContact OE2-CZ 4Å; E408-R524 IonicContact OE2-NH1 3.78Å; E408-R524 PolarHBondContact OE2-NH1 3.12Å |
| 409 | A | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -71.3 | -34.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G405 F406 G411 E412 I413 R524 Q528 F531 | G405-A409 VanDerWaalsContact O-CB 3.29Å; G405-A409 WeakPolarHBondContact O-CB 3.28Å; G405-A409 PolarHBondContact O-N 2.64Å; G405-A409 VanDerWaalsContact O-N 3.11Å; F406-A409 PolarHBondContact O-N 2.66Å; F406-A409 VanDerWaalsContact O-N 3.07Å; A409-G411 VanDerWaalsContact C-N 3.32Å; A409-G411 PolarHBondContact O-N 2.96Å; A409-E412 PolarHBondContact O-N 3.18Å; A409-I413 PolarHBondContact O-N 2.89Å; A409-I413 VanDerWaalsContact O-N 3.14Å; A409-R524 HydrophobicContact CB-CG 4.08Å; A409-Q528 HydrophobicContact CB-CB 4.32Å; A409-F531 HydrophobicContact CB-CD2 4.05Å; A409-F531 HydrophobicContact CB-CE2 3.73Å |
| 410 | V | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63 | -38 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | Y387 F406 I413 M414 F531 M563 L564 | Y387-V410 HydrophobicContact CD1-CB 4.08Å; Y387-V410 HydrophobicContact CD1-CG1 4.38Å; Y387-V410 HydrophobicContact CD1-CG2 3.79Å; Y387-V410 HydrophobicContact CE1-CG2 3.87Å; F406-V410 WeakPolarHBondContact O-CG2 3.42Å; F406-V410 PolarHBondContact O-N 2.67Å; F406-V410 VanDerWaalsContact O-N 3.09Å; V410-I413 WeakPolarHBondContact O-CG1 3.4Å; V410-M414 HydrophobicContact CG1-CE 4.22Å; V410-M414 VanDerWaalsContact O-CG 3.32Å; V410-M414 WeakPolarHBondContact O-CG 3.4Å; V410-F531 HydrophobicContact CG2-CE2 4.45Å; V410-M563 HydrophobicContact CG2-CE 3.96Å; V410-L564 HydrophobicContact CB-CD2 4.33Å; V410-L564 HydrophobicContact CG1-CD2 3.85Å; V410-L564 HydrophobicContact CG2-CD2 3.53Å |
| 411 | G | 85.9 | Confident | 91.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H380 E408 A409 M414 S415 | H380-G411 WeakPolarHBondContact CA-O 3.47Å; H380-G411 VanDerWaalsContact ND1-C 3.33Å; H380-G411 WeakPolarHBondContact O-CA 3.5Å; E408-G411 PolarHBondContact O-N 3.27Å; A409-G411 VanDerWaalsContact C-N 3.32Å; A409-G411 PolarHBondContact O-N 2.96Å; G411-M414 PolarHBondContact O-N 2.88Å; G411-S415 PolarHBondContact O-N 2.88Å |
| 412 | E | 89.7 | Confident | 91 | Very high | 34 Ų | 34 | 13.3 Ų | 13.3 | 16% | 0.159 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -72.9 | -33.5 | -176.1 | -73 | -55.5 | 137.2 | 0 | 0 | 116.2 | H380 E408 A409 M414 S415 L416 R524 Q528 | H380-E412 IonicContact CE1-OE1 3.42Å; H380-E412 PolarHBondContact CE1-OE1 3.09Å; H380-E412 IonicContact CG-OE1 2.74Å; H380-E412 IonicContact ND1-OE1 3.65Å; H380-E412 PolarHBondContact ND1-OE1 3.3Å; E408-E412 PolarHBondContact O-N 3.3Å; A409-E412 PolarHBondContact O-N 3.18Å; E412-M414 PolarHBondContact O-N 3.07Å; E412-M414 VanDerWaalsContact O-N 3.16Å; E412-S415 WeakPolarHBondContact CA-OG 3.34Å; E412-S415 PolarHBondContact O-N 3.31Å; E412-S415 PolarHBondContact O-OG 2.73Å; E412-S415 PolarHBondContact OE2-OG 2.8Å; E412-L416 WeakPolarHBondContact O-CB 3.11Å; E412-L416 WeakPolarHBondContact O-CG 3.43Å; E412-L416 PolarHBondContact O-N 2.61Å; E412-R524 IonicContact OE1-CZ 3.27Å; E412-R524 VanDerWaalsContact OE1-CZ 3.29Å; E412-R524 IonicContact OE1-NH1 2.68Å; E412-R524 IonicContact OE1-NH2 3.3Å; E412-R524 PolarHBondContact OE1-NH2 2.89Å; E412-R524 IonicContact OE2-NH2 2.67Å; E412-Q528 HydrophobicContact CB-CB 4.17Å |
| 413 | I | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.2 | -26 | 177.6 | 56.3 | 167.3 | 0 | 0 | 0 | 111.8 | A409 V410 S417 Q528 F531 Q532 L535 L560 | A409-I413 PolarHBondContact O-N 2.89Å; A409-I413 VanDerWaalsContact O-N 3.14Å; V410-I413 WeakPolarHBondContact O-CG1 3.4Å; I413-S417 PolarHBondContact O-N 2.93Å; I413-S417 PolarHBondContact O-OG 3.14Å; I413-Q528 HydrophobicContact CG2-CB 4.06Å; I413-Q528 WeakPolarHBondContact CG2-O 3.32Å; I413-F531 HydrophobicContact CD1-CB 4.49Å; I413-F531 HydrophobicContact CG2-CB 3.88Å; I413-F531 HydrophobicContact CG2-CD2 4.49Å; I413-Q532 HydrophobicContact CG2-CB 4.49Å; I413-L535 HydrophobicContact CD1-CD1 3.62Å; I413-L560 HydrophobicContact CD1-CD1 3.95Å; I413-L560 HydrophobicContact CD1-CD2 4.24Å |
| 414 | M | 88.2 | Confident | 90.8 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -76.8 | -45.6 | 177.6 | -47.8 | -54.9 | 168.3 | 0 | 0 | 110.7 | F319 F320 H379 V410 G411 E412 L416 S417 A418 L560 | F319-M414 HydrophobicContact CE1-CB 4.08Å; F319-M414 HydrophobicContact CE1-CG 4.37Å; F319-M414 HydrophobicContact CE1-SD 3.65Å; F319-M414 HydrophobicContact CZ-SD 4.23Å; F320-M414 HydrophobicContact CD1-SD 4.33Å; F320-M414 HydrophobicContact CE1-CB 4.23Å; F320-M414 HydrophobicContact CE1-CE 3.94Å; F320-M414 HydrophobicContact CE1-CG 3.46Å; F320-M414 VanDerWaalsContact CE1-CG 3.46Å; F320-M414 HydrophobicContact CE1-SD 3.58Å; F320-M414 VanDerWaalsContact CE1-SD 3.58Å; F320-M414 HydrophobicContact CZ-CB 3.9Å; F320-M414 HydrophobicContact CZ-CG 3.56Å; F320-M414 HydrophobicContact CZ-SD 4.23Å; H379-M414 HydrophobicContact CB-CB 4.25Å; V410-M414 HydrophobicContact CG1-CE 4.22Å; V410-M414 VanDerWaalsContact O-CG 3.32Å; V410-M414 WeakPolarHBondContact O-CG 3.4Å; G411-M414 PolarHBondContact O-N 2.88Å; E412-M414 PolarHBondContact O-N 3.07Å; E412-M414 VanDerWaalsContact O-N 3.16Å; M414-L416 VanDerWaalsContact C-N 3.3Å; M414-L416 PolarHBondContact O-N 3.01Å; M414-S417 PolarHBondContact O-N 3.32Å; M414-A418 VanDerWaalsContact O-CB 3.31Å; M414-A418 WeakPolarHBondContact O-CB 3.39Å; M414-A418 PolarHBondContact O-N 2.92Å; M414-L560 HydrophobicContact CE-CD2 3.28Å |
| 415 | S | 87.7 | Confident | 90.7 | Very high | 11 Ų | 11 | 15.1 Ų | 15.1 | 8% | 0.077 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 174.9 | 68 | 0 | 0 | 0 | 0 | 111.1 | G411 E412 S417 A418 A419 | G411-S415 PolarHBondContact O-N 2.88Å; E412-S415 WeakPolarHBondContact CA-OG 3.34Å; E412-S415 PolarHBondContact O-N 3.31Å; E412-S415 PolarHBondContact O-OG 2.73Å; E412-S415 PolarHBondContact OE2-OG 2.8Å; S415-S417 PolarHBondContact O-N 3Å; S415-A418 PolarHBondContact O-N 2.83Å; S415-A419 VanDerWaalsContact O-CB 3.24Å; S415-A419 WeakPolarHBondContact O-CB 3.35Å; S415-A419 PolarHBondContact O-N 3.49Å |
| 416 | L | 89.1 | Confident | 90.6 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.8 | -76.7 | 175.8 | 0 | 0 | 0 | 112.5 | E412 M414 T420 I452 Q528 F529 | E412-L416 WeakPolarHBondContact O-CB 3.11Å; E412-L416 WeakPolarHBondContact O-CG 3.43Å; E412-L416 PolarHBondContact O-N 2.61Å; M414-L416 VanDerWaalsContact C-N 3.3Å; M414-L416 PolarHBondContact O-N 3.01Å; L416-T420 WeakPolarHBondContact O-CG2 3.49Å; L416-I452 HydrophobicContact CD2-CD1 4.03Å; L416-Q528 HydrophobicContact CD1-CG 4.29Å; L416-F529 HydrophobicContact CD1-CE1 4.11Å |
| 417 | S | 89.5 | Confident | 90.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.8 | -41.9 | 179.4 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | I413 M414 S415 A419 T420 H423 Q532 | I413-S417 PolarHBondContact O-N 2.93Å; I413-S417 PolarHBondContact O-OG 3.14Å; M414-S417 PolarHBondContact O-N 3.32Å; S415-S417 PolarHBondContact O-N 3Å; S417-A419 VanDerWaalsContact C-N 3.3Å; S417-A419 PolarHBondContact O-N 3.34Å; S417-T420 WeakPolarHBondContact O-CG2 3.28Å; S417-T420 PolarHBondContact O-N 3.09Å; S417-T420 PolarHBondContact O-OG1 3.07Å; S417-H423 WeakPolarHBondContact O-CB 3.48Å; S417-Q532 PolarHBondContact OG-NE2 2.88Å |
| 418 | A | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67 | -27.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | F375 L376 H379 M414 S415 T420 H423 | F375-A418 HydrophobicContact CE1-CB 4.23Å; L376-A418 HydrophobicContact CD2-CB 4.05Å; H379-A418 HydrophobicContact CB-CB 4.47Å; M414-A418 VanDerWaalsContact O-CB 3.31Å; M414-A418 WeakPolarHBondContact O-CB 3.39Å; M414-A418 PolarHBondContact O-N 2.92Å; S415-A418 PolarHBondContact O-N 2.83Å; A418-T420 VanDerWaalsContact C-N 3.3Å; A418-T420 PolarHBondContact O-N 3.41Å; A418-H423 PolarHBondContact O-CD2 3.06Å |
| 419 | A | 90.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M372 L376 S415 S417 F444 | M372-A419 HydrophobicContact CE-CB 4.38Å; L376-A419 HydrophobicContact CD1-CB 3.96Å; L376-A419 HydrophobicContact CD2-CB 3.76Å; S415-A419 VanDerWaalsContact O-CB 3.24Å; S415-A419 WeakPolarHBondContact O-CB 3.35Å; S415-A419 PolarHBondContact O-N 3.49Å; S417-A419 VanDerWaalsContact C-N 3.3Å; S417-A419 PolarHBondContact O-N 3.34Å; A419-F444 HydrophobicContact CB-CE2 4.45Å |
| 420 | T | 90.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -68.2 | 141.2 | -176.5 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | L416 S417 A418 K422 H423 L424 C548 | L416-T420 WeakPolarHBondContact O-CG2 3.49Å; S417-T420 WeakPolarHBondContact O-CG2 3.28Å; S417-T420 PolarHBondContact O-N 3.09Å; S417-T420 PolarHBondContact O-OG1 3.07Å; A418-T420 VanDerWaalsContact C-N 3.3Å; A418-T420 PolarHBondContact O-N 3.41Å; T420-K422 PolarHBondContact O-N 3.36Å; T420-H423 WeakPolarHBondContact O-CB 3.5Å; T420-H423 PolarHBondContact O-N 3.23Å; T420-H423 VanDerWaalsContact OG1-CB 3.25Å; T420-H423 WeakPolarHBondContact OG1-CB 3.32Å; T420-H423 PolarHBondContact OG1-N 3.31Å; T420-L424 WeakPolarHBondContact O-CG 3.3Å; T420-L424 PolarHBondContact O-N 2.76Å; T420-C548 WeakPolarHBondContact CG2-O 3.48Å |
| 421 | P | 89.1 | Confident | 90.4 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.4 | -34.1 | 176.3 | -29.5 | 37.9 | 0 | 0 | 0 | 113.4 | I296 L424 Q425 L430 F434 Y436 | I296-P421 HydrophobicContact CD1-CG 3.97Å; I296-P421 HydrophobicContact CG1-CG 4.41Å; I296-P421 HydrophobicContact CG2-CG 4.39Å; P421-L424 PolarHBondContact O-N 2.94Å; P421-Q425 WeakPolarHBondContact O-CB 3.35Å; P421-Q425 VanDerWaalsContact O-CG 3.28Å; P421-Q425 WeakPolarHBondContact O-CG 3.41Å; P421-Q425 PolarHBondContact O-N 3.11Å; P421-L430 HydrophobicContact CB-CD1 3.88Å; P421-F434 HydrophobicContact CB-CE1 3.84Å; P421-Y436 HydrophobicContact CB-CD2 4.1Å; P421-Y436 HydrophobicContact CB-CE2 4.5Å; P421-Y436 HydrophobicContact CB-CG 4.45Å; P421-Y436 HydrophobicContact CG-CD2 3.65Å; P421-Y436 HydrophobicContact CG-CE2 3.58Å; P421-Y436 HydrophobicContact CG-CG 4.33Å |
| 422 | K | 88.8 | Confident | 90.4 | Very high | 127 Ų | 127 | 29.2 Ų | 29.2 | 55% | 0.552 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -59.9 | -46.2 | 174.8 | -177.5 | -175.3 | 173.1 | -165 | 0 | 111.4 | T420 S426 D549 | T420-K422 PolarHBondContact O-N 3.36Å; K422-S426 PolarHBondContact O-N 3.48Å; K422-S426 VanDerWaalsContact O-N 3.12Å; K422-D549 HydrophobicContact CD-CB 4.34Å |
| 423 | H | 92.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -48.6 | 177 | -172.5 | 82.6 | 0 | 0 | 0 | 111.1 | F319 S417 A418 T420 Q425 S426 L427 D549 T551 | F319-H423 AromaticContact CD2-CE1 3.83Å; S417-H423 WeakPolarHBondContact O-CB 3.48Å; A418-H423 PolarHBondContact O-CD2 3.06Å; T420-H423 WeakPolarHBondContact O-CB 3.5Å; T420-H423 PolarHBondContact O-N 3.23Å; T420-H423 VanDerWaalsContact OG1-CB 3.25Å; T420-H423 WeakPolarHBondContact OG1-CB 3.32Å; T420-H423 PolarHBondContact OG1-N 3.31Å; H423-Q425 VanDerWaalsContact C-N 3.31Å; H423-Q425 PolarHBondContact O-N 3.41Å; H423-S426 WeakPolarHBondContact O-CA 3.37Å; H423-S426 WeakPolarHBondContact O-CB 3.42Å; H423-S426 PolarHBondContact O-N 3.07Å; H423-S426 PolarHBondContact O-OG 3.24Å; H423-L427 PolarHBondContact O-N 2.95Å; H423-L427 VanDerWaalsContact O-N 3.12Å; H423-D549 IonicContact ND1-OD1 3.73Å; H423-D549 IonicContact ND1-OD2 3.71Å; H423-T551 PolarHBondContact ND1-OG1 3.01Å; H423-T551 VanDerWaalsContact ND1-OG1 3.12Å |
| 424 | L | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 179.5 | -63.5 | 175.3 | 0 | 0 | 0 | 113 | I296 V298 M372 F375 T420 P421 L427 G428 L429 L430 | I296-L424 HydrophobicContact CG2-CD1 3.81Å; V298-L424 HydrophobicContact CG1-CD1 4.04Å; V298-L424 HydrophobicContact CG2-CD1 4.38Å; V298-L424 HydrophobicContact CG2-CD2 4.06Å; M372-L424 HydrophobicContact CE-CD1 3.93Å; F375-L424 HydrophobicContact CE1-CD2 4.14Å; T420-L424 WeakPolarHBondContact O-CG 3.3Å; T420-L424 PolarHBondContact O-N 2.76Å; P421-L424 PolarHBondContact O-N 2.94Å; L424-L427 PolarHBondContact O-N 2.86Å; L424-G428 PolarHBondContact O-N 2.92Å; L424-L429 HydrophobicContact CD2-CD1 4.07Å; L424-L429 WeakPolarHBondContact O-CB 3.2Å; L424-L429 PolarHBondContact O-N 2.93Å; L424-L430 HydrophobicContact CB-CD1 3.78Å; L424-L430 HydrophobicContact CB-CG 3.92Å; L424-L430 HydrophobicContact CD1-CD1 4.29Å; L424-L430 PolarHBondContact O-N 2.87Å |
| 425 | Q | 90.8 | Very high | 89.9 | Confident | 62 Ų | 62 | 39.8 Ų | 39.8 | 29% | 0.29 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 170.6 | -78.6 | -178.5 | -40.3 | 0 | 0 | 112.1 | P421 H423 L427 G428 L430 P431 F434 | P421-Q425 WeakPolarHBondContact O-CB 3.35Å; P421-Q425 VanDerWaalsContact O-CG 3.28Å; P421-Q425 WeakPolarHBondContact O-CG 3.41Å; P421-Q425 PolarHBondContact O-N 3.11Å; H423-Q425 VanDerWaalsContact C-N 3.31Å; H423-Q425 PolarHBondContact O-N 3.41Å; Q425-L427 PolarHBondContact O-N 2.82Å; Q425-G428 PolarHBondContact O-N 3.15Å; Q425-L430 HydrophobicContact CB-CB 4.48Å; Q425-L430 HydrophobicContact CG-CB 3.58Å; Q425-L430 HydrophobicContact CG-CD1 4.22Å; Q425-P431 PolarHBondContact NE2-O 3.04Å; Q425-F434 PolarHBondContact NE2-O 2.82Å |
| 426 | S | 91.9 | Very high | 89.9 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 58% | 0.58 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.8 | -27.3 | 177.9 | 84.9 | 0 | 0 | 0 | 0 | 112.9 | K422 H423 G428 | K422-S426 PolarHBondContact O-N 3.48Å; K422-S426 VanDerWaalsContact O-N 3.12Å; H423-S426 WeakPolarHBondContact O-CA 3.37Å; H423-S426 WeakPolarHBondContact O-CB 3.42Å; H423-S426 PolarHBondContact O-N 3.07Å; H423-S426 PolarHBondContact O-OG 3.24Å; S426-G428 VanDerWaalsContact C-N 3.32Å |
| 427 | L | 94.2 | Very high | 90 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -5.5 | 173.5 | -62 | -179.9 | 0 | 0 | 0 | 113.5 | W307 E315 F375 H423 L424 Q425 L429 | W307-L427 HydrophobicContact CH2-CB 4.31Å; W307-L427 HydrophobicContact CH2-CD1 4.28Å; E315-L427 HydrophobicContact CG-CD2 4.48Å; E315-L427 VanDerWaalsContact OE2-CD2 3.25Å; E315-L427 WeakPolarHBondContact OE2-CD2 3.46Å; F375-L427 HydrophobicContact CE2-CD1 4.25Å; F375-L427 HydrophobicContact CZ-CD1 3.68Å; H423-L427 PolarHBondContact O-N 2.95Å; H423-L427 VanDerWaalsContact O-N 3.12Å; L424-L427 PolarHBondContact O-N 2.86Å; Q425-L427 PolarHBondContact O-N 2.82Å; L427-L429 VanDerWaalsContact C-N 3.25Å; L427-L429 HydrophobicContact CB-CD1 4.16Å; L427-L429 HydrophobicContact CB-CG 4.14Å; L427-L429 HydrophobicContact CD1-CD1 4.17Å; L427-L429 PolarHBondContact O-N 3.39Å |
| 428 | G | 93 | Very high | 90.1 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 15.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q305 L424 Q425 S426 | Q305-G428 PolarHBondContact NE2-O 2.99Å; L424-G428 PolarHBondContact O-N 2.92Å; Q425-G428 PolarHBondContact O-N 3.15Å; S426-G428 VanDerWaalsContact C-N 3.32Å |
| 429 | L | 93.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -83.7 | -21.2 | 178.4 | -70.8 | 174.3 | 0 | 0 | 0 | 113 | V298 T301 M302 W307 L424 L427 | V298-L429 HydrophobicContact CB-CB 4.06Å; V298-L429 HydrophobicContact CG1-CB 3.83Å; V298-L429 HydrophobicContact CG2-CD1 4.22Å; T301-L429 HydrophobicContact CG2-CD2 4.39Å; T301-L429 WeakPolarHBondContact CG2-O 3.19Å; M302-L429 HydrophobicContact CB-CD2 4.49Å; M302-L429 HydrophobicContact CE-CD1 3.61Å; M302-L429 HydrophobicContact CG-CD1 4.34Å; M302-L429 HydrophobicContact CG-CD2 3.58Å; W307-L429 HydrophobicContact CD2-CD2 4.21Å; W307-L429 HydrophobicContact CH2-CD1 3.56Å; W307-L429 HydrophobicContact CH2-CD2 4.04Å; W307-L429 HydrophobicContact CH2-CG 3.87Å; W307-L429 HydrophobicContact CZ2-CD1 3.89Å; W307-L429 HydrophobicContact CZ2-CD2 3.51Å; W307-L429 HydrophobicContact CZ2-CG 3.64Å; W307-L429 HydrophobicContact CZ3-CD1 4.04Å; L424-L429 HydrophobicContact CD2-CD1 4.07Å; L424-L429 WeakPolarHBondContact O-CB 3.2Å; L424-L429 PolarHBondContact O-N 2.93Å; L427-L429 VanDerWaalsContact C-N 3.25Å; L427-L429 HydrophobicContact CB-CD1 4.16Å; L427-L429 HydrophobicContact CB-CG 4.14Å; L427-L429 HydrophobicContact CD1-CD1 4.17Å; L427-L429 PolarHBondContact O-N 3.39Å |
| 430 | L | 91.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -110.7 | 146.6 | 166.7 | -70.2 | 176.4 | 0 | 0 | 0 | 109.9 | V298 P421 L424 Q425 F434 | V298-L430 HydrophobicContact CG1-CD2 3.82Å; V298-L430 HydrophobicContact CG1-CG 4.01Å; P421-L430 HydrophobicContact CB-CD1 3.88Å; L424-L430 HydrophobicContact CB-CD1 3.78Å; L424-L430 HydrophobicContact CB-CG 3.92Å; L424-L430 HydrophobicContact CD1-CD1 4.29Å; L424-L430 PolarHBondContact O-N 2.87Å; Q425-L430 HydrophobicContact CB-CB 4.48Å; Q425-L430 HydrophobicContact CG-CB 3.58Å; Q425-L430 HydrophobicContact CG-CD1 4.22Å; L430-F434 HydrophobicContact CB-CB 4.5Å; L430-F434 HydrophobicContact CD1-CD1 4.15Å; L430-F434 HydrophobicContact CD1-CE1 4.07Å; L430-F434 HydrophobicContact CD1-CZ 4.32Å; L430-F434 HydrophobicContact CD2-CD2 4.45Å; L430-F434 HydrophobicContact CD2-CE2 4.49Å |
| 431 | P | 87.4 | Confident | 90.5 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | trans | -54.6 | 144.7 | 174.5 | -24.8 | 33.6 | 0 | 0 | 0 | 112.3 | Q425 D433 F434 | Q425-P431 PolarHBondContact NE2-O 3.04Å; P431-D433 WeakPolarHBondContact CB-OD1 3.44Å; P431-D433 PolarHBondContact O-N 3.4Å; P431-F434 HydrophobicContact CB-CB 4.36Å; P431-F434 WeakPolarHBondContact O-CB 3.36Å; P431-F434 PolarHBondContact O-N 2.84Å | ||
| 432 | S | 85.6 | Confident | 90.9 | Very high | 121 Ų | 121 | 52.8 Ų | 52.8 | 85% | 0.846 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.7 | 179 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 433 | D | 86.4 | Confident | 91.2 | Very high | 128 Ų | 128 | 46.9 Ų | 46.9 | 68% | 0.684 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 5.8 | 175.5 | 64.4 | -25.2 | 0 | 0 | 0 | 113.1 | P431 V435 | P431-D433 WeakPolarHBondContact CB-OD1 3.44Å; P431-D433 PolarHBondContact O-N 3.4Å; D433-V435 PolarHBondContact O-N 3.17Å |
| 434 | F | 86.6 | Confident | 91.2 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | trans | -60.3 | 125.3 | 173.2 | 171.3 | -87.4 | 0 | 0 | 0 | 110.2 | P294 I296 P421 Q425 L430 P431 Y436 T440 | P294-F434 HydrophobicContact CB-CE2 4.32Å; I296-F434 HydrophobicContact CG1-CZ 4.25Å; P421-F434 HydrophobicContact CB-CE1 3.84Å; Q425-F434 PolarHBondContact NE2-O 2.82Å; L430-F434 HydrophobicContact CB-CB 4.5Å; L430-F434 HydrophobicContact CD1-CD1 4.15Å; L430-F434 HydrophobicContact CD1-CE1 4.07Å; L430-F434 HydrophobicContact CD1-CZ 4.32Å; L430-F434 HydrophobicContact CD2-CD2 4.45Å; L430-F434 HydrophobicContact CD2-CE2 4.49Å; P431-F434 HydrophobicContact CB-CB 4.36Å; P431-F434 WeakPolarHBondContact O-CB 3.36Å; P431-F434 PolarHBondContact O-N 2.84Å; F434-Y436 HydrophobicContact CE1-CD2 4.18Å; F434-Y436 HydrophobicContact CZ-CD2 4.49Å; F434-T440 HydrophobicContact CE1-CG2 4.48Å; F434-T440 HydrophobicContact CE2-CG2 4.21Å; F434-T440 HydrophobicContact CZ-CG2 3.59Å | ||
| 435 | V | 85.2 | Confident | 91.3 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | trans | -101.6 | 113.8 | -179.5 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | D433 D437 | D433-V435 PolarHBondContact O-N 3.17Å; V435-D437 VanDerWaalsContact C-N 3.34Å; V435-D437 HydrophobicContact CG1-CB 4.29Å; V435-D437 PolarHBondContact O-N 3.35Å; V435-D437 VanDerWaalsContact O-N 3.07Å | ||
| 436 | Y | 87.5 | Confident | 91.6 | Very high | 66 Ų | 66 | 44 Ų | 44 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | trans | -80.5 | 83.7 | 170.6 | -168.2 | -118.1 | 0 | 0 | 0 | 109.9 | I296 P421 F434 T440 E441 F444 | I296-Y436 HydrophobicContact CD1-CE2 4.19Å; P421-Y436 HydrophobicContact CB-CD2 4.1Å; P421-Y436 HydrophobicContact CB-CE2 4.5Å; P421-Y436 HydrophobicContact CB-CG 4.45Å; P421-Y436 HydrophobicContact CG-CD2 3.65Å; P421-Y436 HydrophobicContact CG-CE2 3.58Å; P421-Y436 HydrophobicContact CG-CG 4.33Å; F434-Y436 HydrophobicContact CE1-CD2 4.18Å; F434-Y436 HydrophobicContact CZ-CD2 4.49Å; Y436-T440 HydrophobicContact CD2-CG2 3.91Å; Y436-T440 HydrophobicContact CE2-CG2 4.23Å; Y436-E441 HydrophobicContact CE1-CB 3.91Å; Y436-E441 HydrophobicContact CE1-CG 4.08Å; Y436-E441 HydrophobicContact CE2-CB 4.12Å; Y436-E441 WeakPolarHBondContact OH-CA 3.22Å; Y436-E441 WeakPolarHBondContact OH-CG 3.37Å; Y436-F444 HydrophobicContact CE2-CB 4.29Å; Y436-F444 WeakPolarHBondContact OH-CD1 3.45Å | ||
| 437 | D | 90.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | trans | -89.4 | 177.7 | 176.9 | 66.9 | 19.4 | 0 | 0 | 0 | 112.7 | K293 V435 E439 T440 E441 | K293-D437 IonicContact NZ-OD1 2.62Å; K293-D437 IonicContact NZ-OD2 3.96Å; K293-D437 PolarHBondContact NZ-OD2 2.9Å; V435-D437 VanDerWaalsContact C-N 3.34Å; V435-D437 HydrophobicContact CG1-CB 4.29Å; V435-D437 PolarHBondContact O-N 3.35Å; V435-D437 VanDerWaalsContact O-N 3.07Å; D437-E439 VanDerWaalsContact C-N 3.27Å; D437-E439 PolarHBondContact O-N 2.66Å; D437-E439 PolarHBondContact OD1-N 2.75Å; D437-T440 PolarHBondContact O-N 3.32Å; D437-T440 WeakPolarHBondContact OD1-CB 3.35Å; D437-T440 PolarHBondContact OD1-N 3.44Å; D437-T440 PolarHBondContact OD1-OG1 3.18Å; D437-E441 WeakPolarHBondContact O-CB 3.44Å; D437-E441 PolarHBondContact O-N 2.93Å | ||
| 438 | S | 92.7 | Very high | 91.6 | Very high | 85 Ų | 85 | 41.3 Ų | 41.3 | 59% | 0.594 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.1 | -33 | -178.3 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | I442 | S438-I442 VanDerWaalsContact O-CG1 3.28Å; S438-I442 WeakPolarHBondContact O-CG1 3.45Å; S438-I442 PolarHBondContact O-N 2.79Å; S438-I442 VanDerWaalsContact O-N 3.09Å |
| 439 | E | 94.6 | Very high | 91.9 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.8 | -41.9 | -179.6 | -66.4 | -176.7 | 144.1 | 0 | 0 | 110.6 | Y290 K293 D437 E441 I442 N443 | Y290-E439 HydrophobicContact CD1-CB 4.1Å; Y290-E439 HydrophobicContact CD1-CG 3.92Å; Y290-E439 HydrophobicContact CD2-CB 3.68Å; Y290-E439 HydrophobicContact CD2-CG 4.14Å; Y290-E439 WeakPolarHBondContact CD2-O 3.41Å; Y290-E439 HydrophobicContact CE1-CB 4.33Å; Y290-E439 HydrophobicContact CE1-CG 3.76Å; Y290-E439 VanDerWaalsContact CE1-OE1 3.29Å; Y290-E439 WeakPolarHBondContact CE1-OE1 3.42Å; Y290-E439 HydrophobicContact CE2-CB 3.98Å; Y290-E439 HydrophobicContact CE2-CG 4.03Å; Y290-E439 HydrophobicContact CG-CB 3.76Å; Y290-E439 HydrophobicContact CG-CG 4.1Å; K293-E439 WeakPolarHBondContact CE-OE2 3.33Å; K293-E439 HydrophobicContact CG-CB 4.26Å; K293-E439 IonicContact NZ-OE2 3.79Å; K293-E439 PolarHBondContact NZ-OE2 2.89Å; D437-E439 VanDerWaalsContact C-N 3.27Å; D437-E439 PolarHBondContact O-N 2.66Å; D437-E439 PolarHBondContact OD1-N 2.75Å; E439-E441 VanDerWaalsContact C-N 3.35Å; E439-I442 PolarHBondContact O-N 3.13Å; E439-N443 PolarHBondContact O-N 3.28Å |
| 440 | T | 92.4 | Very high | 92 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.1 | -37 | 176.2 | -49.1 | 0 | 0 | 0 | 0 | 111.5 | I296 F434 Y436 D437 N443 F444 | I296-T440 HydrophobicContact CD1-CG2 4.12Å; I296-T440 HydrophobicContact CG1-CG2 4.29Å; F434-T440 HydrophobicContact CE1-CG2 4.48Å; F434-T440 HydrophobicContact CE2-CG2 4.21Å; F434-T440 HydrophobicContact CZ-CG2 3.59Å; Y436-T440 HydrophobicContact CD2-CG2 3.91Å; Y436-T440 HydrophobicContact CE2-CG2 4.23Å; D437-T440 PolarHBondContact O-N 3.32Å; D437-T440 WeakPolarHBondContact OD1-CB 3.35Å; D437-T440 PolarHBondContact OD1-N 3.44Å; D437-T440 PolarHBondContact OD1-OG1 3.18Å; T440-N443 WeakPolarHBondContact O-CB 3.37Å; T440-N443 PolarHBondContact O-N 3.16Å; T440-F444 PolarHBondContact O-N 3.29Å |
| 441 | E | 93.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 172.7 | 178.7 | 174.2 | -144.5 | 0 | 0 | 112.4 | Y436 D437 E439 F444 L445 K596 | Y436-E441 HydrophobicContact CE1-CB 3.91Å; Y436-E441 HydrophobicContact CE1-CG 4.08Å; Y436-E441 HydrophobicContact CE2-CB 4.12Å; Y436-E441 WeakPolarHBondContact OH-CA 3.22Å; Y436-E441 WeakPolarHBondContact OH-CG 3.37Å; D437-E441 WeakPolarHBondContact O-CB 3.44Å; D437-E441 PolarHBondContact O-N 2.93Å; E439-E441 VanDerWaalsContact C-N 3.35Å; E441-F444 WeakPolarHBondContact O-CB 3.38Å; E441-F444 PolarHBondContact O-N 3Å; E441-L445 HydrophobicContact CG-CD1 3.99Å; E441-L445 HydrophobicContact CG-CG 4.38Å; E441-L445 WeakPolarHBondContact O-CB 3.18Å; E441-L445 VanDerWaalsContact O-CG 3.32Å; E441-L445 WeakPolarHBondContact O-CG 3.15Å; E441-L445 PolarHBondContact O-N 2.87Å; E441-K596 WeakPolarHBondContact OE1-CD 3.37Å; E441-K596 IonicContact OE1-NZ 2.77Å; E441-K596 PolarHBondContact OE1-NZ 3.1Å; E441-K596 WeakPolarHBondContact OE2-CD 3.46Å; E441-K596 IonicContact OE2-NZ 3.32Å; E441-K596 PolarHBondContact OE2-NZ 2.99Å |
| 442 | I | 96.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.9 | -70 | -61 | 0 | 0 | 0 | 111.4 | P289 Y290 S438 E439 L445 L446 L597 W600 | P289-I442 HydrophobicContact CB-CG2 4.15Å; P289-I442 HydrophobicContact CG-CG2 3.97Å; Y290-I442 HydrophobicContact CD2-CG2 4.45Å; Y290-I442 HydrophobicContact CE2-CB 4.1Å; Y290-I442 HydrophobicContact CE2-CG2 3.95Å; S438-I442 VanDerWaalsContact O-CG1 3.28Å; S438-I442 WeakPolarHBondContact O-CG1 3.45Å; S438-I442 PolarHBondContact O-N 2.79Å; S438-I442 VanDerWaalsContact O-N 3.09Å; E439-I442 PolarHBondContact O-N 3.13Å; I442-L445 PolarHBondContact O-N 3.36Å; I442-L446 WeakPolarHBondContact O-CB 3.36Å; I442-L446 PolarHBondContact O-N 3.47Å; I442-L597 HydrophobicContact CG2-CD1 4.35Å; I442-W600 HydrophobicContact CD1-CB 3.56Å; I442-W600 HydrophobicContact CD1-CD2 4.46Å; I442-W600 HydrophobicContact CD1-CG 3.75Å; I442-W600 HydrophobicContact CG1-CB 4.35Å; I442-W600 HydrophobicContact CG1-CG 4.03Å; I442-W600 HydrophobicContact CG2-CD2 3.71Å; I442-W600 HydrophobicContact CG2-CE3 4.02Å; I442-W600 HydrophobicContact CG2-CG 4.05Å; I442-W600 HydrophobicContact CG2-CZ2 4.22Å; I442-W600 HydrophobicContact CG2-CZ3 4.41Å |
| 443 | N | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 173 | -82.3 | 4.5 | 0 | 0 | 0 | 111.6 | Y284 P289 Y290 E439 T440 K447 | Y284-N443 WeakPolarHBondContact CE2-O 3.41Å; P289-N443 VanDerWaalsContact CD-OD1 3.28Å; P289-N443 WeakPolarHBondContact CD-OD1 3.39Å; Y290-N443 PolarHBondContact N-OD1 3.31Å; Y290-N443 PolarHBondContact O-ND2 2.91Å; E439-N443 PolarHBondContact O-N 3.28Å; T440-N443 WeakPolarHBondContact O-CB 3.37Å; T440-N443 PolarHBondContact O-N 3.16Å; N443-K447 PolarHBondContact O-N 2.88Å; N443-K447 VanDerWaalsContact O-N 3.14Å |
| 444 | F | 92.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.2 | -54.9 | 176.1 | 176.5 | -110.2 | 0 | 0 | 0 | 111.8 | I296 A419 Y436 T440 E441 L446 K447 Q448 Y593 | I296-F444 HydrophobicContact CD1-CB 3.51Å; I296-F444 HydrophobicContact CD1-CD2 3.83Å; I296-F444 HydrophobicContact CD1-CG 4.04Å; A419-F444 HydrophobicContact CB-CE2 4.45Å; Y436-F444 HydrophobicContact CE2-CB 4.29Å; Y436-F444 WeakPolarHBondContact OH-CD1 3.45Å; T440-F444 PolarHBondContact O-N 3.29Å; E441-F444 WeakPolarHBondContact O-CB 3.38Å; E441-F444 PolarHBondContact O-N 3Å; F444-L446 VanDerWaalsContact C-N 3.28Å; F444-L446 PolarHBondContact O-N 3.24Å; F444-K447 WeakPolarHBondContact O-CB 3.43Å; F444-K447 PolarHBondContact O-N 2.89Å; F444-K447 VanDerWaalsContact O-N 3.1Å; F444-Q448 HydrophobicContact CD1-CG 4.37Å; F444-Q448 HydrophobicContact CD2-CG 4.35Å; F444-Q448 HydrophobicContact CE1-CG 3.97Å; F444-Q448 HydrophobicContact CE2-CG 3.95Å; F444-Q448 HydrophobicContact CZ-CG 3.73Å; F444-Q448 WeakPolarHBondContact O-CG 3.39Å; F444-Q448 PolarHBondContact O-N 3.47Å; F444-Y593 WeakPolarHBondContact CE1-OH 3.18Å |
| 445 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | -177.1 | -72.1 | 173.7 | 0 | 0 | 0 | 111.5 | E441 I442 Q448 A449 Y593 F594 K596 L597 | E441-L445 HydrophobicContact CG-CD1 3.99Å; E441-L445 HydrophobicContact CG-CG 4.38Å; E441-L445 WeakPolarHBondContact O-CB 3.18Å; E441-L445 VanDerWaalsContact O-CG 3.32Å; E441-L445 WeakPolarHBondContact O-CG 3.15Å; E441-L445 PolarHBondContact O-N 2.87Å; I442-L445 PolarHBondContact O-N 3.36Å; L445-Q448 PolarHBondContact O-N 2.91Å; L445-A449 VanDerWaalsContact O-CB 3.3Å; L445-A449 WeakPolarHBondContact O-CB 3.24Å; L445-A449 PolarHBondContact O-N 3.49Å; L445-Y593 HydrophobicContact CD2-CD1 4.13Å; L445-Y593 HydrophobicContact CD2-CE1 3.79Å; L445-F594 HydrophobicContact CD2-CD1 4.32Å; L445-K596 HydrophobicContact CD1-CB 3.9Å; L445-L597 HydrophobicContact CB-CB 3.84Å; L445-L597 HydrophobicContact CB-CD1 4.46Å; L445-L597 HydrophobicContact CB-CD2 4.23Å; L445-L597 HydrophobicContact CB-CG 4.39Å; L445-L597 HydrophobicContact CD1-CB 4.12Å; L445-L597 WeakPolarHBondContact O-CD2 3.32Å |
| 446 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 174.5 | -175.9 | 73.6 | 0 | 0 | 0 | 111.1 | L245 Y248 S287 P289 I442 F444 Q448 A449 L450 L597 | L245-L446 HydrophobicContact CD1-CD1 3.54Å; Y248-L446 HydrophobicContact CD1-CD1 4.23Å; Y248-L446 HydrophobicContact CE1-CD1 4.24Å; Y248-L446 HydrophobicContact CE1-CD2 3.79Å; S287-L446 VanDerWaalsContact O-CD2 3.28Å; S287-L446 WeakPolarHBondContact O-CD2 3.48Å; P289-L446 VanDerWaalsContact CD-CD2 3.44Å; P289-L446 HydrophobicContact CG-CD2 3.77Å; I442-L446 WeakPolarHBondContact O-CB 3.36Å; I442-L446 PolarHBondContact O-N 3.47Å; F444-L446 VanDerWaalsContact C-N 3.28Å; F444-L446 PolarHBondContact O-N 3.24Å; L446-Q448 VanDerWaalsContact C-N 3.27Å; L446-Q448 PolarHBondContact O-N 3.39Å; L446-A449 PolarHBondContact O-N 3.03Å; L446-A449 VanDerWaalsContact O-N 3.11Å; L446-L450 HydrophobicContact CG-CD1 4.26Å; L446-L450 HydrophobicContact CG-CG 4.35Å; L446-L450 VanDerWaalsContact O-CG 3.32Å; L446-L450 WeakPolarHBondContact O-CG 3.49Å; L446-L450 PolarHBondContact O-N 3.32Å; L446-L597 HydrophobicContact CB-CD1 4.13Å; L446-L597 HydrophobicContact CD1-CD1 4.35Å |
| 447 | K | 93.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 17 Ų | 17 | 13% | 0.126 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.7 | -45.5 | 177.1 | -167.8 | 172.1 | -178.4 | 174.8 | 0 | 110.6 | Y284 D297 N443 F444 L450 | Y284-K447 HydrophobicContact CD1-CD 4.15Å; Y284-K447 HydrophobicContact CD1-CG 4.39Å; Y284-K447 HydrophobicContact CD2-CB 3.66Å; Y284-K447 HydrophobicContact CD2-CG 4Å; Y284-K447 HydrophobicContact CE1-CD 4.15Å; Y284-K447 HydrophobicContact CE2-CB 3.65Å; Y284-K447 HydrophobicContact CE2-CG 4.28Å; Y284-K447 HydrophobicContact CG-CB 4.24Å; Y284-K447 HydrophobicContact CG-CD 4.32Å; Y284-K447 HydrophobicContact CG-CG 4.05Å; D297-K447 IonicContact OD2-NZ 3.92Å; D297-K447 PolarHBondContact OD2-NZ 3.25Å; N443-K447 PolarHBondContact O-N 2.88Å; N443-K447 VanDerWaalsContact O-N 3.14Å; F444-K447 WeakPolarHBondContact O-CB 3.43Å; F444-K447 PolarHBondContact O-N 2.89Å; F444-K447 VanDerWaalsContact O-N 3.1Å; K447-L450 PolarHBondContact O-N 3.48Å |
| 448 | Q | 93.4 | Very high | 95.6 | Very high | 27 Ų | 27 | 15 Ų | 15 | 13% | 0.126 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.4 | -65.8 | -58.2 | -52 | 0 | 0 | 112.3 | F444 L445 L446 L450 T451 I452 F594 | F444-Q448 HydrophobicContact CD1-CG 4.37Å; F444-Q448 HydrophobicContact CD2-CG 4.35Å; F444-Q448 HydrophobicContact CE1-CG 3.97Å; F444-Q448 HydrophobicContact CE2-CG 3.95Å; F444-Q448 HydrophobicContact CZ-CG 3.73Å; F444-Q448 WeakPolarHBondContact O-CG 3.39Å; F444-Q448 PolarHBondContact O-N 3.47Å; L445-Q448 PolarHBondContact O-N 2.91Å; L446-Q448 VanDerWaalsContact C-N 3.27Å; L446-Q448 PolarHBondContact O-N 3.39Å; Q448-L450 VanDerWaalsContact C-N 3.34Å; Q448-L450 PolarHBondContact O-N 3.39Å; Q448-T451 PolarHBondContact O-N 2.78Å; Q448-T451 VanDerWaalsContact O-N 3.15Å; Q448-I452 HydrophobicContact CB-CD1 4.42Å; Q448-I452 WeakPolarHBondContact O-CB 3.14Å; Q448-I452 WeakPolarHBondContact O-CG1 3.3Å; Q448-I452 PolarHBondContact O-N 3.21Å; Q448-F594 HydrophobicContact CB-CE1 3.83Å; Q448-F594 HydrophobicContact CB-CZ 4.03Å |
| 449 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.5 | -33.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L245 L445 L446 T451 V453 A454 F594 L597 | L245-A449 HydrophobicContact CD1-CB 4.46Å; L245-A449 HydrophobicContact CD2-CB 4.11Å; L445-A449 VanDerWaalsContact O-CB 3.3Å; L445-A449 WeakPolarHBondContact O-CB 3.24Å; L445-A449 PolarHBondContact O-N 3.49Å; L446-A449 PolarHBondContact O-N 3.03Å; L446-A449 VanDerWaalsContact O-N 3.11Å; A449-T451 PolarHBondContact O-N 3.29Å; A449-V453 HydrophobicContact CB-CB 4.29Å; A449-V453 HydrophobicContact CB-CG2 4.07Å; A449-V453 WeakPolarHBondContact O-CA 3.38Å; A449-V453 WeakPolarHBondContact O-CB 3.34Å; A449-V453 PolarHBondContact O-N 3.5Å; A449-A454 PolarHBondContact O-N 3.42Å; A449-F594 HydrophobicContact CB-CD1 4Å; A449-F594 HydrophobicContact CB-CE1 3.71Å; A449-F594 HydrophobicContact CB-CZ 4.4Å; A449-L597 HydrophobicContact CB-CD2 3.42Å; A449-L597 VanDerWaalsContact CB-CD2 3.42Å |
| 450 | L | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.9 | -27.1 | 174.3 | -69.4 | 174.4 | 0 | 0 | 0 | 112.9 | L245 V249 W280 Y284 L446 K447 Q448 A454 | L245-L450 HydrophobicContact CD1-CD2 4.19Å; V249-L450 HydrophobicContact CG2-CD2 3.68Å; W280-L450 WeakPolarHBondContact CA-O 3.41Å; W280-L450 HydrophobicContact CB-CB 4.14Å; W280-L450 HydrophobicContact CB-CD2 3.86Å; W280-L450 WeakPolarHBondContact CB-O 3.44Å; W280-L450 HydrophobicContact CE3-CD2 4.11Å; W280-L450 PolarHBondContact N-O 2.91Å; Y284-L450 HydrophobicContact CD2-CD1 4.25Å; L446-L450 HydrophobicContact CG-CD1 4.26Å; L446-L450 HydrophobicContact CG-CG 4.35Å; L446-L450 VanDerWaalsContact O-CG 3.32Å; L446-L450 WeakPolarHBondContact O-CG 3.49Å; L446-L450 PolarHBondContact O-N 3.32Å; K447-L450 PolarHBondContact O-N 3.48Å; Q448-L450 VanDerWaalsContact C-N 3.34Å; Q448-L450 PolarHBondContact O-N 3.39Å; L450-A454 WeakPolarHBondContact O-CB 3.3Å |
| 451 | T | 92.3 | Very high | 96.4 | Very high | 43 Ų | 43 | 8.4 Ų | 8.4 | 26% | 0.264 | 4% | 0.042 | S | C | . | . | H | α-helix | trans | -88.2 | -49.2 | 173.6 | -53 | 0 | 0 | 0 | 0 | 111.2 | F279 T281 Q448 A449 T455 | F279-T451 HydrophobicContact CD1-CG2 4.1Å; F279-T451 WeakPolarHBondContact CD1-O 3.26Å; F279-T451 HydrophobicContact CE1-CG2 4.43Å; T281-T451 WeakPolarHBondContact CG2-OG1 3.32Å; T281-T451 PolarHBondContact OG1-OG1 3.27Å; Q448-T451 PolarHBondContact O-N 2.78Å; Q448-T451 VanDerWaalsContact O-N 3.15Å; A449-T451 PolarHBondContact O-N 3.29Å; T451-T455 WeakPolarHBondContact O-CG2 3.31Å |
| 452 | I | 95.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 7.6 Ų | 7.6 | 5% | 0.051 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -90 | -50.3 | -165.6 | -62.7 | 173.7 | 0 | 0 | 0 | 112 | L416 Q448 T455 L456 T525 F529 F594 | L416-I452 HydrophobicContact CD2-CD1 4.03Å; Q448-I452 HydrophobicContact CB-CD1 4.42Å; Q448-I452 WeakPolarHBondContact O-CB 3.14Å; Q448-I452 WeakPolarHBondContact O-CG1 3.3Å; Q448-I452 PolarHBondContact O-N 3.21Å; I452-T455 WeakPolarHBondContact O-CG2 3.15Å; I452-L456 WeakPolarHBondContact O-CG 3.41Å; I452-T525 HydrophobicContact CG2-CG2 3.63Å; I452-F529 HydrophobicContact CD1-CZ 4Å; I452-F529 HydrophobicContact CG2-CE2 3.63Å; I452-F529 HydrophobicContact CG2-CZ 3.86Å; I452-F594 HydrophobicContact CB-CE2 4.42Å; I452-F594 HydrophobicContact CB-CZ 4.17Å; I452-F594 HydrophobicContact CD1-CZ 4.24Å; I452-F594 HydrophobicContact CG2-CE2 4.1Å; I452-F594 HydrophobicContact CG2-CZ 4.33Å |
| 453 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -78.7 | -41.3 | -175.3 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | I238 L241 Y242 L245 A449 T455 L456 P457 F594 | I238-V453 HydrophobicContact CG2-CG1 4.43Å; L241-V453 HydrophobicContact CD2-CG1 4.15Å; L241-V453 HydrophobicContact CD2-CG2 3.91Å; L241-V453 HydrophobicContact CG-CG1 4.05Å; Y242-V453 HydrophobicContact CD2-CG1 4.44Å; L245-V453 HydrophobicContact CD2-CB 4.13Å; L245-V453 HydrophobicContact CD2-CG1 4.15Å; A449-V453 HydrophobicContact CB-CB 4.29Å; A449-V453 HydrophobicContact CB-CG2 4.07Å; A449-V453 WeakPolarHBondContact O-CA 3.38Å; A449-V453 WeakPolarHBondContact O-CB 3.34Å; A449-V453 PolarHBondContact O-N 3.5Å; V453-T455 VanDerWaalsContact C-N 3.29Å; V453-T455 PolarHBondContact O-N 3.06Å; V453-L456 PolarHBondContact O-N 3.13Å; V453-P457 WeakPolarHBondContact O-CD 3.49Å; V453-F594 HydrophobicContact CG2-CD1 4.49Å; V453-F594 HydrophobicContact CG2-CD2 3.74Å; V453-F594 HydrophobicContact CG2-CE1 4.42Å; V453-F594 HydrophobicContact CG2-CE2 3.66Å; V453-F594 HydrophobicContact CG2-CG 4.17Å; V453-F594 HydrophobicContact CG2-CZ 4.02Å |
| 454 | A | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.008 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64.9 | -30.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L245 W280 A449 L450 | L245-A454 HydrophobicContact CD2-CB 4.36Å; W280-A454 HydrophobicContact CB-CB 4.03Å; W280-A454 HydrophobicContact CD2-CB 3.55Å; W280-A454 HydrophobicContact CE3-CB 3.68Å; W280-A454 HydrophobicContact CG-CB 3.72Å; W280-A454 HydrophobicContact CZ3-CB 4.31Å; A449-A454 PolarHBondContact O-N 3.42Å; L450-A454 WeakPolarHBondContact O-CB 3.3Å |
| 455 | T | 97.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 7.1 Ų | 7.1 | 4% | 0.037 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -75.3 | -22.3 | 177.8 | -169.6 | 0 | 0 | 0 | 0 | 113.2 | R278 F279 T451 I452 V453 F458 T459 | R278-T455 VanDerWaalsContact O-CA 3.3Å; R278-T455 WeakPolarHBondContact O-CA 3.13Å; R278-T455 WeakPolarHBondContact O-CB 3.41Å; R278-T455 PolarHBondContact O-OG1 2.92Å; F279-T455 HydrophobicContact CD1-CG2 4.27Å; F279-T455 HydrophobicContact CE1-CG2 3.92Å; T451-T455 WeakPolarHBondContact O-CG2 3.31Å; I452-T455 WeakPolarHBondContact O-CG2 3.15Å; V453-T455 VanDerWaalsContact C-N 3.29Å; V453-T455 PolarHBondContact O-N 3.06Å; T455-F458 WeakPolarHBondContact O-CB 3.29Å; T455-F458 PolarHBondContact O-N 2.89Å; T455-T459 WeakPolarHBondContact O-CB 3.45Å; T455-T459 PolarHBondContact O-N 3.34Å; T455-T459 PolarHBondContact O-OG1 2.97Å; T455-T459 PolarHBondContact OG1-OG1 3.49Å |
| 456 | L | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | -171.4 | -74 | 163.5 | 0 | 0 | 0 | 112.9 | I238 I452 V453 F458 T459 Y460 F522 T525 L590 | I238-L456 HydrophobicContact CD1-CD1 3.97Å; I238-L456 HydrophobicContact CG2-CD1 4.18Å; I452-L456 WeakPolarHBondContact O-CG 3.41Å; V453-L456 PolarHBondContact O-N 3.13Å; L456-F458 VanDerWaalsContact C-N 3.34Å; L456-F458 PolarHBondContact O-N 2.85Å; L456-T459 PolarHBondContact O-N 3.11Å; L456-Y460 WeakPolarHBondContact O-CB 3.2Å; L456-Y460 PolarHBondContact O-N 3.39Å; L456-F522 HydrophobicContact CB-CD2 4.49Å; L456-F522 HydrophobicContact CB-CE2 4.37Å; L456-F522 HydrophobicContact CD2-CD2 3.71Å; L456-F522 HydrophobicContact CD2-CE2 4.02Å; L456-F522 HydrophobicContact CD2-CG 4.23Å; L456-T525 HydrophobicContact CD1-CG2 3.99Å; L456-T525 HydrophobicContact CD2-CG2 3.81Å; L456-T525 HydrophobicContact CG-CG2 4.18Å; L456-L590 HydrophobicContact CD1-CD1 3.79Å |
| 457 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 173.7 | -26.1 | 37.7 | 0 | 0 | 0 | 113.4 | Y235 M239 Y242 V453 M461 V491 | Y235-P457 HydrophobicContact CE2-CB 3.93Å; Y235-P457 HydrophobicContact CE2-CG 4.18Å; M239-P457 HydrophobicContact SD-CG 4.42Å; Y242-P457 HydrophobicContact CD1-CB 4.5Å; Y242-P457 HydrophobicContact CD1-CG 3.67Å; Y242-P457 HydrophobicContact CD2-CG 3.67Å; Y242-P457 HydrophobicContact CE1-CB 4.18Å; Y242-P457 HydrophobicContact CE1-CG 3.76Å; Y242-P457 HydrophobicContact CE2-CG 3.77Å; Y242-P457 HydrophobicContact CG-CG 3.62Å; V453-P457 WeakPolarHBondContact O-CD 3.49Å; P457-M461 WeakPolarHBondContact O-CB 3.23Å; P457-M461 PolarHBondContact O-N 2.71Å; P457-V491 HydrophobicContact CB-CG1 4.32Å; P457-V491 HydrophobicContact CB-CG2 4.42Å |
| 458 | F | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 1% | 0.013 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.1 | -51 | 175.9 | 176.1 | -79.4 | 0 | 0 | 0 | 110.8 | W276 G277 R278 T455 L456 M461 L462 L509 F518 | W276-F458 HydrophobicContact CB-CE2 3.92Å; W276-F458 HydrophobicContact CB-CZ 4.03Å; W276-F458 WeakPolarHBondContact O-CE2 3.19Å; G277-F458 WeakPolarHBondContact O-CD2 3.35Å; R278-F458 HydrophobicContact CB-CD1 4.36Å; R278-F458 HydrophobicContact CB-CE1 4.13Å; R278-F458 HydrophobicContact CB-CZ 4.24Å; R278-F458 HydrophobicContact CG-CD1 4.18Å; R278-F458 HydrophobicContact CG-CE1 4.09Å; T455-F458 WeakPolarHBondContact O-CB 3.29Å; T455-F458 PolarHBondContact O-N 2.89Å; L456-F458 VanDerWaalsContact C-N 3.34Å; L456-F458 PolarHBondContact O-N 2.85Å; F458-M461 PolarHBondContact O-N 3.39Å; F458-L462 HydrophobicContact CE1-CD1 3.86Å; F458-L462 HydrophobicContact CZ-CD1 4.14Å; F458-L462 WeakPolarHBondContact O-CB 3.41Å; F458-L462 PolarHBondContact O-N 2.89Å; F458-L509 HydrophobicContact CE1-CD1 3.93Å; F458-L509 HydrophobicContact CZ-CD1 3.57Å; F458-F518 AromaticContact CD1-CE1 3.92Å; F458-F518 HydrophobicContact CD1-CE1 3.92Å; F458-F518 HydrophobicContact CD1-CZ 4.36Å; F458-F518 AromaticContact CE1-CE1 3.76Å; F458-F518 HydrophobicContact CE1-CE1 3.76Å; F458-F518 AromaticContact CE1-CZ 3.89Å; F458-F518 HydrophobicContact CE1-CZ 3.89Å |
| 459 | T | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.3 | -46.3 | -177.9 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | T455 L456 L462 E463 F518 F522 | T455-T459 WeakPolarHBondContact O-CB 3.45Å; T455-T459 PolarHBondContact O-N 3.34Å; T455-T459 PolarHBondContact O-OG1 2.97Å; T455-T459 PolarHBondContact OG1-OG1 3.49Å; L456-T459 PolarHBondContact O-N 3.11Å; T459-L462 PolarHBondContact O-N 2.93Å; T459-E463 PolarHBondContact O-N 3.46Å; T459-F518 HydrophobicContact CG2-CD1 3.63Å; T459-F518 HydrophobicContact CG2-CE1 3.85Å; T459-F518 VanDerWaalsContact CG2-O 3.3Å; T459-F518 WeakPolarHBondContact CG2-O 3.38Å; T459-F522 HydrophobicContact CG2-CB 3.83Å |
| 460 | Y | 98.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 7 Ų | 7 | 7% | 0.067 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -59.2 | -52.2 | 176.5 | 168.2 | -116.6 | 0 | 0 | 0 | 111.8 | V231 R232 Y235 L456 L462 E463 E464 L490 | V231-Y460 HydrophobicContact CG1-CD2 3.46Å; V231-Y460 VanDerWaalsContact CG1-CD2 3.46Å; V231-Y460 HydrophobicContact CG1-CE2 3.85Å; R232-Y460 HydrophobicContact CG-CE2 4.01Å; R232-Y460 WeakPolarHBondContact CG-OH 3.38Å; Y235-Y460 AromaticContact CD1-CD1 3.74Å; Y235-Y460 HydrophobicContact CD1-CD1 3.74Å; Y235-Y460 AromaticContact CD1-CE1 3.55Å; Y235-Y460 HydrophobicContact CD1-CE1 3.55Å; Y235-Y460 AromaticContact CD2-CD1 3.39Å; Y235-Y460 HydrophobicContact CD2-CD1 3.39Å; Y235-Y460 HydrophobicContact CD2-CE1 4.11Å; Y235-Y460 AromaticContact CD2-CG 3.89Å; Y235-Y460 HydrophobicContact CD2-CG 3.89Å; Y235-Y460 AromaticContact CE1-CD1 3.93Å; Y235-Y460 HydrophobicContact CE1-CD1 3.93Å; Y235-Y460 AromaticContact CE1-CE1 3.74Å; Y235-Y460 HydrophobicContact CE1-CE1 3.74Å; Y235-Y460 AromaticContact CE2-CD1 3.6Å; Y235-Y460 HydrophobicContact CE2-CD1 3.6Å; Y235-Y460 HydrophobicContact CE2-CE1 4.27Å; Y235-Y460 HydrophobicContact CE2-CG 4.44Å; Y235-Y460 AromaticContact CG-CD1 3.46Å; Y235-Y460 HydrophobicContact CG-CD1 3.46Å; Y235-Y460 VanDerWaalsContact CG-CD1 3.46Å; Y235-Y460 AromaticContact CG-CE1 3.74Å; Y235-Y460 HydrophobicContact CG-CE1 3.74Å; Y235-Y460 AromaticContact CG-CG 4Å; Y235-Y460 HydrophobicContact CG-CG 4Å; Y235-Y460 AromaticContact CZ-CD1 3.85Å; L456-Y460 WeakPolarHBondContact O-CB 3.2Å; L456-Y460 PolarHBondContact O-N 3.39Å; Y460-L462 VanDerWaalsContact C-N 3.31Å; Y460-L462 PolarHBondContact O-N 3.2Å; Y460-E463 PolarHBondContact O-N 2.88Å; Y460-E464 HydrophobicContact CE2-CB 4.1Å; Y460-E464 HydrophobicContact CE2-CG 4.45Å; Y460-E464 WeakPolarHBondContact O-CB 3.44Å; Y460-E464 PolarHBondContact O-N 3.19Å; Y460-E464 PolarHBondContact OH-OE2 3.31Å; Y460-L490 HydrophobicContact CD1-CD1 4.39Å; Y460-L490 HydrophobicContact CE1-CD1 3.9Å; Y460-L490 HydrophobicContact CE1-CD2 4.37Å |
| 461 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | -176.7 | -179.3 | -76.6 | -48 | 0 | 0 | 112 | P457 F458 E464 W465 W483 M486 K487 L490 V491 | P457-M461 WeakPolarHBondContact O-CB 3.23Å; P457-M461 PolarHBondContact O-N 2.71Å; F458-M461 PolarHBondContact O-N 3.39Å; M461-E464 PolarHBondContact O-N 2.82Å; M461-W465 WeakPolarHBondContact O-CB 3.25Å; M461-W465 PolarHBondContact O-N 2.91Å; M461-W483 HydrophobicContact CE-CE3 4.22Å; M461-W483 HydrophobicContact CE-CH2 3.69Å; M461-W483 HydrophobicContact CE-CZ2 4.19Å; M461-W483 HydrophobicContact CE-CZ3 3.7Å; M461-W483 HydrophobicContact SD-CE3 3.9Å; M461-W483 HydrophobicContact SD-CH2 4.42Å; M461-W483 HydrophobicContact SD-CZ3 3.84Å; M461-M486 HydrophobicContact CG-CB 3.77Å; M461-M486 HydrophobicContact CG-CE 4.39Å; M461-M486 HydrophobicContact SD-CB 3.89Å; M461-K487 HydrophobicContact CE-CD 3.46Å; M461-K487 VanDerWaalsContact CE-CD 3.46Å; M461-K487 HydrophobicContact CE-CG 3.67Å; M461-K487 HydrophobicContact SD-CG 4.14Å; M461-L490 HydrophobicContact CB-CB 4.08Å; M461-L490 HydrophobicContact CB-CD1 4.03Å; M461-L490 HydrophobicContact CG-CB 4.07Å; M461-L490 HydrophobicContact CG-CD1 3.86Å; M461-L490 HydrophobicContact CG-CG 4.47Å; M461-V491 HydrophobicContact CB-CG2 3.81Å; M461-V491 HydrophobicContact CE-CG2 4.07Å; M461-V491 HydrophobicContact CG-CG2 4.04Å |
| 462 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 179.3 | -175.6 | 157.6 | 0 | 0 | 0 | 111.7 | F458 T459 Y460 W465 R466 W483 L509 V512 F518 | F458-L462 HydrophobicContact CE1-CD1 3.86Å; F458-L462 HydrophobicContact CZ-CD1 4.14Å; F458-L462 WeakPolarHBondContact O-CB 3.41Å; F458-L462 PolarHBondContact O-N 2.89Å; T459-L462 PolarHBondContact O-N 2.93Å; Y460-L462 VanDerWaalsContact C-N 3.31Å; Y460-L462 PolarHBondContact O-N 3.2Å; L462-W465 PolarHBondContact O-N 3.18Å; L462-R466 HydrophobicContact CD2-CG 4.38Å; L462-R466 WeakPolarHBondContact O-CG 3.47Å; L462-R466 PolarHBondContact O-N 3.48Å; L462-R466 VanDerWaalsContact O-N 3.08Å; L462-W483 HydrophobicContact CB-CH2 4.41Å; L462-W483 HydrophobicContact CB-CZ3 4.32Å; L462-W483 HydrophobicContact CD1-CH2 4.32Å; L462-W483 HydrophobicContact CG-CH2 4.26Å; L462-W483 HydrophobicContact CG-CZ3 4.25Å; L462-L509 HydrophobicContact CD1-CD1 4.27Å; L462-V512 HydrophobicContact CD1-CG2 4.1Å; L462-V512 HydrophobicContact CD2-CG2 4.04Å; L462-V512 HydrophobicContact CG-CG2 4.41Å; L462-F518 HydrophobicContact CB-CD1 4.33Å; L462-F518 HydrophobicContact CD1-CD1 4.13Å; L462-F518 HydrophobicContact CD1-CE1 4.15Å; L462-F518 HydrophobicContact CD2-CB 3.76Å; L462-F518 HydrophobicContact CD2-CD1 3.85Å; L462-F518 HydrophobicContact CD2-CG 3.87Å; L462-F518 HydrophobicContact CG-CD1 4.34Å |
| 463 | E | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71 | -38.9 | 177.5 | -84.8 | -65.3 | 143.8 | 0 | 0 | 113.2 | T459 Y460 W465 R466 W467 F518 I519 | T459-E463 PolarHBondContact O-N 3.46Å; Y460-E463 PolarHBondContact O-N 2.88Å; E463-W465 PolarHBondContact O-N 3.36Å; E463-R466 PolarHBondContact O-N 2.74Å; E463-R466 VanDerWaalsContact O-N 3.13Å; E463-R466 IonicContact OE1-CZ 3.41Å; E463-R466 IonicContact OE1-NH1 3.53Å; E463-R466 PolarHBondContact OE1-NH1 3.25Å; E463-W467 HydrophobicContact CB-CZ2 4.34Å; E463-W467 WeakPolarHBondContact O-CB 3.46Å; E463-W467 VanDerWaalsContact O-CG 3.28Å; E463-W467 PolarHBondContact O-N 3.44Å; E463-W467 PolarHBondContact OE2-NE1 2.93Å; E463-F518 HydrophobicContact CG-CB 3.8Å; E463-F518 WeakPolarHBondContact OE1-CA 3.47Å; E463-F518 VanDerWaalsContact OE1-CB 3.23Å; E463-F518 WeakPolarHBondContact OE1-CB 3.18Å; E463-F518 PolarHBondContact OE1-N 3.39Å; E463-I519 HydrophobicContact CB-CB 4.45Å; E463-I519 HydrophobicContact CB-CD1 4.27Å; E463-I519 HydrophobicContact CG-CB 3.87Å; E463-I519 HydrophobicContact CG-CD1 4.46Å |
| 464 | E | 98 | Very high | 98.2 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 5% | 0.047 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 174.7 | -176.2 | 68.9 | -134.4 | 0 | 0 | 110.6 | R232 Y460 M461 Q468 M486 | R232-E464 IonicContact CZ-OE1 3.26Å; R232-E464 IonicContact CZ-OE2 3.41Å; R232-E464 IonicContact NE-OE1 3.62Å; R232-E464 IonicContact NE-OE2 3.43Å; R232-E464 PolarHBondContact NE-OE2 2.89Å; R232-E464 IonicContact NH2-OE1 2.71Å; R232-E464 PolarHBondContact NH2-OE1 3.14Å; R232-E464 IonicContact NH2-OE2 3.21Å; R232-E464 PolarHBondContact NH2-OE2 2.98Å; Y460-E464 HydrophobicContact CE2-CB 4.1Å; Y460-E464 HydrophobicContact CE2-CG 4.45Å; Y460-E464 WeakPolarHBondContact O-CB 3.44Å; Y460-E464 PolarHBondContact O-N 3.19Å; Y460-E464 PolarHBondContact OH-OE2 3.31Å; M461-E464 PolarHBondContact O-N 2.82Å; E464-Q468 VanDerWaalsContact O-CG 3.32Å; E464-Q468 WeakPolarHBondContact O-CG 3.31Å; E464-Q468 PolarHBondContact O-N 3.14Å; E464-Q468 VanDerWaalsContact O-N 3.13Å; E464-Q468 PolarHBondContact OE1-NE2 3.12Å; E464-M486 HydrophobicContact CB-CE 3.87Å; E464-M486 HydrophobicContact CG-CE 3.68Å |
| 465 | W | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 173.9 | -178.9 | 91.2 | 0 | 0 | 0 | 111.6 | Y184 M461 L462 E463 W467 Q468 V469 I474 W479 W483 M486 P506 | Y184-W465 HydrophobicContact CE1-CH2 4.23Å; Y184-W465 HydrophobicContact CE1-CZ3 4.15Å; M461-W465 WeakPolarHBondContact O-CB 3.25Å; M461-W465 PolarHBondContact O-N 2.91Å; L462-W465 PolarHBondContact O-N 3.18Å; E463-W465 PolarHBondContact O-N 3.36Å; W465-W467 PolarHBondContact O-N 3.18Å; W465-Q468 PolarHBondContact O-N 3.28Å; W465-V469 HydrophobicContact CD2-CG2 3.82Å; W465-V469 HydrophobicContact CE3-CG2 4Å; W465-V469 HydrophobicContact CH2-CG2 3.76Å; W465-V469 HydrophobicContact CZ2-CG2 3.57Å; W465-V469 HydrophobicContact CZ3-CG2 3.97Å; W465-V469 WeakPolarHBondContact O-CG2 3.33Å; W465-V469 PolarHBondContact O-N 3.36Å; W465-I474 HydrophobicContact CG-CD1 4.48Å; W465-W479 HydrophobicContact CH2-CD2 4.46Å; W465-W479 HydrophobicContact CZ2-CB 4Å; W465-W479 HydrophobicContact CZ2-CD2 4.31Å; W465-W479 HydrophobicContact CZ2-CG 4.01Å; W465-W479 PolarHBondContact NE1-O 2.96Å; W465-W479 VanDerWaalsContact NE1-O 3.13Å; W465-W483 HydrophobicContact CB-CE3 4.15Å; W465-W483 HydrophobicContact CB-CZ3 4.45Å; W465-W483 HydrophobicContact CD2-CE3 4.04Å; W465-W483 AromaticContact CG-CE3 3.83Å; W465-W483 HydrophobicContact CG-CE3 3.83Å; W465-W483 HydrophobicContact CG-CZ3 4.48Å; W465-M486 HydrophobicContact CB-CE 3.93Å; W465-M486 HydrophobicContact CB-SD 4.08Å; W465-M486 HydrophobicContact CG-SD 4.46Å; W465-P506 HydrophobicContact CD2-CG 4.44Å; W465-P506 HydrophobicContact CE3-CB 4.34Å; W465-P506 HydrophobicContact CE3-CG 4.21Å; W465-P506 HydrophobicContact CH2-CB 4.21Å; W465-P506 HydrophobicContact CH2-CG 3.84Å; W465-P506 HydrophobicContact CZ2-CG 4.05Å; W465-P506 HydrophobicContact CZ3-CB 3.91Å; W465-P506 HydrophobicContact CZ3-CG 3.91Å |
| 466 | R | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 179 | -73.1 | 174 | 85.5 | -172.4 | 21.8 | 112 | L462 E463 Q468 V469 F470 Y516 | L462-R466 HydrophobicContact CD2-CG 4.38Å; L462-R466 WeakPolarHBondContact O-CG 3.47Å; L462-R466 PolarHBondContact O-N 3.48Å; L462-R466 VanDerWaalsContact O-N 3.08Å; E463-R466 PolarHBondContact O-N 2.74Å; E463-R466 VanDerWaalsContact O-N 3.13Å; E463-R466 IonicContact OE1-CZ 3.41Å; E463-R466 IonicContact OE1-NH1 3.53Å; E463-R466 PolarHBondContact OE1-NH1 3.25Å; R466-Q468 VanDerWaalsContact C-N 3.29Å; R466-Q468 PolarHBondContact O-N 3.18Å; R466-V469 PolarHBondContact O-N 3.16Å; R466-F470 HydrophobicContact CB-CD2 4.26Å; R466-F470 HydrophobicContact CB-CE2 3.86Å; R466-F470 WeakPolarHBondContact O-CD2 3.36Å; R466-F470 WeakPolarHBondContact O-CG 3.3Å; R466-F470 PolarHBondContact O-N 3.25Å; R466-Y516 PolarHBondContact NH1-O 3.13Å; R466-Y516 PolarHBondContact NH2-O 3.36Å |
| 467 | W | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -42 | 175.8 | -67.4 | -13.1 | 0 | 0 | 0 | 111.6 | R208 M228 E463 W465 A471 I519 | R208-W467 HydrophobicContact CG-CZ2 3.98Å; R208-W467 VanDerWaalsContact NH1-CD1 3.32Å; R208-W467 VanDerWaalsContact NH1-CG 3.31Å; M228-W467 HydrophobicContact CB-CZ3 4.23Å; M228-W467 HydrophobicContact CE-CE3 3.92Å; M228-W467 HydrophobicContact CE-CZ3 4.49Å; M228-W467 HydrophobicContact CG-CE3 3.97Å; M228-W467 HydrophobicContact CG-CH2 4.23Å; M228-W467 HydrophobicContact CG-CZ3 3.75Å; M228-W467 HydrophobicContact SD-CE3 4.43Å; E463-W467 HydrophobicContact CB-CZ2 4.34Å; E463-W467 WeakPolarHBondContact O-CB 3.46Å; E463-W467 VanDerWaalsContact O-CG 3.28Å; E463-W467 PolarHBondContact O-N 3.44Å; E463-W467 PolarHBondContact OE2-NE1 2.93Å; W465-W467 PolarHBondContact O-N 3.18Å; W467-A471 WeakPolarHBondContact O-CB 3.12Å; W467-A471 PolarHBondContact O-N 2.89Å; W467-I519 HydrophobicContact CH2-CD1 3.95Å; W467-I519 HydrophobicContact CH2-CG1 4.01Å; W467-I519 HydrophobicContact CZ2-CB 4.09Å; W467-I519 HydrophobicContact CZ2-CD1 4.24Å; W467-I519 HydrophobicContact CZ2-CG1 3.96Å; W467-I519 HydrophobicContact CZ2-CG2 4.35Å |
| 468 | Q | 98.5 | Very high | 97.8 | Very high | 38 Ų | 38 | 29 Ų | 29 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.9 | -35.9 | 177 | -71.1 | -178.2 | 47.8 | 0 | 0 | 113.1 | E464 W465 R466 G472 N473 I474 | E464-Q468 VanDerWaalsContact O-CG 3.32Å; E464-Q468 WeakPolarHBondContact O-CG 3.31Å; E464-Q468 PolarHBondContact O-N 3.14Å; E464-Q468 VanDerWaalsContact O-N 3.13Å; E464-Q468 PolarHBondContact OE1-NE2 3.12Å; W465-Q468 PolarHBondContact O-N 3.28Å; R466-Q468 VanDerWaalsContact C-N 3.29Å; R466-Q468 PolarHBondContact O-N 3.18Å; Q468-G472 PolarHBondContact O-N 2.82Å; Q468-G472 VanDerWaalsContact O-N 3.16Å; Q468-N473 HydrophobicContact CB-CB 4.17Å; Q468-N473 HydrophobicContact CG-CB 4.46Å; Q468-N473 PolarHBondContact O-N 2.67Å; Q468-I474 HydrophobicContact CB-CD1 3.61Å; Q468-I474 HydrophobicContact CB-CG1 3.89Å; Q468-I474 PolarHBondContact O-N 3.3Å |
| 469 | V | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -48.2 | 173.7 | 167 | 0 | 0 | 0 | 0 | 111.2 | V188 W465 R466 A471 G472 I474 W479 | V188-V469 HydrophobicContact CG1-CG1 4.11Å; V188-V469 HydrophobicContact CG2-CG1 3.94Å; W465-V469 HydrophobicContact CD2-CG2 3.82Å; W465-V469 HydrophobicContact CE3-CG2 4Å; W465-V469 HydrophobicContact CH2-CG2 3.76Å; W465-V469 HydrophobicContact CZ2-CG2 3.57Å; W465-V469 HydrophobicContact CZ3-CG2 3.97Å; W465-V469 WeakPolarHBondContact O-CG2 3.33Å; W465-V469 PolarHBondContact O-N 3.36Å; R466-V469 PolarHBondContact O-N 3.16Å; V469-A471 VanDerWaalsContact C-N 3.35Å; V469-A471 PolarHBondContact O-N 3.29Å; V469-G472 PolarHBondContact O-N 3.19Å; V469-I474 HydrophobicContact CG2-CB 4.26Å; V469-I474 HydrophobicContact CG2-CD1 4.3Å; V469-W479 HydrophobicContact CG1-CH2 4.46Å; V469-W479 HydrophobicContact CG1-CZ2 3.59Å |
| 470 | F | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.3 | -65.4 | -50.5 | 0 | 0 | 0 | 112.1 | Y187 V188 N192 D202 Y203 W207 R466 G472 | Y187-F470 HydrophobicContact CE1-CE1 4.07Å; Y187-F470 HydrophobicContact CE1-CZ 4.1Å; V188-F470 HydrophobicContact CB-CE1 4.47Å; V188-F470 HydrophobicContact CG1-CD1 4.12Å; V188-F470 HydrophobicContact CG1-CE1 4.47Å; V188-F470 HydrophobicContact CG2-CD1 4.29Å; V188-F470 HydrophobicContact CG2-CE1 3.87Å; N192-F470 PolarHBondContact ND2-O 2.77Å; N192-F470 PolarHBondContact OD1-O 2.89Å; D202-F470 HydrophobicContact CB-CB 4.21Å; D202-F470 WeakPolarHBondContact CB-O 3.25Å; Y203-F470 HydrophobicContact CD1-CD1 4.3Å; Y203-F470 AromaticContact CD1-CE1 3.8Å; Y203-F470 HydrophobicContact CD1-CE1 3.8Å; Y203-F470 HydrophobicContact CD1-CE2 4.15Å; Y203-F470 AromaticContact CD1-CZ 3.73Å; Y203-F470 HydrophobicContact CD1-CZ 3.73Å; Y203-F470 HydrophobicContact CE1-CZ 4.48Å; W207-F470 HydrophobicContact CE3-CE2 4.23Å; W207-F470 AromaticContact CH2-CE2 3.56Å; W207-F470 HydrophobicContact CH2-CE2 3.56Å; W207-F470 AromaticContact CH2-CZ 3.71Å; W207-F470 HydrophobicContact CH2-CZ 3.71Å; W207-F470 HydrophobicContact CZ3-CD2 4.35Å; W207-F470 AromaticContact CZ3-CE2 3.4Å; W207-F470 HydrophobicContact CZ3-CE2 3.4Å; W207-F470 HydrophobicContact CZ3-CZ 4.05Å; R466-F470 HydrophobicContact CB-CD2 4.26Å; R466-F470 HydrophobicContact CB-CE2 3.86Å; R466-F470 WeakPolarHBondContact O-CD2 3.36Å; R466-F470 WeakPolarHBondContact O-CG 3.3Å; R466-F470 PolarHBondContact O-N 3.25Å; F470-G472 PolarHBondContact O-N 3.42Å |
| 471 | A | 97.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.7 | -14.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | W467 V469 N473 | W467-A471 WeakPolarHBondContact O-CB 3.12Å; W467-A471 PolarHBondContact O-N 2.89Å; V469-A471 VanDerWaalsContact C-N 3.35Å; V469-A471 PolarHBondContact O-N 3.29Å; A471-N473 VanDerWaalsContact C-N 3.33Å |
| 472 | G | 97.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 57% | 0.567 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 15.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q468 V469 F470 I474 | Q468-G472 PolarHBondContact O-N 2.82Å; Q468-G472 VanDerWaalsContact O-N 3.16Å; V469-G472 PolarHBondContact O-N 3.19Å; F470-G472 PolarHBondContact O-N 3.42Å; G472-I474 VanDerWaalsContact C-N 3.28Å |
| 473 | N | 98 | Very high | 97.6 | Very high | 121 Ų | 121 | 37.1 Ų | 37.1 | 65% | 0.647 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -73.7 | -21.1 | 175.6 | -69.9 | -21.6 | 0 | 0 | 0 | 112.6 | Q468 A471 | Q468-N473 HydrophobicContact CB-CB 4.17Å; Q468-N473 HydrophobicContact CG-CB 4.46Å; Q468-N473 PolarHBondContact O-N 2.67Å; A471-N473 VanDerWaalsContact C-N 3.33Å |
| 474 | I | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -114.5 | 116.6 | 171.7 | -58.1 | 168.7 | 0 | 0 | 0 | 107.3 | W465 Q468 V469 G472 E478 R482 M486 | W465-I474 HydrophobicContact CG-CD1 4.48Å; Q468-I474 HydrophobicContact CB-CD1 3.61Å; Q468-I474 HydrophobicContact CB-CG1 3.89Å; Q468-I474 PolarHBondContact O-N 3.3Å; V469-I474 HydrophobicContact CG2-CB 4.26Å; V469-I474 HydrophobicContact CG2-CD1 4.3Å; G472-I474 VanDerWaalsContact C-N 3.28Å; I474-E478 HydrophobicContact CG2-CB 4.34Å; I474-R482 HydrophobicContact CD1-CB 3.92Å; I474-R482 HydrophobicContact CD1-CG 4.47Å; I474-R482 HydrophobicContact CG1-CB 4.24Å; I474-R482 HydrophobicContact CG1-CG 4.25Å; I474-R482 HydrophobicContact CG2-CB 3.94Å; I474-R482 HydrophobicContact CG2-CG 3.82Å; I474-M486 HydrophobicContact CD1-SD 4.48Å |
| 475 | S | 96.9 | Very high | 97.6 | Very high | 50 Ų | 50 | 40 Ų | 40 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | trans | -70.8 | 154.5 | 176.2 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | D477 E478 W479 | S475-D477 WeakPolarHBondContact CB-OD1 3.25Å; S475-D477 PolarHBondContact O-N 3.22Å; S475-D477 PolarHBondContact OG-OD1 3.43Å; S475-E478 PolarHBondContact O-N 3.21Å; S475-W479 PolarHBondContact O-N 2.94Å | ||
| 476 | K | 96.4 | Very high | 97.5 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -54.7 | -39.4 | -177.7 | -68.3 | -178.9 | 176.9 | -175.7 | 0 | 111.7 | R181 E185 D189 E478 W479 | R181-K476 PolarHBondContact NH2-O 3.13Å; E185-K476 HydrophobicContact CB-CD 4.25Å; E185-K476 HydrophobicContact CG-CD 3.88Å; E185-K476 HydrophobicContact CG-CG 4.36Å; D189-K476 WeakPolarHBondContact OD1-CE 3.44Å; D189-K476 IonicContact OD1-NZ 2.84Å; D189-K476 PolarHBondContact OD1-NZ 3.43Å; D189-K476 VanDerWaalsContact OD1-NZ 3.13Å; D189-K476 IonicContact OD2-NZ 3.13Å; D189-K476 PolarHBondContact OD2-NZ 3.26Å; K476-E478 PolarHBondContact O-N 3.4Å; K476-E478 VanDerWaalsContact O-N 3.17Å; K476-W479 HydrophobicContact CG-CZ2 3.91Å; K476-W479 PolarHBondContact O-N 3.32Å |
| 477 | D | 94.3 | Very high | 97.5 | Very high | 116 Ų | 116 | 40.6 Ų | 40.6 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -72 | 0.5 | 177.6 | 63 | -53.1 | 0 | 0 | 0 | 115.4 | S475 E501 | S475-D477 WeakPolarHBondContact CB-OD1 3.25Å; S475-D477 PolarHBondContact O-N 3.22Å; S475-D477 PolarHBondContact OG-OD1 3.43Å; D477-E501 VanDerWaalsContact O-CG 3.3Å; D477-E501 WeakPolarHBondContact O-CG 3.36Å |
| 478 | E | 95.7 | Very high | 97.5 | Very high | 65 Ų | 65 | 41.3 Ų | 41.3 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -125.8 | 10.9 | 174.7 | -62.2 | -160.8 | 119.1 | 0 | 0 | 113.4 | I474 S475 K476 M480 K481 R482 | I474-E478 HydrophobicContact CG2-CB 4.34Å; S475-E478 PolarHBondContact O-N 3.21Å; K476-E478 PolarHBondContact O-N 3.4Å; K476-E478 VanDerWaalsContact O-N 3.17Å; E478-M480 PolarHBondContact O-N 3.48Å; E478-K481 PolarHBondContact O-N 3.37Å; E478-K481 IonicContact OE1-NZ 2.89Å; E478-K481 PolarHBondContact OE1-NZ 3.23Å; E478-R482 HydrophobicContact CB-CG 4.15Å; E478-R482 WeakPolarHBondContact O-CB 3.39Å; E478-R482 WeakPolarHBondContact O-CG 3.43Å; E478-R482 PolarHBondContact O-N 3.47Å |
| 479 | W | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.3 | -54.2 | -177.3 | -84.9 | 10.5 | 0 | 0 | 0 | 112.9 | Y184 E185 V188 W465 V469 S475 K476 W483 E501 | Y184-W479 AromaticContact CD1-CH2 3.87Å; Y184-W479 HydrophobicContact CD1-CH2 3.87Å; Y184-W479 AromaticContact CD1-CZ3 3.75Å; Y184-W479 HydrophobicContact CD1-CZ3 3.75Å; E185-W479 HydrophobicContact CB-CH2 4.26Å; E185-W479 HydrophobicContact CB-CZ3 4.48Å; E185-W479 HydrophobicContact CG-CE3 4.32Å; E185-W479 HydrophobicContact CG-CH2 3.61Å; E185-W479 HydrophobicContact CG-CZ2 4.43Å; E185-W479 HydrophobicContact CG-CZ3 3.52Å; V188-W479 HydrophobicContact CB-CH2 4.38Å; V188-W479 HydrophobicContact CB-CZ2 4.45Å; V188-W479 HydrophobicContact CG1-CZ2 4.5Å; V188-W479 HydrophobicContact CG2-CH2 3.9Å; V188-W479 HydrophobicContact CG2-CZ2 4.1Å; W465-W479 HydrophobicContact CH2-CD2 4.46Å; W465-W479 HydrophobicContact CZ2-CB 4Å; W465-W479 HydrophobicContact CZ2-CD2 4.31Å; W465-W479 HydrophobicContact CZ2-CG 4.01Å; W465-W479 PolarHBondContact NE1-O 2.96Å; W465-W479 VanDerWaalsContact NE1-O 3.13Å; V469-W479 HydrophobicContact CG1-CH2 4.46Å; V469-W479 HydrophobicContact CG1-CZ2 3.59Å; S475-W479 PolarHBondContact O-N 2.94Å; K476-W479 HydrophobicContact CG-CZ2 3.91Å; K476-W479 PolarHBondContact O-N 3.32Å; W479-W483 VanDerWaalsContact O-CB 3.26Å; W479-W483 WeakPolarHBondContact O-CB 3.41Å; W479-W483 PolarHBondContact O-N 2.94Å; W479-E501 PolarHBondContact N-OE1 2.87Å; W479-E501 PolarHBondContact N-OE2 3.13Å |
| 480 | M | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.8 | -35.8 | -176.9 | -70.9 | -50 | -51.3 | 0 | 0 | 112.4 | E478 W483 W484 E501 Y503 D505 | E478-M480 PolarHBondContact O-N 3.48Å; M480-W483 HydrophobicContact CE-CG 4.39Å; M480-W484 PolarHBondContact O-N 3.09Å; M480-W484 VanDerWaalsContact O-N 3.1Å; M480-E501 WeakPolarHBondContact CB-OE1 3.39Å; M480-E501 PolarHBondContact N-OE1 3.15Å; M480-E501 PolarHBondContact N-OE2 3.37Å; M480-Y503 WeakPolarHBondContact CG-O 3.35Å; M480-D505 HydrophobicContact CE-CB 3.61Å; M480-D505 WeakPolarHBondContact CE-OD2 3.35Å; M480-D505 HydrophobicContact SD-CB 4.37Å; M480-D505 PolarHBondContact SD-N 3.09Å |
| 481 | K | 95.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 45.9 Ų | 45.9 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.9 | -56 | 172.1 | 177.8 | -176.7 | 167.3 | -162.9 | 0 | 111.4 | E478 W483 W484 E485 E501 | E478-K481 PolarHBondContact O-N 3.37Å; E478-K481 IonicContact OE1-NZ 2.89Å; E478-K481 PolarHBondContact OE1-NZ 3.23Å; K481-W483 VanDerWaalsContact C-N 3.34Å; K481-W483 PolarHBondContact O-N 3.27Å; K481-W484 PolarHBondContact O-N 3.46Å; K481-E485 VanDerWaalsContact CE-OE1 3.26Å; K481-E485 WeakPolarHBondContact CE-OE1 3.47Å; K481-E485 WeakPolarHBondContact O-CG 3.49Å; K481-E485 PolarHBondContact O-N 2.68Å; K481-E501 PolarHBondContact N-OE1 2.89Å |
| 482 | R | 97.9 | Very high | 97.6 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 30% | 0.302 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.2 | -35.3 | -178.2 | -64 | -63.5 | -75.9 | 152.8 | -2.7 | 112 | I474 E478 W484 E485 M486 | I474-R482 HydrophobicContact CD1-CB 3.92Å; I474-R482 HydrophobicContact CD1-CG 4.47Å; I474-R482 HydrophobicContact CG1-CB 4.24Å; I474-R482 HydrophobicContact CG1-CG 4.25Å; I474-R482 HydrophobicContact CG2-CB 3.94Å; I474-R482 HydrophobicContact CG2-CG 3.82Å; E478-R482 HydrophobicContact CB-CG 4.15Å; E478-R482 WeakPolarHBondContact O-CB 3.39Å; E478-R482 WeakPolarHBondContact O-CG 3.43Å; E478-R482 PolarHBondContact O-N 3.47Å; R482-W484 PolarHBondContact O-N 2.97Å; R482-E485 VanDerWaalsContact CD-OE2 3.26Å; R482-E485 WeakPolarHBondContact CD-OE2 3.39Å; R482-E485 IonicContact CZ-OE2 2.77Å; R482-E485 IonicContact NE-OE2 2.92Å; R482-E485 IonicContact NH1-OE2 3.55Å; R482-E485 PolarHBondContact NH1-OE2 2.97Å; R482-E485 PolarHBondContact O-N 2.97Å; R482-M486 WeakPolarHBondContact O-CB 3.42Å; R482-M486 WeakPolarHBondContact O-CG 3.39Å; R482-M486 PolarHBondContact O-N 3.24Å |
| 483 | W | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.6 | -49.7 | 173 | 169.7 | -102.3 | 0 | 0 | 0 | 112.3 | M461 L462 W465 W479 M480 K481 M486 K487 P506 | M461-W483 HydrophobicContact CE-CE3 4.22Å; M461-W483 HydrophobicContact CE-CH2 3.69Å; M461-W483 HydrophobicContact CE-CZ2 4.19Å; M461-W483 HydrophobicContact CE-CZ3 3.7Å; M461-W483 HydrophobicContact SD-CE3 3.9Å; M461-W483 HydrophobicContact SD-CH2 4.42Å; M461-W483 HydrophobicContact SD-CZ3 3.84Å; L462-W483 HydrophobicContact CB-CH2 4.41Å; L462-W483 HydrophobicContact CB-CZ3 4.32Å; L462-W483 HydrophobicContact CD1-CH2 4.32Å; L462-W483 HydrophobicContact CG-CH2 4.26Å; L462-W483 HydrophobicContact CG-CZ3 4.25Å; W465-W483 HydrophobicContact CB-CE3 4.15Å; W465-W483 HydrophobicContact CB-CZ3 4.45Å; W465-W483 HydrophobicContact CD2-CE3 4.04Å; W465-W483 AromaticContact CG-CE3 3.83Å; W465-W483 HydrophobicContact CG-CE3 3.83Å; W465-W483 HydrophobicContact CG-CZ3 4.48Å; W479-W483 VanDerWaalsContact O-CB 3.26Å; W479-W483 WeakPolarHBondContact O-CB 3.41Å; W479-W483 PolarHBondContact O-N 2.94Å; M480-W483 HydrophobicContact CE-CG 4.39Å; K481-W483 VanDerWaalsContact C-N 3.34Å; K481-W483 PolarHBondContact O-N 3.27Å; W483-M486 PolarHBondContact O-N 3.02Å; W483-K487 HydrophobicContact CD2-CG 4.4Å; W483-K487 HydrophobicContact CZ2-CD 4.43Å; W483-K487 HydrophobicContact CZ2-CG 4.31Å; W483-K487 WeakPolarHBondContact O-CB 3Å; W483-K487 WeakPolarHBondContact O-CG 3.37Å; W483-K487 PolarHBondContact O-N 2.87Å; W483-P506 HydrophobicContact CD2-CG 3.68Å; W483-P506 HydrophobicContact CE3-CB 4.44Å; W483-P506 HydrophobicContact CE3-CG 3.63Å; W483-P506 HydrophobicContact CG-CG 4.18Å; W483-P506 HydrophobicContact CH2-CB 4.35Å; W483-P506 HydrophobicContact CH2-CG 4.18Å; W483-P506 HydrophobicContact CZ2-CG 4.25Å; W483-P506 HydrophobicContact CZ3-CB 4.21Å; W483-P506 HydrophobicContact CZ3-CG 3.87Å |
| 484 | W | 97.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 3% | 0.034 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.4 | -32.1 | -177.3 | -77.7 | 112.9 | 0 | 0 | 0 | 113.5 | W169 A269 M480 K481 R482 K487 R488 E495 R499 D505 | W169-W484 HydrophobicContact CH2-CH2 4.04Å; W169-W484 AromaticContact CH2-CZ2 3.81Å; W169-W484 HydrophobicContact CH2-CZ2 3.81Å; W169-W484 AromaticContact CZ2-CH2 3.74Å; W169-W484 HydrophobicContact CZ2-CH2 3.74Å; W169-W484 AromaticContact CZ2-CZ2 3.82Å; W169-W484 HydrophobicContact CZ2-CZ2 3.82Å; A269-W484 HydrophobicContact CB-CH2 3.89Å; A269-W484 HydrophobicContact CB-CZ3 4.25Å; M480-W484 PolarHBondContact O-N 3.09Å; M480-W484 VanDerWaalsContact O-N 3.1Å; K481-W484 PolarHBondContact O-N 3.46Å; R482-W484 PolarHBondContact O-N 2.97Å; W484-K487 HydrophobicContact CE3-CB 3.65Å; W484-K487 HydrophobicContact CE3-CG 3.87Å; W484-K487 HydrophobicContact CZ3-CB 4Å; W484-K487 HydrophobicContact CZ3-CD 4.31Å; W484-K487 HydrophobicContact CZ3-CG 3.95Å; W484-K487 PolarHBondContact O-N 3.22Å; W484-R488 WeakPolarHBondContact O-CB 3.49Å; W484-R488 WeakPolarHBondContact O-CD 3.12Å; W484-R488 WeakPolarHBondContact O-CG 3.24Å; W484-R488 PolarHBondContact O-N 3.09Å; W484-E495 HydrophobicContact CD2-CB 3.62Å; W484-E495 HydrophobicContact CD2-CG 4.06Å; W484-E495 HydrophobicContact CE3-CB 3.68Å; W484-E495 HydrophobicContact CE3-CG 4.31Å; W484-E495 HydrophobicContact CG-CB 4.28Å; W484-E495 HydrophobicContact CG-CG 4.23Å; W484-E495 HydrophobicContact CH2-CB 3.8Å; W484-E495 HydrophobicContact CZ2-CB 3.73Å; W484-E495 HydrophobicContact CZ3-CB 3.78Å; W484-E495 VanDerWaalsContact CZ3-N 3.32Å; W484-R499 VanDerWaalsContact NE1-CG 3.33Å; W484-D505 VanDerWaalsContact CZ2-OD2 3.23Å; W484-D505 WeakPolarHBondContact CZ2-OD2 3.37Å; W484-D505 PolarHBondContact NE1-OD2 3.46Å |
| 485 | E | 97.6 | Very high | 97.5 | Very high | 61 Ų | 61 | 35.9 Ų | 35.9 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.7 | -49.3 | 167.3 | -73.1 | 173.8 | -178.6 | 0 | 0 | 110.8 | K481 R482 R488 E489 | K481-E485 VanDerWaalsContact CE-OE1 3.26Å; K481-E485 WeakPolarHBondContact CE-OE1 3.47Å; K481-E485 WeakPolarHBondContact O-CG 3.49Å; K481-E485 PolarHBondContact O-N 2.68Å; R482-E485 VanDerWaalsContact CD-OE2 3.26Å; R482-E485 WeakPolarHBondContact CD-OE2 3.39Å; R482-E485 IonicContact CZ-OE2 2.77Å; R482-E485 IonicContact NE-OE2 2.92Å; R482-E485 IonicContact NH1-OE2 3.55Å; R482-E485 PolarHBondContact NH1-OE2 2.97Å; R482-E485 PolarHBondContact O-N 2.97Å; E485-R488 PolarHBondContact O-N 3.04Å; E485-E489 WeakPolarHBondContact O-CB 3.35Å; E485-E489 VanDerWaalsContact O-CG 3.3Å; E485-E489 WeakPolarHBondContact O-CG 3.5Å; E485-E489 PolarHBondContact O-N 3.05Å |
| 486 | M | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 178.3 | -69.3 | 174.6 | 67.1 | 0 | 0 | 112.7 | M461 E464 W465 I474 R482 W483 R488 E489 L490 | M461-M486 HydrophobicContact CG-CB 3.77Å; M461-M486 HydrophobicContact CG-CE 4.39Å; M461-M486 HydrophobicContact SD-CB 3.89Å; E464-M486 HydrophobicContact CB-CE 3.87Å; E464-M486 HydrophobicContact CG-CE 3.68Å; W465-M486 HydrophobicContact CB-CE 3.93Å; W465-M486 HydrophobicContact CB-SD 4.08Å; W465-M486 HydrophobicContact CG-SD 4.46Å; I474-M486 HydrophobicContact CD1-SD 4.48Å; R482-M486 WeakPolarHBondContact O-CB 3.42Å; R482-M486 WeakPolarHBondContact O-CG 3.39Å; R482-M486 PolarHBondContact O-N 3.24Å; W483-M486 PolarHBondContact O-N 3.02Å; M486-R488 VanDerWaalsContact C-N 3.34Å; M486-R488 PolarHBondContact O-N 3.42Å; M486-E489 PolarHBondContact O-N 3Å; M486-L490 HydrophobicContact CB-CD1 4.41Å; M486-L490 HydrophobicContact CE-CD1 4.21Å; M486-L490 VanDerWaalsContact O-CB 3.27Å; M486-L490 WeakPolarHBondContact O-CB 3.31Å; M486-L490 PolarHBondContact O-N 3.27Å |
| 487 | K | 98.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -57.5 | -46 | 172.6 | -86.6 | -80 | -172.7 | -167.1 | 0 | 111.9 | M461 W483 W484 V491 G492 V493 | M461-K487 HydrophobicContact CE-CD 3.46Å; M461-K487 VanDerWaalsContact CE-CD 3.46Å; M461-K487 HydrophobicContact CE-CG 3.67Å; M461-K487 HydrophobicContact SD-CG 4.14Å; W483-K487 HydrophobicContact CD2-CG 4.4Å; W483-K487 HydrophobicContact CZ2-CD 4.43Å; W483-K487 HydrophobicContact CZ2-CG 4.31Å; W483-K487 WeakPolarHBondContact O-CB 3Å; W483-K487 WeakPolarHBondContact O-CG 3.37Å; W483-K487 PolarHBondContact O-N 2.87Å; W484-K487 HydrophobicContact CE3-CB 3.65Å; W484-K487 HydrophobicContact CE3-CG 3.87Å; W484-K487 HydrophobicContact CZ3-CB 4Å; W484-K487 HydrophobicContact CZ3-CD 4.31Å; W484-K487 HydrophobicContact CZ3-CG 3.95Å; W484-K487 PolarHBondContact O-N 3.22Å; K487-V491 HydrophobicContact CD-CG2 4.2Å; K487-V491 CarbonylContact O-C 3.47Å; K487-V491 WeakPolarHBondContact O-CA 3.32Å; K487-V491 VanDerWaalsContact O-CB 3.29Å; K487-V491 WeakPolarHBondContact O-CB 3.38Å; K487-V491 PolarHBondContact O-N 2.97Å; K487-G492 PolarHBondContact O-N 3.47Å; K487-V493 CarbonylContact C-O 3.32Å; K487-V493 PolarHBondContact O-N 3.11Å |
| 488 | R | 98.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 26 Ų | 26 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -67.7 | -44 | 178.8 | -70.4 | 163.3 | 175.7 | -102 | 12.6 | 111.2 | W484 E485 M486 G492 V493 V494 E495 W614 T616 V618 Y621 | W484-R488 WeakPolarHBondContact O-CB 3.49Å; W484-R488 WeakPolarHBondContact O-CD 3.12Å; W484-R488 WeakPolarHBondContact O-CG 3.24Å; W484-R488 PolarHBondContact O-N 3.09Å; E485-R488 PolarHBondContact O-N 3.04Å; M486-R488 VanDerWaalsContact C-N 3.34Å; M486-R488 PolarHBondContact O-N 3.42Å; R488-G492 WeakPolarHBondContact O-CA 3.29Å; R488-G492 PolarHBondContact O-N 3.26Å; R488-V493 WeakPolarHBondContact CA-O 3.29Å; R488-V493 WeakPolarHBondContact CG-O 3.27Å; R488-V493 PolarHBondContact N-O 3.27Å; R488-V494 HydrophobicContact CG-CB 4.43Å; R488-E495 IonicContact CZ-OE1 3.46Å; R488-E495 IonicContact CZ-OE2 2.64Å; R488-E495 IonicContact NE-OE1 3.83Å; R488-E495 PolarHBondContact NE-OE1 2.99Å; R488-E495 IonicContact NE-OE2 3.67Å; R488-E495 PolarHBondContact NE-OE2 3.23Å; R488-E495 IonicContact NH2-OE1 2.66Å; R488-E495 PolarHBondContact NH2-OE1 2.67Å; R488-E495 IonicContact NH2-OE2 3.76Å; R488-E495 PolarHBondContact NH2-OE2 2.8Å; R488-W614 VanDerWaalsContact O-CD1 3.31Å; R488-W614 PolarHBondContact O-NE1 3.46Å; R488-T616 HydrophobicContact CB-CG2 4.39Å; R488-T616 PolarHBondContact NH1-O 3.2Å; R488-V618 PolarHBondContact NH1-O 2.93Å; R488-Y621 PolarHBondContact NH2-OH 3.15Å |
| 489 | E | 98.3 | Very high | 96.5 | Very high | 106 Ų | 106 | 24 Ų | 24 | 50% | 0.495 | 11% | 0.107 | S | C | . | . | I | π-helix | trans | -73.2 | -48.5 | -176.1 | -74.1 | 175.6 | -177.2 | 0 | 0 | 113.3 | E485 M486 T616 | E485-E489 WeakPolarHBondContact O-CB 3.35Å; E485-E489 VanDerWaalsContact O-CG 3.3Å; E485-E489 WeakPolarHBondContact O-CG 3.5Å; E485-E489 PolarHBondContact O-N 3.05Å; M486-E489 PolarHBondContact O-N 3Å; E489-T616 HydrophobicContact CG-CG2 3.96Å |
| 490 | L | 98.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 26.4 Ų | 26.4 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -91.5 | -42 | -170.7 | -57.6 | 177.9 | 0 | 0 | 0 | 111.7 | Y235 Y460 M461 M486 | Y235-L490 HydrophobicContact CE1-CD2 4.02Å; Y235-L490 WeakPolarHBondContact OH-CA 3.29Å; Y235-L490 WeakPolarHBondContact OH-CB 3.25Å; Y235-L490 PolarHBondContact OH-O 2.79Å; Y460-L490 HydrophobicContact CD1-CD1 4.39Å; Y460-L490 HydrophobicContact CE1-CD1 3.9Å; Y460-L490 HydrophobicContact CE1-CD2 4.37Å; M461-L490 HydrophobicContact CB-CB 4.08Å; M461-L490 HydrophobicContact CB-CD1 4.03Å; M461-L490 HydrophobicContact CG-CB 4.07Å; M461-L490 HydrophobicContact CG-CD1 3.86Å; M461-L490 HydrophobicContact CG-CG 4.47Å; M486-L490 HydrophobicContact CB-CD1 4.41Å; M486-L490 HydrophobicContact CE-CD1 4.21Å; M486-L490 VanDerWaalsContact O-CB 3.27Å; M486-L490 WeakPolarHBondContact O-CB 3.31Å; M486-L490 PolarHBondContact O-N 3.27Å |
| 491 | V | 98.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -94.8 | -24.7 | -176.5 | -161.8 | 0 | 0 | 0 | 0 | 111.8 | Y242 P457 M461 K487 V493 | Y242-V491 WeakPolarHBondContact CE1-O 3.48Å; Y242-V491 PolarHBondContact OH-O 2.99Å; P457-V491 HydrophobicContact CB-CG1 4.32Å; P457-V491 HydrophobicContact CB-CG2 4.42Å; M461-V491 HydrophobicContact CB-CG2 3.81Å; M461-V491 HydrophobicContact CE-CG2 4.07Å; M461-V491 HydrophobicContact CG-CG2 4.04Å; K487-V491 HydrophobicContact CD-CG2 4.2Å; K487-V491 CarbonylContact O-C 3.47Å; K487-V491 WeakPolarHBondContact O-CA 3.32Å; K487-V491 VanDerWaalsContact O-CB 3.29Å; K487-V491 WeakPolarHBondContact O-CB 3.38Å; K487-V491 PolarHBondContact O-N 2.97Å; V491-V493 VanDerWaalsContact C-N 3.33Å; V491-V493 HydrophobicContact CB-CB 4.35Å; V491-V493 HydrophobicContact CB-CG2 4.21Å; V491-V493 HydrophobicContact CG1-CB 4.29Å; V491-V493 HydrophobicContact CG1-CG2 3.69Å |
| 492 | G | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | 70.3 | 35 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | H246 P266 L267 K487 R488 W614 | H246-G492 PolarHBondContact NE2-O 3.48Å; P266-G492 CarbonylContact C-O 3.57Å; P266-G492 WeakPolarHBondContact CA-O 3.49Å; P266-G492 VanDerWaalsContact CB-C 3.42Å; P266-G492 WeakPolarHBondContact CB-O 3.45Å; L267-G492 PolarHBondContact N-O 2.87Å; K487-G492 PolarHBondContact O-N 3.47Å; R488-G492 WeakPolarHBondContact O-CA 3.29Å; R488-G492 PolarHBondContact O-N 3.26Å; G492-W614 VanDerWaalsContact CA-CD2 3.44Å; G492-W614 VanDerWaalsContact CA-CZ2 3.49Å; G492-W614 VanDerWaalsContact CA-NE1 3.28Å | ||
| 493 | V | 98.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.8 | -179.5 | 172.6 | 0 | 0 | 0 | 0 | 109.1 | L267 A269 L272 K487 R488 V491 | L267-V493 CarbonylContact O-C 3.22Å; L267-V493 VanDerWaalsContact O-CA 3.28Å; L267-V493 WeakPolarHBondContact O-CA 3.38Å; L267-V493 WeakPolarHBondContact O-CG1 3.44Å; A269-V493 HydrophobicContact CB-CG1 3.61Å; L272-V493 HydrophobicContact CD1-CB 4.36Å; L272-V493 HydrophobicContact CD1-CG1 3.74Å; L272-V493 HydrophobicContact CD1-CG2 3.61Å; K487-V493 CarbonylContact C-O 3.32Å; K487-V493 PolarHBondContact O-N 3.11Å; R488-V493 WeakPolarHBondContact CA-O 3.29Å; R488-V493 WeakPolarHBondContact CG-O 3.27Å; R488-V493 PolarHBondContact N-O 3.27Å; V491-V493 VanDerWaalsContact C-N 3.33Å; V491-V493 HydrophobicContact CB-CB 4.35Å; V491-V493 HydrophobicContact CB-CG2 4.21Å; V491-V493 HydrophobicContact CG1-CB 4.29Å; V491-V493 HydrophobicContact CG1-CG2 3.69Å |
| 494 | V | 98.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.6 | -176.8 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | P266 L267 A269 R488 D619 P620 | P266-V494 HydrophobicContact CB-CB 3.93Å; P266-V494 HydrophobicContact CB-CG1 3.99Å; P266-V494 HydrophobicContact CG-CB 3.51Å; P266-V494 HydrophobicContact CG-CG1 3.63Å; P266-V494 HydrophobicContact CG-CG2 4.36Å; L267-V494 PolarHBondContact O-N 2.77Å; A269-V494 WeakPolarHBondContact CB-O 3.43Å; A269-V494 PolarHBondContact N-O 3Å; R488-V494 HydrophobicContact CG-CB 4.43Å; V494-D619 HydrophobicContact CG2-CB 3.8Å; V494-P620 HydrophobicContact CG1-CG 4.44Å |
| 495 | E | 95.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | trans | -61.4 | 128.4 | 168.1 | 64.9 | -72.5 | -173.1 | 0 | 0 | 110.5 | W169 W484 R488 V497 R499 Y621 | W169-E495 HydrophobicContact CH2-CB 4.44Å; W484-E495 HydrophobicContact CD2-CB 3.62Å; W484-E495 HydrophobicContact CD2-CG 4.06Å; W484-E495 HydrophobicContact CE3-CB 3.68Å; W484-E495 HydrophobicContact CE3-CG 4.31Å; W484-E495 HydrophobicContact CG-CB 4.28Å; W484-E495 HydrophobicContact CG-CG 4.23Å; W484-E495 HydrophobicContact CH2-CB 3.8Å; W484-E495 HydrophobicContact CZ2-CB 3.73Å; W484-E495 HydrophobicContact CZ3-CB 3.78Å; W484-E495 VanDerWaalsContact CZ3-N 3.32Å; R488-E495 IonicContact CZ-OE1 3.46Å; R488-E495 IonicContact CZ-OE2 2.64Å; R488-E495 IonicContact NE-OE1 3.83Å; R488-E495 PolarHBondContact NE-OE1 2.99Å; R488-E495 IonicContact NE-OE2 3.67Å; R488-E495 PolarHBondContact NE-OE2 3.23Å; R488-E495 IonicContact NH2-OE1 2.66Å; R488-E495 PolarHBondContact NH2-OE1 2.67Å; R488-E495 IonicContact NH2-OE2 3.76Å; R488-E495 PolarHBondContact NH2-OE2 2.8Å; E495-V497 WeakPolarHBondContact CB-O 3.18Å; E495-V497 VanDerWaalsContact CG-O 3.22Å; E495-V497 WeakPolarHBondContact CG-O 3.49Å; E495-V497 PolarHBondContact O-N 3.03Å; E495-R499 HydrophobicContact CB-CG 4.25Å; E495-R499 HydrophobicContact CG-CG 4.11Å; E495-Y621 HydrophobicContact CG-CE1 4.28Å; E495-Y621 PolarHBondContact OE1-OH 2.85Å | ||
| 496 | P | 93.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -71 | -19.3 | 177.1 | 30.3 | -36.7 | 0 | 0 | 0 | 113.3 | L166 W169 H270 Y701 | L166-P496 HydrophobicContact CD1-CB 3.55Å; L166-P496 HydrophobicContact CD1-CG 3.34Å; L166-P496 HydrophobicContact CD2-CB 4.41Å; W169-P496 HydrophobicContact CD2-CG 4.24Å; W169-P496 HydrophobicContact CE3-CG 3.61Å; W169-P496 VanDerWaalsContact CH2-CD 3.48Å; W169-P496 HydrophobicContact CH2-CG 4Å; W169-P496 VanDerWaalsContact CZ3-CD 3.45Å; W169-P496 HydrophobicContact CZ3-CG 3.42Å; W169-P496 VanDerWaalsContact CZ3-CG 3.42Å; H270-P496 VanDerWaalsContact ND1-CB 3.34Å; H270-P496 WeakPolarHBondContact ND1-CB 3.29Å; H270-P496 WeakPolarHBondContact ND1-CG 3.39Å; P496-Y701 PolarHBondContact O-OH 3.22Å |
| 497 | V | 90.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 20.4 Ų | 20.4 | 7% | 0.073 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -132.8 | 139.4 | -178.2 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | L166 E495 L678 Y701 | L166-V497 HydrophobicContact CD1-CG2 4.08Å; E495-V497 WeakPolarHBondContact CB-O 3.18Å; E495-V497 VanDerWaalsContact CG-O 3.22Å; E495-V497 WeakPolarHBondContact CG-O 3.49Å; E495-V497 PolarHBondContact O-N 3.03Å; V497-L678 HydrophobicContact CG1-CD1 3.45Å; V497-L678 VanDerWaalsContact CG1-CD1 3.45Å; V497-Y701 WeakPolarHBondContact CA-OH 3.37Å |
| 498 | P | 89.4 | Confident | 95.3 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 7% | 0.065 | 10% | 0.101 | C | C | . | . | trans | -56.2 | 150.8 | 177.4 | -20.4 | 27.9 | 0 | 0 | 0 | 113.2 | Y621 Y680 V691 | P498-Y621 HydrophobicContact CB-CE2 4.41Å; P498-Y621 HydrophobicContact CG-CD1 4.02Å; P498-Y621 HydrophobicContact CG-CD2 3.73Å; P498-Y621 HydrophobicContact CG-CE1 4.05Å; P498-Y621 HydrophobicContact CG-CE2 3.78Å; P498-Y621 HydrophobicContact CG-CG 3.86Å; P498-Y680 HydrophobicContact CB-CD1 3.8Å; P498-Y680 HydrophobicContact CB-CG 3.85Å; P498-Y680 HydrophobicContact CG-CD1 3.71Å; P498-Y680 HydrophobicContact CG-CE1 4.11Å; P498-Y680 HydrophobicContact CG-CG 4.21Å; P498-V691 HydrophobicContact CG-CG1 4.4Å | ||
| 499 | R | 89.4 | Confident | 95.1 | Very high | 24 Ų | 24 | 19.4 Ų | 19.4 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | trans | -124.6 | 123.3 | -171.1 | -71 | -83.4 | -176.3 | -105.3 | 14.4 | 111 | E170 R173 W484 E495 D505 | E170-R499 IonicContact OE1-NH1 3.26Å; E170-R499 IonicContact OE2-CZ 2.7Å; E170-R499 IonicContact OE2-NH1 2.6Å; E170-R499 PolarHBondContact OE2-NH1 2.91Å; E170-R499 IonicContact OE2-NH2 2.89Å; E170-R499 PolarHBondContact OE2-NH2 3.48Å; R173-R499 VanDerWaalsContact CD-NH2 3.27Å; W484-R499 VanDerWaalsContact NE1-CG 3.33Å; E495-R499 HydrophobicContact CB-CG 4.25Å; E495-R499 HydrophobicContact CG-CG 4.11Å; R499-D505 WeakPolarHBondContact CD-OD2 3.16Å; R499-D505 IonicContact CZ-OD2 3.93Å; R499-D505 IonicContact NE-OD1 2.78Å; R499-D505 IonicContact NE-OD2 2.81Å; R499-D505 PolarHBondContact NE-OD2 3.34Å | ||
| 500 | D | 88.5 | Confident | 94.6 | Very high | 53 Ų | 53 | 18.5 Ų | 18.5 | 28% | 0.283 | 9% | 0.094 | S | C | . | . | trans | -102.1 | 174.9 | 170.5 | 68.7 | 23.5 | 0 | 0 | 0 | 110.7 | T502 Y503 | D500-T502 PolarHBondContact O-N 2.87Å; D500-T502 WeakPolarHBondContact OD1-CA 3.4Å; D500-T502 VanDerWaalsContact OD1-CB 3.23Å; D500-T502 WeakPolarHBondContact OD1-CB 3.34Å; D500-T502 WeakPolarHBondContact OD1-CG2 3.23Å; D500-T502 PolarHBondContact OD1-N 3.04Å; D500-T502 PolarHBondContact OD1-OG1 3.07Å; D500-Y503 PolarHBondContact O-N 3.22Å; D500-Y503 VanDerWaalsContact OD1-CD2 3.29Å; D500-Y503 WeakPolarHBondContact OD1-CD2 3.47Å | ||
| 501 | E | 92.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 17.8 Ų | 17.8 | 23% | 0.234 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 4.2 | -179.8 | -62 | -60.6 | 149 | 0 | 0 | 113.6 | R181 D477 W479 M480 K481 | R181-E501 IonicContact CZ-OE2 2.94Å; R181-E501 PolarHBondContact NH1-O 3.33Å; R181-E501 IonicContact NH1-OE2 3.09Å; R181-E501 PolarHBondContact NH1-OE2 2.87Å; R181-E501 IonicContact NH2-OE2 2.67Å; R181-E501 PolarHBondContact NH2-OE2 3.39Å; D477-E501 VanDerWaalsContact O-CG 3.3Å; D477-E501 WeakPolarHBondContact O-CG 3.36Å; W479-E501 PolarHBondContact N-OE1 2.87Å; W479-E501 PolarHBondContact N-OE2 3.13Å; M480-E501 WeakPolarHBondContact CB-OE1 3.39Å; M480-E501 PolarHBondContact N-OE1 3.15Å; M480-E501 PolarHBondContact N-OE2 3.37Å; K481-E501 PolarHBondContact N-OE1 2.89Å |
| 502 | T | 91.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 17.7 Ų | 17.7 | 42% | 0.417 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.9 | 167.5 | 75.6 | 0 | 0 | 0 | 0 | 111.6 | K178 D500 | K178-T502 WeakPolarHBondContact CA-O 3.47Å; K178-T502 WeakPolarHBondContact CE-OG1 3.25Å; K178-T502 WeakPolarHBondContact CG-O 3.45Å; K178-T502 PolarHBondContact NZ-OG1 2.84Å; D500-T502 PolarHBondContact O-N 2.87Å; D500-T502 WeakPolarHBondContact OD1-CA 3.4Å; D500-T502 VanDerWaalsContact OD1-CB 3.23Å; D500-T502 WeakPolarHBondContact OD1-CB 3.34Å; D500-T502 WeakPolarHBondContact OD1-CG2 3.23Å; D500-T502 PolarHBondContact OD1-N 3.04Å; D500-T502 PolarHBondContact OD1-OG1 3.07Å |
| 503 | Y | 95.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 17.9 Ų | 17.9 | 7% | 0.071 | 9% | 0.09 | C | C | . | . | trans | -83 | 159.2 | 173.7 | -69.4 | -99.5 | 0 | 0 | 0 | 111.8 | E170 R173 K178 R181 M480 D500 | E170-Y503 WeakPolarHBondContact OE1-CE1 3.47Å; E170-Y503 PolarHBondContact OE1-OH 2.88Å; R173-Y503 HydrophobicContact CB-CD1 4.2Å; R173-Y503 HydrophobicContact CB-CE1 4.29Å; K178-Y503 WeakPolarHBondContact CE-OH 3.25Å; K178-Y503 HydrophobicContact CG-CD1 4.11Å; K178-Y503 HydrophobicContact CG-CE1 4.3Å; K178-Y503 HydrophobicContact CG-CG 4.29Å; R181-Y503 PolarHBondContact NH1-O 3.33Å; M480-Y503 WeakPolarHBondContact CG-O 3.35Å; D500-Y503 PolarHBondContact O-N 3.22Å; D500-Y503 VanDerWaalsContact OD1-CD2 3.29Å; D500-Y503 WeakPolarHBondContact OD1-CD2 3.47Å | ||
| 504 | C | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -142.3 | 82.2 | 161.8 | -152.2 | 0 | 0 | 0 | 0 | 107.5 | G177 R181 P506 P507 | G177-C504 VanDerWaalsContact CA-O 3.25Å; G177-C504 WeakPolarHBondContact CA-O 3.35Å; G177-C504 VanDerWaalsContact O-CB 3.31Å; G177-C504 WeakPolarHBondContact O-CB 3.41Å; G177-C504 PolarHBondContact O-N 3.34Å; G177-C504 VanDerWaalsContact O-N 3.16Å; R181-C504 HydrophobicContact CB-CB 3.83Å; R181-C504 HydrophobicContact CG-CB 4.39Å; C504-P506 VanDerWaalsContact C-CD 3.46Å; C504-P507 HydrophobicContact CB-CG 3.7Å; C504-P507 VanDerWaalsContact O-CD 3.25Å; C504-P507 WeakPolarHBondContact O-CD 3.5Å; C504-P507 WeakPolarHBondContact O-CG 3.35Å; C504-P507 WeakPolarHBondContact SG-CD 3.34Å; C504-P507 WeakPolarHBondContact SG-CG 3.38Å | ||
| 505 | D | 98.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.027 | 11% | 0.108 | C | C | . | . | trans | -64.8 | -34.9 | -177.1 | -62.6 | -8.9 | 0 | 0 | 0 | 113.5 | M480 W484 R499 A508 | M480-D505 HydrophobicContact CE-CB 3.61Å; M480-D505 WeakPolarHBondContact CE-OD2 3.35Å; M480-D505 HydrophobicContact SD-CB 4.37Å; M480-D505 PolarHBondContact SD-N 3.09Å; W484-D505 VanDerWaalsContact CZ2-OD2 3.23Å; W484-D505 WeakPolarHBondContact CZ2-OD2 3.37Å; W484-D505 PolarHBondContact NE1-OD2 3.46Å; R499-D505 WeakPolarHBondContact CD-OD2 3.16Å; R499-D505 IonicContact CZ-OD2 3.93Å; R499-D505 IonicContact NE-OD1 2.78Å; R499-D505 IonicContact NE-OD2 2.81Å; R499-D505 PolarHBondContact NE-OD2 3.34Å; D505-A508 VanDerWaalsContact O-CB 3.3Å; D505-A508 WeakPolarHBondContact O-CB 3.4Å; D505-A508 PolarHBondContact O-N 2.97Å; D505-A508 VanDerWaalsContact O-N 3.14Å | ||
| 506 | P | 98 | Very high | 92.9 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -57.1 | -51.5 | 179.4 | -24.9 | 34.2 | 0 | 0 | 0 | 114.7 | W465 W483 C504 A508 L509 V512 | W465-P506 HydrophobicContact CD2-CG 4.44Å; W465-P506 HydrophobicContact CE3-CB 4.34Å; W465-P506 HydrophobicContact CE3-CG 4.21Å; W465-P506 HydrophobicContact CH2-CB 4.21Å; W465-P506 HydrophobicContact CH2-CG 3.84Å; W465-P506 HydrophobicContact CZ2-CG 4.05Å; W465-P506 HydrophobicContact CZ3-CB 3.91Å; W465-P506 HydrophobicContact CZ3-CG 3.91Å; W483-P506 HydrophobicContact CD2-CG 3.68Å; W483-P506 HydrophobicContact CE3-CB 4.44Å; W483-P506 HydrophobicContact CE3-CG 3.63Å; W483-P506 HydrophobicContact CG-CG 4.18Å; W483-P506 HydrophobicContact CH2-CB 4.35Å; W483-P506 HydrophobicContact CH2-CG 4.18Å; W483-P506 HydrophobicContact CZ2-CG 4.25Å; W483-P506 HydrophobicContact CZ3-CB 4.21Å; W483-P506 HydrophobicContact CZ3-CG 3.87Å; C504-P506 VanDerWaalsContact C-CD 3.46Å; P506-A508 PolarHBondContact O-N 3.06Å; P506-A508 VanDerWaalsContact O-N 3.12Å; P506-L509 WeakPolarHBondContact O-CB 3.39Å; P506-L509 PolarHBondContact O-N 2.61Å; P506-L509 VanDerWaalsContact O-N 3.1Å; P506-V512 HydrophobicContact CB-CG1 4.2Å; P506-V512 WeakPolarHBondContact O-CB 3.46Å |
| 507 | P | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -71 | 0.6 | 176.9 | 30.4 | -37.9 | 0 | 0 | 0 | 114.5 | M180 Y184 C504 L509 V512 S513 | M180-P507 HydrophobicContact CB-CB 3.94Å; M180-P507 HydrophobicContact CB-CG 3.63Å; M180-P507 HydrophobicContact CG-CB 4.16Å; M180-P507 HydrophobicContact CG-CG 4.3Å; Y184-P507 HydrophobicContact CD2-CB 3.83Å; Y184-P507 HydrophobicContact CD2-CG 4.22Å; Y184-P507 HydrophobicContact CE2-CB 4.28Å; Y184-P507 HydrophobicContact CG-CB 4.25Å; Y184-P507 HydrophobicContact CG-CG 4.14Å; C504-P507 HydrophobicContact CB-CG 3.7Å; C504-P507 VanDerWaalsContact O-CD 3.25Å; C504-P507 WeakPolarHBondContact O-CD 3.5Å; C504-P507 WeakPolarHBondContact O-CG 3.35Å; C504-P507 WeakPolarHBondContact SG-CD 3.34Å; C504-P507 WeakPolarHBondContact SG-CG 3.38Å; P507-L509 PolarHBondContact O-N 3.18Å; P507-V512 HydrophobicContact CB-CG1 4.05Å; P507-S513 WeakPolarHBondContact O-CB 3.5Å |
| 508 | A | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -76.8 | 5.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y131 W172 V176 W276 D505 P506 | Y131-A508 WeakPolarHBondContact CE2-O 3.41Å; W172-A508 PolarHBondContact NE1-O 3.16Å; V176-A508 HydrophobicContact CB-CB 4.5Å; V176-A508 HydrophobicContact CG1-CB 4.13Å; W276-A508 PolarHBondContact NE1-O 3.07Å; D505-A508 VanDerWaalsContact O-CB 3.3Å; D505-A508 WeakPolarHBondContact O-CB 3.4Å; D505-A508 PolarHBondContact O-N 2.97Å; D505-A508 VanDerWaalsContact O-N 3.14Å; P506-A508 PolarHBondContact O-N 3.06Å; P506-A508 VanDerWaalsContact O-N 3.12Å |
| 509 | L | 94.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -111.2 | 137.2 | 171.6 | -177.7 | 147.8 | 0 | 0 | 0 | 110.2 | W276 F458 L462 P506 P507 H511 V512 S513 F518 | W276-L509 HydrophobicContact CB-CD1 4.34Å; W276-L509 HydrophobicContact CD2-CD1 4.12Å; W276-L509 HydrophobicContact CD2-CG 4.42Å; W276-L509 HydrophobicContact CG-CD1 4Å; F458-L509 HydrophobicContact CE1-CD1 3.93Å; F458-L509 HydrophobicContact CZ-CD1 3.57Å; L462-L509 HydrophobicContact CD1-CD1 4.27Å; P506-L509 WeakPolarHBondContact O-CB 3.39Å; P506-L509 PolarHBondContact O-N 2.61Å; P506-L509 VanDerWaalsContact O-N 3.1Å; P507-L509 PolarHBondContact O-N 3.18Å; L509-H511 HydrophobicContact CD2-CB 3.68Å; L509-H511 PolarHBondContact O-N 2.78Å; L509-V512 HydrophobicContact CD2-CG2 4.1Å; L509-V512 PolarHBondContact O-N 3.01Å; L509-S513 PolarHBondContact O-N 2.98Å; L509-S513 PolarHBondContact O-OG 3.08Å; L509-F518 HydrophobicContact CD2-CE2 4.09Å |
| 510 | F | 87.8 | Confident | 93.7 | Very high | 88 Ų | 88 | 25.4 Ų | 25.4 | 39% | 0.386 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -47 | -55.4 | -172.1 | 176.7 | -103.6 | 0 | 0 | 0 | 113.7 | Y131 V512 S513 G514 Y516 | Y131-F510 HydrophobicContact CD1-CD2 4.06Å; Y131-F510 HydrophobicContact CE1-CB 3.83Å; Y131-F510 AromaticContact CE1-CD2 3.73Å; Y131-F510 HydrophobicContact CE1-CD2 3.73Å; Y131-F510 HydrophobicContact CE1-CG 4.27Å; Y131-F510 HydrophobicContact CE2-CB 4.27Å; Y131-F510 VanDerWaalsContact CE2-N 3.3Å; Y131-F510 WeakPolarHBondContact OH-CB 3.38Å; Y131-F510 PolarHBondContact OH-N 3.32Å; F510-V512 VanDerWaalsContact C-N 3.26Å; F510-V512 PolarHBondContact O-N 3.31Å; F510-S513 PolarHBondContact O-N 3.4Å; F510-S513 PolarHBondContact O-OG 2.94Å; F510-G514 WeakPolarHBondContact O-CA 3.31Å; F510-G514 PolarHBondContact O-N 2.88Å; F510-Y516 HydrophobicContact CE1-CD2 4.07Å; F510-Y516 AromaticContact CE1-CE2 3.81Å; F510-Y516 HydrophobicContact CE1-CE2 3.81Å; F510-Y516 HydrophobicContact CZ-CE2 4.04Å |
| 511 | H | 92.9 | Very high | 94 | Very high | 19 Ų | 19 | 24.5 Ų | 24.5 | 9% | 0.088 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -32.8 | -176.5 | -59.6 | 75.1 | 0 | 0 | 0 | 113.9 | R278 L509 D515 Y516 F518 Y521 | R278-H511 PolarHBondContact NH1-CE1 3.41Å; L509-H511 HydrophobicContact CD2-CB 3.68Å; L509-H511 PolarHBondContact O-N 2.78Å; H511-D515 PolarHBondContact O-N 3.05Å; H511-Y516 PolarHBondContact O-N 3.01Å; H511-F518 HydrophobicContact CB-CD2 3.64Å; H511-F518 HydrophobicContact CB-CE2 3.98Å; H511-F518 AromaticContact CG-CD2 3.66Å; H511-F518 AromaticContact CG-CE2 3.66Å; H511-F518 AromaticContact ND1-CE2 3.69Å; H511-Y521 AromaticContact CD2-CE2 3.68Å; H511-Y521 AromaticContact NE2-CE2 3.54Å; H511-Y521 AromaticContact NE2-CZ 3.56Å; H511-Y521 PolarHBondContact NE2-OH 3.31Å |
| 512 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -77 | -46.4 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | Y184 L462 P506 P507 L509 F510 G514 | Y184-V512 HydrophobicContact CD2-CG1 4.5Å; Y184-V512 HydrophobicContact CE2-CG1 3.57Å; Y184-V512 WeakPolarHBondContact OH-CG1 3.32Å; L462-V512 HydrophobicContact CD1-CG2 4.1Å; L462-V512 HydrophobicContact CD2-CG2 4.04Å; L462-V512 HydrophobicContact CG-CG2 4.41Å; P506-V512 HydrophobicContact CB-CG1 4.2Å; P506-V512 WeakPolarHBondContact O-CB 3.46Å; P507-V512 HydrophobicContact CB-CG1 4.05Å; L509-V512 HydrophobicContact CD2-CG2 4.1Å; L509-V512 PolarHBondContact O-N 3.01Å; F510-V512 VanDerWaalsContact C-N 3.26Å; F510-V512 PolarHBondContact O-N 3.31Å; V512-G514 VanDerWaalsContact C-N 3.29Å; V512-G514 PolarHBondContact O-N 3.5Å |
| 513 | S | 92.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.1 | -27.3 | 173.9 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | P507 L509 F510 | P507-S513 WeakPolarHBondContact O-CB 3.5Å; L509-S513 PolarHBondContact O-N 2.98Å; L509-S513 PolarHBondContact O-OG 3.08Å; F510-S513 PolarHBondContact O-N 3.4Å; F510-S513 PolarHBondContact O-OG 2.94Å |
| 514 | G | 89.9 | Confident | 94.6 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 26% | 0.258 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 5.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F510 V512 Y516 | F510-G514 WeakPolarHBondContact O-CA 3.31Å; F510-G514 PolarHBondContact O-N 2.88Å; V512-G514 VanDerWaalsContact C-N 3.29Å; V512-G514 PolarHBondContact O-N 3.5Å; G514-Y516 VanDerWaalsContact C-N 3.35Å; G514-Y516 VanDerWaalsContact O-CD2 3.25Å; G514-Y516 WeakPolarHBondContact O-CD2 3.44Å; G514-Y516 VanDerWaalsContact O-CE2 3.3Å; G514-Y516 WeakPolarHBondContact O-CE2 3.34Å; G514-Y516 PolarHBondContact O-N 2.98Å |
| 515 | D | 93.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 19.9 Ų | 19.9 | 14% | 0.139 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 34.9 | 175.9 | -170.8 | 41.9 | 0 | 0 | 0 | 114.7 | M124 Y187 K191 Y203 H511 | M124-D515 HydrophobicContact CE-CB 3.7Å; Y187-D515 HydrophobicContact CE2-CB 4.02Å; Y187-D515 VanDerWaalsContact CE2-OD1 3.3Å; Y187-D515 WeakPolarHBondContact CE2-OD1 3.41Å; Y187-D515 VanDerWaalsContact CZ-OD1 3.28Å; Y187-D515 PolarHBondContact OH-OD1 3.03Å; K191-D515 WeakPolarHBondContact CE-OD2 2.85Å; K191-D515 IonicContact NZ-OD1 2.76Å; K191-D515 IonicContact NZ-OD2 3.18Å; K191-D515 PolarHBondContact NZ-OD2 2.93Å; Y203-D515 WeakPolarHBondContact CE1-OD1 3.42Å; Y203-D515 PolarHBondContact OH-OD1 3.45Å; Y203-D515 VanDerWaalsContact OH-OD1 3.07Å; Y203-D515 PolarHBondContact OH-OD2 3.49Å; H511-D515 PolarHBondContact O-N 3.05Å |
| 516 | Y | 88.3 | Confident | 94.6 | Very high | 109 Ų | 109 | 19.7 Ų | 19.7 | 43% | 0.427 | 9% | 0.091 | S | C | . | . | trans | -98.9 | 135.6 | 175.8 | -65.7 | -75.5 | 0 | 0 | 0 | 111.2 | R466 F510 H511 G514 | R466-Y516 PolarHBondContact NH1-O 3.13Å; R466-Y516 PolarHBondContact NH2-O 3.36Å; F510-Y516 HydrophobicContact CE1-CD2 4.07Å; F510-Y516 AromaticContact CE1-CE2 3.81Å; F510-Y516 HydrophobicContact CE1-CE2 3.81Å; F510-Y516 HydrophobicContact CZ-CE2 4.04Å; H511-Y516 PolarHBondContact O-N 3.01Å; G514-Y516 VanDerWaalsContact C-N 3.35Å; G514-Y516 VanDerWaalsContact O-CD2 3.25Å; G514-Y516 WeakPolarHBondContact O-CD2 3.44Å; G514-Y516 VanDerWaalsContact O-CE2 3.3Å; G514-Y516 WeakPolarHBondContact O-CE2 3.34Å; G514-Y516 PolarHBondContact O-N 2.98Å | ||
| 517 | S | 92.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | trans | -59.7 | 138.8 | 166 | 168.7 | 0 | 0 | 0 | 0 | 109.5 | E404 R520 | E404-S517 PolarHBondContact OE1-OG 2.88Å; E404-S517 VanDerWaalsContact OE2-CB 3.27Å; E404-S517 WeakPolarHBondContact OE2-CB 2.74Å; E404-S517 PolarHBondContact OE2-OG 3.41Å; S517-R520 WeakPolarHBondContact O-CD 3.36Å; S517-R520 PolarHBondContact O-NE 3.01Å | ||
| 518 | F | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -107 | -11.3 | -178.9 | -152.8 | -107 | 0 | 0 | 0 | 112.6 | F458 T459 L462 E463 L509 H511 R520 Y521 | F458-F518 AromaticContact CD1-CE1 3.92Å; F458-F518 HydrophobicContact CD1-CE1 3.92Å; F458-F518 HydrophobicContact CD1-CZ 4.36Å; F458-F518 AromaticContact CE1-CE1 3.76Å; F458-F518 HydrophobicContact CE1-CE1 3.76Å; F458-F518 AromaticContact CE1-CZ 3.89Å; F458-F518 HydrophobicContact CE1-CZ 3.89Å; T459-F518 HydrophobicContact CG2-CD1 3.63Å; T459-F518 HydrophobicContact CG2-CE1 3.85Å; T459-F518 VanDerWaalsContact CG2-O 3.3Å; T459-F518 WeakPolarHBondContact CG2-O 3.38Å; L462-F518 HydrophobicContact CB-CD1 4.33Å; L462-F518 HydrophobicContact CD1-CD1 4.13Å; L462-F518 HydrophobicContact CD1-CE1 4.15Å; L462-F518 HydrophobicContact CD2-CB 3.76Å; L462-F518 HydrophobicContact CD2-CD1 3.85Å; L462-F518 HydrophobicContact CD2-CG 3.87Å; L462-F518 HydrophobicContact CG-CD1 4.34Å; E463-F518 HydrophobicContact CG-CB 3.8Å; E463-F518 WeakPolarHBondContact OE1-CA 3.47Å; E463-F518 VanDerWaalsContact OE1-CB 3.23Å; E463-F518 WeakPolarHBondContact OE1-CB 3.18Å; E463-F518 PolarHBondContact OE1-N 3.39Å; L509-F518 HydrophobicContact CD2-CE2 4.09Å; H511-F518 HydrophobicContact CB-CD2 3.64Å; H511-F518 HydrophobicContact CB-CE2 3.98Å; H511-F518 AromaticContact CG-CD2 3.66Å; H511-F518 AromaticContact CG-CE2 3.66Å; H511-F518 AromaticContact ND1-CE2 3.69Å; F518-R520 PolarHBondContact O-N 2.62Å; F518-Y521 HydrophobicContact CD1-CD2 4.45Å; F518-Y521 AromaticContact CD2-CD2 3.7Å; F518-Y521 HydrophobicContact CD2-CD2 3.7Å; F518-Y521 AromaticContact CD2-CE2 3.77Å; F518-Y521 HydrophobicContact CD2-CE2 3.77Å; F518-Y521 HydrophobicContact CE1-CD2 4.46Å; F518-Y521 AromaticContact CE2-CD2 3.74Å; F518-Y521 HydrophobicContact CE2-CD2 3.74Å; F518-Y521 AromaticContact CE2-CE2 3.79Å; F518-Y521 HydrophobicContact CE2-CE2 3.79Å; F518-Y521 HydrophobicContact CG-CD2 4.07Å; F518-Y521 HydrophobicContact CZ-CD2 4.14Å; F518-Y521 PolarHBondContact O-N 2.68Å |
| 519 | I | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.9 | -25.5 | -177.2 | -163.3 | 63.8 | 0 | 0 | 0 | 111.8 | Y211 V231 E404 E463 W467 Y521 F522 T523 | Y211-I519 HydrophobicContact CE2-CG2 3.92Å; V231-I519 HydrophobicContact CG1-CD1 3.85Å; V231-I519 HydrophobicContact CG2-CD1 3.97Å; V231-I519 HydrophobicContact CG2-CG1 4.23Å; E404-I519 WeakPolarHBondContact OE1-CG2 3.48Å; E463-I519 HydrophobicContact CB-CB 4.45Å; E463-I519 HydrophobicContact CB-CD1 4.27Å; E463-I519 HydrophobicContact CG-CB 3.87Å; E463-I519 HydrophobicContact CG-CD1 4.46Å; W467-I519 HydrophobicContact CH2-CD1 3.95Å; W467-I519 HydrophobicContact CH2-CG1 4.01Å; W467-I519 HydrophobicContact CZ2-CB 4.09Å; W467-I519 HydrophobicContact CZ2-CD1 4.24Å; W467-I519 HydrophobicContact CZ2-CG1 3.96Å; W467-I519 HydrophobicContact CZ2-CG2 4.35Å; I519-Y521 PolarHBondContact O-N 2.88Å; I519-Y521 VanDerWaalsContact O-N 3.11Å; I519-F522 HydrophobicContact CD1-CB 3.88Å; I519-F522 HydrophobicContact CD1-CG 4.31Å; I519-F522 WeakPolarHBondContact O-CA 3.22Å; I519-F522 WeakPolarHBondContact O-CB 3.28Å; I519-F522 PolarHBondContact O-N 3.08Å; I519-T523 HydrophobicContact CG1-CG2 4.27Å; I519-T523 PolarHBondContact O-N 3.43Å; I519-T523 PolarHBondContact O-OG1 2.92Å |
| 520 | R | 93.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 19.5 Ų | 19.5 | 22% | 0.215 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -44.4 | -40.5 | 169.3 | 63.1 | -173.5 | 64 | -176 | -2.2 | 113.8 | E404 S517 F518 F522 T523 R524 | E404-R520 HydrophobicContact CB-CB 4.12Å; E404-R520 HydrophobicContact CG-CB 3.71Å; E404-R520 PolarHBondContact OE1-N 2.9Å; E404-R520 IonicContact OE2-CZ 3.31Å; E404-R520 IonicContact OE2-NE 2.74Å; E404-R520 PolarHBondContact OE2-NE 3.25Å; E404-R520 VanDerWaalsContact OE2-NE 3.09Å; E404-R520 IonicContact OE2-NH2 3.81Å; E404-R520 PolarHBondContact OE2-NH2 2.74Å; S517-R520 WeakPolarHBondContact O-CD 3.36Å; S517-R520 PolarHBondContact O-NE 3.01Å; F518-R520 PolarHBondContact O-N 2.62Å; R520-F522 VanDerWaalsContact C-N 3.33Å; R520-F522 PolarHBondContact O-N 2.71Å; R520-T523 PolarHBondContact O-OG1 3.36Å; R520-R524 WeakPolarHBondContact O-CB 3.23Å; R520-R524 PolarHBondContact O-N 3.01Å |
| 521 | Y | 94.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 15.3 Ų | 15.3 | 14% | 0.137 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73.1 | -28.2 | -178.2 | -63.1 | -64.8 | 0 | 0 | 0 | 112.3 | H511 F518 I519 T525 | H511-Y521 AromaticContact CD2-CE2 3.68Å; H511-Y521 AromaticContact NE2-CE2 3.54Å; H511-Y521 AromaticContact NE2-CZ 3.56Å; H511-Y521 PolarHBondContact NE2-OH 3.31Å; F518-Y521 HydrophobicContact CD1-CD2 4.45Å; F518-Y521 AromaticContact CD2-CD2 3.7Å; F518-Y521 HydrophobicContact CD2-CD2 3.7Å; F518-Y521 AromaticContact CD2-CE2 3.77Å; F518-Y521 HydrophobicContact CD2-CE2 3.77Å; F518-Y521 HydrophobicContact CE1-CD2 4.46Å; F518-Y521 AromaticContact CE2-CD2 3.74Å; F518-Y521 HydrophobicContact CE2-CD2 3.74Å; F518-Y521 AromaticContact CE2-CE2 3.79Å; F518-Y521 HydrophobicContact CE2-CE2 3.79Å; F518-Y521 HydrophobicContact CG-CD2 4.07Å; F518-Y521 HydrophobicContact CZ-CD2 4.14Å; F518-Y521 PolarHBondContact O-N 2.68Å; I519-Y521 PolarHBondContact O-N 2.88Å; I519-Y521 VanDerWaalsContact O-N 3.11Å; Y521-T525 WeakPolarHBondContact O-CB 3.17Å; Y521-T525 PolarHBondContact O-N 2.96Å; Y521-T525 PolarHBondContact O-OG1 3.29Å |
| 522 | F | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -73 | -54.5 | 174.9 | -171.4 | -84.7 | 0 | 0 | 0 | 109.8 | V231 I234 I238 L456 T459 I519 R520 T525 I526 | V231-F522 HydrophobicContact CB-CE1 4.24Å; V231-F522 HydrophobicContact CG1-CD1 4.08Å; V231-F522 HydrophobicContact CG1-CE1 3.89Å; V231-F522 HydrophobicContact CG1-CZ 4.19Å; V231-F522 HydrophobicContact CG2-CD1 4.08Å; V231-F522 HydrophobicContact CG2-CE1 4.19Å; I234-F522 HydrophobicContact CB-CE1 4.18Å; I234-F522 HydrophobicContact CB-CZ 4.3Å; I234-F522 HydrophobicContact CG2-CE1 3.75Å; I234-F522 HydrophobicContact CG2-CZ 3.78Å; I238-F522 HydrophobicContact CD1-CZ 4.4Å; L456-F522 HydrophobicContact CB-CD2 4.49Å; L456-F522 HydrophobicContact CB-CE2 4.37Å; L456-F522 HydrophobicContact CD2-CD2 3.71Å; L456-F522 HydrophobicContact CD2-CE2 4.02Å; L456-F522 HydrophobicContact CD2-CG 4.23Å; T459-F522 HydrophobicContact CG2-CB 3.83Å; I519-F522 HydrophobicContact CD1-CB 3.88Å; I519-F522 HydrophobicContact CD1-CG 4.31Å; I519-F522 WeakPolarHBondContact O-CA 3.22Å; I519-F522 WeakPolarHBondContact O-CB 3.28Å; I519-F522 PolarHBondContact O-N 3.08Å; R520-F522 VanDerWaalsContact C-N 3.33Å; R520-F522 PolarHBondContact O-N 2.71Å; F522-T525 WeakPolarHBondContact O-CB 3.38Å; F522-T525 PolarHBondContact O-N 3.19Å; F522-T525 VanDerWaalsContact O-N 3.14Å; F522-I526 HydrophobicContact CD1-CG1 4.44Å; F522-I526 HydrophobicContact CE1-CG1 4.3Å; F522-I526 PolarHBondContact O-N 3.45Å |
| 523 | T | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | -176.9 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | Y211 L227 I519 R520 T525 I526 Y527 M585 | Y211-T523 HydrophobicContact CE1-CG2 3.79Å; Y211-T523 PolarHBondContact OH-OG1 3.44Å; L227-T523 HydrophobicContact CD1-CG2 4.21Å; I519-T523 HydrophobicContact CG1-CG2 4.27Å; I519-T523 PolarHBondContact O-N 3.43Å; I519-T523 PolarHBondContact O-OG1 2.92Å; R520-T523 PolarHBondContact O-OG1 3.36Å; T523-T525 VanDerWaalsContact C-N 3.27Å; T523-T525 PolarHBondContact O-N 3.16Å; T523-I526 WeakPolarHBondContact O-CB 3.46Å; T523-I526 PolarHBondContact O-N 3.36Å; T523-Y527 WeakPolarHBondContact O-CD2 3.28Å; T523-Y527 PolarHBondContact O-N 2.96Å; T523-M585 HydrophobicContact CG2-CE 4.43Å; T523-M585 HydrophobicContact CG2-SD 3.57Å; T523-M585 VanDerWaalsContact CG2-SD 3.57Å |
| 524 | R | 95.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 18.4 Ų | 18.4 | 12% | 0.117 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -46.2 | -50.4 | 168.9 | 167.6 | -147.3 | 168.7 | 145.6 | -44.6 | 112.3 | H380 G405 E408 A409 E412 R520 I526 Y527 Q528 | H380-R524 PolarHBondContact CE1-NH1 3.22Å; G405-R524 WeakPolarHBondContact O-CA 3.25Å; G405-R524 WeakPolarHBondContact O-CB 3.4Å; E408-R524 HydrophobicContact CB-CB 3.92Å; E408-R524 HydrophobicContact CB-CG 3.46Å; E408-R524 VanDerWaalsContact CB-CG 3.46Å; E408-R524 IonicContact OE2-CZ 4Å; E408-R524 IonicContact OE2-NH1 3.78Å; E408-R524 PolarHBondContact OE2-NH1 3.12Å; A409-R524 HydrophobicContact CB-CG 4.08Å; E412-R524 IonicContact OE1-CZ 3.27Å; E412-R524 VanDerWaalsContact OE1-CZ 3.29Å; E412-R524 IonicContact OE1-NH1 2.68Å; E412-R524 IonicContact OE1-NH2 3.3Å; E412-R524 PolarHBondContact OE1-NH2 2.89Å; E412-R524 IonicContact OE2-NH2 2.67Å; R520-R524 WeakPolarHBondContact O-CB 3.23Å; R520-R524 PolarHBondContact O-N 3.01Å; R524-I526 PolarHBondContact O-N 3.29Å; R524-Y527 PolarHBondContact O-N 3.31Å; R524-Q528 WeakPolarHBondContact O-CB 3.48Å; R524-Q528 PolarHBondContact O-N 3.34Å |
| 525 | T | 97.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 5% | 0.049 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.8 | -29.1 | -176 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I452 L456 Y521 F522 T523 Q528 F529 L590 | I452-T525 HydrophobicContact CG2-CG2 3.63Å; L456-T525 HydrophobicContact CD1-CG2 3.99Å; L456-T525 HydrophobicContact CD2-CG2 3.81Å; L456-T525 HydrophobicContact CG-CG2 4.18Å; Y521-T525 WeakPolarHBondContact O-CB 3.17Å; Y521-T525 PolarHBondContact O-N 2.96Å; Y521-T525 PolarHBondContact O-OG1 3.29Å; F522-T525 WeakPolarHBondContact O-CB 3.38Å; F522-T525 PolarHBondContact O-N 3.19Å; F522-T525 VanDerWaalsContact O-N 3.14Å; T523-T525 VanDerWaalsContact C-N 3.27Å; T523-T525 PolarHBondContact O-N 3.16Å; T525-Q528 WeakPolarHBondContact O-CG 3.49Å; T525-F529 HydrophobicContact CG2-CE2 4.28Å; T525-F529 WeakPolarHBondContact O-CD2 3.43Å; T525-L590 HydrophobicContact CG2-CD1 3.91Å |
| 526 | I | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -74.5 | -49.5 | 173.1 | -53.3 | -51.3 | 0 | 0 | 0 | 110.2 | I234 I238 F522 T523 R524 Q528 F529 Q530 M585 D586 L590 | I234-I526 HydrophobicContact CD1-CG2 4.48Å; I234-I526 HydrophobicContact CG2-CD1 3.55Å; I234-I526 HydrophobicContact CG2-CG1 3.95Å; I238-I526 HydrophobicContact CD1-CD1 3.97Å; F522-I526 HydrophobicContact CD1-CG1 4.44Å; F522-I526 HydrophobicContact CE1-CG1 4.3Å; F522-I526 PolarHBondContact O-N 3.45Å; T523-I526 WeakPolarHBondContact O-CB 3.46Å; T523-I526 PolarHBondContact O-N 3.36Å; R524-I526 PolarHBondContact O-N 3.29Å; I526-Q528 VanDerWaalsContact C-N 3.29Å; I526-Q528 PolarHBondContact O-N 3.13Å; I526-F529 PolarHBondContact O-N 2.89Å; I526-Q530 PolarHBondContact O-N 3.49Å; I526-M585 HydrophobicContact CG2-CB 4.07Å; I526-D586 VanDerWaalsContact CG2-C 3.48Å; I526-D586 WeakPolarHBondContact CG2-O 3.48Å; I526-L590 HydrophobicContact CD1-CD1 4.12Å |
| 527 | Y | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.3 | -40.2 | 178.5 | -62.5 | -40.3 | 0 | 0 | 0 | 112.7 | N403 F406 T523 R524 F529 Q530 F531 W572 L576 M585 | N403-Y527 PolarHBondContact ND2-OH 2.59Å; F406-Y527 AromaticContact CD2-CD2 3.86Å; F406-Y527 HydrophobicContact CD2-CD2 3.86Å; F406-Y527 AromaticContact CD2-CE2 3.74Å; F406-Y527 HydrophobicContact CD2-CE2 3.74Å; F406-Y527 HydrophobicContact CD2-CG 4.43Å; F406-Y527 HydrophobicContact CE2-CD1 4.3Å; F406-Y527 HydrophobicContact CE2-CD2 4.09Å; F406-Y527 HydrophobicContact CE2-CE1 4.03Å; F406-Y527 AromaticContact CE2-CE2 3.84Å; F406-Y527 HydrophobicContact CE2-CE2 3.84Å; F406-Y527 HydrophobicContact CE2-CG 4.33Å; F406-Y527 AromaticContact CE2-CZ 3.81Å; T523-Y527 WeakPolarHBondContact O-CD2 3.28Å; T523-Y527 PolarHBondContact O-N 2.96Å; R524-Y527 PolarHBondContact O-N 3.31Å; Y527-F529 PolarHBondContact O-N 3.22Å; Y527-Q530 PolarHBondContact O-N 3.32Å; Y527-F531 WeakPolarHBondContact O-CB 3.45Å; Y527-F531 WeakPolarHBondContact O-CD1 3.48Å; Y527-F531 WeakPolarHBondContact O-CG 3.46Å; Y527-F531 PolarHBondContact O-N 3.38Å; Y527-W572 HydrophobicContact CE1-CE3 4.25Å; Y527-W572 AromaticContact CE1-CZ3 3.9Å; Y527-W572 HydrophobicContact CE1-CZ3 3.9Å; Y527-W572 VanDerWaalsContact OH-CZ3 3.27Å; Y527-W572 WeakPolarHBondContact OH-CZ3 3.37Å; Y527-L576 HydrophobicContact CD1-CD1 4.27Å; Y527-L576 HydrophobicContact CD1-CD2 4.47Å; Y527-L576 HydrophobicContact CE1-CD2 4.18Å; Y527-M585 HydrophobicContact CD1-CG 4.03Å; Y527-M585 HydrophobicContact CE1-CB 4.45Å; Y527-M585 HydrophobicContact CE1-CG 3.22Å; Y527-M585 HydrophobicContact CE1-SD 4.09Å |
| 528 | Q | 96.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.4 | -37.6 | -177.4 | 87.9 | -170.5 | 26 | 0 | 0 | 111.6 | A409 E412 I413 L416 R524 T525 I526 Q532 | A409-Q528 HydrophobicContact CB-CB 4.32Å; E412-Q528 HydrophobicContact CB-CB 4.17Å; I413-Q528 HydrophobicContact CG2-CB 4.06Å; I413-Q528 WeakPolarHBondContact CG2-O 3.32Å; L416-Q528 HydrophobicContact CD1-CG 4.29Å; R524-Q528 WeakPolarHBondContact O-CB 3.48Å; R524-Q528 PolarHBondContact O-N 3.34Å; T525-Q528 WeakPolarHBondContact O-CG 3.49Å; I526-Q528 VanDerWaalsContact C-N 3.29Å; I526-Q528 PolarHBondContact O-N 3.13Å; Q528-Q532 WeakPolarHBondContact O-CB 3.4Å; Q528-Q532 PolarHBondContact O-N 3.06Å |
| 529 | F | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -82.3 | -31.7 | 179.4 | -68.5 | -74.1 | 0 | 0 | 0 | 112.7 | L416 I452 T525 I526 Y527 F531 Q532 K533 P589 L590 Y593 F594 | L416-F529 HydrophobicContact CD1-CE1 4.11Å; I452-F529 HydrophobicContact CD1-CZ 4Å; I452-F529 HydrophobicContact CG2-CE2 3.63Å; I452-F529 HydrophobicContact CG2-CZ 3.86Å; T525-F529 HydrophobicContact CG2-CE2 4.28Å; T525-F529 WeakPolarHBondContact O-CD2 3.43Å; I526-F529 PolarHBondContact O-N 2.89Å; Y527-F529 PolarHBondContact O-N 3.22Å; F529-F531 VanDerWaalsContact C-N 3.33Å; F529-Q532 PolarHBondContact O-N 3.3Å; F529-K533 VanDerWaalsContact O-CB 3.3Å; F529-K533 WeakPolarHBondContact O-CB 3.43Å; F529-K533 PolarHBondContact O-N 3.25Å; F529-P589 HydrophobicContact CB-CB 3.87Å; F529-P589 WeakPolarHBondContact O-CB 3.36Å; F529-L590 HydrophobicContact CB-CB 4.09Å; F529-L590 HydrophobicContact CD2-CB 3.52Å; F529-L590 HydrophobicContact CD2-CD1 3.73Å; F529-L590 HydrophobicContact CD2-CG 3.62Å; F529-L590 HydrophobicContact CE2-CB 4.11Å; F529-L590 HydrophobicContact CE2-CD1 3.74Å; F529-L590 HydrophobicContact CE2-CG 3.69Å; F529-L590 HydrophobicContact CG-CB 3.9Å; F529-L590 HydrophobicContact CG-CG 4.39Å; F529-Y593 AromaticContact CD1-CD2 3.82Å; F529-Y593 HydrophobicContact CD1-CD2 3.82Å; F529-Y593 AromaticContact CD1-CG 3.9Å; F529-Y593 HydrophobicContact CD1-CG 3.9Å; F529-Y593 AromaticContact CE1-CD1 3.81Å; F529-Y593 HydrophobicContact CE1-CD1 3.81Å; F529-Y593 AromaticContact CE1-CD2 3.49Å; F529-Y593 HydrophobicContact CE1-CD2 3.49Å; F529-Y593 VanDerWaalsContact CE1-CD2 3.49Å; F529-Y593 HydrophobicContact CE1-CE1 4.26Å; F529-Y593 AromaticContact CE1-CE2 3.93Å; F529-Y593 HydrophobicContact CE1-CE2 3.93Å; F529-Y593 AromaticContact CE1-CG 3.42Å; F529-Y593 HydrophobicContact CE1-CG 3.42Å; F529-Y593 VanDerWaalsContact CE1-CG 3.42Å; F529-Y593 HydrophobicContact CZ-CD1 4.37Å; F529-Y593 HydrophobicContact CZ-CG 4.35Å; F529-F594 HydrophobicContact CE1-CE2 4.4Å; F529-F594 HydrophobicContact CE2-CE2 4.31Å; F529-F594 AromaticContact CZ-CE2 3.73Å; F529-F594 HydrophobicContact CZ-CE2 3.73Å; F529-F594 HydrophobicContact CZ-CZ 4.34Å |
| 530 | Q | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 169 | -71 | -176.1 | -96.3 | 0 | 0 | 110.7 | I526 Y527 A534 A580 D582 R584 D586 P589 | I526-Q530 PolarHBondContact O-N 3.49Å; Y527-Q530 PolarHBondContact O-N 3.32Å; Q530-A534 WeakPolarHBondContact O-CB 3.29Å; Q530-A534 PolarHBondContact O-N 2.94Å; Q530-A534 VanDerWaalsContact O-N 3.1Å; Q530-A580 HydrophobicContact CB-CB 4.23Å; Q530-D582 PolarHBondContact NE2-OD2 2.97Å; Q530-R584 PolarHBondContact NE2-O 3.13Å; Q530-D586 HydrophobicContact CG-CB 4.39Å; Q530-P589 HydrophobicContact CG-CG 4.1Å |
| 531 | F | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -51.5 | 175.3 | -63.6 | -9 | 0 | 0 | 0 | 111 | F406 A409 V410 I413 Y527 F529 K533 A534 L535 M563 L576 I579 | F406-F531 HydrophobicContact CD1-CE2 4.49Å; F406-F531 AromaticContact CD1-CZ 3.82Å; F406-F531 HydrophobicContact CD1-CZ 3.82Å; F406-F531 HydrophobicContact CE1-CE1 4.3Å; F406-F531 AromaticContact CE1-CZ 3.71Å; F406-F531 HydrophobicContact CE1-CZ 3.71Å; F406-F531 HydrophobicContact CE2-CZ 4.42Å; F406-F531 HydrophobicContact CG-CZ 4.24Å; F406-F531 HydrophobicContact CZ-CE1 4.45Å; F406-F531 HydrophobicContact CZ-CZ 4.04Å; A409-F531 HydrophobicContact CB-CD2 4.05Å; A409-F531 HydrophobicContact CB-CE2 3.73Å; V410-F531 HydrophobicContact CG2-CE2 4.45Å; I413-F531 HydrophobicContact CD1-CB 4.49Å; I413-F531 HydrophobicContact CG2-CB 3.88Å; I413-F531 HydrophobicContact CG2-CD2 4.49Å; Y527-F531 WeakPolarHBondContact O-CB 3.45Å; Y527-F531 WeakPolarHBondContact O-CD1 3.48Å; Y527-F531 WeakPolarHBondContact O-CG 3.46Å; Y527-F531 PolarHBondContact O-N 3.38Å; F529-F531 VanDerWaalsContact C-N 3.33Å; F531-K533 VanDerWaalsContact C-N 3.34Å; F531-K533 PolarHBondContact O-N 2.81Å; F531-A534 PolarHBondContact O-N 3.36Å; F531-A534 VanDerWaalsContact O-N 3.16Å; F531-L535 WeakPolarHBondContact O-CB 3.4Å; F531-L535 WeakPolarHBondContact O-CG 3.47Å; F531-L535 PolarHBondContact O-N 3.34Å; F531-M563 HydrophobicContact CE2-CE 4.08Å; F531-M563 HydrophobicContact CZ-CE 4.11Å; F531-L576 HydrophobicContact CD1-CD1 4.25Å; F531-L576 HydrophobicContact CE1-CD1 3.57Å; F531-I579 HydrophobicContact CB-CD1 4.02Å; F531-I579 HydrophobicContact CD1-CB 4.44Å; F531-I579 HydrophobicContact CD1-CD1 3.81Å; F531-I579 HydrophobicContact CD1-CG1 4.14Å; F531-I579 HydrophobicContact CD1-CG2 3.48Å; F531-I579 VanDerWaalsContact CD1-CG2 3.48Å; F531-I579 HydrophobicContact CD2-CD1 4.3Å; F531-I579 HydrophobicContact CE1-CD1 4.35Å; F531-I579 HydrophobicContact CE1-CG2 3.31Å; F531-I579 HydrophobicContact CG-CD1 3.78Å; F531-I579 HydrophobicContact CG-CG2 4.48Å; F531-I579 HydrophobicContact CZ-CG2 4.21Å |
| 532 | Q | 96.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.9 | -49.7 | -179.5 | -172.6 | 66.8 | 9.6 | 0 | 0 | 110.7 | I413 S417 Q528 F529 A534 L535 C536 L545 | I413-Q532 HydrophobicContact CG2-CB 4.49Å; S417-Q532 PolarHBondContact OG-NE2 2.88Å; Q528-Q532 WeakPolarHBondContact O-CB 3.4Å; Q528-Q532 PolarHBondContact O-N 3.06Å; F529-Q532 PolarHBondContact O-N 3.3Å; Q532-A534 PolarHBondContact O-N 2.57Å; Q532-L535 PolarHBondContact O-N 3.02Å; Q532-C536 VanDerWaalsContact O-CB 3.28Å; Q532-C536 WeakPolarHBondContact O-CB 3.32Å; Q532-C536 PolarHBondContact O-N 3.06Å; Q532-C536 PolarHBondContact O-SG 3.21Å; Q532-L545 HydrophobicContact CG-CD1 4.08Å; Q532-L545 HydrophobicContact CG-CG 4.46Å |
| 533 | K | 97.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 28 Ų | 28 | 34% | 0.343 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.4 | -50.9 | 177.4 | -175.5 | -173 | 176.1 | -58.7 | 0 | 111.5 | F529 F531 L535 C536 D537 L545 P589 | F529-K533 VanDerWaalsContact O-CB 3.3Å; F529-K533 WeakPolarHBondContact O-CB 3.43Å; F529-K533 PolarHBondContact O-N 3.25Å; F531-K533 VanDerWaalsContact C-N 3.34Å; F531-K533 PolarHBondContact O-N 2.81Å; K533-L535 VanDerWaalsContact C-N 3.32Å; K533-L535 PolarHBondContact O-N 2.73Å; K533-C536 PolarHBondContact O-N 3.46Å; K533-D537 IonicContact NZ-OD2 3.89Å; K533-D537 PolarHBondContact NZ-OD2 2.86Å; K533-D537 WeakPolarHBondContact O-CB 3.47Å; K533-D537 PolarHBondContact O-N 2.97Å; K533-L545 HydrophobicContact CB-CD1 4.28Å; K533-L545 HydrophobicContact CB-CD2 4.04Å; K533-P589 HydrophobicContact CB-CB 4.12Å; K533-P589 HydrophobicContact CB-CG 4.47Å; K533-P589 HydrophobicContact CD-CB 4.19Å; K533-P589 HydrophobicContact CD-CG 3.91Å |
| 534 | A | 97.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -33.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q530 F531 Q532 A538 I579 A580 | Q530-A534 WeakPolarHBondContact O-CB 3.29Å; Q530-A534 PolarHBondContact O-N 2.94Å; Q530-A534 VanDerWaalsContact O-N 3.1Å; F531-A534 PolarHBondContact O-N 3.36Å; F531-A534 VanDerWaalsContact O-N 3.16Å; Q532-A534 PolarHBondContact O-N 2.57Å; A534-A538 WeakPolarHBondContact O-CB 3.23Å; A534-A538 PolarHBondContact O-N 3.28Å; A534-A538 VanDerWaalsContact O-N 3.15Å; A534-I579 WeakPolarHBondContact CB-O 3.14Å; A534-A580 HydrophobicContact CB-CB 4.46Å |
| 535 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.3 | -37.9 | 176 | -65.5 | 174.3 | 0 | 0 | 0 | 111.9 | I413 F531 Q532 K533 A538 A539 I550 A556 K559 L560 I579 | I413-L535 HydrophobicContact CD1-CD1 3.62Å; F531-L535 WeakPolarHBondContact O-CB 3.4Å; F531-L535 WeakPolarHBondContact O-CG 3.47Å; F531-L535 PolarHBondContact O-N 3.34Å; Q532-L535 PolarHBondContact O-N 3.02Å; K533-L535 VanDerWaalsContact C-N 3.32Å; K533-L535 PolarHBondContact O-N 2.73Å; L535-A538 PolarHBondContact O-N 2.82Å; L535-A539 WeakPolarHBondContact O-CB 3.43Å; L535-A539 PolarHBondContact O-N 2.82Å; L535-I550 HydrophobicContact CB-CG2 4.09Å; L535-I550 HydrophobicContact CD1-CD1 4.42Å; L535-A556 HydrophobicContact CB-CB 4.27Å; L535-A556 HydrophobicContact CD2-CB 4.19Å; L535-A556 WeakPolarHBondContact CD2-O 3.37Å; L535-A556 WeakPolarHBondContact O-CB 3.26Å; L535-K559 HydrophobicContact CD2-CB 4.28Å; L535-L560 HydrophobicContact CD2-CB 3.93Å; L535-I579 HydrophobicContact CD1-CD1 4.5Å; L535-I579 HydrophobicContact CD2-CD1 4.47Å |
| 536 | C | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 173.7 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | Q532 K533 A538 A539 G540 H541 L545 C548 | Q532-C536 VanDerWaalsContact O-CB 3.28Å; Q532-C536 WeakPolarHBondContact O-CB 3.32Å; Q532-C536 PolarHBondContact O-N 3.06Å; Q532-C536 PolarHBondContact O-SG 3.21Å; K533-C536 PolarHBondContact O-N 3.46Å; C536-A538 VanDerWaalsContact C-N 3.3Å; C536-A538 PolarHBondContact O-N 2.64Å; C536-A539 CarbonylContact O-C 3.33Å; C536-A539 PolarHBondContact O-N 3.23Å; C536-A539 VanDerWaalsContact O-N 3.16Å; C536-G540 PolarHBondContact O-N 3.5Å; C536-H541 HydrophobicContact CB-CB 4.22Å; C536-H541 WeakPolarHBondContact O-CB 3.21Å; C536-H541 PolarHBondContact O-N 3.46Å; C536-L545 HydrophobicContact CB-CD1 3.9Å; C536-C548 VanDerWaalsContact CA-SG 3.53Å; C536-C548 HydrophobicContact CB-CB 3.87Å; C536-C548 WeakPolarHBondContact CB-SG 3.22Å; C536-C548 WeakPolarHBondContact SG-CB 3.48Å; C536-C548 CovalentContact SG-SG 2Å; C536-C548 PolarHBondContact SG-SG 2.67Å |
| 537 | D | 97.1 | Very high | 95.7 | Very high | 90 Ų | 90 | 32.8 Ų | 32.8 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 173.4 | -69.6 | -19.3 | 0 | 0 | 0 | 110.3 | K533 A539 G540 | K533-D537 IonicContact NZ-OD2 3.89Å; K533-D537 PolarHBondContact NZ-OD2 2.86Å; K533-D537 WeakPolarHBondContact O-CB 3.47Å; K533-D537 PolarHBondContact O-N 2.97Å; D537-A539 VanDerWaalsContact C-N 3.32Å; D537-A539 PolarHBondContact O-N 3.13Å; D537-G540 PolarHBondContact O-N 3.35Å; D537-G540 VanDerWaalsContact O-N 3.1Å |
| 538 | A | 97.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.2 | -29.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A534 L535 C536 G540 A556 | A534-A538 WeakPolarHBondContact O-CB 3.23Å; A534-A538 PolarHBondContact O-N 3.28Å; A534-A538 VanDerWaalsContact O-N 3.15Å; L535-A538 PolarHBondContact O-N 2.82Å; C536-A538 VanDerWaalsContact C-N 3.3Å; C536-A538 PolarHBondContact O-N 2.64Å; A538-G540 PolarHBondContact O-N 2.68Å; A538-A556 HydrophobicContact CB-CB 4.32Å |
| 539 | A | 96.7 | Very high | 95.3 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L535 C536 D537 H541 S553 A556 | L535-A539 WeakPolarHBondContact O-CB 3.43Å; L535-A539 PolarHBondContact O-N 2.82Å; C536-A539 CarbonylContact O-C 3.33Å; C536-A539 PolarHBondContact O-N 3.23Å; C536-A539 VanDerWaalsContact O-N 3.16Å; D537-A539 VanDerWaalsContact C-N 3.32Å; D537-A539 PolarHBondContact O-N 3.13Å; A539-H541 VanDerWaalsContact C-N 3.29Å; A539-H541 PolarHBondContact O-N 3.36Å; A539-S553 WeakPolarHBondContact CA-OG 3.34Å; A539-S553 WeakPolarHBondContact CB-OG 3.21Å; A539-A556 HydrophobicContact CB-CB 4.41Å |
| 540 | G | 96 | Very high | 95.2 | Very high | 58 Ų | 58 | 33.7 Ų | 33.7 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 23.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C536 D537 A538 | C536-G540 PolarHBondContact O-N 3.5Å; D537-G540 PolarHBondContact O-N 3.35Å; D537-G540 VanDerWaalsContact O-N 3.1Å; A538-G540 PolarHBondContact O-N 2.68Å |
| 541 | H | 95.5 | Very high | 95 | Very high | 47 Ų | 47 | 36 Ų | 36 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | trans | -68.8 | 136.8 | 175.5 | -176.2 | 67.5 | 0 | 0 | 0 | 110.6 | C536 A539 G543 D544 S547 | C536-H541 HydrophobicContact CB-CB 4.22Å; C536-H541 WeakPolarHBondContact O-CB 3.21Å; C536-H541 PolarHBondContact O-N 3.46Å; A539-H541 VanDerWaalsContact C-N 3.29Å; A539-H541 PolarHBondContact O-N 3.36Å; H541-G543 PolarHBondContact CD2-O 2.83Å; H541-G543 VanDerWaalsContact NE2-C 3.31Å; H541-G543 PolarHBondContact NE2-O 3.38Å; H541-D544 PolarHBondContact NE2-O 3.47Å; H541-S547 PolarHBondContact CE1-OG 3.47Å; H541-S547 VanDerWaalsContact CE1-OG 3.29Å; H541-S547 PolarHBondContact NE2-OG 2.6Å | ||
| 542 | T | 92.5 | Very high | 94.9 | Very high | 143 Ų | 143 | 38.4 Ų | 38.4 | 88% | 0.877 | 26% | 0.257 | S | S | * | . | trans | -123.1 | -7.7 | -176.5 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 543 | G | 91.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 46% | 0.464 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -85.4 | -168.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H541 | H541-G543 PolarHBondContact CD2-O 2.83Å; H541-G543 VanDerWaalsContact NE2-C 3.31Å; H541-G543 PolarHBondContact NE2-O 3.38Å |
| 544 | D | 92.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 41.6 Ų | 41.6 | 40% | 0.401 | 27% | 0.273 | S | S | . | . | trans | -61.9 | 143.6 | 175.5 | -56.1 | -73.9 | 0 | 0 | 0 | 111 | H541 S546 S547 K596 | H541-D544 PolarHBondContact NE2-O 3.47Å; D544-S546 PolarHBondContact O-N 3.32Å; D544-S546 VanDerWaalsContact O-N 3.15Å; D544-S547 PolarHBondContact O-N 3.06Å; D544-S547 PolarHBondContact O-OG 2.95Å; D544-K596 VanDerWaalsContact CG-CE 3.4Å; D544-K596 VanDerWaalsContact CG-NZ 3.35Å; D544-K596 WeakPolarHBondContact OD1-CE 3.42Å; D544-K596 IonicContact OD1-NZ 3.64Å; D544-K596 WeakPolarHBondContact OD2-CE 3.49Å; D544-K596 IonicContact OD2-NZ 2.6Å; D544-K596 PolarHBondContact OD2-NZ 3.31Å | ||
| 545 | L | 94.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -58.1 | -32 | -177.3 | -173.2 | 59.7 | 0 | 0 | 0 | 112.6 | Q532 K533 C536 S547 C548 Y593 | Q532-L545 HydrophobicContact CG-CD1 4.08Å; Q532-L545 HydrophobicContact CG-CG 4.46Å; K533-L545 HydrophobicContact CB-CD1 4.28Å; K533-L545 HydrophobicContact CB-CD2 4.04Å; C536-L545 HydrophobicContact CB-CD1 3.9Å; L545-S547 PolarHBondContact O-N 3.34Å; L545-C548 VanDerWaalsContact O-CB 3.28Å; L545-C548 WeakPolarHBondContact O-CB 3.39Å; L545-C548 PolarHBondContact O-N 2.89Å; L545-Y593 HydrophobicContact CB-CD2 4.32Å; L545-Y593 HydrophobicContact CD2-CD2 4.3Å; L545-Y593 HydrophobicContact CG-CD2 3.99Å |
| 546 | S | 91.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -63.4 | -20.2 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 115.4 | D544 | D544-S546 PolarHBondContact O-N 3.32Å; D544-S546 VanDerWaalsContact O-N 3.15Å |
| 547 | S | 91.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -99.9 | -0.5 | 179 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | H541 D544 L545 | H541-S547 PolarHBondContact CE1-OG 3.47Å; H541-S547 VanDerWaalsContact CE1-OG 3.29Å; H541-S547 PolarHBondContact NE2-OG 2.6Å; D544-S547 PolarHBondContact O-N 3.06Å; D544-S547 PolarHBondContact O-OG 2.95Å; L545-S547 PolarHBondContact O-N 3.34Å |
| 548 | C | 93.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | trans | -71.3 | 133.4 | -177.8 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | T420 C536 L545 | T420-C548 WeakPolarHBondContact CG2-O 3.48Å; C536-C548 VanDerWaalsContact CA-SG 3.53Å; C536-C548 HydrophobicContact CB-CB 3.87Å; C536-C548 WeakPolarHBondContact CB-SG 3.22Å; C536-C548 WeakPolarHBondContact SG-CB 3.48Å; C536-C548 CovalentContact SG-SG 2Å; C536-C548 PolarHBondContact SG-SG 2.67Å; L545-C548 VanDerWaalsContact O-CB 3.28Å; L545-C548 WeakPolarHBondContact O-CB 3.39Å; L545-C548 PolarHBondContact O-N 2.89Å | ||
| 549 | D | 92.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | trans | -130.1 | 118.7 | 170.6 | 174.7 | 10.7 | 0 | 0 | 0 | 107.9 | K422 H423 T551 | K422-D549 HydrophobicContact CD-CB 4.34Å; H423-D549 IonicContact ND1-OD1 3.73Å; H423-D549 IonicContact ND1-OD2 3.71Å; D549-T551 VanDerWaalsContact C-N 3.28Å; D549-T551 PolarHBondContact O-N 2.93Å; D549-T551 WeakPolarHBondContact OD1-CB 3.45Å; D549-T551 PolarHBondContact OD1-N 2.77Å; D549-T551 PolarHBondContact OD1-OG1 2.8Å; D549-T551 PolarHBondContact OD2-OG1 3.28Å | ||
| 550 | I | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | trans | -82 | -4.4 | -178.2 | 65.6 | 172.1 | 0 | 0 | 0 | 113.1 | F319 V323 L535 G552 S553 A556 | F319-I550 HydrophobicContact CE2-CG1 4.36Å; F319-I550 HydrophobicContact CZ-CD1 4.26Å; F319-I550 HydrophobicContact CZ-CG1 3.98Å; V323-I550 HydrophobicContact CG1-CD1 4.43Å; V323-I550 HydrophobicContact CG1-CG1 4.21Å; V323-I550 VanDerWaalsContact CG1-O 3.24Å; V323-I550 WeakPolarHBondContact CG1-O 3.5Å; L535-I550 HydrophobicContact CB-CG2 4.09Å; L535-I550 HydrophobicContact CD1-CD1 4.42Å; I550-G552 PolarHBondContact O-N 2.7Å; I550-S553 VanDerWaalsContact O-CB 3.26Å; I550-S553 WeakPolarHBondContact O-CB 3.16Å; I550-S553 PolarHBondContact O-N 3.44Å; I550-A556 HydrophobicContact CB-CB 4.46Å | ||
| 551 | T | 93.8 | Very high | 95 | Very high | 51 Ų | 51 | 46 Ų | 46 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 127.9 | -178.4 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | F319 H423 D549 S553 | F319-T551 HydrophobicContact CD2-CG2 4.46Å; F319-T551 WeakPolarHBondContact CD2-OG1 3.41Å; F319-T551 VanDerWaalsContact CE2-OG1 3.3Å; F319-T551 WeakPolarHBondContact CE2-OG1 3.4Å; H423-T551 PolarHBondContact ND1-OG1 3.01Å; H423-T551 VanDerWaalsContact ND1-OG1 3.12Å; D549-T551 VanDerWaalsContact C-N 3.28Å; D549-T551 PolarHBondContact O-N 2.93Å; D549-T551 WeakPolarHBondContact OD1-CB 3.45Å; D549-T551 PolarHBondContact OD1-N 2.77Å; D549-T551 PolarHBondContact OD1-OG1 2.8Å; D549-T551 PolarHBondContact OD2-OG1 3.28Å; T551-S553 VanDerWaalsContact C-N 3.31Å; T551-S553 PolarHBondContact O-N 3.04Å |
| 552 | G | 94.4 | Very high | 95.1 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -3.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S322 I550 K554 | S322-G552 CarbonylContact O-C 3.53Å; S322-G552 WeakPolarHBondContact O-CA 3.36Å; S322-G552 PolarHBondContact OG-N 3.35Å; I550-G552 PolarHBondContact O-N 2.7Å; G552-K554 PolarHBondContact O-N 3.35Å |
| 553 | S | 97 | Very high | 95.3 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -86.7 | 102.8 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | A539 I550 T551 E555 A556 G557 | A539-S553 WeakPolarHBondContact CA-OG 3.34Å; A539-S553 WeakPolarHBondContact CB-OG 3.21Å; I550-S553 VanDerWaalsContact O-CB 3.26Å; I550-S553 WeakPolarHBondContact O-CB 3.16Å; I550-S553 PolarHBondContact O-N 3.44Å; T551-S553 VanDerWaalsContact C-N 3.31Å; T551-S553 PolarHBondContact O-N 3.04Å; S553-E555 VanDerWaalsContact C-N 3.31Å; S553-A556 VanDerWaalsContact OG-CB 3.31Å; S553-A556 WeakPolarHBondContact OG-CB 3.46Å; S553-A556 PolarHBondContact OG-N 3.14Å; S553-G557 PolarHBondContact O-N 3.35Å; S553-G557 VanDerWaalsContact O-N 3.16Å | ||
| 554 | K | 96.8 | Very high | 95.6 | Very high | 136 Ų | 136 | 38.3 Ų | 38.3 | 59% | 0.591 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -72.8 | -27.7 | 177 | -68.1 | -174.2 | 178.1 | -176.6 | 0 | 112.3 | G552 T558 | G552-K554 PolarHBondContact O-N 3.35Å; K554-T558 VanDerWaalsContact O-CB 3.32Å; K554-T558 WeakPolarHBondContact O-CB 3.39Å; K554-T558 PolarHBondContact O-N 2.94Å; K554-T558 PolarHBondContact O-OG1 3.41Å |
| 555 | E | 97.7 | Very high | 95.9 | Very high | 129 Ų | 129 | 38.7 Ų | 38.7 | 60% | 0.603 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.8 | -47.1 | 175.3 | -68 | 73.1 | -164.2 | 0 | 0 | 110.3 | S553 T558 K559 | S553-E555 VanDerWaalsContact C-N 3.31Å; E555-T558 PolarHBondContact O-N 2.89Å; E555-K559 PolarHBondContact O-N 3.15Å; E555-K559 VanDerWaalsContact O-N 3.14Å |
| 556 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L535 A538 A539 I550 S553 T558 K559 L560 | L535-A556 HydrophobicContact CB-CB 4.27Å; L535-A556 HydrophobicContact CD2-CB 4.19Å; L535-A556 WeakPolarHBondContact CD2-O 3.37Å; L535-A556 WeakPolarHBondContact O-CB 3.26Å; A538-A556 HydrophobicContact CB-CB 4.32Å; A539-A556 HydrophobicContact CB-CB 4.41Å; I550-A556 HydrophobicContact CB-CB 4.46Å; S553-A556 VanDerWaalsContact OG-CB 3.31Å; S553-A556 WeakPolarHBondContact OG-CB 3.46Å; S553-A556 PolarHBondContact OG-N 3.14Å; A556-T558 VanDerWaalsContact C-N 3.31Å; A556-T558 PolarHBondContact O-N 3.27Å; A556-K559 WeakPolarHBondContact O-CB 3.47Å; A556-K559 PolarHBondContact O-N 3.15Å; A556-K559 VanDerWaalsContact O-N 3.12Å; A556-L560 PolarHBondContact O-N 3.37Å |
| 557 | G | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -28.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V323 S553 L560 R561 | V323-G557 VanDerWaalsContact O-CA 3.24Å; V323-G557 WeakPolarHBondContact O-CA 3.45Å; S553-G557 PolarHBondContact O-N 3.35Å; S553-G557 VanDerWaalsContact O-N 3.16Å; G557-L560 PolarHBondContact O-N 2.81Å; G557-R561 VanDerWaalsContact O-CB 3.27Å; G557-R561 WeakPolarHBondContact O-CB 3.48Å; G557-R561 PolarHBondContact O-N 3.36Å |
| 558 | T | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -44.8 | 170.3 | -62.1 | 0 | 0 | 0 | 0 | 111 | K554 E555 A556 L560 R561 N562 | K554-T558 VanDerWaalsContact O-CB 3.32Å; K554-T558 WeakPolarHBondContact O-CB 3.39Å; K554-T558 PolarHBondContact O-N 2.94Å; K554-T558 PolarHBondContact O-OG1 3.41Å; E555-T558 PolarHBondContact O-N 2.89Å; A556-T558 VanDerWaalsContact C-N 3.31Å; A556-T558 PolarHBondContact O-N 3.27Å; T558-L560 VanDerWaalsContact C-N 3.34Å; T558-L560 PolarHBondContact O-N 3.42Å; T558-R561 PolarHBondContact O-N 3.05Å; T558-N562 PolarHBondContact O-N 3.3Å; T558-N562 PolarHBondContact O-ND2 3.27Å; T558-N562 PolarHBondContact O-OD1 3.45Å |
| 559 | K | 97.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.7 | -161.5 | -178.4 | -160.2 | -164.8 | 0 | 111.6 | L535 E555 A556 I579 | L535-K559 HydrophobicContact CD2-CB 4.28Å; E555-K559 PolarHBondContact O-N 3.15Å; E555-K559 VanDerWaalsContact O-N 3.14Å; A556-K559 WeakPolarHBondContact O-CB 3.47Å; A556-K559 PolarHBondContact O-N 3.15Å; A556-K559 VanDerWaalsContact O-N 3.12Å; K559-I579 VanDerWaalsContact CD-O 3.31Å; K559-I579 WeakPolarHBondContact CD-O 3.37Å; K559-I579 WeakPolarHBondContact CE-O 3.5Å; K559-I579 PolarHBondContact NZ-O 3.07Å |
| 560 | L | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.2 | -54.8 | 174.5 | 176.2 | 61.5 | 0 | 0 | 0 | 111.2 | L325 I413 M414 L535 A556 G557 T558 N562 M563 L564 I579 | L325-L560 HydrophobicContact CD1-CD2 3.81Å; I413-L560 HydrophobicContact CD1-CD1 3.95Å; I413-L560 HydrophobicContact CD1-CD2 4.24Å; M414-L560 HydrophobicContact CE-CD2 3.28Å; L535-L560 HydrophobicContact CD2-CB 3.93Å; A556-L560 PolarHBondContact O-N 3.37Å; G557-L560 PolarHBondContact O-N 2.81Å; T558-L560 VanDerWaalsContact C-N 3.34Å; T558-L560 PolarHBondContact O-N 3.42Å; L560-N562 VanDerWaalsContact C-N 3.28Å; L560-N562 PolarHBondContact O-N 3.48Å; L560-M563 HydrophobicContact CD1-CE 4.03Å; L560-M563 WeakPolarHBondContact O-CB 3.45Å; L560-M563 PolarHBondContact O-N 3.49Å; L560-L564 HydrophobicContact CD1-CD1 4.17Å; L560-L564 HydrophobicContact CD1-CD2 3.95Å; L560-L564 HydrophobicContact CD1-CG 3.98Å; L560-L564 HydrophobicContact CD2-CD1 4.41Å; L560-L564 HydrophobicContact CG-CD1 3.86Å; L560-L564 HydrophobicContact CG-CG 4.07Å; L560-L564 WeakPolarHBondContact O-CG 3.25Å; L560-L564 PolarHBondContact O-N 3.02Å; L560-I579 HydrophobicContact CD1-CD1 3.8Å |
| 561 | R | 97.3 | Very high | 96.8 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.7 | -42.7 | -178.4 | -171.2 | 179.9 | 66.7 | -145.2 | -5.6 | 112.3 | G324 L325 Y326 G557 T558 M563 L564 E565 | G324-R561 PolarHBondContact O-NH1 2.99Å; L325-R561 HydrophobicContact CD2-CB 3.79Å; L325-R561 HydrophobicContact CD2-CG 4.21Å; Y326-R561 WeakPolarHBondContact OH-CD 3.44Å; G557-R561 VanDerWaalsContact O-CB 3.27Å; G557-R561 WeakPolarHBondContact O-CB 3.48Å; G557-R561 PolarHBondContact O-N 3.36Å; T558-R561 PolarHBondContact O-N 3.05Å; R561-M563 PolarHBondContact O-N 3.3Å; R561-L564 PolarHBondContact O-N 3.09Å; R561-E565 WeakPolarHBondContact CD-OE1 3.31Å; R561-E565 HydrophobicContact CG-CG 4.06Å; R561-E565 WeakPolarHBondContact CG-OE1 3.25Å; R561-E565 IonicContact NE-OE1 3.94Å; R561-E565 WeakPolarHBondContact O-CG 3.44Å; R561-E565 PolarHBondContact O-N 3.42Å |
| 562 | N | 97.8 | Very high | 97 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.1 | -35.7 | 178.5 | -69.4 | -7.7 | 0 | 0 | 0 | 112.4 | T558 L560 L566 T578 | T558-N562 PolarHBondContact O-N 3.3Å; T558-N562 PolarHBondContact O-ND2 3.27Å; T558-N562 PolarHBondContact O-OD1 3.45Å; L560-N562 VanDerWaalsContact C-N 3.28Å; L560-N562 PolarHBondContact O-N 3.48Å; N562-L566 WeakPolarHBondContact O-CG 3.28Å; N562-T578 HydrophobicContact CB-CG2 4.11Å |
| 563 | M | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.2 | -41.4 | 173.3 | 178.7 | -80 | -71.2 | 0 | 0 | 111.4 | F406 V410 F531 L560 R561 E565 L566 A575 T578 I579 | F406-M563 HydrophobicContact CD1-CE 4.3Å; F406-M563 HydrophobicContact CD1-SD 3.68Å; F406-M563 HydrophobicContact CE1-CG 4.23Å; F406-M563 HydrophobicContact CE1-SD 3.9Å; V410-M563 HydrophobicContact CG2-CE 3.96Å; F531-M563 HydrophobicContact CE2-CE 4.08Å; F531-M563 HydrophobicContact CZ-CE 4.11Å; L560-M563 HydrophobicContact CD1-CE 4.03Å; L560-M563 WeakPolarHBondContact O-CB 3.45Å; L560-M563 PolarHBondContact O-N 3.49Å; R561-M563 PolarHBondContact O-N 3.3Å; M563-E565 VanDerWaalsContact C-N 3.32Å; M563-E565 PolarHBondContact O-N 3.48Å; M563-L566 WeakPolarHBondContact O-CB 3.39Å; M563-L566 PolarHBondContact O-N 3.37Å; M563-A575 HydrophobicContact CG-CB 4.26Å; M563-A575 WeakPolarHBondContact CG-O 3.39Å; M563-T578 HydrophobicContact CB-CG2 4.24Å; M563-I579 HydrophobicContact CB-CB 3.94Å; M563-I579 HydrophobicContact CB-CG2 4.35Å; M563-I579 HydrophobicContact CE-CD1 3.77Å; M563-I579 HydrophobicContact CE-CG2 4.44Å; M563-I579 HydrophobicContact CG-CB 4.14Å; M563-I579 HydrophobicContact CG-CG2 3.98Å |
| 564 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | -179.4 | -59.2 | -179 | 0 | 0 | 0 | 112.7 | L325 Y387 A390 V410 L560 R561 L566 G567 | L325-L564 HydrophobicContact CD2-CD1 4.32Å; Y387-L564 HydrophobicContact CD1-CD2 3.85Å; Y387-L564 HydrophobicContact CD2-CB 3.71Å; Y387-L564 HydrophobicContact CD2-CD2 3.45Å; Y387-L564 VanDerWaalsContact CD2-CD2 3.45Å; Y387-L564 HydrophobicContact CD2-CG 4.11Å; Y387-L564 HydrophobicContact CE1-CD2 4.06Å; Y387-L564 VanDerWaalsContact CE2-CA 3.45Å; Y387-L564 HydrophobicContact CE2-CB 3.97Å; Y387-L564 HydrophobicContact CE2-CD2 3.71Å; Y387-L564 HydrophobicContact CE2-CG 4.45Å; Y387-L564 VanDerWaalsContact CE2-O 3.24Å; Y387-L564 WeakPolarHBondContact CE2-O 3.39Å; Y387-L564 HydrophobicContact CG-CD2 3.54Å; Y387-L564 HydrophobicContact CG-CG 4.5Å; A390-L564 HydrophobicContact CB-CB 3.45Å; A390-L564 VanDerWaalsContact CB-CB 3.45Å; V410-L564 HydrophobicContact CB-CD2 4.33Å; V410-L564 HydrophobicContact CG1-CD2 3.85Å; V410-L564 HydrophobicContact CG2-CD2 3.53Å; L560-L564 HydrophobicContact CD1-CD1 4.17Å; L560-L564 HydrophobicContact CD1-CD2 3.95Å; L560-L564 HydrophobicContact CD1-CG 3.98Å; L560-L564 HydrophobicContact CD2-CD1 4.41Å; L560-L564 HydrophobicContact CG-CD1 3.86Å; L560-L564 HydrophobicContact CG-CG 4.07Å; L560-L564 WeakPolarHBondContact O-CG 3.25Å; L560-L564 PolarHBondContact O-N 3.02Å; R561-L564 PolarHBondContact O-N 3.09Å; L564-L566 PolarHBondContact O-N 3.35Å; L564-G567 PolarHBondContact O-N 2.88Å |
| 565 | E | 97.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 36.3 Ų | 36.3 | 38% | 0.383 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.9 | -179.5 | -73 | 176.3 | 171.4 | 0 | 0 | 113.2 | Y326 A390 R561 M563 G567 | Y326-E565 PolarHBondContact OH-OE1 2.75Å; A390-E565 HydrophobicContact CB-CG 4.13Å; R561-E565 WeakPolarHBondContact CD-OE1 3.31Å; R561-E565 HydrophobicContact CG-CG 4.06Å; R561-E565 WeakPolarHBondContact CG-OE1 3.25Å; R561-E565 IonicContact NE-OE1 3.94Å; R561-E565 WeakPolarHBondContact O-CG 3.44Å; R561-E565 PolarHBondContact O-N 3.42Å; M563-E565 VanDerWaalsContact C-N 3.32Å; M563-E565 PolarHBondContact O-N 3.48Å; E565-G567 VanDerWaalsContact C-N 3.3Å; E565-G567 PolarHBondContact O-N 3.28Å |
| 566 | L | 97.8 | Very high | 97.2 | Very high | 39 Ų | 39 | 30.2 Ų | 30.2 | 20% | 0.204 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.1 | 176 | -58 | 176.8 | 0 | 0 | 0 | 112.4 | L394 N562 M563 L564 R568 S569 E570 A575 T578 | L394-L566 WeakPolarHBondContact CD1-O 3.2Å; N562-L566 WeakPolarHBondContact O-CG 3.28Å; M563-L566 WeakPolarHBondContact O-CB 3.39Å; M563-L566 PolarHBondContact O-N 3.37Å; L564-L566 PolarHBondContact O-N 3.35Å; L566-R568 PolarHBondContact O-N 2.83Å; L566-R568 VanDerWaalsContact O-N 3.15Å; L566-S569 WeakPolarHBondContact O-CB 3.18Å; L566-S569 PolarHBondContact O-N 3.44Å; L566-S569 PolarHBondContact O-OG 2.78Å; L566-E570 HydrophobicContact CD2-CG 4.16Å; L566-A575 HydrophobicContact CD1-CB 4.12Å; L566-T578 HydrophobicContact CD1-CG2 4.47Å |
| 567 | G | 96.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | -123.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D400 A402 L564 E565 | D400-G567 CarbonylContact O-C 3.56Å; D400-G567 WeakPolarHBondContact O-CA 3.28Å; A402-G567 WeakPolarHBondContact CA-O 3.49Å; A402-G567 PolarHBondContact N-O 3.39Å; L564-G567 PolarHBondContact O-N 2.88Å; E565-G567 VanDerWaalsContact C-N 3.3Å; E565-G567 PolarHBondContact O-N 3.28Å |
| 568 | R | 95.8 | Very high | 97.2 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 21% | 0.208 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 15.7 | 174.4 | -157.3 | 175.2 | 174.6 | -169.9 | -5 | 113.4 | L99 L398 D400 L566 E570 | L99-R568 WeakPolarHBondContact CD2-O 3.4Å; L398-R568 PolarHBondContact O-N 3.12Å; D400-R568 PolarHBondContact O-N 3.47Å; D400-R568 VanDerWaalsContact O-N 3.15Å; L566-R568 PolarHBondContact O-N 2.83Å; L566-R568 VanDerWaalsContact O-N 3.15Å; R568-E570 VanDerWaalsContact C-N 3.28Å; R568-E570 PolarHBondContact O-N 3.08Å |
| 569 | S | 95.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -74.6 | -19.3 | -178.8 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | L566 | L566-S569 WeakPolarHBondContact O-CB 3.18Å; L566-S569 PolarHBondContact O-N 3.44Å; L566-S569 PolarHBondContact O-OG 2.78Å |
| 570 | E | 95.1 | Very high | 97.1 | Very high | 83 Ų | 83 | 31.8 Ų | 31.8 | 39% | 0.388 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -121.8 | 161.9 | 178.2 | -67.6 | -66.8 | 161.6 | 0 | 0 | 110.1 | L566 R568 | L566-E570 HydrophobicContact CD2-CG 4.16Å; R568-E570 VanDerWaalsContact C-N 3.28Å; R568-E570 PolarHBondContact O-N 3.08Å |
| 571 | S | 96 | Very high | 97 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 12% | 0.119 | 18% | 0.181 | C | C | . | . | trans | -64.8 | 147.3 | 173 | 57.4 | 0 | 0 | 0 | 0 | 112 | D215 T573 R574 A575 | D215-S571 WeakPolarHBondContact OD2-CB 3.37Å; D215-S571 PolarHBondContact OD2-OG 3.24Å; S571-T573 PolarHBondContact O-N 3.5Å; S571-T573 VanDerWaalsContact O-N 3.15Å; S571-T573 PolarHBondContact OG-OG1 3.38Å; S571-R574 PolarHBondContact O-N 3.03Å; S571-R574 WeakPolarHBondContact OG-CG 3.34Å; S571-A575 PolarHBondContact O-N 3.39Å | ||
| 572 | W | 97.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -26.3 | 179.6 | 74.6 | -96.5 | 0 | 0 | 0 | 113.2 | Y211 Y222 A402 N403 F406 Y527 A575 L576 M585 | Y211-W572 PolarHBondContact O-NE1 2.88Å; Y222-W572 AromaticContact CD1-CZ2 3.78Å; Y222-W572 HydrophobicContact CD1-CZ2 3.78Å; Y222-W572 HydrophobicContact CD2-CH2 4.12Å; Y222-W572 AromaticContact CD2-CZ2 3.52Å; Y222-W572 HydrophobicContact CD2-CZ2 3.52Å; Y222-W572 AromaticContact CE1-CZ2 3.86Å; Y222-W572 HydrophobicContact CE1-CZ2 3.86Å; Y222-W572 AromaticContact CE2-CH2 3.96Å; Y222-W572 HydrophobicContact CE2-CH2 3.96Å; Y222-W572 AromaticContact CE2-CZ2 3.64Å; Y222-W572 HydrophobicContact CE2-CZ2 3.64Å; Y222-W572 AromaticContact CG-CZ2 3.58Å; Y222-W572 HydrophobicContact CG-CZ2 3.58Å; Y222-W572 AromaticContact CZ-CZ2 3.79Å; A402-W572 HydrophobicContact CB-CB 3.88Å; N403-W572 HydrophobicContact CB-CB 4.1Å; N403-W572 HydrophobicContact CB-CG 4.31Å; N403-W572 WeakPolarHBondContact ND2-CB 3.37Å; F406-W572 HydrophobicContact CE2-CB 4.14Å; F406-W572 HydrophobicContact CE2-CE3 4.09Å; F406-W572 HydrophobicContact CZ-CB 4.42Å; F406-W572 WeakPolarHBondContact CZ-O 3.48Å; Y527-W572 HydrophobicContact CE1-CE3 4.25Å; Y527-W572 AromaticContact CE1-CZ3 3.9Å; Y527-W572 HydrophobicContact CE1-CZ3 3.9Å; Y527-W572 VanDerWaalsContact OH-CZ3 3.27Å; Y527-W572 WeakPolarHBondContact OH-CZ3 3.37Å; W572-A575 PolarHBondContact O-N 3.1Å; W572-L576 HydrophobicContact CE3-CD2 4.47Å; W572-L576 HydrophobicContact CZ3-CD2 3.93Å; W572-L576 WeakPolarHBondContact O-CB 3.47Å; W572-L576 PolarHBondContact O-N 3.33Å; W572-M585 HydrophobicContact CH2-CE 4.48Å; W572-M585 HydrophobicContact CH2-CG 4.48Å |
| 573 | T | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.3 | -36.6 | 176.2 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | T213 Y220 S571 E577 V583 | T213-T573 HydrophobicContact CG2-CG2 4.29Å; Y220-T573 VanDerWaalsContact CA-OG1 3.32Å; Y220-T573 WeakPolarHBondContact CA-OG1 3.31Å; Y220-T573 WeakPolarHBondContact CB-OG1 3.46Å; Y220-T573 WeakPolarHBondContact O-CG2 3.4Å; Y220-T573 PolarHBondContact O-OG1 2.87Å; S571-T573 PolarHBondContact O-N 3.5Å; S571-T573 VanDerWaalsContact O-N 3.15Å; S571-T573 PolarHBondContact OG-OG1 3.38Å; T573-E577 PolarHBondContact O-N 2.93Å; T573-E577 VanDerWaalsContact O-N 3.15Å; T573-V583 WeakPolarHBondContact CG2-O 3.46Å |
| 574 | R | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.4 | -39.7 | 170.1 | -69.1 | 178.7 | -175.4 | -77.7 | 1.3 | 112.2 | D215 D217 Y220 S571 L576 E577 T578 | D215-R574 IonicContact OD1-CZ 3.47Å; D215-R574 VanDerWaalsContact OD1-CZ 3.3Å; D215-R574 IonicContact OD1-NE 3.64Å; D215-R574 PolarHBondContact OD1-NE 3.01Å; D215-R574 IonicContact OD1-NH2 3.29Å; D215-R574 PolarHBondContact OD1-NH2 2.78Å; D215-R574 IonicContact OD2-NE 3.14Å; D217-R574 IonicContact OD2-CZ 3.72Å; D217-R574 IonicContact OD2-NH2 2.59Å; D217-R574 PolarHBondContact OD2-NH2 3.28Å; Y220-R574 HydrophobicContact CD1-CB 4.31Å; Y220-R574 HydrophobicContact CD1-CG 3.37Å; Y220-R574 HydrophobicContact CD2-CG 4.28Å; Y220-R574 VanDerWaalsContact CD2-NH2 3.34Å; Y220-R574 HydrophobicContact CE1-CB 4.45Å; Y220-R574 HydrophobicContact CE1-CG 3.65Å; Y220-R574 HydrophobicContact CG-CG 3.72Å; S571-R574 PolarHBondContact O-N 3.03Å; S571-R574 WeakPolarHBondContact OG-CG 3.34Å; R574-L576 VanDerWaalsContact C-N 3.31Å; R574-L576 PolarHBondContact O-N 3.26Å; R574-E577 PolarHBondContact O-N 3.34Å; R574-T578 PolarHBondContact O-N 2.91Å; R574-T578 PolarHBondContact O-OG1 3.07Å |
| 575 | A | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A402 F406 M563 L566 S571 W572 T578 I579 | A402-A575 HydrophobicContact CB-CB 3.76Å; F406-A575 HydrophobicContact CE1-CB 3.76Å; F406-A575 HydrophobicContact CZ-CB 4.21Å; M563-A575 HydrophobicContact CG-CB 4.26Å; M563-A575 WeakPolarHBondContact CG-O 3.39Å; L566-A575 HydrophobicContact CD1-CB 4.12Å; S571-A575 PolarHBondContact O-N 3.39Å; W572-A575 PolarHBondContact O-N 3.1Å; A575-T578 WeakPolarHBondContact O-CB 3.39Å; A575-T578 PolarHBondContact O-N 3.09Å; A575-I579 PolarHBondContact O-N 2.84Å |
| 576 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 174 | -172.7 | 55.3 | 0 | 0 | 0 | 111.4 | F406 Y527 F531 W572 R574 T578 I579 A580 D582 R584 | F406-L576 HydrophobicContact CZ-CB 3.96Å; F406-L576 HydrophobicContact CZ-CD1 4.46Å; Y527-L576 HydrophobicContact CD1-CD1 4.27Å; Y527-L576 HydrophobicContact CD1-CD2 4.47Å; Y527-L576 HydrophobicContact CE1-CD2 4.18Å; F531-L576 HydrophobicContact CD1-CD1 4.25Å; F531-L576 HydrophobicContact CE1-CD1 3.57Å; W572-L576 HydrophobicContact CE3-CD2 4.47Å; W572-L576 HydrophobicContact CZ3-CD2 3.93Å; W572-L576 WeakPolarHBondContact O-CB 3.47Å; W572-L576 PolarHBondContact O-N 3.33Å; R574-L576 VanDerWaalsContact C-N 3.31Å; R574-L576 PolarHBondContact O-N 3.26Å; L576-T578 VanDerWaalsContact C-N 3.28Å; L576-T578 PolarHBondContact O-N 2.85Å; L576-I579 WeakPolarHBondContact O-CG2 3.47Å; L576-I579 PolarHBondContact O-N 3Å; L576-A580 HydrophobicContact CD1-CB 3.84Å; L576-A580 HydrophobicContact CG-CB 4.38Å; L576-A580 WeakPolarHBondContact O-CB 3.27Å; L576-A580 PolarHBondContact O-N 3.31Å; L576-D582 CarbonylContact C-O 3.09Å; L576-D582 WeakPolarHBondContact CB-O 3.4Å; L576-D582 HydrophobicContact CD2-CB 4.33Å; L576-D582 HydrophobicContact CG-CB 4.28Å; L576-D582 VanDerWaalsContact CG-O 3.29Å; L576-D582 WeakPolarHBondContact CG-O 3.29Å; L576-R584 VanDerWaalsContact CD2-O 3.26Å; L576-R584 WeakPolarHBondContact CD2-O 3.28Å |
| 577 | E | 97.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 38% | 0.379 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 178.8 | -170.5 | -173.3 | -131.2 | 0 | 0 | 111.1 | Y220 T573 R574 I579 G581 D582 V583 | Y220-E577 PolarHBondContact OH-OE1 3.42Å; Y220-E577 PolarHBondContact OH-OE2 3.28Å; T573-E577 PolarHBondContact O-N 2.93Å; T573-E577 VanDerWaalsContact O-N 3.15Å; R574-E577 PolarHBondContact O-N 3.34Å; E577-I579 VanDerWaalsContact C-N 3.27Å; E577-I579 PolarHBondContact O-N 3.37Å; E577-G581 VanDerWaalsContact O-CA 3.22Å; E577-G581 WeakPolarHBondContact O-CA 3.41Å; E577-G581 PolarHBondContact O-N 3.47Å; E577-D582 WeakPolarHBondContact CA-O 3.19Å; E577-D582 PolarHBondContact N-O 3.28Å; E577-V583 HydrophobicContact CB-CG1 4.12Å; E577-V583 HydrophobicContact CG-CG1 4.31Å |
| 578 | T | 97.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 36% | 0.356 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.6 | -38.7 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | N562 M563 L566 R574 A575 L576 | N562-T578 HydrophobicContact CB-CG2 4.11Å; M563-T578 HydrophobicContact CB-CG2 4.24Å; L566-T578 HydrophobicContact CD1-CG2 4.47Å; R574-T578 PolarHBondContact O-N 2.91Å; R574-T578 PolarHBondContact O-OG1 3.07Å; A575-T578 WeakPolarHBondContact O-CB 3.39Å; A575-T578 PolarHBondContact O-N 3.09Å; L576-T578 VanDerWaalsContact C-N 3.28Å; L576-T578 PolarHBondContact O-N 2.85Å |
| 579 | I | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -97.2 | -46 | -178.8 | -173.8 | 168.5 | 0 | 0 | 0 | 113.6 | F531 A534 L535 K559 L560 M563 A575 L576 E577 | F531-I579 HydrophobicContact CB-CD1 4.02Å; F531-I579 HydrophobicContact CD1-CB 4.44Å; F531-I579 HydrophobicContact CD1-CD1 3.81Å; F531-I579 HydrophobicContact CD1-CG1 4.14Å; F531-I579 HydrophobicContact CD1-CG2 3.48Å; F531-I579 VanDerWaalsContact CD1-CG2 3.48Å; F531-I579 HydrophobicContact CD2-CD1 4.3Å; F531-I579 HydrophobicContact CE1-CD1 4.35Å; F531-I579 HydrophobicContact CE1-CG2 3.31Å; F531-I579 HydrophobicContact CG-CD1 3.78Å; F531-I579 HydrophobicContact CG-CG2 4.48Å; F531-I579 HydrophobicContact CZ-CG2 4.21Å; A534-I579 WeakPolarHBondContact CB-O 3.14Å; L535-I579 HydrophobicContact CD1-CD1 4.5Å; L535-I579 HydrophobicContact CD2-CD1 4.47Å; K559-I579 VanDerWaalsContact CD-O 3.31Å; K559-I579 WeakPolarHBondContact CD-O 3.37Å; K559-I579 WeakPolarHBondContact CE-O 3.5Å; K559-I579 PolarHBondContact NZ-O 3.07Å; L560-I579 HydrophobicContact CD1-CD1 3.8Å; M563-I579 HydrophobicContact CB-CB 3.94Å; M563-I579 HydrophobicContact CB-CG2 4.35Å; M563-I579 HydrophobicContact CE-CD1 3.77Å; M563-I579 HydrophobicContact CE-CG2 4.44Å; M563-I579 HydrophobicContact CG-CB 4.14Å; M563-I579 HydrophobicContact CG-CG2 3.98Å; A575-I579 PolarHBondContact O-N 2.84Å; L576-I579 WeakPolarHBondContact O-CG2 3.47Å; L576-I579 PolarHBondContact O-N 3Å; E577-I579 VanDerWaalsContact C-N 3.27Å; E577-I579 PolarHBondContact O-N 3.37Å |
| 580 | A | 95.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -98.1 | -25.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q530 A534 L576 D582 | Q530-A580 HydrophobicContact CB-CB 4.23Å; A534-A580 HydrophobicContact CB-CB 4.46Å; L576-A580 HydrophobicContact CD1-CB 3.84Å; L576-A580 HydrophobicContact CG-CB 4.38Å; L576-A580 WeakPolarHBondContact O-CB 3.27Å; L576-A580 PolarHBondContact O-N 3.31Å; A580-D582 HydrophobicContact CB-CB 4.29Å |
| 581 | G | 95.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 29.3 Ų | 29.3 | 53% | 0.526 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 80.5 | 2.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E577 | E577-G581 VanDerWaalsContact O-CA 3.22Å; E577-G581 WeakPolarHBondContact O-CA 3.41Å; E577-G581 PolarHBondContact O-N 3.47Å |
| 582 | D | 95.1 | Very high | 97.3 | Very high | 59 Ų | 59 | 33.2 Ų | 33.2 | 32% | 0.316 | 19% | 0.187 | S | C | . | . | trans | -100.7 | 153.1 | 177.7 | -57.8 | -47.4 | 0 | 0 | 0 | 110.8 | Q530 L576 E577 A580 | Q530-D582 PolarHBondContact NE2-OD2 2.97Å; L576-D582 CarbonylContact C-O 3.09Å; L576-D582 WeakPolarHBondContact CB-O 3.4Å; L576-D582 HydrophobicContact CD2-CB 4.33Å; L576-D582 HydrophobicContact CG-CB 4.28Å; L576-D582 VanDerWaalsContact CG-O 3.29Å; L576-D582 WeakPolarHBondContact CG-O 3.29Å; E577-D582 WeakPolarHBondContact CA-O 3.19Å; E577-D582 PolarHBondContact N-O 3.28Å; A580-D582 HydrophobicContact CB-CB 4.29Å | ||
| 583 | V | 96.7 | Very high | 97.3 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -111.8 | 4.7 | 174.2 | -63.1 | 0 | 0 | 0 | 0 | 113 | Y220 T573 E577 | Y220-V583 HydrophobicContact CD1-CG1 4.07Å; Y220-V583 HydrophobicContact CE1-CG1 3.69Å; T573-V583 WeakPolarHBondContact CG2-O 3.46Å; E577-V583 HydrophobicContact CB-CG1 4.12Å; E577-V583 HydrophobicContact CG-CG1 4.31Å |
| 584 | R | 96.3 | Very high | 97.3 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -143.1 | 157.9 | -177.6 | -65.9 | -63.4 | -177.6 | -111.9 | 5.4 | 110.9 | P219 K221 Q530 L576 | P219-R584 PolarHBondContact O-NH1 3.06Å; P219-R584 VanDerWaalsContact O-NH1 3.13Å; K221-R584 PolarHBondContact O-NH2 3.4Å; Q530-R584 PolarHBondContact NE2-O 3.13Å; L576-R584 VanDerWaalsContact CD2-O 3.26Å; L576-R584 WeakPolarHBondContact CD2-O 3.28Å |
| 585 | M | 97.5 | Very high | 97.4 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.069 | 20% | 0.196 | C | C | . | . | trans | -64.5 | 133.1 | 170.6 | -73.1 | 175.3 | -72.5 | 0 | 0 | 110.3 | Y222 L227 D230 I234 T523 I526 Y527 W572 | Y222-M585 VanDerWaalsContact OH-CE 3.29Å; Y222-M585 WeakPolarHBondContact OH-CE 3.33Å; L227-M585 HydrophobicContact CD1-CE 3.94Å; D230-M585 HydrophobicContact CB-CE 4.13Å; I234-M585 HydrophobicContact CD1-CB 3.6Å; T523-M585 HydrophobicContact CG2-CE 4.43Å; T523-M585 HydrophobicContact CG2-SD 3.57Å; T523-M585 VanDerWaalsContact CG2-SD 3.57Å; I526-M585 HydrophobicContact CG2-CB 4.07Å; Y527-M585 HydrophobicContact CD1-CG 4.03Å; Y527-M585 HydrophobicContact CE1-CB 4.45Å; Y527-M585 HydrophobicContact CE1-CG 3.22Å; Y527-M585 HydrophobicContact CE1-SD 4.09Å; W572-M585 HydrophobicContact CH2-CE 4.48Å; W572-M585 HydrophobicContact CH2-CG 4.48Å | ||
| 586 | D | 97.8 | Very high | 97.4 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 35% | 0.348 | 21% | 0.21 | S | C | . | . | trans | -135.3 | 124.6 | 179.4 | -178.7 | 15.2 | 0 | 0 | 0 | 111.4 | I526 Q530 G588 | I526-D586 VanDerWaalsContact CG2-C 3.48Å; I526-D586 WeakPolarHBondContact CG2-O 3.48Å; Q530-D586 HydrophobicContact CG-CB 4.39Å; D586-G588 VanDerWaalsContact C-N 3.32Å; D586-G588 PolarHBondContact OD1-N 2.83Å | ||
| 587 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79.1 | -13.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | I234 I238 L590 L591 | I234-A587 HydrophobicContact CG1-CB 4.48Å; I234-A587 HydrophobicContact CG2-CB 3.85Å; I238-A587 HydrophobicContact CG1-CB 4.39Å; A587-L590 WeakPolarHBondContact O-CB 3.22Å; A587-L590 PolarHBondContact O-N 2.91Å; A587-L590 VanDerWaalsContact O-N 3.07Å; A587-L591 WeakPolarHBondContact O-CG 3.49Å; A587-L591 PolarHBondContact O-N 2.99Å |
| 588 | G | 98.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 37 Ų | 37 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -48.2 | -55.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D586 L590 L591 D592 | D586-G588 VanDerWaalsContact C-N 3.32Å; D586-G588 PolarHBondContact OD1-N 2.83Å; G588-L590 VanDerWaalsContact C-N 3.28Å; G588-L590 PolarHBondContact O-N 3.08Å; G588-L591 PolarHBondContact O-N 3.28Å; G588-D592 PolarHBondContact O-N 3.35Å |
| 589 | P | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -33.8 | 178.4 | -29.6 | 38.4 | 0 | 0 | 0 | 114.9 | F529 Q530 K533 Y593 | F529-P589 HydrophobicContact CB-CB 3.87Å; F529-P589 WeakPolarHBondContact O-CB 3.36Å; Q530-P589 HydrophobicContact CG-CG 4.1Å; K533-P589 HydrophobicContact CB-CB 4.12Å; K533-P589 HydrophobicContact CB-CG 4.47Å; K533-P589 HydrophobicContact CD-CB 4.19Å; K533-P589 HydrophobicContact CD-CG 3.91Å; P589-Y593 PolarHBondContact O-N 2.9Å |
| 590 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 174.2 | 179.5 | 158.4 | 0 | 0 | 0 | 110.5 | L456 T525 I526 F529 A587 G588 D592 Y593 F594 | L456-L590 HydrophobicContact CD1-CD1 3.79Å; T525-L590 HydrophobicContact CG2-CD1 3.91Å; I526-L590 HydrophobicContact CD1-CD1 4.12Å; F529-L590 HydrophobicContact CB-CB 4.09Å; F529-L590 HydrophobicContact CD2-CB 3.52Å; F529-L590 HydrophobicContact CD2-CD1 3.73Å; F529-L590 HydrophobicContact CD2-CG 3.62Å; F529-L590 HydrophobicContact CE2-CB 4.11Å; F529-L590 HydrophobicContact CE2-CD1 3.74Å; F529-L590 HydrophobicContact CE2-CG 3.69Å; F529-L590 HydrophobicContact CG-CB 3.9Å; F529-L590 HydrophobicContact CG-CG 4.39Å; A587-L590 WeakPolarHBondContact O-CB 3.22Å; A587-L590 PolarHBondContact O-N 2.91Å; A587-L590 VanDerWaalsContact O-N 3.07Å; G588-L590 VanDerWaalsContact C-N 3.28Å; G588-L590 PolarHBondContact O-N 3.08Å; L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.3Å; L590-Y593 WeakPolarHBondContact O-CB 3.46Å; L590-Y593 PolarHBondContact O-N 3.41Å; L590-F594 HydrophobicContact CD2-CD2 4.15Å; L590-F594 HydrophobicContact CG-CD2 4.38Å; L590-F594 WeakPolarHBondContact O-CD2 3.34Å; L590-F594 PolarHBondContact O-N 2.89Å |
| 591 | L | 98.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 27% | 0.272 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 179.7 | -65 | 175.3 | 0 | 0 | 0 | 111.7 | L241 A587 G588 F594 K595 | L241-L591 HydrophobicContact CB-CD2 4.41Å; L241-L591 HydrophobicContact CD2-CD2 4.25Å; A587-L591 WeakPolarHBondContact O-CG 3.49Å; A587-L591 PolarHBondContact O-N 2.99Å; G588-L591 PolarHBondContact O-N 3.28Å; L591-F594 CarbonylContact O-C 3.46Å; L591-F594 PolarHBondContact O-N 3.26Å; L591-K595 WeakPolarHBondContact O-CA 3.44Å; L591-K595 PolarHBondContact O-N 2.87Å |
| 592 | D | 97.6 | Very high | 97.9 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 54% | 0.535 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.5 | -74.5 | -17.6 | 0 | 0 | 0 | 111.5 | G588 L590 F594 K595 | G588-D592 PolarHBondContact O-N 3.35Å; L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.3Å; D592-F594 VanDerWaalsContact C-N 3.29Å; D592-F594 PolarHBondContact O-N 3.43Å; D592-K595 WeakPolarHBondContact O-CB 3.23Å; D592-K595 PolarHBondContact O-N 3.4Å |
| 593 | Y | 97.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.1 | -43.1 | 175.5 | -172.9 | -80.8 | 0 | 0 | 0 | 112.1 | F444 L445 F529 L545 P589 L590 | F444-Y593 WeakPolarHBondContact CE1-OH 3.18Å; L445-Y593 HydrophobicContact CD2-CD1 4.13Å; L445-Y593 HydrophobicContact CD2-CE1 3.79Å; F529-Y593 AromaticContact CD1-CD2 3.82Å; F529-Y593 HydrophobicContact CD1-CD2 3.82Å; F529-Y593 AromaticContact CD1-CG 3.9Å; F529-Y593 HydrophobicContact CD1-CG 3.9Å; F529-Y593 AromaticContact CE1-CD1 3.81Å; F529-Y593 HydrophobicContact CE1-CD1 3.81Å; F529-Y593 AromaticContact CE1-CD2 3.49Å; F529-Y593 HydrophobicContact CE1-CD2 3.49Å; F529-Y593 VanDerWaalsContact CE1-CD2 3.49Å; F529-Y593 HydrophobicContact CE1-CE1 4.26Å; F529-Y593 AromaticContact CE1-CE2 3.93Å; F529-Y593 HydrophobicContact CE1-CE2 3.93Å; F529-Y593 AromaticContact CE1-CG 3.42Å; F529-Y593 HydrophobicContact CE1-CG 3.42Å; F529-Y593 VanDerWaalsContact CE1-CG 3.42Å; F529-Y593 HydrophobicContact CZ-CD1 4.37Å; F529-Y593 HydrophobicContact CZ-CG 4.35Å; L545-Y593 HydrophobicContact CB-CD2 4.32Å; L545-Y593 HydrophobicContact CD2-CD2 4.3Å; L545-Y593 HydrophobicContact CG-CD2 3.99Å; P589-Y593 PolarHBondContact O-N 2.9Å; L590-Y593 WeakPolarHBondContact O-CB 3.46Å; L590-Y593 PolarHBondContact O-N 3.41Å |
| 594 | F | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 7 | -177.7 | -70.9 | -70.5 | 0 | 0 | 0 | 114.4 | L241 L445 Q448 A449 I452 V453 F529 L590 L591 D592 K596 L597 Y598 | L241-F594 HydrophobicContact CD2-CB 3.63Å; L241-F594 HydrophobicContact CD2-CD2 4.36Å; L241-F594 HydrophobicContact CD2-CG 4.18Å; L445-F594 HydrophobicContact CD2-CD1 4.32Å; Q448-F594 HydrophobicContact CB-CE1 3.83Å; Q448-F594 HydrophobicContact CB-CZ 4.03Å; A449-F594 HydrophobicContact CB-CD1 4Å; A449-F594 HydrophobicContact CB-CE1 3.71Å; A449-F594 HydrophobicContact CB-CZ 4.4Å; I452-F594 HydrophobicContact CB-CE2 4.42Å; I452-F594 HydrophobicContact CB-CZ 4.17Å; I452-F594 HydrophobicContact CD1-CZ 4.24Å; I452-F594 HydrophobicContact CG2-CE2 4.1Å; I452-F594 HydrophobicContact CG2-CZ 4.33Å; V453-F594 HydrophobicContact CG2-CD1 4.49Å; V453-F594 HydrophobicContact CG2-CD2 3.74Å; V453-F594 HydrophobicContact CG2-CE1 4.42Å; V453-F594 HydrophobicContact CG2-CE2 3.66Å; V453-F594 HydrophobicContact CG2-CG 4.17Å; V453-F594 HydrophobicContact CG2-CZ 4.02Å; F529-F594 HydrophobicContact CE1-CE2 4.4Å; F529-F594 HydrophobicContact CE2-CE2 4.31Å; F529-F594 AromaticContact CZ-CE2 3.73Å; F529-F594 HydrophobicContact CZ-CE2 3.73Å; F529-F594 HydrophobicContact CZ-CZ 4.34Å; L590-F594 HydrophobicContact CD2-CD2 4.15Å; L590-F594 HydrophobicContact CG-CD2 4.38Å; L590-F594 WeakPolarHBondContact O-CD2 3.34Å; L590-F594 PolarHBondContact O-N 2.89Å; L591-F594 CarbonylContact O-C 3.46Å; L591-F594 PolarHBondContact O-N 3.26Å; D592-F594 VanDerWaalsContact C-N 3.29Å; D592-F594 PolarHBondContact O-N 3.43Å; F594-K596 VanDerWaalsContact C-N 3.35Å; F594-K596 PolarHBondContact O-N 3.3Å; F594-L597 HydrophobicContact CD1-CD2 4.13Å; F594-L597 PolarHBondContact O-N 2.94Å; F594-L597 VanDerWaalsContact O-N 3.11Å; F594-Y598 PolarHBondContact O-N 3.08Å |
| 595 | K | 97.9 | Very high | 98.3 | Very high | 93 Ų | 93 | 39 Ų | 39 | 40% | 0.404 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57 | -44.5 | -171.4 | -176.9 | 61.9 | 172.7 | 73.1 | 0 | 113.4 | L591 D592 Y598 D599 | L591-K595 WeakPolarHBondContact O-CA 3.44Å; L591-K595 PolarHBondContact O-N 2.87Å; D592-K595 WeakPolarHBondContact O-CB 3.23Å; D592-K595 PolarHBondContact O-N 3.4Å; K595-Y598 WeakPolarHBondContact O-CB 3.1Å; K595-Y598 PolarHBondContact O-N 2.92Å; K595-D599 IonicContact NZ-OD1 2.75Å; K595-D599 PolarHBondContact NZ-OD1 3.36Å; K595-D599 IonicContact NZ-OD2 2.94Å; K595-D599 PolarHBondContact NZ-OD2 3.41Å; K595-D599 PolarHBondContact O-N 2.93Å |
| 596 | K | 98.1 | Very high | 98.3 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.1 | -75.1 | 179.8 | 168.6 | -179.4 | 0 | 112.4 | E441 L445 D544 F594 W600 | E441-K596 WeakPolarHBondContact OE1-CD 3.37Å; E441-K596 IonicContact OE1-NZ 2.77Å; E441-K596 PolarHBondContact OE1-NZ 3.1Å; E441-K596 WeakPolarHBondContact OE2-CD 3.46Å; E441-K596 IonicContact OE2-NZ 3.32Å; E441-K596 PolarHBondContact OE2-NZ 2.99Å; L445-K596 HydrophobicContact CD1-CB 3.9Å; D544-K596 VanDerWaalsContact CG-CE 3.4Å; D544-K596 VanDerWaalsContact CG-NZ 3.35Å; D544-K596 WeakPolarHBondContact OD1-CE 3.42Å; D544-K596 IonicContact OD1-NZ 3.64Å; D544-K596 WeakPolarHBondContact OD2-CE 3.49Å; D544-K596 IonicContact OD2-NZ 2.6Å; D544-K596 PolarHBondContact OD2-NZ 3.31Å; F594-K596 VanDerWaalsContact C-N 3.35Å; F594-K596 PolarHBondContact O-N 3.3Å; K596-W600 WeakPolarHBondContact O-CB 3.26Å; K596-W600 PolarHBondContact O-N 3.46Å |
| 597 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | 175.5 | 178.8 | 69.4 | 0 | 0 | 0 | 111 | I442 L445 L446 A449 F594 D599 W600 L601 | I442-L597 HydrophobicContact CG2-CD1 4.35Å; L445-L597 HydrophobicContact CB-CB 3.84Å; L445-L597 HydrophobicContact CB-CD1 4.46Å; L445-L597 HydrophobicContact CB-CD2 4.23Å; L445-L597 HydrophobicContact CB-CG 4.39Å; L445-L597 HydrophobicContact CD1-CB 4.12Å; L445-L597 WeakPolarHBondContact O-CD2 3.32Å; L446-L597 HydrophobicContact CB-CD1 4.13Å; L446-L597 HydrophobicContact CD1-CD1 4.35Å; A449-L597 HydrophobicContact CB-CD2 3.42Å; A449-L597 VanDerWaalsContact CB-CD2 3.42Å; F594-L597 HydrophobicContact CD1-CD2 4.13Å; F594-L597 PolarHBondContact O-N 2.94Å; F594-L597 VanDerWaalsContact O-N 3.11Å; L597-D599 PolarHBondContact O-N 3.05Å; L597-W600 HydrophobicContact CD1-CE3 4.35Å; L597-W600 PolarHBondContact O-N 3.15Å; L597-L601 HydrophobicContact CD1-CD1 4.23Å; L597-L601 HydrophobicContact CD1-CG 4.07Å; L597-L601 HydrophobicContact CD2-CD1 4.19Å; L597-L601 HydrophobicContact CG-CD1 3.76Å; L597-L601 HydrophobicContact CG-CG 4.08Å; L597-L601 WeakPolarHBondContact O-CB 3.47Å; L597-L601 VanDerWaalsContact O-CG 3.23Å; L597-L601 WeakPolarHBondContact O-CG 3.26Å; L597-L601 PolarHBondContact O-N 2.75Å |
| 598 | Y | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 177.8 | -178.3 | -128.7 | 0 | 0 | 0 | 112 | P240 L241 E244 F594 K595 L601 K602 | P240-Y598 HydrophobicContact CB-CE2 4.38Å; L241-Y598 HydrophobicContact CB-CD2 4.11Å; L241-Y598 HydrophobicContact CB-CE2 4.49Å; L241-Y598 HydrophobicContact CD1-CD2 3.89Å; L241-Y598 HydrophobicContact CD1-CG 4.26Å; E244-Y598 HydrophobicContact CB-CD2 4.43Å; E244-Y598 HydrophobicContact CB-CE2 4.41Å; E244-Y598 HydrophobicContact CG-CD2 4.16Å; E244-Y598 HydrophobicContact CG-CE2 3.71Å; F594-Y598 PolarHBondContact O-N 3.08Å; K595-Y598 WeakPolarHBondContact O-CB 3.1Å; K595-Y598 PolarHBondContact O-N 2.92Å; Y598-L601 PolarHBondContact O-N 3Å; Y598-K602 HydrophobicContact CD1-CD 4.27Å; Y598-K602 HydrophobicContact CD2-CD 4.32Å; Y598-K602 HydrophobicContact CD2-CG 4.41Å; Y598-K602 HydrophobicContact CE1-CD 3.82Å; Y598-K602 HydrophobicContact CE2-CD 3.86Å; Y598-K602 HydrophobicContact CE2-CG 4.11Å; Y598-K602 WeakPolarHBondContact O-CG 3.4Å; Y598-K602 PolarHBondContact O-N 2.9Å |
| 599 | D | 98.7 | Very high | 98.3 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 178.7 | -67.1 | -24.1 | 0 | 0 | 0 | 111.1 | K595 L597 L601 K602 E603 | K595-D599 IonicContact NZ-OD1 2.75Å; K595-D599 PolarHBondContact NZ-OD1 3.36Å; K595-D599 IonicContact NZ-OD2 2.94Å; K595-D599 PolarHBondContact NZ-OD2 3.41Å; K595-D599 PolarHBondContact O-N 2.93Å; L597-D599 PolarHBondContact O-N 3.05Å; D599-L601 PolarHBondContact O-N 3.21Å; D599-K602 PolarHBondContact O-N 2.84Å; D599-E603 WeakPolarHBondContact O-CG 3.21Å; D599-E603 PolarHBondContact O-N 3.13Å |
| 600 | W | 98.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 61.4 Ų | 61.4 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.3 | -178.1 | 94.5 | 0 | 0 | 0 | 112.5 | Y248 P289 Y290 I442 K596 L597 K602 E603 N604 | Y248-W600 HydrophobicContact CD2-CH2 4.26Å; Y248-W600 HydrophobicContact CD2-CZ3 4Å; Y248-W600 AromaticContact CE2-CH2 3.57Å; Y248-W600 HydrophobicContact CE2-CH2 3.57Å; Y248-W600 AromaticContact CE2-CZ3 3.73Å; Y248-W600 HydrophobicContact CE2-CZ3 3.73Å; Y248-W600 AromaticContact CZ-CH2 3.96Å; P289-W600 HydrophobicContact CB-CH2 3.55Å; P289-W600 HydrophobicContact CB-CZ2 3.64Å; P289-W600 HydrophobicContact CB-CZ3 4.45Å; P289-W600 HydrophobicContact CG-CH2 3.66Å; P289-W600 HydrophobicContact CG-CZ2 4.18Å; P289-W600 HydrophobicContact CG-CZ3 4.11Å; Y290-W600 HydrophobicContact CE2-CZ2 4.23Å; Y290-W600 AromaticContact CE2-NE1 3.92Å; Y290-W600 AromaticContact CZ-NE1 3.81Å; Y290-W600 PolarHBondContact OH-NE1 2.75Å; I442-W600 HydrophobicContact CD1-CB 3.56Å; I442-W600 HydrophobicContact CD1-CD2 4.46Å; I442-W600 HydrophobicContact CD1-CG 3.75Å; I442-W600 HydrophobicContact CG1-CB 4.35Å; I442-W600 HydrophobicContact CG1-CG 4.03Å; I442-W600 HydrophobicContact CG2-CD2 3.71Å; I442-W600 HydrophobicContact CG2-CE3 4.02Å; I442-W600 HydrophobicContact CG2-CG 4.05Å; I442-W600 HydrophobicContact CG2-CZ2 4.22Å; I442-W600 HydrophobicContact CG2-CZ3 4.41Å; K596-W600 WeakPolarHBondContact O-CB 3.26Å; K596-W600 PolarHBondContact O-N 3.46Å; L597-W600 HydrophobicContact CD1-CE3 4.35Å; L597-W600 PolarHBondContact O-N 3.15Å; W600-K602 PolarHBondContact O-N 3.03Å; W600-E603 PolarHBondContact O-N 3.48Å; W600-N604 HydrophobicContact CD2-CB 4.34Å; W600-N604 HydrophobicContact CE3-CB 4.22Å; W600-N604 HydrophobicContact CH2-CB 4.12Å; W600-N604 HydrophobicContact CZ2-CB 4.24Å; W600-N604 VanDerWaalsContact CZ2-ND2 3.27Å; W600-N604 WeakPolarHBondContact CZ2-ND2 3.38Å; W600-N604 HydrophobicContact CZ3-CB 4.11Å; W600-N604 WeakPolarHBondContact O-CB 3.28Å; W600-N604 PolarHBondContact O-N 3.26Å |
| 601 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 179 | -75.8 | 168.1 | 0 | 0 | 0 | 110.9 | L241 E244 L245 Y248 L597 Y598 D599 N604 N605 | L241-L601 HydrophobicContact CD1-CD1 4.37Å; E244-L601 HydrophobicContact CB-CB 3.91Å; E244-L601 HydrophobicContact CB-CD1 4.34Å; L245-L601 HydrophobicContact CB-CD1 4.15Å; L245-L601 HydrophobicContact CD1-CD1 4.48Å; Y248-L601 HydrophobicContact CD1-CD2 4.1Å; Y248-L601 HydrophobicContact CD2-CD2 4.05Å; Y248-L601 HydrophobicContact CG-CD2 3.61Å; L597-L601 HydrophobicContact CD1-CD1 4.23Å; L597-L601 HydrophobicContact CD1-CG 4.07Å; L597-L601 HydrophobicContact CD2-CD1 4.19Å; L597-L601 HydrophobicContact CG-CD1 3.76Å; L597-L601 HydrophobicContact CG-CG 4.08Å; L597-L601 WeakPolarHBondContact O-CB 3.47Å; L597-L601 VanDerWaalsContact O-CG 3.23Å; L597-L601 WeakPolarHBondContact O-CG 3.26Å; L597-L601 PolarHBondContact O-N 2.75Å; Y598-L601 PolarHBondContact O-N 3Å; D599-L601 PolarHBondContact O-N 3.21Å; L601-N604 PolarHBondContact O-N 3.12Å; L601-N605 WeakPolarHBondContact O-CB 3.22Å; L601-N605 PolarHBondContact O-N 3.45Å; L601-N605 PolarHBondContact O-ND2 3.47Å |
| 602 | K | 98.8 | Very high | 98.2 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.1 | -51.4 | 176.4 | -74.8 | 176 | 64 | -177 | 0 | 111.8 | E244 Y598 D599 W600 N604 N605 Q606 | E244-K602 HydrophobicContact CG-CG 3.78Å; Y598-K602 HydrophobicContact CD1-CD 4.27Å; Y598-K602 HydrophobicContact CD2-CD 4.32Å; Y598-K602 HydrophobicContact CD2-CG 4.41Å; Y598-K602 HydrophobicContact CE1-CD 3.82Å; Y598-K602 HydrophobicContact CE2-CD 3.86Å; Y598-K602 HydrophobicContact CE2-CG 4.11Å; Y598-K602 WeakPolarHBondContact O-CG 3.4Å; Y598-K602 PolarHBondContact O-N 2.9Å; D599-K602 PolarHBondContact O-N 2.84Å; W600-K602 PolarHBondContact O-N 3.03Å; K602-N604 VanDerWaalsContact C-N 3.33Å; K602-N604 PolarHBondContact O-N 3.38Å; K602-N605 PolarHBondContact O-N 3.21Å; K602-Q606 VanDerWaalsContact O-CB 3.25Å; K602-Q606 WeakPolarHBondContact O-CB 3.3Å; K602-Q606 PolarHBondContact O-N 3.35Å |
| 603 | E | 98.6 | Very high | 98.1 | Very high | 134 Ų | 134 | 59.7 Ų | 59.7 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 178.9 | -70.8 | 180 | -175.4 | 0 | 0 | 111.4 | D599 W600 Q606 K607 | D599-E603 WeakPolarHBondContact O-CG 3.21Å; D599-E603 PolarHBondContact O-N 3.13Å; W600-E603 PolarHBondContact O-N 3.48Å; E603-Q606 PolarHBondContact O-N 3.13Å; E603-K607 VanDerWaalsContact O-CB 3.23Å; E603-K607 WeakPolarHBondContact O-CB 3.42Å; E603-K607 PolarHBondContact O-N 3.17Å |
| 604 | N | 98.4 | Very high | 98.2 | Very high | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.4 | -44.6 | -179.7 | -163.5 | -82.3 | 0 | 0 | 0 | 111.8 | W600 L601 K602 K607 H608 R610 | W600-N604 HydrophobicContact CD2-CB 4.34Å; W600-N604 HydrophobicContact CE3-CB 4.22Å; W600-N604 HydrophobicContact CH2-CB 4.12Å; W600-N604 HydrophobicContact CZ2-CB 4.24Å; W600-N604 VanDerWaalsContact CZ2-ND2 3.27Å; W600-N604 WeakPolarHBondContact CZ2-ND2 3.38Å; W600-N604 HydrophobicContact CZ3-CB 4.11Å; W600-N604 WeakPolarHBondContact O-CB 3.28Å; W600-N604 PolarHBondContact O-N 3.26Å; L601-N604 PolarHBondContact O-N 3.12Å; K602-N604 VanDerWaalsContact C-N 3.33Å; K602-N604 PolarHBondContact O-N 3.38Å; N604-K607 PolarHBondContact O-N 2.93Å; N604-H608 PolarHBondContact O-N 3.43Å; N604-H608 VanDerWaalsContact O-N 3.16Å; N604-H608 PolarHBondContact O-ND1 3.2Å; N604-H608 PolarHBondContact OD1-ND1 3.25Å; N604-R610 PolarHBondContact OD1-NH1 2.97Å; N604-R610 PolarHBondContact OD1-NH2 3.02Å |
| 605 | N | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.011 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.4 | -72.7 | -21.3 | 0 | 0 | 0 | 111.3 | E244 L601 K602 H608 S609 R610 V612 | E244-N605 PolarHBondContact O-ND2 2.95Å; E244-N605 PolarHBondContact OE2-ND2 3.41Å; L601-N605 WeakPolarHBondContact O-CB 3.22Å; L601-N605 PolarHBondContact O-N 3.45Å; L601-N605 PolarHBondContact O-ND2 3.47Å; K602-N605 PolarHBondContact O-N 3.21Å; N605-H608 CarbonylContact O-C 3.57Å; N605-H608 PolarHBondContact O-N 2.88Å; N605-S609 PolarHBondContact O-N 3.29Å; N605-R610 HydrophobicContact CB-CB 4.25Å; N605-R610 PolarHBondContact O-N 3.3Å; N605-R610 WeakPolarHBondContact OD1-CD 3.49Å; N605-R610 PolarHBondContact OD1-NH1 3.27Å; N605-V612 HydrophobicContact CB-CG2 4.44Å |
| 606 | Q | 98.2 | Very high | 98 | Very high | 158 Ų | 158 | 64.6 Ų | 64.6 | 74% | 0.738 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 177 | -161.9 | 175 | 21.5 | 0 | 0 | 111.8 | K602 E603 H608 S609 | K602-Q606 VanDerWaalsContact O-CB 3.25Å; K602-Q606 WeakPolarHBondContact O-CB 3.3Å; K602-Q606 PolarHBondContact O-N 3.35Å; E603-Q606 PolarHBondContact O-N 3.13Å; Q606-H608 PolarHBondContact O-N 3.16Å; Q606-S609 PolarHBondContact O-N 3.38Å; Q606-S609 VanDerWaalsContact O-N 3.1Å |
| 607 | K | 98.2 | Very high | 97.8 | Very high | 169 Ų | 169 | 66.9 Ų | 66.9 | 74% | 0.735 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.1 | -36.7 | 176.2 | -179.9 | 179.6 | 176.6 | -177.5 | 0 | 112.6 | E603 N604 | E603-K607 VanDerWaalsContact O-CB 3.23Å; E603-K607 WeakPolarHBondContact O-CB 3.42Å; E603-K607 PolarHBondContact O-N 3.17Å; N604-K607 PolarHBondContact O-N 2.93Å |
| 608 | H | 97.8 | Very high | 97.5 | Very high | 97 Ų | 97 | 68.5 Ų | 68.5 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 10.6 | -179.7 | -60.4 | 91.1 | 0 | 0 | 0 | 113.5 | N604 N605 Q606 R610 | N604-H608 PolarHBondContact O-N 3.43Å; N604-H608 VanDerWaalsContact O-N 3.16Å; N604-H608 PolarHBondContact O-ND1 3.2Å; N604-H608 PolarHBondContact OD1-ND1 3.25Å; N605-H608 CarbonylContact O-C 3.57Å; N605-H608 PolarHBondContact O-N 2.88Å; Q606-H608 PolarHBondContact O-N 3.16Å; H608-R610 HydrophobicContact CB-CG 4.09Å; H608-R610 PolarHBondContact O-N 2.79Å |
| 609 | S | 97.3 | Very high | 97.1 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 78% | 0.776 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 36.8 | 179.2 | -58 | 0 | 0 | 0 | 0 | 114 | N605 Q606 | N605-S609 PolarHBondContact O-N 3.29Å; Q606-S609 PolarHBondContact O-N 3.38Å; Q606-S609 VanDerWaalsContact O-N 3.1Å |
| 610 | R | 97.7 | Very high | 96.6 | Very high | 39 Ų | 39 | 65.4 Ų | 65.4 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 136.3 | 178.9 | -63.3 | 176.5 | -168.9 | 137.6 | -1.7 | 110.1 | S251 N604 N605 H608 V612 | S251-R610 VanDerWaalsContact CB-CD 3.5Å; S251-R610 VanDerWaalsContact CB-NE 3.3Å; S251-R610 WeakPolarHBondContact OG-CD 3.39Å; S251-R610 VanDerWaalsContact OG-CZ 3.26Å; S251-R610 PolarHBondContact OG-NE 3.35Å; N604-R610 PolarHBondContact OD1-NH1 2.97Å; N604-R610 PolarHBondContact OD1-NH2 3.02Å; N605-R610 HydrophobicContact CB-CB 4.25Å; N605-R610 PolarHBondContact O-N 3.3Å; N605-R610 WeakPolarHBondContact OD1-CD 3.49Å; N605-R610 PolarHBondContact OD1-NH1 3.27Å; H608-R610 HydrophobicContact CB-CG 4.09Å; H608-R610 PolarHBondContact O-N 2.79Å; R610-V612 PolarHBondContact O-N 3.16Å |
| 611 | A | 97.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 130.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A247 R250 Q264 | A247-A611 WeakPolarHBondContact CB-O 3.12Å; R250-A611 PolarHBondContact NH2-O 3.4Å; Q264-A611 HydrophobicContact CG-CB 3.88Å |
| 612 | V | 98.3 | Very high | 95.6 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -96 | 133.5 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | K243 E244 A247 N605 R610 | K243-V612 HydrophobicContact CB-CG1 3.79Å; E244-V612 HydrophobicContact CG-CG1 4.49Å; E244-V612 WeakPolarHBondContact OE2-CG2 3.23Å; A247-V612 HydrophobicContact CB-CG2 4.26Å; N605-V612 HydrophobicContact CB-CG2 4.44Å; R610-V612 PolarHBondContact O-N 3.16Å |
| 613 | G | 96.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 11% | 0.113 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 83.2 | -168.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R250 | R250-G613 PolarHBondContact NH1-O 2.62Å; R250-G613 PolarHBondContact NH2-O 3.09Å |
| 614 | W | 98.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | trans | -149.2 | 156.4 | -173.9 | 51.8 | 87.6 | 0 | 0 | 0 | 111.9 | M239 Y242 K243 H246 Q264 R488 G492 | M239-W614 HydrophobicContact CE-CH2 3.68Å; M239-W614 HydrophobicContact CE-CZ2 4.1Å; Y242-W614 AromaticContact CD1-CH2 3.94Å; Y242-W614 HydrophobicContact CD1-CH2 3.94Å; Y242-W614 HydrophobicContact CD1-CZ3 4.28Å; Y242-W614 AromaticContact CE1-CH2 3.6Å; Y242-W614 HydrophobicContact CE1-CH2 3.6Å; Y242-W614 AromaticContact CE1-CZ3 3.94Å; Y242-W614 HydrophobicContact CE1-CZ3 3.94Å; K243-W614 HydrophobicContact CG-CH2 4.2Å; K243-W614 HydrophobicContact CG-CZ3 3.95Å; H246-W614 HydrophobicContact CB-CZ3 4.12Å; H246-W614 AromaticContact CD2-CE3 3.88Å; H246-W614 AromaticContact CD2-CZ3 3.8Å; H246-W614 AromaticContact CE1-CE3 3.71Å; H246-W614 AromaticContact CG-CE3 3.82Å; H246-W614 AromaticContact CG-CZ3 3.76Å; H246-W614 AromaticContact ND1-CE3 3.7Å; H246-W614 AromaticContact NE2-CE3 3.81Å; Q264-W614 CarbonylContact O-C 3.56Å; Q264-W614 VanDerWaalsContact O-CA 3.27Å; Q264-W614 WeakPolarHBondContact O-CA 3.31Å; R488-W614 VanDerWaalsContact O-CD1 3.31Å; R488-W614 PolarHBondContact O-NE1 3.46Å; G492-W614 VanDerWaalsContact CA-CD2 3.44Å; G492-W614 VanDerWaalsContact CA-CZ2 3.49Å; G492-W614 VanDerWaalsContact CA-NE1 3.28Å | ||
| 615 | K | 97.4 | Very high | 94.3 | Very high | 109 Ų | 109 | 63.8 Ų | 63.8 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | trans | -96.3 | 112.4 | 172.3 | -69.4 | 174.9 | 173.7 | 173 | 0 | 109.4 | Q264 P266 T617 V618 | Q264-K615 HydrophobicContact CB-CD 4.28Å; Q264-K615 PolarHBondContact O-N 2.93Å; Q264-K615 VanDerWaalsContact OE1-CE 3.23Å; P266-K615 VanDerWaalsContact CD-O 3.31Å; P266-K615 WeakPolarHBondContact CD-O 3.2Å; K615-T617 PolarHBondContact O-N 2.88Å; K615-T617 VanDerWaalsContact O-N 3.14Å; K615-V618 HydrophobicContact CB-CG2 3.85Å; K615-V618 PolarHBondContact O-N 3.46Å; K615-V618 VanDerWaalsContact O-N 3.11Å | ||
| 616 | T | 95.7 | Very high | 94.1 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.7 | -174 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | R488 E489 V618 | R488-T616 HydrophobicContact CB-CG2 4.39Å; R488-T616 PolarHBondContact NH1-O 3.2Å; E489-T616 HydrophobicContact CG-CG2 3.96Å; T616-V618 VanDerWaalsContact C-N 3.27Å; T616-V618 PolarHBondContact O-N 2.93Å |
| 617 | T | 92.4 | Very high | 93.9 | Very high | 118 Ų | 118 | 58.8 Ų | 58.8 | 72% | 0.724 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.4 | 179.1 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | K615 | K615-T617 PolarHBondContact O-N 2.88Å; K615-T617 VanDerWaalsContact O-N 3.14Å |
| 618 | V | 93.4 | Very high | 93.8 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 21% | 0.212 | 28% | 0.277 | C | S | . | . | trans | -86.8 | 132 | 179.3 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | D262 P266 R488 K615 T616 | D262-V618 HydrophobicContact CB-CG1 3.55Å; P266-V618 WeakPolarHBondContact CD-O 3.14Å; P266-V618 WeakPolarHBondContact CG-O 3.41Å; R488-V618 PolarHBondContact NH1-O 2.93Å; K615-V618 HydrophobicContact CB-CG2 3.85Å; K615-V618 PolarHBondContact O-N 3.46Å; K615-V618 VanDerWaalsContact O-N 3.11Å; T616-V618 VanDerWaalsContact C-N 3.27Å; T616-V618 PolarHBondContact O-N 2.93Å | ||
| 619 | D | 91.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | trans | -147 | 166.3 | 176.8 | 68.2 | 59.7 | 0 | 0 | 0 | 112 | V494 Y621 S622 | V494-D619 HydrophobicContact CG2-CB 3.8Å; D619-Y621 HydrophobicContact CB-CD1 4.45Å; D619-Y621 HydrophobicContact CB-CE1 4.03Å; D619-Y621 HydrophobicContact CB-CE2 4.37Å; D619-Y621 PolarHBondContact O-N 3.08Å; D619-Y621 VanDerWaalsContact OD1-CD2 3.3Å; D619-Y621 WeakPolarHBondContact OD1-CD2 3.33Å; D619-Y621 WeakPolarHBondContact OD1-CE2 3.32Å; D619-Y621 PolarHBondContact OD1-N 3.11Å; D619-S622 WeakPolarHBondContact OD1-CA 3.47Å; D619-S622 WeakPolarHBondContact OD1-CB 3.25Å; D619-S622 PolarHBondContact OD1-N 3.06Å; D619-S622 PolarHBondContact OD1-OG 3.46Å; D619-S622 VanDerWaalsContact OD1-OG 3.08Å; D619-S622 WeakPolarHBondContact OD2-CB 3.48Å; D619-S622 PolarHBondContact OD2-OG 2.68Å | ||
| 620 | P | 88.1 | Confident | 93.7 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -74.9 | -14.1 | -176.5 | -22.6 | 37.7 | 0 | 0 | 0 | 115.9 | V494 | V494-P620 HydrophobicContact CG1-CG 4.44Š|
| 621 | Y | 89 | Confident | 93.6 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -117.2 | -24.2 | -164.9 | 51.1 | -103.3 | 0 | 0 | 0 | 114.9 | R488 E495 P498 D619 Q623 Y624 A625 Y680 | R488-Y621 PolarHBondContact NH2-OH 3.15Å; E495-Y621 HydrophobicContact CG-CE1 4.28Å; E495-Y621 PolarHBondContact OE1-OH 2.85Å; P498-Y621 HydrophobicContact CB-CE2 4.41Å; P498-Y621 HydrophobicContact CG-CD1 4.02Å; P498-Y621 HydrophobicContact CG-CD2 3.73Å; P498-Y621 HydrophobicContact CG-CE1 4.05Å; P498-Y621 HydrophobicContact CG-CE2 3.78Å; P498-Y621 HydrophobicContact CG-CG 3.86Å; D619-Y621 HydrophobicContact CB-CD1 4.45Å; D619-Y621 HydrophobicContact CB-CE1 4.03Å; D619-Y621 HydrophobicContact CB-CE2 4.37Å; D619-Y621 PolarHBondContact O-N 3.08Å; D619-Y621 VanDerWaalsContact OD1-CD2 3.3Å; D619-Y621 WeakPolarHBondContact OD1-CD2 3.33Å; D619-Y621 WeakPolarHBondContact OD1-CE2 3.32Å; D619-Y621 PolarHBondContact OD1-N 3.11Å; Y621-Q623 PolarHBondContact O-N 2.74Å; Y621-Y624 WeakPolarHBondContact O-CB 3.31Å; Y621-Y624 PolarHBondContact O-N 3.02Å; Y621-A625 PolarHBondContact O-N 3.42Å; Y621-Y680 AromaticContact CD2-CE1 3.96Å; Y621-Y680 HydrophobicContact CD2-CE1 3.96Å; Y621-Y680 HydrophobicContact CD2-CE2 4.32Å; Y621-Y680 AromaticContact CD2-CZ 3.74Å; Y621-Y680 HydrophobicContact CE2-CD2 4.2Å; Y621-Y680 HydrophobicContact CE2-CE1 4.04Å; Y621-Y680 AromaticContact CE2-CE2 3.69Å; Y621-Y680 HydrophobicContact CE2-CE2 3.69Å; Y621-Y680 AromaticContact CE2-CZ 3.59Å |
| 622 | S | 87.8 | Confident | 93.4 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -63.8 | -26.2 | -174.5 | -79.9 | 0 | 0 | 0 | 0 | 113.1 | D619 Y624 A625 Y680 | D619-S622 WeakPolarHBondContact OD1-CA 3.47Å; D619-S622 WeakPolarHBondContact OD1-CB 3.25Å; D619-S622 PolarHBondContact OD1-N 3.06Å; D619-S622 PolarHBondContact OD1-OG 3.46Å; D619-S622 VanDerWaalsContact OD1-OG 3.08Å; D619-S622 WeakPolarHBondContact OD2-CB 3.48Å; D619-S622 PolarHBondContact OD2-OG 2.68Å; S622-Y624 PolarHBondContact O-N 2.73Å; S622-A625 WeakPolarHBondContact O-CB 3.34Å; S622-A625 PolarHBondContact O-N 2.83Å; S622-Y680 PolarHBondContact OG-OH 3.38Å |
| 623 | Q | 86.8 | Confident | 93.2 | Very high | 125 Ų | 125 | 51.1 Ų | 51.1 | 58% | 0.584 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -63.7 | -28.5 | 172.1 | 65.4 | -179.5 | -27.5 | 0 | 0 | 113 | Y621 | Y621-Q623 PolarHBondContact O-N 2.74Š|
| 624 | Y | 89.6 | Confident | 93 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -91 | -10.6 | 177.9 | -54.4 | -70.8 | 0 | 0 | 0 | 112.6 | Y621 S622 Y701 | Y621-Y624 WeakPolarHBondContact O-CB 3.31Å; Y621-Y624 PolarHBondContact O-N 3.02Å; S622-Y624 PolarHBondContact O-N 2.73Å; Y624-Y701 VanDerWaalsContact CD2-CB 3.49Å; Y624-Y701 AromaticContact CD2-CD2 3.86Å; Y624-Y701 HydrophobicContact CD2-CD2 3.86Å; Y624-Y701 AromaticContact CD2-CG 3.8Å; Y624-Y701 HydrophobicContact CD2-CG 3.8Å; Y624-Y701 HydrophobicContact CE2-CD2 4.03Å; Y624-Y701 HydrophobicContact CE2-CG 4.29Å; Y624-Y701 HydrophobicContact CG-CG 4.34Å |
| 625 | A | 92.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | trans | -78.2 | 148.2 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y621 S622 Y680 Y689 M690 K704 | Y621-A625 PolarHBondContact O-N 3.42Å; S622-A625 WeakPolarHBondContact O-CB 3.34Å; S622-A625 PolarHBondContact O-N 2.83Å; A625-Y680 HydrophobicContact CB-CE1 4.24Å; A625-Y680 WeakPolarHBondContact CB-OH 3.05Å; A625-Y689 HydrophobicContact CB-CD1 4.19Å; A625-M690 WeakPolarHBondContact CA-O 3.35Å; A625-K704 WeakPolarHBondContact O-CE 3.38Å; A625-K704 PolarHBondContact O-NZ 3.36Å | ||
| 626 | T | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.4 | 172 | -61.2 | 0 | 0 | 0 | 0 | 109.1 | M690 F731 I734 | T626-M690 HydrophobicContact CG2-CE 4.09Å; T626-M690 PolarHBondContact N-O 3.21Å; T626-M690 PolarHBondContact O-N 3.45Å; T626-F731 HydrophobicContact CG2-CB 4.33Å; T626-F731 HydrophobicContact CG2-CD1 4.48Å; T626-I734 HydrophobicContact CG2-CD1 4.21Å |
| 627 | K | 94.9 | Very high | 92.3 | Very high | 54 Ų | 54 | 50 Ų | 50 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 133.5 | 177.7 | -171.9 | 171.6 | -165.9 | 145.7 | 0 | 110.3 | Y689 V732 | K627-Y689 HydrophobicContact CB-CD1 3.84Å; K627-Y689 HydrophobicContact CB-CE1 3.64Å; K627-Y689 HydrophobicContact CD-CE1 4.06Å; K627-Y689 HydrophobicContact CD-CE2 4.4Å; K627-Y689 HydrophobicContact CG-CD1 4.36Å; K627-Y689 HydrophobicContact CG-CE1 4.05Å; K627-Y689 PolarHBondContact NZ-OH 3.03Å; K627-V732 HydrophobicContact CB-CB 3.99Å; K627-V732 HydrophobicContact CB-CG2 3.91Å; K627-V732 HydrophobicContact CD-CG2 4.3Å; K627-V732 HydrophobicContact CG-CG2 4.06Å; K627-V732 PolarHBondContact O-N 2.82Å |
| 628 | V | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140 | 178.5 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | I630 F651 S687 F688 M690 L729 E730 F731 | V628-I630 HydrophobicContact CG1-CD1 4.44Å; V628-I630 HydrophobicContact CG1-CG1 4.13Å; V628-F651 HydrophobicContact CG1-CE2 4.18Å; V628-F651 HydrophobicContact CG1-CZ 4.08Å; V628-F651 HydrophobicContact CG2-CZ 3.95Å; V628-S687 WeakPolarHBondContact O-CA 3.36Å; V628-S687 WeakPolarHBondContact O-CB 3.45Å; V628-F688 HydrophobicContact CB-CD2 4.11Å; V628-F688 HydrophobicContact CB-CE1 4.5Å; V628-F688 HydrophobicContact CB-CE2 3.76Å; V628-F688 HydrophobicContact CB-CZ 3.97Å; V628-F688 HydrophobicContact CG1-CE1 4.39Å; V628-F688 HydrophobicContact CG1-CE2 4.09Å; V628-F688 HydrophobicContact CG1-CZ 3.84Å; V628-F688 HydrophobicContact CG2-CD2 4.35Å; V628-F688 HydrophobicContact CG2-CE2 3.92Å; V628-F688 PolarHBondContact N-O 2.86Å; V628-F688 PolarHBondContact O-N 3.3Å; V628-F688 VanDerWaalsContact O-N 3.17Å; V628-M690 HydrophobicContact CG2-CE 4.29Å; V628-M690 HydrophobicContact CG2-CG 3.99Å; V628-M690 HydrophobicContact CG2-SD 3.83Å; V628-L729 HydrophobicContact CG1-CD1 3.86Å; V628-E730 CarbonylContact C-O 3.05Å; V628-E730 WeakPolarHBondContact CA-O 3.44Å; V628-F731 HydrophobicContact CG1-CE1 4.5Å; V628-F731 HydrophobicContact CG2-CD1 3.89Å; V628-F731 HydrophobicContact CG2-CE1 4.04Å |
| 629 | R | 96.1 | Very high | 92.2 | Very high | 114 Ų | 114 | 58 Ų | 58 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.8 | 172.6 | -61.5 | 174.7 | 175.7 | 160 | -1.8 | 109.8 | E730 V732 | R629-E730 HydrophobicContact CB-CB 4.27Å; R629-E730 PolarHBondContact N-O 2.98Å; R629-E730 IonicContact NH1-OE2 2.67Å; R629-E730 PolarHBondContact O-N 3.37Å; R629-V732 HydrophobicContact CG-CG2 4.41Å |
| 630 | I | 95.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.5 | -176.3 | -50.1 | -169.9 | 0 | 0 | 0 | 109.6 | V628 L632 W643 I686 F688 L724 T728 L729 | V628-I630 HydrophobicContact CG1-CD1 4.44Å; V628-I630 HydrophobicContact CG1-CG1 4.13Å; I630-L632 HydrophobicContact CG2-CD2 3.67Å; I630-L632 HydrophobicContact CG2-CG 3.96Å; I630-W643 HydrophobicContact CD1-CD2 4.38Å; I630-W643 HydrophobicContact CD1-CE3 4.1Å; I630-W643 HydrophobicContact CD1-CH2 3.24Å; I630-W643 HydrophobicContact CD1-CZ2 3.56Å; I630-W643 HydrophobicContact CD1-CZ3 3.54Å; I630-W643 HydrophobicContact CG2-CZ3 4.48Å; I630-I686 HydrophobicContact CB-CB 3.97Å; I630-I686 HydrophobicContact CB-CG2 3.58Å; I630-I686 HydrophobicContact CD1-CG2 3.88Å; I630-I686 HydrophobicContact CG1-CG2 3.92Å; I630-I686 HydrophobicContact CG2-CG2 4.27Å; I630-I686 PolarHBondContact N-O 3.2Å; I630-F688 HydrophobicContact CD1-CE1 3.96Å; I630-F688 HydrophobicContact CD1-CZ 4.16Å; I630-F688 HydrophobicContact CG1-CE1 4.46Å; I630-L724 HydrophobicContact CG2-CD1 3.6Å; I630-T728 CarbonylContact C-O 3.57Å; I630-T728 WeakPolarHBondContact CA-O 3.45Å; I630-L729 HydrophobicContact CD1-CD1 3.96Å; I630-L729 HydrophobicContact CG1-CD1 3.69Å |
| 631 | S | 94.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | trans | -117.6 | 69.7 | -178.1 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | K633 A634 A635 T728 | S631-K633 PolarHBondContact O-N 3.19Å; S631-A634 PolarHBondContact O-N 2.92Å; S631-A634 VanDerWaalsContact O-N 3.11Å; S631-A635 PolarHBondContact O-N 2.92Å; S631-A635 VanDerWaalsContact O-N 3.14Å; S631-T728 PolarHBondContact N-O 3.11Å | ||
| 632 | L | 94.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | -176.1 | -62.4 | -177.5 | 0 | 0 | 0 | 113.2 | I630 A634 A635 M636 A640 Y641 W643 I686 L724 | I630-L632 HydrophobicContact CG2-CD2 3.67Å; I630-L632 HydrophobicContact CG2-CG 3.96Å; L632-A634 VanDerWaalsContact C-N 3.27Å; L632-A634 PolarHBondContact O-N 3.34Å; L632-A635 PolarHBondContact O-N 3.45Å; L632-A635 VanDerWaalsContact O-N 3.16Å; L632-M636 HydrophobicContact CD2-CE 3.96Å; L632-M636 PolarHBondContact O-N 3.08Å; L632-A640 HydrophobicContact CB-CB 4.13Å; L632-Y641 HydrophobicContact CD1-CD2 4.01Å; L632-Y641 HydrophobicContact CD1-CE2 3.83Å; L632-Y641 VanDerWaalsContact CD1-O 3.28Å; L632-Y641 WeakPolarHBondContact CD1-O 3.48Å; L632-Y641 HydrophobicContact CD2-CE1 4.24Å; L632-Y641 HydrophobicContact CD2-CE2 3.79Å; L632-Y641 WeakPolarHBondContact CD2-OH 3.3Å; L632-Y641 HydrophobicContact CG-CE2 4.49Å; L632-W643 HydrophobicContact CD1-CB 4.07Å; L632-W643 HydrophobicContact CD1-CE3 4.33Å; L632-I686 HydrophobicContact CD1-CD1 3.56Å; L632-I686 HydrophobicContact CG-CD1 3.77Å; L632-L724 HydrophobicContact CD2-CD1 4.24Å; L632-L724 HydrophobicContact CD2-CD2 4.06Å |
| 633 | K | 92.5 | Very high | 92.9 | Very high | 175 Ų | 175 | 63.6 Ų | 63.6 | 76% | 0.761 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65 | -30.2 | 178.7 | -72.3 | -166.7 | 174 | -168.8 | 0 | 113.3 | S631 G637 A640 | S631-K633 PolarHBondContact O-N 3.19Å; K633-G637 VanDerWaalsContact O-CA 3.31Å; K633-G637 WeakPolarHBondContact O-CA 3.14Å; K633-G637 PolarHBondContact O-N 3.05Å; K633-A640 HydrophobicContact CG-CB 4.34Å |
| 634 | A | 92.3 | Very high | 93.1 | Very high | 79 Ų | 79 | 61 Ų | 61 | 65% | 0.653 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.4 | -34.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S631 L632 T728 | S631-A634 PolarHBondContact O-N 2.92Å; S631-A634 VanDerWaalsContact O-N 3.11Å; L632-A634 VanDerWaalsContact C-N 3.27Å; L632-A634 PolarHBondContact O-N 3.34Å; A634-T728 HydrophobicContact CB-CG2 4.2Å |
| 635 | A | 91.5 | Very high | 93 | Very high | 42 Ų | 42 | 62 Ų | 62 | 35% | 0.347 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -76.2 | -43.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S631 L632 L724 T728 | S631-A635 PolarHBondContact O-N 2.92Å; S631-A635 VanDerWaalsContact O-N 3.14Å; L632-A635 PolarHBondContact O-N 3.45Å; L632-A635 VanDerWaalsContact O-N 3.16Å; A635-L724 HydrophobicContact CB-CD2 3.46Å; A635-L724 VanDerWaalsContact CB-CD2 3.46Å; A635-T728 HydrophobicContact CB-CG2 3.88Å |
| 636 | M | 92.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -122.6 | -3.2 | -164.4 | -66.6 | 167.9 | -118.5 | 0 | 0 | 114.5 | L632 D638 D639 A640 Y641 F722 Q723 L724 | L632-M636 HydrophobicContact CD2-CE 3.96Å; L632-M636 PolarHBondContact O-N 3.08Å; M636-D638 PolarHBondContact O-N 2.68Å; M636-D639 PolarHBondContact O-N 3.18Å; M636-D639 VanDerWaalsContact O-N 3.14Å; M636-A640 HydrophobicContact CB-CB 4.12Å; M636-Y641 HydrophobicContact CE-CD1 4.19Å; M636-Y641 HydrophobicContact CE-CE1 3.48Å; M636-Y641 VanDerWaalsContact CE-CE1 3.48Å; M636-Y641 HydrophobicContact SD-CD1 3.78Å; M636-Y641 HydrophobicContact SD-CE1 3.64Å; M636-F722 WeakPolarHBondContact CE-O 3.43Å; M636-Q723 HydrophobicContact CE-CB 4.36Å; M636-L724 HydrophobicContact CE-CD2 3.49Å; M636-L724 VanDerWaalsContact CE-CD2 3.49Å; M636-L724 HydrophobicContact CE-CG 4.32Å |
| 637 | G | 92.7 | Very high | 93.2 | Very high | 36 Ų | 36 | 69.7 Ų | 69.7 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | 59.6 | -125.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K633 D639 A640 | K633-G637 VanDerWaalsContact O-CA 3.31Å; K633-G637 WeakPolarHBondContact O-CA 3.14Å; K633-G637 PolarHBondContact O-N 3.05Å; G637-D639 VanDerWaalsContact C-N 3.32Å; G637-A640 WeakPolarHBondContact O-CB 3.48Å |
| 638 | D | 92.2 | Very high | 93.2 | Very high | 173 Ų | 173 | 67.7 Ų | 67.7 | 93% | 0.925 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -76.9 | -17.5 | -179.8 | -66.5 | -30.9 | 0 | 0 | 0 | 113.2 | M636 A640 | M636-D638 PolarHBondContact O-N 2.68Å; D638-A640 PolarHBondContact O-N 3.43Å |
| 639 | D | 91.6 | Very high | 93.1 | Very high | 149 Ų | 149 | 75 Ų | 75 | 80% | 0.797 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -85.2 | 6.2 | 177.4 | -64.3 | -42.1 | 0 | 0 | 0 | 112.6 | M636 G637 Y641 | M636-D639 PolarHBondContact O-N 3.18Å; M636-D639 VanDerWaalsContact O-N 3.14Å; G637-D639 VanDerWaalsContact C-N 3.32Å; D639-Y641 PolarHBondContact O-N 2.88Å |
| 640 | A | 92.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 26% | 0.256 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 124.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L632 K633 M636 G637 D638 | L632-A640 HydrophobicContact CB-CB 4.13Å; K633-A640 HydrophobicContact CG-CB 4.34Å; M636-A640 HydrophobicContact CB-CB 4.12Å; G637-A640 WeakPolarHBondContact O-CB 3.48Å; D638-A640 PolarHBondContact O-N 3.43Å |
| 641 | Y | 93.6 | Very high | 93.2 | Very high | 64 Ų | 64 | 72.9 Ų | 72.9 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 164.6 | 173.3 | 57.2 | -96.8 | 0 | 0 | 0 | 112.2 | L632 M636 D639 W643 E647 F722 | L632-Y641 HydrophobicContact CD1-CD2 4.01Å; L632-Y641 HydrophobicContact CD1-CE2 3.83Å; L632-Y641 VanDerWaalsContact CD1-O 3.28Å; L632-Y641 WeakPolarHBondContact CD1-O 3.48Å; L632-Y641 HydrophobicContact CD2-CE1 4.24Å; L632-Y641 HydrophobicContact CD2-CE2 3.79Å; L632-Y641 WeakPolarHBondContact CD2-OH 3.3Å; L632-Y641 HydrophobicContact CG-CE2 4.49Å; M636-Y641 HydrophobicContact CE-CD1 4.19Å; M636-Y641 HydrophobicContact CE-CE1 3.48Å; M636-Y641 VanDerWaalsContact CE-CE1 3.48Å; M636-Y641 HydrophobicContact SD-CD1 3.78Å; M636-Y641 HydrophobicContact SD-CE1 3.64Å; D639-Y641 PolarHBondContact O-N 2.88Å; Y641-W643 HydrophobicContact CE2-CE3 4.14Å; Y641-W643 HydrophobicContact CE2-CZ3 4.49Å; Y641-E647 HydrophobicContact CD2-CG 4.13Å; Y641-E647 HydrophobicContact CE2-CG 4.08Å; Y641-F722 WeakPolarHBondContact OH-CB 3.28Å; Y641-F722 PolarHBondContact OH-O 3.3Å |
| 642 | S | 93 | Very high | 93.3 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 127.2 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | N644 | S642-N644 PolarHBondContact O-N 3.37Š|
| 643 | W | 93.7 | Very high | 93.5 | Very high | 42 Ų | 42 | 72.6 Ų | 72.6 | 16% | 0.159 | 41% | 0.409 | C | S | . | . | trans | -77.2 | 112 | 172 | -167.2 | -90.3 | 0 | 0 | 0 | 110.3 | I630 L632 Y641 E647 M648 F651 I686 F688 F722 | I630-W643 HydrophobicContact CD1-CD2 4.38Å; I630-W643 HydrophobicContact CD1-CE3 4.1Å; I630-W643 HydrophobicContact CD1-CH2 3.24Å; I630-W643 HydrophobicContact CD1-CZ2 3.56Å; I630-W643 HydrophobicContact CD1-CZ3 3.54Å; I630-W643 HydrophobicContact CG2-CZ3 4.48Å; L632-W643 HydrophobicContact CD1-CB 4.07Å; L632-W643 HydrophobicContact CD1-CE3 4.33Å; Y641-W643 HydrophobicContact CE2-CE3 4.14Å; Y641-W643 HydrophobicContact CE2-CZ3 4.49Å; W643-E647 HydrophobicContact CD2-CB 3.9Å; W643-E647 HydrophobicContact CE3-CB 3.77Å; W643-E647 HydrophobicContact CE3-CG 4.41Å; W643-E647 HydrophobicContact CG-CB 4.47Å; W643-E647 HydrophobicContact CH2-CB 4.28Å; W643-E647 HydrophobicContact CZ2-CB 4.41Å; W643-E647 HydrophobicContact CZ3-CB 3.97Å; W643-M648 HydrophobicContact CZ2-CE 4.4Å; W643-F651 HydrophobicContact CH2-CB 4.03Å; W643-F651 HydrophobicContact CH2-CD2 4.39Å; W643-F651 HydrophobicContact CH2-CG 4.43Å; W643-F651 HydrophobicContact CZ2-CB 4.16Å; W643-I686 HydrophobicContact CB-CD1 3.65Å; W643-I686 HydrophobicContact CB-CG1 4.01Å; W643-I686 HydrophobicContact CB-CG2 4.25Å; W643-I686 HydrophobicContact CD2-CG2 3.66Å; W643-I686 HydrophobicContact CE3-CG2 4.3Å; W643-I686 HydrophobicContact CG-CD1 4.18Å; W643-I686 HydrophobicContact CG-CG1 4.25Å; W643-I686 HydrophobicContact CG-CG2 3.6Å; W643-F688 HydrophobicContact CZ2-CE1 4.1Å; W643-F688 HydrophobicContact CZ2-CZ 4.24Å; W643-F722 HydrophobicContact CH2-CD1 4.19Å; W643-F722 AromaticContact CH2-CE1 3.91Å; W643-F722 HydrophobicContact CH2-CE1 3.91Å; W643-F722 HydrophobicContact CH2-CZ 4.46Å; W643-F722 AromaticContact CZ3-CD1 3.82Å; W643-F722 HydrophobicContact CZ3-CD1 3.82Å; W643-F722 AromaticContact CZ3-CE1 3.92Å; W643-F722 HydrophobicContact CZ3-CE1 3.92Å | ||
| 644 | N | 90.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 65.1 Ų | 65.1 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | trans | -134.8 | -173.1 | -179.2 | 64 | 44.9 | 0 | 0 | 0 | 111 | S642 N646 E647 M648 | S642-N644 PolarHBondContact O-N 3.37Å; N644-N646 PolarHBondContact O-N 3.42Å; N644-N646 VanDerWaalsContact O-N 3.16Å; N644-N646 VanDerWaalsContact OD1-CB 3.25Å; N644-N646 WeakPolarHBondContact OD1-CB 3.37Å; N644-N646 PolarHBondContact OD1-N 3.5Å; N644-E647 PolarHBondContact O-N 2.92Å; N644-E647 VanDerWaalsContact O-N 3.12Å; N644-M648 PolarHBondContact O-N 3.29Å | ||
| 645 | A | 87.7 | Confident | 94 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 67% | 0.669 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.4 | -29.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y649 | A645-Y649 WeakPolarHBondContact O-CB 3.37Å; A645-Y649 PolarHBondContact O-N 3.25Å |
| 646 | N | 93.9 | Very high | 94.2 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.2 | -44 | 177.3 | -59.3 | -30.9 | 0 | 0 | 0 | 111.1 | N644 M648 Y649 L650 | N644-N646 PolarHBondContact O-N 3.42Å; N644-N646 VanDerWaalsContact O-N 3.16Å; N644-N646 VanDerWaalsContact OD1-CB 3.25Å; N644-N646 WeakPolarHBondContact OD1-CB 3.37Å; N644-N646 PolarHBondContact OD1-N 3.5Å; N646-M648 VanDerWaalsContact C-N 3.33Å; N646-Y649 PolarHBondContact O-N 3.09Å; N646-L650 PolarHBondContact O-N 2.95Å |
| 647 | E | 95.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 176 | -57.9 | -51.3 | 146.2 | 0 | 0 | 111.2 | Y641 W643 N644 L650 F651 | Y641-E647 HydrophobicContact CD2-CG 4.13Å; Y641-E647 HydrophobicContact CE2-CG 4.08Å; W643-E647 HydrophobicContact CD2-CB 3.9Å; W643-E647 HydrophobicContact CE3-CB 3.77Å; W643-E647 HydrophobicContact CE3-CG 4.41Å; W643-E647 HydrophobicContact CG-CB 4.47Å; W643-E647 HydrophobicContact CH2-CB 4.28Å; W643-E647 HydrophobicContact CZ2-CB 4.41Å; W643-E647 HydrophobicContact CZ3-CB 3.97Å; N644-E647 PolarHBondContact O-N 2.92Å; N644-E647 VanDerWaalsContact O-N 3.12Å; E647-L650 PolarHBondContact O-N 3.01Å; E647-F651 WeakPolarHBondContact O-CB 3.21Å; E647-F651 PolarHBondContact O-N 3.26Å |
| 648 | M | 94.5 | Very high | 94.6 | Very high | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 173.7 | -175.6 | 55.8 | 79.2 | 0 | 0 | 112.1 | W643 N644 N646 F651 K652 T679 E682 F688 | W643-M648 HydrophobicContact CZ2-CE 4.4Å; N644-M648 PolarHBondContact O-N 3.29Å; N646-M648 VanDerWaalsContact C-N 3.33Å; M648-F651 WeakPolarHBondContact O-CB 3.3Å; M648-F651 PolarHBondContact O-N 3Å; M648-F651 HydrophobicContact SD-CD1 4.33Å; M648-K652 HydrophobicContact CG-CD 4.42Å; M648-K652 WeakPolarHBondContact O-CG 3.24Å; M648-K652 PolarHBondContact O-N 3.24Å; M648-T679 HydrophobicContact SD-CG2 3.85Å; M648-E682 VanDerWaalsContact CE-CD 3.47Å; M648-E682 HydrophobicContact CE-CG 4.4Å; M648-E682 WeakPolarHBondContact CE-OE1 3.35Å; M648-E682 WeakPolarHBondContact CE-OE2 3.43Å; M648-F688 HydrophobicContact CE-CD1 3.76Å; M648-F688 HydrophobicContact CE-CD2 4.26Å; M648-F688 HydrophobicContact CE-CE1 3.69Å; M648-F688 HydrophobicContact CE-CE2 4.18Å; M648-F688 HydrophobicContact CE-CG 4.06Å; M648-F688 HydrophobicContact CE-CZ 3.9Å; M648-F688 HydrophobicContact SD-CE2 4.34Å; M648-F688 HydrophobicContact SD-CZ 4.25Å |
| 649 | Y | 95.1 | Very high | 94.8 | Very high | 153 Ų | 153 | 50.6 Ų | 50.6 | 60% | 0.6 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 174.7 | 173.5 | -95.3 | 0 | 0 | 0 | 111.8 | A645 N646 F651 K652 A653 A674 | A645-Y649 WeakPolarHBondContact O-CB 3.37Å; A645-Y649 PolarHBondContact O-N 3.25Å; N646-Y649 PolarHBondContact O-N 3.09Å; Y649-F651 VanDerWaalsContact C-N 3.25Å; Y649-F651 PolarHBondContact O-N 3.49Å; Y649-K652 PolarHBondContact O-N 2.94Å; Y649-A653 WeakPolarHBondContact O-CB 3.25Å; Y649-A653 PolarHBondContact O-N 3.4Å; Y649-A674 HydrophobicContact CD2-CB 4.05Å; Y649-A674 HydrophobicContact CE2-CB 3.76Å |
| 650 | L | 97.1 | Very high | 95.1 | Very high | 74 Ų | 74 | 48 Ų | 48 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.5 | -37.8 | 175.9 | -177.9 | 60.6 | 0 | 0 | 0 | 111.4 | N646 E647 A653 S654 F722 | N646-L650 PolarHBondContact O-N 2.95Å; E647-L650 PolarHBondContact O-N 3.01Å; L650-A653 PolarHBondContact O-N 3.03Å; L650-S654 WeakPolarHBondContact O-CB 3.47Å; L650-S654 PolarHBondContact O-N 3.24Å; L650-S654 PolarHBondContact O-OG 2.71Å; L650-F722 HydrophobicContact CB-CE1 4.33Å; L650-F722 HydrophobicContact CB-CZ 4.16Å; L650-F722 HydrophobicContact CD2-CE1 3.99Å; L650-F722 HydrophobicContact CD2-CZ 4.15Å; L650-F722 HydrophobicContact CG-CE1 4.13Å; L650-F722 HydrophobicContact CG-CZ 3.83Å |
| 651 | F | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -52.1 | 177.4 | 175.4 | -90.9 | 0 | 0 | 0 | 110.5 | V628 W643 E647 M648 Y649 A653 S654 I655 F688 M690 F722 L729 F731 | V628-F651 HydrophobicContact CG1-CE2 4.18Å; V628-F651 HydrophobicContact CG1-CZ 4.08Å; V628-F651 HydrophobicContact CG2-CZ 3.95Å; W643-F651 HydrophobicContact CH2-CB 4.03Å; W643-F651 HydrophobicContact CH2-CD2 4.39Å; W643-F651 HydrophobicContact CH2-CG 4.43Å; W643-F651 HydrophobicContact CZ2-CB 4.16Å; E647-F651 WeakPolarHBondContact O-CB 3.21Å; E647-F651 PolarHBondContact O-N 3.26Å; M648-F651 WeakPolarHBondContact O-CB 3.3Å; M648-F651 PolarHBondContact O-N 3Å; M648-F651 HydrophobicContact SD-CD1 4.33Å; Y649-F651 VanDerWaalsContact C-N 3.25Å; Y649-F651 PolarHBondContact O-N 3.49Å; F651-A653 VanDerWaalsContact C-N 3.3Å; F651-A653 PolarHBondContact O-N 3.33Å; F651-S654 WeakPolarHBondContact O-CB 3.4Å; F651-S654 PolarHBondContact O-N 2.94Å; F651-I655 HydrophobicContact CD1-CG1 4.28Å; F651-I655 HydrophobicContact CE1-CD1 4.44Å; F651-I655 HydrophobicContact CE1-CG1 3.77Å; F651-I655 HydrophobicContact CE2-CD1 4.31Å; F651-I655 HydrophobicContact CE2-CG1 4.32Å; F651-I655 HydrophobicContact CZ-CD1 3.97Å; F651-I655 HydrophobicContact CZ-CG1 3.8Å; F651-I655 WeakPolarHBondContact O-CG1 3.36Å; F651-I655 PolarHBondContact O-N 2.95Å; F651-F688 AromaticContact CD1-CE2 3.94Å; F651-F688 HydrophobicContact CD1-CE2 3.94Å; F651-F688 AromaticContact CD1-CZ 3.97Å; F651-F688 HydrophobicContact CD1-CZ 3.97Å; F651-F688 HydrophobicContact CD2-CZ 4.49Å; F651-F688 AromaticContact CE1-CE2 3.51Å; F651-F688 HydrophobicContact CE1-CE2 3.51Å; F651-F688 AromaticContact CE1-CZ 3.85Å; F651-F688 HydrophobicContact CE1-CZ 3.85Å; F651-F688 HydrophobicContact CE2-CZ 4.36Å; F651-F688 HydrophobicContact CG-CZ 4.31Å; F651-F688 AromaticContact CZ-CE2 3.92Å; F651-F688 HydrophobicContact CZ-CE2 3.92Å; F651-F688 HydrophobicContact CZ-CZ 4.04Å; F651-M690 HydrophobicContact CE1-SD 3.83Å; F651-M690 HydrophobicContact CZ-SD 3.73Å; F651-F722 VanDerWaalsContact CA-CZ 3.45Å; F651-F722 HydrophobicContact CB-CE1 4.43Å; F651-F722 HydrophobicContact CB-CE2 4.3Å; F651-F722 HydrophobicContact CB-CZ 3.74Å; F651-F722 HydrophobicContact CD2-CE2 4.17Å; F651-F722 HydrophobicContact CD2-CZ 4.38Å; F651-L729 HydrophobicContact CE2-CD1 4.49Å; F651-F731 HydrophobicContact CE2-CE1 4.2Å; F651-F731 HydrophobicContact CE2-CZ 4.15Å; F651-F731 AromaticContact CZ-CE1 3.98Å; F651-F731 HydrophobicContact CZ-CE1 3.98Å; F651-F731 HydrophobicContact CZ-CZ 4.38Å |
| 652 | K | 96.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.7 | -44.4 | 175.5 | -71.9 | 177.4 | 174.9 | -179.8 | 0 | 111.6 | M648 Y649 S654 I655 A656 A674 I677 T679 | M648-K652 HydrophobicContact CG-CD 4.42Å; M648-K652 WeakPolarHBondContact O-CG 3.24Å; M648-K652 PolarHBondContact O-N 3.24Å; Y649-K652 PolarHBondContact O-N 2.94Å; K652-S654 VanDerWaalsContact C-N 3.33Å; K652-S654 PolarHBondContact O-N 2.92Å; K652-I655 PolarHBondContact O-N 3.37Å; K652-A656 WeakPolarHBondContact O-CB 3.5Å; K652-A656 PolarHBondContact O-N 2.86Å; K652-A674 HydrophobicContact CB-CB 3.93Å; K652-I677 HydrophobicContact CB-CB 4Å; K652-I677 HydrophobicContact CB-CG2 4.37Å; K652-I677 VanDerWaalsContact CD-O 3.28Å; K652-I677 WeakPolarHBondContact CD-O 3.33Å; K652-I677 VanDerWaalsContact CE-O 3.22Å; K652-I677 WeakPolarHBondContact CE-O 3.25Å; K652-I677 HydrophobicContact CG-CB 4Å; K652-I677 HydrophobicContact CG-CG2 4.04Å; K652-I677 WeakPolarHBondContact O-CG1 3.25Å; K652-T679 VanDerWaalsContact CE-CG2 3.45Å; K652-T679 WeakPolarHBondContact CE-OG1 3.37Å; K652-T679 HydrophobicContact CG-CG2 4.45Å; K652-T679 PolarHBondContact NZ-OG1 3.33Å |
| 653 | A | 97.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y649 L650 F651 A656 Y657 A674 | Y649-A653 WeakPolarHBondContact O-CB 3.25Å; Y649-A653 PolarHBondContact O-N 3.4Å; L650-A653 PolarHBondContact O-N 3.03Å; F651-A653 VanDerWaalsContact C-N 3.3Å; F651-A653 PolarHBondContact O-N 3.33Å; A653-A656 PolarHBondContact O-N 3.02Å; A653-Y657 WeakPolarHBondContact O-CB 3.49Å; A653-Y657 PolarHBondContact O-N 2.98Å; A653-A674 HydrophobicContact CB-CB 4.34Å |
| 654 | S | 97.5 | Very high | 95.4 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -41.3 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | L650 F651 K652 Y657 A658 | L650-S654 WeakPolarHBondContact O-CB 3.47Å; L650-S654 PolarHBondContact O-N 3.24Å; L650-S654 PolarHBondContact O-OG 2.71Å; F651-S654 WeakPolarHBondContact O-CB 3.4Å; F651-S654 PolarHBondContact O-N 2.94Å; K652-S654 VanDerWaalsContact C-N 3.33Å; K652-S654 PolarHBondContact O-N 2.92Å; S654-Y657 WeakPolarHBondContact O-CB 3.42Å; S654-Y657 PolarHBondContact O-N 3.13Å; S654-A658 PolarHBondContact O-N 3.1Å |
| 655 | I | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 173.7 | -60.1 | -60.5 | 0 | 0 | 0 | 111.1 | F651 K652 Y657 A658 L659 I677 M690 M707 V711 I718 F731 | F651-I655 HydrophobicContact CD1-CG1 4.28Å; F651-I655 HydrophobicContact CE1-CD1 4.44Å; F651-I655 HydrophobicContact CE1-CG1 3.77Å; F651-I655 HydrophobicContact CE2-CD1 4.31Å; F651-I655 HydrophobicContact CE2-CG1 4.32Å; F651-I655 HydrophobicContact CZ-CD1 3.97Å; F651-I655 HydrophobicContact CZ-CG1 3.8Å; F651-I655 WeakPolarHBondContact O-CG1 3.36Å; F651-I655 PolarHBondContact O-N 2.95Å; K652-I655 PolarHBondContact O-N 3.37Å; I655-Y657 VanDerWaalsContact C-N 3.28Å; I655-Y657 PolarHBondContact O-N 2.67Å; I655-A658 WeakPolarHBondContact O-CB 3.47Å; I655-A658 PolarHBondContact O-N 3.01Å; I655-A658 VanDerWaalsContact O-N 3.1Å; I655-L659 HydrophobicContact CG2-CD1 4.37Å; I655-L659 PolarHBondContact O-N 3.37Å; I655-I677 HydrophobicContact CB-CD1 4.4Å; I655-I677 HydrophobicContact CB-CG1 4.23Å; I655-I677 HydrophobicContact CB-CG2 4.32Å; I655-I677 HydrophobicContact CG2-CD1 3.79Å; I655-I677 HydrophobicContact CG2-CG1 4.14Å; I655-I677 HydrophobicContact CG2-CG2 4.19Å; I655-M690 HydrophobicContact CD1-CE 4.3Å; I655-M690 HydrophobicContact CD1-SD 4.11Å; I655-M690 HydrophobicContact CG1-SD 4.07Å; I655-M690 HydrophobicContact CG2-SD 4.45Å; I655-M707 HydrophobicContact CG2-CE 4.11Å; I655-M707 HydrophobicContact CG2-SD 3.86Å; I655-V711 HydrophobicContact CD1-CG2 4.11Å; I655-I718 HydrophobicContact CD1-CD1 3.92Å; I655-F731 HydrophobicContact CD1-CE1 4.02Å; I655-F731 HydrophobicContact CD1-CZ 4.16Å |
| 656 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K652 A653 R660 F672 T673 I677 | K652-A656 WeakPolarHBondContact O-CB 3.5Å; K652-A656 PolarHBondContact O-N 2.86Å; A653-A656 PolarHBondContact O-N 3.02Å; A656-R660 WeakPolarHBondContact O-CB 3.29Å; A656-R660 WeakPolarHBondContact O-CG 3.26Å; A656-R660 PolarHBondContact O-N 2.89Å; A656-R660 PolarHBondContact O-NE 2.9Å; A656-F672 HydrophobicContact CB-CB 4.04Å; A656-T673 VanDerWaalsContact CB-C 3.46Å; A656-T673 VanDerWaalsContact CB-O 3.26Å; A656-T673 WeakPolarHBondContact CB-O 3.38Å; A656-I677 HydrophobicContact CB-CD1 4.45Å; A656-I677 HydrophobicContact CB-CG1 4.07Å |
| 657 | Y | 96.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 51 Ų | 51 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 170 | 172.6 | -94.6 | 0 | 0 | 0 | 111.6 | A653 S654 I655 L659 R660 Q661 Y714 R717 | A653-Y657 WeakPolarHBondContact O-CB 3.49Å; A653-Y657 PolarHBondContact O-N 2.98Å; S654-Y657 WeakPolarHBondContact O-CB 3.42Å; S654-Y657 PolarHBondContact O-N 3.13Å; I655-Y657 VanDerWaalsContact C-N 3.28Å; I655-Y657 PolarHBondContact O-N 2.67Å; Y657-L659 VanDerWaalsContact C-N 3.33Å; Y657-L659 PolarHBondContact O-N 3.38Å; Y657-R660 WeakPolarHBondContact O-CB 3.23Å; Y657-R660 PolarHBondContact O-N 3.48Å; Y657-Q661 HydrophobicContact CD1-CG 4.28Å; Y657-Q661 HydrophobicContact CD2-CG 4.18Å; Y657-Q661 HydrophobicContact CE1-CG 3.74Å; Y657-Q661 HydrophobicContact CE2-CG 3.62Å; Y657-Q661 HydrophobicContact CG-CG 4.47Å; Y657-Q661 WeakPolarHBondContact O-CG 3.35Å; Y657-Q661 PolarHBondContact O-N 3.35Å; Y657-Q661 WeakPolarHBondContact OH-CG 3.19Å; Y657-Y714 HydrophobicContact CE1-CD1 4.03Å; Y657-Y714 HydrophobicContact CE1-CE1 4.28Å; Y657-R717 VanDerWaalsContact CZ-NH1 3.28Å; Y657-R717 PolarHBondContact OH-NH1 2.81Å |
| 658 | A | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S654 I655 Q661 Y662 Y714 I718 | S654-A658 PolarHBondContact O-N 3.1Å; I655-A658 WeakPolarHBondContact O-CB 3.47Å; I655-A658 PolarHBondContact O-N 3.01Å; I655-A658 VanDerWaalsContact O-N 3.1Å; A658-Q661 PolarHBondContact O-N 2.99Å; A658-Y662 WeakPolarHBondContact O-CB 3.45Å; A658-Y662 PolarHBondContact O-N 3.06Å; A658-Y714 HydrophobicContact CB-CD2 4Å; A658-Y714 HydrophobicContact CB-CG 4.1Å; A658-I718 HydrophobicContact CB-CD1 4.41Å |
| 659 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.4 | -74.1 | 170.8 | 0 | 0 | 0 | 112.5 | I655 Y657 Q661 Y662 Y663 F672 I677 A692 I702 M707 A710 | I655-L659 HydrophobicContact CG2-CD1 4.37Å; I655-L659 PolarHBondContact O-N 3.37Å; Y657-L659 VanDerWaalsContact C-N 3.33Å; Y657-L659 PolarHBondContact O-N 3.38Å; L659-Q661 VanDerWaalsContact C-N 3.28Å; L659-Q661 PolarHBondContact O-N 3.42Å; L659-Y662 PolarHBondContact O-N 3.34Å; L659-Y663 HydrophobicContact CD2-CE2 4.27Å; L659-Y663 WeakPolarHBondContact O-CD2 3.44Å; L659-Y663 PolarHBondContact O-N 2.91Å; L659-F672 HydrophobicContact CB-CD1 4.35Å; L659-F672 HydrophobicContact CB-CD2 3.76Å; L659-F672 HydrophobicContact CB-CE1 4.49Å; L659-F672 HydrophobicContact CB-CE2 3.93Å; L659-F672 HydrophobicContact CB-CG 3.99Å; L659-F672 HydrophobicContact CB-CZ 4.3Å; L659-F672 HydrophobicContact CD1-CD1 3.97Å; L659-F672 HydrophobicContact CD1-CE1 3.96Å; L659-F672 HydrophobicContact CD1-CG 4.39Å; L659-F672 HydrophobicContact CD1-CZ 4.39Å; L659-I677 HydrophobicContact CD1-CD1 3.71Å; L659-A692 HydrophobicContact CD1-CB 3.61Å; L659-I702 HydrophobicContact CD2-CG2 4.43Å; L659-M707 HydrophobicContact CD1-CE 3.83Å; L659-M707 HydrophobicContact CD1-SD 4.42Å; L659-M707 HydrophobicContact CD2-CE 4.46Å; L659-M707 HydrophobicContact CD2-SD 4.36Å; L659-A710 HydrophobicContact CD2-CB 3.75Å; L659-A710 HydrophobicContact CG-CB 4.34Å |
| 660 | R | 96.3 | Very high | 94.8 | Very high | 96 Ų | 96 | 54 Ų | 54 | 36% | 0.362 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -53.4 | -48 | 175.3 | -84.6 | -178.6 | -66.7 | -167.5 | 3.1 | 111.8 | A656 Y657 S664 L670 F672 | A656-R660 WeakPolarHBondContact O-CB 3.29Å; A656-R660 WeakPolarHBondContact O-CG 3.26Å; A656-R660 PolarHBondContact O-N 2.89Å; A656-R660 PolarHBondContact O-NE 2.9Å; Y657-R660 WeakPolarHBondContact O-CB 3.23Å; Y657-R660 PolarHBondContact O-N 3.48Å; R660-S664 VanDerWaalsContact O-CB 3.25Å; R660-S664 WeakPolarHBondContact O-CB 3.45Å; R660-S664 PolarHBondContact O-N 2.77Å; R660-L670 WeakPolarHBondContact CG-O 3.4Å; R660-F672 WeakPolarHBondContact CD-O 3.26Å; R660-F672 HydrophobicContact CG-CB 3.95Å; R660-F672 HydrophobicContact CG-CD2 4.2Å; R660-F672 PolarHBondContact NE-O 3.16Å; R660-F672 VanDerWaalsContact NE-O 3.12Å; R660-F672 PolarHBondContact NH1-O 3.37Å |
| 661 | Q | 95.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 54.6 Ų | 54.6 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | -178.3 | -62.1 | -61.8 | -70.4 | 0 | 0 | 112.2 | Y657 A658 L659 S664 Q665 Y714 | Y657-Q661 HydrophobicContact CD1-CG 4.28Å; Y657-Q661 HydrophobicContact CD2-CG 4.18Å; Y657-Q661 HydrophobicContact CE1-CG 3.74Å; Y657-Q661 HydrophobicContact CE2-CG 3.62Å; Y657-Q661 HydrophobicContact CG-CG 4.47Å; Y657-Q661 WeakPolarHBondContact O-CG 3.35Å; Y657-Q661 PolarHBondContact O-N 3.35Å; Y657-Q661 WeakPolarHBondContact OH-CG 3.19Å; A658-Q661 PolarHBondContact O-N 2.99Å; L659-Q661 VanDerWaalsContact C-N 3.28Å; L659-Q661 PolarHBondContact O-N 3.42Å; Q661-S664 PolarHBondContact O-N 2.94Å; Q661-Q665 WeakPolarHBondContact O-CG 3.46Å; Q661-Q665 PolarHBondContact O-N 3.44Å; Q661-Q665 VanDerWaalsContact O-N 3.09Å; Q661-Y714 HydrophobicContact CB-CD2 4.33Å; Q661-Y714 HydrophobicContact CB-CE1 3.97Å; Q661-Y714 HydrophobicContact CB-CE2 3.44Å; Q661-Y714 VanDerWaalsContact CB-CE2 3.44Å; Q661-Y714 WeakPolarHBondContact CB-OH 3.34Å; Q661-Y714 HydrophobicContact CG-CE1 4.15Å; Q661-Y714 HydrophobicContact CG-CE2 4.39Å |
| 662 | Y | 95.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | 176.2 | 176.2 | -105.1 | 0 | 0 | 0 | 112.4 | A658 L659 Q665 K666 D706 A709 A710 L713 | A658-Y662 WeakPolarHBondContact O-CB 3.45Å; A658-Y662 PolarHBondContact O-N 3.06Å; L659-Y662 PolarHBondContact O-N 3.34Å; Y662-Q665 WeakPolarHBondContact O-CB 3.45Å; Y662-Q665 PolarHBondContact O-N 2.88Å; Y662-K666 HydrophobicContact CE1-CD 4.24Å; Y662-K666 VanDerWaalsContact CE1-CE 3.44Å; Y662-K666 VanDerWaalsContact CE1-NZ 3.33Å; Y662-K666 WeakPolarHBondContact OH-CE 3.37Å; Y662-K666 PolarHBondContact OH-NZ 2.94Å; Y662-D706 HydrophobicContact CE1-CB 3.87Å; Y662-D706 PolarHBondContact OH-OD1 3.37Å; Y662-D706 VanDerWaalsContact OH-OD1 3.13Å; Y662-A709 HydrophobicContact CD2-CB 4.37Å; Y662-A709 HydrophobicContact CE2-CB 3.53Å; Y662-A710 HydrophobicContact CD1-CB 4.15Å; Y662-A710 HydrophobicContact CD2-CB 4.35Å; Y662-A710 HydrophobicContact CG-CB 3.79Å; Y662-L713 HydrophobicContact CD2-CD2 4.34Å |
| 663 | Y | 94.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 56 Ų | 56 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.3 | -33.2 | 177.4 | -81.8 | -76.8 | 0 | 0 | 0 | 112.7 | L659 Q665 K666 D667 Q668 L670 F672 I702 D706 | L659-Y663 HydrophobicContact CD2-CE2 4.27Å; L659-Y663 WeakPolarHBondContact O-CD2 3.44Å; L659-Y663 PolarHBondContact O-N 2.91Å; Y663-Q665 PolarHBondContact O-N 3.37Å; Y663-K666 CarbonylContact O-C 3.58Å; Y663-K666 WeakPolarHBondContact O-CA 3.41Å; Y663-K666 WeakPolarHBondContact O-CB 3.05Å; Y663-K666 PolarHBondContact O-N 2.86Å; Y663-D667 PolarHBondContact O-N 2.93Å; Y663-Q668 CarbonylContact C-O 3.45Å; Y663-Q668 HydrophobicContact CD1-CB 4.2Å; Y663-Q668 PolarHBondContact O-N 2.92Å; Y663-Q668 VanDerWaalsContact O-O 3.04Å; Y663-L670 HydrophobicContact CD1-CD1 3.8Å; Y663-L670 HydrophobicContact CD2-CD1 4.12Å; Y663-L670 HydrophobicContact CE1-CD1 4Å; Y663-L670 HydrophobicContact CE2-CD1 4.32Å; Y663-L670 HydrophobicContact CG-CD1 3.84Å; Y663-F672 AromaticContact CD2-CE2 3.58Å; Y663-F672 HydrophobicContact CD2-CE2 3.58Å; Y663-F672 HydrophobicContact CD2-CZ 4.06Å; Y663-F672 AromaticContact CE2-CE2 3.92Å; Y663-F672 HydrophobicContact CE2-CE2 3.92Å; Y663-F672 AromaticContact CE2-CZ 3.89Å; Y663-F672 HydrophobicContact CE2-CZ 3.89Å; Y663-F672 HydrophobicContact CG-CE2 4.42Å; Y663-I702 HydrophobicContact CE2-CG2 4.37Å; Y663-D706 PolarHBondContact OH-OD2 3.3Å; Y663-D706 VanDerWaalsContact OH-OD2 3.13Å |
| 664 | S | 93.7 | Very high | 94.1 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 48% | 0.483 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.7 | -31.3 | 172 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | R660 Q661 K666 D667 Q668 | R660-S664 VanDerWaalsContact O-CB 3.25Å; R660-S664 WeakPolarHBondContact O-CB 3.45Å; R660-S664 PolarHBondContact O-N 2.77Å; Q661-S664 PolarHBondContact O-N 2.94Å; S664-K666 VanDerWaalsContact C-N 3.26Å; S664-K666 PolarHBondContact O-N 2.8Å; S664-D667 PolarHBondContact O-N 3.28Å; S664-Q668 PolarHBondContact N-O 3Å |
| 665 | Q | 92.6 | Very high | 93.8 | Very high | 121 Ų | 121 | 62.3 Ų | 62.3 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -16.8 | 173.1 | -69.2 | -179.2 | 8.9 | 0 | 0 | 113.4 | Q661 Y662 Y663 Y714 | Q661-Q665 WeakPolarHBondContact O-CG 3.46Å; Q661-Q665 PolarHBondContact O-N 3.44Å; Q661-Q665 VanDerWaalsContact O-N 3.09Å; Y662-Q665 WeakPolarHBondContact O-CB 3.45Å; Y662-Q665 PolarHBondContact O-N 2.88Å; Y663-Q665 PolarHBondContact O-N 3.37Å; Q665-Y714 PolarHBondContact NE2-OH 3.27Å; Q665-Y714 VanDerWaalsContact NE2-OH 3.12Å |
| 666 | K | 90.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 16.4 | 173.3 | -63.6 | -174 | 177.7 | 177.4 | 0 | 112.5 | Y662 Y663 S664 Q668 D706 | Y662-K666 HydrophobicContact CE1-CD 4.24Å; Y662-K666 VanDerWaalsContact CE1-CE 3.44Å; Y662-K666 VanDerWaalsContact CE1-NZ 3.33Å; Y662-K666 WeakPolarHBondContact OH-CE 3.37Å; Y662-K666 PolarHBondContact OH-NZ 2.94Å; Y663-K666 CarbonylContact O-C 3.58Å; Y663-K666 WeakPolarHBondContact O-CA 3.41Å; Y663-K666 WeakPolarHBondContact O-CB 3.05Å; Y663-K666 PolarHBondContact O-N 2.86Å; S664-K666 VanDerWaalsContact C-N 3.26Å; S664-K666 PolarHBondContact O-N 2.8Å; K666-Q668 PolarHBondContact O-N 3.33Å; K666-D706 IonicContact NZ-OD1 3.89Å; K666-D706 PolarHBondContact NZ-OD1 3.33Å; K666-D706 IonicContact NZ-OD2 2.96Å |
| 667 | D | 91.6 | Very high | 93.4 | Very high | 162 Ų | 162 | 63.1 Ų | 63.1 | 87% | 0.866 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 27.1 | -174.8 | -59.6 | -50.3 | 0 | 0 | 0 | 114.1 | Y663 S664 | Y663-D667 PolarHBondContact O-N 2.93Å; S664-D667 PolarHBondContact O-N 3.28Å |
| 668 | Q | 89.9 | Confident | 93.2 | Very high | 97 Ų | 97 | 62.1 Ų | 62.1 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | trans | -114 | 116.6 | 176.6 | -68.5 | -177.3 | -6.5 | 0 | 0 | 110.6 | Y663 S664 K666 L670 | Y663-Q668 CarbonylContact C-O 3.45Å; Y663-Q668 HydrophobicContact CD1-CB 4.2Å; Y663-Q668 PolarHBondContact O-N 2.92Å; Y663-Q668 VanDerWaalsContact O-O 3.04Å; S664-Q668 PolarHBondContact N-O 3Å; K666-Q668 PolarHBondContact O-N 3.33Å; Q668-L670 PolarHBondContact O-N 2.64Å | ||
| 669 | N | 88.8 | Confident | 93 | Very high | 153 Ų | 153 | 62.4 Ų | 62.4 | 82% | 0.818 | 32% | 0.319 | S | S | * | . | trans | -91.8 | 84.8 | 179.4 | -169.9 | 20.8 | 0 | 0 | 0 | 111.3 | ||||
| 670 | L | 92 | Very high | 92.6 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | trans | -101.6 | 114.8 | 177.7 | -63.5 | -177.4 | 0 | 0 | 0 | 110.6 | R660 Y663 Q668 F672 H694 P695 | R660-L670 WeakPolarHBondContact CG-O 3.4Å; Y663-L670 HydrophobicContact CD1-CD1 3.8Å; Y663-L670 HydrophobicContact CD2-CD1 4.12Å; Y663-L670 HydrophobicContact CE1-CD1 4Å; Y663-L670 HydrophobicContact CE2-CD1 4.32Å; Y663-L670 HydrophobicContact CG-CD1 3.84Å; Q668-L670 PolarHBondContact O-N 2.64Å; L670-F672 VanDerWaalsContact C-N 3.3Å; L670-F672 HydrophobicContact CB-CD2 3.95Å; L670-F672 HydrophobicContact CB-CE2 3.54Å; L670-F672 HydrophobicContact CB-CZ 4.37Å; L670-F672 HydrophobicContact CD1-CE2 3.92Å; L670-F672 HydrophobicContact CD1-CZ 4.14Å; L670-F672 HydrophobicContact CG-CE2 4.4Å; L670-F672 WeakPolarHBondContact O-CD2 3.37Å; L670-F672 PolarHBondContact O-N 3.12Å; L670-H694 WeakPolarHBondContact CD2-NE2 3.32Å; L670-P695 HydrophobicContact CB-CG 4.27Å | ||
| 671 | P | 92.6 | Very high | 92.1 | Very high | 85 Ų | 85 | 64.7 Ų | 64.7 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | trans | -81.9 | 64.8 | -172.7 | 34.6 | -37.8 | 0 | 0 | 0 | 112.6 | T673 P695 | P671-T673 PolarHBondContact O-N 2.89Å; P671-P695 HydrophobicContact CG-CB 4.15Å | ||
| 672 | F | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -60.4 | 138.5 | 177.4 | -63.8 | -94.3 | 0 | 0 | 0 | 112.3 | A656 L659 R660 Y663 L670 N676 T693 P695 I702 | A656-F672 HydrophobicContact CB-CB 4.04Å; L659-F672 HydrophobicContact CB-CD1 4.35Å; L659-F672 HydrophobicContact CB-CD2 3.76Å; L659-F672 HydrophobicContact CB-CE1 4.49Å; L659-F672 HydrophobicContact CB-CE2 3.93Å; L659-F672 HydrophobicContact CB-CG 3.99Å; L659-F672 HydrophobicContact CB-CZ 4.3Å; L659-F672 HydrophobicContact CD1-CD1 3.97Å; L659-F672 HydrophobicContact CD1-CE1 3.96Å; L659-F672 HydrophobicContact CD1-CG 4.39Å; L659-F672 HydrophobicContact CD1-CZ 4.39Å; R660-F672 WeakPolarHBondContact CD-O 3.26Å; R660-F672 HydrophobicContact CG-CB 3.95Å; R660-F672 HydrophobicContact CG-CD2 4.2Å; R660-F672 PolarHBondContact NE-O 3.16Å; R660-F672 VanDerWaalsContact NE-O 3.12Å; R660-F672 PolarHBondContact NH1-O 3.37Å; Y663-F672 AromaticContact CD2-CE2 3.58Å; Y663-F672 HydrophobicContact CD2-CE2 3.58Å; Y663-F672 HydrophobicContact CD2-CZ 4.06Å; Y663-F672 AromaticContact CE2-CE2 3.92Å; Y663-F672 HydrophobicContact CE2-CE2 3.92Å; Y663-F672 AromaticContact CE2-CZ 3.89Å; Y663-F672 HydrophobicContact CE2-CZ 3.89Å; Y663-F672 HydrophobicContact CG-CE2 4.42Å; L670-F672 VanDerWaalsContact C-N 3.3Å; L670-F672 HydrophobicContact CB-CD2 3.95Å; L670-F672 HydrophobicContact CB-CE2 3.54Å; L670-F672 HydrophobicContact CB-CZ 4.37Å; L670-F672 HydrophobicContact CD1-CE2 3.92Å; L670-F672 HydrophobicContact CD1-CZ 4.14Å; L670-F672 HydrophobicContact CG-CE2 4.4Å; L670-F672 WeakPolarHBondContact O-CD2 3.37Å; L670-F672 PolarHBondContact O-N 3.12Å; F672-N676 WeakPolarHBondContact CA-OD1 3.41Å; F672-N676 HydrophobicContact CD1-CB 3.95Å; F672-T693 WeakPolarHBondContact CE1-O 3.46Å; F672-P695 HydrophobicContact CB-CG 4.23Å; F672-P695 HydrophobicContact CD1-CG 3.51Å; F672-P695 HydrophobicContact CD2-CG 3.89Å; F672-P695 VanDerWaalsContact CE1-CD 3.49Å; F672-P695 HydrophobicContact CE1-CG 3.72Å; F672-P695 HydrophobicContact CE2-CG 4.07Å; F672-P695 HydrophobicContact CG-CG 3.59Å; F672-P695 HydrophobicContact CZ-CG 4Å; F672-I702 HydrophobicContact CE1-CD1 3.98Å; F672-I702 HydrophobicContact CE1-CG1 3.78Å; F672-I702 HydrophobicContact CZ-CD1 3.72Å; F672-I702 HydrophobicContact CZ-CG1 3.91Å | ||
| 673 | T | 94.3 | Very high | 91.4 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | trans | -121.9 | 173.9 | 172.7 | 71.4 | 0 | 0 | 0 | 0 | 110.2 | A656 P671 E675 N676 | A656-T673 VanDerWaalsContact CB-C 3.46Å; A656-T673 VanDerWaalsContact CB-O 3.26Å; A656-T673 WeakPolarHBondContact CB-O 3.38Å; P671-T673 PolarHBondContact O-N 2.89Å; T673-E675 PolarHBondContact O-N 3.49Å; T673-E675 PolarHBondContact OG1-N 3.1Å; T673-N676 PolarHBondContact N-OD1 3.11Å; T673-N676 PolarHBondContact O-N 2.77Å; T673-N676 VanDerWaalsContact O-N 3.13Å; T673-N676 PolarHBondContact OG1-OD1 3.14Å | ||
| 674 | A | 93.2 | Very high | 91 | Very high | 14 Ų | 14 | 73.3 Ų | 73.3 | 12% | 0.116 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -60 | -28 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y649 K652 A653 N676 I677 | Y649-A674 HydrophobicContact CD2-CB 4.05Å; Y649-A674 HydrophobicContact CE2-CB 3.76Å; K652-A674 HydrophobicContact CB-CB 3.93Å; A653-A674 HydrophobicContact CB-CB 4.34Å; A674-N676 PolarHBondContact O-N 2.81Å; A674-I677 PolarHBondContact O-N 2.88Å; A674-I677 VanDerWaalsContact O-N 3.15Å |
| 675 | E | 89.3 | Confident | 90.7 | Very high | 164 Ų | 164 | 80.6 Ų | 80.6 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -67.5 | -25.2 | 178.1 | -60.6 | -176.8 | 173 | 0 | 0 | 112.7 | T673 I677 | T673-E675 PolarHBondContact O-N 3.49Å; T673-E675 PolarHBondContact OG1-N 3.1Å; E675-I677 PolarHBondContact O-N 2.92Å |
| 676 | N | 92.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 76.4 Ų | 76.4 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -75.9 | -12.3 | 176.2 | -58.9 | 117 | 0 | 0 | 0 | 112.7 | F672 T673 A674 A692 T693 | F672-N676 WeakPolarHBondContact CA-OD1 3.41Å; F672-N676 HydrophobicContact CD1-CB 3.95Å; T673-N676 PolarHBondContact N-OD1 3.11Å; T673-N676 PolarHBondContact O-N 2.77Å; T673-N676 VanDerWaalsContact O-N 3.13Å; T673-N676 PolarHBondContact OG1-OD1 3.14Å; A674-N676 PolarHBondContact O-N 2.81Å; N676-A692 CarbonylContact O-C 3.55Å; N676-A692 VanDerWaalsContact O-CA 3.24Å; N676-A692 WeakPolarHBondContact O-CA 3.18Å; N676-T693 PolarHBondContact O-N 3.35Å; N676-T693 PolarHBondContact O-OG1 3.15Å |
| 677 | I | 94.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 105 | -179.3 | -47.8 | -53.9 | 0 | 0 | 0 | 108.9 | K652 I655 A656 L659 A674 E675 A692 | K652-I677 HydrophobicContact CB-CB 4Å; K652-I677 HydrophobicContact CB-CG2 4.37Å; K652-I677 VanDerWaalsContact CD-O 3.28Å; K652-I677 WeakPolarHBondContact CD-O 3.33Å; K652-I677 VanDerWaalsContact CE-O 3.22Å; K652-I677 WeakPolarHBondContact CE-O 3.25Å; K652-I677 HydrophobicContact CG-CB 4Å; K652-I677 HydrophobicContact CG-CG2 4.04Å; K652-I677 WeakPolarHBondContact O-CG1 3.25Å; I655-I677 HydrophobicContact CB-CD1 4.4Å; I655-I677 HydrophobicContact CB-CG1 4.23Å; I655-I677 HydrophobicContact CB-CG2 4.32Å; I655-I677 HydrophobicContact CG2-CD1 3.79Å; I655-I677 HydrophobicContact CG2-CG1 4.14Å; I655-I677 HydrophobicContact CG2-CG2 4.19Å; A656-I677 HydrophobicContact CB-CD1 4.45Å; A656-I677 HydrophobicContact CB-CG1 4.07Å; L659-I677 HydrophobicContact CD1-CD1 3.71Å; A674-I677 PolarHBondContact O-N 2.88Å; A674-I677 VanDerWaalsContact O-N 3.15Å; E675-I677 PolarHBondContact O-N 2.92Å; I677-A692 HydrophobicContact CD1-CB 3.73Å |
| 678 | L | 91.9 | Very high | 91 | Very high | 35 Ų | 35 | 65.6 Ų | 65.6 | 18% | 0.183 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136 | -178.7 | -51 | -178.6 | 0 | 0 | 0 | 109.5 | V497 M690 V691 T693 Y701 | V497-L678 HydrophobicContact CG1-CD1 3.45Å; V497-L678 VanDerWaalsContact CG1-CD1 3.45Å; L678-M690 VanDerWaalsContact O-CA 3.29Å; L678-M690 WeakPolarHBondContact O-CA 3.37Å; L678-V691 HydrophobicContact CB-CG1 3.86Å; L678-V691 HydrophobicContact CD1-CG1 4.39Å; L678-V691 PolarHBondContact N-O 2.94Å; L678-V691 PolarHBondContact O-N 3.12Å; L678-T693 HydrophobicContact CD1-CG2 3.77Å; L678-T693 HydrophobicContact CG-CG2 4.33Å; L678-Y701 HydrophobicContact CD1-CE1 4.34Å |
| 679 | T | 91.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.6 | 176.4 | 55 | 0 | 0 | 0 | 0 | 110.5 | M648 K652 E682 F688 Y689 M690 | M648-T679 HydrophobicContact SD-CG2 3.85Å; K652-T679 VanDerWaalsContact CE-CG2 3.45Å; K652-T679 WeakPolarHBondContact CE-OG1 3.37Å; K652-T679 HydrophobicContact CG-CG2 4.45Å; K652-T679 PolarHBondContact NZ-OG1 3.33Å; T679-E682 PolarHBondContact OG1-OE1 2.96Å; T679-F688 HydrophobicContact CG2-CD2 3.87Å; T679-F688 HydrophobicContact CG2-CE2 4.06Å; T679-Y689 VanDerWaalsContact CA-O 3.23Å; T679-Y689 WeakPolarHBondContact CA-O 3.27Å; T679-M690 HydrophobicContact CG2-CB 4.29Å |
| 680 | Y | 89.8 | Confident | 91.4 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 166.8 | 179.7 | 66.7 | -79.9 | 0 | 0 | 0 | 111.9 | P498 Y621 S622 A625 E682 Y689 | P498-Y680 HydrophobicContact CB-CD1 3.8Å; P498-Y680 HydrophobicContact CB-CG 3.85Å; P498-Y680 HydrophobicContact CG-CD1 3.71Å; P498-Y680 HydrophobicContact CG-CE1 4.11Å; P498-Y680 HydrophobicContact CG-CG 4.21Å; Y621-Y680 AromaticContact CD2-CE1 3.96Å; Y621-Y680 HydrophobicContact CD2-CE1 3.96Å; Y621-Y680 HydrophobicContact CD2-CE2 4.32Å; Y621-Y680 AromaticContact CD2-CZ 3.74Å; Y621-Y680 HydrophobicContact CE2-CD2 4.2Å; Y621-Y680 HydrophobicContact CE2-CE1 4.04Å; Y621-Y680 AromaticContact CE2-CE2 3.69Å; Y621-Y680 HydrophobicContact CE2-CE2 3.69Å; Y621-Y680 AromaticContact CE2-CZ 3.59Å; S622-Y680 PolarHBondContact OG-OH 3.38Å; A625-Y680 HydrophobicContact CB-CE1 4.24Å; A625-Y680 WeakPolarHBondContact CB-OH 3.05Å; Y680-E682 VanDerWaalsContact C-N 3.31Å; Y680-E682 PolarHBondContact O-N 3.13Å; Y680-Y689 VanDerWaalsContact CE1-CB 3.43Å; Y680-Y689 HydrophobicContact CE1-CG 4.44Å; Y680-Y689 HydrophobicContact CE2-CD2 4.18Å; Y680-Y689 HydrophobicContact CE2-CG 4.17Å; Y680-Y689 VanDerWaalsContact CZ-CB 3.43Å; Y680-Y689 AromaticContact CZ-CG 3.97Å; Y680-Y689 PolarHBondContact N-O 3.13Å; Y680-Y689 VanDerWaalsContact N-O 3.13Å; Y680-Y689 PolarHBondContact O-N 2.92Å |
| 681 | E | 85.8 | Confident | 91.6 | Very high | 126 Ų | 126 | 55.6 Ų | 55.6 | 59% | 0.589 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 47.6 | -171.9 | -71.2 | -178.2 | -164 | 0 | 0 | 112.7 | Y689 | E681-Y689 HydrophobicContact CB-CD2 4.06Å; E681-Y689 HydrophobicContact CB-CE2 4.41Å; E681-Y689 WeakPolarHBondContact OE2-CE2 3.49Å |
| 682 | E | 87.9 | Confident | 91.6 | Very high | 102 Ų | 102 | 51.6 Ų | 51.6 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 133.8 | 175.9 | -52.3 | -166.8 | -169 | 0 | 0 | 110.4 | M648 T679 Y680 S687 F688 | M648-E682 VanDerWaalsContact CE-CD 3.47Å; M648-E682 HydrophobicContact CE-CG 4.4Å; M648-E682 WeakPolarHBondContact CE-OE1 3.35Å; M648-E682 WeakPolarHBondContact CE-OE2 3.43Å; T679-E682 PolarHBondContact OG1-OE1 2.96Å; Y680-E682 VanDerWaalsContact C-N 3.31Å; Y680-E682 PolarHBondContact O-N 3.13Å; E682-S687 CarbonylContact C-O 3.55Å; E682-S687 WeakPolarHBondContact CA-O 3.33Å; E682-F688 HydrophobicContact CB-CB 4.37Å; E682-F688 HydrophobicContact CG-CB 3.85Å |
| 683 | T | 88.4 | Confident | 91.5 | Very high | 58 Ų | 58 | 52 Ų | 52 | 36% | 0.356 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.2 | -175.3 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | R685 I686 S687 | T683-R685 PolarHBondContact O-N 2.86Å; T683-I686 WeakPolarHBondContact O-CA 3.49Å; T683-I686 PolarHBondContact O-N 3.13Å; T683-S687 PolarHBondContact N-O 2.62Å; T683-S687 WeakPolarHBondContact OG1-CA 3.48Å; T683-S687 WeakPolarHBondContact OG1-CB 3.32Å; T683-S687 PolarHBondContact OG1-N 3.18Å; T683-S687 PolarHBondContact OG1-O 3.37Å; T683-S687 PolarHBondContact OG1-OG 2.92Å |
| 684 | P | 84.9 | Confident | 91.3 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 90% | 0.896 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19 | 176.4 | -26.5 | 35.1 | 0 | 0 | 0 | 114.9 | I686 | P684-I686 PolarHBondContact O-N 3.35Š|
| 685 | R | 87.6 | Confident | 91 | Very high | 222 Ų | 222 | 52.3 Ų | 52.3 | 84% | 0.838 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 14.4 | 173.7 | -65.5 | -173.2 | -179.8 | -175 | 0.9 | 113.1 | T683 | T683-R685 PolarHBondContact O-N 2.86Š|
| 686 | I | 91.9 | Very high | 90.5 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 57.8 | -177.4 | -40.9 | 166.5 | 0 | 0 | 0 | 110.8 | I630 L632 W643 T683 P684 F688 | I630-I686 HydrophobicContact CB-CB 3.97Å; I630-I686 HydrophobicContact CB-CG2 3.58Å; I630-I686 HydrophobicContact CD1-CG2 3.88Å; I630-I686 HydrophobicContact CG1-CG2 3.92Å; I630-I686 HydrophobicContact CG2-CG2 4.27Å; I630-I686 PolarHBondContact N-O 3.2Å; L632-I686 HydrophobicContact CD1-CD1 3.56Å; L632-I686 HydrophobicContact CG-CD1 3.77Å; W643-I686 HydrophobicContact CB-CD1 3.65Å; W643-I686 HydrophobicContact CB-CG1 4.01Å; W643-I686 HydrophobicContact CB-CG2 4.25Å; W643-I686 HydrophobicContact CD2-CG2 3.66Å; W643-I686 HydrophobicContact CE3-CG2 4.3Å; W643-I686 HydrophobicContact CG-CD1 4.18Å; W643-I686 HydrophobicContact CG-CG1 4.25Å; W643-I686 HydrophobicContact CG-CG2 3.6Å; T683-I686 WeakPolarHBondContact O-CA 3.49Å; T683-I686 PolarHBondContact O-N 3.13Å; P684-I686 PolarHBondContact O-N 3.35Å; I686-F688 HydrophobicContact CG2-CE1 4.36Å |
| 687 | S | 94.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.6 | 166.6 | 78 | 0 | 0 | 0 | 0 | 110.2 | V628 E682 T683 | V628-S687 WeakPolarHBondContact O-CA 3.36Å; V628-S687 WeakPolarHBondContact O-CB 3.45Å; E682-S687 CarbonylContact C-O 3.55Å; E682-S687 WeakPolarHBondContact CA-O 3.33Å; T683-S687 PolarHBondContact N-O 2.62Å; T683-S687 WeakPolarHBondContact OG1-CA 3.48Å; T683-S687 WeakPolarHBondContact OG1-CB 3.32Å; T683-S687 PolarHBondContact OG1-N 3.18Å; T683-S687 PolarHBondContact OG1-O 3.37Å; T683-S687 PolarHBondContact OG1-OG 2.92Å |
| 688 | F | 94.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 163.3 | -176.5 | 51.1 | -92.2 | 0 | 0 | 0 | 109.8 | V628 I630 W643 M648 F651 T679 E682 I686 | V628-F688 HydrophobicContact CB-CD2 4.11Å; V628-F688 HydrophobicContact CB-CE1 4.5Å; V628-F688 HydrophobicContact CB-CE2 3.76Å; V628-F688 HydrophobicContact CB-CZ 3.97Å; V628-F688 HydrophobicContact CG1-CE1 4.39Å; V628-F688 HydrophobicContact CG1-CE2 4.09Å; V628-F688 HydrophobicContact CG1-CZ 3.84Å; V628-F688 HydrophobicContact CG2-CD2 4.35Å; V628-F688 HydrophobicContact CG2-CE2 3.92Å; V628-F688 PolarHBondContact N-O 2.86Å; V628-F688 PolarHBondContact O-N 3.3Å; V628-F688 VanDerWaalsContact O-N 3.17Å; I630-F688 HydrophobicContact CD1-CE1 3.96Å; I630-F688 HydrophobicContact CD1-CZ 4.16Å; I630-F688 HydrophobicContact CG1-CE1 4.46Å; W643-F688 HydrophobicContact CZ2-CE1 4.1Å; W643-F688 HydrophobicContact CZ2-CZ 4.24Å; M648-F688 HydrophobicContact CE-CD1 3.76Å; M648-F688 HydrophobicContact CE-CD2 4.26Å; M648-F688 HydrophobicContact CE-CE1 3.69Å; M648-F688 HydrophobicContact CE-CE2 4.18Å; M648-F688 HydrophobicContact CE-CG 4.06Å; M648-F688 HydrophobicContact CE-CZ 3.9Å; M648-F688 HydrophobicContact SD-CE2 4.34Å; M648-F688 HydrophobicContact SD-CZ 4.25Å; F651-F688 AromaticContact CD1-CE2 3.94Å; F651-F688 HydrophobicContact CD1-CE2 3.94Å; F651-F688 AromaticContact CD1-CZ 3.97Å; F651-F688 HydrophobicContact CD1-CZ 3.97Å; F651-F688 HydrophobicContact CD2-CZ 4.49Å; F651-F688 AromaticContact CE1-CE2 3.51Å; F651-F688 HydrophobicContact CE1-CE2 3.51Å; F651-F688 AromaticContact CE1-CZ 3.85Å; F651-F688 HydrophobicContact CE1-CZ 3.85Å; F651-F688 HydrophobicContact CE2-CZ 4.36Å; F651-F688 HydrophobicContact CG-CZ 4.31Å; F651-F688 AromaticContact CZ-CE2 3.92Å; F651-F688 HydrophobicContact CZ-CE2 3.92Å; F651-F688 HydrophobicContact CZ-CZ 4.04Å; T679-F688 HydrophobicContact CG2-CD2 3.87Å; T679-F688 HydrophobicContact CG2-CE2 4.06Å; E682-F688 HydrophobicContact CB-CB 4.37Å; E682-F688 HydrophobicContact CG-CB 3.85Å; I686-F688 HydrophobicContact CG2-CE1 4.36Å |
| 689 | Y | 93.9 | Very high | 87.7 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 148.4 | 168.2 | -68.1 | -93.6 | 0 | 0 | 0 | 109.8 | A625 K627 T679 Y680 E681 | A625-Y689 HydrophobicContact CB-CD1 4.19Å; K627-Y689 HydrophobicContact CB-CD1 3.84Å; K627-Y689 HydrophobicContact CB-CE1 3.64Å; K627-Y689 HydrophobicContact CD-CE1 4.06Å; K627-Y689 HydrophobicContact CD-CE2 4.4Å; K627-Y689 HydrophobicContact CG-CD1 4.36Å; K627-Y689 HydrophobicContact CG-CE1 4.05Å; K627-Y689 PolarHBondContact NZ-OH 3.03Å; T679-Y689 VanDerWaalsContact CA-O 3.23Å; T679-Y689 WeakPolarHBondContact CA-O 3.27Å; Y680-Y689 VanDerWaalsContact CE1-CB 3.43Å; Y680-Y689 HydrophobicContact CE1-CG 4.44Å; Y680-Y689 HydrophobicContact CE2-CD2 4.18Å; Y680-Y689 HydrophobicContact CE2-CG 4.17Å; Y680-Y689 VanDerWaalsContact CZ-CB 3.43Å; Y680-Y689 AromaticContact CZ-CG 3.97Å; Y680-Y689 PolarHBondContact N-O 3.13Å; Y680-Y689 VanDerWaalsContact N-O 3.13Å; Y680-Y689 PolarHBondContact O-N 2.92Å; E681-Y689 HydrophobicContact CB-CD2 4.06Å; E681-Y689 HydrophobicContact CB-CE2 4.41Å; E681-Y689 WeakPolarHBondContact OE2-CE2 3.49Å |
| 690 | M | 94.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.8 | 171.8 | 70.4 | 176.4 | -172.5 | 0 | 0 | 111.2 | A625 T626 V628 F651 I655 L678 T679 M707 V711 F731 | A625-M690 WeakPolarHBondContact CA-O 3.35Å; T626-M690 HydrophobicContact CG2-CE 4.09Å; T626-M690 PolarHBondContact N-O 3.21Å; T626-M690 PolarHBondContact O-N 3.45Å; V628-M690 HydrophobicContact CG2-CE 4.29Å; V628-M690 HydrophobicContact CG2-CG 3.99Å; V628-M690 HydrophobicContact CG2-SD 3.83Å; F651-M690 HydrophobicContact CE1-SD 3.83Å; F651-M690 HydrophobicContact CZ-SD 3.73Å; I655-M690 HydrophobicContact CD1-CE 4.3Å; I655-M690 HydrophobicContact CD1-SD 4.11Å; I655-M690 HydrophobicContact CG1-SD 4.07Å; I655-M690 HydrophobicContact CG2-SD 4.45Å; L678-M690 VanDerWaalsContact O-CA 3.29Å; L678-M690 WeakPolarHBondContact O-CA 3.37Å; T679-M690 HydrophobicContact CG2-CB 4.29Å; M690-M707 HydrophobicContact CE-CG 4.21Å; M690-M707 HydrophobicContact CE-SD 3.97Å; M690-V711 HydrophobicContact CE-CG2 3.96Å; M690-F731 HydrophobicContact CE-CD1 3.58Å; M690-F731 HydrophobicContact CE-CE1 3.58Å; M690-F731 HydrophobicContact SD-CE1 4.15Å |
| 691 | V | 94.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 152 | 171.8 | 68.2 | 0 | 0 | 0 | 0 | 108.9 | P498 L678 Y701 | P498-V691 HydrophobicContact CG-CG1 4.4Å; L678-V691 HydrophobicContact CB-CG1 3.86Å; L678-V691 HydrophobicContact CD1-CG1 4.39Å; L678-V691 PolarHBondContact N-O 2.94Å; L678-V691 PolarHBondContact O-N 3.12Å; V691-Y701 HydrophobicContact CB-CD1 4.41Å; V691-Y701 HydrophobicContact CG1-CD1 4.16Å; V691-Y701 HydrophobicContact CG1-CE1 3.81Å; V691-Y701 HydrophobicContact CG2-CD1 3.39Å; V691-Y701 HydrophobicContact CG2-CE1 3.9Å; V691-Y701 HydrophobicContact CG2-CG 4.15Å |
| 692 | A | 94 | Very high | 87.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L659 N676 I677 Y701 I702 M707 | L659-A692 HydrophobicContact CD1-CB 3.61Å; N676-A692 CarbonylContact O-C 3.55Å; N676-A692 VanDerWaalsContact O-CA 3.24Å; N676-A692 WeakPolarHBondContact O-CA 3.18Å; I677-A692 HydrophobicContact CD1-CB 3.73Å; A692-Y701 WeakPolarHBondContact O-CA 3.34Å; A692-I702 HydrophobicContact CB-CB 4.08Å; A692-I702 HydrophobicContact CB-CG1 3.86Å; A692-I702 PolarHBondContact O-N 2.97Å; A692-M707 HydrophobicContact CB-CE 3.31Å |
| 693 | T | 91.8 | Very high | 87.7 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 152.9 | 170.5 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | F672 N676 L678 P698 T700 Y701 | F672-T693 WeakPolarHBondContact CE1-O 3.46Å; N676-T693 PolarHBondContact O-N 3.35Å; N676-T693 PolarHBondContact O-OG1 3.15Å; L678-T693 HydrophobicContact CD1-CG2 3.77Å; L678-T693 HydrophobicContact CG-CG2 4.33Å; T693-P698 WeakPolarHBondContact CB-O 3.49Å; T693-P698 VanDerWaalsContact CG2-O 3.25Å; T693-P698 WeakPolarHBondContact CG2-O 3.18Å; T693-T700 CarbonylContact C-O 3.21Å; T693-T700 WeakPolarHBondContact CA-O 3.47Å; T693-Y701 HydrophobicContact CG2-CD1 3.97Å; T693-Y701 HydrophobicContact CG2-CE1 3.76Å |
| 694 | H | 89.7 | Confident | 87.8 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.6 | 178.8 | -174 | -86 | 0 | 0 | 0 | 110.8 | L670 G696 N697 T700 I702 | L670-H694 WeakPolarHBondContact CD2-NE2 3.32Å; H694-G696 VanDerWaalsContact C-N 3.3Å; H694-G696 PolarHBondContact ND1-N 3.34Å; H694-G696 VanDerWaalsContact ND1-N 3.18Å; H694-G696 PolarHBondContact O-N 2.93Å; H694-N697 WeakPolarHBondContact CB-O 3.31Å; H694-N697 PolarHBondContact ND1-N 2.9Å; H694-N697 CarbonylContact O-C 3.55Å; H694-N697 PolarHBondContact O-N 2.81Å; H694-N697 VanDerWaalsContact O-O 3.09Å; H694-T700 PolarHBondContact N-O 3.03Å; H694-I702 HydrophobicContact CB-CD1 4.14Å |
| 695 | P | 86.3 | Confident | 88.2 | Confident | 29 Ų | 29 | 44 Ų | 44 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -32.8 | -173.4 | -25.2 | 35.9 | 0 | 0 | 0 | 114.2 | L670 P671 F672 | L670-P695 HydrophobicContact CB-CG 4.27Å; P671-P695 HydrophobicContact CG-CB 4.15Å; F672-P695 HydrophobicContact CB-CG 4.23Å; F672-P695 HydrophobicContact CD1-CG 3.51Å; F672-P695 HydrophobicContact CD2-CG 3.89Å; F672-P695 VanDerWaalsContact CE1-CD 3.49Å; F672-P695 HydrophobicContact CE1-CG 3.72Å; F672-P695 HydrophobicContact CE2-CG 4.07Å; F672-P695 HydrophobicContact CG-CG 3.59Å; F672-P695 HydrophobicContact CZ-CG 4Å |
| 696 | G | 78.8 | Confident | 88.4 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 67% | 0.67 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H694 | H694-G696 VanDerWaalsContact C-N 3.3Å; H694-G696 PolarHBondContact ND1-N 3.34Å; H694-G696 VanDerWaalsContact ND1-N 3.18Å; H694-G696 PolarHBondContact O-N 2.93Å |
| 697 | N | 77.7 | Confident | 88.5 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 15% | 0.15 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 88.6 | 176.8 | -169.9 | 13.3 | 0 | 0 | 0 | 110 | K139 E163 H694 S699 T700 | K139-N697 PolarHBondContact NZ-OD1 3.05Å; E163-N697 PolarHBondContact OE2-ND2 2.84Å; E163-N697 PolarHBondContact OE2-OD1 2.88Å; H694-N697 WeakPolarHBondContact CB-O 3.31Å; H694-N697 PolarHBondContact ND1-N 2.9Å; H694-N697 CarbonylContact O-C 3.55Å; H694-N697 PolarHBondContact O-N 2.81Å; H694-N697 VanDerWaalsContact O-O 3.09Å; N697-S699 PolarHBondContact O-N 3.44Å; N697-T700 PolarHBondContact ND2-OG1 3.19Å; N697-T700 PolarHBondContact O-N 2.87Å |
| 698 | P | 72.9 | Confident | 88.4 | Confident | 65 Ų | 65 | 34.5 Ų | 34.5 | 42% | 0.422 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | -18.5 | -175.7 | -26.2 | 35.7 | 0 | 0 | 0 | 114.5 | T693 T700 | T693-P698 WeakPolarHBondContact CB-O 3.49Å; T693-P698 VanDerWaalsContact CG2-O 3.25Å; T693-P698 WeakPolarHBondContact CG2-O 3.18Å; P698-T700 VanDerWaalsContact C-N 3.33Å |
| 699 | S | 70.1 | Confident | 88.3 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -13.5 | 179.3 | -65 | 0 | 0 | 0 | 0 | 113.8 | E163 L166 N697 | E163-S699 PolarHBondContact O-OG 3.32Å; E163-S699 VanDerWaalsContact OE2-C 3.28Å; E163-S699 WeakPolarHBondContact OE2-CB 3.46Å; L166-S699 WeakPolarHBondContact CB-OG 3.45Å; L166-S699 WeakPolarHBondContact CG-OG 3.29Å; N697-S699 PolarHBondContact O-N 3.44Å |
| 700 | T | 82.6 | Confident | 88.3 | Confident | 57 Ų | 57 | 32.7 Ų | 32.7 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.7 | 177.9 | -53 | 0 | 0 | 0 | 0 | 111.5 | E163 T693 H694 N697 P698 | E163-T700 PolarHBondContact OE2-OG1 3.4Å; E163-T700 VanDerWaalsContact OE2-OG1 3.08Å; T693-T700 CarbonylContact C-O 3.21Å; T693-T700 WeakPolarHBondContact CA-O 3.47Å; H694-T700 PolarHBondContact N-O 3.03Å; N697-T700 PolarHBondContact ND2-OG1 3.19Å; N697-T700 PolarHBondContact O-N 2.87Å; P698-T700 VanDerWaalsContact C-N 3.33Å |
| 701 | Y | 89.6 | Confident | 88.3 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 9% | 0.09 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 141.1 | 174.4 | -68.9 | -70.4 | 0 | 0 | 0 | 112.5 | P496 V497 Y624 L678 V691 A692 T693 | P496-Y701 PolarHBondContact O-OH 3.22Å; V497-Y701 WeakPolarHBondContact CA-OH 3.37Å; Y624-Y701 VanDerWaalsContact CD2-CB 3.49Å; Y624-Y701 AromaticContact CD2-CD2 3.86Å; Y624-Y701 HydrophobicContact CD2-CD2 3.86Å; Y624-Y701 AromaticContact CD2-CG 3.8Å; Y624-Y701 HydrophobicContact CD2-CG 3.8Å; Y624-Y701 HydrophobicContact CE2-CD2 4.03Å; Y624-Y701 HydrophobicContact CE2-CG 4.29Å; Y624-Y701 HydrophobicContact CG-CG 4.34Å; L678-Y701 HydrophobicContact CD1-CE1 4.34Å; V691-Y701 HydrophobicContact CB-CD1 4.41Å; V691-Y701 HydrophobicContact CG1-CD1 4.16Å; V691-Y701 HydrophobicContact CG1-CE1 3.81Å; V691-Y701 HydrophobicContact CG2-CD1 3.39Å; V691-Y701 HydrophobicContact CG2-CE1 3.9Å; V691-Y701 HydrophobicContact CG2-CG 4.15Å; A692-Y701 WeakPolarHBondContact O-CA 3.34Å; T693-Y701 HydrophobicContact CG2-CD1 3.97Å; T693-Y701 HydrophobicContact CG2-CE1 3.76Å |
| 702 | I | 92.7 | Very high | 88.2 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 131.9 | 171 | -58.7 | -55.8 | 0 | 0 | 0 | 109.1 | L659 Y663 F672 A692 H694 K704 D706 | L659-I702 HydrophobicContact CD2-CG2 4.43Å; Y663-I702 HydrophobicContact CE2-CG2 4.37Å; F672-I702 HydrophobicContact CE1-CD1 3.98Å; F672-I702 HydrophobicContact CE1-CG1 3.78Å; F672-I702 HydrophobicContact CZ-CD1 3.72Å; F672-I702 HydrophobicContact CZ-CG1 3.91Å; A692-I702 HydrophobicContact CB-CB 4.08Å; A692-I702 HydrophobicContact CB-CG1 3.86Å; A692-I702 PolarHBondContact O-N 2.97Å; H694-I702 HydrophobicContact CB-CD1 4.14Å; I702-K704 PolarHBondContact O-N 3.42Å; I702-D706 HydrophobicContact CG2-CB 4.04Å |
| 703 | H | 91.5 | Very high | 88.1 | Confident | 111 Ų | 111 | 41.1 Ų | 41.1 | 51% | 0.514 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 138.5 | -178.8 | -157.6 | -94.8 | 0 | 0 | 0 | 110.9 | S705 D706 M707 | H703-S705 PolarHBondContact ND1-OG 3.01Å; H703-S705 PolarHBondContact O-N 3.4Å; H703-S705 VanDerWaalsContact O-N 3.13Å; H703-D706 PolarHBondContact O-N 3.44Å; H703-M707 PolarHBondContact O-N 2.89Å |
| 704 | K | 90.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 42.4 Ų | 42.4 | 30% | 0.296 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.9 | -38.3 | -175.5 | -175.9 | 168 | 178.1 | 160.6 | 0 | 112.5 | A625 I702 D706 M707 E708 | A625-K704 WeakPolarHBondContact O-CE 3.38Å; A625-K704 PolarHBondContact O-NZ 3.36Å; I702-K704 PolarHBondContact O-N 3.42Å; K704-D706 VanDerWaalsContact C-N 3.32Å; K704-D706 PolarHBondContact O-N 3.41Å; K704-M707 WeakPolarHBondContact O-CB 3.24Å; K704-M707 PolarHBondContact O-N 2.86Å; K704-E708 WeakPolarHBondContact CE-OE1 3.33Å; K704-E708 HydrophobicContact CG-CG 4.31Å; K704-E708 VanDerWaalsContact O-CG 3.32Å; K704-E708 WeakPolarHBondContact O-CG 3.36Å; K704-E708 PolarHBondContact O-N 2.9Å |
| 705 | S | 91.9 | Very high | 88.3 | Confident | 59 Ų | 59 | 40 Ų | 40 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.3 | -37.8 | 177.4 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | H703 A709 | H703-S705 PolarHBondContact ND1-OG 3.01Å; H703-S705 PolarHBondContact O-N 3.4Å; H703-S705 VanDerWaalsContact O-N 3.13Å; S705-A709 WeakPolarHBondContact O-CB 3.22Å; S705-A709 PolarHBondContact O-N 3.08Å |
| 706 | D | 93.4 | Very high | 88.5 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.7 | -38.9 | 179.2 | -78.8 | -13.9 | 0 | 0 | 0 | 110.7 | Y662 Y663 K666 I702 H703 K704 A709 A710 | Y662-D706 HydrophobicContact CE1-CB 3.87Å; Y662-D706 PolarHBondContact OH-OD1 3.37Å; Y662-D706 VanDerWaalsContact OH-OD1 3.13Å; Y663-D706 PolarHBondContact OH-OD2 3.3Å; Y663-D706 VanDerWaalsContact OH-OD2 3.13Å; K666-D706 IonicContact NZ-OD1 3.89Å; K666-D706 PolarHBondContact NZ-OD1 3.33Å; K666-D706 IonicContact NZ-OD2 2.96Å; I702-D706 HydrophobicContact CG2-CB 4.04Å; H703-D706 PolarHBondContact O-N 3.44Å; K704-D706 VanDerWaalsContact C-N 3.32Å; K704-D706 PolarHBondContact O-N 3.41Å; D706-A709 PolarHBondContact O-N 2.9Å; D706-A710 WeakPolarHBondContact O-CB 3.4Å; D706-A710 PolarHBondContact O-N 2.83Å |
| 707 | M | 93.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 170.1 | 176.8 | 62.3 | 76.1 | 0 | 0 | 111.1 | I655 L659 M690 A692 H703 K704 A709 A710 V711 | I655-M707 HydrophobicContact CG2-CE 4.11Å; I655-M707 HydrophobicContact CG2-SD 3.86Å; L659-M707 HydrophobicContact CD1-CE 3.83Å; L659-M707 HydrophobicContact CD1-SD 4.42Å; L659-M707 HydrophobicContact CD2-CE 4.46Å; L659-M707 HydrophobicContact CD2-SD 4.36Å; M690-M707 HydrophobicContact CE-CG 4.21Å; M690-M707 HydrophobicContact CE-SD 3.97Å; A692-M707 HydrophobicContact CB-CE 3.31Å; H703-M707 PolarHBondContact O-N 2.89Å; K704-M707 WeakPolarHBondContact O-CB 3.24Å; K704-M707 PolarHBondContact O-N 2.86Å; M707-A709 VanDerWaalsContact C-N 3.33Å; M707-A709 PolarHBondContact O-N 2.88Å; M707-A710 PolarHBondContact O-N 3.17Å; M707-V711 WeakPolarHBondContact O-CB 3.28Å; M707-V711 VanDerWaalsContact O-CG2 3.31Å; M707-V711 WeakPolarHBondContact O-CG2 3.46Å; M707-V711 PolarHBondContact O-N 3.46Å; M707-V711 HydrophobicContact SD-CG2 4.02Å |
| 708 | E | 93.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 43.2 Ų | 43.2 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 178.5 | -71.7 | -175.7 | -170 | 0 | 0 | 112.1 | K704 R712 I734 | K704-E708 WeakPolarHBondContact CE-OE1 3.33Å; K704-E708 HydrophobicContact CG-CG 4.31Å; K704-E708 VanDerWaalsContact O-CG 3.32Å; K704-E708 WeakPolarHBondContact O-CG 3.36Å; K704-E708 PolarHBondContact O-N 2.9Å; E708-R712 WeakPolarHBondContact O-CB 3.34Å; E708-R712 VanDerWaalsContact O-CG 3.24Å; E708-R712 WeakPolarHBondContact O-CG 3.28Å; E708-R712 PolarHBondContact O-N 2.9Å; E708-R712 IonicContact OE2-CZ 3.72Å; E708-R712 IonicContact OE2-NH1 3.84Å; E708-R712 IonicContact OE2-NH2 3.66Å; E708-R712 PolarHBondContact OE2-NH2 3.09Å; E708-I734 HydrophobicContact CB-CD1 4.04Å; E708-I734 HydrophobicContact CB-CG1 4.27Å; E708-I734 HydrophobicContact CG-CD1 3.83Å; E708-I734 HydrophobicContact CG-CG1 3.84Å |
| 709 | A | 92.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 23% | 0.231 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y662 S705 D706 M707 R712 L713 | Y662-A709 HydrophobicContact CD2-CB 4.37Å; Y662-A709 HydrophobicContact CE2-CB 3.53Å; S705-A709 WeakPolarHBondContact O-CB 3.22Å; S705-A709 PolarHBondContact O-N 3.08Å; D706-A709 PolarHBondContact O-N 2.9Å; M707-A709 VanDerWaalsContact C-N 3.33Å; M707-A709 PolarHBondContact O-N 2.88Å; A709-R712 PolarHBondContact O-N 3.19Å; A709-L713 WeakPolarHBondContact O-CB 3.47Å; A709-L713 PolarHBondContact O-N 2.96Å |
| 710 | A | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L659 Y662 D706 M707 L713 Y714 | L659-A710 HydrophobicContact CD2-CB 3.75Å; L659-A710 HydrophobicContact CG-CB 4.34Å; Y662-A710 HydrophobicContact CD1-CB 4.15Å; Y662-A710 HydrophobicContact CD2-CB 4.35Å; Y662-A710 HydrophobicContact CG-CB 3.79Å; D706-A710 WeakPolarHBondContact O-CB 3.4Å; D706-A710 PolarHBondContact O-N 2.83Å; M707-A710 PolarHBondContact O-N 3.17Å; A710-L713 PolarHBondContact O-N 2.69Å; A710-Y714 PolarHBondContact O-N 3.05Å; A710-Y714 VanDerWaalsContact O-N 3.15Å |
| 711 | V | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I655 M690 M707 L713 Y714 R715 F731 I734 | I655-V711 HydrophobicContact CD1-CG2 4.11Å; M690-V711 HydrophobicContact CE-CG2 3.96Å; M707-V711 WeakPolarHBondContact O-CB 3.28Å; M707-V711 VanDerWaalsContact O-CG2 3.31Å; M707-V711 WeakPolarHBondContact O-CG2 3.46Å; M707-V711 PolarHBondContact O-N 3.46Å; M707-V711 HydrophobicContact SD-CG2 4.02Å; V711-L713 VanDerWaalsContact C-N 3.33Å; V711-L713 PolarHBondContact O-N 3.42Å; V711-Y714 CarbonylContact O-C 3.59Å; V711-Y714 PolarHBondContact O-N 3.17Å; V711-R715 VanDerWaalsContact O-CA 3.28Å; V711-R715 WeakPolarHBondContact O-CA 3.4Å; V711-R715 VanDerWaalsContact O-CB 3.28Å; V711-R715 WeakPolarHBondContact O-CB 3.31Å; V711-R715 PolarHBondContact O-N 3.41Å; V711-F731 HydrophobicContact CG1-CD1 3.89Å; V711-F731 HydrophobicContact CG1-CD2 3.7Å; V711-F731 HydrophobicContact CG1-CE1 3.92Å; V711-F731 HydrophobicContact CG1-CE2 3.75Å; V711-F731 HydrophobicContact CG1-CG 3.78Å; V711-F731 HydrophobicContact CG1-CZ 3.86Å; V711-F731 HydrophobicContact CG2-CE1 4.39Å; V711-I734 HydrophobicContact CB-CD1 3.94Å; V711-I734 HydrophobicContact CG1-CD1 3.84Å |
| 712 | R | 92.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 176.5 | -76.7 | 177 | -171.6 | 131.4 | 14.5 | 111.9 | E708 A709 Y714 I734 | E708-R712 WeakPolarHBondContact O-CB 3.34Å; E708-R712 VanDerWaalsContact O-CG 3.24Å; E708-R712 WeakPolarHBondContact O-CG 3.28Å; E708-R712 PolarHBondContact O-N 2.9Å; E708-R712 IonicContact OE2-CZ 3.72Å; E708-R712 IonicContact OE2-NH1 3.84Å; E708-R712 IonicContact OE2-NH2 3.66Å; E708-R712 PolarHBondContact OE2-NH2 3.09Å; A709-R712 PolarHBondContact O-N 3.19Å; R712-Y714 VanDerWaalsContact C-N 3.33Å; R712-Y714 PolarHBondContact O-N 3.33Å; R712-I734 HydrophobicContact CG-CG2 3.35Å |
| 713 | L | 91.9 | Very high | 93.2 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 45% | 0.445 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67 | -34.1 | -175.9 | -175.8 | 60.8 | 0 | 0 | 0 | 112.8 | Y662 A709 A710 V711 | Y662-L713 HydrophobicContact CD2-CD2 4.34Å; A709-L713 WeakPolarHBondContact O-CB 3.47Å; A709-L713 PolarHBondContact O-N 2.96Å; A710-L713 PolarHBondContact O-N 2.69Å; V711-L713 VanDerWaalsContact C-N 3.33Å; V711-L713 PolarHBondContact O-N 3.42Å |
| 714 | Y | 93.5 | Very high | 93.3 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -110.8 | 13.1 | -176.6 | -68.4 | -78 | 0 | 0 | 0 | 114 | Y657 A658 Q661 Q665 A710 V711 R712 G716 R717 I718 | Y657-Y714 HydrophobicContact CE1-CD1 4.03Å; Y657-Y714 HydrophobicContact CE1-CE1 4.28Å; A658-Y714 HydrophobicContact CB-CD2 4Å; A658-Y714 HydrophobicContact CB-CG 4.1Å; Q661-Y714 HydrophobicContact CB-CD2 4.33Å; Q661-Y714 HydrophobicContact CB-CE1 3.97Å; Q661-Y714 HydrophobicContact CB-CE2 3.44Å; Q661-Y714 VanDerWaalsContact CB-CE2 3.44Å; Q661-Y714 WeakPolarHBondContact CB-OH 3.34Å; Q661-Y714 HydrophobicContact CG-CE1 4.15Å; Q661-Y714 HydrophobicContact CG-CE2 4.39Å; Q665-Y714 PolarHBondContact NE2-OH 3.27Å; Q665-Y714 VanDerWaalsContact NE2-OH 3.12Å; A710-Y714 PolarHBondContact O-N 3.05Å; A710-Y714 VanDerWaalsContact O-N 3.15Å; V711-Y714 CarbonylContact O-C 3.59Å; V711-Y714 PolarHBondContact O-N 3.17Å; R712-Y714 VanDerWaalsContact C-N 3.33Å; R712-Y714 PolarHBondContact O-N 3.33Å; Y714-G716 PolarHBondContact O-N 3.25Å; Y714-R717 PolarHBondContact O-N 3.41Å; Y714-R717 VanDerWaalsContact O-N 3.08Å; Y714-I718 WeakPolarHBondContact O-CG1 3.49Å; Y714-I718 PolarHBondContact O-N 2.89Å; Y714-I718 VanDerWaalsContact O-N 3.09Å |
| 715 | R | 91.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.4 | -46.2 | -174.2 | -165.1 | 169.1 | -177.8 | 157.7 | 2.7 | 112.9 | V711 R717 I718 N719 D726 L729 I734 V735 | V711-R715 VanDerWaalsContact O-CA 3.28Å; V711-R715 WeakPolarHBondContact O-CA 3.4Å; V711-R715 VanDerWaalsContact O-CB 3.28Å; V711-R715 WeakPolarHBondContact O-CB 3.31Å; V711-R715 PolarHBondContact O-N 3.41Å; R715-R717 VanDerWaalsContact C-N 3.3Å; R715-R717 PolarHBondContact O-N 2.98Å; R715-I718 PolarHBondContact O-N 2.89Å; R715-N719 WeakPolarHBondContact O-CB 3.5Å; R715-N719 VanDerWaalsContact O-CG 3.27Å; R715-N719 PolarHBondContact O-N 3.41Å; R715-N719 PolarHBondContact O-OD1 3.34Å; R715-D726 VanDerWaalsContact CD-OD1 3.24Å; R715-D726 WeakPolarHBondContact CD-OD1 3.31Å; R715-D726 IonicContact CZ-OD1 3.54Å; R715-D726 IonicContact NE-OD1 2.76Å; R715-D726 PolarHBondContact NE-OD1 2.83Å; R715-D726 PolarHBondContact NH2-O 3.3Å; R715-D726 IonicContact NH2-OD1 3.86Å; R715-L729 PolarHBondContact NH2-O 3.35Å; R715-I734 PolarHBondContact NH1-O 3.28Å; R715-V735 PolarHBondContact NH1-O 3.11Å |
| 716 | G | 90.9 | Very high | 93.2 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.7 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y714 N719 E720 | Y714-G716 PolarHBondContact O-N 3.25Å; G716-N719 PolarHBondContact O-N 3.48Å; G716-E720 WeakPolarHBondContact O-CB 3.46Å; G716-E720 VanDerWaalsContact O-CG 3.31Å; G716-E720 WeakPolarHBondContact O-CG 3.46Å; G716-E720 PolarHBondContact O-N 3.43Å |
| 717 | R | 93.8 | Very high | 93 | Very high | 142 Ų | 142 | 52.9 Ų | 52.9 | 54% | 0.536 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.3 | -36.2 | 178.8 | -172.6 | 173.2 | -179.6 | 156.2 | 1 | 112.6 | Y657 Y714 R715 A721 | Y657-R717 VanDerWaalsContact CZ-NH1 3.28Å; Y657-R717 PolarHBondContact OH-NH1 2.81Å; Y714-R717 PolarHBondContact O-N 3.41Å; Y714-R717 VanDerWaalsContact O-N 3.08Å; R715-R717 VanDerWaalsContact C-N 3.3Å; R715-R717 PolarHBondContact O-N 2.98Å; R717-A721 PolarHBondContact O-N 3.04Å |
| 718 | I | 95 | Very high | 93 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -49.7 | 174.8 | -62 | 163.4 | 0 | 0 | 0 | 109 | I655 A658 Y714 R715 E720 A721 F722 L729 F731 | I655-I718 HydrophobicContact CD1-CD1 3.92Å; A658-I718 HydrophobicContact CB-CD1 4.41Å; Y714-I718 WeakPolarHBondContact O-CG1 3.49Å; Y714-I718 PolarHBondContact O-N 2.89Å; Y714-I718 VanDerWaalsContact O-N 3.09Å; R715-I718 PolarHBondContact O-N 2.89Å; I718-E720 PolarHBondContact O-N 3.15Å; I718-A721 WeakPolarHBondContact O-CB 3.35Å; I718-A721 PolarHBondContact O-N 3.33Å; I718-F722 HydrophobicContact CG2-CD2 4.38Å; I718-F722 HydrophobicContact CG2-CE2 4.41Å; I718-F722 VanDerWaalsContact O-CD2 3.29Å; I718-F722 WeakPolarHBondContact O-CD2 3.47Å; I718-L729 HydrophobicContact CG2-CD2 3.76Å; I718-F731 HydrophobicContact CG2-CZ 4.3Å |
| 719 | N | 94.4 | Very high | 93 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.8 | -48.9 | 177 | -75.8 | 3.8 | 0 | 0 | 0 | 112.2 | R715 G716 A721 F722 Q723 L724 D726 | R715-N719 WeakPolarHBondContact O-CB 3.5Å; R715-N719 VanDerWaalsContact O-CG 3.27Å; R715-N719 PolarHBondContact O-N 3.41Å; R715-N719 PolarHBondContact O-OD1 3.34Å; G716-N719 PolarHBondContact O-N 3.48Å; N719-A721 VanDerWaalsContact C-N 3.3Å; N719-A721 PolarHBondContact O-N 2.9Å; N719-F722 PolarHBondContact O-N 3.23Å; N719-F722 VanDerWaalsContact O-N 3.15Å; N719-Q723 PolarHBondContact O-N 2.76Å; N719-L724 CarbonylContact C-O 3.54Å; N719-L724 VanDerWaalsContact CB-O 3.31Å; N719-L724 WeakPolarHBondContact CB-O 3.42Å; N719-L724 PolarHBondContact O-N 2.79Å; N719-D726 PolarHBondContact ND2-OD1 2.94Å |
| 720 | E | 94 | Very high | 93.1 | Very high | 154 Ų | 154 | 53.5 Ų | 53.5 | 72% | 0.72 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.2 | -39.1 | 177.9 | -78.9 | 174.4 | -174 | 0 | 0 | 112.8 | G716 I718 F722 Q723 | G716-E720 WeakPolarHBondContact O-CB 3.46Å; G716-E720 VanDerWaalsContact O-CG 3.31Å; G716-E720 WeakPolarHBondContact O-CG 3.46Å; G716-E720 PolarHBondContact O-N 3.43Å; I718-E720 PolarHBondContact O-N 3.15Å; E720-F722 PolarHBondContact O-N 3.42Å; E720-Q723 PolarHBondContact O-N 2.82Å |
| 721 | A | 95 | Very high | 93 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.5 | -28.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | R717 I718 N719 | R717-A721 PolarHBondContact O-N 3.04Å; I718-A721 WeakPolarHBondContact O-CB 3.35Å; I718-A721 PolarHBondContact O-N 3.33Å; N719-A721 VanDerWaalsContact C-N 3.3Å; N719-A721 PolarHBondContact O-N 2.9Å |
| 722 | F | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -106.1 | -0.1 | -178.7 | -67.8 | -74.4 | 0 | 0 | 0 | 114 | M636 Y641 W643 L650 F651 I718 N719 E720 L724 | M636-F722 WeakPolarHBondContact CE-O 3.43Å; Y641-F722 WeakPolarHBondContact OH-CB 3.28Å; Y641-F722 PolarHBondContact OH-O 3.3Å; W643-F722 HydrophobicContact CH2-CD1 4.19Å; W643-F722 AromaticContact CH2-CE1 3.91Å; W643-F722 HydrophobicContact CH2-CE1 3.91Å; W643-F722 HydrophobicContact CH2-CZ 4.46Å; W643-F722 AromaticContact CZ3-CD1 3.82Å; W643-F722 HydrophobicContact CZ3-CD1 3.82Å; W643-F722 AromaticContact CZ3-CE1 3.92Å; W643-F722 HydrophobicContact CZ3-CE1 3.92Å; L650-F722 HydrophobicContact CB-CE1 4.33Å; L650-F722 HydrophobicContact CB-CZ 4.16Å; L650-F722 HydrophobicContact CD2-CE1 3.99Å; L650-F722 HydrophobicContact CD2-CZ 4.15Å; L650-F722 HydrophobicContact CG-CE1 4.13Å; L650-F722 HydrophobicContact CG-CZ 3.83Å; F651-F722 VanDerWaalsContact CA-CZ 3.45Å; F651-F722 HydrophobicContact CB-CE1 4.43Å; F651-F722 HydrophobicContact CB-CE2 4.3Å; F651-F722 HydrophobicContact CB-CZ 3.74Å; F651-F722 HydrophobicContact CD2-CE2 4.17Å; F651-F722 HydrophobicContact CD2-CZ 4.38Å; I718-F722 HydrophobicContact CG2-CD2 4.38Å; I718-F722 HydrophobicContact CG2-CE2 4.41Å; I718-F722 VanDerWaalsContact O-CD2 3.29Å; I718-F722 WeakPolarHBondContact O-CD2 3.47Å; N719-F722 PolarHBondContact O-N 3.23Å; N719-F722 VanDerWaalsContact O-N 3.15Å; E720-F722 PolarHBondContact O-N 3.42Å; F722-L724 HydrophobicContact CB-CB 4.41Å; F722-L724 HydrophobicContact CB-CD1 3.76Å; F722-L724 HydrophobicContact CB-CG 3.84Å; F722-L724 PolarHBondContact O-N 3.44Å |
| 723 | Q | 94.8 | Very high | 92.5 | Very high | 151 Ų | 151 | 54.8 Ų | 54.8 | 71% | 0.706 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 38.3 | -171.2 | -52.9 | 178.7 | 20.1 | 0 | 0 | 112.5 | M636 N719 E720 | M636-Q723 HydrophobicContact CE-CB 4.36Å; N719-Q723 PolarHBondContact O-N 2.76Å; E720-Q723 PolarHBondContact O-N 2.82Å |
| 724 | L | 94.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -113.3 | 170.3 | 179.7 | -61 | 177.1 | 0 | 0 | 0 | 110.7 | I630 L632 A635 M636 N719 F722 L729 | I630-L724 HydrophobicContact CG2-CD1 3.6Å; L632-L724 HydrophobicContact CD2-CD1 4.24Å; L632-L724 HydrophobicContact CD2-CD2 4.06Å; A635-L724 HydrophobicContact CB-CD2 3.46Å; A635-L724 VanDerWaalsContact CB-CD2 3.46Å; M636-L724 HydrophobicContact CE-CD2 3.49Å; M636-L724 VanDerWaalsContact CE-CD2 3.49Å; M636-L724 HydrophobicContact CE-CG 4.32Å; N719-L724 CarbonylContact C-O 3.54Å; N719-L724 VanDerWaalsContact CB-O 3.31Å; N719-L724 WeakPolarHBondContact CB-O 3.42Å; N719-L724 PolarHBondContact O-N 2.79Å; F722-L724 HydrophobicContact CB-CB 4.41Å; F722-L724 HydrophobicContact CB-CD1 3.76Å; F722-L724 HydrophobicContact CB-CG 3.84Å; F722-L724 PolarHBondContact O-N 3.44Å; L724-L729 HydrophobicContact CB-CB 3.89Å; L724-L729 HydrophobicContact CD1-CB 3.86Å; L724-L729 HydrophobicContact CD1-CD2 4.46Å | ||
| 725 | D | 91 | Very high | 91.5 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | trans | -124.4 | -179 | 173.9 | 66.3 | 19.3 | 0 | 0 | 0 | 111.1 | H727 T728 L729 | D725-H727 PolarHBondContact O-N 3.12Å; D725-H727 VanDerWaalsContact O-N 3.12Å; D725-H727 WeakPolarHBondContact OD1-CA 3.44Å; D725-H727 WeakPolarHBondContact OD1-CB 3.24Å; D725-H727 PolarHBondContact OD1-N 3.16Å; D725-T728 PolarHBondContact N-OG1 2.88Å; D725-T728 PolarHBondContact O-N 3.46Å; D725-T728 PolarHBondContact O-OG1 2.85Å; D725-T728 WeakPolarHBondContact OD1-CB 3.31Å; D725-T728 WeakPolarHBondContact OD1-CG2 3.47Å; D725-T728 PolarHBondContact OD1-N 3.14Å; D725-T728 PolarHBondContact OD1-OG1 2.82Å; D725-L729 PolarHBondContact O-N 3.18Å | ||
| 726 | D | 88.8 | Confident | 90.5 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.6 | -177.3 | -75.2 | -19 | 0 | 0 | 0 | 114.6 | R715 N719 P736 | R715-D726 VanDerWaalsContact CD-OD1 3.24Å; R715-D726 WeakPolarHBondContact CD-OD1 3.31Å; R715-D726 IonicContact CZ-OD1 3.54Å; R715-D726 IonicContact NE-OD1 2.76Å; R715-D726 PolarHBondContact NE-OD1 2.83Å; R715-D726 PolarHBondContact NH2-O 3.3Å; R715-D726 IonicContact NH2-OD1 3.86Å; N719-D726 PolarHBondContact ND2-OD1 2.94Å; D726-P736 HydrophobicContact CB-CB 3.89Å; D726-P736 HydrophobicContact CB-CG 3.97Å; D726-P736 WeakPolarHBondContact OD2-CB 3.44Å |
| 727 | H | 88.7 | Confident | 89.1 | Confident | 138 Ų | 138 | 58.3 Ų | 58.3 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -28.1 | 176.5 | -60.1 | -59.6 | 0 | 0 | 0 | 112.4 | D725 | D725-H727 PolarHBondContact O-N 3.12Å; D725-H727 VanDerWaalsContact O-N 3.12Å; D725-H727 WeakPolarHBondContact OD1-CA 3.44Å; D725-H727 WeakPolarHBondContact OD1-CB 3.24Å; D725-H727 PolarHBondContact OD1-N 3.16Å |
| 728 | T | 92.7 | Very high | 87.4 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -18.1 | -175.7 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | I630 S631 A634 A635 D725 | I630-T728 CarbonylContact C-O 3.57Å; I630-T728 WeakPolarHBondContact CA-O 3.45Å; S631-T728 PolarHBondContact N-O 3.11Å; A634-T728 HydrophobicContact CB-CG2 4.2Å; A635-T728 HydrophobicContact CB-CG2 3.88Å; D725-T728 PolarHBondContact N-OG1 2.88Å; D725-T728 PolarHBondContact O-N 3.46Å; D725-T728 PolarHBondContact O-OG1 2.85Å; D725-T728 WeakPolarHBondContact OD1-CB 3.31Å; D725-T728 WeakPolarHBondContact OD1-CG2 3.47Å; D725-T728 PolarHBondContact OD1-N 3.14Å; D725-T728 PolarHBondContact OD1-OG1 2.82Å |
| 729 | L | 94.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 94.4 | 163.4 | -178.8 | 55.5 | 0 | 0 | 0 | 110.1 | V628 I630 F651 R715 I718 L724 D725 F731 | V628-L729 HydrophobicContact CG1-CD1 3.86Å; I630-L729 HydrophobicContact CD1-CD1 3.96Å; I630-L729 HydrophobicContact CG1-CD1 3.69Å; F651-L729 HydrophobicContact CE2-CD1 4.49Å; R715-L729 PolarHBondContact NH2-O 3.35Å; I718-L729 HydrophobicContact CG2-CD2 3.76Å; L724-L729 HydrophobicContact CB-CB 3.89Å; L724-L729 HydrophobicContact CD1-CB 3.86Å; L724-L729 HydrophobicContact CD1-CD2 4.46Å; D725-L729 PolarHBondContact O-N 3.18Å; L729-F731 HydrophobicContact CD1-CE2 4.47Å; L729-F731 HydrophobicContact CD2-CE2 4.14Å; L729-F731 HydrophobicContact CD2-CZ 4.34Å; L729-F731 HydrophobicContact CG-CE2 3.91Å; L729-F731 HydrophobicContact CG-CZ 4.33Å |
| 730 | E | 93.7 | Very high | 83.3 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.2 | -178.4 | -59.3 | -176.3 | 166 | 0 | 0 | 111.4 | V628 R629 | V628-E730 CarbonylContact C-O 3.05Å; V628-E730 WeakPolarHBondContact CA-O 3.44Å; R629-E730 HydrophobicContact CB-CB 4.27Å; R629-E730 PolarHBondContact N-O 2.98Å; R629-E730 IonicContact NH1-OE2 2.67Å; R629-E730 PolarHBondContact O-N 3.37Å |
| 731 | F | 93.6 | Very high | 81.2 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.018 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 104.6 | 162.8 | -61.6 | -91 | 0 | 0 | 0 | 108.2 | T626 V628 F651 I655 M690 V711 I718 L729 G733 I734 | T626-F731 HydrophobicContact CG2-CB 4.33Å; T626-F731 HydrophobicContact CG2-CD1 4.48Å; V628-F731 HydrophobicContact CG1-CE1 4.5Å; V628-F731 HydrophobicContact CG2-CD1 3.89Å; V628-F731 HydrophobicContact CG2-CE1 4.04Å; F651-F731 HydrophobicContact CE2-CE1 4.2Å; F651-F731 HydrophobicContact CE2-CZ 4.15Å; F651-F731 AromaticContact CZ-CE1 3.98Å; F651-F731 HydrophobicContact CZ-CE1 3.98Å; F651-F731 HydrophobicContact CZ-CZ 4.38Å; I655-F731 HydrophobicContact CD1-CE1 4.02Å; I655-F731 HydrophobicContact CD1-CZ 4.16Å; M690-F731 HydrophobicContact CE-CD1 3.58Å; M690-F731 HydrophobicContact CE-CE1 3.58Å; M690-F731 HydrophobicContact SD-CE1 4.15Å; V711-F731 HydrophobicContact CG1-CD1 3.89Å; V711-F731 HydrophobicContact CG1-CD2 3.7Å; V711-F731 HydrophobicContact CG1-CE1 3.92Å; V711-F731 HydrophobicContact CG1-CE2 3.75Å; V711-F731 HydrophobicContact CG1-CG 3.78Å; V711-F731 HydrophobicContact CG1-CZ 3.86Å; V711-F731 HydrophobicContact CG2-CE1 4.39Å; I718-F731 HydrophobicContact CG2-CZ 4.3Å; L729-F731 HydrophobicContact CD1-CE2 4.47Å; L729-F731 HydrophobicContact CD2-CE2 4.14Å; L729-F731 HydrophobicContact CD2-CZ 4.34Å; L729-F731 HydrophobicContact CG-CE2 3.91Å; L729-F731 HydrophobicContact CG-CZ 4.33Å; F731-G733 PolarHBondContact O-N 2.9Å; F731-I734 HydrophobicContact CB-CB 3.86Å; F731-I734 HydrophobicContact CB-CD1 3.73Å; F731-I734 HydrophobicContact CB-CG1 3.93Å; F731-I734 HydrophobicContact CG-CD1 4.33Å; F731-I734 WeakPolarHBondContact O-CB 3.48Å; F731-I734 PolarHBondContact O-N 3.14Å |
| 732 | V | 90.2 | Very high | 79.3 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 122.7 | -172.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | K627 R629 | K627-V732 HydrophobicContact CB-CB 3.99Å; K627-V732 HydrophobicContact CB-CG2 3.91Å; K627-V732 HydrophobicContact CD-CG2 4.3Å; K627-V732 HydrophobicContact CG-CG2 4.06Å; K627-V732 PolarHBondContact O-N 2.82Å; R629-V732 HydrophobicContact CG-CG2 4.41Å |
| 733 | G | 84.7 | Confident | 77.3 | Confident | 58 Ų | 58 | 79 Ų | 79 | 60% | 0.598 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -12.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F731 | F731-G733 PolarHBondContact O-N 2.9Š|
| 734 | I | 85.3 | Confident | 75.6 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 3% | 0.031 | 45% | 0.451 | C | S | . | . | trans | -101 | 103.4 | 175.1 | -51.9 | -173.3 | 0 | 0 | 0 | 109.3 | T626 E708 V711 R712 R715 F731 | T626-I734 HydrophobicContact CG2-CD1 4.21Å; E708-I734 HydrophobicContact CB-CD1 4.04Å; E708-I734 HydrophobicContact CB-CG1 4.27Å; E708-I734 HydrophobicContact CG-CD1 3.83Å; E708-I734 HydrophobicContact CG-CG1 3.84Å; V711-I734 HydrophobicContact CB-CD1 3.94Å; V711-I734 HydrophobicContact CG1-CD1 3.84Å; R712-I734 HydrophobicContact CG-CG2 3.35Å; R715-I734 PolarHBondContact NH1-O 3.28Å; F731-I734 HydrophobicContact CB-CB 3.86Å; F731-I734 HydrophobicContact CB-CD1 3.73Å; F731-I734 HydrophobicContact CB-CG1 3.93Å; F731-I734 HydrophobicContact CG-CD1 4.33Å; F731-I734 WeakPolarHBondContact O-CB 3.48Å; F731-I734 PolarHBondContact O-N 3.14Å | ||
| 735 | V | 78.6 | Confident | 74.4 | Confident | 109 Ų | 109 | 83.8 Ų | 83.8 | 66% | 0.661 | 49% | 0.487 | S | S | * | . | trans | -63.5 | 139.4 | 177.5 | -173 | 0 | 0 | 0 | 0 | 110.4 | R715 T737 | R715-V735 PolarHBondContact NH1-O 3.11Å; V735-T737 PolarHBondContact O-N 3.04Å | ||
| 736 | P | 70.8 | Confident | 73.3 | Confident | 46 Ų | 46 | 83.9 Ų | 83.9 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | trans | -53.1 | 133.5 | 171.7 | -28.7 | 37.2 | 0 | 0 | 0 | 112.3 | D726 L738 | D726-P736 HydrophobicContact CB-CB 3.89Å; D726-P736 HydrophobicContact CB-CG 3.97Å; D726-P736 WeakPolarHBondContact OD2-CB 3.44Å; P736-L738 VanDerWaalsContact C-N 3.33Å; P736-L738 PolarHBondContact O-N 2.99Å; P736-L738 VanDerWaalsContact O-N 3.11Å | ||
| 737 | T | 62.6 | Low | 72.7 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | trans | -80 | 87 | 165.8 | 45.8 | 0 | 0 | 0 | 0 | 107.4 | V735 A739 | V735-T737 PolarHBondContact O-N 3.04Å; T737-A739 PolarHBondContact O-N 2.71Å | ||
| 738 | L | 57 | Low | 72.1 | Confident | 152 Ų | 152 | 85.1 Ų | 85.1 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -57 | 116.1 | 174.3 | -69.1 | 172.3 | 0 | 0 | 0 | 108.6 | P736 | P736-L738 VanDerWaalsContact C-N 3.33Å; P736-L738 PolarHBondContact O-N 2.99Å; P736-L738 VanDerWaalsContact O-N 3.11Å |
| 739 | A | 54.9 | Low | 71.4 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 135.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | T737 | T737-A739 PolarHBondContact O-N 2.71Š|
| 740 | P | 48.8 | Very low | 70.7 | Confident | 110 Ų | 110 | 95.5 Ų | 95.5 | 71% | 0.714 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 135.5 | 172.2 | 22.9 | -30.9 | 0 | 0 | 0 | 108.1 | V742 | P740-V742 PolarHBondContact O-N 2.86Š|
| 741 | P | 50.9 | Low | 70.1 | Confident | 120 Ų | 120 | 95.8 Ų | 95.8 | 78% | 0.779 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 129.7 | -177.7 | 19 | -30.4 | 0 | 0 | 0 | 109 | K743 | P741-K743 PolarHBondContact O-N 2.92Š|
| 742 | V | 54.1 | Low | 69.5 | Low | 133 Ų | 133 | 100.7 Ų | 100.7 | 81% | 0.806 | 58% | 0.577 | S | S | * | * | trans | -53.1 | 107.5 | 179.7 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | P740 Q744 | P740-V742 PolarHBondContact O-N 2.86Å; V742-Q744 PolarHBondContact O-N 3.18Å | ||
| 743 | K | 55.1 | Low | 69.3 | Low | 200 Ų | 200 | 103.4 Ų | 103.4 | 87% | 0.87 | 58% | 0.584 | S | S | * | * | trans | -61.3 | 107.4 | 169.8 | -86.9 | -175.1 | 176.8 | 178 | 0 | 106 | P741 | P741-K743 PolarHBondContact O-N 2.92Š| ||
| 744 | Q | 58.3 | Low | 69.4 | Low | 136 Ų | 136 | 102.6 Ų | 102.6 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | trans | -56 | 131.9 | 172.3 | -66.1 | -138 | -17.2 | 0 | 0 | 108 | V742 V746 | V742-Q744 PolarHBondContact O-N 3.18Å; Q744-V746 PolarHBondContact O-N 3.13Å | ||
| 745 | P | 67.9 | Low | 69.5 | Low | 132 Ų | 132 | 106.3 Ų | 106.3 | 86% | 0.857 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -61.2 | -15.7 | -173.3 | 22.5 | -32.5 | 0 | 0 | 0 | 112.6 | ||
| 746 | V | 69.1 | Low | 70 | Confident | 78 Ų | 78 | 105 Ų | 105 | 47% | 0.473 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -133.5 | 132.2 | 173.5 | -161.7 | 0 | 0 | 0 | 0 | 108.9 | Q744 V748 V751 | Q744-V746 PolarHBondContact O-N 3.13Å; V746-V748 PolarHBondContact O-N 2.96Å; V746-V748 VanDerWaalsContact O-N 3.13Å; V746-V751 HydrophobicContact CB-CG2 4.29Å; V746-V751 HydrophobicContact CG1-CG2 3.47Å; V746-V751 VanDerWaalsContact CG1-CG2 3.47Å |
| 747 | Q | 76.1 | Confident | 70.9 | Confident | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | trans | -67.4 | 112.7 | 170.3 | -65.2 | -179.1 | -17 | 0 | 0 | 108 | W749 L750 | Q747-W749 PolarHBondContact O-N 3.46Å; Q747-L750 HydrophobicContact CB-CD1 4.1Å; Q747-L750 HydrophobicContact CB-CG 4.32Å; Q747-L750 WeakPolarHBondContact O-CB 3.14Å; Q747-L750 PolarHBondContact O-N 3.34Å | ||
| 748 | V | 75.3 | Confident | 72.1 | Confident | 83 Ų | 83 | 104.7 Ų | 104.7 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -50.4 | -33.1 | -175.5 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | V746 L750 V751 L752 | V746-V748 PolarHBondContact O-N 2.96Å; V746-V748 VanDerWaalsContact O-N 3.13Å; V748-L750 PolarHBondContact O-N 3Å; V748-V751 PolarHBondContact O-N 2.81Å; V748-L752 HydrophobicContact CG1-CD1 4.13Å; V748-L752 PolarHBondContact O-N 3.05Å |
| 749 | W | 78 | Confident | 73.6 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.5 | -31.2 | 176.3 | 82.9 | -92.9 | 0 | 0 | 0 | 113.6 | Q747 F753 | Q747-W749 PolarHBondContact O-N 3.46Å; W749-F753 HydrophobicContact CE3-CB 4.24Å; W749-F753 HydrophobicContact CZ3-CB 4.38Å; W749-F753 HydrophobicContact CZ3-CG 4.46Å; W749-F753 WeakPolarHBondContact O-CB 3.39Å; W749-F753 PolarHBondContact O-N 3.25Å |
| 750 | L | 79.9 | Confident | 75.1 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 42% | 0.424 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.2 | -35.7 | 175.9 | -78.3 | 171 | 0 | 0 | 0 | 111.7 | Q747 V748 G754 | Q747-L750 HydrophobicContact CB-CD1 4.1Å; Q747-L750 HydrophobicContact CB-CG 4.32Å; Q747-L750 WeakPolarHBondContact O-CB 3.14Å; Q747-L750 PolarHBondContact O-N 3.34Å; V748-L750 PolarHBondContact O-N 3Å; L750-G754 PolarHBondContact O-N 3.48Å |
| 751 | V | 80.8 | Confident | 77 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.1 | -47.7 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | V746 V748 F753 G754 V755 | V746-V751 HydrophobicContact CB-CG2 4.29Å; V746-V751 HydrophobicContact CG1-CG2 3.47Å; V746-V751 VanDerWaalsContact CG1-CG2 3.47Å; V748-V751 PolarHBondContact O-N 2.81Å; V751-F753 VanDerWaalsContact C-N 3.34Å; V751-F753 PolarHBondContact O-N 2.79Å; V751-G754 PolarHBondContact O-N 3.34Å; V751-V755 WeakPolarHBondContact O-CG2 3.41Å; V751-V755 PolarHBondContact O-N 2.9Å |
| 752 | L | 81.4 | Confident | 78.7 | Confident | 107 Ų | 107 | 101.9 Ų | 101.9 | 56% | 0.56 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.7 | -44.1 | 175.1 | -82.4 | 164.4 | 0 | 0 | 0 | 111.8 | V748 V755 V756 | V748-L752 HydrophobicContact CG1-CD1 4.13Å; V748-L752 PolarHBondContact O-N 3.05Å; L752-V755 PolarHBondContact O-N 2.89Å; L752-V756 WeakPolarHBondContact O-CB 3.35Å; L752-V756 VanDerWaalsContact O-CG2 3.24Å; L752-V756 WeakPolarHBondContact O-CG2 3.24Å; L752-V756 PolarHBondContact O-N 2.89Å |
| 753 | F | 86.1 | Confident | 80.2 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 175.4 | 177.9 | -98.9 | 0 | 0 | 0 | 111.7 | W749 V751 V755 V756 M757 | W749-F753 HydrophobicContact CE3-CB 4.24Å; W749-F753 HydrophobicContact CZ3-CB 4.38Å; W749-F753 HydrophobicContact CZ3-CG 4.46Å; W749-F753 WeakPolarHBondContact O-CB 3.39Å; W749-F753 PolarHBondContact O-N 3.25Å; V751-F753 VanDerWaalsContact C-N 3.34Å; V751-F753 PolarHBondContact O-N 2.79Å; F753-V755 PolarHBondContact O-N 3.44Å; F753-V756 PolarHBondContact O-N 3.46Å; F753-M757 HydrophobicContact CD1-CG 4.28Å; F753-M757 HydrophobicContact CD2-CG 4.14Å; F753-M757 HydrophobicContact CE1-CG 3.86Å; F753-M757 HydrophobicContact CE2-CG 3.7Å; F753-M757 HydrophobicContact CE2-SD 4.33Å; F753-M757 HydrophobicContact CG-CG 4.41Å; F753-M757 HydrophobicContact CZ-CG 3.56Å; F753-M757 HydrophobicContact CZ-SD 4.32Å; F753-M757 VanDerWaalsContact O-CB 3.3Å; F753-M757 WeakPolarHBondContact O-CB 3.31Å; F753-M757 WeakPolarHBondContact O-CG 3.48Å; F753-M757 PolarHBondContact O-N 2.84Å |
| 754 | G | 85.9 | Confident | 81.5 | Confident | 42 Ų | 42 | 92.9 Ų | 92.9 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L750 V751 G758 | L750-G754 PolarHBondContact O-N 3.48Å; V751-G754 PolarHBondContact O-N 3.34Å; G754-G758 PolarHBondContact O-N 2.94Å |
| 755 | V | 88.6 | Confident | 82.7 | Confident | 83 Ų | 83 | 88.6 Ų | 88.6 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -46.4 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | V751 L752 F753 G758 L759 | V751-V755 WeakPolarHBondContact O-CG2 3.41Å; V751-V755 PolarHBondContact O-N 2.9Å; L752-V755 PolarHBondContact O-N 2.89Å; F753-V755 PolarHBondContact O-N 3.44Å; V755-G758 PolarHBondContact O-N 3.31Å; V755-L759 HydrophobicContact CG1-CD1 4.09Å; V755-L759 WeakPolarHBondContact O-CB 3.3Å; V755-L759 WeakPolarHBondContact O-CG 3.43Å; V755-L759 PolarHBondContact O-N 2.97Å |
| 756 | V | 88.9 | Confident | 83.4 | Confident | 82 Ų | 82 | 89.7 Ų | 89.7 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 179.2 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L752 F753 G758 L759 T760 | L752-V756 WeakPolarHBondContact O-CB 3.35Å; L752-V756 VanDerWaalsContact O-CG2 3.24Å; L752-V756 WeakPolarHBondContact O-CG2 3.24Å; L752-V756 PolarHBondContact O-N 2.89Å; F753-V756 PolarHBondContact O-N 3.46Å; V756-G758 VanDerWaalsContact C-N 3.35Å; V756-G758 PolarHBondContact O-N 3.41Å; V756-L759 PolarHBondContact O-N 3.4Å; V756-T760 WeakPolarHBondContact O-CB 3.41Å; V756-T760 PolarHBondContact O-N 2.89Å; V756-T760 PolarHBondContact O-OG1 3.23Å |
| 757 | M | 89.4 | Confident | 84 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.5 | -76.7 | -60.2 | -64.4 | 0 | 0 | 112.2 | F753 T760 V761 | F753-M757 HydrophobicContact CD1-CG 4.28Å; F753-M757 HydrophobicContact CD2-CG 4.14Å; F753-M757 HydrophobicContact CE1-CG 3.86Å; F753-M757 HydrophobicContact CE2-CG 3.7Å; F753-M757 HydrophobicContact CE2-SD 4.33Å; F753-M757 HydrophobicContact CG-CG 4.41Å; F753-M757 HydrophobicContact CZ-CG 3.56Å; F753-M757 HydrophobicContact CZ-SD 4.32Å; F753-M757 VanDerWaalsContact O-CB 3.3Å; F753-M757 WeakPolarHBondContact O-CB 3.31Å; F753-M757 WeakPolarHBondContact O-CG 3.48Å; F753-M757 PolarHBondContact O-N 2.84Å; M757-T760 PolarHBondContact O-N 2.6Å; M757-V761 VanDerWaalsContact O-CG2 3.31Å; M757-V761 WeakPolarHBondContact O-CG2 3.3Å; M757-V761 PolarHBondContact O-N 2.89Å |
| 758 | G | 88.4 | Confident | 84.2 | Confident | 32 Ų | 32 | 90.5 Ų | 90.5 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G754 V755 V756 T760 V761 L762 | G754-G758 PolarHBondContact O-N 2.94Å; V755-G758 PolarHBondContact O-N 3.31Å; V756-G758 VanDerWaalsContact C-N 3.35Å; V756-G758 PolarHBondContact O-N 3.41Å; G758-T760 VanDerWaalsContact C-N 3.34Å; G758-T760 PolarHBondContact O-N 2.94Å; G758-V761 PolarHBondContact O-N 3.45Å; G758-L762 WeakPolarHBondContact O-CB 3.48Å; G758-L762 VanDerWaalsContact O-CG 3.3Å; G758-L762 WeakPolarHBondContact O-CG 3.36Å; G758-L762 PolarHBondContact O-N 3.47Å |
| 759 | L | 88.1 | Confident | 84.3 | Confident | 110 Ų | 110 | 92 Ų | 92 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 174.8 | -76.1 | 169.6 | 0 | 0 | 0 | 111.9 | V755 V756 L762 L763 | V755-L759 HydrophobicContact CG1-CD1 4.09Å; V755-L759 WeakPolarHBondContact O-CB 3.3Å; V755-L759 WeakPolarHBondContact O-CG 3.43Å; V755-L759 PolarHBondContact O-N 2.97Å; V756-L759 PolarHBondContact O-N 3.4Å; L759-L762 PolarHBondContact O-N 2.83Å; L759-L763 WeakPolarHBondContact O-CB 3.42Å; L759-L763 PolarHBondContact O-N 3.49Å |
| 760 | T | 86.4 | Confident | 84.2 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | -179.3 | -41.7 | 0 | 0 | 0 | 0 | 111.5 | V756 M757 G758 L763 G764 | V756-T760 WeakPolarHBondContact O-CB 3.41Å; V756-T760 PolarHBondContact O-N 2.89Å; V756-T760 PolarHBondContact O-OG1 3.23Å; M757-T760 PolarHBondContact O-N 2.6Å; G758-T760 VanDerWaalsContact C-N 3.34Å; G758-T760 PolarHBondContact O-N 2.94Å; T760-L763 PolarHBondContact O-N 3.32Å; T760-G764 PolarHBondContact O-N 2.88Å |
| 761 | V | 87.9 | Confident | 83.9 | Confident | 95 Ų | 95 | 84.9 Ų | 84.9 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.2 | -42 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | M757 G758 L763 G764 A765 | M757-V761 VanDerWaalsContact O-CG2 3.31Å; M757-V761 WeakPolarHBondContact O-CG2 3.3Å; M757-V761 PolarHBondContact O-N 2.89Å; G758-V761 PolarHBondContact O-N 3.45Å; V761-L763 VanDerWaalsContact C-N 3.35Å; V761-G764 PolarHBondContact O-N 3.37Å; V761-A765 WeakPolarHBondContact O-CB 3.36Å; V761-A765 PolarHBondContact O-N 3.35Å |
| 762 | L | 86.3 | Confident | 83.4 | Confident | 122 Ų | 122 | 85 Ų | 85 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 175.6 | -74.8 | 170.8 | 0 | 0 | 0 | 111.9 | G758 L759 A765 Y766 | G758-L762 WeakPolarHBondContact O-CB 3.48Å; G758-L762 VanDerWaalsContact O-CG 3.3Å; G758-L762 WeakPolarHBondContact O-CG 3.36Å; G758-L762 PolarHBondContact O-N 3.47Å; L759-L762 PolarHBondContact O-N 2.83Å; L762-A765 PolarHBondContact O-N 2.97Å; L762-Y766 VanDerWaalsContact O-CB 3.28Å; L762-Y766 WeakPolarHBondContact O-CB 3.28Å; L762-Y766 PolarHBondContact O-N 3.3Å |
| 763 | L | 85.6 | Confident | 82.7 | Confident | 113 Ų | 113 | 87.3 Ų | 87.3 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 175.3 | -145.5 | 88.9 | 0 | 0 | 0 | 111.1 | L759 T760 V761 Y766 L767 | L759-L763 WeakPolarHBondContact O-CB 3.42Å; L759-L763 PolarHBondContact O-N 3.49Å; T760-L763 PolarHBondContact O-N 3.32Å; V761-L763 VanDerWaalsContact C-N 3.35Å; L763-Y766 PolarHBondContact O-N 3.5Å; L763-L767 WeakPolarHBondContact O-CB 3.21Å; L763-L767 VanDerWaalsContact O-CG 3.28Å; L763-L767 WeakPolarHBondContact O-CG 3.36Å; L763-L767 PolarHBondContact O-N 2.89Å |
| 764 | G | 84 | Confident | 81.6 | Confident | 32 Ų | 32 | 88 Ų | 88 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T760 V761 Y766 L767 V768 | T760-G764 PolarHBondContact O-N 2.88Å; V761-G764 PolarHBondContact O-N 3.37Å; G764-Y766 PolarHBondContact O-N 3.43Å; G764-L767 PolarHBondContact O-N 2.87Å; G764-V768 WeakPolarHBondContact O-CG2 3.47Å; G764-V768 PolarHBondContact O-N 2.88Å |
| 765 | A | 82.3 | Confident | 80.4 | Confident | 45 Ų | 45 | 96.3 Ų | 96.3 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V761 L762 V768 I769 | V761-A765 WeakPolarHBondContact O-CB 3.36Å; V761-A765 PolarHBondContact O-N 3.35Å; L762-A765 PolarHBondContact O-N 2.97Å; A765-V768 PolarHBondContact O-N 3.39Å; A765-I769 WeakPolarHBondContact O-CB 3.11Å; A765-I769 WeakPolarHBondContact O-CG1 3.35Å; A765-I769 PolarHBondContact O-N 2.89Å |
| 766 | Y | 82.5 | Confident | 79 | Confident | 155 Ų | 155 | 100.3 Ų | 100.3 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60 | -44.8 | 174.4 | 175.6 | -98.4 | 0 | 0 | 0 | 111.9 | L762 L763 G764 I769 S770 | L762-Y766 VanDerWaalsContact O-CB 3.28Å; L762-Y766 WeakPolarHBondContact O-CB 3.28Å; L762-Y766 PolarHBondContact O-N 3.3Å; L763-Y766 PolarHBondContact O-N 3.5Å; G764-Y766 PolarHBondContact O-N 3.43Å; Y766-I769 PolarHBondContact O-N 2.79Å; Y766-S770 WeakPolarHBondContact O-CB 3.34Å; Y766-S770 PolarHBondContact O-N 3.45Å |
| 767 | L | 82 | Confident | 77.4 | Confident | 111 Ų | 111 | 105.1 Ų | 105.1 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 178 | -72.8 | 170.9 | 0 | 0 | 0 | 112.3 | L763 G764 G771 | L763-L767 WeakPolarHBondContact O-CB 3.21Å; L763-L767 VanDerWaalsContact O-CG 3.28Å; L763-L767 WeakPolarHBondContact O-CG 3.36Å; L763-L767 PolarHBondContact O-N 2.89Å; G764-L767 PolarHBondContact O-N 2.87Å; L767-G771 PolarHBondContact O-N 2.96Å |
| 768 | V | 80 | Confident | 75.6 | Confident | 99 Ų | 99 | 109.9 Ų | 109.9 | 60% | 0.6 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.4 | -47 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111 | G764 A765 G771 V772 | G764-V768 WeakPolarHBondContact O-CG2 3.47Å; G764-V768 PolarHBondContact O-N 2.88Å; A765-V768 PolarHBondContact O-N 3.39Å; V768-G771 PolarHBondContact O-N 3.39Å; V768-V772 VanDerWaalsContact O-CG2 3.3Å; V768-V772 WeakPolarHBondContact O-CG2 3.3Å; V768-V772 PolarHBondContact O-N 2.85Å |
| 769 | I | 78.3 | Confident | 73.6 | Confident | 114 Ų | 114 | 113.3 Ų | 113.3 | 59% | 0.585 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.1 | -43 | 178.9 | -67.7 | 167.6 | 0 | 0 | 0 | 110.6 | A765 Y766 V772 K773 | A765-I769 WeakPolarHBondContact O-CB 3.11Å; A765-I769 WeakPolarHBondContact O-CG1 3.35Å; A765-I769 PolarHBondContact O-N 2.89Å; Y766-I769 PolarHBondContact O-N 2.79Å; I769-V772 PolarHBondContact O-N 2.93Å; I769-K773 WeakPolarHBondContact O-CB 3.28Å; I769-K773 PolarHBondContact O-N 3.38Å |
| 770 | S | 75.1 | Confident | 71.7 | Confident | 46 Ų | 46 | 112.9 Ų | 112.9 | 32% | 0.322 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.1 | -46 | 176.2 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | Y766 V772 K773 E774 | Y766-S770 WeakPolarHBondContact O-CB 3.34Å; Y766-S770 PolarHBondContact O-N 3.45Å; S770-V772 PolarHBondContact O-N 3.04Å; S770-K773 WeakPolarHBondContact O-CB 3.42Å; S770-K773 PolarHBondContact O-N 3.01Å; S770-K773 VanDerWaalsContact O-N 3.13Å; S770-E774 WeakPolarHBondContact O-CB 3.47Å; S770-E774 PolarHBondContact O-N 3.48Å |
| 771 | G | 72.9 | Confident | 69.3 | Low | 34 Ų | 34 | 118.6 Ų | 118.6 | 35% | 0.351 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.1 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L767 V768 R775 | L767-G771 PolarHBondContact O-N 2.96Å; V768-G771 PolarHBondContact O-N 3.39Å; G771-R775 PolarHBondContact O-N 3.41Å |
| 772 | V | 70.4 | Confident | 67.1 | Low | 81 Ų | 81 | 119.9 Ų | 119.9 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.9 | -38.1 | 173.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | V768 I769 S770 E774 R775 K776 | V768-V772 VanDerWaalsContact O-CG2 3.3Å; V768-V772 WeakPolarHBondContact O-CG2 3.3Å; V768-V772 PolarHBondContact O-N 2.85Å; I769-V772 PolarHBondContact O-N 2.93Å; S770-V772 PolarHBondContact O-N 3.04Å; V772-E774 VanDerWaalsContact C-N 3.35Å; V772-R775 PolarHBondContact O-N 2.87Å; V772-K776 PolarHBondContact O-N 3.13Å |
| 773 | K | 66.4 | Low | 65.3 | Low | 155 Ų | 155 | 119.9 Ų | 119.9 | 67% | 0.674 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68 | -35.7 | 178.1 | -148.8 | 175.7 | -173.8 | 179.5 | 0 | 111.6 | I769 S770 K776 K777 | I769-K773 WeakPolarHBondContact O-CB 3.28Å; I769-K773 PolarHBondContact O-N 3.38Å; S770-K773 WeakPolarHBondContact O-CB 3.42Å; S770-K773 PolarHBondContact O-N 3.01Å; S770-K773 VanDerWaalsContact O-N 3.13Å; K773-K776 PolarHBondContact O-N 3.11Å; K773-K777 PolarHBondContact O-N 3.46Å; K773-K777 VanDerWaalsContact O-N 3.11Å |
| 774 | E | 64.9 | Low | 63 | Low | 128 Ų | 128 | 123.8 Ų | 123.8 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.3 | -36.6 | 177.3 | -156.2 | 163.4 | -158.1 | 0 | 0 | 112.3 | S770 V772 K777 K778 | S770-E774 WeakPolarHBondContact O-CB 3.47Å; S770-E774 PolarHBondContact O-N 3.48Å; V772-E774 VanDerWaalsContact C-N 3.35Å; E774-K777 PolarHBondContact O-N 3.2Å; E774-K778 PolarHBondContact O-N 3.46Å |
| 775 | R | 59.9 | Low | 60.6 | Low | 217 Ų | 217 | 131.5 Ų | 131.5 | 82% | 0.819 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.3 | -39 | 168.6 | -107.6 | -178.6 | 173 | 179.4 | -1.5 | 112.9 | G771 V772 K777 K778 | G771-R775 PolarHBondContact O-N 3.41Å; V772-R775 PolarHBondContact O-N 2.87Å; R775-K777 VanDerWaalsContact C-N 3.3Å; R775-K777 PolarHBondContact O-N 3.47Å; R775-K778 PolarHBondContact O-N 3.26Å |
| 776 | K | 58.2 | Low | 58.5 | Low | 168 Ų | 168 | 136 Ų | 136 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68 | -26.5 | 173.2 | -87.3 | -174.9 | 172.5 | -179.2 | 0 | 113.2 | V772 K773 | V772-K776 PolarHBondContact O-N 3.13Å; K773-K776 PolarHBondContact O-N 3.11Å |
| 777 | K | 55.2 | Low | 56.5 | Low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.8 | -18.4 | 178.8 | -137.6 | 177.6 | -176.9 | -175.6 | 0 | 113.8 | K773 E774 R775 | K773-K777 PolarHBondContact O-N 3.46Å; K773-K777 VanDerWaalsContact O-N 3.11Å; E774-K777 PolarHBondContact O-N 3.2Å; R775-K777 VanDerWaalsContact C-N 3.3Å; R775-K777 PolarHBondContact O-N 3.47Å |
| 778 | K | 51.9 | Low | 54.4 | Low | 186 Ų | 186 | 137.4 Ų | 137.4 | 81% | 0.809 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -0.9 | 176.4 | -90.3 | -178.1 | 174.9 | 177.6 | 0 | 114.9 | E774 R775 | E774-K778 PolarHBondContact O-N 3.46Å; R775-K778 PolarHBondContact O-N 3.26Å |
| 779 | S | 46.8 | Very low | 52.3 | Low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -90.7 | 11.2 | -177.9 | 176.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 780 | S | 48.1 | Very low | 50.4 | Low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -138.9 | 52.5 | -177.4 | 74.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 781 | K | 35.9 | Very low | 48.5 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | -135.5 | 139.7 | 160 | -83.5 | -171 | 174.5 | -176.1 | 0 | 111.2 | ||||
| 782 | P | 41.3 | Very low | 46.9 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | -82.4 | 175.1 | -173.4 | -3.5 | 24.9 | 0 | 0 | 0 | 113.3 | ||||
| 783 | P | 48.3 | Very low | 45.1 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -90.9 | 156.9 | -156.6 | 37.4 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 784 | E | 38 | Very low | 43.6 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | -146.4 | 155.2 | 158.7 | -107.5 | 176.6 | -171.9 | 0 | 0 | 110.2 | ||||
| 785 | E | 33.1 | Very low | 42.2 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -77.2 | 163.3 | -146.1 | -71.4 | 172.1 | 133.9 | 0 | 0 | 119.3 | ||||
| 786 | N | 39.9 | Very low | 41.1 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -73.7 | 150.9 | 172.3 | -167.4 | 7.8 | 0 | 0 | 0 | 111.9 | ||||
| 787 | P | 39.3 | Very low | 40 | Very low | 91 Ų | 91 | 142 Ų | 142 | 59% | 0.591 | 77% | 0.773 | S | S | * | * | -151.3 | 163 | 105 | 30.4 | -8.8 | 0 | 0 | 0 | 115.9 | |||||
| 788 | Y | 39.2 | Very low | 39.2 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 96.9 | 63.2 | 166.7 | -52.2 | -70.5 | 0 | 0 | 0 | 118.2 | ||||
| 789 | S | 35.4 | Very low | 38.3 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | 34.7 | 141 | 103.5 | 80.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 790 | I | 37.5 | Very low | 37.7 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | 84.5 | 139.6 | 151.7 | -53 | 169.6 | 0 | 0 | 0 | 114.6 | ||||
| 791 | D | 35.2 | Very low | 37.1 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | cis | 174.1 | 167 | -17.2 | -163.3 | 4.8 | 0 | 0 | 0 | 104.8 | ||||
| 792 | V | 38.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 81.3 | 117.9 | 153 | -167.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 793 | D | 34.5 | Very low | 37 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | 47.1 | 145.8 | 137 | -55.1 | -23.8 | 0 | 0 | 0 | 125.1 | ||||
| 794 | G | 33.6 | Very low | 36.4 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 164.4 | 99.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 795 | I | 36.3 | Very low | 36.5 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -68.2 | 152.2 | -176.6 | -69.2 | 161.7 | 0 | 0 | 0 | 117.5 | ||||
| 796 | S | 36.7 | Very low | 36.8 | Very low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | trans | 49.2 | 141.3 | 147 | 85.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 797 | N | 34.7 | Very low | 36.7 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | -176.1 | 155.4 | 92.3 | -105.3 | -33.9 | 0 | 0 | 0 | 114.1 | |||||
| 798 | A | 38.2 | Very low | 36.7 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | -99.9 | 161.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 799 | A | 33 | Very low | 36.7 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 166.9 | 122.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 800 | F | 35.4 | Very low | 36.7 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | 64.8 | 134.4 | 91.6 | -93.4 | -94.3 | 0 | 0 | 0 | 112 | |||||
| 801 | E | 34.7 | Very low | 36.7 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | cis | -173.5 | 174.8 | 26.5 | -156.7 | 161.5 | -139.6 | 0 | 0 | 110 | ||||
| 802 | D | 37.3 | Very low | 36.8 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -40.5 | 153.8 | 178.3 | -75 | -46.9 | 0 | 0 | 0 | 120.8 | ||||
| 803 | N | 38.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 177.6 | 122.5 | 105.4 | -99.7 | -48 | 0 | 0 | 0 | 115 | |||||
| 804 | K | 36 | Very low | 36.8 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 74% | 0.735 | 79% | 0.788 | S | S | * | * | 25.2 | 132.4 | 125 | -75.5 | -175.2 | 172.4 | -175.2 | 0 | 123.8 | |||||
| 805 | D | 39.8 | Very low | 37 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | 77.8 | 133.9 | 122.8 | -63.5 | -25.3 | 0 | 0 | 0 | 122.7 | |||||
| 806 | E | 38.1 | Very low | 37 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | 67.6 | 148 | 142.9 | -74.4 | -178.4 | 164.8 | 0 | 0 | 118.2 | ||||
| 807 | Q | 37.7 | Very low | 37.1 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | cis | -162.7 | 166.4 | 20 | -137.5 | 172.6 | 14.9 | 0 | 0 | 110.6 | ||||
| 808 | T | 40.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -43.5 | 156 | 169.6 | 51.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 809 | G | 39.1 | Very low | 37.2 | Very low | 71 Ų | 71 | 147.8 Ų | 147.8 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | 122 | 95.2 | 126.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 810 | L | 35.3 | Very low | 37.5 | Very low | 249 Ų | 249 | 153.3 Ų | 153.3 | 100% | 1.304 | 80% | 0.797 | S | S | * | * | 175.3 | 0 | 111.6 | -101.3 | 159.8 | 0 | 0 | 0 | 110.5 |
Retrieved 810 of 810 residues in 2518.9 ms
(Link to these results)