| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.5 | Very low | 44.9 | Very low | 229 Ų | 229 | 125.5 Ų | 125.5 | 100% | 1.128 | 71% | 0.712 | S | S | * | * | 0 | 101.6 | 0 | -79 | 163.4 | 96 | 0 | 0 | 107.5 | |||||
| 2 | N | 32.9 | Very low | 47.4 | Very low | 179 Ų | 179 | 119.9 Ų | 119.9 | 96% | 0.957 | 69% | 0.687 | S | S | * | * | trans | -97.1 | 85.3 | 173.9 | -78.1 | -4.2 | 0 | 0 | 0 | 108 | ||||
| 3 | S | 30.6 | Very low | 49.6 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | trans | -166.2 | 78.2 | 171.5 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | A | 37 | Very low | 52.2 | Low | 85 Ų | 85 | 113 Ų | 113 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | trans | 173.5 | 91 | 141.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | S6 | A4-S6 PolarHBondContact O-N 3.08Š| ||
| 5 | D | 39 | Very low | 54.4 | Low | 180 Ų | 180 | 113.1 Ų | 113.1 | 96% | 0.963 | 64% | 0.635 | S | S | * | * | trans | -63.6 | 78.3 | 144.2 | -87.3 | -32.9 | 0 | 0 | 0 | 105.7 | S7 | D5-S7 PolarHBondContact O-N 3.36Š| ||
| 6 | S | 42.8 | Very low | 56.4 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | trans | -60 | 118.4 | 167.7 | 51.8 | 0 | 0 | 0 | 0 | 105.9 | A4 E8 | A4-S6 PolarHBondContact O-N 3.08Å; S6-E8 PolarHBondContact O-N 2.96Å | ||
| 7 | S | 45.3 | Very low | 58.2 | Low | 94 Ų | 94 | 108.7 Ų | 108.7 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | trans | -3.4 | 111.7 | 162.8 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | D5 L9 | D5-S7 PolarHBondContact O-N 3.36Å; S7-L9 PolarHBondContact O-N 3.22Å | ||
| 8 | E | 48.2 | Very low | 59.9 | Low | 175 Ų | 175 | 103 Ų | 103 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | trans | -46.3 | 109.4 | 166.2 | -76 | -175.1 | 148.3 | 0 | 0 | 107.2 | S6 D10 | S6-E8 PolarHBondContact O-N 2.96Å; E8-D10 PolarHBondContact O-N 2.93Å; E8-D10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | L | 53.5 | Low | 61.4 | Low | 89 Ų | 89 | 102.4 Ų | 102.4 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | trans | -56.8 | 119.3 | 176 | -85.8 | 148.7 | 0 | 0 | 0 | 105.7 | S7 Y11 | S7-L9 PolarHBondContact O-N 3.22Å; L9-Y11 HydrophobicContact CB-CE1 4.25Å; L9-Y11 HydrophobicContact CB-CE2 4.28Å; L9-Y11 WeakPolarHBondContact O-CD2 3.43Å; L9-Y11 WeakPolarHBondContact O-CE2 3.27Å; L9-Y11 PolarHBondContact O-N 3.3Å | ||
| 10 | D | 60.2 | Low | 62.8 | Low | 121 Ų | 121 | 101.4 Ų | 101.4 | 65% | 0.647 | 58% | 0.576 | S | S | * | * | trans | -63.5 | 103.9 | 171.4 | -179.4 | 21.8 | 0 | 0 | 0 | 107.3 | E8 S12 | E8-D10 PolarHBondContact O-N 2.93Å; E8-D10 VanDerWaalsContact O-N 3.09Å; D10-S12 PolarHBondContact O-N 2.99Å; D10-S12 WeakPolarHBondContact OD1-CB 2.84Å; D10-S12 PolarHBondContact OD1-N 3.33Å; D10-S12 WeakPolarHBondContact OD2-CB 3.44Å; D10-S12 PolarHBondContact OD2-OG 3.3Å | ||
| 11 | Y | 70.5 | Confident | 64.1 | Low | 34 Ų | 34 | 97 Ų | 97 | 13% | 0.133 | 55% | 0.551 | C | S | . | * | trans | -79.8 | 33.2 | 176 | -63.3 | -74.8 | 0 | 0 | 0 | 111.4 | L9 Y54 S90 L93 | L9-Y11 HydrophobicContact CB-CE1 4.25Å; L9-Y11 HydrophobicContact CB-CE2 4.28Å; L9-Y11 WeakPolarHBondContact O-CD2 3.43Å; L9-Y11 WeakPolarHBondContact O-CE2 3.27Å; L9-Y11 PolarHBondContact O-N 3.3Å; Y11-Y54 VanDerWaalsContact CB-CZ 3.48Å; Y11-Y54 HydrophobicContact CD1-CD1 4.03Å; Y11-Y54 AromaticContact CD1-CD2 3.56Å; Y11-Y54 HydrophobicContact CD1-CD2 3.56Å; Y11-Y54 HydrophobicContact CD1-CE2 4.17Å; Y11-Y54 AromaticContact CD1-CG 3.48Å; Y11-Y54 HydrophobicContact CD1-CG 3.48Å; Y11-Y54 VanDerWaalsContact CD1-CG 3.48Å; Y11-Y54 HydrophobicContact CD2-CD2 4.47Å; Y11-Y54 HydrophobicContact CE1-CD2 4.23Å; Y11-Y54 HydrophobicContact CE1-CG 4.2Å; Y11-Y54 HydrophobicContact CG-CD1 4.45Å; Y11-Y54 AromaticContact CG-CD2 3.72Å; Y11-Y54 HydrophobicContact CG-CD2 3.72Å; Y11-Y54 AromaticContact CG-CE2 3.86Å; Y11-Y54 HydrophobicContact CG-CE2 3.86Å; Y11-Y54 HydrophobicContact CG-CG 4.04Å; Y11-Y54 WeakPolarHBondContact O-CE1 3.34Å; Y11-Y54 PolarHBondContact O-OH 2.77Å; Y11-S90 PolarHBondContact OH-OG 3.16Å; Y11-S90 VanDerWaalsContact OH-OG 3.11Å; Y11-L93 HydrophobicContact CE1-CD1 4.28Å | ||
| 12 | S | 74.9 | Confident | 66.9 | Low | 58 Ų | 58 | 86.2 Ų | 86.2 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | trans | -62.8 | 134.6 | 168.2 | 56.4 | 0 | 0 | 0 | 0 | 109.5 | D10 D14 | D10-S12 PolarHBondContact O-N 2.99Å; D10-S12 WeakPolarHBondContact OD1-CB 2.84Å; D10-S12 PolarHBondContact OD1-N 3.33Å; D10-S12 WeakPolarHBondContact OD2-CB 3.44Å; D10-S12 PolarHBondContact OD2-OG 3.3Å; S12-D14 PolarHBondContact O-N 2.76Å | ||
| 13 | I | 76.5 | Confident | 69.7 | Low | 71 Ų | 71 | 84 Ų | 84 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | trans | -74.9 | 113.1 | -177.6 | -64.4 | 171.9 | 0 | 0 | 0 | 108.1 | L18 Y54 Y55 H58 | I13-L18 HydrophobicContact CG2-CB 4.35Å; I13-L18 HydrophobicContact CG2-CD2 3.73Å; I13-Y54 HydrophobicContact CG1-CE1 4.5Å; I13-Y55 HydrophobicContact CB-CE1 4.42Å; I13-Y55 HydrophobicContact CG1-CE1 4.41Å; I13-Y55 HydrophobicContact CG2-CE1 4.18Å; I13-H58 VanDerWaalsContact CD1-CE1 3.49Å; I13-H58 WeakPolarHBondContact CD1-CE1 3.42Å; I13-H58 VanDerWaalsContact CD1-NE2 3.29Å; I13-H58 WeakPolarHBondContact CD1-NE2 3.22Å | ||
| 14 | D | 85.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | trans | -84.7 | 116.3 | 167.4 | -172.8 | -37.5 | 0 | 0 | 0 | 108.7 | S12 A16 E17 L18 Y55 | S12-D14 PolarHBondContact O-N 2.76Å; D14-A16 PolarHBondContact O-N 2.93Å; D14-A16 WeakPolarHBondContact OD1-CB 3.4Å; D14-A16 PolarHBondContact OD1-N 3.48Å; D14-E17 HydrophobicContact CB-CB 4.15Å; D14-E17 HydrophobicContact CB-CG 4.04Å; D14-E17 PolarHBondContact O-N 3.46Å; D14-L18 WeakPolarHBondContact O-CB 3.45Å; D14-L18 PolarHBondContact O-N 3.17Å; D14-Y55 PolarHBondContact N-OH 3.42Å | ||
| 15 | E | 85.8 | Confident | 75.1 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 54% | 0.537 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.5 | -34.7 | -178.2 | -168.9 | 60.7 | -148.2 | 0 | 0 | 112.2 | Q19 | E15-Q19 WeakPolarHBondContact O-CB 3.24Å; E15-Q19 WeakPolarHBondContact O-CG 3.34Å; E15-Q19 PolarHBondContact O-N 2.95Å; E15-Q19 PolarHBondContact OE1-NE2 2.9Å |
| 16 | A | 85.8 | Confident | 77.5 | Confident | 71 Ų | 71 | 73 Ų | 73 | 59% | 0.587 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.9 | -41.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | D14 S20 | D14-A16 PolarHBondContact O-N 2.93Å; D14-A16 WeakPolarHBondContact OD1-CB 3.4Å; D14-A16 PolarHBondContact OD1-N 3.48Å; A16-S20 PolarHBondContact O-N 3.4Å; A16-S20 VanDerWaalsContact O-N 3.13Å |
| 17 | E | 87 | Confident | 79.7 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 175.2 | -67.1 | 179.9 | 171.7 | 0 | 0 | 111.2 | D14 S20 L21 K51 Y55 | D14-E17 HydrophobicContact CB-CB 4.15Å; D14-E17 HydrophobicContact CB-CG 4.04Å; D14-E17 PolarHBondContact O-N 3.46Å; E17-S20 WeakPolarHBondContact O-CB 3.36Å; E17-S20 PolarHBondContact O-N 2.83Å; E17-L21 PolarHBondContact O-N 2.92Å; E17-K51 IonicContact OE1-NZ 3.83Å; E17-K51 PolarHBondContact OE1-NZ 3.43Å; E17-K51 WeakPolarHBondContact OE2-CD 3.42Å; E17-K51 WeakPolarHBondContact OE2-CE 3.5Å; E17-K51 IonicContact OE2-NZ 2.8Å; E17-K51 PolarHBondContact OE2-NZ 2.95Å; E17-Y55 HydrophobicContact CB-CE2 4.06Å; E17-Y55 WeakPolarHBondContact OE2-CE2 3.36Å; E17-Y55 PolarHBondContact OE2-OH 3.43Å |
| 18 | L | 88 | Confident | 81.6 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 178 | -175.1 | 62.5 | 0 | 0 | 0 | 111.8 | I13 D14 S20 L21 L22 Y55 V59 M63 | I13-L18 HydrophobicContact CG2-CB 4.35Å; I13-L18 HydrophobicContact CG2-CD2 3.73Å; D14-L18 WeakPolarHBondContact O-CB 3.45Å; D14-L18 PolarHBondContact O-N 3.17Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.24Å; L18-L21 WeakPolarHBondContact O-CB 3.4Å; L18-L21 PolarHBondContact O-N 3.01Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.32Å; L18-Y55 HydrophobicContact CD1-CD1 4.13Å; L18-V59 HydrophobicContact CD1-CG2 3.81Å; L18-M63 HydrophobicContact CD1-SD 3.78Å; L18-M63 HydrophobicContact CD2-CE 3.81Å; L18-M63 HydrophobicContact CD2-SD 3.85Å; L18-M63 HydrophobicContact CG-CE 4.35Å; L18-M63 HydrophobicContact CG-SD 4.18Å |
| 19 | Q | 89.1 | Confident | 83.3 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 175.6 | -69.5 | -63.2 | -28.1 | 0 | 0 | 112.1 | E15 L22 K23 | E15-Q19 WeakPolarHBondContact O-CB 3.24Å; E15-Q19 WeakPolarHBondContact O-CG 3.34Å; E15-Q19 PolarHBondContact O-N 2.95Å; E15-Q19 PolarHBondContact OE1-NE2 2.9Å; Q19-L22 PolarHBondContact O-N 3.02Å; Q19-K23 WeakPolarHBondContact O-CB 3.4Å; Q19-K23 PolarHBondContact O-N 2.97Å |
| 20 | S | 89.4 | Confident | 84.7 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 173.6 | -170 | 0 | 0 | 0 | 0 | 111.8 | A16 E17 L18 K23 L24 | A16-S20 PolarHBondContact O-N 3.4Å; A16-S20 VanDerWaalsContact O-N 3.13Å; E17-S20 WeakPolarHBondContact O-CB 3.36Å; E17-S20 PolarHBondContact O-N 2.83Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.24Å; S20-K23 WeakPolarHBondContact O-CB 3.24Å; S20-K23 PolarHBondContact O-N 3.16Å; S20-L24 PolarHBondContact O-N 3.48Å |
| 21 | L | 91.2 | Very high | 85.7 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.6 | 173.7 | 64.8 | 0 | 0 | 0 | 112.1 | E17 L18 K23 L24 L25 F52 Y55 L56 V59 | E17-L21 PolarHBondContact O-N 2.92Å; L18-L21 WeakPolarHBondContact O-CB 3.4Å; L18-L21 PolarHBondContact O-N 3.01Å; L21-K23 PolarHBondContact O-N 3.48Å; L21-L24 HydrophobicContact CD1-CD2 4.39Å; L21-L24 WeakPolarHBondContact O-CB 3.42Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-L24 VanDerWaalsContact O-N 3.08Å; L21-L25 HydrophobicContact CD1-CD1 4.23Å; L21-L25 HydrophobicContact CD1-CG 4.08Å; L21-L25 HydrophobicContact CG-CD1 4.05Å; L21-L25 HydrophobicContact CG-CG 4.33Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.16Å; L21-F52 HydrophobicContact CD1-CD2 4.11Å; L21-F52 HydrophobicContact CD1-CE2 3.47Å; L21-F52 VanDerWaalsContact CD1-CE2 3.47Å; L21-F52 HydrophobicContact CD1-CZ 4.32Å; L21-Y55 VanDerWaalsContact CD2-CB 3.4Å; L21-Y55 HydrophobicContact CD2-CG 4.43Å; L21-L56 HydrophobicContact CD1-CD2 3.85Å; L21-L56 HydrophobicContact CD2-CD2 4.42Å; L21-V59 HydrophobicContact CD2-CG2 3.82Å |
| 22 | L | 91.5 | Very high | 86.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -36.5 | 178.4 | -71.1 | 176.8 | 0 | 0 | 0 | 111.5 | L18 Q19 R26 V59 M63 I66 | L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.32Å; Q19-L22 PolarHBondContact O-N 3.02Å; L22-R26 VanDerWaalsContact O-CG 3.29Å; L22-R26 WeakPolarHBondContact O-CG 3.34Å; L22-R26 PolarHBondContact O-N 3.39Å; L22-V59 HydrophobicContact CD2-CG1 4.07Å; L22-V59 HydrophobicContact CD2-CG2 4.16Å; L22-M63 HydrophobicContact CD1-CE 4Å; L22-I66 HydrophobicContact CD1-CD1 4.01Å; L22-I66 HydrophobicContact CD2-CD1 3.93Å; L22-I66 HydrophobicContact CD2-CG1 3.99Å; L22-I66 HydrophobicContact CD2-CG2 4.46Å |
| 23 | K | 90.8 | Very high | 86.7 | Confident | 132 Ų | 132 | 65 Ų | 65 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -48.4 | 171.7 | -173.7 | -175.7 | 174.2 | -171.3 | 0 | 111.4 | Q19 S20 L21 L25 R26 D27 | Q19-K23 WeakPolarHBondContact O-CB 3.4Å; Q19-K23 PolarHBondContact O-N 2.97Å; S20-K23 WeakPolarHBondContact O-CB 3.24Å; S20-K23 PolarHBondContact O-N 3.16Å; L21-K23 PolarHBondContact O-N 3.48Å; K23-L25 VanDerWaalsContact C-N 3.3Å; K23-L25 PolarHBondContact O-N 3.47Å; K23-R26 PolarHBondContact O-N 3.27Å; K23-D27 WeakPolarHBondContact O-CB 3.43Å; K23-D27 VanDerWaalsContact O-CG 3.28Å; K23-D27 PolarHBondContact O-N 2.89Å |
| 24 | L | 91.3 | Very high | 86.9 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.4 | -44.7 | 176.7 | 179.3 | 71.2 | 0 | 0 | 0 | 111.9 | S20 L21 D27 S28 V39 Q42 V43 L46 F52 | S20-L24 PolarHBondContact O-N 3.48Å; L21-L24 HydrophobicContact CD1-CD2 4.39Å; L21-L24 WeakPolarHBondContact O-CB 3.42Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-L24 VanDerWaalsContact O-N 3.08Å; L24-D27 PolarHBondContact O-N 3.36Å; L24-S28 WeakPolarHBondContact O-CB 3.48Å; L24-S28 PolarHBondContact O-N 3.34Å; L24-S28 PolarHBondContact O-OG 2.92Å; L24-V39 HydrophobicContact CD1-CB 4.4Å; L24-V39 HydrophobicContact CD1-CG1 4.22Å; L24-V39 HydrophobicContact CD1-CG2 4.23Å; L24-Q42 HydrophobicContact CD1-CB 3.79Å; L24-V43 HydrophobicContact CD1-CG2 4.47Å; L24-V43 HydrophobicContact CD2-CG2 4.02Å; L24-V43 HydrophobicContact CG-CG2 4.45Å; L24-L46 HydrophobicContact CD2-CD1 4.09Å; L24-F52 HydrophobicContact CD2-CE2 4.03Å; L24-F52 HydrophobicContact CD2-CZ 4.13Å |
| 25 | L | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 179.2 | -66.4 | 172.6 | 0 | 0 | 0 | 112.5 | L21 K23 S28 L56 V59 T70 A74 I77 | L21-L25 HydrophobicContact CD1-CD1 4.23Å; L21-L25 HydrophobicContact CD1-CG 4.08Å; L21-L25 HydrophobicContact CG-CD1 4.05Å; L21-L25 HydrophobicContact CG-CG 4.33Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.16Å; K23-L25 VanDerWaalsContact C-N 3.3Å; K23-L25 PolarHBondContact O-N 3.47Å; L25-S28 WeakPolarHBondContact O-CB 3.25Å; L25-S28 PolarHBondContact O-N 3.39Å; L25-L56 HydrophobicContact CD2-CD2 4.16Å; L25-V59 HydrophobicContact CD1-CG1 3.84Å; L25-T70 HydrophobicContact CB-CG2 3.64Å; L25-T70 HydrophobicContact CD1-CG2 4.21Å; L25-A74 HydrophobicContact CD1-CB 3.87Å; L25-A74 HydrophobicContact CD2-CB 4.12Å; L25-I77 HydrophobicContact CD2-CD1 3.6Å |
| 26 | R | 88.4 | Confident | 86.5 | Confident | 130 Ų | 130 | 64 Ų | 64 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 173.9 | -72.5 | 173.5 | -174.3 | 162 | 5.2 | 111.7 | L22 K23 S28 Q29 | L22-R26 VanDerWaalsContact O-CG 3.29Å; L22-R26 WeakPolarHBondContact O-CG 3.34Å; L22-R26 PolarHBondContact O-N 3.39Å; K23-R26 PolarHBondContact O-N 3.27Å; R26-S28 PolarHBondContact O-N 3.36Å; R26-Q29 PolarHBondContact O-N 3.4Å; R26-Q29 VanDerWaalsContact O-N 3.11Å |
| 27 | D | 88.6 | Confident | 86.3 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -31.9 | 176.8 | -71.1 | -12.9 | 0 | 0 | 0 | 110.9 | K23 L24 Q29 C30 V35 V39 | K23-D27 WeakPolarHBondContact O-CB 3.43Å; K23-D27 VanDerWaalsContact O-CG 3.28Å; K23-D27 PolarHBondContact O-N 2.89Å; L24-D27 PolarHBondContact O-N 3.36Å; D27-Q29 PolarHBondContact O-N 3.45Å; D27-C30 WeakPolarHBondContact O-CB 3.29Å; D27-C30 PolarHBondContact O-N 2.92Å; D27-C30 VanDerWaalsContact O-N 3.09Å; D27-V35 HydrophobicContact CB-CG1 3.9Å; D27-V35 WeakPolarHBondContact O-CG1 3.22Å; D27-V39 HydrophobicContact CB-CG2 3.86Å |
| 28 | S | 86.4 | Confident | 86.2 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | L24 L25 R26 H36 V39 | L24-S28 WeakPolarHBondContact O-CB 3.48Å; L24-S28 PolarHBondContact O-N 3.34Å; L24-S28 PolarHBondContact O-OG 2.92Å; L25-S28 WeakPolarHBondContact O-CB 3.25Å; L25-S28 PolarHBondContact O-N 3.39Å; R26-S28 PolarHBondContact O-N 3.36Å; S28-H36 PolarHBondContact O-CE1 3.2Å; S28-V39 WeakPolarHBondContact OG-CG1 3.34Å |
| 29 | Q | 84.1 | Confident | 86.1 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -1.2 | 176.3 | -63.5 | 176.5 | 2.2 | 0 | 0 | 112.5 | R26 D27 T70 L73 | R26-Q29 PolarHBondContact O-N 3.4Å; R26-Q29 VanDerWaalsContact O-N 3.11Å; D27-Q29 PolarHBondContact O-N 3.45Å; Q29-T70 VanDerWaalsContact NE2-N 3.15Å; Q29-T70 PolarHBondContact NE2-OG1 3.17Å; Q29-L73 HydrophobicContact CG-CD2 3.75Å |
| 30 | C | 83.3 | Confident | 85.8 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | trans | -74.9 | 128.4 | -179.7 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | D27 N32 V35 H36 | D27-C30 WeakPolarHBondContact O-CB 3.29Å; D27-C30 PolarHBondContact O-N 2.92Å; D27-C30 VanDerWaalsContact O-N 3.09Å; C30-N32 PolarHBondContact O-N 3.07Å; C30-V35 HydrophobicContact CB-CB 4.39Å; C30-V35 HydrophobicContact CB-CG1 3.99Å; C30-H36 PolarHBondContact O-CD2 3.25Å; C30-H36 PolarHBondContact O-NE2 3.35Å | ||
| 31 | A | 80.1 | Confident | 85.7 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 85% | 0.851 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.3 | -0.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 32 | N | 84.4 | Confident | 85.5 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | trans | -83.4 | 118.4 | -178.9 | -175.6 | -32.4 | 0 | 0 | 0 | 111.5 | C30 E34 V35 H36 | C30-N32 PolarHBondContact O-N 3.07Å; N32-E34 VanDerWaalsContact C-N 3.28Å; N32-E34 PolarHBondContact O-N 3.35Å; N32-E34 WeakPolarHBondContact OD1-CB 3.34Å; N32-E34 PolarHBondContact OD1-N 3.31Å; N32-V35 HydrophobicContact CB-CB 4.12Å; N32-V35 HydrophobicContact CB-CG2 3.78Å; N32-V35 WeakPolarHBondContact O-CB 3.35Å; N32-V35 PolarHBondContact O-N 3.34Å; N32-V35 VanDerWaalsContact O-N 3.09Å; N32-H36 PolarHBondContact O-N 3.2Å | ||
| 33 | T | 82.2 | Confident | 85.3 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.4 | -37 | -179.7 | -44.1 | 0 | 0 | 0 | 0 | 114 | H36 R37 | T33-H36 PolarHBondContact O-N 3.08Å; T33-R37 PolarHBondContact O-N 3.26Å |
| 34 | E | 81.6 | Confident | 85 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.7 | -33.9 | -179.4 | -168.5 | 60.7 | -163.4 | 0 | 0 | 111.7 | N32 R37 T38 | N32-E34 VanDerWaalsContact C-N 3.28Å; N32-E34 PolarHBondContact O-N 3.35Å; N32-E34 WeakPolarHBondContact OD1-CB 3.34Å; N32-E34 PolarHBondContact OD1-N 3.31Å; E34-R37 PolarHBondContact O-N 2.97Å; E34-R37 IonicContact OE2-NH1 3.57Å; E34-T38 PolarHBondContact O-N 3.22Å; E34-T38 VanDerWaalsContact O-N 3.08Å; E34-T38 PolarHBondContact O-OG1 3.47Å |
| 35 | V | 82.4 | Confident | 84.8 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 170.9 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | D27 C30 N32 R37 T38 V39 | D27-V35 HydrophobicContact CB-CG1 3.9Å; D27-V35 WeakPolarHBondContact O-CG1 3.22Å; C30-V35 HydrophobicContact CB-CB 4.39Å; C30-V35 HydrophobicContact CB-CG1 3.99Å; N32-V35 HydrophobicContact CB-CB 4.12Å; N32-V35 HydrophobicContact CB-CG2 3.78Å; N32-V35 WeakPolarHBondContact O-CB 3.35Å; N32-V35 PolarHBondContact O-N 3.34Å; N32-V35 VanDerWaalsContact O-N 3.09Å; V35-R37 PolarHBondContact O-N 2.98Å; V35-T38 PolarHBondContact O-N 3.46Å; V35-T38 VanDerWaalsContact O-N 3.15Å; V35-V39 HydrophobicContact CG1-CG2 4.22Å; V35-V39 WeakPolarHBondContact O-CB 3.4Å; V35-V39 VanDerWaalsContact O-CG2 3.27Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 3.09Å |
| 36 | H | 80.3 | Confident | 84.6 | Confident | 87 Ų | 87 | 81.4 Ų | 81.4 | 40% | 0.403 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 175.7 | -97.1 | -73.8 | 0 | 0 | 0 | 113.5 | S28 C30 N32 T33 T38 V39 H40 | S28-H36 PolarHBondContact O-CE1 3.2Å; C30-H36 PolarHBondContact O-CD2 3.25Å; C30-H36 PolarHBondContact O-NE2 3.35Å; N32-H36 PolarHBondContact O-N 3.2Å; T33-H36 PolarHBondContact O-N 3.08Å; H36-T38 VanDerWaalsContact C-N 3.35Å; H36-T38 PolarHBondContact O-N 3.43Å; H36-V39 PolarHBondContact O-N 3.35Å; H36-H40 WeakPolarHBondContact O-CB 3.37Å; H36-H40 PolarHBondContact O-N 3.16Å |
| 37 | R | 81 | Confident | 84.4 | Confident | 159 Ų | 159 | 75.7 Ų | 75.7 | 60% | 0.6 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 175.4 | -76.8 | 179.3 | 177 | 174.8 | -1.8 | 112.4 | T33 E34 V35 H40 K41 | T33-R37 PolarHBondContact O-N 3.26Å; E34-R37 PolarHBondContact O-N 2.97Å; E34-R37 IonicContact OE2-NH1 3.57Å; V35-R37 PolarHBondContact O-N 2.98Å; R37-H40 PolarHBondContact O-N 3.01Å; R37-K41 WeakPolarHBondContact O-CG 3.27Å; R37-K41 PolarHBondContact O-N 3.38Å; R37-K41 VanDerWaalsContact O-N 3.17Å |
| 38 | T | 84.2 | Confident | 84 | Confident | 64 Ų | 64 | 75 Ų | 75 | 39% | 0.393 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 177.9 | -57 | 0 | 0 | 0 | 0 | 110.8 | E34 V35 H36 H40 K41 Q42 | E34-T38 PolarHBondContact O-N 3.22Å; E34-T38 VanDerWaalsContact O-N 3.08Å; E34-T38 PolarHBondContact O-OG1 3.47Å; V35-T38 PolarHBondContact O-N 3.46Å; V35-T38 VanDerWaalsContact O-N 3.15Å; H36-T38 VanDerWaalsContact C-N 3.35Å; H36-T38 PolarHBondContact O-N 3.43Å; T38-H40 PolarHBondContact O-N 3.43Å; T38-K41 PolarHBondContact O-N 3.41Å; T38-Q42 WeakPolarHBondContact O-CG 3.34Å; T38-Q42 PolarHBondContact O-N 3.05Å |
| 39 | V | 85.9 | Confident | 84 | Confident | 10 Ų | 10 | 77.8 Ų | 77.8 | 6% | 0.061 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 174 | 164.1 | 0 | 0 | 0 | 0 | 110.7 | L24 D27 S28 V35 H36 K41 Q42 V43 | L24-V39 HydrophobicContact CD1-CB 4.4Å; L24-V39 HydrophobicContact CD1-CG1 4.22Å; L24-V39 HydrophobicContact CD1-CG2 4.23Å; D27-V39 HydrophobicContact CB-CG2 3.86Å; S28-V39 WeakPolarHBondContact OG-CG1 3.34Å; V35-V39 HydrophobicContact CG1-CG2 4.22Å; V35-V39 WeakPolarHBondContact O-CB 3.4Å; V35-V39 VanDerWaalsContact O-CG2 3.27Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 3.09Å; H36-V39 PolarHBondContact O-N 3.35Å; V39-K41 PolarHBondContact O-N 3.11Å; V39-Q42 PolarHBondContact O-N 2.92Å; V39-Q42 VanDerWaalsContact O-N 3.12Å; V39-V43 HydrophobicContact CG1-CG2 4.17Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 3.2Å |
| 40 | H | 84.2 | Confident | 84.2 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | -179.4 | -168.9 | -82.9 | 0 | 0 | 0 | 111.6 | H36 R37 T38 Q42 V43 E44 | H36-H40 WeakPolarHBondContact O-CB 3.37Å; H36-H40 PolarHBondContact O-N 3.16Å; R37-H40 PolarHBondContact O-N 3.01Å; T38-H40 PolarHBondContact O-N 3.43Å; H40-Q42 VanDerWaalsContact C-N 3.3Å; H40-Q42 PolarHBondContact O-N 3.46Å; H40-V43 PolarHBondContact O-N 2.98Å; H40-E44 IonicContact CE1-OE1 3.32Å; H40-E44 PolarHBondContact CE1-OE1 3.21Å; H40-E44 IonicContact CE1-OE2 3.84Å; H40-E44 VanDerWaalsContact ND1-CD 3.3Å; H40-E44 IonicContact ND1-OE1 3.86Å; H40-E44 IonicContact ND1-OE2 2.69Å; H40-E44 PolarHBondContact ND1-OE2 3.23Å; H40-E44 WeakPolarHBondContact O-CG 3.46Å; H40-E44 PolarHBondContact O-N 3.05Å |
| 41 | K | 86.7 | Confident | 84.5 | Confident | 151 Ų | 151 | 74.5 Ų | 74.5 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 176.3 | -72 | 179.1 | 177.8 | 179.3 | 0 | 112.4 | R37 T38 V39 S45 | R37-K41 WeakPolarHBondContact O-CG 3.27Å; R37-K41 PolarHBondContact O-N 3.38Å; R37-K41 VanDerWaalsContact O-N 3.17Å; T38-K41 PolarHBondContact O-N 3.41Å; V39-K41 PolarHBondContact O-N 3.11Å; K41-S45 WeakPolarHBondContact O-CB 3.43Å; K41-S45 PolarHBondContact O-N 3.04Å |
| 42 | Q | 87.4 | Confident | 85.1 | Confident | 85 Ų | 85 | 70.1 Ų | 70.1 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 177.7 | -74.8 | 179.2 | -9.5 | 0 | 0 | 111.6 | L24 T38 V39 H40 E44 S45 L46 | L24-Q42 HydrophobicContact CD1-CB 3.79Å; T38-Q42 WeakPolarHBondContact O-CG 3.34Å; T38-Q42 PolarHBondContact O-N 3.05Å; V39-Q42 PolarHBondContact O-N 2.92Å; V39-Q42 VanDerWaalsContact O-N 3.12Å; H40-Q42 VanDerWaalsContact C-N 3.3Å; H40-Q42 PolarHBondContact O-N 3.46Å; Q42-E44 PolarHBondContact O-N 2.97Å; Q42-S45 PolarHBondContact O-N 3.4Å; Q42-S45 PolarHBondContact O-OG 2.91Å; Q42-L46 VanDerWaalsContact O-CG 3.32Å; Q42-L46 WeakPolarHBondContact O-CG 3.38Å; Q42-L46 PolarHBondContact O-N 3.14Å |
| 43 | V | 86.9 | Confident | 85.6 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L24 V39 H40 S45 L46 S47 I77 | L24-V43 HydrophobicContact CD1-CG2 4.47Å; L24-V43 HydrophobicContact CD2-CG2 4.02Å; L24-V43 HydrophobicContact CG-CG2 4.45Å; V39-V43 HydrophobicContact CG1-CG2 4.17Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 3.2Å; H40-V43 PolarHBondContact O-N 2.98Å; V43-S45 PolarHBondContact O-N 3.34Å; V43-L46 CarbonylContact O-C 3.59Å; V43-L46 PolarHBondContact O-N 2.88Å; V43-S47 WeakPolarHBondContact O-CB 3.3Å; V43-S47 PolarHBondContact O-N 2.87Å; V43-I77 HydrophobicContact CG1-CG2 3.75Å; V43-I77 HydrophobicContact CG2-CD1 4.39Å |
| 44 | E | 84.7 | Confident | 86.1 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.7 | -75.3 | -179.7 | 140.6 | 0 | 0 | 112.4 | H40 Q42 L46 S47 | H40-E44 IonicContact CE1-OE1 3.32Å; H40-E44 PolarHBondContact CE1-OE1 3.21Å; H40-E44 IonicContact CE1-OE2 3.84Å; H40-E44 VanDerWaalsContact ND1-CD 3.3Å; H40-E44 IonicContact ND1-OE1 3.86Å; H40-E44 IonicContact ND1-OE2 2.69Å; H40-E44 PolarHBondContact ND1-OE2 3.23Å; H40-E44 WeakPolarHBondContact O-CG 3.46Å; H40-E44 PolarHBondContact O-N 3.05Å; Q42-E44 PolarHBondContact O-N 2.97Å; E44-L46 PolarHBondContact O-N 3.47Å; E44-S47 PolarHBondContact O-N 2.97Å; E44-S47 PolarHBondContact O-OG 2.93Å |
| 45 | S | 87.2 | Confident | 86.7 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.2 | -26.7 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | K41 Q42 V43 | K41-S45 WeakPolarHBondContact O-CB 3.43Å; K41-S45 PolarHBondContact O-N 3.04Å; Q42-S45 PolarHBondContact O-N 3.4Å; Q42-S45 PolarHBondContact O-OG 2.91Å; V43-S45 PolarHBondContact O-N 3.34Å |
| 46 | L | 87.6 | Confident | 87.4 | Confident | 61 Ų | 61 | 56 Ų | 56 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -96.9 | -17.6 | -177.9 | -67 | 172.5 | 0 | 0 | 0 | 113.3 | L24 Q42 V43 E44 G48 N49 F52 | L24-L46 HydrophobicContact CD2-CD1 4.09Å; Q42-L46 VanDerWaalsContact O-CG 3.32Å; Q42-L46 WeakPolarHBondContact O-CG 3.38Å; Q42-L46 PolarHBondContact O-N 3.14Å; V43-L46 CarbonylContact O-C 3.59Å; V43-L46 PolarHBondContact O-N 2.88Å; E44-L46 PolarHBondContact O-N 3.47Å; L46-G48 PolarHBondContact O-N 3.19Å; L46-G48 VanDerWaalsContact O-N 3.15Å; L46-N49 WeakPolarHBondContact O-CB 3.42Å; L46-N49 PolarHBondContact O-N 3.28Å; L46-F52 HydrophobicContact CB-CB 4.36Å; L46-F52 HydrophobicContact CB-CD1 3.68Å; L46-F52 HydrophobicContact CB-CD2 3.9Å; L46-F52 HydrophobicContact CB-CE1 3.8Å; L46-F52 HydrophobicContact CB-CE2 3.97Å; L46-F52 HydrophobicContact CB-CG 3.75Å; L46-F52 HydrophobicContact CB-CZ 3.95Å; L46-F52 HydrophobicContact CD1-CD2 3.91Å; L46-F52 HydrophobicContact CD1-CE2 3.63Å; L46-F52 HydrophobicContact CD1-CZ 4.15Å; L46-F52 HydrophobicContact CG-CD2 4.42Å; L46-F52 HydrophobicContact CG-CE2 4.43Å; L46-F52 WeakPolarHBondContact O-CD1 3.37Å |
| 47 | S | 83.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -32.3 | -170.6 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | V43 E44 N49 N81 H85 | V43-S47 WeakPolarHBondContact O-CB 3.3Å; V43-S47 PolarHBondContact O-N 2.87Å; E44-S47 PolarHBondContact O-N 2.97Å; E44-S47 PolarHBondContact O-OG 2.93Å; S47-N49 VanDerWaalsContact C-N 3.32Å; S47-N49 PolarHBondContact O-N 3.44Å; S47-N81 WeakPolarHBondContact CA-OD1 2.87Å; S47-N81 WeakPolarHBondContact CB-OD1 3.13Å; S47-H85 PolarHBondContact O-CD2 3.09Å; S47-H85 PolarHBondContact OG-NE2 3.49Å |
| 48 | G | 80.1 | Confident | 88.8 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L46 P50 | L46-G48 PolarHBondContact O-N 3.19Å; L46-G48 VanDerWaalsContact O-N 3.15Å; G48-P50 WeakPolarHBondContact O-CD 3.48Å |
| 49 | N | 87.3 | Confident | 89.3 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | trans | -89.9 | 115.8 | -179.5 | -175.9 | -14.7 | 0 | 0 | 0 | 111.1 | L46 S47 K51 F52 S53 | L46-N49 WeakPolarHBondContact O-CB 3.42Å; L46-N49 PolarHBondContact O-N 3.28Å; S47-N49 VanDerWaalsContact C-N 3.32Å; S47-N49 PolarHBondContact O-N 3.44Å; N49-K51 PolarHBondContact O-N 2.97Å; N49-K51 VanDerWaalsContact O-N 3.15Å; N49-K51 VanDerWaalsContact OD1-CB 3.32Å; N49-K51 WeakPolarHBondContact OD1-CB 3.37Å; N49-K51 PolarHBondContact OD1-N 3.28Å; N49-F52 HydrophobicContact CB-CB 4.21Å; N49-F52 WeakPolarHBondContact O-CB 3.39Å; N49-F52 PolarHBondContact O-N 3.39Å; N49-S53 PolarHBondContact O-N 3.16Å | ||
| 50 | P | 87.2 | Confident | 89.8 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.4 | -31.4 | 178.6 | -25.5 | 35.2 | 0 | 0 | 0 | 114.1 | G48 F52 S53 Y54 L93 | G48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-F52 VanDerWaalsContact C-N 3.32Å; P50-F52 PolarHBondContact O-N 2.94Å; P50-S53 PolarHBondContact O-N 3.23Å; P50-Y54 PolarHBondContact O-N 3.31Å; P50-L93 HydrophobicContact CB-CD2 3.63Å; P50-L93 WeakPolarHBondContact O-CD2 3.34Å |
| 51 | K | 90 | Very high | 90.3 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -34.1 | 178.1 | -157.1 | -175.7 | -172.8 | -168.7 | 0 | 111.7 | E17 N49 Y54 Y55 | E17-K51 IonicContact OE1-NZ 3.83Å; E17-K51 PolarHBondContact OE1-NZ 3.43Å; E17-K51 WeakPolarHBondContact OE2-CD 3.42Å; E17-K51 WeakPolarHBondContact OE2-CE 3.5Å; E17-K51 IonicContact OE2-NZ 2.8Å; E17-K51 PolarHBondContact OE2-NZ 2.95Å; N49-K51 PolarHBondContact O-N 2.97Å; N49-K51 VanDerWaalsContact O-N 3.15Å; N49-K51 VanDerWaalsContact OD1-CB 3.32Å; N49-K51 WeakPolarHBondContact OD1-CB 3.37Å; N49-K51 PolarHBondContact OD1-N 3.28Å; K51-Y54 WeakPolarHBondContact O-CB 3.44Å; K51-Y54 PolarHBondContact O-N 3.45Å; K51-Y55 HydrophobicContact CD-CE2 3.88Å; K51-Y55 VanDerWaalsContact CE-OH 3.25Å; K51-Y55 WeakPolarHBondContact CE-OH 3.43Å; K51-Y55 HydrophobicContact CG-CD2 4.17Å; K51-Y55 HydrophobicContact CG-CE2 3.67Å; K51-Y55 PolarHBondContact NZ-OH 3.12Å; K51-Y55 WeakPolarHBondContact O-CD2 3.24Å; K51-Y55 PolarHBondContact O-N 2.89Å |
| 52 | F | 92.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.4 | 179.4 | -119.2 | 0 | 0 | 0 | 111.1 | L21 L24 L46 N49 P50 Y54 Y55 L56 I77 N81 | L21-F52 HydrophobicContact CD1-CD2 4.11Å; L21-F52 HydrophobicContact CD1-CE2 3.47Å; L21-F52 VanDerWaalsContact CD1-CE2 3.47Å; L21-F52 HydrophobicContact CD1-CZ 4.32Å; L24-F52 HydrophobicContact CD2-CE2 4.03Å; L24-F52 HydrophobicContact CD2-CZ 4.13Å; L46-F52 HydrophobicContact CB-CB 4.36Å; L46-F52 HydrophobicContact CB-CD1 3.68Å; L46-F52 HydrophobicContact CB-CD2 3.9Å; L46-F52 HydrophobicContact CB-CE1 3.8Å; L46-F52 HydrophobicContact CB-CE2 3.97Å; L46-F52 HydrophobicContact CB-CG 3.75Å; L46-F52 HydrophobicContact CB-CZ 3.95Å; L46-F52 HydrophobicContact CD1-CD2 3.91Å; L46-F52 HydrophobicContact CD1-CE2 3.63Å; L46-F52 HydrophobicContact CD1-CZ 4.15Å; L46-F52 HydrophobicContact CG-CD2 4.42Å; L46-F52 HydrophobicContact CG-CE2 4.43Å; L46-F52 WeakPolarHBondContact O-CD1 3.37Å; N49-F52 HydrophobicContact CB-CB 4.21Å; N49-F52 WeakPolarHBondContact O-CB 3.39Å; N49-F52 PolarHBondContact O-N 3.39Å; P50-F52 VanDerWaalsContact C-N 3.32Å; P50-F52 PolarHBondContact O-N 2.94Å; F52-Y54 VanDerWaalsContact C-N 3.32Å; F52-Y54 PolarHBondContact O-N 3.12Å; F52-Y55 PolarHBondContact O-N 3.38Å; F52-L56 HydrophobicContact CD1-CD1 3.88Å; F52-L56 HydrophobicContact CE1-CD1 3.63Å; F52-L56 HydrophobicContact CE1-CG 4.43Å; F52-L56 HydrophobicContact CE2-CD1 4.47Å; F52-L56 HydrophobicContact CE2-CD2 4.48Å; F52-L56 HydrophobicContact CE2-CG 4.44Å; F52-L56 HydrophobicContact CG-CD1 4.38Å; F52-L56 HydrophobicContact CZ-CD1 3.95Å; F52-L56 HydrophobicContact CZ-CD2 4.31Å; F52-L56 HydrophobicContact CZ-CG 4.33Å; F52-L56 WeakPolarHBondContact O-CG 3.39Å; F52-L56 PolarHBondContact O-N 3.19Å; F52-I77 HydrophobicContact CE1-CG2 4.23Å; F52-I77 HydrophobicContact CZ-CG2 4.31Å; F52-N81 VanDerWaalsContact CD1-ND2 3.3Å; F52-N81 WeakPolarHBondContact CD1-ND2 3.4Å |
| 53 | S | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -38 | 174.3 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | N49 P50 L56 V57 N81 F89 | N49-S53 PolarHBondContact O-N 3.16Å; P50-S53 PolarHBondContact O-N 3.23Å; S53-L56 PolarHBondContact O-N 3.02Å; S53-V57 PolarHBondContact O-N 3.48Å; S53-N81 PolarHBondContact OG-ND2 3.35Å; S53-F89 VanDerWaalsContact OG-CZ 3.25Å; S53-F89 WeakPolarHBondContact OG-CZ 3.25Å |
| 54 | Y | 94.1 | Very high | 91.1 | Very high | 28 Ų | 28 | 33.2 Ų | 33.2 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 172.4 | 178.3 | -92.7 | 0 | 0 | 0 | 112.1 | Y11 I13 P50 K51 F52 V57 H58 L93 Y96 | Y11-Y54 VanDerWaalsContact CB-CZ 3.48Å; Y11-Y54 HydrophobicContact CD1-CD1 4.03Å; Y11-Y54 AromaticContact CD1-CD2 3.56Å; Y11-Y54 HydrophobicContact CD1-CD2 3.56Å; Y11-Y54 HydrophobicContact CD1-CE2 4.17Å; Y11-Y54 AromaticContact CD1-CG 3.48Å; Y11-Y54 HydrophobicContact CD1-CG 3.48Å; Y11-Y54 VanDerWaalsContact CD1-CG 3.48Å; Y11-Y54 HydrophobicContact CD2-CD2 4.47Å; Y11-Y54 HydrophobicContact CE1-CD2 4.23Å; Y11-Y54 HydrophobicContact CE1-CG 4.2Å; Y11-Y54 HydrophobicContact CG-CD1 4.45Å; Y11-Y54 AromaticContact CG-CD2 3.72Å; Y11-Y54 HydrophobicContact CG-CD2 3.72Å; Y11-Y54 AromaticContact CG-CE2 3.86Å; Y11-Y54 HydrophobicContact CG-CE2 3.86Å; Y11-Y54 HydrophobicContact CG-CG 4.04Å; Y11-Y54 WeakPolarHBondContact O-CE1 3.34Å; Y11-Y54 PolarHBondContact O-OH 2.77Å; I13-Y54 HydrophobicContact CG1-CE1 4.5Å; P50-Y54 PolarHBondContact O-N 3.31Å; K51-Y54 WeakPolarHBondContact O-CB 3.44Å; K51-Y54 PolarHBondContact O-N 3.45Å; F52-Y54 VanDerWaalsContact C-N 3.32Å; F52-Y54 PolarHBondContact O-N 3.12Å; Y54-V57 WeakPolarHBondContact O-CG1 3.39Å; Y54-H58 WeakPolarHBondContact O-CB 3.43Å; Y54-H58 PolarHBondContact O-N 3.25Å; Y54-L93 HydrophobicContact CD2-CD1 4.03Å; Y54-L93 HydrophobicContact CG-CD1 4.42Å; Y54-Y96 AromaticContact CD2-CD1 3.5Å; Y54-Y96 HydrophobicContact CD2-CD1 3.5Å; Y54-Y96 VanDerWaalsContact CD2-CD1 3.5Å; Y54-Y96 AromaticContact CD2-CE1 3.51Å; Y54-Y96 HydrophobicContact CD2-CE1 3.51Å; Y54-Y96 HydrophobicContact CD2-CG 4.18Å; Y54-Y96 AromaticContact CE2-CD1 3.47Å; Y54-Y96 HydrophobicContact CE2-CD1 3.47Å; Y54-Y96 VanDerWaalsContact CE2-CD1 3.47Å; Y54-Y96 HydrophobicContact CE2-CD2 4.08Å; Y54-Y96 AromaticContact CE2-CE1 3.22Å; Y54-Y96 HydrophobicContact CE2-CE1 3.22Å; Y54-Y96 AromaticContact CE2-CE2 3.87Å; Y54-Y96 HydrophobicContact CE2-CE2 3.87Å; Y54-Y96 AromaticContact CE2-CG 3.89Å; Y54-Y96 HydrophobicContact CE2-CG 3.89Å; Y54-Y96 AromaticContact CE2-CZ 3.43Å; Y54-Y96 VanDerWaalsContact CE2-CZ 3.43Å; Y54-Y96 HydrophobicContact CG-CE1 4.37Å; Y54-Y96 AromaticContact CZ-CE1 3.91Å; Y54-Y96 AromaticContact CZ-CZ 3.79Å |
| 55 | Y | 94 | Very high | 91.5 | Very high | 8 Ų | 8 | 35 Ų | 35 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 178.5 | -71.5 | -60.7 | 0 | 0 | 0 | 112.8 | I13 D14 E17 L18 L21 K51 F52 V57 H58 V59 | I13-Y55 HydrophobicContact CB-CE1 4.42Å; I13-Y55 HydrophobicContact CG1-CE1 4.41Å; I13-Y55 HydrophobicContact CG2-CE1 4.18Å; D14-Y55 PolarHBondContact N-OH 3.42Å; E17-Y55 HydrophobicContact CB-CE2 4.06Å; E17-Y55 WeakPolarHBondContact OE2-CE2 3.36Å; E17-Y55 PolarHBondContact OE2-OH 3.43Å; L18-Y55 HydrophobicContact CD1-CD1 4.13Å; L21-Y55 VanDerWaalsContact CD2-CB 3.4Å; L21-Y55 HydrophobicContact CD2-CG 4.43Å; K51-Y55 HydrophobicContact CD-CE2 3.88Å; K51-Y55 VanDerWaalsContact CE-OH 3.25Å; K51-Y55 WeakPolarHBondContact CE-OH 3.43Å; K51-Y55 HydrophobicContact CG-CD2 4.17Å; K51-Y55 HydrophobicContact CG-CE2 3.67Å; K51-Y55 PolarHBondContact NZ-OH 3.12Å; K51-Y55 WeakPolarHBondContact O-CD2 3.24Å; K51-Y55 PolarHBondContact O-N 2.89Å; F52-Y55 PolarHBondContact O-N 3.38Å; Y55-V57 PolarHBondContact O-N 3.35Å; Y55-H58 WeakPolarHBondContact O-CB 3.15Å; Y55-H58 PolarHBondContact O-N 2.82Å; Y55-V59 VanDerWaalsContact O-CG2 3.3Å; Y55-V59 WeakPolarHBondContact O-CG2 3.35Å; Y55-V59 PolarHBondContact O-N 2.9Å |
| 56 | L | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 178.4 | -73.3 | 169.7 | 0 | 0 | 0 | 111.8 | L21 L25 F52 S53 H58 V59 M60 A74 I77 L78 | L21-L56 HydrophobicContact CD1-CD2 3.85Å; L21-L56 HydrophobicContact CD2-CD2 4.42Å; L25-L56 HydrophobicContact CD2-CD2 4.16Å; F52-L56 HydrophobicContact CD1-CD1 3.88Å; F52-L56 HydrophobicContact CE1-CD1 3.63Å; F52-L56 HydrophobicContact CE1-CG 4.43Å; F52-L56 HydrophobicContact CE2-CD1 4.47Å; F52-L56 HydrophobicContact CE2-CD2 4.48Å; F52-L56 HydrophobicContact CE2-CG 4.44Å; F52-L56 HydrophobicContact CG-CD1 4.38Å; F52-L56 HydrophobicContact CZ-CD1 3.95Å; F52-L56 HydrophobicContact CZ-CD2 4.31Å; F52-L56 HydrophobicContact CZ-CG 4.33Å; F52-L56 WeakPolarHBondContact O-CG 3.39Å; F52-L56 PolarHBondContact O-N 3.19Å; S53-L56 PolarHBondContact O-N 3.02Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 3.21Å; L56-V59 PolarHBondContact O-N 3.01Å; L56-M60 WeakPolarHBondContact O-CB 3.42Å; L56-M60 PolarHBondContact O-N 3.15Å; L56-A74 HydrophobicContact CD2-CB 3.96Å; L56-I77 HydrophobicContact CD1-CB 4.39Å; L56-I77 HydrophobicContact CD1-CG2 3.81Å; L56-I77 HydrophobicContact CD2-CB 4.37Å; L56-I77 HydrophobicContact CD2-CG2 4.28Å; L56-L78 HydrophobicContact CB-CB 4.1Å; L56-L78 HydrophobicContact CD1-CB 4.16Å |
| 57 | V | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.7 | -33.2 | 177.4 | 79.5 | 0 | 0 | 0 | 0 | 111.6 | S53 Y54 Y55 M60 V61 L78 Y96 I97 Q100 | S53-V57 PolarHBondContact O-N 3.48Å; Y54-V57 WeakPolarHBondContact O-CG1 3.39Å; Y55-V57 PolarHBondContact O-N 3.35Å; V57-M60 PolarHBondContact O-N 2.88Å; V57-V61 HydrophobicContact CG2-CG2 4.45Å; V57-V61 PolarHBondContact O-N 3.25Å; V57-V61 VanDerWaalsContact O-N 3.11Å; V57-L78 HydrophobicContact CB-CD2 3.65Å; V57-L78 HydrophobicContact CG2-CD2 4.02Å; V57-Y96 HydrophobicContact CG1-CD1 3.73Å; V57-Y96 HydrophobicContact CG1-CE1 3.55Å; V57-I97 HydrophobicContact CB-CG1 4.43Å; V57-I97 HydrophobicContact CG1-CG1 4.02Å; V57-I97 HydrophobicContact CG2-CG2 4.49Å; V57-Q100 HydrophobicContact CG1-CB 4.5Å; V57-Q100 HydrophobicContact CG1-CG 4.27Å; V57-Q100 HydrophobicContact CG2-CB 3.52Å; V57-Q100 HydrophobicContact CG2-CG 4.18Å |
| 58 | H | 94.5 | Very high | 92.3 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 175.9 | -171.8 | 81 | 0 | 0 | 0 | 112.2 | I13 Y54 Y55 L56 V61 N62 M63 Y96 | I13-H58 VanDerWaalsContact CD1-CE1 3.49Å; I13-H58 WeakPolarHBondContact CD1-CE1 3.42Å; I13-H58 VanDerWaalsContact CD1-NE2 3.29Å; I13-H58 WeakPolarHBondContact CD1-NE2 3.22Å; Y54-H58 WeakPolarHBondContact O-CB 3.43Å; Y54-H58 PolarHBondContact O-N 3.25Å; Y55-H58 WeakPolarHBondContact O-CB 3.15Å; Y55-H58 PolarHBondContact O-N 2.82Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 3.21Å; H58-V61 PolarHBondContact O-N 3.16Å; H58-N62 PolarHBondContact ND1-ND2 2.68Å; H58-N62 WeakPolarHBondContact O-CB 3.48Å; H58-N62 PolarHBondContact O-N 2.76Å; H58-M63 PolarHBondContact O-N 3.2Å; H58-Y96 PolarHBondContact ND1-OH 2.92Å; H58-Y96 VanDerWaalsContact ND1-OH 3.13Å |
| 59 | V | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.1 | -48.4 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | L18 L21 L22 L25 Y55 L56 V61 M63 R71 A74 | L18-V59 HydrophobicContact CD1-CG2 3.81Å; L21-V59 HydrophobicContact CD2-CG2 3.82Å; L22-V59 HydrophobicContact CD2-CG1 4.07Å; L22-V59 HydrophobicContact CD2-CG2 4.16Å; L25-V59 HydrophobicContact CD1-CG1 3.84Å; Y55-V59 VanDerWaalsContact O-CG2 3.3Å; Y55-V59 WeakPolarHBondContact O-CG2 3.35Å; Y55-V59 PolarHBondContact O-N 2.9Å; L56-V59 PolarHBondContact O-N 3.01Å; V59-V61 PolarHBondContact O-N 3.02Å; V59-M63 HydrophobicContact CB-SD 4.31Å; V59-M63 HydrophobicContact CG2-SD 3.67Å; V59-R71 HydrophobicContact CG1-CG 4.49Å; V59-R71 WeakPolarHBondContact O-CG 3.38Å; V59-A74 HydrophobicContact CB-CB 4.34Å; V59-A74 HydrophobicContact CG1-CB 4.15Å |
| 60 | M | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.3 | -48.8 | -179.4 | 178.1 | -174.8 | 141.6 | 0 | 0 | 112.1 | L56 V57 R71 A74 G75 A104 I112 A115 A116 L119 | L56-M60 WeakPolarHBondContact O-CB 3.42Å; L56-M60 PolarHBondContact O-N 3.15Å; V57-M60 PolarHBondContact O-N 2.88Å; M60-R71 WeakPolarHBondContact CB-O 3.32Å; M60-R71 PolarHBondContact O-NE 3.21Å; M60-R71 PolarHBondContact O-NH2 3.04Å; M60-R71 VanDerWaalsContact O-NH2 3.12Å; M60-A74 HydrophobicContact CB-CB 4.44Å; M60-G75 VanDerWaalsContact SD-CA 3.6Å; M60-A104 HydrophobicContact CE-CB 3.97Å; M60-I112 HydrophobicContact CE-CG2 4.13Å; M60-I112 HydrophobicContact CG-CG2 4.25Å; M60-A115 HydrophobicContact CE-CB 4.2Å; M60-A115 HydrophobicContact SD-CB 4.26Å; M60-A116 HydrophobicContact CE-CB 3.78Å; M60-L119 HydrophobicContact CE-CD1 4.01Å; M60-L119 HydrophobicContact SD-CD1 3.59Å; M60-L119 VanDerWaalsContact SD-CD1 3.59Å |
| 61 | V | 95.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -99.2 | -43.3 | -167.2 | -175.6 | 0 | 0 | 0 | 0 | 113.7 | V57 H58 V59 Q100 K103 A104 | V57-V61 HydrophobicContact CG2-CG2 4.45Å; V57-V61 PolarHBondContact O-N 3.25Å; V57-V61 VanDerWaalsContact O-N 3.11Å; H58-V61 PolarHBondContact O-N 3.16Å; V59-V61 PolarHBondContact O-N 3.02Å; V61-Q100 HydrophobicContact CB-CB 4.42Å; V61-Q100 VanDerWaalsContact CG1-OE1 3.26Å; V61-Q100 HydrophobicContact CG2-CB 4.06Å; V61-K103 HydrophobicContact CG1-CB 4.23Å; V61-A104 HydrophobicContact CG1-CB 4.37Å; V61-A104 HydrophobicContact CG2-CB 3.85Å |
| 62 | N | 93.7 | Very high | 93.8 | Very high | 58 Ų | 58 | 29.3 Ų | 29.3 | 31% | 0.31 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -98.1 | -27.3 | -167.9 | -57.6 | -62.2 | 0 | 0 | 0 | 114.3 | H58 T64 Q100 | H58-N62 PolarHBondContact ND1-ND2 2.68Å; H58-N62 WeakPolarHBondContact O-CB 3.48Å; H58-N62 PolarHBondContact O-N 2.76Å; N62-T64 VanDerWaalsContact C-N 3.3Å; N62-T64 PolarHBondContact O-N 3.17Å; N62-Q100 PolarHBondContact ND2-NE2 3.18Å; N62-Q100 PolarHBondContact ND2-OE1 2.97Å; N62-Q100 PolarHBondContact OD1-OE1 3.36Å |
| 63 | M | 93 | Very high | 93.9 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.069 | 17% | 0.17 | C | C | . | . | trans | -85.4 | 67.8 | -176.5 | -63.6 | -170.5 | 74 | 0 | 0 | 112 | L18 L22 H58 V59 E65 I66 R71 | L18-M63 HydrophobicContact CD1-SD 3.78Å; L18-M63 HydrophobicContact CD2-CE 3.81Å; L18-M63 HydrophobicContact CD2-SD 3.85Å; L18-M63 HydrophobicContact CG-CE 4.35Å; L18-M63 HydrophobicContact CG-SD 4.18Å; L22-M63 HydrophobicContact CD1-CE 4Å; H58-M63 PolarHBondContact O-N 3.2Å; V59-M63 HydrophobicContact CB-SD 4.31Å; V59-M63 HydrophobicContact CG2-SD 3.67Å; M63-E65 WeakPolarHBondContact CA-OE2 3.45Å; M63-E65 WeakPolarHBondContact CE-OE1 3.31Å; M63-E65 PolarHBondContact O-N 3.3Å; M63-E65 VanDerWaalsContact O-N 3.14Å; M63-I66 HydrophobicContact CB-CG1 3.95Å; M63-I66 HydrophobicContact CE-CD1 4.43Å; M63-I66 HydrophobicContact CE-CG1 4.1Å; M63-I66 WeakPolarHBondContact O-CB 3.45Å; M63-I66 PolarHBondContact O-N 3.47Å; M63-R71 WeakPolarHBondContact O-CD 3.37Å | ||
| 64 | T | 91.1 | Very high | 94 | Very high | 98 Ų | 98 | 30.6 Ų | 30.6 | 60% | 0.601 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.7 | -175.9 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | N62 I66 | N62-T64 VanDerWaalsContact C-N 3.3Å; N62-T64 PolarHBondContact O-N 3.17Å; T64-I66 VanDerWaalsContact C-N 3.28Å |
| 65 | E | 91.7 | Very high | 94.1 | Very high | 130 Ų | 130 | 29.3 Ų | 29.3 | 61% | 0.607 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17 | 173.8 | 68.7 | -78 | -177.4 | 0 | 0 | 113.7 | M63 | M63-E65 WeakPolarHBondContact CA-OE2 3.45Å; M63-E65 WeakPolarHBondContact CE-OE1 3.31Å; M63-E65 PolarHBondContact O-N 3.3Å; M63-E65 VanDerWaalsContact O-N 3.14Å |
| 66 | I | 92.2 | Very high | 94 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -85.5 | 145.4 | 174.9 | -54.9 | -61.2 | 0 | 0 | 0 | 109.2 | L22 M63 T64 T70 R71 | L22-I66 HydrophobicContact CD1-CD1 4.01Å; L22-I66 HydrophobicContact CD2-CD1 3.93Å; L22-I66 HydrophobicContact CD2-CG1 3.99Å; L22-I66 HydrophobicContact CD2-CG2 4.46Å; M63-I66 HydrophobicContact CB-CG1 3.95Å; M63-I66 HydrophobicContact CE-CD1 4.43Å; M63-I66 HydrophobicContact CE-CG1 4.1Å; M63-I66 WeakPolarHBondContact O-CB 3.45Å; M63-I66 PolarHBondContact O-N 3.47Å; T64-I66 VanDerWaalsContact C-N 3.28Å; I66-T70 HydrophobicContact CG2-CG2 3.82Å; I66-R71 HydrophobicContact CB-CG 3.93Å; I66-R71 HydrophobicContact CG2-CG 3.97Å; I66-R71 WeakPolarHBondContact O-CD 3.5Å |
| 67 | D | 92.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 37% | 0.369 | 19% | 0.193 | S | C | . | . | trans | -60.6 | 148.5 | 179.2 | 68.5 | -84.3 | 0 | 0 | 0 | 112.2 | S69 T70 R71 | D67-S69 VanDerWaalsContact C-N 3.29Å; D67-S69 PolarHBondContact O-N 3.36Å; D67-S69 WeakPolarHBondContact OD2-CB 3.38Å; D67-S69 PolarHBondContact OD2-N 3.18Å; D67-S69 PolarHBondContact OD2-OG 3.27Å; D67-T70 PolarHBondContact O-N 2.88Å; D67-T70 WeakPolarHBondContact OD1-CB 3.49Å; D67-T70 PolarHBondContact OD1-OG1 2.86Å; D67-T70 WeakPolarHBondContact OD2-CB 3.39Å; D67-T70 PolarHBondContact OD2-N 3.4Å; D67-T70 PolarHBondContact OD2-OG1 3.28Å; D67-R71 WeakPolarHBondContact O-CG 3.45Å; D67-R71 PolarHBondContact O-N 3.33Å; D67-R71 VanDerWaalsContact O-N 3.15Å | ||
| 68 | C | 92.5 | Very high | 93.9 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.9 | -35.9 | -175.1 | -177.5 | 0 | 0 | 0 | 0 | 113.1 | R71 A72 | C68-R71 PolarHBondContact O-N 3.2Å; C68-A72 WeakPolarHBondContact O-CB 3.3Å; C68-A72 PolarHBondContact O-N 3.1Å |
| 69 | S | 91.6 | Very high | 94 | Very high | 72 Ų | 72 | 37 Ų | 37 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 179.6 | 25.9 | 0 | 0 | 0 | 0 | 112.1 | D67 R71 A72 L73 | D67-S69 VanDerWaalsContact C-N 3.29Å; D67-S69 PolarHBondContact O-N 3.36Å; D67-S69 WeakPolarHBondContact OD2-CB 3.38Å; D67-S69 PolarHBondContact OD2-N 3.18Å; D67-S69 PolarHBondContact OD2-OG 3.27Å; S69-R71 VanDerWaalsContact C-N 3.35Å; S69-A72 PolarHBondContact O-N 3.26Å; S69-L73 WeakPolarHBondContact O-CB 3.45Å; S69-L73 PolarHBondContact O-N 2.57Å |
| 70 | T | 93 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | L25 Q29 I66 D67 L73 A74 | L25-T70 HydrophobicContact CB-CG2 3.64Å; L25-T70 HydrophobicContact CD1-CG2 4.21Å; Q29-T70 VanDerWaalsContact NE2-N 3.15Å; Q29-T70 PolarHBondContact NE2-OG1 3.17Å; I66-T70 HydrophobicContact CG2-CG2 3.82Å; D67-T70 PolarHBondContact O-N 2.88Å; D67-T70 WeakPolarHBondContact OD1-CB 3.49Å; D67-T70 PolarHBondContact OD1-OG1 2.86Å; D67-T70 WeakPolarHBondContact OD2-CB 3.39Å; D67-T70 PolarHBondContact OD2-N 3.4Å; D67-T70 PolarHBondContact OD2-OG1 3.28Å; T70-L73 PolarHBondContact O-N 2.94Å; T70-A74 PolarHBondContact O-N 3.34Å; T70-A74 VanDerWaalsContact O-N 3.1Å |
| 71 | R | 96 | Very high | 93.7 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 176 | -69.5 | 171.7 | 58.2 | -159.2 | -4.4 | 112.5 | V59 M60 M63 I66 D67 C68 S69 L73 A74 G75 E109 I112 | V59-R71 HydrophobicContact CG1-CG 4.49Å; V59-R71 WeakPolarHBondContact O-CG 3.38Å; M60-R71 WeakPolarHBondContact CB-O 3.32Å; M60-R71 PolarHBondContact O-NE 3.21Å; M60-R71 PolarHBondContact O-NH2 3.04Å; M60-R71 VanDerWaalsContact O-NH2 3.12Å; M63-R71 WeakPolarHBondContact O-CD 3.37Å; I66-R71 HydrophobicContact CB-CG 3.93Å; I66-R71 HydrophobicContact CG2-CG 3.97Å; I66-R71 WeakPolarHBondContact O-CD 3.5Å; D67-R71 WeakPolarHBondContact O-CG 3.45Å; D67-R71 PolarHBondContact O-N 3.33Å; D67-R71 VanDerWaalsContact O-N 3.15Å; C68-R71 PolarHBondContact O-N 3.2Å; S69-R71 VanDerWaalsContact C-N 3.35Å; R71-L73 VanDerWaalsContact C-N 3.34Å; R71-A74 WeakPolarHBondContact O-CB 3.33Å; R71-A74 PolarHBondContact O-N 2.97Å; R71-G75 PolarHBondContact O-N 3.11Å; R71-E109 IonicContact CZ-OE1 3.66Å; R71-E109 IonicContact NH1-OE1 2.75Å; R71-E109 PolarHBondContact NH1-OE1 3.27Å; R71-E109 IonicContact NH2-OE1 3.7Å; R71-I112 HydrophobicContact CB-CD1 3.43Å; R71-I112 VanDerWaalsContact CB-CD1 3.43Å |
| 72 | A | 94.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C68 S69 A74 G75 L76 I112 A115 | C68-A72 WeakPolarHBondContact O-CB 3.3Å; C68-A72 PolarHBondContact O-N 3.1Å; S69-A72 PolarHBondContact O-N 3.26Å; A72-A74 VanDerWaalsContact C-N 3.3Å; A72-A74 PolarHBondContact O-N 3.29Å; A72-G75 WeakPolarHBondContact O-CA 3.41Å; A72-G75 PolarHBondContact O-N 3.43Å; A72-G75 VanDerWaalsContact O-N 3.07Å; A72-L76 PolarHBondContact O-N 2.94Å; A72-I112 HydrophobicContact CB-CD1 4.25Å; A72-A115 HydrophobicContact CB-CB 4.47Å |
| 73 | L | 94.2 | Very high | 93.6 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 20% | 0.199 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -38 | 174.9 | -179.2 | 59.9 | 0 | 0 | 0 | 112.4 | Q29 S69 T70 R71 G75 L76 I77 | Q29-L73 HydrophobicContact CG-CD2 3.75Å; S69-L73 WeakPolarHBondContact O-CB 3.45Å; S69-L73 PolarHBondContact O-N 2.57Å; T70-L73 PolarHBondContact O-N 2.94Å; R71-L73 VanDerWaalsContact C-N 3.34Å; L73-G75 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L73-I77 HydrophobicContact CD1-CD1 4.46Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 4.21Å; L73-I77 WeakPolarHBondContact O-CG1 3.15Å; L73-I77 PolarHBondContact O-N 3.41Å |
| 74 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L25 L56 V59 M60 T70 R71 A72 L78 | L25-A74 HydrophobicContact CD1-CB 3.87Å; L25-A74 HydrophobicContact CD2-CB 4.12Å; L56-A74 HydrophobicContact CD2-CB 3.96Å; V59-A74 HydrophobicContact CB-CB 4.34Å; V59-A74 HydrophobicContact CG1-CB 4.15Å; M60-A74 HydrophobicContact CB-CB 4.44Å; T70-A74 PolarHBondContact O-N 3.34Å; T70-A74 VanDerWaalsContact O-N 3.1Å; R71-A74 WeakPolarHBondContact O-CB 3.33Å; R71-A74 PolarHBondContact O-N 2.97Å; A72-A74 VanDerWaalsContact C-N 3.3Å; A72-A74 PolarHBondContact O-N 3.29Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 2.93Å |
| 75 | G | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M60 R71 A72 L73 I77 L78 K79 L119 | M60-G75 VanDerWaalsContact SD-CA 3.6Å; R71-G75 PolarHBondContact O-N 3.11Å; A72-G75 WeakPolarHBondContact O-CA 3.41Å; A72-G75 PolarHBondContact O-N 3.43Å; A72-G75 VanDerWaalsContact O-N 3.07Å; L73-G75 PolarHBondContact O-N 3.4Å; G75-I77 PolarHBondContact O-N 3.07Å; G75-L78 WeakPolarHBondContact O-CB 3.42Å; G75-L78 PolarHBondContact O-N 3.45Å; G75-K79 PolarHBondContact O-N 3.32Å; G75-L119 WeakPolarHBondContact O-CD2 3.22Å |
| 76 | L | 93 | Very high | 93.7 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.7 | -37.5 | 177.5 | -66.1 | 177.5 | 0 | 0 | 0 | 113 | A72 L73 K79 | A72-L76 PolarHBondContact O-N 2.94Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L76-K79 VanDerWaalsContact O-CB 3.25Å; L76-K79 WeakPolarHBondContact O-CB 3.4Å; L76-K79 PolarHBondContact O-N 3.34Å |
| 77 | I | 93.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 12% | 0.118 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 173.3 | -67 | 169.5 | 0 | 0 | 0 | 110 | L25 V43 F52 L56 L73 G75 K79 G80 N81 | L25-I77 HydrophobicContact CD2-CD1 3.6Å; V43-I77 HydrophobicContact CG1-CG2 3.75Å; V43-I77 HydrophobicContact CG2-CD1 4.39Å; F52-I77 HydrophobicContact CE1-CG2 4.23Å; F52-I77 HydrophobicContact CZ-CG2 4.31Å; L56-I77 HydrophobicContact CD1-CB 4.39Å; L56-I77 HydrophobicContact CD1-CG2 3.81Å; L56-I77 HydrophobicContact CD2-CB 4.37Å; L56-I77 HydrophobicContact CD2-CG2 4.28Å; L73-I77 HydrophobicContact CD1-CD1 4.46Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 4.21Å; L73-I77 WeakPolarHBondContact O-CG1 3.15Å; L73-I77 PolarHBondContact O-N 3.41Å; G75-I77 PolarHBondContact O-N 3.07Å; I77-K79 PolarHBondContact O-N 3.25Å; I77-G80 PolarHBondContact O-N 2.94Å; I77-G80 VanDerWaalsContact O-N 3.07Å; I77-N81 PolarHBondContact O-N 3.31Å |
| 78 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -35.2 | 177.4 | 178.2 | 62.1 | 0 | 0 | 0 | 112.4 | L56 V57 A74 G75 G80 N81 I82 I97 L119 | L56-L78 HydrophobicContact CB-CB 4.1Å; L56-L78 HydrophobicContact CD1-CB 4.16Å; V57-L78 HydrophobicContact CB-CD2 3.65Å; V57-L78 HydrophobicContact CG2-CD2 4.02Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 2.93Å; G75-L78 WeakPolarHBondContact O-CB 3.42Å; G75-L78 PolarHBondContact O-N 3.45Å; L78-G80 VanDerWaalsContact C-N 3.25Å; L78-G80 PolarHBondContact O-N 3.26Å; L78-N81 HydrophobicContact CD1-CB 4.45Å; L78-N81 PolarHBondContact O-N 3.09Å; L78-I82 HydrophobicContact CD1-CD1 4.37Å; L78-I82 HydrophobicContact CD1-CG1 4.1Å; L78-I82 HydrophobicContact CD2-CD1 4.47Å; L78-I82 HydrophobicContact CG-CD1 3.99Å; L78-I82 HydrophobicContact CG-CG1 4.17Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 2.97Å; L78-I97 HydrophobicContact CD2-CG2 4.46Å; L78-L119 HydrophobicContact CB-CD2 4Å; L78-L119 HydrophobicContact CD2-CD1 3.87Å; L78-L119 HydrophobicContact CD2-CD2 4.01Å; L78-L119 HydrophobicContact CG-CD2 3.81Å |
| 79 | K | 95.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 37% | 0.365 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -49.7 | -47.7 | 172.8 | -172.6 | -161.3 | -179.1 | 169.8 | 0 | 111.7 | G75 L76 I77 I82 R83 V118 L119 T122 | G75-K79 PolarHBondContact O-N 3.32Å; L76-K79 VanDerWaalsContact O-CB 3.25Å; L76-K79 WeakPolarHBondContact O-CB 3.4Å; L76-K79 PolarHBondContact O-N 3.34Å; I77-K79 PolarHBondContact O-N 3.25Å; K79-I82 PolarHBondContact O-N 3.11Å; K79-R83 PolarHBondContact O-N 3.26Å; K79-V118 HydrophobicContact CB-CG1 4.47Å; K79-V118 HydrophobicContact CD-CG1 3.51Å; K79-V118 HydrophobicContact CG-CG1 3.93Å; K79-L119 HydrophobicContact CB-CD2 4.23Å; K79-T122 HydrophobicContact CG-CG2 4.03Å; K79-T122 WeakPolarHBondContact CG-OG1 3.19Å |
| 80 | G | 91.4 | Very high | 93.5 | Very high | 25 Ų | 25 | 45 Ų | 45 | 26% | 0.258 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I77 L78 R84 | I77-G80 PolarHBondContact O-N 2.94Å; I77-G80 VanDerWaalsContact O-N 3.07Å; L78-G80 VanDerWaalsContact C-N 3.25Å; L78-G80 PolarHBondContact O-N 3.26Å; G80-R84 WeakPolarHBondContact O-CG 3.46Å; G80-R84 PolarHBondContact O-N 2.96Å |
| 81 | N | 93.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 177.9 | -65.6 | 2.3 | 0 | 0 | 0 | 112 | S47 F52 S53 I77 L78 R84 H85 F89 | S47-N81 WeakPolarHBondContact CA-OD1 2.87Å; S47-N81 WeakPolarHBondContact CB-OD1 3.13Å; F52-N81 VanDerWaalsContact CD1-ND2 3.3Å; F52-N81 WeakPolarHBondContact CD1-ND2 3.4Å; S53-N81 PolarHBondContact OG-ND2 3.35Å; I77-N81 PolarHBondContact O-N 3.31Å; L78-N81 HydrophobicContact CD1-CB 4.45Å; L78-N81 PolarHBondContact O-N 3.09Å; N81-R84 PolarHBondContact O-N 2.78Å; N81-H85 WeakPolarHBondContact O-CB 3.45Å; N81-H85 PolarHBondContact O-N 2.96Å; N81-F89 HydrophobicContact CB-CZ 4.36Å |
| 82 | I | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.9 | -54.3 | 176.1 | -69.1 | 178.7 | 0 | 0 | 0 | 108.8 | L78 K79 R84 H85 W86 F89 I97 L119 T122 I123 | L78-I82 HydrophobicContact CD1-CD1 4.37Å; L78-I82 HydrophobicContact CD1-CG1 4.1Å; L78-I82 HydrophobicContact CD2-CD1 4.47Å; L78-I82 HydrophobicContact CG-CD1 3.99Å; L78-I82 HydrophobicContact CG-CG1 4.17Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 2.97Å; K79-I82 PolarHBondContact O-N 3.11Å; I82-R84 PolarHBondContact O-N 2.98Å; I82-H85 PolarHBondContact O-N 3.4Å; I82-W86 HydrophobicContact CB-CE3 4.23Å; I82-W86 HydrophobicContact CD1-CE3 4.45Å; I82-W86 HydrophobicContact CD1-CZ3 4.18Å; I82-W86 HydrophobicContact CG1-CE3 3.95Å; I82-W86 HydrophobicContact CG1-CZ3 4.1Å; I82-W86 HydrophobicContact CG2-CB 4.28Å; I82-W86 HydrophobicContact CG2-CD2 4.07Å; I82-W86 HydrophobicContact CG2-CE3 3.66Å; I82-W86 HydrophobicContact CG2-CG 4.37Å; I82-W86 HydrophobicContact CG2-CZ3 4.29Å; I82-W86 WeakPolarHBondContact O-CA 3.43Å; I82-W86 WeakPolarHBondContact O-CB 3.24Å; I82-W86 PolarHBondContact O-N 3.04Å; I82-F89 HydrophobicContact CG1-CE2 4.33Å; I82-I97 HydrophobicContact CD1-CG2 4.14Å; I82-L119 HydrophobicContact CD1-CD2 3.76Å; I82-T122 HydrophobicContact CB-CG2 4.22Å; I82-T122 HydrophobicContact CG2-CG2 3.84Å; I82-I123 HydrophobicContact CD1-CD1 4.09Å; I82-I123 HydrophobicContact CD1-CG1 3.84Å; I82-I123 HydrophobicContact CG2-CG1 4.01Å |
| 83 | R | 92.5 | Very high | 93.2 | Very high | 195 Ų | 195 | 52.3 Ų | 52.3 | 74% | 0.736 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.5 | -31.7 | -176.7 | -167.9 | 174.2 | -177.9 | 175.5 | 3.3 | 114 | K79 T122 | K79-R83 PolarHBondContact O-N 3.26Å; R83-T122 HydrophobicContact CB-CG2 4.18Å |
| 84 | R | 91.4 | Very high | 93.2 | Very high | 150 Ų | 150 | 52.4 Ų | 52.4 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -94.4 | -28.4 | -177.8 | -65.6 | 178.6 | -165.8 | 159.7 | 0.9 | 114.6 | G80 N81 I82 | G80-R84 WeakPolarHBondContact O-CG 3.46Å; G80-R84 PolarHBondContact O-N 2.96Å; N81-R84 PolarHBondContact O-N 2.78Å; I82-R84 PolarHBondContact O-N 2.98Å |
| 85 | H | 92.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -135 | 9.1 | -163.9 | -54.8 | -54.5 | 0 | 0 | 0 | 113.5 | S47 N81 I82 D87 S88 F89 | S47-H85 PolarHBondContact O-CD2 3.09Å; S47-H85 PolarHBondContact OG-NE2 3.49Å; N81-H85 WeakPolarHBondContact O-CB 3.45Å; N81-H85 PolarHBondContact O-N 2.96Å; I82-H85 PolarHBondContact O-N 3.4Å; H85-D87 PolarHBondContact O-N 3.08Å; H85-S88 PolarHBondContact O-N 3.45Å; H85-S88 PolarHBondContact O-OG 3.14Å; H85-F89 HydrophobicContact CB-CD1 4.46Å; H85-F89 HydrophobicContact CB-CE1 3.72Å; H85-F89 HydrophobicContact CB-CZ 4.12Å; H85-F89 VanDerWaalsContact O-CD1 3.26Å; H85-F89 WeakPolarHBondContact O-CD1 3.5Å; H85-F89 WeakPolarHBondContact O-CE1 3.34Å; H85-F89 PolarHBondContact O-N 3.13Å |
| 86 | W | 94 | Very high | 93.1 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -50.7 | -45.4 | -178.7 | -172.8 | -114.8 | 0 | 0 | 0 | 112.7 | I82 S88 F89 R94 I97 I123 C126 E127 | I82-W86 HydrophobicContact CB-CE3 4.23Å; I82-W86 HydrophobicContact CD1-CE3 4.45Å; I82-W86 HydrophobicContact CD1-CZ3 4.18Å; I82-W86 HydrophobicContact CG1-CE3 3.95Å; I82-W86 HydrophobicContact CG1-CZ3 4.1Å; I82-W86 HydrophobicContact CG2-CB 4.28Å; I82-W86 HydrophobicContact CG2-CD2 4.07Å; I82-W86 HydrophobicContact CG2-CE3 3.66Å; I82-W86 HydrophobicContact CG2-CG 4.37Å; I82-W86 HydrophobicContact CG2-CZ3 4.29Å; I82-W86 WeakPolarHBondContact O-CA 3.43Å; I82-W86 WeakPolarHBondContact O-CB 3.24Å; I82-W86 PolarHBondContact O-N 3.04Å; W86-S88 VanDerWaalsContact C-N 3.26Å; W86-S88 PolarHBondContact O-N 2.73Å; W86-F89 AromaticContact CE3-CD2 3.71Å; W86-F89 HydrophobicContact CE3-CD2 3.71Å; W86-F89 HydrophobicContact CE3-CE2 4.08Å; W86-F89 HydrophobicContact CZ3-CD2 4.07Å; W86-F89 HydrophobicContact CZ3-CE2 4.5Å; W86-F89 WeakPolarHBondContact O-CB 3.34Å; W86-F89 PolarHBondContact O-N 2.8Å; W86-F89 VanDerWaalsContact O-N 3.09Å; W86-R94 HydrophobicContact CD2-CG 4.33Å; W86-R94 HydrophobicContact CE3-CG 4.37Å; W86-R94 HydrophobicContact CH2-CB 3.81Å; W86-R94 HydrophobicContact CH2-CG 3.82Å; W86-R94 HydrophobicContact CZ2-CB 3.85Å; W86-R94 HydrophobicContact CZ2-CG 3.73Å; W86-R94 HydrophobicContact CZ3-CB 4.5Å; W86-R94 HydrophobicContact CZ3-CG 4.14Å; W86-R94 VanDerWaalsContact O-CZ 3.24Å; W86-R94 PolarHBondContact O-NE 3.28Å; W86-R94 PolarHBondContact O-NH2 3.46Å; W86-R94 VanDerWaalsContact O-NH2 3.09Å; W86-I97 HydrophobicContact CZ3-CD1 4.1Å; W86-I97 HydrophobicContact CZ3-CG2 4.36Å; W86-I123 HydrophobicContact CH2-CD1 4.02Å; W86-I123 HydrophobicContact CH2-CG1 3.87Å; W86-I123 HydrophobicContact CH2-CG2 4.05Å; W86-I123 HydrophobicContact CZ2-CG1 4.23Å; W86-I123 HydrophobicContact CZ2-CG2 3.63Å; W86-I123 HydrophobicContact CZ3-CD1 4.38Å; W86-I123 HydrophobicContact CZ3-CG1 4.07Å; W86-C126 HydrophobicContact CB-CB 3.93Å; W86-C126 HydrophobicContact CG-CB 3.78Å; W86-E127 WeakPolarHBondContact CZ2-OE2 3.45Å; W86-E127 PolarHBondContact NE1-OE2 3.43Å |
| 87 | D | 91 | Very high | 93.3 | Very high | 130 Ų | 130 | 52.7 Ų | 52.7 | 70% | 0.695 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -66.9 | -22.8 | -178.8 | -71 | -32.8 | 0 | 0 | 0 | 114.3 | H85 R94 | H85-D87 PolarHBondContact O-N 3.08Å; D87-R94 PolarHBondContact O-NH2 3.34Å |
| 88 | S | 90 | Very high | 93.5 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 54% | 0.538 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -86 | -12 | 175.7 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | H85 W86 | H85-S88 PolarHBondContact O-N 3.45Å; H85-S88 PolarHBondContact O-OG 3.14Å; W86-S88 VanDerWaalsContact C-N 3.26Å; W86-S88 PolarHBondContact O-N 2.73Å |
| 89 | F | 91.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 2% | 0.022 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.5 | 141.9 | 178.2 | -65.2 | -5.7 | 0 | 0 | 0 | 111.4 | S53 N81 I82 H85 W86 L93 R94 I97 | S53-F89 VanDerWaalsContact OG-CZ 3.25Å; S53-F89 WeakPolarHBondContact OG-CZ 3.25Å; N81-F89 HydrophobicContact CB-CZ 4.36Å; I82-F89 HydrophobicContact CG1-CE2 4.33Å; H85-F89 HydrophobicContact CB-CD1 4.46Å; H85-F89 HydrophobicContact CB-CE1 3.72Å; H85-F89 HydrophobicContact CB-CZ 4.12Å; H85-F89 VanDerWaalsContact O-CD1 3.26Å; H85-F89 WeakPolarHBondContact O-CD1 3.5Å; H85-F89 WeakPolarHBondContact O-CE1 3.34Å; H85-F89 PolarHBondContact O-N 3.13Å; W86-F89 AromaticContact CE3-CD2 3.71Å; W86-F89 HydrophobicContact CE3-CD2 3.71Å; W86-F89 HydrophobicContact CE3-CE2 4.08Å; W86-F89 HydrophobicContact CZ3-CD2 4.07Å; W86-F89 HydrophobicContact CZ3-CE2 4.5Å; W86-F89 WeakPolarHBondContact O-CB 3.34Å; W86-F89 PolarHBondContact O-N 2.8Å; W86-F89 VanDerWaalsContact O-N 3.09Å; F89-L93 HydrophobicContact CB-CD2 4.05Å; F89-L93 HydrophobicContact CB-CG 4.45Å; F89-L93 HydrophobicContact CD1-CD2 4.13Å; F89-L93 HydrophobicContact CD2-CD2 4.05Å; F89-L93 HydrophobicContact CD2-CG 4.42Å; F89-L93 HydrophobicContact CG-CD2 3.81Å; F89-L93 HydrophobicContact CG-CG 4.48Å; F89-R94 HydrophobicContact CB-CG 3.88Å; F89-R94 PolarHBondContact O-NE 3.02Å; F89-R94 VanDerWaalsContact O-NE 3.16Å; F89-R94 PolarHBondContact O-NH2 3.44Å; F89-R94 VanDerWaalsContact O-NH2 3.15Å; F89-I97 HydrophobicContact CD2-CD1 4.07Å; F89-I97 HydrophobicContact CE2-CD1 4.1Å |
| 90 | S | 92 | Very high | 93.5 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | trans | -64.6 | 152.9 | 173.7 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | Y11 S92 L93 R94 | Y11-S90 PolarHBondContact OH-OG 3.16Å; Y11-S90 VanDerWaalsContact OH-OG 3.11Å; S90-S92 PolarHBondContact O-N 3.08Å; S90-S92 PolarHBondContact OG-OG 2.92Å; S90-S92 VanDerWaalsContact OG-OG 3.1Å; S90-L93 PolarHBondContact O-N 3.39Å; S90-L93 VanDerWaalsContact O-N 3.1Å; S90-L93 WeakPolarHBondContact OG-CB 3.28Å; S90-L93 PolarHBondContact OG-N 2.95Å; S90-R94 WeakPolarHBondContact O-CG 3.28Å; S90-R94 PolarHBondContact O-N 3.42Å | ||
| 91 | N | 91 | Very high | 93.8 | Very high | 127 Ų | 127 | 52.6 Ų | 52.6 | 68% | 0.679 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.7 | -33.8 | 176.4 | -73.5 | -23.6 | 0 | 0 | 0 | 112.7 | S95 | N91-S95 VanDerWaalsContact O-CB 3.27Å; N91-S95 WeakPolarHBondContact O-CB 3.35Å; N91-S95 PolarHBondContact O-N 2.85Å; N91-S95 PolarHBondContact O-OG 3.46Å |
| 92 | S | 91.5 | Very high | 93.9 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | S90 S95 Y96 | S90-S92 PolarHBondContact O-N 3.08Å; S90-S92 PolarHBondContact OG-OG 2.92Å; S90-S92 VanDerWaalsContact OG-OG 3.1Å; S92-S95 PolarHBondContact O-N 2.82Å; S92-Y96 WeakPolarHBondContact O-CB 3.37Å; S92-Y96 PolarHBondContact O-N 3.15Å |
| 93 | L | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 176.1 | -179.7 | 57.5 | 0 | 0 | 0 | 112.1 | Y11 P50 Y54 F89 S90 S95 Y96 I97 | Y11-L93 HydrophobicContact CE1-CD1 4.28Å; P50-L93 HydrophobicContact CB-CD2 3.63Å; P50-L93 WeakPolarHBondContact O-CD2 3.34Å; Y54-L93 HydrophobicContact CD2-CD1 4.03Å; Y54-L93 HydrophobicContact CG-CD1 4.42Å; F89-L93 HydrophobicContact CB-CD2 4.05Å; F89-L93 HydrophobicContact CB-CG 4.45Å; F89-L93 HydrophobicContact CD1-CD2 4.13Å; F89-L93 HydrophobicContact CD2-CD2 4.05Å; F89-L93 HydrophobicContact CD2-CG 4.42Å; F89-L93 HydrophobicContact CG-CD2 3.81Å; F89-L93 HydrophobicContact CG-CG 4.48Å; S90-L93 PolarHBondContact O-N 3.39Å; S90-L93 VanDerWaalsContact O-N 3.1Å; S90-L93 WeakPolarHBondContact OG-CB 3.28Å; S90-L93 PolarHBondContact OG-N 2.95Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 3.46Å; L93-Y96 WeakPolarHBondContact O-CB 3.43Å; L93-Y96 PolarHBondContact O-N 3.23Å; L93-Y96 VanDerWaalsContact O-N 3.16Å; L93-I97 HydrophobicContact CD1-CD1 3.94Å; L93-I97 HydrophobicContact CD1-CG1 4.07Å; L93-I97 HydrophobicContact CG-CD1 3.87Å; L93-I97 HydrophobicContact CG-CG1 4.41Å; L93-I97 WeakPolarHBondContact O-CG1 3.2Å; L93-I97 PolarHBondContact O-N 3.28Å |
| 94 | R | 95.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -48.2 | 176 | -67.1 | -173.9 | -165.4 | 170.1 | 16.2 | 110.8 | W86 D87 F89 S90 Y96 I97 R98 | W86-R94 HydrophobicContact CD2-CG 4.33Å; W86-R94 HydrophobicContact CE3-CG 4.37Å; W86-R94 HydrophobicContact CH2-CB 3.81Å; W86-R94 HydrophobicContact CH2-CG 3.82Å; W86-R94 HydrophobicContact CZ2-CB 3.85Å; W86-R94 HydrophobicContact CZ2-CG 3.73Å; W86-R94 HydrophobicContact CZ3-CB 4.5Å; W86-R94 HydrophobicContact CZ3-CG 4.14Å; W86-R94 VanDerWaalsContact O-CZ 3.24Å; W86-R94 PolarHBondContact O-NE 3.28Å; W86-R94 PolarHBondContact O-NH2 3.46Å; W86-R94 VanDerWaalsContact O-NH2 3.09Å; D87-R94 PolarHBondContact O-NH2 3.34Å; F89-R94 HydrophobicContact CB-CG 3.88Å; F89-R94 PolarHBondContact O-NE 3.02Å; F89-R94 VanDerWaalsContact O-NE 3.16Å; F89-R94 PolarHBondContact O-NH2 3.44Å; F89-R94 VanDerWaalsContact O-NH2 3.15Å; S90-R94 WeakPolarHBondContact O-CG 3.28Å; S90-R94 PolarHBondContact O-N 3.42Å; R94-Y96 VanDerWaalsContact C-N 3.32Å; R94-Y96 PolarHBondContact O-N 3.31Å; R94-I97 PolarHBondContact O-N 3.47Å; R94-R98 WeakPolarHBondContact O-CB 3.5Å; R94-R98 WeakPolarHBondContact O-CG 3.32Å; R94-R98 PolarHBondContact O-N 3.12Å |
| 95 | S | 94.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.9 | -38.9 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | N91 S92 L93 N99 | N91-S95 VanDerWaalsContact O-CB 3.27Å; N91-S95 WeakPolarHBondContact O-CB 3.35Å; N91-S95 PolarHBondContact O-N 2.85Å; N91-S95 PolarHBondContact O-OG 3.46Å; S92-S95 PolarHBondContact O-N 2.82Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 3.46Å; S95-N99 WeakPolarHBondContact O-CB 3.4Å; S95-N99 VanDerWaalsContact O-CG 3.25Å; S95-N99 PolarHBondContact O-N 3.32Å; S95-N99 PolarHBondContact O-ND2 3.43Å |
| 96 | Y | 95 | Very high | 94.2 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -50.8 | 175 | -176.3 | -101.7 | 0 | 0 | 0 | 111.6 | Y54 V57 H58 S92 L93 R94 R98 N99 Q100 | Y54-Y96 AromaticContact CD2-CD1 3.5Å; Y54-Y96 HydrophobicContact CD2-CD1 3.5Å; Y54-Y96 VanDerWaalsContact CD2-CD1 3.5Å; Y54-Y96 AromaticContact CD2-CE1 3.51Å; Y54-Y96 HydrophobicContact CD2-CE1 3.51Å; Y54-Y96 HydrophobicContact CD2-CG 4.18Å; Y54-Y96 AromaticContact CE2-CD1 3.47Å; Y54-Y96 HydrophobicContact CE2-CD1 3.47Å; Y54-Y96 VanDerWaalsContact CE2-CD1 3.47Å; Y54-Y96 HydrophobicContact CE2-CD2 4.08Å; Y54-Y96 AromaticContact CE2-CE1 3.22Å; Y54-Y96 HydrophobicContact CE2-CE1 3.22Å; Y54-Y96 AromaticContact CE2-CE2 3.87Å; Y54-Y96 HydrophobicContact CE2-CE2 3.87Å; Y54-Y96 AromaticContact CE2-CG 3.89Å; Y54-Y96 HydrophobicContact CE2-CG 3.89Å; Y54-Y96 AromaticContact CE2-CZ 3.43Å; Y54-Y96 VanDerWaalsContact CE2-CZ 3.43Å; Y54-Y96 HydrophobicContact CG-CE1 4.37Å; Y54-Y96 AromaticContact CZ-CE1 3.91Å; Y54-Y96 AromaticContact CZ-CZ 3.79Å; V57-Y96 HydrophobicContact CG1-CD1 3.73Å; V57-Y96 HydrophobicContact CG1-CE1 3.55Å; H58-Y96 PolarHBondContact ND1-OH 2.92Å; H58-Y96 VanDerWaalsContact ND1-OH 3.13Å; S92-Y96 WeakPolarHBondContact O-CB 3.37Å; S92-Y96 PolarHBondContact O-N 3.15Å; L93-Y96 WeakPolarHBondContact O-CB 3.43Å; L93-Y96 PolarHBondContact O-N 3.23Å; L93-Y96 VanDerWaalsContact O-N 3.16Å; R94-Y96 VanDerWaalsContact C-N 3.32Å; R94-Y96 PolarHBondContact O-N 3.31Å; Y96-R98 VanDerWaalsContact C-N 3.35Å; Y96-R98 PolarHBondContact O-N 2.94Å; Y96-N99 PolarHBondContact O-N 2.96Å; Y96-Q100 HydrophobicContact CD1-CG 4.01Å; Y96-Q100 HydrophobicContact CD2-CG 4.46Å; Y96-Q100 HydrophobicContact CE1-CG 3.72Å; Y96-Q100 HydrophobicContact CE2-CG 4.21Å; Y96-Q100 VanDerWaalsContact CE2-NE2 3.34Å; Y96-Q100 HydrophobicContact CG-CG 4.38Å; Y96-Q100 VanDerWaalsContact CZ-NE2 3.35Å; Y96-Q100 VanDerWaalsContact O-CG 3.26Å; Y96-Q100 WeakPolarHBondContact O-CG 3.42Å; Y96-Q100 PolarHBondContact O-N 3.23Å; Y96-Q100 PolarHBondContact OH-NE2 3.08Å |
| 97 | I | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -48.4 | 178.7 | -67.9 | 168.3 | 0 | 0 | 0 | 110.3 | V57 L78 I82 W86 F89 L93 R94 N99 Q100 C101 I123 | V57-I97 HydrophobicContact CB-CG1 4.43Å; V57-I97 HydrophobicContact CG1-CG1 4.02Å; V57-I97 HydrophobicContact CG2-CG2 4.49Å; L78-I97 HydrophobicContact CD2-CG2 4.46Å; I82-I97 HydrophobicContact CD1-CG2 4.14Å; W86-I97 HydrophobicContact CZ3-CD1 4.1Å; W86-I97 HydrophobicContact CZ3-CG2 4.36Å; F89-I97 HydrophobicContact CD2-CD1 4.07Å; F89-I97 HydrophobicContact CE2-CD1 4.1Å; L93-I97 HydrophobicContact CD1-CD1 3.94Å; L93-I97 HydrophobicContact CD1-CG1 4.07Å; L93-I97 HydrophobicContact CG-CD1 3.87Å; L93-I97 HydrophobicContact CG-CG1 4.41Å; L93-I97 WeakPolarHBondContact O-CG1 3.2Å; L93-I97 PolarHBondContact O-N 3.28Å; R94-I97 PolarHBondContact O-N 3.47Å; I97-N99 PolarHBondContact O-N 3.11Å; I97-Q100 PolarHBondContact O-N 3.21Å; I97-C101 PolarHBondContact O-N 3.03Å; I97-C101 PolarHBondContact O-SG 2.97Å; I97-I123 HydrophobicContact CG2-CD1 3.99Å |
| 98 | R | 97.4 | Very high | 94 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.8 | -51.7 | 175.7 | -72.9 | -176.6 | -157.5 | 132.6 | 0.7 | 111.7 | R94 Y96 Q100 C101 L102 E127 W132 | R94-R98 WeakPolarHBondContact O-CB 3.5Å; R94-R98 WeakPolarHBondContact O-CG 3.32Å; R94-R98 PolarHBondContact O-N 3.12Å; Y96-R98 VanDerWaalsContact C-N 3.35Å; Y96-R98 PolarHBondContact O-N 2.94Å; R98-Q100 VanDerWaalsContact C-N 3.31Å; R98-Q100 PolarHBondContact O-N 3.08Å; R98-C101 WeakPolarHBondContact O-CB 3.43Å; R98-C101 PolarHBondContact O-N 3.31Å; R98-C101 VanDerWaalsContact O-N 3.15Å; R98-L102 WeakPolarHBondContact O-CG 3.38Å; R98-L102 PolarHBondContact O-N 3.4Å; R98-E127 IonicContact CZ-OE1 2.74Å; R98-E127 IonicContact CZ-OE2 3.41Å; R98-E127 IonicContact NE-OE1 3.3Å; R98-E127 PolarHBondContact NE-OE1 3.12Å; R98-E127 IonicContact NE-OE2 3.64Å; R98-E127 IonicContact NH2-OE1 3.23Å; R98-E127 PolarHBondContact NH2-OE1 3.28Å; R98-E127 IonicContact NH2-OE2 3.12Å; R98-E127 PolarHBondContact NH2-OE2 3.38Å; R98-W132 HydrophobicContact CB-CD2 4.33Å; R98-W132 HydrophobicContact CB-CH2 3.96Å; R98-W132 HydrophobicContact CB-CZ2 3.39Å; R98-W132 HydrophobicContact CG-CD2 3.79Å; R98-W132 HydrophobicContact CG-CE3 3.99Å; R98-W132 HydrophobicContact CG-CG 4.45Å; R98-W132 HydrophobicContact CG-CH2 3.84Å; R98-W132 HydrophobicContact CG-CZ2 3.63Å; R98-W132 HydrophobicContact CG-CZ3 4.02Å; R98-W132 WeakPolarHBondContact O-CZ2 3.09Å |
| 99 | N | 96.4 | Very high | 94.2 | Very high | 86 Ų | 86 | 42 Ų | 42 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -36.3 | -179.8 | -76.7 | -35.8 | 0 | 0 | 0 | 113.2 | S95 Y96 I97 L102 K103 | S95-N99 WeakPolarHBondContact O-CB 3.4Å; S95-N99 VanDerWaalsContact O-CG 3.25Å; S95-N99 PolarHBondContact O-N 3.32Å; S95-N99 PolarHBondContact O-ND2 3.43Å; Y96-N99 PolarHBondContact O-N 2.96Å; I97-N99 PolarHBondContact O-N 3.11Å; N99-L102 PolarHBondContact O-N 3.45Å; N99-K103 WeakPolarHBondContact O-CG 3.49Å; N99-K103 PolarHBondContact O-N 3.41Å; N99-K103 VanDerWaalsContact O-N 3.1Å |
| 100 | Q | 97 | Very high | 94.2 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 175 | -67.3 | -62.4 | -28.6 | 0 | 0 | 111.2 | V57 V61 N62 Y96 I97 R98 L102 K103 A104 | V57-Q100 HydrophobicContact CG1-CB 4.5Å; V57-Q100 HydrophobicContact CG1-CG 4.27Å; V57-Q100 HydrophobicContact CG2-CB 3.52Å; V57-Q100 HydrophobicContact CG2-CG 4.18Å; V61-Q100 HydrophobicContact CB-CB 4.42Å; V61-Q100 VanDerWaalsContact CG1-OE1 3.26Å; V61-Q100 HydrophobicContact CG2-CB 4.06Å; N62-Q100 PolarHBondContact ND2-NE2 3.18Å; N62-Q100 PolarHBondContact ND2-OE1 2.97Å; N62-Q100 PolarHBondContact OD1-OE1 3.36Å; Y96-Q100 HydrophobicContact CD1-CG 4.01Å; Y96-Q100 HydrophobicContact CD2-CG 4.46Å; Y96-Q100 HydrophobicContact CE1-CG 3.72Å; Y96-Q100 HydrophobicContact CE2-CG 4.21Å; Y96-Q100 VanDerWaalsContact CE2-NE2 3.34Å; Y96-Q100 HydrophobicContact CG-CG 4.38Å; Y96-Q100 VanDerWaalsContact CZ-NE2 3.35Å; Y96-Q100 VanDerWaalsContact O-CG 3.26Å; Y96-Q100 WeakPolarHBondContact O-CG 3.42Å; Y96-Q100 PolarHBondContact O-N 3.23Å; Y96-Q100 PolarHBondContact OH-NE2 3.08Å; I97-Q100 PolarHBondContact O-N 3.21Å; R98-Q100 VanDerWaalsContact C-N 3.31Å; R98-Q100 PolarHBondContact O-N 3.08Å; Q100-L102 PolarHBondContact O-N 2.85Å; Q100-K103 PolarHBondContact O-N 3.33Å; Q100-A104 WeakPolarHBondContact O-CB 3.28Å; Q100-A104 PolarHBondContact O-N 3.02Å |
| 101 | C | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 173.2 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | I97 R98 K103 A104 I105 I120 W132 | I97-C101 PolarHBondContact O-N 3.03Å; I97-C101 PolarHBondContact O-SG 2.97Å; R98-C101 WeakPolarHBondContact O-CB 3.43Å; R98-C101 PolarHBondContact O-N 3.31Å; R98-C101 VanDerWaalsContact O-N 3.15Å; C101-K103 PolarHBondContact O-N 3.01Å; C101-A104 WeakPolarHBondContact O-CB 3.33Å; C101-A104 PolarHBondContact O-N 3.27Å; C101-A104 VanDerWaalsContact O-N 3.17Å; C101-I105 WeakPolarHBondContact O-CG1 3.49Å; C101-I105 PolarHBondContact O-N 3.39Å; C101-I120 HydrophobicContact CB-CD1 4.34Å; C101-I120 HydrophobicContact CB-CG1 3.98Å; C101-W132 HydrophobicContact CB-CH2 4.12Å |
| 102 | L | 96.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 176.5 | -63.7 | -177.6 | 0 | 0 | 0 | 112.1 | R98 N99 Q100 A104 I105 W132 L135 H138 | R98-L102 WeakPolarHBondContact O-CG 3.38Å; R98-L102 PolarHBondContact O-N 3.4Å; N99-L102 PolarHBondContact O-N 3.45Å; Q100-L102 PolarHBondContact O-N 2.85Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.25Å; L102-I105 HydrophobicContact CD2-CD1 4.3Å; L102-I105 PolarHBondContact O-N 3.07Å; L102-W132 HydrophobicContact CD2-CZ2 3.88Å; L102-W132 HydrophobicContact CG-CZ2 3.97Å; L102-L135 HydrophobicContact CD2-CD1 3.62Å; L102-H138 HydrophobicContact CD1-CB 4.34Å; L102-H138 HydrophobicContact CD2-CB 4.03Å; L102-H138 PolarHBondContact O-NE2 2.93Å |
| 103 | K | 94.9 | Very high | 94.6 | Very high | 120 Ų | 120 | 41.3 Ų | 41.3 | 52% | 0.522 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 175.5 | -72 | 174.5 | -176.2 | -180 | 0 | 112.4 | V61 N99 Q100 C101 I105 S106 | V61-K103 HydrophobicContact CG1-CB 4.23Å; N99-K103 WeakPolarHBondContact O-CG 3.49Å; N99-K103 PolarHBondContact O-N 3.41Å; N99-K103 VanDerWaalsContact O-N 3.1Å; Q100-K103 PolarHBondContact O-N 3.33Å; C101-K103 PolarHBondContact O-N 3.01Å; K103-I105 PolarHBondContact O-N 3.35Å; K103-S106 PolarHBondContact O-N 3.49Å |
| 104 | A | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -18.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M60 V61 Q100 C101 L102 S106 V107 I112 A116 | M60-A104 HydrophobicContact CE-CB 3.97Å; V61-A104 HydrophobicContact CG1-CB 4.37Å; V61-A104 HydrophobicContact CG2-CB 3.85Å; Q100-A104 WeakPolarHBondContact O-CB 3.28Å; Q100-A104 PolarHBondContact O-N 3.02Å; C101-A104 WeakPolarHBondContact O-CB 3.33Å; C101-A104 PolarHBondContact O-N 3.27Å; C101-A104 VanDerWaalsContact O-N 3.17Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.25Å; A104-S106 VanDerWaalsContact C-N 3.31Å; A104-S106 PolarHBondContact O-N 2.96Å; A104-V107 WeakPolarHBondContact O-CG2 3.41Å; A104-I112 HydrophobicContact CB-CG2 4.15Å; A104-A116 HydrophobicContact CB-CB 3.65Å |
| 105 | I | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -26.1 | -178.7 | -60.3 | 159.9 | 0 | 0 | 0 | 111.5 | C101 L102 K103 I120 M139 I142 A154 V157 | C101-I105 WeakPolarHBondContact O-CG1 3.49Å; C101-I105 PolarHBondContact O-N 3.39Å; L102-I105 HydrophobicContact CD2-CD1 4.3Å; L102-I105 PolarHBondContact O-N 3.07Å; K103-I105 PolarHBondContact O-N 3.35Å; I105-I120 HydrophobicContact CD1-CD1 3.56Å; I105-I120 HydrophobicContact CG1-CD1 4.14Å; I105-M139 HydrophobicContact CD1-CE 3.14Å; I105-M139 HydrophobicContact CD1-SD 4.29Å; I105-M139 HydrophobicContact CG1-CE 4.31Å; I105-M139 HydrophobicContact CG2-CE 4.17Å; I105-I142 HydrophobicContact CB-CD1 4.23Å; I105-I142 HydrophobicContact CG2-CD1 3.71Å; I105-A154 HydrophobicContact CG2-CB 4.09Å; I105-V157 HydrophobicContact CD1-CG1 4.5Å; I105-V157 HydrophobicContact CG1-CG2 4.31Å; I105-V157 HydrophobicContact CG2-CG2 4.38Å |
| 106 | S | 91.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 40 Ų | 40 | 37% | 0.371 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 9.6 | -179 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | K103 A104 | K103-S106 PolarHBondContact O-N 3.49Å; A104-S106 VanDerWaalsContact C-N 3.31Å; A104-S106 PolarHBondContact O-N 2.96Å |
| 107 | V | 92.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 17% | 0.17 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -83 | 149.2 | 178 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | A104 E109 I112 V113 | A104-V107 WeakPolarHBondContact O-CG2 3.41Å; V107-E109 VanDerWaalsContact C-N 3.26Å; V107-E109 WeakPolarHBondContact CB-OE2 3.47Å; V107-E109 PolarHBondContact O-N 3.13Å; V107-I112 HydrophobicContact CG2-CB 3.82Å; V107-I112 HydrophobicContact CG2-CG2 3.83Å; V107-V113 HydrophobicContact CG2-CG2 4.03Å |
| 108 | P | 88.1 | Confident | 94.8 | Very high | 119 Ų | 119 | 38.9 Ų | 38.9 | 77% | 0.773 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -69.3 | -21.8 | -177.3 | 26.6 | -34.6 | 0 | 0 | 0 | 113.7 | K110 | P108-K110 PolarHBondContact O-N 3.27Š|
| 109 | E | 93.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | trans | -80.9 | 105.6 | -175.3 | -55 | 99.1 | 135.5 | 0 | 0 | 112.8 | R71 V107 G111 I112 V113 | R71-E109 IonicContact CZ-OE1 3.66Å; R71-E109 IonicContact NH1-OE1 2.75Å; R71-E109 PolarHBondContact NH1-OE1 3.27Å; R71-E109 IonicContact NH2-OE1 3.7Å; V107-E109 VanDerWaalsContact C-N 3.26Å; V107-E109 WeakPolarHBondContact CB-OE2 3.47Å; V107-E109 PolarHBondContact O-N 3.13Å; E109-G111 PolarHBondContact O-N 3.12Å; E109-G111 VanDerWaalsContact O-N 3.1Å; E109-I112 HydrophobicContact CB-CB 4.3Å; E109-I112 HydrophobicContact CB-CG1 3.78Å; E109-I112 WeakPolarHBondContact O-CB 3.25Å; E109-I112 PolarHBondContact O-N 3.39Å; E109-V113 PolarHBondContact O-N 3.25Å | ||
| 110 | K | 91.9 | Very high | 94.9 | Very high | 177 Ų | 177 | 32.9 Ų | 32.9 | 77% | 0.77 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -50.7 | -37.1 | 179.1 | -64 | -173.1 | 178.8 | -173.4 | 0 | 114.4 | P108 I112 V113 S114 | P108-K110 PolarHBondContact O-N 3.27Å; K110-I112 VanDerWaalsContact C-N 3.3Å; K110-I112 PolarHBondContact O-N 2.92Å; K110-V113 PolarHBondContact O-N 2.85Å; K110-S114 WeakPolarHBondContact O-CB 3.47Å; K110-S114 PolarHBondContact O-N 3.28Å |
| 111 | G | 92 | Very high | 94.8 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 33% | 0.33 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64 | -34.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E109 A115 | E109-G111 PolarHBondContact O-N 3.12Å; E109-G111 VanDerWaalsContact O-N 3.1Å; G111-A115 WeakPolarHBondContact O-CB 3.49Å; G111-A115 PolarHBondContact O-N 2.81Å; G111-A115 VanDerWaalsContact O-N 3.12Å |
| 112 | I | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76 | -40.8 | 177.6 | -54.1 | -56.8 | 0 | 0 | 0 | 110.7 | M60 R71 A72 A104 V107 E109 K110 S114 A115 A116 | M60-I112 HydrophobicContact CE-CG2 4.13Å; M60-I112 HydrophobicContact CG-CG2 4.25Å; R71-I112 HydrophobicContact CB-CD1 3.43Å; R71-I112 VanDerWaalsContact CB-CD1 3.43Å; A72-I112 HydrophobicContact CB-CD1 4.25Å; A104-I112 HydrophobicContact CB-CG2 4.15Å; V107-I112 HydrophobicContact CG2-CB 3.82Å; V107-I112 HydrophobicContact CG2-CG2 3.83Å; E109-I112 HydrophobicContact CB-CB 4.3Å; E109-I112 HydrophobicContact CB-CG1 3.78Å; E109-I112 WeakPolarHBondContact O-CB 3.25Å; E109-I112 PolarHBondContact O-N 3.39Å; K110-I112 VanDerWaalsContact C-N 3.3Å; K110-I112 PolarHBondContact O-N 2.92Å; I112-S114 VanDerWaalsContact C-N 3.35Å; I112-S114 PolarHBondContact O-N 2.79Å; I112-A115 PolarHBondContact O-N 3.13Å; I112-A116 WeakPolarHBondContact O-CB 3.39Å; I112-A116 PolarHBondContact O-N 3Å |
| 113 | V | 95.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.1 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | V107 E109 K110 A115 A116 G117 A153 V157 | V107-V113 HydrophobicContact CG2-CG2 4.03Å; E109-V113 PolarHBondContact O-N 3.25Å; K110-V113 PolarHBondContact O-N 2.85Å; V113-A115 PolarHBondContact O-N 3.45Å; V113-A116 WeakPolarHBondContact O-CB 3.39Å; V113-A116 PolarHBondContact O-N 3.1Å; V113-G117 PolarHBondContact O-N 3.41Å; V113-A153 HydrophobicContact CG1-CB 3.89Å; V113-A153 WeakPolarHBondContact CG1-O 3.34Å; V113-A153 HydrophobicContact CG2-CB 4.03Å; V113-V157 HydrophobicContact CG1-CG2 3.86Å |
| 114 | S | 94.8 | Very high | 94.7 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 39% | 0.392 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 112 | K110 I112 A116 G117 V118 | K110-S114 WeakPolarHBondContact O-CB 3.47Å; K110-S114 PolarHBondContact O-N 3.28Å; I112-S114 VanDerWaalsContact C-N 3.35Å; I112-S114 PolarHBondContact O-N 2.79Å; S114-A116 VanDerWaalsContact C-N 3.3Å; S114-A116 PolarHBondContact O-N 3.33Å; S114-G117 PolarHBondContact O-N 3.05Å; S114-V118 WeakPolarHBondContact O-CG2 3.29Å; S114-V118 PolarHBondContact O-N 2.78Å |
| 115 | A | 95.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M60 A72 G111 I112 V113 V118 L119 | M60-A115 HydrophobicContact CE-CB 4.2Å; M60-A115 HydrophobicContact SD-CB 4.26Å; A72-A115 HydrophobicContact CB-CB 4.47Å; G111-A115 WeakPolarHBondContact O-CB 3.49Å; G111-A115 PolarHBondContact O-N 2.81Å; G111-A115 VanDerWaalsContact O-N 3.12Å; I112-A115 PolarHBondContact O-N 3.13Å; V113-A115 PolarHBondContact O-N 3.45Å; A115-V118 PolarHBondContact O-N 3.48Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 2.69Å |
| 116 | A | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M60 A104 I112 V113 S114 V118 L119 I120 | M60-A116 HydrophobicContact CE-CB 3.78Å; A104-A116 HydrophobicContact CB-CB 3.65Å; I112-A116 WeakPolarHBondContact O-CB 3.39Å; I112-A116 PolarHBondContact O-N 3Å; V113-A116 WeakPolarHBondContact O-CB 3.39Å; V113-A116 PolarHBondContact O-N 3.1Å; S114-A116 VanDerWaalsContact C-N 3.3Å; S114-A116 PolarHBondContact O-N 3.33Å; A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 2.8Å; A116-L119 PolarHBondContact O-N 3.4Å; A116-I120 WeakPolarHBondContact O-CB 3.45Å; A116-I120 WeakPolarHBondContact O-CD1 3.33Å; A116-I120 WeakPolarHBondContact O-CG1 3.47Å; A116-I120 PolarHBondContact O-N 2.89Å |
| 117 | G | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V113 S114 L119 I120 T121 | V113-G117 PolarHBondContact O-N 3.41Å; S114-G117 PolarHBondContact O-N 3.05Å; G117-L119 PolarHBondContact O-N 3.26Å; G117-I120 PolarHBondContact O-N 3.04Å; G117-T121 PolarHBondContact O-N 3.44Å; G117-T121 PolarHBondContact O-OG1 3.43Å |
| 118 | V | 96.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 35.8 Ų | 35.8 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | K79 S114 A115 A116 T121 T122 | K79-V118 HydrophobicContact CB-CG1 4.47Å; K79-V118 HydrophobicContact CD-CG1 3.51Å; K79-V118 HydrophobicContact CG-CG1 3.93Å; S114-V118 WeakPolarHBondContact O-CG2 3.29Å; S114-V118 PolarHBondContact O-N 2.78Å; A115-V118 PolarHBondContact O-N 3.48Å; A116-V118 VanDerWaalsContact C-N 3.34Å; A116-V118 PolarHBondContact O-N 2.8Å; V118-T121 PolarHBondContact O-OG1 2.96Å; V118-T122 WeakPolarHBondContact O-CB 3.46Å; V118-T122 PolarHBondContact O-N 2.98Å; V118-T122 VanDerWaalsContact O-N 3.11Å; V118-T122 PolarHBondContact O-OG1 3.49Å |
| 119 | L | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 176 | -71.6 | 174.4 | 0 | 0 | 0 | 111.6 | M60 G75 L78 K79 I82 A115 A116 G117 T122 I123 | M60-L119 HydrophobicContact CE-CD1 4.01Å; M60-L119 HydrophobicContact SD-CD1 3.59Å; M60-L119 VanDerWaalsContact SD-CD1 3.59Å; G75-L119 WeakPolarHBondContact O-CD2 3.22Å; L78-L119 HydrophobicContact CB-CD2 4Å; L78-L119 HydrophobicContact CD2-CD1 3.87Å; L78-L119 HydrophobicContact CD2-CD2 4.01Å; L78-L119 HydrophobicContact CG-CD2 3.81Å; K79-L119 HydrophobicContact CB-CD2 4.23Å; I82-L119 HydrophobicContact CD1-CD2 3.76Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 2.69Å; A116-L119 PolarHBondContact O-N 3.4Å; G117-L119 PolarHBondContact O-N 3.26Å; L119-T122 PolarHBondContact O-N 3.5Å; L119-I123 WeakPolarHBondContact O-CD1 3.44Å; L119-I123 WeakPolarHBondContact O-CG1 3.19Å; L119-I123 PolarHBondContact O-N 3.36Å |
| 120 | I | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -51.4 | 178.8 | -73.1 | 161.2 | 0 | 0 | 0 | 110.6 | C101 I105 A116 G117 T122 I123 I124 W132 L135 V157 I161 | C101-I120 HydrophobicContact CB-CD1 4.34Å; C101-I120 HydrophobicContact CB-CG1 3.98Å; I105-I120 HydrophobicContact CD1-CD1 3.56Å; I105-I120 HydrophobicContact CG1-CD1 4.14Å; A116-I120 WeakPolarHBondContact O-CB 3.45Å; A116-I120 WeakPolarHBondContact O-CD1 3.33Å; A116-I120 WeakPolarHBondContact O-CG1 3.47Å; A116-I120 PolarHBondContact O-N 2.89Å; G117-I120 PolarHBondContact O-N 3.04Å; I120-T122 VanDerWaalsContact C-N 3.32Å; I120-T122 PolarHBondContact O-N 3.01Å; I120-I123 PolarHBondContact O-N 2.87Å; I120-I124 HydrophobicContact CG2-CD1 3.97Å; I120-I124 WeakPolarHBondContact O-CG1 3.46Å; I120-I124 PolarHBondContact O-N 3.22Å; I120-W132 HydrophobicContact CB-CZ3 4.47Å; I120-W132 HydrophobicContact CG1-CH2 3.86Å; I120-W132 HydrophobicContact CG1-CZ3 4.18Å; I120-W132 HydrophobicContact CG2-CZ3 4.33Å; I120-L135 HydrophobicContact CD1-CD1 4.29Å; I120-L135 HydrophobicContact CG2-CD1 4.02Å; I120-L135 HydrophobicContact CG2-CD2 3.55Å; I120-L135 HydrophobicContact CG2-CG 4.44Å; I120-V157 HydrophobicContact CD1-CG1 3.77Å; I120-I161 HydrophobicContact CG2-CD1 4.08Å; I120-I161 HydrophobicContact CG2-CG1 4.26Å |
| 121 | T | 94.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 179.5 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | G117 V118 I123 I124 A125 K160 I161 D164 | G117-T121 PolarHBondContact O-N 3.44Å; G117-T121 PolarHBondContact O-OG1 3.43Å; V118-T121 PolarHBondContact O-OG1 2.96Å; T121-I123 VanDerWaalsContact C-N 3.32Å; T121-I123 PolarHBondContact O-N 3.41Å; T121-I124 PolarHBondContact O-N 2.85Å; T121-A125 WeakPolarHBondContact O-CB 3.32Å; T121-A125 PolarHBondContact O-N 3.1Å; T121-K160 HydrophobicContact CG2-CB 3.74Å; T121-I161 HydrophobicContact CG2-CG1 4.43Å; T121-D164 WeakPolarHBondContact CB-OD2 3.41Å; T121-D164 VanDerWaalsContact CG2-OD2 3.31Å; T121-D164 WeakPolarHBondContact CG2-OD2 3.49Å |
| 122 | T | 96.1 | Very high | 94 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -38 | 174.2 | -55.5 | 0 | 0 | 0 | 0 | 112 | K79 I82 R83 V118 L119 I120 C126 | K79-T122 HydrophobicContact CG-CG2 4.03Å; K79-T122 WeakPolarHBondContact CG-OG1 3.19Å; I82-T122 HydrophobicContact CB-CG2 4.22Å; I82-T122 HydrophobicContact CG2-CG2 3.84Å; R83-T122 HydrophobicContact CB-CG2 4.18Å; V118-T122 WeakPolarHBondContact O-CB 3.46Å; V118-T122 PolarHBondContact O-N 2.98Å; V118-T122 VanDerWaalsContact O-N 3.11Å; V118-T122 PolarHBondContact O-OG1 3.49Å; L119-T122 PolarHBondContact O-N 3.5Å; I120-T122 VanDerWaalsContact C-N 3.32Å; I120-T122 PolarHBondContact O-N 3.01Å; T122-C126 PolarHBondContact O-N 2.93Å; T122-C126 PolarHBondContact O-SG 3.44Å |
| 123 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -47.4 | 175.1 | -69.5 | 163.2 | 0 | 0 | 0 | 110.3 | I82 W86 I97 L119 I120 T121 A125 C126 E127 W132 | I82-I123 HydrophobicContact CD1-CD1 4.09Å; I82-I123 HydrophobicContact CD1-CG1 3.84Å; I82-I123 HydrophobicContact CG2-CG1 4.01Å; W86-I123 HydrophobicContact CH2-CD1 4.02Å; W86-I123 HydrophobicContact CH2-CG1 3.87Å; W86-I123 HydrophobicContact CH2-CG2 4.05Å; W86-I123 HydrophobicContact CZ2-CG1 4.23Å; W86-I123 HydrophobicContact CZ2-CG2 3.63Å; W86-I123 HydrophobicContact CZ3-CD1 4.38Å; W86-I123 HydrophobicContact CZ3-CG1 4.07Å; I97-I123 HydrophobicContact CG2-CD1 3.99Å; L119-I123 WeakPolarHBondContact O-CD1 3.44Å; L119-I123 WeakPolarHBondContact O-CG1 3.19Å; L119-I123 PolarHBondContact O-N 3.36Å; I120-I123 PolarHBondContact O-N 2.87Å; T121-I123 VanDerWaalsContact C-N 3.32Å; T121-I123 PolarHBondContact O-N 3.41Å; I123-A125 VanDerWaalsContact C-N 3.26Å; I123-A125 PolarHBondContact O-N 3.49Å; I123-C126 WeakPolarHBondContact O-CA 3.22Å; I123-C126 WeakPolarHBondContact O-CB 3.37Å; I123-C126 PolarHBondContact O-N 3.48Å; I123-E127 HydrophobicContact CG2-CG 4.05Å; I123-E127 VanDerWaalsContact CG2-OE1 3.3Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.43Å; I123-E127 WeakPolarHBondContact O-CG 3.38Å; I123-E127 PolarHBondContact O-N 3.22Å; I123-W132 HydrophobicContact CB-CE3 4.36Å; I123-W132 HydrophobicContact CB-CZ3 3.95Å; I123-W132 HydrophobicContact CD1-CH2 4.13Å; I123-W132 HydrophobicContact CD1-CZ3 3.79Å; I123-W132 HydrophobicContact CG1-CZ3 4.49Å; I123-W132 HydrophobicContact CG2-CE3 3.7Å; I123-W132 HydrophobicContact CG2-CZ3 3.73Å |
| 124 | I | 94.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.4 | -43.8 | 177.6 | -64.8 | 165.4 | 0 | 0 | 0 | 110.5 | I120 T121 C126 E127 K128 L129 L135 I161 Y168 | I120-I124 HydrophobicContact CG2-CD1 3.97Å; I120-I124 WeakPolarHBondContact O-CG1 3.46Å; I120-I124 PolarHBondContact O-N 3.22Å; T121-I124 PolarHBondContact O-N 2.85Å; I124-C126 PolarHBondContact O-N 2.97Å; I124-E127 PolarHBondContact O-N 3.08Å; I124-K128 WeakPolarHBondContact O-CA 3.48Å; I124-K128 PolarHBondContact O-N 3.37Å; I124-L129 HydrophobicContact CD1-CD1 4.05Å; I124-L129 HydrophobicContact CG1-CD1 4.17Å; I124-L129 HydrophobicContact CG2-CB 4.17Å; I124-L135 HydrophobicContact CD1-CD2 3.8Å; I124-L135 HydrophobicContact CG1-CD2 4.33Å; I124-I161 HydrophobicContact CD1-CG1 4.39Å; I124-Y168 HydrophobicContact CG2-CD1 4.21Å; I124-Y168 HydrophobicContact CG2-CE1 3.58Å; I124-Y168 HydrophobicContact CG2-CE2 4.23Å |
| 125 | A | 91.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 30.3 Ų | 30.3 | 72% | 0.719 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62.1 | -26.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T121 I123 | T121-A125 WeakPolarHBondContact O-CB 3.32Å; T121-A125 PolarHBondContact O-N 3.1Å; I123-A125 VanDerWaalsContact C-N 3.26Å; I123-A125 PolarHBondContact O-N 3.49Å |
| 126 | C | 92.6 | Very high | 93.4 | Very high | 41 Ų | 41 | 31.1 Ų | 31.1 | 28% | 0.277 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -87 | -36.6 | 179.4 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | W86 T122 I123 I124 | W86-C126 HydrophobicContact CB-CB 3.93Å; W86-C126 HydrophobicContact CG-CB 3.78Å; T122-C126 PolarHBondContact O-N 2.93Å; T122-C126 PolarHBondContact O-SG 3.44Å; I123-C126 WeakPolarHBondContact O-CA 3.22Å; I123-C126 WeakPolarHBondContact O-CB 3.37Å; I123-C126 PolarHBondContact O-N 3.48Å; I124-C126 PolarHBondContact O-N 2.97Å |
| 127 | E | 91.5 | Very high | 93.3 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -127.1 | 2.3 | -171.8 | 70.5 | -177.2 | -174.3 | 0 | 0 | 116 | W86 R98 I123 I124 C131 | W86-E127 WeakPolarHBondContact CZ2-OE2 3.45Å; W86-E127 PolarHBondContact NE1-OE2 3.43Å; R98-E127 IonicContact CZ-OE1 2.74Å; R98-E127 IonicContact CZ-OE2 3.41Å; R98-E127 IonicContact NE-OE1 3.3Å; R98-E127 PolarHBondContact NE-OE1 3.12Å; R98-E127 IonicContact NE-OE2 3.64Å; R98-E127 IonicContact NH2-OE1 3.23Å; R98-E127 PolarHBondContact NH2-OE1 3.28Å; R98-E127 IonicContact NH2-OE2 3.12Å; R98-E127 PolarHBondContact NH2-OE2 3.38Å; I123-E127 HydrophobicContact CG2-CG 4.05Å; I123-E127 VanDerWaalsContact CG2-OE1 3.3Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.43Å; I123-E127 WeakPolarHBondContact O-CG 3.38Å; I123-E127 PolarHBondContact O-N 3.22Å; I124-E127 PolarHBondContact O-N 3.08Å; E127-C131 HydrophobicContact CB-CB 4.21Å; E127-C131 HydrophobicContact CG-CB 3.94Å; E127-C131 WeakPolarHBondContact O-CB 3.41Å; E127-C131 PolarHBondContact O-SG 3.08Å |
| 128 | K | 89.9 | Confident | 93.3 | Very high | 99 Ų | 99 | 39.9 Ų | 39.9 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | trans | 67.9 | 158.1 | -173.3 | -47.7 | 174.7 | 176.1 | -171.8 | 0 | 113 | I124 C131 E169 D172 | I124-K128 WeakPolarHBondContact O-CA 3.48Å; I124-K128 PolarHBondContact O-N 3.37Å; K128-C131 PolarHBondContact O-N 3.35Å; K128-E169 WeakPolarHBondContact CD-OE2 3.48Å; K128-E169 VanDerWaalsContact CE-CD 3.49Å; K128-E169 VanDerWaalsContact CE-OE1 3.26Å; K128-E169 WeakPolarHBondContact CE-OE1 3.44Å; K128-E169 WeakPolarHBondContact CE-OE2 3.23Å; K128-E169 IonicContact NZ-OE1 2.72Å; K128-E169 PolarHBondContact NZ-OE1 2.87Å; K128-E169 IonicContact NZ-OE2 3.94Å; K128-E169 PolarHBondContact NZ-OE2 3.41Å; K128-D172 WeakPolarHBondContact CB-OD2 3.31Å | ||
| 129 | L | 89.3 | Confident | 93.2 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -71.3 | -33.8 | -175.2 | -178.3 | 66.5 | 0 | 0 | 0 | 111.9 | I124 C131 W132 L135 I136 D172 V176 | I124-L129 HydrophobicContact CD1-CD1 4.05Å; I124-L129 HydrophobicContact CG1-CD1 4.17Å; I124-L129 HydrophobicContact CG2-CB 4.17Å; L129-C131 PolarHBondContact O-N 3.31Å; L129-W132 CarbonylContact O-C 3.56Å; L129-W132 PolarHBondContact O-N 3.34Å; L129-L135 HydrophobicContact CD1-CD2 3.88Å; L129-I136 HydrophobicContact CD1-CG1 4.4Å; L129-I136 HydrophobicContact CD2-CD1 4.29Å; L129-I136 HydrophobicContact CD2-CG1 4.21Å; L129-D172 HydrophobicContact CB-CB 4.22Å; L129-D172 WeakPolarHBondContact CB-OD2 3.47Å; L129-D172 PolarHBondContact N-OD2 3.36Å; L129-V176 HydrophobicContact CD2-CG2 3.08Å |
| 130 | A | 87.3 | Confident | 93.1 | Very high | 68 Ų | 68 | 40.2 Ų | 40.2 | 56% | 0.562 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -54.6 | -26.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W132 D172 | A130-W132 VanDerWaalsContact C-N 3.27Å; A130-W132 PolarHBondContact O-N 3.09Å; A130-D172 WeakPolarHBondContact CB-OD1 3.22Å; A130-D172 PolarHBondContact N-OD2 2.94Å |
| 131 | C | 90.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -77.9 | -7.8 | 176.7 | -70.1 | 0 | 0 | 0 | 0 | 113.9 | E127 K128 L129 | E127-C131 HydrophobicContact CB-CB 4.21Å; E127-C131 HydrophobicContact CG-CB 3.94Å; E127-C131 WeakPolarHBondContact O-CB 3.41Å; E127-C131 PolarHBondContact O-SG 3.08Å; K128-C131 PolarHBondContact O-N 3.35Å; L129-C131 PolarHBondContact O-N 3.31Å |
| 132 | W | 93.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | trans | -130.9 | 64 | 179.8 | -164.3 | -2.2 | 0 | 0 | 0 | 113 | R98 C101 L102 I120 I123 L129 A130 D134 L135 | R98-W132 HydrophobicContact CB-CD2 4.33Å; R98-W132 HydrophobicContact CB-CH2 3.96Å; R98-W132 HydrophobicContact CB-CZ2 3.39Å; R98-W132 HydrophobicContact CG-CD2 3.79Å; R98-W132 HydrophobicContact CG-CE3 3.99Å; R98-W132 HydrophobicContact CG-CG 4.45Å; R98-W132 HydrophobicContact CG-CH2 3.84Å; R98-W132 HydrophobicContact CG-CZ2 3.63Å; R98-W132 HydrophobicContact CG-CZ3 4.02Å; R98-W132 WeakPolarHBondContact O-CZ2 3.09Å; C101-W132 HydrophobicContact CB-CH2 4.12Å; L102-W132 HydrophobicContact CD2-CZ2 3.88Å; L102-W132 HydrophobicContact CG-CZ2 3.97Å; I120-W132 HydrophobicContact CB-CZ3 4.47Å; I120-W132 HydrophobicContact CG1-CH2 3.86Å; I120-W132 HydrophobicContact CG1-CZ3 4.18Å; I120-W132 HydrophobicContact CG2-CZ3 4.33Å; I123-W132 HydrophobicContact CB-CE3 4.36Å; I123-W132 HydrophobicContact CB-CZ3 3.95Å; I123-W132 HydrophobicContact CD1-CH2 4.13Å; I123-W132 HydrophobicContact CD1-CZ3 3.79Å; I123-W132 HydrophobicContact CG1-CZ3 4.49Å; I123-W132 HydrophobicContact CG2-CE3 3.7Å; I123-W132 HydrophobicContact CG2-CZ3 3.73Å; L129-W132 CarbonylContact O-C 3.56Å; L129-W132 PolarHBondContact O-N 3.34Å; A130-W132 VanDerWaalsContact C-N 3.27Å; A130-W132 PolarHBondContact O-N 3.09Å; W132-D134 PolarHBondContact O-N 2.71Å; W132-D134 VanDerWaalsContact O-N 3.07Å; W132-L135 HydrophobicContact CD2-CB 3.99Å; W132-L135 HydrophobicContact CD2-CD2 4.39Å; W132-L135 HydrophobicContact CE3-CD2 4.2Å; W132-L135 HydrophobicContact CG-CB 3.98Å; W132-L135 HydrophobicContact CZ2-CD1 4.43Å; W132-L135 HydrophobicContact CZ3-CD2 4.5Å; W132-L135 WeakPolarHBondContact O-CB 3.35Å; W132-L135 PolarHBondContact O-N 2.97Å; W132-L135 VanDerWaalsContact O-N 3.16Å | ||
| 133 | P | 87.5 | Confident | 93.1 | Very high | 76 Ų | 76 | 44.9 Ų | 44.9 | 49% | 0.494 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.1 | -173.3 | 27.9 | -37.2 | 0 | 0 | 0 | 114.8 | ||
| 134 | D | 93 | Very high | 93 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -79.8 | -19.7 | 179.8 | -66.1 | -32.2 | 0 | 0 | 0 | 113 | W132 H138 | W132-D134 PolarHBondContact O-N 2.71Å; W132-D134 VanDerWaalsContact O-N 3.07Å; D134-H138 VanDerWaalsContact O-CB 3.25Å; D134-H138 WeakPolarHBondContact O-CB 3.42Å; D134-H138 PolarHBondContact O-N 2.7Å |
| 135 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -55.4 | -176 | 175.5 | 61.8 | 0 | 0 | 0 | 111.8 | L102 I120 I124 L129 W132 K137 H138 M139 I161 | L102-L135 HydrophobicContact CD2-CD1 3.62Å; I120-L135 HydrophobicContact CD1-CD1 4.29Å; I120-L135 HydrophobicContact CG2-CD1 4.02Å; I120-L135 HydrophobicContact CG2-CD2 3.55Å; I120-L135 HydrophobicContact CG2-CG 4.44Å; I124-L135 HydrophobicContact CD1-CD2 3.8Å; I124-L135 HydrophobicContact CG1-CD2 4.33Å; L129-L135 HydrophobicContact CD1-CD2 3.88Å; W132-L135 HydrophobicContact CD2-CB 3.99Å; W132-L135 HydrophobicContact CD2-CD2 4.39Å; W132-L135 HydrophobicContact CE3-CD2 4.2Å; W132-L135 HydrophobicContact CG-CB 3.98Å; W132-L135 HydrophobicContact CZ2-CD1 4.43Å; W132-L135 HydrophobicContact CZ3-CD2 4.5Å; W132-L135 WeakPolarHBondContact O-CB 3.35Å; W132-L135 PolarHBondContact O-N 2.97Å; W132-L135 VanDerWaalsContact O-N 3.16Å; L135-K137 VanDerWaalsContact C-N 3.35Å; L135-K137 PolarHBondContact O-N 2.92Å; L135-H138 WeakPolarHBondContact O-CB 3.35Å; L135-H138 PolarHBondContact O-N 2.91Å; L135-H138 VanDerWaalsContact O-N 3.15Å; L135-M139 HydrophobicContact CD1-CE 4.19Å; L135-M139 WeakPolarHBondContact O-CG 3.46Å; L135-M139 PolarHBondContact O-N 3.27Å; L135-I161 HydrophobicContact CD2-CD1 4.25Å |
| 136 | I | 93.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | -179.2 | -60.6 | -59.7 | 0 | 0 | 0 | 110.6 | L129 H138 M139 L140 A179 L180 | L129-I136 HydrophobicContact CD1-CG1 4.4Å; L129-I136 HydrophobicContact CD2-CD1 4.29Å; L129-I136 HydrophobicContact CD2-CG1 4.21Å; I136-H138 VanDerWaalsContact C-N 3.28Å; I136-H138 PolarHBondContact O-N 2.93Å; I136-M139 WeakPolarHBondContact O-CB 3.4Å; I136-M139 PolarHBondContact O-N 3.28Å; I136-M139 VanDerWaalsContact O-N 3.16Å; I136-L140 HydrophobicContact CG2-CD1 4.17Å; I136-L140 HydrophobicContact CG2-CG 4.34Å; I136-L140 WeakPolarHBondContact O-CG 3.25Å; I136-L140 PolarHBondContact O-N 3.06Å; I136-A179 HydrophobicContact CG2-CB 3.6Å; I136-L180 HydrophobicContact CD1-CD1 4.24Å; I136-L180 HydrophobicContact CD1-CD2 4.36Å; I136-L180 HydrophobicContact CD1-CG 4.37Å; I136-L180 HydrophobicContact CG2-CD2 4.16Å |
| 137 | K | 94.4 | Very high | 92.8 | Very high | 129 Ų | 129 | 53.9 Ų | 53.9 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.8 | -41 | 175.5 | -66 | 176.3 | -172.5 | 166.1 | 0 | 111.9 | L135 N141 | L135-K137 VanDerWaalsContact C-N 3.35Å; L135-K137 PolarHBondContact O-N 2.92Å; K137-N141 VanDerWaalsContact O-CG 3.22Å; K137-N141 PolarHBondContact O-N 3.02Å; K137-N141 PolarHBondContact O-ND2 3.25Å |
| 138 | H | 96 | Very high | 93 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.6 | -166.6 | 79.5 | 0 | 0 | 0 | 111.5 | L102 D134 L135 I136 N141 I142 | L102-H138 HydrophobicContact CD1-CB 4.34Å; L102-H138 HydrophobicContact CD2-CB 4.03Å; L102-H138 PolarHBondContact O-NE2 2.93Å; D134-H138 VanDerWaalsContact O-CB 3.25Å; D134-H138 WeakPolarHBondContact O-CB 3.42Å; D134-H138 PolarHBondContact O-N 2.7Å; L135-H138 WeakPolarHBondContact O-CB 3.35Å; L135-H138 PolarHBondContact O-N 2.91Å; L135-H138 VanDerWaalsContact O-N 3.15Å; I136-H138 VanDerWaalsContact C-N 3.28Å; I136-H138 PolarHBondContact O-N 2.93Å; H138-N141 PolarHBondContact O-N 3.14Å; H138-I142 WeakPolarHBondContact O-CG1 3.39Å; H138-I142 PolarHBondContact O-N 3.49Å; H138-I142 VanDerWaalsContact O-N 3.09Å |
| 139 | M | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 175.8 | -69.3 | -54.2 | 98.9 | 0 | 0 | 111.2 | I105 L135 I136 N141 I142 L143 V157 L158 | I105-M139 HydrophobicContact CD1-CE 3.14Å; I105-M139 HydrophobicContact CD1-SD 4.29Å; I105-M139 HydrophobicContact CG1-CE 4.31Å; I105-M139 HydrophobicContact CG2-CE 4.17Å; L135-M139 HydrophobicContact CD1-CE 4.19Å; L135-M139 WeakPolarHBondContact O-CG 3.46Å; L135-M139 PolarHBondContact O-N 3.27Å; I136-M139 WeakPolarHBondContact O-CB 3.4Å; I136-M139 PolarHBondContact O-N 3.28Å; I136-M139 VanDerWaalsContact O-N 3.16Å; M139-N141 VanDerWaalsContact C-N 3.29Å; M139-N141 PolarHBondContact O-N 3.31Å; M139-I142 HydrophobicContact CE-CD1 4.1Å; M139-I142 WeakPolarHBondContact O-CB 3.32Å; M139-I142 PolarHBondContact O-N 3.25Å; M139-L143 WeakPolarHBondContact O-CG 3.3Å; M139-L143 PolarHBondContact O-N 3.31Å; M139-V157 HydrophobicContact SD-CG1 4.4Å; M139-L158 HydrophobicContact CB-CD2 3.92Å; M139-L158 HydrophobicContact CG-CD2 3.75Å; M139-L158 HydrophobicContact CG-CG 4.47Å; M139-L158 HydrophobicContact SD-CD2 4.25Å; M139-L158 HydrophobicContact SD-CG 4.37Å |
| 140 | L | 95.5 | Very high | 93.2 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 178.8 | -66.6 | -179.6 | 0 | 0 | 0 | 112.4 | I136 I142 L143 N144 L180 N183 | I136-L140 HydrophobicContact CG2-CD1 4.17Å; I136-L140 HydrophobicContact CG2-CG 4.34Å; I136-L140 WeakPolarHBondContact O-CG 3.25Å; I136-L140 PolarHBondContact O-N 3.06Å; L140-I142 VanDerWaalsContact C-N 3.34Å; L140-I142 PolarHBondContact O-N 3.49Å; L140-L143 HydrophobicContact CD2-CD1 4.38Å; L140-L143 PolarHBondContact O-N 2.92Å; L140-N144 PolarHBondContact O-N 3.46Å; L140-N144 PolarHBondContact O-ND2 2.98Å; L140-L180 HydrophobicContact CD2-CD2 4.09Å; L140-N183 HydrophobicContact CD2-CB 3.55Å |
| 141 | N | 96.3 | Very high | 93.7 | Very high | 110 Ų | 110 | 56.5 Ų | 56.5 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.7 | -39.8 | 174.4 | -73.3 | -26 | 0 | 0 | 0 | 111.9 | K137 H138 M139 N144 | K137-N141 VanDerWaalsContact O-CG 3.22Å; K137-N141 PolarHBondContact O-N 3.02Å; K137-N141 PolarHBondContact O-ND2 3.25Å; H138-N141 PolarHBondContact O-N 3.14Å; M139-N141 VanDerWaalsContact C-N 3.29Å; M139-N141 PolarHBondContact O-N 3.31Å; N141-N144 PolarHBondContact O-N 2.91Å |
| 142 | I | 95.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 177.5 | -67 | 169 | 0 | 0 | 0 | 111.1 | I105 H138 M139 L140 N144 T145 I150 A154 | I105-I142 HydrophobicContact CB-CD1 4.23Å; I105-I142 HydrophobicContact CG2-CD1 3.71Å; H138-I142 WeakPolarHBondContact O-CG1 3.39Å; H138-I142 PolarHBondContact O-N 3.49Å; H138-I142 VanDerWaalsContact O-N 3.09Å; M139-I142 HydrophobicContact CE-CD1 4.1Å; M139-I142 WeakPolarHBondContact O-CB 3.32Å; M139-I142 PolarHBondContact O-N 3.25Å; L140-I142 VanDerWaalsContact C-N 3.34Å; L140-I142 PolarHBondContact O-N 3.49Å; I142-N144 PolarHBondContact O-N 3.35Å; I142-N144 VanDerWaalsContact O-N 3.12Å; I142-T145 WeakPolarHBondContact O-CB 3.32Å; I142-T145 VanDerWaalsContact O-CG2 3.31Å; I142-T145 WeakPolarHBondContact O-CG2 3.44Å; I142-T145 PolarHBondContact O-N 2.99Å; I142-T145 PolarHBondContact O-OG1 3.28Å; I142-I150 HydrophobicContact CG2-CG2 3.61Å; I142-A154 HydrophobicContact CB-CB 4.18Å; I142-A154 HydrophobicContact CD1-CB 4.44Å; I142-A154 HydrophobicContact CG2-CB 3.51Å |
| 143 | L | 95.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.3 | -28.4 | 177.1 | -64.5 | -175.8 | 0 | 0 | 0 | 112.4 | M139 L140 I151 F155 L158 N183 F187 | M139-L143 WeakPolarHBondContact O-CG 3.3Å; M139-L143 PolarHBondContact O-N 3.31Å; L140-L143 HydrophobicContact CD2-CD1 4.38Å; L140-L143 PolarHBondContact O-N 2.92Å; L143-I151 HydrophobicContact CD2-CG2 3.98Å; L143-F155 HydrophobicContact CD2-CD2 4.09Å; L143-F155 HydrophobicContact CD2-CE2 3.72Å; L143-F155 HydrophobicContact CD2-CZ 4.23Å; L143-L158 HydrophobicContact CD1-CD1 4.09Å; L143-L158 HydrophobicContact CD2-CD1 3.99Å; L143-L158 HydrophobicContact CG-CD1 4.36Å; L143-N183 HydrophobicContact CD1-CB 4.41Å; L143-F187 HydrophobicContact CB-CE2 4.17Å; L143-F187 HydrophobicContact CB-CZ 4.19Å; L143-F187 HydrophobicContact CD1-CE2 4.42Å; L143-F187 HydrophobicContact CD2-CE2 4.29Å; L143-F187 HydrophobicContact CD2-CZ 4.35Å |
| 144 | N | 94.5 | Very high | 94.3 | Very high | 121 Ų | 121 | 52.2 Ų | 52.2 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 1.3 | 179.2 | -72.4 | -57.8 | 0 | 0 | 0 | 114.9 | L140 N141 I142 G146 | L140-N144 PolarHBondContact O-N 3.46Å; L140-N144 PolarHBondContact O-ND2 2.98Å; N141-N144 PolarHBondContact O-N 2.91Å; I142-N144 PolarHBondContact O-N 3.35Å; I142-N144 VanDerWaalsContact O-N 3.12Å; N144-G146 VanDerWaalsContact C-N 3.29Å; N144-G146 PolarHBondContact O-N 2.96Å |
| 145 | T | 92.9 | Very high | 94.4 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.5 | -177.4 | 58.3 | 0 | 0 | 0 | 0 | 114 | I142 N147 | I142-T145 WeakPolarHBondContact O-CB 3.32Å; I142-T145 VanDerWaalsContact O-CG2 3.31Å; I142-T145 WeakPolarHBondContact O-CG2 3.44Å; I142-T145 PolarHBondContact O-N 2.99Å; I142-T145 PolarHBondContact O-OG1 3.28Å; T145-N147 PolarHBondContact O-N 2.88Å; T145-N147 PolarHBondContact OG1-N 3.45Å |
| 146 | G | 89.5 | Confident | 94.3 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 63% | 0.629 | 27% | 0.274 | S | S | * | . | trans | 69.5 | -1.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N144 V148 | N144-G146 VanDerWaalsContact C-N 3.29Å; N144-G146 PolarHBondContact O-N 2.96Å; G146-V148 PolarHBondContact O-N 3.25Å | ||
| 147 | N | 93.2 | Very high | 94.4 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -85.4 | 105.7 | 176 | -175.9 | -29.8 | 0 | 0 | 0 | 109.9 | T145 E149 I150 I151 | T145-N147 PolarHBondContact O-N 2.88Å; T145-N147 PolarHBondContact OG1-N 3.45Å; N147-E149 VanDerWaalsContact C-N 3.28Å; N147-E149 PolarHBondContact O-N 3.25Å; N147-E149 PolarHBondContact OD1-N 3.23Å; N147-E149 VanDerWaalsContact OD1-N 3.08Å; N147-I150 HydrophobicContact CB-CB 4.18Å; N147-I150 HydrophobicContact CB-CD1 3.98Å; N147-I150 HydrophobicContact CB-CG1 4.1Å; N147-I150 WeakPolarHBondContact ND2-CD1 3.41Å; N147-I150 PolarHBondContact O-N 2.87Å; N147-I150 PolarHBondContact OD1-N 3.38Å; N147-I151 WeakPolarHBondContact O-CB 3.24Å; N147-I151 WeakPolarHBondContact O-CD1 3.41Å; N147-I151 WeakPolarHBondContact O-CG1 3.32Å; N147-I151 PolarHBondContact O-N 2.89Å | ||
| 148 | V | 93.7 | Very high | 94.5 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 32% | 0.315 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.9 | -40.5 | -176.1 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | G146 I151 Q152 L195 | G146-V148 PolarHBondContact O-N 3.25Å; V148-I151 PolarHBondContact O-N 3.39Å; V148-Q152 HydrophobicContact CG1-CG 4.4Å; V148-Q152 WeakPolarHBondContact O-CB 3.05Å; V148-Q152 VanDerWaalsContact O-CG 3.24Å; V148-Q152 WeakPolarHBondContact O-CG 3.35Å; V148-Q152 PolarHBondContact O-N 3.35Å; V148-L195 HydrophobicContact CG1-CD1 3.92Å; V148-L195 HydrophobicContact CG1-CG 4.43Å; V148-L195 HydrophobicContact CG2-CD1 4.47Å |
| 149 | E | 92 | Very high | 94.5 | Very high | 149 Ų | 149 | 41.7 Ų | 41.7 | 70% | 0.696 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.5 | -43.4 | -178 | -64.3 | -179.7 | 172.6 | 0 | 0 | 111.7 | N147 I151 Q152 A153 | N147-E149 VanDerWaalsContact C-N 3.28Å; N147-E149 PolarHBondContact O-N 3.25Å; N147-E149 PolarHBondContact OD1-N 3.23Å; N147-E149 VanDerWaalsContact OD1-N 3.08Å; E149-I151 VanDerWaalsContact C-N 3.35Å; E149-Q152 PolarHBondContact O-N 2.94Å; E149-A153 PolarHBondContact O-N 3.48Å |
| 150 | I | 93 | Very high | 94.5 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 177.6 | -57.7 | 178.7 | 0 | 0 | 0 | 110.2 | I142 N147 A153 A154 | I142-I150 HydrophobicContact CG2-CG2 3.61Å; N147-I150 HydrophobicContact CB-CB 4.18Å; N147-I150 HydrophobicContact CB-CD1 3.98Å; N147-I150 HydrophobicContact CB-CG1 4.1Å; N147-I150 WeakPolarHBondContact ND2-CD1 3.41Å; N147-I150 PolarHBondContact O-N 2.87Å; N147-I150 PolarHBondContact OD1-N 3.38Å; I150-A153 WeakPolarHBondContact O-CB 3.48Å; I150-A153 PolarHBondContact O-N 3.48Å; I150-A154 PolarHBondContact O-N 3.01Å |
| 151 | I | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -43.4 | 176.7 | -66.3 | 167.4 | 0 | 0 | 0 | 110.5 | L143 N147 V148 E149 A153 A154 F155 F187 L195 | L143-I151 HydrophobicContact CD2-CG2 3.98Å; N147-I151 WeakPolarHBondContact O-CB 3.24Å; N147-I151 WeakPolarHBondContact O-CD1 3.41Å; N147-I151 WeakPolarHBondContact O-CG1 3.32Å; N147-I151 PolarHBondContact O-N 2.89Å; V148-I151 PolarHBondContact O-N 3.39Å; E149-I151 VanDerWaalsContact C-N 3.35Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.86Å; I151-A154 PolarHBondContact O-N 2.88Å; I151-F155 HydrophobicContact CG2-CD2 3.71Å; I151-F155 HydrophobicContact CG2-CE2 3.75Å; I151-F155 WeakPolarHBondContact O-CD2 3.34Å; I151-F155 PolarHBondContact O-N 2.83Å; I151-F187 HydrophobicContact CD1-CE1 4.32Å; I151-F187 HydrophobicContact CG2-CD1 4.41Å; I151-F187 HydrophobicContact CG2-CE1 3.74Å; I151-F187 HydrophobicContact CG2-CZ 4.11Å; I151-L195 HydrophobicContact CB-CD2 4.35Å; I151-L195 HydrophobicContact CG2-CD1 4.12Å; I151-L195 HydrophobicContact CG2-CD2 3.65Å |
| 152 | Q | 94.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 174.7 | -76.8 | 175.6 | 2.9 | 0 | 0 | 111.8 | V148 E149 F155 S156 S192 T194 L195 L198 | V148-Q152 HydrophobicContact CG1-CG 4.4Å; V148-Q152 WeakPolarHBondContact O-CB 3.05Å; V148-Q152 VanDerWaalsContact O-CG 3.24Å; V148-Q152 WeakPolarHBondContact O-CG 3.35Å; V148-Q152 PolarHBondContact O-N 3.35Å; E149-Q152 PolarHBondContact O-N 2.94Å; Q152-F155 PolarHBondContact O-N 3.01Å; Q152-S156 PolarHBondContact O-N 2.68Å; Q152-S156 VanDerWaalsContact O-N 3.12Å; Q152-S192 PolarHBondContact NE2-OG 2.88Å; Q152-T194 HydrophobicContact CG-CG2 4.12Å; Q152-L195 HydrophobicContact CB-CD2 4.3Å; Q152-L195 HydrophobicContact CG-CD2 3.49Å; Q152-L195 VanDerWaalsContact CG-CD2 3.49Å; Q152-L195 HydrophobicContact CG-CG 3.95Å; Q152-L198 HydrophobicContact CB-CD1 4.45Å; Q152-L198 HydrophobicContact CG-CD1 4.43Å |
| 153 | A | 93.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V113 E149 I150 I151 F155 S156 V157 | V113-A153 HydrophobicContact CG1-CB 3.89Å; V113-A153 WeakPolarHBondContact CG1-O 3.34Å; V113-A153 HydrophobicContact CG2-CB 4.03Å; E149-A153 PolarHBondContact O-N 3.48Å; I150-A153 WeakPolarHBondContact O-CB 3.48Å; I150-A153 PolarHBondContact O-N 3.48Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.86Å; A153-F155 VanDerWaalsContact C-N 3.34Å; A153-F155 PolarHBondContact O-N 2.84Å; A153-S156 PolarHBondContact O-N 3.29Å; A153-S156 PolarHBondContact O-OG 3.24Å; A153-V157 PolarHBondContact O-N 3.32Å |
| 154 | A | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I105 I142 I150 I151 S156 V157 L158 | I105-A154 HydrophobicContact CG2-CB 4.09Å; I142-A154 HydrophobicContact CB-CB 4.18Å; I142-A154 HydrophobicContact CD1-CB 4.44Å; I142-A154 HydrophobicContact CG2-CB 3.51Å; I150-A154 PolarHBondContact O-N 3.01Å; I151-A154 PolarHBondContact O-N 2.88Å; A154-S156 VanDerWaalsContact C-N 3.31Å; A154-S156 PolarHBondContact O-N 3.37Å; A154-V157 WeakPolarHBondContact O-CB 3.36Å; A154-V157 PolarHBondContact O-N 3.15Å; A154-L158 WeakPolarHBondContact O-CG 3.26Å; A154-L158 PolarHBondContact O-N 3.28Å |
| 155 | F | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -38 | 175.8 | -97.2 | -71.8 | 0 | 0 | 0 | 113.1 | L143 I151 Q152 A153 V157 L158 E159 I184 F187 L195 L198 A199 | L143-F155 HydrophobicContact CD2-CD2 4.09Å; L143-F155 HydrophobicContact CD2-CE2 3.72Å; L143-F155 HydrophobicContact CD2-CZ 4.23Å; I151-F155 HydrophobicContact CG2-CD2 3.71Å; I151-F155 HydrophobicContact CG2-CE2 3.75Å; I151-F155 WeakPolarHBondContact O-CD2 3.34Å; I151-F155 PolarHBondContact O-N 2.83Å; Q152-F155 PolarHBondContact O-N 3.01Å; A153-F155 VanDerWaalsContact C-N 3.34Å; A153-F155 PolarHBondContact O-N 2.84Å; F155-V157 PolarHBondContact O-N 3.27Å; F155-L158 HydrophobicContact CD1-CD1 4.28Å; F155-L158 HydrophobicContact CE1-CD1 4.46Å; F155-L158 PolarHBondContact O-N 3.46Å; F155-E159 WeakPolarHBondContact O-CB 3.48Å; F155-E159 PolarHBondContact O-N 2.96Å; F155-I184 HydrophobicContact CE1-CB 4.47Å; F155-I184 HydrophobicContact CE1-CD1 4.46Å; F155-I184 HydrophobicContact CE1-CG1 4.02Å; F155-I184 HydrophobicContact CE1-CG2 3.91Å; F155-I184 HydrophobicContact CZ-CG1 4.31Å; F155-I184 HydrophobicContact CZ-CG2 4.28Å; F155-F187 HydrophobicContact CE2-CB 4.24Å; F155-F187 AromaticContact CE2-CD1 3.96Å; F155-F187 HydrophobicContact CE2-CD1 3.96Å; F155-F187 AromaticContact CE2-CD2 4Å; F155-F187 HydrophobicContact CE2-CD2 4Å; F155-F187 HydrophobicContact CE2-CE1 4.3Å; F155-F187 HydrophobicContact CE2-CE2 4.33Å; F155-F187 AromaticContact CE2-CG 3.8Å; F155-F187 HydrophobicContact CE2-CG 3.8Å; F155-F187 HydrophobicContact CE2-CZ 4.47Å; F155-F187 HydrophobicContact CZ-CB 3.92Å; F155-F187 HydrophobicContact CZ-CD1 4.41Å; F155-F187 AromaticContact CZ-CD2 3.78Å; F155-F187 HydrophobicContact CZ-CD2 3.78Å; F155-F187 HydrophobicContact CZ-CE2 4.4Å; F155-F187 AromaticContact CZ-CG 3.78Å; F155-F187 HydrophobicContact CZ-CG 3.78Å; F155-L195 HydrophobicContact CD2-CD2 3.71Å; F155-L195 HydrophobicContact CE2-CD2 4.1Å; F155-L198 HydrophobicContact CB-CB 3.78Å; F155-L198 HydrophobicContact CB-CD1 3.69Å; F155-L198 HydrophobicContact CB-CD2 4.46Å; F155-L198 HydrophobicContact CB-CG 4.18Å; F155-L198 HydrophobicContact CD1-CB 3.93Å; F155-L198 HydrophobicContact CG-CB 3.87Å; F155-L198 HydrophobicContact CG-CD1 4.46Å; F155-A199 HydrophobicContact CE1-CB 4.15Å; F155-A199 HydrophobicContact CZ-CB 4.19Å |
| 156 | S | 92.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -21.6 | 175.5 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | Q152 A153 A154 | Q152-S156 PolarHBondContact O-N 2.68Å; Q152-S156 VanDerWaalsContact O-N 3.12Å; A153-S156 PolarHBondContact O-N 3.29Å; A153-S156 PolarHBondContact O-OG 3.24Å; A154-S156 VanDerWaalsContact C-N 3.31Å; A154-S156 PolarHBondContact O-N 3.37Å |
| 157 | V | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -87.3 | -42.5 | 172.9 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | I105 V113 I120 M139 A153 A154 F155 E159 K160 I161 | I105-V157 HydrophobicContact CD1-CG1 4.5Å; I105-V157 HydrophobicContact CG1-CG2 4.31Å; I105-V157 HydrophobicContact CG2-CG2 4.38Å; V113-V157 HydrophobicContact CG1-CG2 3.86Å; I120-V157 HydrophobicContact CD1-CG1 3.77Å; M139-V157 HydrophobicContact SD-CG1 4.4Å; A153-V157 PolarHBondContact O-N 3.32Å; A154-V157 WeakPolarHBondContact O-CB 3.36Å; A154-V157 PolarHBondContact O-N 3.15Å; F155-V157 PolarHBondContact O-N 3.27Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 2.93Å; V157-K160 PolarHBondContact O-N 3.13Å; V157-I161 HydrophobicContact CG1-CD1 4.1Å; V157-I161 WeakPolarHBondContact O-CG1 3.45Å; V157-I161 PolarHBondContact O-N 2.88Å; V157-I161 VanDerWaalsContact O-N 3.17Å |
| 158 | L | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 175.6 | -72.9 | 171.8 | 0 | 0 | 0 | 111.9 | M139 L143 A154 F155 K160 I161 C162 L180 I184 | M139-L158 HydrophobicContact CB-CD2 3.92Å; M139-L158 HydrophobicContact CG-CD2 3.75Å; M139-L158 HydrophobicContact CG-CG 4.47Å; M139-L158 HydrophobicContact SD-CD2 4.25Å; M139-L158 HydrophobicContact SD-CG 4.37Å; L143-L158 HydrophobicContact CD1-CD1 4.09Å; L143-L158 HydrophobicContact CD2-CD1 3.99Å; L143-L158 HydrophobicContact CG-CD1 4.36Å; A154-L158 WeakPolarHBondContact O-CG 3.26Å; A154-L158 PolarHBondContact O-N 3.28Å; F155-L158 HydrophobicContact CD1-CD1 4.28Å; F155-L158 HydrophobicContact CE1-CD1 4.46Å; F155-L158 PolarHBondContact O-N 3.46Å; L158-K160 VanDerWaalsContact C-N 3.26Å; L158-K160 PolarHBondContact O-N 2.68Å; L158-I161 CarbonylContact O-C 3.59Å; L158-I161 PolarHBondContact O-N 3.2Å; L158-C162 WeakPolarHBondContact O-CB 3.4Å; L158-C162 PolarHBondContact O-N 3.45Å; L158-C162 PolarHBondContact O-SG 3.46Å; L158-L180 HydrophobicContact CD2-CD1 3.82Å; L158-L180 HydrophobicContact CD2-CD2 3.86Å; L158-I184 HydrophobicContact CD1-CD1 4.5Å |
| 159 | E | 95.4 | Very high | 93 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.7 | -45.3 | 176.5 | -174.9 | 179.6 | -168.8 | 0 | 0 | 111 | F155 V157 C162 E163 R201 | F155-E159 WeakPolarHBondContact O-CB 3.48Å; F155-E159 PolarHBondContact O-N 2.96Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 2.93Å; E159-C162 PolarHBondContact O-N 2.79Å; E159-E163 WeakPolarHBondContact O-CB 3.45Å; E159-E163 PolarHBondContact O-N 3.2Å; E159-R201 VanDerWaalsContact OE1-CD 3.26Å; E159-R201 WeakPolarHBondContact OE1-CD 3.4Å; E159-R201 IonicContact OE1-NH1 2.96Å |
| 160 | K | 94.7 | Very high | 92.7 | Very high | 57 Ų | 57 | 43 Ų | 43 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 177.3 | -58.6 | -171.4 | -175.1 | -44 | 0 | 112.9 | T121 V157 L158 C162 D164 | T121-K160 HydrophobicContact CG2-CB 3.74Å; V157-K160 PolarHBondContact O-N 3.13Å; L158-K160 VanDerWaalsContact C-N 3.26Å; L158-K160 PolarHBondContact O-N 2.68Å; K160-C162 VanDerWaalsContact C-N 3.31Å; K160-D164 PolarHBondContact O-N 2.9Å; K160-D164 VanDerWaalsContact O-N 3.14Å |
| 161 | I | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -38.4 | 176 | -64.3 | 168.8 | 0 | 0 | 0 | 110.3 | I120 T121 I124 L135 V157 L158 C165 Y168 | I120-I161 HydrophobicContact CG2-CD1 4.08Å; I120-I161 HydrophobicContact CG2-CG1 4.26Å; T121-I161 HydrophobicContact CG2-CG1 4.43Å; I124-I161 HydrophobicContact CD1-CG1 4.39Å; L135-I161 HydrophobicContact CD2-CD1 4.25Å; V157-I161 HydrophobicContact CG1-CD1 4.1Å; V157-I161 WeakPolarHBondContact O-CG1 3.45Å; V157-I161 PolarHBondContact O-N 2.88Å; V157-I161 VanDerWaalsContact O-N 3.17Å; L158-I161 CarbonylContact O-C 3.59Å; L158-I161 PolarHBondContact O-N 3.2Å; I161-C165 PolarHBondContact O-N 3.17Å; I161-Y168 HydrophobicContact CG2-CE2 4.44Å; I161-Y168 PolarHBondContact O-OH 2.91Å |
| 162 | C | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.2 | -39.3 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | L158 E159 K160 C165 C205 F206 | L158-C162 WeakPolarHBondContact O-CB 3.4Å; L158-C162 PolarHBondContact O-N 3.45Å; L158-C162 PolarHBondContact O-SG 3.46Å; E159-C162 PolarHBondContact O-N 2.79Å; K160-C162 VanDerWaalsContact C-N 3.31Å; C162-C165 WeakPolarHBondContact O-CB 3.47Å; C162-C165 PolarHBondContact O-N 3Å; C162-C205 HydrophobicContact CB-CB 3.59Å; C162-F206 HydrophobicContact CB-CE1 4.05Å; C162-F206 HydrophobicContact CB-CZ 4.04Å; C162-F206 WeakPolarHBondContact SG-CZ 3.32Å |
| 163 | E | 92.8 | Very high | 91.9 | Very high | 120 Ų | 120 | 46.1 Ų | 46.1 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.8 | -47.7 | 176.7 | -172.3 | 178.5 | -172.7 | 0 | 0 | 111.5 | E159 C165 | E159-E163 WeakPolarHBondContact O-CB 3.45Å; E159-E163 PolarHBondContact O-N 3.2Å; E163-C165 PolarHBondContact O-N 3.28Å |
| 164 | D | 91.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -75.8 | -5.7 | 178 | -67.8 | -11.8 | 0 | 0 | 0 | 113.1 | T121 K160 I166 D167 Y168 | T121-D164 WeakPolarHBondContact CB-OD2 3.41Å; T121-D164 VanDerWaalsContact CG2-OD2 3.31Å; T121-D164 WeakPolarHBondContact CG2-OD2 3.49Å; K160-D164 PolarHBondContact O-N 2.9Å; K160-D164 VanDerWaalsContact O-N 3.14Å; D164-I166 PolarHBondContact O-N 2.84Å; D164-D167 PolarHBondContact O-N 3.16Å; D164-Y168 HydrophobicContact CB-CE1 3.92Å; D164-Y168 VanDerWaalsContact O-CD1 3.25Å; D164-Y168 WeakPolarHBondContact O-CD1 3.26Å; D164-Y168 VanDerWaalsContact O-CE1 3.22Å; D164-Y168 WeakPolarHBondContact O-CE1 3.46Å |
| 165 | C | 89.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -62.4 | -27.5 | -174.3 | -168.1 | 0 | 0 | 0 | 0 | 112.9 | I161 C162 E163 D167 Y168 R173 F206 | I161-C165 PolarHBondContact O-N 3.17Å; C162-C165 WeakPolarHBondContact O-CB 3.47Å; C162-C165 PolarHBondContact O-N 3Å; E163-C165 PolarHBondContact O-N 3.28Å; C165-D167 PolarHBondContact O-N 2.81Å; C165-Y168 HydrophobicContact CB-CD2 4.39Å; C165-Y168 HydrophobicContact CB-CE2 4.41Å; C165-Y168 WeakPolarHBondContact O-CB 3.5Å; C165-Y168 PolarHBondContact O-N 3.46Å; C165-R173 PolarHBondContact O-NE 2.99Å; C165-F206 HydrophobicContact CB-CE1 4.4Å |
| 166 | I | 87.1 | Confident | 91.1 | Very high | 74 Ų | 74 | 51 Ų | 51 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -62.3 | -28.8 | 174.8 | -166 | 171.6 | 0 | 0 | 0 | 112.4 | D164 R173 F209 | D164-I166 PolarHBondContact O-N 2.84Å; I166-R173 PolarHBondContact O-NH2 3.28Å; I166-F209 HydrophobicContact CB-CD1 3.84Å; I166-F209 HydrophobicContact CB-CE1 4.14Å; I166-F209 HydrophobicContact CB-CG 4.43Å; I166-F209 HydrophobicContact CD1-CB 3.82Å; I166-F209 HydrophobicContact CD1-CD1 4.14Å; I166-F209 HydrophobicContact CD1-CG 4.26Å; I166-F209 HydrophobicContact CG1-CB 4.08Å; I166-F209 HydrophobicContact CG1-CD1 3.95Å; I166-F209 HydrophobicContact CG1-CG 4.08Å |
| 167 | D | 88.3 | Confident | 91.1 | Very high | 134 Ų | 134 | 49.3 Ų | 49.3 | 72% | 0.717 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -88.5 | -4.1 | -179.7 | -65.9 | -38 | 0 | 0 | 0 | 112.9 | D164 C165 | D164-D167 PolarHBondContact O-N 3.16Å; C165-D167 PolarHBondContact O-N 2.81Å |
| 168 | Y | 88.8 | Confident | 90.9 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -77.3 | 152.3 | 179.5 | -62.5 | -4.4 | 0 | 0 | 0 | 111.6 | I124 I161 D164 C165 R173 V176 | I124-Y168 HydrophobicContact CG2-CD1 4.21Å; I124-Y168 HydrophobicContact CG2-CE1 3.58Å; I124-Y168 HydrophobicContact CG2-CE2 4.23Å; I161-Y168 HydrophobicContact CG2-CE2 4.44Å; I161-Y168 PolarHBondContact O-OH 2.91Å; D164-Y168 HydrophobicContact CB-CE1 3.92Å; D164-Y168 VanDerWaalsContact O-CD1 3.25Å; D164-Y168 WeakPolarHBondContact O-CD1 3.26Å; D164-Y168 VanDerWaalsContact O-CE1 3.22Å; D164-Y168 WeakPolarHBondContact O-CE1 3.46Å; C165-Y168 HydrophobicContact CB-CD2 4.39Å; C165-Y168 HydrophobicContact CB-CE2 4.41Å; C165-Y168 WeakPolarHBondContact O-CB 3.5Å; C165-Y168 PolarHBondContact O-N 3.46Å; Y168-R173 PolarHBondContact O-NH2 3.07Å; Y168-R173 VanDerWaalsContact O-NH2 3.08Å; Y168-V176 HydrophobicContact CD2-CG2 4.18Å; Y168-V176 HydrophobicContact CE2-CG2 4.15Å |
| 169 | E | 87.2 | Confident | 90.8 | Very high | 101 Ų | 101 | 56.1 Ų | 56.1 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | trans | -58.3 | 150.1 | 168.6 | -66.1 | -169.9 | 156 | 0 | 0 | 110.5 | K128 T171 D172 R173 | K128-E169 WeakPolarHBondContact CD-OE2 3.48Å; K128-E169 VanDerWaalsContact CE-CD 3.49Å; K128-E169 VanDerWaalsContact CE-OE1 3.26Å; K128-E169 WeakPolarHBondContact CE-OE1 3.44Å; K128-E169 WeakPolarHBondContact CE-OE2 3.23Å; K128-E169 IonicContact NZ-OE1 2.72Å; K128-E169 PolarHBondContact NZ-OE1 2.87Å; K128-E169 IonicContact NZ-OE2 3.94Å; K128-E169 PolarHBondContact NZ-OE2 3.41Å; E169-T171 VanDerWaalsContact C-N 3.25Å; E169-T171 PolarHBondContact O-N 3.49Å; E169-T171 VanDerWaalsContact O-N 3.12Å; E169-D172 PolarHBondContact O-N 3.41Å; E169-R173 WeakPolarHBondContact O-CB 3.36Å; E169-R173 PolarHBondContact O-N 2.87Å | ||
| 170 | E | 86.5 | Confident | 90.7 | Very high | 156 Ų | 156 | 54.2 Ų | 54.2 | 73% | 0.729 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -53.4 | -39.5 | -171.7 | -171.3 | 177.4 | -175.2 | 0 | 0 | 113.4 | A174 | E170-A174 WeakPolarHBondContact O-CB 3.48Å; E170-A174 PolarHBondContact O-N 3.2Å |
| 171 | T | 87.1 | Confident | 90.7 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -68.1 | -45.4 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | E169 R173 A174 D175 | E169-T171 VanDerWaalsContact C-N 3.25Å; E169-T171 PolarHBondContact O-N 3.49Å; E169-T171 VanDerWaalsContact O-N 3.12Å; T171-R173 VanDerWaalsContact C-N 3.33Å; T171-A174 PolarHBondContact O-N 3.38Å; T171-D175 PolarHBondContact O-N 3.06Å |
| 172 | D | 88.8 | Confident | 90.7 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 179.2 | -79.9 | 7.2 | 0 | 0 | 0 | 110.3 | K128 L129 A130 E169 A174 D175 V176 | K128-D172 WeakPolarHBondContact CB-OD2 3.31Å; L129-D172 HydrophobicContact CB-CB 4.22Å; L129-D172 WeakPolarHBondContact CB-OD2 3.47Å; L129-D172 PolarHBondContact N-OD2 3.36Å; A130-D172 WeakPolarHBondContact CB-OD1 3.22Å; A130-D172 PolarHBondContact N-OD2 2.94Å; E169-D172 PolarHBondContact O-N 3.41Å; D172-A174 PolarHBondContact O-N 3Å; D172-D175 PolarHBondContact O-N 3.5Å; D172-V176 VanDerWaalsContact O-CG2 3.23Å; D172-V176 WeakPolarHBondContact O-CG2 3.31Å; D172-V176 PolarHBondContact O-N 3.34Å |
| 173 | R | 90 | Very high | 90.7 | Very high | 62 Ų | 62 | 57.3 Ų | 57.3 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.6 | -171.6 | -171.3 | -59.6 | 177.6 | 6.6 | 111.6 | C165 I166 Y168 E169 T171 V176 I177 F209 | C165-R173 PolarHBondContact O-NE 2.99Å; I166-R173 PolarHBondContact O-NH2 3.28Å; Y168-R173 PolarHBondContact O-NH2 3.07Å; Y168-R173 VanDerWaalsContact O-NH2 3.08Å; E169-R173 WeakPolarHBondContact O-CB 3.36Å; E169-R173 PolarHBondContact O-N 2.87Å; T171-R173 VanDerWaalsContact C-N 3.33Å; R173-V176 PolarHBondContact O-N 3.02Å; R173-I177 HydrophobicContact CG-CD1 4.07Å; R173-I177 WeakPolarHBondContact O-CG1 3.32Å; R173-I177 PolarHBondContact O-N 2.87Å; R173-I177 VanDerWaalsContact O-N 3.1Å; R173-F209 HydrophobicContact CG-CE2 4.15Å; R173-F209 HydrophobicContact CG-CZ 4.27Å |
| 174 | A | 89.4 | Confident | 90.9 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E170 T171 D172 V176 I177 E178 L213 | E170-A174 WeakPolarHBondContact O-CB 3.48Å; E170-A174 PolarHBondContact O-N 3.2Å; T171-A174 PolarHBondContact O-N 3.38Å; D172-A174 PolarHBondContact O-N 3Å; A174-V176 VanDerWaalsContact C-N 3.33Å; A174-V176 PolarHBondContact O-N 3.02Å; A174-I177 PolarHBondContact O-N 3.09Å; A174-E178 WeakPolarHBondContact O-CB 3.38Å; A174-E178 PolarHBondContact O-N 3.13Å; A174-L213 HydrophobicContact CB-CD1 4.03Å |
| 175 | D | 89.1 | Confident | 91.1 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 179.9 | -75.7 | -9.6 | 0 | 0 | 0 | 112.3 | T171 D172 A179 | T171-D175 PolarHBondContact O-N 3.06Å; D172-D175 PolarHBondContact O-N 3.5Å; D175-A179 WeakPolarHBondContact O-CB 3.3Å; D175-A179 PolarHBondContact O-N 3.2Å |
| 176 | V | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L129 Y168 D172 R173 A174 A179 L180 F206 | L129-V176 HydrophobicContact CD2-CG2 3.08Å; Y168-V176 HydrophobicContact CD2-CG2 4.18Å; Y168-V176 HydrophobicContact CE2-CG2 4.15Å; D172-V176 VanDerWaalsContact O-CG2 3.23Å; D172-V176 WeakPolarHBondContact O-CG2 3.31Å; D172-V176 PolarHBondContact O-N 3.34Å; R173-V176 PolarHBondContact O-N 3.02Å; A174-V176 VanDerWaalsContact C-N 3.33Å; A174-V176 PolarHBondContact O-N 3.02Å; V176-A179 PolarHBondContact O-N 3.46Å; V176-L180 HydrophobicContact CG1-CD1 3.7Å; V176-L180 HydrophobicContact CG1-CG 4.35Å; V176-L180 VanDerWaalsContact O-CB 3.27Å; V176-L180 WeakPolarHBondContact O-CB 3.4Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.27Å; V176-F206 HydrophobicContact CG1-CE1 3.87Å; V176-F206 HydrophobicContact CG1-CZ 4.06Å |
| 177 | I | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | -177.9 | -65.5 | 167.8 | 0 | 0 | 0 | 109.9 | R173 A174 A179 L181 F206 F209 L213 L214 | R173-I177 HydrophobicContact CG-CD1 4.07Å; R173-I177 WeakPolarHBondContact O-CG1 3.32Å; R173-I177 PolarHBondContact O-N 2.87Å; R173-I177 VanDerWaalsContact O-N 3.1Å; A174-I177 PolarHBondContact O-N 3.09Å; I177-A179 VanDerWaalsContact C-N 3.3Å; I177-A179 PolarHBondContact O-N 3.49Å; I177-L181 HydrophobicContact CG2-CB 4.27Å; I177-L181 HydrophobicContact CG2-CD2 4.06Å; I177-L181 WeakPolarHBondContact O-CB 3.45Å; I177-L181 PolarHBondContact O-N 2.89Å; I177-F206 HydrophobicContact CG1-CD1 3.75Å; I177-F206 HydrophobicContact CG1-CE1 3.96Å; I177-F206 HydrophobicContact CG1-CG 4.37Å; I177-F209 HydrophobicContact CD1-CE2 4.13Å; I177-F209 HydrophobicContact CD1-CZ 4.21Å; I177-L213 HydrophobicContact CB-CD2 3.77Å; I177-L213 HydrophobicContact CG2-CD2 3.44Å; I177-L213 VanDerWaalsContact CG2-CD2 3.44Å; I177-L214 HydrophobicContact CG2-CD1 4.29Å |
| 178 | E | 92.3 | Very high | 92.4 | Very high | 116 Ų | 116 | 45.8 Ų | 45.8 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.8 | -39.7 | -178.7 | -174 | 174 | -172.6 | 0 | 0 | 111.8 | A174 P182 L213 | A174-E178 WeakPolarHBondContact O-CB 3.38Å; A174-E178 PolarHBondContact O-N 3.13Å; E178-P182 VanDerWaalsContact O-CD 3.28Å; E178-P182 WeakPolarHBondContact O-CD 3.18Å; E178-P182 WeakPolarHBondContact O-CG 3.46Å; E178-L213 HydrophobicContact CB-CD2 4.49Å |
| 179 | A | 92.7 | Very high | 92.7 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.6 | -44.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I136 D175 V176 I177 N183 | I136-A179 HydrophobicContact CG2-CB 3.6Å; D175-A179 WeakPolarHBondContact O-CB 3.3Å; D175-A179 PolarHBondContact O-N 3.2Å; V176-A179 PolarHBondContact O-N 3.46Å; I177-A179 VanDerWaalsContact C-N 3.3Å; I177-A179 PolarHBondContact O-N 3.49Å; A179-N183 PolarHBondContact O-ND2 2.86Å |
| 180 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -88.8 | -43.2 | -169.6 | -64.3 | -175.9 | 0 | 0 | 0 | 113.1 | I136 L140 L158 V176 N183 I184 F206 | I136-L180 HydrophobicContact CD1-CD1 4.24Å; I136-L180 HydrophobicContact CD1-CD2 4.36Å; I136-L180 HydrophobicContact CD1-CG 4.37Å; I136-L180 HydrophobicContact CG2-CD2 4.16Å; L140-L180 HydrophobicContact CD2-CD2 4.09Å; L158-L180 HydrophobicContact CD2-CD1 3.82Å; L158-L180 HydrophobicContact CD2-CD2 3.86Å; V176-L180 HydrophobicContact CG1-CD1 3.7Å; V176-L180 HydrophobicContact CG1-CG 4.35Å; V176-L180 VanDerWaalsContact O-CB 3.27Å; V176-L180 WeakPolarHBondContact O-CB 3.4Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.27Å; L180-N183 CarbonylContact O-C 3.59Å; L180-N183 PolarHBondContact O-N 3.37Å; L180-I184 HydrophobicContact CB-CD1 3.93Å; L180-I184 WeakPolarHBondContact O-CB 3.4Å; L180-I184 WeakPolarHBondContact O-CG1 3.33Å; L180-I184 PolarHBondContact O-N 3.36Å; L180-F206 HydrophobicContact CB-CE2 4.42Å; L180-F206 HydrophobicContact CB-CZ 4.16Å; L180-F206 HydrophobicContact CD1-CZ 4.33Å |
| 181 | L | 94.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.5 | -47.5 | -171.5 | -179.2 | 63.1 | 0 | 0 | 0 | 112.9 | I177 N183 I184 L185 I203 F206 L214 H217 F222 | I177-L181 HydrophobicContact CG2-CB 4.27Å; I177-L181 HydrophobicContact CG2-CD2 4.06Å; I177-L181 WeakPolarHBondContact O-CB 3.45Å; I177-L181 PolarHBondContact O-N 2.89Å; L181-N183 VanDerWaalsContact C-N 3.26Å; L181-N183 PolarHBondContact O-N 2.9Å; L181-I184 PolarHBondContact O-N 2.96Å; L181-L185 WeakPolarHBondContact O-CB 3.35Å; L181-L185 PolarHBondContact O-N 2.91Å; L181-I203 HydrophobicContact CD1-CG1 3.97Å; L181-F206 HydrophobicContact CB-CD2 4.48Å; L181-F206 HydrophobicContact CB-CE2 4.45Å; L181-F206 HydrophobicContact CD1-CD2 4.06Å; L181-L214 HydrophobicContact CD2-CD1 3.48Å; L181-L214 VanDerWaalsContact CD2-CD1 3.48Å; L181-H217 HydrophobicContact CD2-CB 3.56Å; L181-F222 HydrophobicContact CD1-CE2 4.04Å |
| 182 | P | 93.9 | Very high | 93.9 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -26 | 177.8 | -20.4 | 34.3 | 0 | 0 | 0 | 113.8 | E178 P186 | E178-P182 VanDerWaalsContact O-CD 3.28Å; E178-P182 WeakPolarHBondContact O-CD 3.18Å; E178-P182 WeakPolarHBondContact O-CG 3.46Å; P182-P186 WeakPolarHBondContact O-CD 3.49Å |
| 183 | N | 95.7 | Very high | 94.2 | Very high | 61 Ų | 61 | 44 Ų | 44 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -87.6 | -22.8 | -179.9 | -72.5 | -79.4 | 0 | 0 | 0 | 112.6 | L140 L143 A179 L180 L181 F187 | L140-N183 HydrophobicContact CD2-CB 3.55Å; L143-N183 HydrophobicContact CD1-CB 4.41Å; A179-N183 PolarHBondContact O-ND2 2.86Å; L180-N183 CarbonylContact O-C 3.59Å; L180-N183 PolarHBondContact O-N 3.37Å; L181-N183 VanDerWaalsContact C-N 3.26Å; L181-N183 PolarHBondContact O-N 2.9Å; N183-F187 WeakPolarHBondContact O-CD2 3.45Å; N183-F187 WeakPolarHBondContact O-CE2 3.42Å |
| 184 | I | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -84.2 | -40.6 | 174.8 | -70.8 | 172 | 0 | 0 | 0 | 111.1 | F155 L158 L180 L181 P186 F187 A199 C202 I203 F206 | F155-I184 HydrophobicContact CE1-CB 4.47Å; F155-I184 HydrophobicContact CE1-CD1 4.46Å; F155-I184 HydrophobicContact CE1-CG1 4.02Å; F155-I184 HydrophobicContact CE1-CG2 3.91Å; F155-I184 HydrophobicContact CZ-CG1 4.31Å; F155-I184 HydrophobicContact CZ-CG2 4.28Å; L158-I184 HydrophobicContact CD1-CD1 4.5Å; L180-I184 HydrophobicContact CB-CD1 3.93Å; L180-I184 WeakPolarHBondContact O-CB 3.4Å; L180-I184 WeakPolarHBondContact O-CG1 3.33Å; L180-I184 PolarHBondContact O-N 3.36Å; L181-I184 PolarHBondContact O-N 2.96Å; I184-P186 VanDerWaalsContact C-N 3.34Å; I184-P186 VanDerWaalsContact O-N 3.15Å; I184-F187 WeakPolarHBondContact O-CB 3.29Å; I184-F187 PolarHBondContact O-N 2.84Å; I184-A199 HydrophobicContact CG2-CB 3.96Å; I184-C202 HydrophobicContact CD1-CB 3.91Å; I184-C202 HydrophobicContact CG2-CB 4.25Å; I184-I203 HydrophobicContact CG2-CD1 4.28Å; I184-I203 HydrophobicContact CG2-CG1 4.03Å; I184-F206 HydrophobicContact CD1-CE2 4.38Å |
| 185 | L | 96.6 | Very high | 94.8 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -49.5 | -41.7 | -175.1 | -176.2 | 67 | 0 | 0 | 0 | 114.9 | L181 F187 V188 I203 F222 C225 I226 | L181-L185 WeakPolarHBondContact O-CB 3.35Å; L181-L185 PolarHBondContact O-N 2.91Å; L185-F187 PolarHBondContact O-N 3.41Å; L185-V188 HydrophobicContact CD1-CG2 4.48Å; L185-V188 WeakPolarHBondContact O-CB 3.37Å; L185-V188 WeakPolarHBondContact O-CG2 3.45Å; L185-V188 PolarHBondContact O-N 2.84Å; L185-V188 VanDerWaalsContact O-N 3.16Å; L185-I203 HydrophobicContact CD1-CD1 4.03Å; L185-F222 HydrophobicContact CD1-CD2 3.65Å; L185-F222 HydrophobicContact CD1-CE2 3.87Å; L185-F222 HydrophobicContact CD2-CB 4.44Å; L185-F222 HydrophobicContact CD2-CD2 3.96Å; L185-F222 HydrophobicContact CG-CD2 4.4Å; L185-C225 HydrophobicContact CD1-CB 3.94Å; L185-C225 HydrophobicContact CG-CB 4.3Å; L185-I226 HydrophobicContact CD1-CD1 4.44Å |
| 186 | P | 96.2 | Very high | 95.2 | Very high | 79 Ų | 79 | 39.2 Ų | 39.2 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -61 | -26.2 | 177.9 | -24.7 | 35.8 | 0 | 0 | 0 | 113.9 | P182 I184 V188 Q189 | P182-P186 WeakPolarHBondContact O-CD 3.49Å; I184-P186 VanDerWaalsContact C-N 3.34Å; I184-P186 VanDerWaalsContact O-N 3.15Å; P186-V188 PolarHBondContact O-N 2.99Å; P186-Q189 PolarHBondContact O-N 3.17Å; P186-Q189 VanDerWaalsContact O-N 3.16Å |
| 187 | F | 97.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 41 Ų | 41 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -71.2 | -18.4 | 179.9 | -70.6 | -86.5 | 0 | 0 | 0 | 113.3 | L143 I151 F155 N183 I184 L185 Q189 H190 L195 A199 | L143-F187 HydrophobicContact CB-CE2 4.17Å; L143-F187 HydrophobicContact CB-CZ 4.19Å; L143-F187 HydrophobicContact CD1-CE2 4.42Å; L143-F187 HydrophobicContact CD2-CE2 4.29Å; L143-F187 HydrophobicContact CD2-CZ 4.35Å; I151-F187 HydrophobicContact CD1-CE1 4.32Å; I151-F187 HydrophobicContact CG2-CD1 4.41Å; I151-F187 HydrophobicContact CG2-CE1 3.74Å; I151-F187 HydrophobicContact CG2-CZ 4.11Å; F155-F187 HydrophobicContact CE2-CB 4.24Å; F155-F187 AromaticContact CE2-CD1 3.96Å; F155-F187 HydrophobicContact CE2-CD1 3.96Å; F155-F187 AromaticContact CE2-CD2 4Å; F155-F187 HydrophobicContact CE2-CD2 4Å; F155-F187 HydrophobicContact CE2-CE1 4.3Å; F155-F187 HydrophobicContact CE2-CE2 4.33Å; F155-F187 AromaticContact CE2-CG 3.8Å; F155-F187 HydrophobicContact CE2-CG 3.8Å; F155-F187 HydrophobicContact CE2-CZ 4.47Å; F155-F187 HydrophobicContact CZ-CB 3.92Å; F155-F187 HydrophobicContact CZ-CD1 4.41Å; F155-F187 AromaticContact CZ-CD2 3.78Å; F155-F187 HydrophobicContact CZ-CD2 3.78Å; F155-F187 HydrophobicContact CZ-CE2 4.4Å; F155-F187 AromaticContact CZ-CG 3.78Å; F155-F187 HydrophobicContact CZ-CG 3.78Å; N183-F187 WeakPolarHBondContact O-CD2 3.45Å; N183-F187 WeakPolarHBondContact O-CE2 3.42Å; I184-F187 WeakPolarHBondContact O-CB 3.29Å; I184-F187 PolarHBondContact O-N 2.84Å; L185-F187 PolarHBondContact O-N 3.41Å; F187-Q189 PolarHBondContact O-N 3.27Å; F187-H190 HydrophobicContact CD1-CB 4.41Å; F187-H190 WeakPolarHBondContact O-CB 3.34Å; F187-H190 PolarHBondContact O-N 3.16Å; F187-L195 HydrophobicContact CD1-CB 4.48Å; F187-L195 HydrophobicContact CD1-CD1 4.28Å; F187-L195 HydrophobicContact CE1-CD1 4.45Å; F187-A199 HydrophobicContact CB-CB 3.65Å |
| 188 | V | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -59 | -27.4 | 170.2 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | L185 P186 R196 A199 L200 I203 I226 R229 | L185-V188 HydrophobicContact CD1-CG2 4.48Å; L185-V188 WeakPolarHBondContact O-CB 3.37Å; L185-V188 WeakPolarHBondContact O-CG2 3.45Å; L185-V188 PolarHBondContact O-N 2.84Å; L185-V188 VanDerWaalsContact O-N 3.16Å; P186-V188 PolarHBondContact O-N 2.99Å; V188-R196 WeakPolarHBondContact O-CD 3.35Å; V188-R196 WeakPolarHBondContact O-CG 3.44Å; V188-A199 HydrophobicContact CG2-CB 4.09Å; V188-L200 HydrophobicContact CG1-CD2 4.02Å; V188-L200 HydrophobicContact CG1-CG 4.39Å; V188-L200 HydrophobicContact CG2-CD2 4.06Å; V188-L200 HydrophobicContact CG2-CG 4.33Å; V188-I203 HydrophobicContact CG2-CD1 3.5Å; V188-I226 HydrophobicContact CG1-CD1 4.44Å; V188-I226 HydrophobicContact CG2-CD1 4.32Å; V188-R229 HydrophobicContact CG1-CG 3.64Å; V188-R229 WeakPolarHBondContact O-CD 3.3Å |
| 189 | Q | 95.6 | Very high | 95.9 | Very high | 111 Ų | 111 | 36.3 Ų | 36.3 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -99.8 | 9.4 | 177.8 | -63.5 | -176.4 | -23.7 | 0 | 0 | 113.3 | P186 F187 | P186-Q189 PolarHBondContact O-N 3.17Å; P186-Q189 VanDerWaalsContact O-N 3.16Å; F187-Q189 PolarHBondContact O-N 3.27Å |
| 190 | H | 95.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 35 Ų | 35 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | trans | -70.6 | 151.3 | -176.1 | -165.6 | -90.7 | 0 | 0 | 0 | 112.5 | F187 S192 L195 R196 | F187-H190 HydrophobicContact CD1-CB 4.41Å; F187-H190 WeakPolarHBondContact O-CB 3.34Å; F187-H190 PolarHBondContact O-N 3.16Å; H190-S192 WeakPolarHBondContact ND1-CB 3.43Å; H190-S192 PolarHBondContact ND1-N 3.37Å; H190-S192 PolarHBondContact O-N 2.57Å; H190-L195 HydrophobicContact CB-CB 4.35Å; H190-R196 HydrophobicContact CB-CG 4.49Å; H190-R196 WeakPolarHBondContact O-CD 3.38Å; H190-R196 WeakPolarHBondContact O-CG 3.33Å; H190-R196 PolarHBondContact O-NH1 3.49Å | ||
| 191 | S | 94.8 | Very high | 96.2 | Very high | 108 Ų | 108 | 38.4 Ų | 38.4 | 76% | 0.755 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -67.2 | -34.8 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | V193 R196 | S191-V193 PolarHBondContact O-N 3.46Å; S191-R196 PolarHBondContact O-NH1 2.92Å; S191-R196 VanDerWaalsContact O-NH1 3.11Å |
| 192 | S | 95.8 | Very high | 96.4 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -70.1 | 121.6 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | Q152 H190 T194 L195 R196 | Q152-S192 PolarHBondContact NE2-OG 2.88Å; H190-S192 WeakPolarHBondContact ND1-CB 3.43Å; H190-S192 PolarHBondContact ND1-N 3.37Å; H190-S192 PolarHBondContact O-N 2.57Å; S192-T194 PolarHBondContact O-N 3.22Å; S192-L195 PolarHBondContact O-N 3.08Å; S192-R196 PolarHBondContact O-N 3.11Å; S192-R196 VanDerWaalsContact O-N 3.16Å |
| 193 | V | 95.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54.5 | -51.3 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | S191 L195 R196 E197 E234 | S191-V193 PolarHBondContact O-N 3.46Å; V193-L195 VanDerWaalsContact C-N 3.27Å; V193-L195 PolarHBondContact O-N 3.27Å; V193-R196 WeakPolarHBondContact O-CB 3.3Å; V193-R196 PolarHBondContact O-N 3.08Å; V193-E197 PolarHBondContact O-N 3.11Å; V193-E234 HydrophobicContact CB-CG 4.37Å; V193-E234 HydrophobicContact CG1-CB 4Å; V193-E234 HydrophobicContact CG1-CG 3.62Å; V193-E234 HydrophobicContact CG2-CG 3.82Å |
| 194 | T | 95.2 | Very high | 96.5 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 39% | 0.387 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.7 | -37.9 | -179.2 | -48.8 | 0 | 0 | 0 | 0 | 112.7 | Q152 S192 E197 L198 | Q152-T194 HydrophobicContact CG-CG2 4.12Å; S192-T194 PolarHBondContact O-N 3.22Å; T194-E197 PolarHBondContact O-N 3.32Å; T194-L198 HydrophobicContact CG2-CD1 3.88Å; T194-L198 HydrophobicContact CG2-CG 4.47Å; T194-L198 WeakPolarHBondContact O-CB 3.31Å; T194-L198 VanDerWaalsContact O-CG 3.25Å; T194-L198 WeakPolarHBondContact O-CG 3.2Å; T194-L198 PolarHBondContact O-N 2.93Å |
| 195 | L | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.5 | -34.2 | 177.2 | -71.3 | -179 | 0 | 0 | 0 | 112.7 | V148 I151 Q152 F155 F187 H190 S192 V193 A199 | V148-L195 HydrophobicContact CG1-CD1 3.92Å; V148-L195 HydrophobicContact CG1-CG 4.43Å; V148-L195 HydrophobicContact CG2-CD1 4.47Å; I151-L195 HydrophobicContact CB-CD2 4.35Å; I151-L195 HydrophobicContact CG2-CD1 4.12Å; I151-L195 HydrophobicContact CG2-CD2 3.65Å; Q152-L195 HydrophobicContact CB-CD2 4.3Å; Q152-L195 HydrophobicContact CG-CD2 3.49Å; Q152-L195 VanDerWaalsContact CG-CD2 3.49Å; Q152-L195 HydrophobicContact CG-CG 3.95Å; F155-L195 HydrophobicContact CD2-CD2 3.71Å; F155-L195 HydrophobicContact CE2-CD2 4.1Å; F187-L195 HydrophobicContact CD1-CB 4.48Å; F187-L195 HydrophobicContact CD1-CD1 4.28Å; F187-L195 HydrophobicContact CE1-CD1 4.45Å; H190-L195 HydrophobicContact CB-CB 4.35Å; S192-L195 PolarHBondContact O-N 3.08Å; V193-L195 VanDerWaalsContact C-N 3.27Å; V193-L195 PolarHBondContact O-N 3.27Å; L195-A199 WeakPolarHBondContact O-CB 3.38Å; L195-A199 PolarHBondContact O-N 3.47Å |
| 196 | R | 97.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 172.1 | -63.2 | -160.6 | -62.4 | -75.1 | 2.5 | 111.1 | V188 H190 S191 S192 V193 A199 L200 D232 I237 | V188-R196 WeakPolarHBondContact O-CD 3.35Å; V188-R196 WeakPolarHBondContact O-CG 3.44Å; H190-R196 HydrophobicContact CB-CG 4.49Å; H190-R196 WeakPolarHBondContact O-CD 3.38Å; H190-R196 WeakPolarHBondContact O-CG 3.33Å; H190-R196 PolarHBondContact O-NH1 3.49Å; S191-R196 PolarHBondContact O-NH1 2.92Å; S191-R196 VanDerWaalsContact O-NH1 3.11Å; S192-R196 PolarHBondContact O-N 3.11Å; S192-R196 VanDerWaalsContact O-N 3.16Å; V193-R196 WeakPolarHBondContact O-CB 3.3Å; V193-R196 PolarHBondContact O-N 3.08Å; R196-A199 PolarHBondContact O-N 3.26Å; R196-L200 WeakPolarHBondContact O-CG 3.35Å; R196-L200 PolarHBondContact O-N 3.46Å; R196-D232 IonicContact CZ-OD1 3.29Å; R196-D232 IonicContact CZ-OD2 2.95Å; R196-D232 IonicContact NE-OD1 3.57Å; R196-D232 IonicContact NE-OD2 2.72Å; R196-D232 PolarHBondContact NE-OD2 3.03Å; R196-D232 IonicContact NH2-OD1 2.69Å; R196-D232 PolarHBondContact NH2-OD1 3.07Å; R196-D232 IonicContact NH2-OD2 3.23Å; R196-D232 PolarHBondContact NH2-OD2 2.64Å; R196-I237 HydrophobicContact CB-CD1 3.62Å |
| 197 | E | 96.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 28.8 Ų | 28.8 | 17% | 0.173 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -53.2 | 179.6 | -175.6 | -177.8 | 152.9 | 0 | 0 | 111.4 | V193 T194 A199 L200 R201 S236 I237 | V193-E197 PolarHBondContact O-N 3.11Å; T194-E197 PolarHBondContact O-N 3.32Å; E197-A199 VanDerWaalsContact C-N 3.28Å; E197-A199 PolarHBondContact O-N 3.42Å; E197-L200 PolarHBondContact O-N 2.92Å; E197-L200 VanDerWaalsContact O-N 3.16Å; E197-R201 PolarHBondContact O-N 3.47Å; E197-R201 IonicContact OE1-CZ 3.09Å; E197-R201 VanDerWaalsContact OE1-CZ 3.29Å; E197-R201 IonicContact OE1-NE 3.48Å; E197-R201 IonicContact OE1-NH1 3.18Å; E197-R201 IonicContact OE1-NH2 3.58Å; E197-R201 PolarHBondContact OE1-NH2 3.29Å; E197-S236 VanDerWaalsContact OE2-CB 3.29Å; E197-S236 WeakPolarHBondContact OE2-CB 3.28Å; E197-S236 PolarHBondContact OE2-OG 2.82Å; E197-I237 VanDerWaalsContact CA-CD1 3.45Å; E197-I237 HydrophobicContact CB-CD1 3.65Å |
| 198 | L | 97.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 30 Ų | 30 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -36.2 | 179.3 | -71.5 | 167.5 | 0 | 0 | 0 | 112.5 | Q152 F155 T194 R201 C202 | Q152-L198 HydrophobicContact CB-CD1 4.45Å; Q152-L198 HydrophobicContact CG-CD1 4.43Å; F155-L198 HydrophobicContact CB-CB 3.78Å; F155-L198 HydrophobicContact CB-CD1 3.69Å; F155-L198 HydrophobicContact CB-CD2 4.46Å; F155-L198 HydrophobicContact CB-CG 4.18Å; F155-L198 HydrophobicContact CD1-CB 3.93Å; F155-L198 HydrophobicContact CG-CB 3.87Å; F155-L198 HydrophobicContact CG-CD1 4.46Å; T194-L198 HydrophobicContact CG2-CD1 3.88Å; T194-L198 HydrophobicContact CG2-CG 4.47Å; T194-L198 WeakPolarHBondContact O-CB 3.31Å; T194-L198 VanDerWaalsContact O-CG 3.25Å; T194-L198 WeakPolarHBondContact O-CG 3.2Å; T194-L198 PolarHBondContact O-N 2.93Å; L198-R201 PolarHBondContact O-N 3Å; L198-C202 PolarHBondContact O-N 3.5Å; L198-C202 VanDerWaalsContact O-N 3.09Å; L198-C202 PolarHBondContact O-SG 3.44Å |
| 199 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | F155 I184 F187 V188 L195 R196 E197 C202 I203 | F155-A199 HydrophobicContact CE1-CB 4.15Å; F155-A199 HydrophobicContact CZ-CB 4.19Å; I184-A199 HydrophobicContact CG2-CB 3.96Å; F187-A199 HydrophobicContact CB-CB 3.65Å; V188-A199 HydrophobicContact CG2-CB 4.09Å; L195-A199 WeakPolarHBondContact O-CB 3.38Å; L195-A199 PolarHBondContact O-N 3.47Å; R196-A199 PolarHBondContact O-N 3.26Å; E197-A199 VanDerWaalsContact C-N 3.28Å; E197-A199 PolarHBondContact O-N 3.42Å; A199-C202 PolarHBondContact O-N 3.16Å; A199-I203 VanDerWaalsContact O-CG1 3.27Å; A199-I203 WeakPolarHBondContact O-CG1 3.13Å; A199-I203 PolarHBondContact O-N 3.22Å |
| 200 | L | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 176 | -74.7 | 171.2 | 0 | 0 | 0 | 111.9 | V188 R196 E197 C202 I203 N204 I226 I237 E240 | V188-L200 HydrophobicContact CG1-CD2 4.02Å; V188-L200 HydrophobicContact CG1-CG 4.39Å; V188-L200 HydrophobicContact CG2-CD2 4.06Å; V188-L200 HydrophobicContact CG2-CG 4.33Å; R196-L200 WeakPolarHBondContact O-CG 3.35Å; R196-L200 PolarHBondContact O-N 3.46Å; E197-L200 PolarHBondContact O-N 2.92Å; E197-L200 VanDerWaalsContact O-N 3.16Å; L200-C202 PolarHBondContact O-N 3.13Å; L200-I203 PolarHBondContact O-N 3.17Å; L200-N204 WeakPolarHBondContact O-CB 3.36Å; L200-N204 VanDerWaalsContact O-CG 3.22Å; L200-N204 PolarHBondContact O-N 2.74Å; L200-I226 HydrophobicContact CD2-CD1 3.72Å; L200-I237 HydrophobicContact CD1-CD1 4.4Å; L200-I237 HydrophobicContact CD1-CG2 3.75Å; L200-E240 HydrophobicContact CB-CB 3.75Å; L200-E240 HydrophobicContact CB-CG 4.43Å; L200-E240 HydrophobicContact CD1-CB 4.17Å |
| 201 | R | 97.2 | Very high | 93.8 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 28% | 0.275 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 174.9 | -75.4 | -171.5 | -177.6 | 171.3 | 12 | 112.8 | E159 E197 L198 I203 N204 C205 E240 | E159-R201 VanDerWaalsContact OE1-CD 3.26Å; E159-R201 WeakPolarHBondContact OE1-CD 3.4Å; E159-R201 IonicContact OE1-NH1 2.96Å; E197-R201 PolarHBondContact O-N 3.47Å; E197-R201 IonicContact OE1-CZ 3.09Å; E197-R201 VanDerWaalsContact OE1-CZ 3.29Å; E197-R201 IonicContact OE1-NE 3.48Å; E197-R201 IonicContact OE1-NH1 3.18Å; E197-R201 IonicContact OE1-NH2 3.58Å; E197-R201 PolarHBondContact OE1-NH2 3.29Å; L198-R201 PolarHBondContact O-N 3Å; R201-I203 VanDerWaalsContact C-N 3.3Å; R201-I203 PolarHBondContact O-N 3.43Å; R201-N204 WeakPolarHBondContact O-CB 3.48Å; R201-N204 PolarHBondContact O-N 3.1Å; R201-C205 PolarHBondContact O-N 3.33Å; R201-C205 PolarHBondContact O-SG 2.85Å; R201-E240 HydrophobicContact CG-CG 3.94Å; R201-E240 WeakPolarHBondContact CG-OE1 3.41Å; R201-E240 IonicContact CZ-OE1 3.2Å; R201-E240 IonicContact NE-OE1 3.86Å; R201-E240 PolarHBondContact NE-OE1 3.2Å; R201-E240 IonicContact NH2-OE1 3.24Å |
| 202 | C | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 176.9 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | I184 L198 A199 L200 C205 F206 | I184-C202 HydrophobicContact CD1-CB 3.91Å; I184-C202 HydrophobicContact CG2-CB 4.25Å; L198-C202 PolarHBondContact O-N 3.5Å; L198-C202 VanDerWaalsContact O-N 3.09Å; L198-C202 PolarHBondContact O-SG 3.44Å; A199-C202 PolarHBondContact O-N 3.16Å; L200-C202 PolarHBondContact O-N 3.13Å; C202-C205 WeakPolarHBondContact O-CB 3.34Å; C202-C205 PolarHBondContact O-N 3.41Å; C202-F206 VanDerWaalsContact O-CD2 3.28Å; C202-F206 WeakPolarHBondContact O-CD2 3.34Å; C202-F206 PolarHBondContact O-N 3.06Å |
| 203 | I | 96.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 175.4 | -70 | 168.3 | 0 | 0 | 0 | 110.7 | L181 I184 L185 V188 A199 L200 R201 C205 F206 L207 F222 I226 | L181-I203 HydrophobicContact CD1-CG1 3.97Å; I184-I203 HydrophobicContact CG2-CD1 4.28Å; I184-I203 HydrophobicContact CG2-CG1 4.03Å; L185-I203 HydrophobicContact CD1-CD1 4.03Å; V188-I203 HydrophobicContact CG2-CD1 3.5Å; A199-I203 VanDerWaalsContact O-CG1 3.27Å; A199-I203 WeakPolarHBondContact O-CG1 3.13Å; A199-I203 PolarHBondContact O-N 3.22Å; L200-I203 PolarHBondContact O-N 3.17Å; R201-I203 VanDerWaalsContact C-N 3.3Å; R201-I203 PolarHBondContact O-N 3.43Å; I203-C205 VanDerWaalsContact C-N 3.32Å; I203-C205 PolarHBondContact O-N 2.95Å; I203-F206 WeakPolarHBondContact O-CB 3.42Å; I203-F206 PolarHBondContact O-N 3.09Å; I203-L207 HydrophobicContact CG2-CD1 3.77Å; I203-L207 HydrophobicContact CG2-CG 4.17Å; I203-L207 WeakPolarHBondContact O-CG 3.36Å; I203-L207 PolarHBondContact O-N 3.3Å; I203-F222 HydrophobicContact CG2-CE2 4.05Å; I203-F222 HydrophobicContact CG2-CZ 3.69Å; I203-I226 HydrophobicContact CD1-CD1 4.11Å; I203-I226 HydrophobicContact CG2-CD1 4.35Å |
| 204 | N | 96.1 | Very high | 92 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 176.9 | -75.9 | -12.9 | 0 | 0 | 0 | 111.9 | L200 R201 F206 L207 S208 E240 A244 Y247 | L200-N204 WeakPolarHBondContact O-CB 3.36Å; L200-N204 VanDerWaalsContact O-CG 3.22Å; L200-N204 PolarHBondContact O-N 2.74Å; R201-N204 WeakPolarHBondContact O-CB 3.48Å; R201-N204 PolarHBondContact O-N 3.1Å; N204-F206 VanDerWaalsContact C-N 3.25Å; N204-F206 PolarHBondContact O-N 3.05Å; N204-L207 PolarHBondContact O-N 2.86Å; N204-S208 PolarHBondContact O-N 3.36Å; N204-E240 PolarHBondContact ND2-O 3.29Å; N204-E240 PolarHBondContact ND2-OE2 2.78Å; N204-A244 WeakPolarHBondContact OD1-CA 3.3Å; N204-A244 WeakPolarHBondContact OD1-CB 3.14Å; N204-A244 PolarHBondContact OD1-N 3.47Å; N204-Y247 HydrophobicContact CB-CD2 4.19Å; N204-Y247 HydrophobicContact CB-CE2 3.98Å; N204-Y247 WeakPolarHBondContact O-CD2 3.24Å; N204-Y247 WeakPolarHBondContact O-CE2 3.35Å |
| 205 | C | 95 | Very high | 91.4 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -34.4 | 172.3 | -62.4 | 0 | 0 | 0 | 0 | 113 | C162 R201 C202 I203 S208 F209 | C162-C205 HydrophobicContact CB-CB 3.59Å; R201-C205 PolarHBondContact O-N 3.33Å; R201-C205 PolarHBondContact O-SG 2.85Å; C202-C205 WeakPolarHBondContact O-CB 3.34Å; C202-C205 PolarHBondContact O-N 3.41Å; I203-C205 VanDerWaalsContact C-N 3.32Å; I203-C205 PolarHBondContact O-N 2.95Å; C205-S208 PolarHBondContact O-OG 2.97Å; C205-F209 WeakPolarHBondContact O-CE1 3.25Å |
| 206 | F | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.7 | -36.8 | 174.8 | -63 | -48.5 | 0 | 0 | 0 | 112.5 | C162 C165 V176 I177 L180 L181 I184 C202 I203 N204 S208 L214 | C162-F206 HydrophobicContact CB-CE1 4.05Å; C162-F206 HydrophobicContact CB-CZ 4.04Å; C162-F206 WeakPolarHBondContact SG-CZ 3.32Å; C165-F206 HydrophobicContact CB-CE1 4.4Å; V176-F206 HydrophobicContact CG1-CE1 3.87Å; V176-F206 HydrophobicContact CG1-CZ 4.06Å; I177-F206 HydrophobicContact CG1-CD1 3.75Å; I177-F206 HydrophobicContact CG1-CE1 3.96Å; I177-F206 HydrophobicContact CG1-CG 4.37Å; L180-F206 HydrophobicContact CB-CE2 4.42Å; L180-F206 HydrophobicContact CB-CZ 4.16Å; L180-F206 HydrophobicContact CD1-CZ 4.33Å; L181-F206 HydrophobicContact CB-CD2 4.48Å; L181-F206 HydrophobicContact CB-CE2 4.45Å; L181-F206 HydrophobicContact CD1-CD2 4.06Å; I184-F206 HydrophobicContact CD1-CE2 4.38Å; C202-F206 VanDerWaalsContact O-CD2 3.28Å; C202-F206 WeakPolarHBondContact O-CD2 3.34Å; C202-F206 PolarHBondContact O-N 3.06Å; I203-F206 WeakPolarHBondContact O-CB 3.42Å; I203-F206 PolarHBondContact O-N 3.09Å; N204-F206 VanDerWaalsContact C-N 3.25Å; N204-F206 PolarHBondContact O-N 3.05Å; F206-S208 VanDerWaalsContact C-N 3.29Å; F206-S208 PolarHBondContact O-N 3.12Å; F206-L214 HydrophobicContact CB-CD1 4.48Å; F206-L214 HydrophobicContact CB-CD2 4.44Å; F206-L214 WeakPolarHBondContact O-CD2 3.32Å |
| 207 | L | 92.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.2 | -20.8 | -179.2 | -67.5 | 172.6 | 0 | 0 | 0 | 113.2 | I203 N204 F209 L214 V218 F222 A244 Y247 L248 | I203-L207 HydrophobicContact CG2-CD1 3.77Å; I203-L207 HydrophobicContact CG2-CG 4.17Å; I203-L207 WeakPolarHBondContact O-CG 3.36Å; I203-L207 PolarHBondContact O-N 3.3Å; N204-L207 PolarHBondContact O-N 2.86Å; L207-F209 PolarHBondContact O-N 3.16Å; L207-F209 VanDerWaalsContact O-N 3.1Å; L207-L214 HydrophobicContact CD2-CD2 4.15Å; L207-V218 HydrophobicContact CD2-CG2 4.23Å; L207-F222 HydrophobicContact CD1-CZ 4.43Å; L207-F222 HydrophobicContact CD2-CZ 4.38Å; L207-A244 HydrophobicContact CD1-CB 4.22Å; L207-Y247 HydrophobicContact CB-CD2 4.02Å; L207-Y247 HydrophobicContact CB-CG 4.25Å; L207-L248 HydrophobicContact CD1-CD2 4.49Å; L207-L248 HydrophobicContact CD1-CG 4.18Å; L207-L248 HydrophobicContact CD2-CD2 3.8Å; L207-L248 HydrophobicContact CD2-CG 4.29Å |
| 208 | S | 89.3 | Confident | 90 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 35% | 0.35 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -3.3 | -175.3 | 66.9 | 0 | 0 | 0 | 0 | 115.1 | N204 C205 F206 | N204-S208 PolarHBondContact O-N 3.36Å; C205-S208 PolarHBondContact O-OG 2.97Å; F206-S208 VanDerWaalsContact C-N 3.29Å; F206-S208 PolarHBondContact O-N 3.12Å |
| 209 | F | 85 | Confident | 89.7 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -141.4 | 148.5 | 176.2 | 58.5 | -95.8 | 0 | 0 | 0 | 112.2 | I166 R173 I177 C205 L207 S211 | I166-F209 HydrophobicContact CB-CD1 3.84Å; I166-F209 HydrophobicContact CB-CE1 4.14Å; I166-F209 HydrophobicContact CB-CG 4.43Å; I166-F209 HydrophobicContact CD1-CB 3.82Å; I166-F209 HydrophobicContact CD1-CD1 4.14Å; I166-F209 HydrophobicContact CD1-CG 4.26Å; I166-F209 HydrophobicContact CG1-CB 4.08Å; I166-F209 HydrophobicContact CG1-CD1 3.95Å; I166-F209 HydrophobicContact CG1-CG 4.08Å; R173-F209 HydrophobicContact CG-CE2 4.15Å; R173-F209 HydrophobicContact CG-CZ 4.27Å; I177-F209 HydrophobicContact CD1-CE2 4.13Å; I177-F209 HydrophobicContact CD1-CZ 4.21Å; C205-F209 WeakPolarHBondContact O-CE1 3.25Å; L207-F209 PolarHBondContact O-N 3.16Å; L207-F209 VanDerWaalsContact O-N 3.1Å; F209-S211 PolarHBondContact O-N 3.15Å |
| 210 | P | 80.1 | Confident | 89.3 | Confident | 105 Ų | 105 | 44.4 Ų | 44.4 | 68% | 0.682 | 24% | 0.239 | S | C | * | . | trans | -68.4 | 132.2 | 177.2 | 27.2 | -33.5 | 0 | 0 | 0 | 111.3 | ||||
| 211 | S | 82.8 | Confident | 89 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | trans | -144.1 | 124.6 | 175.1 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | F209 L213 L214 Q215 | F209-S211 PolarHBondContact O-N 3.15Å; S211-L213 PolarHBondContact O-N 2.92Å; S211-L213 PolarHBondContact OG-N 3.08Å; S211-L214 WeakPolarHBondContact O-CB 3.46Å; S211-L214 PolarHBondContact O-N 3.33Å; S211-L214 VanDerWaalsContact O-N 3.15Å; S211-L214 PolarHBondContact OG-N 2.9Å; S211-Q215 PolarHBondContact O-N 3.13Å | ||
| 212 | P | 81.2 | Confident | 88.8 | Confident | 96 Ų | 96 | 48.3 Ų | 48.3 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.1 | -35.9 | 176.1 | -24.6 | 33.6 | 0 | 0 | 0 | 112.9 | Q215 | P212-Q215 WeakPolarHBondContact O-CB 3.08Å; P212-Q215 PolarHBondContact O-N 3.09Å |
| 213 | L | 82.5 | Confident | 88.7 | Confident | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 177.4 | -174.8 | 138.2 | 0 | 0 | 0 | 111.1 | A174 I177 E178 S211 Q215 M216 H217 | A174-L213 HydrophobicContact CB-CD1 4.03Å; I177-L213 HydrophobicContact CB-CD2 3.77Å; I177-L213 HydrophobicContact CG2-CD2 3.44Å; I177-L213 VanDerWaalsContact CG2-CD2 3.44Å; E178-L213 HydrophobicContact CB-CD2 4.49Å; S211-L213 PolarHBondContact O-N 2.92Å; S211-L213 PolarHBondContact OG-N 3.08Å; L213-Q215 PolarHBondContact O-N 2.84Å; L213-M216 WeakPolarHBondContact O-CB 3.43Å; L213-M216 PolarHBondContact O-N 3.36Å; L213-H217 PolarHBondContact O-CD2 3.25Å; L213-H217 PolarHBondContact O-N 2.9Å |
| 214 | L | 83.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -36.5 | 175.1 | -172.1 | 60.1 | 0 | 0 | 0 | 111.6 | I177 L181 F206 L207 S211 M216 H217 V218 | I177-L214 HydrophobicContact CG2-CD1 4.29Å; L181-L214 HydrophobicContact CD2-CD1 3.48Å; L181-L214 VanDerWaalsContact CD2-CD1 3.48Å; F206-L214 HydrophobicContact CB-CD1 4.48Å; F206-L214 HydrophobicContact CB-CD2 4.44Å; F206-L214 WeakPolarHBondContact O-CD2 3.32Å; L207-L214 HydrophobicContact CD2-CD2 4.15Å; S211-L214 WeakPolarHBondContact O-CB 3.46Å; S211-L214 PolarHBondContact O-N 3.33Å; S211-L214 VanDerWaalsContact O-N 3.15Å; S211-L214 PolarHBondContact OG-N 2.9Å; L214-M216 PolarHBondContact O-N 3.35Å; L214-M216 VanDerWaalsContact O-N 3.1Å; L214-H217 PolarHBondContact O-N 3.06Å; L214-V218 HydrophobicContact CD1-CG2 4.39Å; L214-V218 HydrophobicContact CG-CG2 4.22Å; L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.38Å |
| 215 | Q | 82.2 | Confident | 88.5 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.6 | -24.2 | 175.2 | -161.7 | 177.2 | 12.2 | 0 | 0 | 113.4 | S211 P212 L213 K255 | S211-Q215 PolarHBondContact O-N 3.13Å; P212-Q215 WeakPolarHBondContact O-CB 3.08Å; P212-Q215 PolarHBondContact O-N 3.09Å; L213-Q215 PolarHBondContact O-N 2.84Å; Q215-K255 VanDerWaalsContact O-CE 3.31Å; Q215-K255 WeakPolarHBondContact O-CE 3.49Å; Q215-K255 PolarHBondContact O-NZ 2.84Å |
| 216 | M | 85.9 | Confident | 88.5 | Confident | 147 Ų | 147 | 54.3 Ų | 54.3 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -81.4 | -30.8 | 173.2 | -59.6 | -179.2 | 62.1 | 0 | 0 | 112.7 | L213 L214 T219 | L213-M216 WeakPolarHBondContact O-CB 3.43Å; L213-M216 PolarHBondContact O-N 3.36Å; L214-M216 PolarHBondContact O-N 3.35Å; L214-M216 VanDerWaalsContact O-N 3.1Å; M216-T219 WeakPolarHBondContact O-CG2 3.4Å |
| 217 | H | 87.4 | Confident | 88.5 | Confident | 52 Ų | 52 | 57 Ų | 57 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -84.4 | -25.9 | -179.9 | -75.6 | -77.9 | 0 | 0 | 0 | 114 | L181 L213 L214 T219 F222 | L181-H217 HydrophobicContact CD2-CB 3.56Å; L213-H217 PolarHBondContact O-CD2 3.25Å; L213-H217 PolarHBondContact O-N 2.9Å; L214-H217 PolarHBondContact O-N 3.06Å; H217-T219 PolarHBondContact O-N 3Å; H217-T219 PolarHBondContact O-OG1 3.42Å; H217-F222 WeakPolarHBondContact O-CB 3.27Å |
| 218 | V | 88.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | trans | -71.6 | 74.3 | 171 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | L207 L214 F222 L223 L248 K255 | L207-V218 HydrophobicContact CD2-CG2 4.23Å; L214-V218 HydrophobicContact CD1-CG2 4.39Å; L214-V218 HydrophobicContact CG-CG2 4.22Å; L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.38Å; V218-F222 HydrophobicContact CB-CD1 4.36Å; V218-F222 HydrophobicContact CG1-CD1 4.05Å; V218-F222 HydrophobicContact CG1-CE1 4.37Å; V218-F222 HydrophobicContact CG2-CD1 4.32Å; V218-F222 HydrophobicContact CG2-CE1 4.2Å; V218-L223 HydrophobicContact CG1-CD2 3.95Å; V218-L223 HydrophobicContact CG1-CG 4.24Å; V218-L248 HydrophobicContact CG1-CD2 3.81Å; V218-L248 HydrophobicContact CG2-CD2 4.36Å; V218-K255 HydrophobicContact CG1-CB 4.05Å; V218-K255 HydrophobicContact CG1-CG 4.18Å | ||
| 219 | T | 90.3 | Very high | 88.8 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | trans | -94 | 170.8 | 179 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | M216 H217 Q221 F222 L223 | M216-T219 WeakPolarHBondContact O-CG2 3.4Å; H217-T219 PolarHBondContact O-N 3Å; H217-T219 PolarHBondContact O-OG1 3.42Å; T219-Q221 PolarHBondContact O-N 2.91Å; T219-F222 WeakPolarHBondContact O-CB 3.1Å; T219-F222 PolarHBondContact O-N 3.11Å; T219-F222 VanDerWaalsContact O-N 3.14Å; T219-F222 PolarHBondContact OG1-N 3Å; T219-L223 WeakPolarHBondContact O-CG 3.47Å; T219-L223 PolarHBondContact O-N 3.1Å | ||
| 220 | E | 89.3 | Confident | 89.1 | Confident | 158 Ų | 158 | 60.6 Ų | 60.6 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.6 | -40.8 | 171.9 | -66.5 | 177.4 | 178.9 | 0 | 0 | 111.7 | F222 L223 E224 | E220-F222 PolarHBondContact O-N 3.03Å; E220-L223 PolarHBondContact O-N 3.34Å; E220-E224 WeakPolarHBondContact O-CB 3.33Å; E220-E224 VanDerWaalsContact O-CG 3.29Å; E220-E224 WeakPolarHBondContact O-CG 3.49Å; E220-E224 PolarHBondContact O-N 3.37Å |
| 221 | Q | 90.9 | Very high | 89.6 | Confident | 152 Ų | 152 | 62.7 Ų | 62.7 | 71% | 0.71 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.8 | -37.4 | 177.4 | -67 | 177.6 | -0 | 0 | 0 | 112.7 | T219 C225 | T219-Q221 PolarHBondContact O-N 2.91Å; Q221-C225 WeakPolarHBondContact O-CB 3.07Å; Q221-C225 PolarHBondContact O-N 2.92Å |
| 222 | F | 94.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -50.9 | 173.8 | 174.9 | -87.8 | 0 | 0 | 0 | 110.4 | L181 L185 I203 L207 H217 V218 T219 E220 E224 C225 I226 L248 | L181-F222 HydrophobicContact CD1-CE2 4.04Å; L185-F222 HydrophobicContact CD1-CD2 3.65Å; L185-F222 HydrophobicContact CD1-CE2 3.87Å; L185-F222 HydrophobicContact CD2-CB 4.44Å; L185-F222 HydrophobicContact CD2-CD2 3.96Å; L185-F222 HydrophobicContact CG-CD2 4.4Å; I203-F222 HydrophobicContact CG2-CE2 4.05Å; I203-F222 HydrophobicContact CG2-CZ 3.69Å; L207-F222 HydrophobicContact CD1-CZ 4.43Å; L207-F222 HydrophobicContact CD2-CZ 4.38Å; H217-F222 WeakPolarHBondContact O-CB 3.27Å; V218-F222 HydrophobicContact CB-CD1 4.36Å; V218-F222 HydrophobicContact CG1-CD1 4.05Å; V218-F222 HydrophobicContact CG1-CE1 4.37Å; V218-F222 HydrophobicContact CG2-CD1 4.32Å; V218-F222 HydrophobicContact CG2-CE1 4.2Å; T219-F222 WeakPolarHBondContact O-CB 3.1Å; T219-F222 PolarHBondContact O-N 3.11Å; T219-F222 VanDerWaalsContact O-N 3.14Å; T219-F222 PolarHBondContact OG1-N 3Å; E220-F222 PolarHBondContact O-N 3.03Å; F222-E224 PolarHBondContact O-N 3Å; F222-C225 WeakPolarHBondContact O-CB 3.29Å; F222-C225 PolarHBondContact O-N 2.85Å; F222-I226 HydrophobicContact CD1-CG1 4.34Å; F222-I226 HydrophobicContact CE1-CG1 3.93Å; F222-I226 HydrophobicContact CZ-CD1 4.35Å; F222-I226 HydrophobicContact CZ-CG1 4.04Å; F222-I226 WeakPolarHBondContact O-CG1 3.41Å; F222-I226 PolarHBondContact O-N 3.44Å; F222-I226 VanDerWaalsContact O-N 3.07Å; F222-L248 HydrophobicContact CE1-CD2 4.43Å |
| 223 | L | 94.2 | Very high | 90.5 | Very high | 14 Ų | 14 | 63.6 Ų | 63.6 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 179.1 | -65.7 | 177.5 | 0 | 0 | 0 | 111.9 | V218 T219 E220 C225 I226 F227 L248 I256 | V218-L223 HydrophobicContact CG1-CD2 3.95Å; V218-L223 HydrophobicContact CG1-CG 4.24Å; T219-L223 WeakPolarHBondContact O-CG 3.47Å; T219-L223 PolarHBondContact O-N 3.1Å; E220-L223 PolarHBondContact O-N 3.34Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 3.42Å; L223-I226 PolarHBondContact O-N 3.3Å; L223-F227 HydrophobicContact CB-CD2 4.33Å; L223-F227 HydrophobicContact CB-CE2 3.97Å; L223-F227 HydrophobicContact CB-CZ 4.22Å; L223-F227 HydrophobicContact CD2-CE1 4.43Å; L223-F227 HydrophobicContact CD2-CZ 4.02Å; L223-F227 VanDerWaalsContact O-CB 3.26Å; L223-F227 WeakPolarHBondContact O-CB 3.22Å; L223-F227 WeakPolarHBondContact O-CD2 3.31Å; L223-F227 WeakPolarHBondContact O-CG 3.4Å; L223-F227 PolarHBondContact O-N 3.33Å; L223-L248 HydrophobicContact CD2-CD1 3.88Å; L223-L248 HydrophobicContact CD2-CD2 4.2Å; L223-I256 HydrophobicContact CD1-CG2 4.22Å; L223-I256 HydrophobicContact CD2-CG2 3.85Å |
| 224 | E | 94 | Very high | 91 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 61% | 0.612 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.6 | -40.9 | 174 | -78 | 177.9 | 179.9 | 0 | 0 | 112 | E220 F222 S228 | E220-E224 WeakPolarHBondContact O-CB 3.33Å; E220-E224 VanDerWaalsContact O-CG 3.29Å; E220-E224 WeakPolarHBondContact O-CG 3.49Å; E220-E224 PolarHBondContact O-N 3.37Å; F222-E224 PolarHBondContact O-N 3Å; E224-S228 VanDerWaalsContact O-CB 3.29Å; E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 2.86Å |
| 225 | C | 95.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 177.2 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | L185 Q221 F222 L223 S228 | L185-C225 HydrophobicContact CD1-CB 3.94Å; L185-C225 HydrophobicContact CG-CB 4.3Å; Q221-C225 WeakPolarHBondContact O-CB 3.07Å; Q221-C225 PolarHBondContact O-N 2.92Å; F222-C225 WeakPolarHBondContact O-CB 3.29Å; F222-C225 PolarHBondContact O-N 2.85Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 3.42Å; C225-S228 WeakPolarHBondContact O-CB 3.35Å; C225-S228 PolarHBondContact O-N 3.06Å; C225-S228 PolarHBondContact O-OG 3.33Å |
| 226 | I | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -51.1 | 178.1 | -60.8 | -60.5 | 0 | 0 | 0 | 110.7 | L185 V188 L200 I203 F222 L223 S228 R229 L241 A244 | L185-I226 HydrophobicContact CD1-CD1 4.44Å; V188-I226 HydrophobicContact CG1-CD1 4.44Å; V188-I226 HydrophobicContact CG2-CD1 4.32Å; L200-I226 HydrophobicContact CD2-CD1 3.72Å; I203-I226 HydrophobicContact CD1-CD1 4.11Å; I203-I226 HydrophobicContact CG2-CD1 4.35Å; F222-I226 HydrophobicContact CD1-CG1 4.34Å; F222-I226 HydrophobicContact CE1-CG1 3.93Å; F222-I226 HydrophobicContact CZ-CD1 4.35Å; F222-I226 HydrophobicContact CZ-CG1 4.04Å; F222-I226 WeakPolarHBondContact O-CG1 3.41Å; F222-I226 PolarHBondContact O-N 3.44Å; F222-I226 VanDerWaalsContact O-N 3.07Å; L223-I226 PolarHBondContact O-N 3.3Å; I226-S228 PolarHBondContact O-N 2.95Å; I226-R229 WeakPolarHBondContact O-CB 3.5Å; I226-R229 PolarHBondContact O-N 2.83Å; I226-L241 HydrophobicContact CG2-CD1 3.39Å; I226-A244 HydrophobicContact CG2-CB 4.43Å |
| 227 | F | 94.5 | Very high | 92.1 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -23.9 | -178 | -62.3 | -12.6 | 0 | 0 | 0 | 113 | L223 R229 A230 L245 I256 C259 I263 | L223-F227 HydrophobicContact CB-CD2 4.33Å; L223-F227 HydrophobicContact CB-CE2 3.97Å; L223-F227 HydrophobicContact CB-CZ 4.22Å; L223-F227 HydrophobicContact CD2-CE1 4.43Å; L223-F227 HydrophobicContact CD2-CZ 4.02Å; L223-F227 VanDerWaalsContact O-CB 3.26Å; L223-F227 WeakPolarHBondContact O-CB 3.22Å; L223-F227 WeakPolarHBondContact O-CD2 3.31Å; L223-F227 WeakPolarHBondContact O-CG 3.4Å; L223-F227 PolarHBondContact O-N 3.33Å; F227-R229 PolarHBondContact O-N 3.05Å; F227-A230 VanDerWaalsContact O-CB 3.28Å; F227-A230 WeakPolarHBondContact O-CB 3.31Å; F227-A230 PolarHBondContact O-N 3Å; F227-L245 HydrophobicContact CD1-CD2 4.14Å; F227-L245 HydrophobicContact CE1-CD2 3.44Å; F227-L245 VanDerWaalsContact CE1-CD2 3.44Å; F227-L245 HydrophobicContact CZ-CD2 4.29Å; F227-I256 HydrophobicContact CZ-CG2 4.41Å; F227-C259 HydrophobicContact CE2-CB 4Å; F227-C259 HydrophobicContact CZ-CB 4.46Å; F227-I263 HydrophobicContact CZ-CD1 4.08Å |
| 228 | S | 93.8 | Very high | 92.5 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.3 | 172.7 | 81.2 | 0 | 0 | 0 | 0 | 113.3 | E224 C225 I226 | E224-S228 VanDerWaalsContact O-CB 3.29Å; E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 2.86Å; C225-S228 WeakPolarHBondContact O-CB 3.35Å; C225-S228 PolarHBondContact O-N 3.06Å; C225-S228 PolarHBondContact O-OG 3.33Å; I226-S228 PolarHBondContact O-N 2.95Å |
| 229 | R | 94 | Very high | 92.7 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 1.8 | 177.4 | -60.6 | -58.2 | 94.8 | -178.5 | 7.1 | 114.2 | V188 I226 F227 N231 D232 I237 Q238 L241 | V188-R229 HydrophobicContact CG1-CG 3.64Å; V188-R229 WeakPolarHBondContact O-CD 3.3Å; I226-R229 WeakPolarHBondContact O-CB 3.5Å; I226-R229 PolarHBondContact O-N 2.83Å; F227-R229 PolarHBondContact O-N 3.05Å; R229-N231 PolarHBondContact O-N 3.32Å; R229-D232 HydrophobicContact CB-CB 4.48Å; R229-D232 WeakPolarHBondContact CD-OD2 3.5Å; R229-D232 IonicContact NH1-OD2 2.68Å; R229-D232 PolarHBondContact NH1-OD2 3.44Å; R229-D232 WeakPolarHBondContact O-CB 2.88Å; R229-D232 PolarHBondContact O-N 2.95Å; R229-I237 HydrophobicContact CB-CG2 4.22Å; R229-Q238 PolarHBondContact O-NE2 3.03Å; R229-L241 HydrophobicContact CB-CD2 4.36Å |
| 230 | A | 92.1 | Very high | 93 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 22% | 0.223 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F227 Q238 L241 Y266 | F227-A230 VanDerWaalsContact O-CB 3.28Å; F227-A230 WeakPolarHBondContact O-CB 3.31Å; F227-A230 PolarHBondContact O-N 3Å; A230-Q238 PolarHBondContact O-OE1 3.19Å; A230-L241 VanDerWaalsContact CA-CD2 3.45Å; A230-L241 HydrophobicContact CB-CD2 4.24Å; A230-Y266 HydrophobicContact CB-CD2 4.29Å; A230-Y266 HydrophobicContact CB-CE2 4.07Å; A230-Y266 WeakPolarHBondContact O-CE2 3.24Å |
| 231 | N | 90 | Very high | 93.4 | Very high | 150 Ų | 150 | 44.9 Ų | 44.9 | 80% | 0.802 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 20.8 | 176.2 | -59.9 | -59.9 | 0 | 0 | 0 | 112.9 | R229 | R229-N231 PolarHBondContact O-N 3.32Š|
| 232 | D | 93.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | trans | -61.4 | 132 | 175.2 | -153.5 | -69.5 | 0 | 0 | 0 | 109.4 | R196 R229 E234 I237 Q238 | R196-D232 IonicContact CZ-OD1 3.29Å; R196-D232 IonicContact CZ-OD2 2.95Å; R196-D232 IonicContact NE-OD1 3.57Å; R196-D232 IonicContact NE-OD2 2.72Å; R196-D232 PolarHBondContact NE-OD2 3.03Å; R196-D232 IonicContact NH2-OD1 2.69Å; R196-D232 PolarHBondContact NH2-OD1 3.07Å; R196-D232 IonicContact NH2-OD2 3.23Å; R196-D232 PolarHBondContact NH2-OD2 2.64Å; R229-D232 HydrophobicContact CB-CB 4.48Å; R229-D232 WeakPolarHBondContact CD-OD2 3.5Å; R229-D232 IonicContact NH1-OD2 2.68Å; R229-D232 PolarHBondContact NH1-OD2 3.44Å; R229-D232 WeakPolarHBondContact O-CB 2.88Å; R229-D232 PolarHBondContact O-N 2.95Å; D232-E234 PolarHBondContact O-N 3.23Å; D232-E234 PolarHBondContact OD1-N 2.89Å; D232-I237 HydrophobicContact CB-CB 4.12Å; D232-I237 HydrophobicContact CB-CG2 3.67Å; D232-Q238 PolarHBondContact O-NE2 3.28Å; D232-Q238 VanDerWaalsContact O-NE2 3.08Å | ||
| 233 | P | 90.4 | Very high | 93.7 | Very high | 118 Ų | 118 | 40.3 Ų | 40.3 | 77% | 0.766 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -72.2 | -15.1 | -176 | 28.9 | -36.5 | 0 | 0 | 0 | 113.7 | ||
| 234 | E | 92.1 | Very high | 93.8 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 38% | 0.383 | 21% | 0.21 | S | C | . | . | trans | -87.7 | 125.7 | -174.1 | -59.9 | -65 | 156.6 | 0 | 0 | 111.3 | V193 D232 S236 I237 Q238 | V193-E234 HydrophobicContact CB-CG 4.37Å; V193-E234 HydrophobicContact CG1-CB 4Å; V193-E234 HydrophobicContact CG1-CG 3.62Å; V193-E234 HydrophobicContact CG2-CG 3.82Å; D232-E234 PolarHBondContact O-N 3.23Å; D232-E234 PolarHBondContact OD1-N 2.89Å; E234-S236 VanDerWaalsContact C-N 3.35Å; E234-S236 PolarHBondContact O-N 3.43Å; E234-I237 HydrophobicContact CB-CB 4.36Å; E234-I237 HydrophobicContact CB-CG1 3.81Å; E234-I237 WeakPolarHBondContact O-CB 3.45Å; E234-I237 PolarHBondContact O-N 2.91Å; E234-I237 VanDerWaalsContact O-N 3.15Å; E234-Q238 PolarHBondContact O-N 3.11Å | ||
| 235 | A | 89.8 | Confident | 93.9 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 12% | 0.116 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I237 Q238 K239 E292 I296 | A235-I237 PolarHBondContact O-N 3.26Å; A235-Q238 PolarHBondContact O-N 2.93Å; A235-Q238 VanDerWaalsContact O-N 3.09Å; A235-K239 PolarHBondContact O-N 3.2Å; A235-E292 HydrophobicContact CB-CB 3.72Å; A235-I296 HydrophobicContact CB-CD1 3.9Å |
| 236 | S | 91.4 | Very high | 93.9 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -34.8 | 176.7 | 68.2 | 0 | 0 | 0 | 0 | 112.6 | E197 E234 E240 | E197-S236 VanDerWaalsContact OE2-CB 3.29Å; E197-S236 WeakPolarHBondContact OE2-CB 3.28Å; E197-S236 PolarHBondContact OE2-OG 2.82Å; E234-S236 VanDerWaalsContact C-N 3.35Å; E234-S236 PolarHBondContact O-N 3.43Å; S236-E240 WeakPolarHBondContact O-CG 3.35Å; S236-E240 PolarHBondContact O-N 2.93Å |
| 237 | I | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.7 | -41 | 175.6 | -55.6 | -57.5 | 0 | 0 | 0 | 111.1 | R196 E197 L200 R229 D232 E234 A235 K239 E240 L241 | R196-I237 HydrophobicContact CB-CD1 3.62Å; E197-I237 VanDerWaalsContact CA-CD1 3.45Å; E197-I237 HydrophobicContact CB-CD1 3.65Å; L200-I237 HydrophobicContact CD1-CD1 4.4Å; L200-I237 HydrophobicContact CD1-CG2 3.75Å; R229-I237 HydrophobicContact CB-CG2 4.22Å; D232-I237 HydrophobicContact CB-CB 4.12Å; D232-I237 HydrophobicContact CB-CG2 3.67Å; E234-I237 HydrophobicContact CB-CB 4.36Å; E234-I237 HydrophobicContact CB-CG1 3.81Å; E234-I237 WeakPolarHBondContact O-CB 3.45Å; E234-I237 PolarHBondContact O-N 2.91Å; E234-I237 VanDerWaalsContact O-N 3.15Å; A235-I237 PolarHBondContact O-N 3.26Å; I237-K239 VanDerWaalsContact C-N 3.33Å; I237-K239 PolarHBondContact O-N 3.29Å; I237-E240 PolarHBondContact O-N 3.09Å; I237-L241 VanDerWaalsContact O-CB 3.29Å; I237-L241 WeakPolarHBondContact O-CB 3.4Å; I237-L241 PolarHBondContact O-N 2.65Å |
| 238 | Q | 94.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 178.1 | -63.5 | -59.2 | -71.5 | 0 | 0 | 111.8 | R229 A230 D232 E234 A235 L241 C242 Y266 I296 | R229-Q238 PolarHBondContact O-NE2 3.03Å; A230-Q238 PolarHBondContact O-OE1 3.19Å; D232-Q238 PolarHBondContact O-NE2 3.28Å; D232-Q238 VanDerWaalsContact O-NE2 3.08Å; E234-Q238 PolarHBondContact O-N 3.11Å; A235-Q238 PolarHBondContact O-N 2.93Å; A235-Q238 VanDerWaalsContact O-N 3.09Å; Q238-L241 PolarHBondContact O-N 3.5Å; Q238-C242 PolarHBondContact O-N 3.35Å; Q238-C242 PolarHBondContact O-SG 3.16Å; Q238-C242 VanDerWaalsContact O-SG 3.4Å; Q238-Y266 PolarHBondContact OE1-OH 2.6Å; Q238-I296 HydrophobicContact CB-CD1 3.73Å; Q238-I296 HydrophobicContact CB-CG1 4.14Å |
| 239 | K | 94 | Very high | 93.9 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58 | -57.4 | 173.9 | 179.5 | -167.9 | -175 | 163.1 | 0 | 110.9 | A235 I237 L241 C242 R243 D295 I296 E299 | A235-K239 PolarHBondContact O-N 3.2Å; I237-K239 VanDerWaalsContact C-N 3.33Å; I237-K239 PolarHBondContact O-N 3.29Å; K239-L241 PolarHBondContact O-N 3.25Å; K239-C242 WeakPolarHBondContact O-CB 3.46Å; K239-C242 PolarHBondContact O-N 3.23Å; K239-C242 VanDerWaalsContact O-N 3.1Å; K239-R243 PolarHBondContact O-N 3.19Å; K239-R243 VanDerWaalsContact O-N 3.07Å; K239-D295 HydrophobicContact CD-CB 3.68Å; K239-D295 HydrophobicContact CG-CB 4.06Å; K239-D295 IonicContact NZ-OD1 3.47Å; K239-D295 PolarHBondContact NZ-OD1 3.23Å; K239-D295 IonicContact NZ-OD2 2.87Å; K239-D295 PolarHBondContact NZ-OD2 3.37Å; K239-I296 HydrophobicContact CB-CG1 4.03Å; K239-E299 HydrophobicContact CG-CG 3.88Å |
| 240 | E | 95.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -28.4 | -178.8 | -61.5 | -58.4 | 160.3 | 0 | 0 | 112.3 | L200 R201 N204 S236 I237 R243 A244 | L200-E240 HydrophobicContact CB-CB 3.75Å; L200-E240 HydrophobicContact CB-CG 4.43Å; L200-E240 HydrophobicContact CD1-CB 4.17Å; R201-E240 HydrophobicContact CG-CG 3.94Å; R201-E240 WeakPolarHBondContact CG-OE1 3.41Å; R201-E240 IonicContact CZ-OE1 3.2Å; R201-E240 IonicContact NE-OE1 3.86Å; R201-E240 PolarHBondContact NE-OE1 3.2Å; R201-E240 IonicContact NH2-OE1 3.24Å; N204-E240 PolarHBondContact ND2-O 3.29Å; N204-E240 PolarHBondContact ND2-OE2 2.78Å; S236-E240 WeakPolarHBondContact O-CG 3.35Å; S236-E240 PolarHBondContact O-N 2.93Å; I237-E240 PolarHBondContact O-N 3.09Å; E240-R243 IonicContact OE1-NH1 2.97Å; E240-R243 IonicContact OE2-NH1 2.66Å; E240-R243 PolarHBondContact OE2-NH1 3.42Å; E240-A244 WeakPolarHBondContact O-CB 3.33Å; E240-A244 PolarHBondContact O-N 2.72Å |
| 241 | L | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.9 | -41.9 | 173.4 | 179.9 | 59.9 | 0 | 0 | 0 | 112.3 | I226 R229 A230 I237 Q238 K239 R243 A244 L245 Y266 | I226-L241 HydrophobicContact CG2-CD1 3.39Å; R229-L241 HydrophobicContact CB-CD2 4.36Å; A230-L241 VanDerWaalsContact CA-CD2 3.45Å; A230-L241 HydrophobicContact CB-CD2 4.24Å; I237-L241 VanDerWaalsContact O-CB 3.29Å; I237-L241 WeakPolarHBondContact O-CB 3.4Å; I237-L241 PolarHBondContact O-N 2.65Å; Q238-L241 PolarHBondContact O-N 3.5Å; K239-L241 PolarHBondContact O-N 3.25Å; L241-R243 VanDerWaalsContact C-N 3.31Å; L241-R243 PolarHBondContact O-N 3.38Å; L241-A244 PolarHBondContact O-N 3.28Å; L241-L245 HydrophobicContact CD1-CD1 4.47Å; L241-L245 HydrophobicContact CD1-CG 4.41Å; L241-L245 HydrophobicContact CG-CD1 4.31Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.09Å; L241-L245 PolarHBondContact O-N 3.47Å; L241-Y266 HydrophobicContact CD2-CE2 4.48Å; L241-Y266 WeakPolarHBondContact CD2-OH 3.43Å |
| 242 | C | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 173.2 | -71.5 | 0 | 0 | 0 | 0 | 110.5 | Q238 K239 A244 L245 T246 M267 E299 | Q238-C242 PolarHBondContact O-N 3.35Å; Q238-C242 PolarHBondContact O-SG 3.16Å; Q238-C242 VanDerWaalsContact O-SG 3.4Å; K239-C242 WeakPolarHBondContact O-CB 3.46Å; K239-C242 PolarHBondContact O-N 3.23Å; K239-C242 VanDerWaalsContact O-N 3.1Å; C242-A244 PolarHBondContact O-N 2.66Å; C242-L245 WeakPolarHBondContact O-CB 3.41Å; C242-L245 PolarHBondContact O-N 3.01Å; C242-L245 VanDerWaalsContact O-N 3.13Å; C242-T246 PolarHBondContact O-N 3.32Å; C242-T246 PolarHBondContact O-OG1 3.48Å; C242-M267 HydrophobicContact CB-CE 4.11Å; C242-M267 HydrophobicContact CB-SD 4.45Å; C242-M267 WeakPolarHBondContact O-CE 3.21Å; C242-E299 HydrophobicContact CB-CB 3.47Å; C242-E299 VanDerWaalsContact CB-CB 3.47Å; C242-E299 HydrophobicContact CB-CG 4.46Å |
| 243 | R | 95.9 | Very high | 93.3 | Very high | 59 Ų | 59 | 25.9 Ų | 25.9 | 22% | 0.223 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.8 | -47 | 175.7 | -168.2 | 173.1 | -66.9 | 169.9 | -14.3 | 113.1 | K239 E240 L241 L245 T246 Y247 E299 | K239-R243 PolarHBondContact O-N 3.19Å; K239-R243 VanDerWaalsContact O-N 3.07Å; E240-R243 IonicContact OE1-NH1 2.97Å; E240-R243 IonicContact OE2-NH1 2.66Å; E240-R243 PolarHBondContact OE2-NH1 3.42Å; L241-R243 VanDerWaalsContact C-N 3.31Å; L241-R243 PolarHBondContact O-N 3.38Å; R243-L245 VanDerWaalsContact C-N 3.26Å; R243-L245 PolarHBondContact O-N 2.99Å; R243-T246 WeakPolarHBondContact O-CB 3.39Å; R243-T246 PolarHBondContact O-N 2.94Å; R243-T246 VanDerWaalsContact O-N 3.16Å; R243-Y247 HydrophobicContact CG-CD2 4.04Å; R243-Y247 HydrophobicContact CG-CE2 3.51Å; R243-Y247 PolarHBondContact O-N 3.49Å; R243-E299 WeakPolarHBondContact CB-OE2 3.29Å; R243-E299 WeakPolarHBondContact CG-OE2 3.18Å; R243-E299 IonicContact CZ-OE1 3.78Å; R243-E299 IonicContact CZ-OE2 2.68Å; R243-E299 IonicContact NE-OE1 2.54Å; R243-E299 PolarHBondContact NE-OE1 2.95Å; R243-E299 IonicContact NE-OE2 3.81Å; R243-E299 PolarHBondContact NE-OE2 3.01Å; R243-E299 IonicContact NH2-OE1 3.68Å; R243-E299 PolarHBondContact NH2-OE1 3.45Å; R243-E299 IonicContact NH2-OE2 3.32Å |
| 244 | A | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N204 L207 I226 E240 L241 C242 L248 | N204-A244 WeakPolarHBondContact OD1-CA 3.3Å; N204-A244 WeakPolarHBondContact OD1-CB 3.14Å; N204-A244 PolarHBondContact OD1-N 3.47Å; L207-A244 HydrophobicContact CD1-CB 4.22Å; I226-A244 HydrophobicContact CG2-CB 4.43Å; E240-A244 WeakPolarHBondContact O-CB 3.33Å; E240-A244 PolarHBondContact O-N 2.72Å; L241-A244 PolarHBondContact O-N 3.28Å; C242-A244 PolarHBondContact O-N 2.66Å; A244-L248 WeakPolarHBondContact O-CB 3.36Å; A244-L248 WeakPolarHBondContact O-CD1 3.23Å; A244-L248 WeakPolarHBondContact O-CG 3.36Å; A244-L248 PolarHBondContact O-N 3.37Å |
| 245 | L | 96.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.6 | -36.7 | 179 | -70 | 171.1 | 0 | 0 | 0 | 112.2 | F227 L241 C242 R243 L249 I263 Y266 M267 | F227-L245 HydrophobicContact CD1-CD2 4.14Å; F227-L245 HydrophobicContact CE1-CD2 3.44Å; F227-L245 VanDerWaalsContact CE1-CD2 3.44Å; F227-L245 HydrophobicContact CZ-CD2 4.29Å; L241-L245 HydrophobicContact CD1-CD1 4.47Å; L241-L245 HydrophobicContact CD1-CG 4.41Å; L241-L245 HydrophobicContact CG-CD1 4.31Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.09Å; L241-L245 PolarHBondContact O-N 3.47Å; C242-L245 WeakPolarHBondContact O-CB 3.41Å; C242-L245 PolarHBondContact O-N 3.01Å; C242-L245 VanDerWaalsContact O-N 3.13Å; R243-L245 VanDerWaalsContact C-N 3.26Å; R243-L245 PolarHBondContact O-N 2.99Å; L245-L249 WeakPolarHBondContact O-CB 3.01Å; L245-L249 PolarHBondContact O-N 2.93Å; L245-I263 HydrophobicContact CB-CG2 4.45Å; L245-I263 HydrophobicContact CD1-CG2 4.37Å; L245-I263 HydrophobicContact CD2-CD1 3.96Å; L245-I263 HydrophobicContact CD2-CG1 3.99Å; L245-I263 HydrophobicContact CD2-CG2 4.26Å; L245-Y266 HydrophobicContact CD1-CD1 3.67Å; L245-Y266 HydrophobicContact CD1-CE1 3.64Å; L245-M267 HydrophobicContact CB-CE 3.45Å; L245-M267 VanDerWaalsContact CB-CE 3.45Å; L245-M267 HydrophobicContact CD1-CE 3.76Å; L245-M267 HydrophobicContact CG-CE 4.24Å |
| 246 | T | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 173 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | C242 R243 L248 L249 E250 E302 N306 | C242-T246 PolarHBondContact O-N 3.32Å; C242-T246 PolarHBondContact O-OG1 3.48Å; R243-T246 WeakPolarHBondContact O-CB 3.39Å; R243-T246 PolarHBondContact O-N 2.94Å; R243-T246 VanDerWaalsContact O-N 3.16Å; T246-L248 PolarHBondContact O-N 3.23Å; T246-L249 VanDerWaalsContact O-CB 3.29Å; T246-L249 WeakPolarHBondContact O-CB 3.27Å; T246-L249 PolarHBondContact O-N 2.85Å; T246-E250 WeakPolarHBondContact CG2-OE1 3.29Å; T246-E250 PolarHBondContact O-N 3.21Å; T246-E302 HydrophobicContact CG2-CB 4.5Å; T246-N306 HydrophobicContact CG2-CB 4.07Å; T246-N306 WeakPolarHBondContact CG2-ND2 3.4Å |
| 247 | Y | 94.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 25.4 Ų | 25.4 | 19% | 0.188 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 176.4 | -65.4 | -29.6 | 0 | 0 | 0 | 113.7 | N204 L207 R243 L249 E250 A251 | N204-Y247 HydrophobicContact CB-CD2 4.19Å; N204-Y247 HydrophobicContact CB-CE2 3.98Å; N204-Y247 WeakPolarHBondContact O-CD2 3.24Å; N204-Y247 WeakPolarHBondContact O-CE2 3.35Å; L207-Y247 HydrophobicContact CB-CD2 4.02Å; L207-Y247 HydrophobicContact CB-CG 4.25Å; R243-Y247 HydrophobicContact CG-CD2 4.04Å; R243-Y247 HydrophobicContact CG-CE2 3.51Å; R243-Y247 PolarHBondContact O-N 3.49Å; Y247-L249 VanDerWaalsContact C-N 3.25Å; Y247-L249 PolarHBondContact O-N 3.5Å; Y247-E250 PolarHBondContact O-N 3.3Å; Y247-A251 PolarHBondContact O-N 3.09Å |
| 248 | L | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -32.7 | 173.4 | -76.3 | 167.4 | 0 | 0 | 0 | 112.2 | L207 V218 F222 L223 A244 T246 H252 I253 I256 | L207-L248 HydrophobicContact CD1-CD2 4.49Å; L207-L248 HydrophobicContact CD1-CG 4.18Å; L207-L248 HydrophobicContact CD2-CD2 3.8Å; L207-L248 HydrophobicContact CD2-CG 4.29Å; V218-L248 HydrophobicContact CG1-CD2 3.81Å; V218-L248 HydrophobicContact CG2-CD2 4.36Å; F222-L248 HydrophobicContact CE1-CD2 4.43Å; L223-L248 HydrophobicContact CD2-CD1 3.88Å; L223-L248 HydrophobicContact CD2-CD2 4.2Å; A244-L248 WeakPolarHBondContact O-CB 3.36Å; A244-L248 WeakPolarHBondContact O-CD1 3.23Å; A244-L248 WeakPolarHBondContact O-CG 3.36Å; A244-L248 PolarHBondContact O-N 3.37Å; T246-L248 PolarHBondContact O-N 3.23Å; L248-H252 HydrophobicContact CD2-CB 4.1Å; L248-H252 CarbonylContact O-C 3.5Å; L248-H252 WeakPolarHBondContact O-CA 3.5Å; L248-H252 WeakPolarHBondContact O-CB 3.37Å; L248-H252 PolarHBondContact O-N 3.29Å; L248-I253 PolarHBondContact O-N 3.37Å; L248-I253 VanDerWaalsContact O-N 3.17Å; L248-I256 HydrophobicContact CB-CD1 4.15Å; L248-I256 HydrophobicContact CB-CG2 4.03Å; L248-I256 HydrophobicContact CD1-CG2 4.3Å; L248-I256 HydrophobicContact CD2-CG2 4.46Å |
| 249 | L | 93.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.7 | -45.6 | 174.8 | 179.9 | 70.9 | 0 | 0 | 0 | 111.6 | L245 T246 Y247 I253 I256 L260 F303 F307 | L245-L249 WeakPolarHBondContact O-CB 3.01Å; L245-L249 PolarHBondContact O-N 2.93Å; T246-L249 VanDerWaalsContact O-CB 3.29Å; T246-L249 WeakPolarHBondContact O-CB 3.27Å; T246-L249 PolarHBondContact O-N 2.85Å; Y247-L249 VanDerWaalsContact C-N 3.25Å; Y247-L249 PolarHBondContact O-N 3.5Å; L249-I253 HydrophobicContact CD1-CD1 3.82Å; L249-I253 HydrophobicContact CD1-CG1 4.13Å; L249-I253 WeakPolarHBondContact O-CB 3.35Å; L249-I256 HydrophobicContact CB-CD1 4.17Å; L249-I256 HydrophobicContact CD1-CD1 4.33Å; L249-L260 HydrophobicContact CD1-CD2 3.84Å; L249-F303 HydrophobicContact CB-CE2 4.12Å; L249-F303 HydrophobicContact CD2-CD2 3.87Å; L249-F303 HydrophobicContact CD2-CE1 4.5Å; L249-F303 HydrophobicContact CD2-CE2 3.56Å; L249-F303 HydrophobicContact CD2-CG 4.49Å; L249-F303 HydrophobicContact CD2-CZ 3.89Å; L249-F303 HydrophobicContact CG-CE2 4.29Å; L249-F307 HydrophobicContact CD1-CD2 3.63Å; L249-F307 HydrophobicContact CD1-CE2 3.87Å; L249-F307 HydrophobicContact CD1-CG 4.39Å; L249-F307 VanDerWaalsContact CD2-CA 3.41Å; L249-F307 HydrophobicContact CD2-CB 3.59Å; L249-F307 HydrophobicContact CD2-CD2 3.89Å; L249-F307 HydrophobicContact CD2-CG 3.9Å; L249-F307 HydrophobicContact CG-CD2 4.27Å |
| 250 | E | 90.4 | Very high | 93.3 | Very high | 70 Ų | 70 | 30 Ų | 30 | 33% | 0.327 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.6 | -51.2 | -178.3 | -70.9 | 170.9 | -141 | 0 | 0 | 112.3 | T246 Y247 N306 H371 | T246-E250 WeakPolarHBondContact CG2-OE1 3.29Å; T246-E250 PolarHBondContact O-N 3.21Å; Y247-E250 PolarHBondContact O-N 3.3Å; E250-N306 VanDerWaalsContact CD-OD1 3.29Å; E250-N306 HydrophobicContact CG-CB 3.84Å; E250-N306 PolarHBondContact OE1-ND2 3.36Å; E250-N306 PolarHBondContact OE1-OD1 3.08Å; E250-H371 IonicContact OE1-CE1 2.65Å; E250-H371 IonicContact OE2-CE1 3.8Å; E250-H371 IonicContact OE2-ND1 2.92Å |
| 251 | A | 87.8 | Confident | 93.3 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -101.4 | -17.6 | -170 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y247 | Y247-A251 PolarHBondContact O-N 3.09Å |
| 252 | H | 88.4 | Confident | 93.2 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -138.8 | 29.7 | -166.7 | -59.2 | -52.6 | 0 | 0 | 0 | 113.9 | L248 D254 K255 I256 | L248-H252 HydrophobicContact CD2-CB 4.1Å; L248-H252 CarbonylContact O-C 3.5Å; L248-H252 WeakPolarHBondContact O-CA 3.5Å; L248-H252 WeakPolarHBondContact O-CB 3.37Å; L248-H252 PolarHBondContact O-N 3.29Å; H252-D254 PolarHBondContact O-N 3.49Å; H252-D254 VanDerWaalsContact O-N 3.1Å; H252-K255 HydrophobicContact CB-CG 4.47Å; H252-K255 WeakPolarHBondContact O-CB 3.33Å; H252-K255 PolarHBondContact O-N 2.89Å; H252-I256 PolarHBondContact O-N 3.24Å |
| 253 | I | 90.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -51.9 | -39.3 | -175.4 | -166.2 | 162.7 | 0 | 0 | 0 | 113.7 | L248 L249 K255 I256 A257 L260 A310 Y313 | L248-I253 PolarHBondContact O-N 3.37Å; L248-I253 VanDerWaalsContact O-N 3.17Å; L249-I253 HydrophobicContact CD1-CD1 3.82Å; L249-I253 HydrophobicContact CD1-CG1 4.13Å; L249-I253 WeakPolarHBondContact O-CB 3.35Å; I253-K255 PolarHBondContact O-N 2.78Å; I253-I256 CarbonylContact O-C 3.46Å; I253-I256 WeakPolarHBondContact O-CG1 3.16Å; I253-I256 PolarHBondContact O-N 3.29Å; I253-A257 WeakPolarHBondContact O-CA 3.01Å; I253-A257 WeakPolarHBondContact O-CB 3.48Å; I253-A257 PolarHBondContact O-N 3.36Å; I253-L260 HydrophobicContact CD1-CD1 4.47Å; I253-L260 HydrophobicContact CG1-CD1 4.23Å; I253-A310 HydrophobicContact CD1-CB 3.27Å; I253-Y313 HydrophobicContact CD1-CD2 3.36Å; I253-Y313 HydrophobicContact CD1-CE2 3.76Å; I253-Y313 HydrophobicContact CD1-CG 4.11Å; I253-Y313 HydrophobicContact CG1-CD2 4.03Å; I253-Y313 HydrophobicContact CG1-CE2 3.99Å |
| 254 | D | 89.5 | Confident | 93.3 | Very high | 114 Ų | 114 | 36 Ų | 36 | 61% | 0.61 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61.4 | -30.4 | -179.8 | -66.3 | -34.4 | 0 | 0 | 0 | 113 | H252 | H252-D254 PolarHBondContact O-N 3.49Å; H252-D254 VanDerWaalsContact O-N 3.1Å |
| 255 | K | 89.6 | Confident | 93.3 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -77.8 | -33.9 | 179.5 | -60.1 | -65.7 | -171 | 166.7 | 0 | 111.8 | Q215 V218 H252 I253 | Q215-K255 VanDerWaalsContact O-CE 3.31Å; Q215-K255 WeakPolarHBondContact O-CE 3.49Å; Q215-K255 PolarHBondContact O-NZ 2.84Å; V218-K255 HydrophobicContact CG1-CB 4.05Å; V218-K255 HydrophobicContact CG1-CG 4.18Å; H252-K255 HydrophobicContact CB-CG 4.47Å; H252-K255 WeakPolarHBondContact O-CB 3.33Å; H252-K255 PolarHBondContact O-N 2.89Å; I253-K255 PolarHBondContact O-N 2.78Å |
| 256 | I | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -97.4 | -7.4 | -179.3 | 64.8 | 163.1 | 0 | 0 | 0 | 113.3 | L223 F227 L248 L249 H252 I253 P258 C259 L260 I263 | L223-I256 HydrophobicContact CD1-CG2 4.22Å; L223-I256 HydrophobicContact CD2-CG2 3.85Å; F227-I256 HydrophobicContact CZ-CG2 4.41Å; L248-I256 HydrophobicContact CB-CD1 4.15Å; L248-I256 HydrophobicContact CB-CG2 4.03Å; L248-I256 HydrophobicContact CD1-CG2 4.3Å; L248-I256 HydrophobicContact CD2-CG2 4.46Å; L249-I256 HydrophobicContact CB-CD1 4.17Å; L249-I256 HydrophobicContact CD1-CD1 4.33Å; H252-I256 PolarHBondContact O-N 3.24Å; I253-I256 CarbonylContact O-C 3.46Å; I253-I256 WeakPolarHBondContact O-CG1 3.16Å; I253-I256 PolarHBondContact O-N 3.29Å; I256-P258 VanDerWaalsContact C-N 3.32Å; I256-P258 VanDerWaalsContact O-N 3.17Å; I256-C259 CarbonylContact O-C 3.58Å; I256-C259 WeakPolarHBondContact O-CA 3.38Å; I256-C259 WeakPolarHBondContact O-CB 3.46Å; I256-C259 PolarHBondContact O-N 3.18Å; I256-L260 HydrophobicContact CD1-CD2 3.81Å; I256-L260 HydrophobicContact CG1-CD2 4.16Å; I256-L260 PolarHBondContact O-N 3.42Å; I256-I263 HydrophobicContact CB-CD1 3.99Å; I256-I263 HydrophobicContact CD1-CD1 3.95Å; I256-I263 HydrophobicContact CG1-CD1 4.49Å |
| 257 | A | 93.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -47.4 | -44.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | I253 C259 L260 Y313 | I253-A257 WeakPolarHBondContact O-CA 3.01Å; I253-A257 WeakPolarHBondContact O-CB 3.48Å; I253-A257 PolarHBondContact O-N 3.36Å; A257-C259 PolarHBondContact O-N 3.44Å; A257-L260 HydrophobicContact CB-CD1 4.43Å; A257-L260 PolarHBondContact O-N 3.06Å; A257-Y313 HydrophobicContact CB-CE1 4.06Å |
| 258 | P | 93.1 | Very high | 93.4 | Very high | 100 Ų | 100 | 37.1 Ų | 37.1 | 65% | 0.649 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -64.3 | -23.9 | 176.8 | -21.7 | 34.6 | 0 | 0 | 0 | 114.4 | I256 | I256-P258 VanDerWaalsContact C-N 3.32Å; I256-P258 VanDerWaalsContact O-N 3.17Å |
| 259 | C | 93.9 | Very high | 93.3 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -101.9 | -6.5 | -176 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | F227 I256 A257 P261 Q262 I263 | F227-C259 HydrophobicContact CE2-CB 4Å; F227-C259 HydrophobicContact CZ-CB 4.46Å; I256-C259 CarbonylContact O-C 3.58Å; I256-C259 WeakPolarHBondContact O-CA 3.38Å; I256-C259 WeakPolarHBondContact O-CB 3.46Å; I256-C259 PolarHBondContact O-N 3.18Å; A257-C259 PolarHBondContact O-N 3.44Å; C259-P261 VanDerWaalsContact C-CD 3.42Å; C259-P261 VanDerWaalsContact C-N 3.33Å; C259-Q262 WeakPolarHBondContact O-CB 3.48Å; C259-Q262 PolarHBondContact O-N 2.92Å; C259-Q262 PolarHBondContact O-OE1 3.16Å; C259-Q262 VanDerWaalsContact O-OE1 3.07Å; C259-I263 HydrophobicContact CB-CD1 4.22Å; C259-I263 WeakPolarHBondContact O-CG1 3.47Å; C259-I263 PolarHBondContact O-N 3.07Å |
| 260 | L | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.4 | -41 | -178.9 | -77.2 | 175.5 | 0 | 0 | 0 | 113.4 | L249 I253 I256 A257 Q262 I263 V264 F307 Y313 L317 | L249-L260 HydrophobicContact CD1-CD2 3.84Å; I253-L260 HydrophobicContact CD1-CD1 4.47Å; I253-L260 HydrophobicContact CG1-CD1 4.23Å; I256-L260 HydrophobicContact CD1-CD2 3.81Å; I256-L260 HydrophobicContact CG1-CD2 4.16Å; I256-L260 PolarHBondContact O-N 3.42Å; A257-L260 HydrophobicContact CB-CD1 4.43Å; A257-L260 PolarHBondContact O-N 3.06Å; L260-Q262 VanDerWaalsContact C-N 3.28Å; L260-Q262 PolarHBondContact O-N 2.96Å; L260-I263 PolarHBondContact O-N 3.32Å; L260-V264 WeakPolarHBondContact O-CB 3.38Å; L260-V264 VanDerWaalsContact O-CG2 3.24Å; L260-V264 WeakPolarHBondContact O-CG2 3.46Å; L260-V264 PolarHBondContact O-N 3.02Å; L260-F307 HydrophobicContact CD1-CE2 4.45Å; L260-F307 HydrophobicContact CD1-CZ 4.45Å; L260-F307 HydrophobicContact CD2-CZ 4.45Å; L260-Y313 HydrophobicContact CD1-CD1 3.87Å; L260-Y313 HydrophobicContact CD1-CE1 4.44Å; L260-Y313 HydrophobicContact CD1-CG 3.98Å; L260-L317 HydrophobicContact CB-CD1 3.61Å; L260-L317 HydrophobicContact CD1-CD1 4.07Å; L260-L317 HydrophobicContact CG-CD1 4.47Å |
| 261 | P | 95.8 | Very high | 93.4 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.5 | -38 | 176.4 | -25.2 | 34.8 | 0 | 0 | 0 | 113.8 | C259 S265 L317 | C259-P261 VanDerWaalsContact C-CD 3.42Å; C259-P261 VanDerWaalsContact C-N 3.33Å; P261-S265 PolarHBondContact O-N 3.15Å; P261-S265 VanDerWaalsContact O-N 3.14Å; P261-S265 PolarHBondContact O-OG 3.28Å; P261-L317 HydrophobicContact CG-CD2 3.97Å |
| 262 | Q | 95.2 | Very high | 93.4 | Very high | 120 Ų | 120 | 40.8 Ų | 40.8 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -73 | -42.2 | 176.9 | -64.6 | 82.2 | -10.5 | 0 | 0 | 110.8 | C259 L260 S265 Y266 | C259-Q262 WeakPolarHBondContact O-CB 3.48Å; C259-Q262 PolarHBondContact O-N 2.92Å; C259-Q262 PolarHBondContact O-OE1 3.16Å; C259-Q262 VanDerWaalsContact O-OE1 3.07Å; L260-Q262 VanDerWaalsContact C-N 3.28Å; L260-Q262 PolarHBondContact O-N 2.96Å; Q262-S265 WeakPolarHBondContact O-CB 3.49Å; Q262-S265 PolarHBondContact O-N 3.23Å; Q262-Y266 WeakPolarHBondContact O-CB 3.45Å; Q262-Y266 PolarHBondContact O-N 3.37Å |
| 263 | I | 96.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 176 | -65 | 168.9 | 0 | 0 | 0 | 110.4 | F227 L245 I256 C259 L260 S265 Y266 M267 F303 | F227-I263 HydrophobicContact CZ-CD1 4.08Å; L245-I263 HydrophobicContact CB-CG2 4.45Å; L245-I263 HydrophobicContact CD1-CG2 4.37Å; L245-I263 HydrophobicContact CD2-CD1 3.96Å; L245-I263 HydrophobicContact CD2-CG1 3.99Å; L245-I263 HydrophobicContact CD2-CG2 4.26Å; I256-I263 HydrophobicContact CB-CD1 3.99Å; I256-I263 HydrophobicContact CD1-CD1 3.95Å; I256-I263 HydrophobicContact CG1-CD1 4.49Å; C259-I263 HydrophobicContact CB-CD1 4.22Å; C259-I263 WeakPolarHBondContact O-CG1 3.47Å; C259-I263 PolarHBondContact O-N 3.07Å; L260-I263 PolarHBondContact O-N 3.32Å; I263-S265 VanDerWaalsContact C-N 3.29Å; I263-S265 PolarHBondContact O-N 3.09Å; I263-Y266 WeakPolarHBondContact O-CB 3.47Å; I263-Y266 PolarHBondContact O-N 2.96Å; I263-Y266 VanDerWaalsContact O-N 3.16Å; I263-M267 HydrophobicContact CG2-CG 4.26Å; I263-M267 WeakPolarHBondContact O-CB 3.42Å; I263-M267 WeakPolarHBondContact O-CG 3.38Å; I263-M267 PolarHBondContact O-N 3.07Å; I263-F303 HydrophobicContact CG2-CE2 3.63Å; I263-F303 HydrophobicContact CG2-CZ 3.64Å |
| 264 | V | 96.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 175 | 170.2 | 0 | 0 | 0 | 0 | 111 | L260 Y266 M267 I268 W304 F307 L318 | L260-V264 WeakPolarHBondContact O-CB 3.38Å; L260-V264 VanDerWaalsContact O-CG2 3.24Å; L260-V264 WeakPolarHBondContact O-CG2 3.46Å; L260-V264 PolarHBondContact O-N 3.02Å; V264-Y266 VanDerWaalsContact C-N 3.35Å; V264-M267 PolarHBondContact O-N 3.33Å; V264-I268 HydrophobicContact CG1-CD1 3.87Å; V264-I268 WeakPolarHBondContact O-CB 3.4Å; V264-I268 WeakPolarHBondContact O-CG1 3.37Å; V264-I268 PolarHBondContact O-N 3.33Å; V264-W304 HydrophobicContact CG1-CH2 4.09Å; V264-W304 HydrophobicContact CG1-CZ3 4.26Å; V264-F307 HydrophobicContact CG2-CD1 4.43Å; V264-F307 HydrophobicContact CG2-CE1 3.62Å; V264-F307 HydrophobicContact CG2-CZ 4.35Å; V264-L318 HydrophobicContact CG1-CD2 3.76Å; V264-L318 HydrophobicContact CG2-CD2 4.02Å |
| 265 | S | 96.4 | Very high | 90.4 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 36% | 0.357 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | P261 Q262 I263 Q269 R321 | P261-S265 PolarHBondContact O-N 3.15Å; P261-S265 VanDerWaalsContact O-N 3.14Å; P261-S265 PolarHBondContact O-OG 3.28Å; Q262-S265 WeakPolarHBondContact O-CB 3.49Å; Q262-S265 PolarHBondContact O-N 3.23Å; I263-S265 VanDerWaalsContact C-N 3.29Å; I263-S265 PolarHBondContact O-N 3.09Å; S265-Q269 PolarHBondContact O-N 3.07Å; S265-R321 VanDerWaalsContact CA-NH1 3.34Å; S265-R321 PolarHBondContact OG-NH1 3Å |
| 266 | Y | 96 | Very high | 88.6 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 9% | 0.086 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 175.6 | 174.2 | -94.5 | 0 | 0 | 0 | 111.2 | A230 Q238 L241 L245 Q262 I263 V264 I268 Q269 K270 | A230-Y266 HydrophobicContact CB-CD2 4.29Å; A230-Y266 HydrophobicContact CB-CE2 4.07Å; A230-Y266 WeakPolarHBondContact O-CE2 3.24Å; Q238-Y266 PolarHBondContact OE1-OH 2.6Å; L241-Y266 HydrophobicContact CD2-CE2 4.48Å; L241-Y266 WeakPolarHBondContact CD2-OH 3.43Å; L245-Y266 HydrophobicContact CD1-CD1 3.67Å; L245-Y266 HydrophobicContact CD1-CE1 3.64Å; Q262-Y266 WeakPolarHBondContact O-CB 3.45Å; Q262-Y266 PolarHBondContact O-N 3.37Å; I263-Y266 WeakPolarHBondContact O-CB 3.47Å; I263-Y266 PolarHBondContact O-N 2.96Å; I263-Y266 VanDerWaalsContact O-N 3.16Å; V264-Y266 VanDerWaalsContact C-N 3.35Å; Y266-I268 PolarHBondContact O-N 2.91Å; Y266-Q269 WeakPolarHBondContact O-CB 3.5Å; Y266-Q269 PolarHBondContact O-N 2.86Å; Y266-Q269 VanDerWaalsContact O-N 3.1Å; Y266-K270 HydrophobicContact CD1-CG 4.17Å; Y266-K270 HydrophobicContact CE1-CG 3.77Å; Y266-K270 HydrophobicContact CE2-CD 4.33Å; Y266-K270 HydrophobicContact CE2-CG 4.24Å; Y266-K270 WeakPolarHBondContact O-CG 3.45Å; Y266-K270 PolarHBondContact O-N 3.23Å; Y266-K270 WeakPolarHBondContact OH-CE 3.47Å |
| 267 | M | 96.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 179.3 | -71.1 | -62.1 | -169.6 | 0 | 0 | 112 | C242 L245 I263 V264 Q269 K270 T271 A300 F303 W304 | C242-M267 HydrophobicContact CB-CE 4.11Å; C242-M267 HydrophobicContact CB-SD 4.45Å; C242-M267 WeakPolarHBondContact O-CE 3.21Å; L245-M267 HydrophobicContact CB-CE 3.45Å; L245-M267 VanDerWaalsContact CB-CE 3.45Å; L245-M267 HydrophobicContact CD1-CE 3.76Å; L245-M267 HydrophobicContact CG-CE 4.24Å; I263-M267 HydrophobicContact CG2-CG 4.26Å; I263-M267 WeakPolarHBondContact O-CB 3.42Å; I263-M267 WeakPolarHBondContact O-CG 3.38Å; I263-M267 PolarHBondContact O-N 3.07Å; V264-M267 PolarHBondContact O-N 3.33Å; M267-Q269 VanDerWaalsContact C-N 3.3Å; M267-Q269 PolarHBondContact O-N 3.42Å; M267-K270 PolarHBondContact O-N 3.11Å; M267-K270 VanDerWaalsContact O-N 3.13Å; M267-T271 PolarHBondContact O-N 2.79Å; M267-T271 PolarHBondContact O-OG1 3.29Å; M267-A300 HydrophobicContact SD-CB 4.05Å; M267-F303 HydrophobicContact CB-CD1 3.89Å; M267-F303 HydrophobicContact CB-CE1 4.21Å; M267-F303 HydrophobicContact CB-CG 4.4Å; M267-F303 HydrophobicContact CE-CB 3.83Å; M267-F303 HydrophobicContact CE-CD2 3.59Å; M267-F303 HydrophobicContact CE-CE2 4.31Å; M267-F303 HydrophobicContact CE-CG 3.76Å; M267-F303 HydrophobicContact CG-CB 4.23Å; M267-F303 HydrophobicContact CG-CD1 3.59Å; M267-F303 HydrophobicContact CG-CD2 4.05Å; M267-F303 HydrophobicContact CG-CE1 3.91Å; M267-F303 HydrophobicContact CG-CE2 4.31Å; M267-F303 HydrophobicContact CG-CG 3.67Å; M267-F303 HydrophobicContact CG-CZ 4.26Å; M267-F303 HydrophobicContact SD-CB 3.99Å; M267-F303 HydrophobicContact SD-CD1 4.46Å; M267-F303 HydrophobicContact SD-CD2 4.42Å; M267-F303 HydrophobicContact SD-CG 4.04Å; M267-W304 HydrophobicContact CB-CH2 3.6Å; M267-W304 HydrophobicContact CB-CZ2 3.52Å; M267-W304 HydrophobicContact CB-CZ3 4.46Å |
| 268 | I | 95.3 | Very high | 84.6 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 172.7 | -76.6 | 163.2 | 0 | 0 | 0 | 110.7 | V264 Y266 K270 Q272 W304 R321 E324 I325 | V264-I268 HydrophobicContact CG1-CD1 3.87Å; V264-I268 WeakPolarHBondContact O-CB 3.4Å; V264-I268 WeakPolarHBondContact O-CG1 3.37Å; V264-I268 PolarHBondContact O-N 3.33Å; Y266-I268 PolarHBondContact O-N 2.91Å; I268-K270 VanDerWaalsContact C-N 3.32Å; I268-K270 PolarHBondContact O-N 2.93Å; I268-Q272 VanDerWaalsContact O-CB 3.31Å; I268-Q272 WeakPolarHBondContact O-CB 3.49Å; I268-Q272 WeakPolarHBondContact O-CG 3.46Å; I268-Q272 PolarHBondContact O-N 3.33Å; I268-W304 HydrophobicContact CB-CZ2 4.48Å; I268-W304 HydrophobicContact CD1-CH2 4.42Å; I268-W304 HydrophobicContact CG1-CH2 3.73Å; I268-W304 HydrophobicContact CG1-CZ2 3.72Å; I268-R321 HydrophobicContact CD1-CB 4.33Å; I268-R321 VanDerWaalsContact CD1-NH2 3.3Å; I268-E324 HydrophobicContact CD1-CB 4.28Å; I268-E324 HydrophobicContact CG2-CB 4.15Å; I268-I325 HydrophobicContact CD1-CD1 4.1Å; I268-I325 HydrophobicContact CD1-CG1 3.7Å; I268-I325 HydrophobicContact CG1-CD1 4.38Å; I268-I325 HydrophobicContact CG1-CG1 3.63Å |
| 269 | Q | 93.3 | Very high | 82.7 | Confident | 111 Ų | 111 | 50.8 Ų | 50.8 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 177 | -176.1 | -172.3 | 6.5 | 0 | 0 | 111.6 | S265 Y266 M267 Q272 A273 | S265-Q269 PolarHBondContact O-N 3.07Å; Y266-Q269 WeakPolarHBondContact O-CB 3.5Å; Y266-Q269 PolarHBondContact O-N 2.86Å; Y266-Q269 VanDerWaalsContact O-N 3.1Å; M267-Q269 VanDerWaalsContact C-N 3.3Å; M267-Q269 PolarHBondContact O-N 3.42Å; Q269-Q272 PolarHBondContact O-N 2.97Å; Q269-A273 PolarHBondContact O-N 3.09Å |
| 270 | K | 92.6 | Very high | 80.6 | Confident | 30 Ų | 30 | 54 Ų | 54 | 13% | 0.13 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.8 | -43.2 | -179.7 | -64 | -46.5 | -175.3 | 178.6 | 0 | 112.8 | Y266 M267 I268 Q272 A273 I296 A300 | Y266-K270 HydrophobicContact CD1-CG 4.17Å; Y266-K270 HydrophobicContact CE1-CG 3.77Å; Y266-K270 HydrophobicContact CE2-CD 4.33Å; Y266-K270 HydrophobicContact CE2-CG 4.24Å; Y266-K270 WeakPolarHBondContact O-CG 3.45Å; Y266-K270 PolarHBondContact O-N 3.23Å; Y266-K270 WeakPolarHBondContact OH-CE 3.47Å; M267-K270 PolarHBondContact O-N 3.11Å; M267-K270 VanDerWaalsContact O-N 3.13Å; I268-K270 VanDerWaalsContact C-N 3.32Å; I268-K270 PolarHBondContact O-N 2.93Å; K270-Q272 PolarHBondContact O-N 3.11Å; K270-A273 VanDerWaalsContact O-CB 3.25Å; K270-A273 WeakPolarHBondContact O-CB 3.04Å; K270-A273 PolarHBondContact O-N 3.39Å; K270-A273 VanDerWaalsContact O-N 3.11Å; K270-I296 HydrophobicContact CB-CG2 4.1Å; K270-I296 HydrophobicContact CD-CG2 4.11Å; K270-I296 HydrophobicContact CG-CG2 4.29Å; K270-A300 HydrophobicContact CB-CB 3.8Å |
| 271 | T | 92.2 | Very high | 78.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -34.4 | 172.1 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | M267 W304 | M267-T271 PolarHBondContact O-N 2.79Å; M267-T271 PolarHBondContact O-OG1 3.29Å; T271-W304 PolarHBondContact OG1-NE1 3.37Å |
| 272 | Q | 88.8 | Confident | 75.9 | Confident | 41 Ų | 41 | 58 Ų | 58 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -82 | -10.6 | 177.9 | -70.1 | 175.1 | 3.2 | 0 | 0 | 114.4 | I268 Q269 K270 R274 F275 E324 S328 | I268-Q272 VanDerWaalsContact O-CB 3.31Å; I268-Q272 WeakPolarHBondContact O-CB 3.49Å; I268-Q272 WeakPolarHBondContact O-CG 3.46Å; I268-Q272 PolarHBondContact O-N 3.33Å; Q269-Q272 PolarHBondContact O-N 2.97Å; K270-Q272 PolarHBondContact O-N 3.11Å; Q272-R274 VanDerWaalsContact C-N 3.27Å; Q272-R274 PolarHBondContact O-N 3.2Å; Q272-F275 WeakPolarHBondContact O-CB 3.49Å; Q272-F275 PolarHBondContact O-N 2.87Å; Q272-E324 PolarHBondContact NE2-O 3.19Å; Q272-E324 VanDerWaalsContact NE2-O 3.09Å; Q272-S328 VanDerWaalsContact CG-OG 3.29Å; Q272-S328 WeakPolarHBondContact CG-OG 3.39Å |
| 273 | A | 75.9 | Confident | 73.9 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.3 | -36.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q269 K270 F275 Y276 | Q269-A273 PolarHBondContact O-N 3.09Å; K270-A273 VanDerWaalsContact O-CB 3.25Å; K270-A273 WeakPolarHBondContact O-CB 3.04Å; K270-A273 PolarHBondContact O-N 3.39Å; K270-A273 VanDerWaalsContact O-N 3.11Å; A273-F275 PolarHBondContact O-N 3.47Å; A273-Y276 PolarHBondContact O-N 2.68Å |
| 274 | R | 66.7 | Low | 71.8 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 19% | 0.185 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -49.8 | -33.4 | 172.9 | -167.8 | 172.7 | 179.6 | 131.3 | 17.5 | 113.3 | Q272 F289 E294 V297 T336 | Q272-R274 VanDerWaalsContact C-N 3.27Å; Q272-R274 PolarHBondContact O-N 3.2Å; R274-F289 HydrophobicContact CB-CE2 4.41Å; R274-F289 HydrophobicContact CB-CZ 3.9Å; R274-F289 HydrophobicContact CG-CE1 4.12Å; R274-F289 HydrophobicContact CG-CE2 4.36Å; R274-F289 HydrophobicContact CG-CZ 3.75Å; R274-E294 IonicContact CZ-OE1 3.74Å; R274-E294 VanDerWaalsContact CZ-OE1 3.23Å; R274-E294 IonicContact NH1-OE1 3.88Å; R274-E294 PolarHBondContact NH1-OE1 2.96Å; R274-E294 IonicContact NH2-OE1 3.86Å; R274-E294 PolarHBondContact NH2-OE1 3.48Å; R274-V297 HydrophobicContact CB-CG2 4.06Å; R274-T336 VanDerWaalsContact NH2-CG2 3.34Å |
| 275 | F | 61.4 | Low | 69.5 | Low | 67 Ų | 67 | 72 Ų | 72 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -88.7 | -35.9 | -168 | -139.1 | -102.7 | 0 | 0 | 0 | 114.2 | Q272 A273 A277 L278 I279 R331 | Q272-F275 WeakPolarHBondContact O-CB 3.49Å; Q272-F275 PolarHBondContact O-N 2.87Å; A273-F275 PolarHBondContact O-N 3.47Å; F275-A277 PolarHBondContact O-N 3.49Å; F275-L278 PolarHBondContact O-N 3.04Å; F275-I279 HydrophobicContact CD1-CD1 3.58Å; F275-I279 HydrophobicContact CD1-CG1 3.98Å; F275-I279 HydrophobicContact CE1-CD1 3.67Å; F275-I279 HydrophobicContact CE1-CG1 3.98Å; F275-I279 PolarHBondContact O-N 3.29Å; F275-R331 HydrophobicContact CE2-CG 4.39Å |
| 276 | Y | 52.2 | Low | 67.3 | Low | 164 Ų | 164 | 71.6 Ų | 71.6 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62 | -31.6 | 175.7 | -79.8 | -78.7 | 0 | 0 | 0 | 111.3 | A273 T280 | A273-Y276 PolarHBondContact O-N 2.68Å; Y276-T280 WeakPolarHBondContact O-CB 3.42Å; Y276-T280 PolarHBondContact O-N 3.37Å; Y276-T280 PolarHBondContact O-OG1 2.86Å |
| 277 | A | 51.6 | Low | 65.2 | Low | 28 Ų | 28 | 77.7 Ų | 77.7 | 23% | 0.231 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F275 L281 F289 | F275-A277 PolarHBondContact O-N 3.49Å; A277-L281 WeakPolarHBondContact O-CB 3.4Å; A277-L281 PolarHBondContact O-N 3.39Å; A277-L281 VanDerWaalsContact O-N 3.13Å; A277-F289 HydrophobicContact CB-CD2 3.57Å; A277-F289 HydrophobicContact CB-CE2 3.93Å |
| 278 | L | 51.1 | Low | 62.8 | Low | 103 Ų | 103 | 82.1 Ų | 82.1 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.6 | -34 | -176.5 | -84.6 | 157.1 | 0 | 0 | 0 | 114.8 | F275 | F275-L278 PolarHBondContact O-N 3.04Å |
| 279 | I | 52.4 | Low | 60.6 | Low | 125 Ų | 125 | 83.8 Ų | 83.8 | 64% | 0.641 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -77.9 | -37.4 | 177.3 | -61.4 | 175.8 | 0 | 0 | 0 | 111.1 | F275 | F275-I279 HydrophobicContact CD1-CD1 3.58Å; F275-I279 HydrophobicContact CD1-CG1 3.98Å; F275-I279 HydrophobicContact CE1-CD1 3.67Å; F275-I279 HydrophobicContact CE1-CG1 3.98Å; F275-I279 PolarHBondContact O-N 3.29Å |
| 280 | T | 50.9 | Low | 58.9 | Low | 107 Ų | 107 | 84.5 Ų | 84.5 | 66% | 0.656 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -86.4 | -19 | -170.1 | -32.6 | 0 | 0 | 0 | 0 | 112.7 | Y276 | Y276-T280 WeakPolarHBondContact O-CB 3.42Å; Y276-T280 PolarHBondContact O-N 3.37Å; Y276-T280 PolarHBondContact O-OG1 2.86Å |
| 281 | L | 47.2 | Very low | 57.5 | Low | 62 Ų | 62 | 89.1 Ų | 89.1 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -108.9 | 128.8 | 178.3 | -64.3 | 169.6 | 0 | 0 | 0 | 110.1 | A277 F285 L288 | A277-L281 WeakPolarHBondContact O-CB 3.4Å; A277-L281 PolarHBondContact O-N 3.39Å; A277-L281 VanDerWaalsContact O-N 3.13Å; L281-F285 HydrophobicContact CB-CB 4.14Å; L281-L288 HydrophobicContact CD1-CB 4.18Å; L281-L288 HydrophobicContact CD1-CD1 4.31Å; L281-L288 HydrophobicContact CD2-CD1 4.39Å |
| 282 | P | 45.2 | Very low | 56.1 | Low | 80 Ų | 80 | 93 Ų | 93 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | trans | -52.7 | 144.6 | 173.1 | -22 | 30 | 0 | 0 | 0 | 110.6 | V284 F285 | P282-V284 PolarHBondContact O-N 2.95Å; P282-F285 HydrophobicContact CB-CD2 4.19Å; P282-F285 HydrophobicContact CG-CD2 4.07Å; P282-F285 HydrophobicContact CG-CE2 4.49Å; P282-F285 PolarHBondContact O-N 2.93Å | ||
| 283 | K | 53.2 | Low | 55.5 | Low | 214 Ų | 214 | 93.5 Ų | 93.5 | 93% | 0.93 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -44.3 | -27.3 | -179.8 | -75.1 | -175.4 | 173.8 | -174.1 | 0 | 115.4 | F285 | K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.11Å |
| 284 | V | 52.6 | Low | 55.7 | Low | 118 Ų | 118 | 93.4 Ų | 93.4 | 72% | 0.715 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -68.1 | -23.7 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | P282 F287 | P282-V284 PolarHBondContact O-N 2.95Å; V284-F287 WeakPolarHBondContact O-CD1 3.18Å; V284-F287 WeakPolarHBondContact O-CE1 3.36Å |
| 285 | F | 47.6 | Very low | 56.7 | Low | 93 Ų | 93 | 94 Ų | 94 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -99.4 | 11.2 | -177.8 | -72.6 | -77.2 | 0 | 0 | 0 | 114 | L281 P282 K283 F287 L288 | L281-F285 HydrophobicContact CB-CB 4.14Å; P282-F285 HydrophobicContact CB-CD2 4.19Å; P282-F285 HydrophobicContact CG-CD2 4.07Å; P282-F285 HydrophobicContact CG-CE2 4.49Å; P282-F285 PolarHBondContact O-N 2.93Å; K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.11Å; F285-F287 AromaticContact CD1-CE1 3.94Å; F285-F287 HydrophobicContact CD1-CE1 3.94Å; F285-F287 HydrophobicContact CD1-CE2 4.46Å; F285-F287 AromaticContact CD1-CZ 3.6Å; F285-F287 HydrophobicContact CD1-CZ 3.6Å; F285-F287 HydrophobicContact CE1-CZ 4.11Å; F285-F287 HydrophobicContact CG-CE1 4.48Å; F285-F287 PolarHBondContact O-N 2.91Å; F285-L288 HydrophobicContact CB-CD1 4.1Å; F285-L288 HydrophobicContact CD1-CD1 3.86Å; F285-L288 HydrophobicContact CG-CD1 4.36Å; F285-L288 WeakPolarHBondContact O-CB 3.29Å; F285-L288 PolarHBondContact O-N 2.81Å |
| 286 | G | 51.4 | Low | 58.2 | Low | 41 Ų | 41 | 91.3 Ų | 91.3 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -54.2 | -25.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L288 F289 | G286-L288 PolarHBondContact O-N 3.32Å; G286-L288 VanDerWaalsContact O-N 3.09Å; G286-F289 WeakPolarHBondContact O-CB 3.36Å; G286-F289 PolarHBondContact O-N 3.22Å |
| 287 | F | 51.1 | Low | 60 | Low | 150 Ų | 150 | 83.5 Ų | 83.5 | 66% | 0.658 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -62.9 | -9.2 | 172.5 | 68.4 | -101 | 0 | 0 | 0 | 115 | V284 F285 | V284-F287 WeakPolarHBondContact O-CD1 3.18Å; V284-F287 WeakPolarHBondContact O-CE1 3.36Å; F285-F287 AromaticContact CD1-CE1 3.94Å; F285-F287 HydrophobicContact CD1-CE1 3.94Å; F285-F287 HydrophobicContact CD1-CE2 4.46Å; F285-F287 AromaticContact CD1-CZ 3.6Å; F285-F287 HydrophobicContact CD1-CZ 3.6Å; F285-F287 HydrophobicContact CE1-CZ 4.11Å; F285-F287 HydrophobicContact CG-CE1 4.48Å; F285-F287 PolarHBondContact O-N 2.91Å |
| 288 | L | 45.7 | Very low | 61.9 | Low | 94 Ų | 94 | 83.3 Ų | 83.3 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -83.3 | -13 | 173.3 | -74.2 | 170.9 | 0 | 0 | 0 | 113 | L281 F285 G286 K290 | L281-L288 HydrophobicContact CD1-CB 4.18Å; L281-L288 HydrophobicContact CD1-CD1 4.31Å; L281-L288 HydrophobicContact CD2-CD1 4.39Å; F285-L288 HydrophobicContact CB-CD1 4.1Å; F285-L288 HydrophobicContact CD1-CD1 3.86Å; F285-L288 HydrophobicContact CG-CD1 4.36Å; F285-L288 WeakPolarHBondContact O-CB 3.29Å; F285-L288 PolarHBondContact O-N 2.81Å; G286-L288 PolarHBondContact O-N 3.32Å; G286-L288 VanDerWaalsContact O-N 3.09Å; L288-K290 PolarHBondContact O-N 2.97Å |
| 289 | F | 50.1 | Low | 63.9 | Low | 40 Ų | 40 | 78.7 Ų | 78.7 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -72.5 | 114.7 | 166.9 | -157 | -102.1 | 0 | 0 | 0 | 107.2 | R274 A277 G286 D293 E294 | R274-F289 HydrophobicContact CB-CE2 4.41Å; R274-F289 HydrophobicContact CB-CZ 3.9Å; R274-F289 HydrophobicContact CG-CE1 4.12Å; R274-F289 HydrophobicContact CG-CE2 4.36Å; R274-F289 HydrophobicContact CG-CZ 3.75Å; A277-F289 HydrophobicContact CB-CD2 3.57Å; A277-F289 HydrophobicContact CB-CE2 3.93Å; G286-F289 WeakPolarHBondContact O-CB 3.36Å; G286-F289 PolarHBondContact O-N 3.22Å; F289-D293 HydrophobicContact CD1-CB 4.17Å; F289-D293 HydrophobicContact CD2-CB 4.2Å; F289-D293 HydrophobicContact CE1-CB 3.54Å; F289-D293 HydrophobicContact CE2-CB 3.57Å; F289-D293 HydrophobicContact CG-CB 4.48Å; F289-D293 HydrophobicContact CZ-CB 3.21Å; F289-E294 HydrophobicContact CD1-CG 4.09Å; F289-E294 HydrophobicContact CE1-CG 3.59Å |
| 290 | K | 55.9 | Low | 65.8 | Low | 127 Ų | 127 | 72.7 Ų | 72.7 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | trans | -85.1 | 149.8 | -178.5 | -64.7 | 178.2 | 177.4 | -179 | 0 | 109.1 | L288 E292 D293 | L288-K290 PolarHBondContact O-N 2.97Å; K290-E292 HydrophobicContact CB-CB 4.3Å; K290-E292 IonicContact NZ-OE2 3.2Å; K290-E292 PolarHBondContact O-N 3.42Å; K290-D293 PolarHBondContact O-N 2.88Å | ||
| 291 | D | 64.1 | Low | 67.8 | Low | 127 Ų | 127 | 67.6 Ų | 67.6 | 68% | 0.679 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -48.9 | -32 | 171.1 | -51.1 | -19.1 | 0 | 0 | 0 | 111.9 | D293 E294 D295 | D291-D293 VanDerWaalsContact C-N 3.27Å; D291-D293 PolarHBondContact O-N 2.87Å; D291-E294 WeakPolarHBondContact O-CB 3.45Å; D291-E294 PolarHBondContact O-N 3.25Å; D291-E294 VanDerWaalsContact O-N 3.1Å; D291-D295 PolarHBondContact O-N 3.49Å |
| 292 | E | 61.7 | Low | 70 | Confident | 86 Ų | 86 | 66.3 Ų | 66.3 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.9 | -29.9 | 175.4 | -60.1 | 173.3 | 166.6 | 0 | 0 | 114.3 | A235 K290 I296 | A235-E292 HydrophobicContact CB-CB 3.72Å; K290-E292 HydrophobicContact CB-CB 4.3Å; K290-E292 IonicContact NZ-OE2 3.2Å; K290-E292 PolarHBondContact O-N 3.42Å; E292-I296 WeakPolarHBondContact O-CG1 3.46Å |
| 293 | D | 76.3 | Confident | 72.4 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -79.3 | -26.7 | 177.5 | -70.1 | -43.8 | 0 | 0 | 0 | 111.8 | F289 K290 D291 V297 | F289-D293 HydrophobicContact CD1-CB 4.17Å; F289-D293 HydrophobicContact CD2-CB 4.2Å; F289-D293 HydrophobicContact CE1-CB 3.54Å; F289-D293 HydrophobicContact CE2-CB 3.57Å; F289-D293 HydrophobicContact CG-CB 4.48Å; F289-D293 HydrophobicContact CZ-CB 3.21Å; K290-D293 PolarHBondContact O-N 2.88Å; D291-D293 VanDerWaalsContact C-N 3.27Å; D291-D293 PolarHBondContact O-N 2.87Å; D293-V297 VanDerWaalsContact O-CG2 3.31Å; D293-V297 WeakPolarHBondContact O-CG2 3.49Å; D293-V297 PolarHBondContact O-N 3.34Å |
| 294 | E | 81.8 | Confident | 74.4 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69 | -43.1 | 174.2 | -69.6 | -159.5 | 153.7 | 0 | 0 | 111 | R274 F289 D291 I296 V297 L298 I396 | R274-E294 IonicContact CZ-OE1 3.74Å; R274-E294 VanDerWaalsContact CZ-OE1 3.23Å; R274-E294 IonicContact NH1-OE1 3.88Å; R274-E294 PolarHBondContact NH1-OE1 2.96Å; R274-E294 IonicContact NH2-OE1 3.86Å; R274-E294 PolarHBondContact NH2-OE1 3.48Å; F289-E294 HydrophobicContact CD1-CG 4.09Å; F289-E294 HydrophobicContact CE1-CG 3.59Å; D291-E294 WeakPolarHBondContact O-CB 3.45Å; D291-E294 PolarHBondContact O-N 3.25Å; D291-E294 VanDerWaalsContact O-N 3.1Å; E294-I296 VanDerWaalsContact C-N 3.32Å; E294-I296 PolarHBondContact O-N 3.47Å; E294-V297 WeakPolarHBondContact O-CB 3.27Å; E294-V297 PolarHBondContact O-N 3.17Å; E294-V297 VanDerWaalsContact O-N 3.08Å; E294-L298 PolarHBondContact O-N 3.47Å; E294-I396 HydrophobicContact CB-CD1 3.95Å; E294-I396 HydrophobicContact CG-CD1 4.43Å; E294-I396 WeakPolarHBondContact O-CD1 3.37Å |
| 295 | D | 87.6 | Confident | 76.2 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.2 | -45.3 | 173.4 | -84.3 | -29.4 | 0 | 0 | 0 | 112.4 | K239 D291 V297 L298 E299 | K239-D295 HydrophobicContact CD-CB 3.68Å; K239-D295 HydrophobicContact CG-CB 4.06Å; K239-D295 IonicContact NZ-OD1 3.47Å; K239-D295 PolarHBondContact NZ-OD1 3.23Å; K239-D295 IonicContact NZ-OD2 2.87Å; K239-D295 PolarHBondContact NZ-OD2 3.37Å; D291-D295 PolarHBondContact O-N 3.49Å; D295-V297 VanDerWaalsContact C-N 3.27Å; D295-V297 PolarHBondContact O-N 2.77Å; D295-L298 WeakPolarHBondContact O-CB 3.45Å; D295-L298 PolarHBondContact O-N 3.23Å; D295-E299 WeakPolarHBondContact O-CG 3.38Å; D295-E299 PolarHBondContact O-N 3.45Å; D295-E299 VanDerWaalsContact O-N 3.09Å |
| 296 | I | 91.7 | Very high | 78.3 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 178.4 | -65 | 166.4 | 0 | 0 | 0 | 111.2 | A235 Q238 K239 K270 E292 E294 A300 | A235-I296 HydrophobicContact CB-CD1 3.9Å; Q238-I296 HydrophobicContact CB-CD1 3.73Å; Q238-I296 HydrophobicContact CB-CG1 4.14Å; K239-I296 HydrophobicContact CB-CG1 4.03Å; K270-I296 HydrophobicContact CB-CG2 4.1Å; K270-I296 HydrophobicContact CD-CG2 4.11Å; K270-I296 HydrophobicContact CG-CG2 4.29Å; E292-I296 WeakPolarHBondContact O-CG1 3.46Å; E294-I296 VanDerWaalsContact C-N 3.32Å; E294-I296 PolarHBondContact O-N 3.47Å; I296-A300 VanDerWaalsContact O-CB 3.31Å; I296-A300 WeakPolarHBondContact O-CB 3.13Å; I296-A300 PolarHBondContact O-N 3.09Å |
| 297 | V | 91.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.3 | -37.2 | -179.6 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | R274 D293 E294 D295 A300 C301 I396 | R274-V297 HydrophobicContact CB-CG2 4.06Å; D293-V297 VanDerWaalsContact O-CG2 3.31Å; D293-V297 WeakPolarHBondContact O-CG2 3.49Å; D293-V297 PolarHBondContact O-N 3.34Å; E294-V297 WeakPolarHBondContact O-CB 3.27Å; E294-V297 PolarHBondContact O-N 3.17Å; E294-V297 VanDerWaalsContact O-N 3.08Å; D295-V297 VanDerWaalsContact C-N 3.27Å; D295-V297 PolarHBondContact O-N 2.77Å; V297-A300 PolarHBondContact O-N 2.68Å; V297-C301 WeakPolarHBondContact O-CB 3.12Å; V297-C301 PolarHBondContact O-N 2.87Å; V297-C301 PolarHBondContact O-SG 2.9Å; V297-I396 HydrophobicContact CB-CD1 4.18Å; V297-I396 HydrophobicContact CG1-CD1 4.16Å; V297-I396 HydrophobicContact CG1-CG1 4.48Å; V297-I396 HydrophobicContact CG1-CG2 3.98Å |
| 298 | L | 90.7 | Very high | 82.1 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -55.1 | 173.9 | 177.6 | 56.6 | 0 | 0 | 0 | 110.7 | E294 D295 A300 C301 E302 I396 C399 | E294-L298 PolarHBondContact O-N 3.47Å; D295-L298 WeakPolarHBondContact O-CB 3.45Å; D295-L298 PolarHBondContact O-N 3.23Å; L298-A300 PolarHBondContact O-N 3.16Å; L298-C301 WeakPolarHBondContact O-CA 3.49Å; L298-C301 WeakPolarHBondContact O-CB 3.39Å; L298-C301 PolarHBondContact O-N 3.13Å; L298-E302 HydrophobicContact CD1-CG 4.48Å; L298-E302 PolarHBondContact O-N 3.12Å; L298-I396 HydrophobicContact CB-CG1 3.79Å; L298-I396 HydrophobicContact CD1-CG1 4.28Å; L298-C399 HydrophobicContact CD1-CB 4.2Å |
| 299 | E | 92.7 | Very high | 84.1 | Confident | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.023 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -35.5 | 178.8 | -57.8 | -65.6 | 151.7 | 0 | 0 | 112 | K239 C242 R243 D295 E302 F303 | K239-E299 HydrophobicContact CG-CG 3.88Å; C242-E299 HydrophobicContact CB-CB 3.47Å; C242-E299 VanDerWaalsContact CB-CB 3.47Å; C242-E299 HydrophobicContact CB-CG 4.46Å; R243-E299 WeakPolarHBondContact CB-OE2 3.29Å; R243-E299 WeakPolarHBondContact CG-OE2 3.18Å; R243-E299 IonicContact CZ-OE1 3.78Å; R243-E299 IonicContact CZ-OE2 2.68Å; R243-E299 IonicContact NE-OE1 2.54Å; R243-E299 PolarHBondContact NE-OE1 2.95Å; R243-E299 IonicContact NE-OE2 3.81Å; R243-E299 PolarHBondContact NE-OE2 3.01Å; R243-E299 IonicContact NH2-OE1 3.68Å; R243-E299 PolarHBondContact NH2-OE1 3.45Å; R243-E299 IonicContact NH2-OE2 3.32Å; D295-E299 WeakPolarHBondContact O-CG 3.38Å; D295-E299 PolarHBondContact O-N 3.45Å; D295-E299 VanDerWaalsContact O-N 3.09Å; E299-E302 PolarHBondContact O-N 2.71Å; E299-F303 PolarHBondContact O-N 3.46Å; E299-F303 VanDerWaalsContact O-N 3.12Å |
| 300 | A | 93.7 | Very high | 86 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72 | -28.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | M267 K270 I296 V297 L298 W304 | M267-A300 HydrophobicContact SD-CB 4.05Å; K270-A300 HydrophobicContact CB-CB 3.8Å; I296-A300 VanDerWaalsContact O-CB 3.31Å; I296-A300 WeakPolarHBondContact O-CB 3.13Å; I296-A300 PolarHBondContact O-N 3.09Å; V297-A300 PolarHBondContact O-N 2.68Å; L298-A300 PolarHBondContact O-N 3.16Å; A300-W304 VanDerWaalsContact O-CD1 3.23Å; A300-W304 PolarHBondContact O-NE1 2.87Å |
| 301 | C | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.9 | -39.9 | 172 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | V297 L298 F303 W304 F305 C399 S403 | V297-C301 WeakPolarHBondContact O-CB 3.12Å; V297-C301 PolarHBondContact O-N 2.87Å; V297-C301 PolarHBondContact O-SG 2.9Å; L298-C301 WeakPolarHBondContact O-CA 3.49Å; L298-C301 WeakPolarHBondContact O-CB 3.39Å; L298-C301 PolarHBondContact O-N 3.13Å; C301-F303 PolarHBondContact O-N 2.92Å; C301-W304 WeakPolarHBondContact O-CB 3.44Å; C301-W304 PolarHBondContact O-N 3.4Å; C301-F305 PolarHBondContact O-N 3.35Å; C301-C399 HydrophobicContact CB-CB 4.18Å; C301-C399 VanDerWaalsContact CB-SG 3.5Å; C301-S403 PolarHBondContact O-OG 3.42Å |
| 302 | E | 92.7 | Very high | 88.7 | Confident | 35 Ų | 35 | 32.5 Ų | 32.5 | 16% | 0.164 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -34.6 | 175.4 | -73.9 | -179.3 | -176 | 0 | 0 | 111.7 | T246 L298 E299 W304 F305 N306 W394 C399 | T246-E302 HydrophobicContact CG2-CB 4.5Å; L298-E302 HydrophobicContact CD1-CG 4.48Å; L298-E302 PolarHBondContact O-N 3.12Å; E299-E302 PolarHBondContact O-N 2.71Å; E302-W304 VanDerWaalsContact C-N 3.29Å; E302-W304 PolarHBondContact O-N 2.94Å; E302-F305 PolarHBondContact O-N 3.25Å; E302-N306 WeakPolarHBondContact O-CB 3.31Å; E302-N306 PolarHBondContact O-N 3.12Å; E302-N306 PolarHBondContact O-ND2 3.31Å; E302-W394 PolarHBondContact OE1-NE1 3.46Å; E302-C399 VanDerWaalsContact CA-SG 3.55Å; E302-C399 PolarHBondContact N-SG 3.02Å |
| 303 | F | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.5 | -42.8 | 170.9 | 179.3 | -91 | 0 | 0 | 0 | 112.4 | L249 I263 M267 E299 C301 N306 F307 | L249-F303 HydrophobicContact CB-CE2 4.12Å; L249-F303 HydrophobicContact CD2-CD2 3.87Å; L249-F303 HydrophobicContact CD2-CE1 4.5Å; L249-F303 HydrophobicContact CD2-CE2 3.56Å; L249-F303 HydrophobicContact CD2-CG 4.49Å; L249-F303 HydrophobicContact CD2-CZ 3.89Å; L249-F303 HydrophobicContact CG-CE2 4.29Å; I263-F303 HydrophobicContact CG2-CE2 3.63Å; I263-F303 HydrophobicContact CG2-CZ 3.64Å; M267-F303 HydrophobicContact CB-CD1 3.89Å; M267-F303 HydrophobicContact CB-CE1 4.21Å; M267-F303 HydrophobicContact CB-CG 4.4Å; M267-F303 HydrophobicContact CE-CB 3.83Å; M267-F303 HydrophobicContact CE-CD2 3.59Å; M267-F303 HydrophobicContact CE-CE2 4.31Å; M267-F303 HydrophobicContact CE-CG 3.76Å; M267-F303 HydrophobicContact CG-CB 4.23Å; M267-F303 HydrophobicContact CG-CD1 3.59Å; M267-F303 HydrophobicContact CG-CD2 4.05Å; M267-F303 HydrophobicContact CG-CE1 3.91Å; M267-F303 HydrophobicContact CG-CE2 4.31Å; M267-F303 HydrophobicContact CG-CG 3.67Å; M267-F303 HydrophobicContact CG-CZ 4.26Å; M267-F303 HydrophobicContact SD-CB 3.99Å; M267-F303 HydrophobicContact SD-CD1 4.46Å; M267-F303 HydrophobicContact SD-CD2 4.42Å; M267-F303 HydrophobicContact SD-CG 4.04Å; E299-F303 PolarHBondContact O-N 3.46Å; E299-F303 VanDerWaalsContact O-N 3.12Å; C301-F303 PolarHBondContact O-N 2.92Å; F303-N306 PolarHBondContact O-N 2.9Å; F303-F307 HydrophobicContact CE1-CB 4.41Å; F303-F307 AromaticContact CE1-CD1 3.87Å; F303-F307 HydrophobicContact CE1-CD1 3.87Å; F303-F307 HydrophobicContact CE1-CE1 4.48Å; F303-F307 HydrophobicContact CE1-CG 4.35Å; F303-F307 HydrophobicContact CZ-CD1 4.25Å; F303-F307 VanDerWaalsContact O-CB 3.32Å; F303-F307 WeakPolarHBondContact O-CB 3.3Å; F303-F307 PolarHBondContact O-N 3.29Å |
| 304 | W | 95.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -42.6 | -179.1 | -60.2 | 126.8 | 0 | 0 | 0 | 112.1 | V264 M267 I268 T271 A300 C301 E302 F307 L318 I325 L329 F407 | V264-W304 HydrophobicContact CG1-CH2 4.09Å; V264-W304 HydrophobicContact CG1-CZ3 4.26Å; M267-W304 HydrophobicContact CB-CH2 3.6Å; M267-W304 HydrophobicContact CB-CZ2 3.52Å; M267-W304 HydrophobicContact CB-CZ3 4.46Å; I268-W304 HydrophobicContact CB-CZ2 4.48Å; I268-W304 HydrophobicContact CD1-CH2 4.42Å; I268-W304 HydrophobicContact CG1-CH2 3.73Å; I268-W304 HydrophobicContact CG1-CZ2 3.72Å; T271-W304 PolarHBondContact OG1-NE1 3.37Å; A300-W304 VanDerWaalsContact O-CD1 3.23Å; A300-W304 PolarHBondContact O-NE1 2.87Å; C301-W304 WeakPolarHBondContact O-CB 3.44Å; C301-W304 PolarHBondContact O-N 3.4Å; E302-W304 VanDerWaalsContact C-N 3.29Å; E302-W304 PolarHBondContact O-N 2.94Å; W304-F307 HydrophobicContact CZ3-CD1 4.44Å; W304-F307 PolarHBondContact O-N 2.96Å; W304-L318 HydrophobicContact CE3-CD1 4.26Å; W304-L318 HydrophobicContact CZ3-CD1 4.46Å; W304-L318 HydrophobicContact CZ3-CD2 3.89Å; W304-I325 HydrophobicContact CD2-CG2 4.22Å; W304-I325 HydrophobicContact CG-CG2 4.49Å; W304-I325 HydrophobicContact CH2-CD1 4.36Å; W304-I325 HydrophobicContact CH2-CG1 4.41Å; W304-I325 HydrophobicContact CZ2-CG1 4.43Å; W304-I325 HydrophobicContact CZ3-CD1 4.26Å; W304-L329 HydrophobicContact CG-CD2 4.44Å; W304-F407 HydrophobicContact CB-CE1 4.5Å; W304-F407 HydrophobicContact CB-CZ 4.23Å |
| 305 | F | 89.6 | Confident | 91.3 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | 173.8 | -175.3 | -106.2 | 0 | 0 | 0 | 110.4 | C301 E302 F307 T308 A402 S403 V406 | C301-F305 PolarHBondContact O-N 3.35Å; E302-F305 PolarHBondContact O-N 3.25Å; F305-F307 VanDerWaalsContact C-N 3.26Å; F305-F307 PolarHBondContact O-N 3.41Å; F305-T308 PolarHBondContact O-N 3.24Å; F305-T308 PolarHBondContact O-OG1 2.78Å; F305-A402 HydrophobicContact CD2-CB 3.87Å; F305-A402 HydrophobicContact CE2-CB 3.82Å; F305-S403 PolarHBondContact N-OG 2.92Å; F305-V406 HydrophobicContact CD2-CG2 4.41Å; F305-V406 HydrophobicContact CE2-CG2 4.04Å |
| 306 | N | 92 | Very high | 91.6 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -23.8 | -179.9 | -73.7 | -70 | 0 | 0 | 0 | 113.7 | T246 E250 E302 F303 T308 E309 | T246-N306 HydrophobicContact CG2-CB 4.07Å; T246-N306 WeakPolarHBondContact CG2-ND2 3.4Å; E250-N306 VanDerWaalsContact CD-OD1 3.29Å; E250-N306 HydrophobicContact CG-CB 3.84Å; E250-N306 PolarHBondContact OE1-ND2 3.36Å; E250-N306 PolarHBondContact OE1-OD1 3.08Å; E302-N306 WeakPolarHBondContact O-CB 3.31Å; E302-N306 PolarHBondContact O-N 3.12Å; E302-N306 PolarHBondContact O-ND2 3.31Å; F303-N306 PolarHBondContact O-N 2.9Å; N306-T308 PolarHBondContact O-N 3.1Å; N306-E309 WeakPolarHBondContact O-CB 3.45Å; N306-E309 PolarHBondContact O-N 2.81Å |
| 307 | F | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -22 | 177.9 | -159.5 | -173.7 | 0 | 0 | 0 | 112.7 | L249 L260 V264 F303 W304 F305 E309 A310 C314 L317 L318 | L249-F307 HydrophobicContact CD1-CD2 3.63Å; L249-F307 HydrophobicContact CD1-CE2 3.87Å; L249-F307 HydrophobicContact CD1-CG 4.39Å; L249-F307 VanDerWaalsContact CD2-CA 3.41Å; L249-F307 HydrophobicContact CD2-CB 3.59Å; L249-F307 HydrophobicContact CD2-CD2 3.89Å; L249-F307 HydrophobicContact CD2-CG 3.9Å; L249-F307 HydrophobicContact CG-CD2 4.27Å; L260-F307 HydrophobicContact CD1-CE2 4.45Å; L260-F307 HydrophobicContact CD1-CZ 4.45Å; L260-F307 HydrophobicContact CD2-CZ 4.45Å; V264-F307 HydrophobicContact CG2-CD1 4.43Å; V264-F307 HydrophobicContact CG2-CE1 3.62Å; V264-F307 HydrophobicContact CG2-CZ 4.35Å; F303-F307 HydrophobicContact CE1-CB 4.41Å; F303-F307 AromaticContact CE1-CD1 3.87Å; F303-F307 HydrophobicContact CE1-CD1 3.87Å; F303-F307 HydrophobicContact CE1-CE1 4.48Å; F303-F307 HydrophobicContact CE1-CG 4.35Å; F303-F307 HydrophobicContact CZ-CD1 4.25Å; F303-F307 VanDerWaalsContact O-CB 3.32Å; F303-F307 WeakPolarHBondContact O-CB 3.3Å; F303-F307 PolarHBondContact O-N 3.29Å; W304-F307 HydrophobicContact CZ3-CD1 4.44Å; W304-F307 PolarHBondContact O-N 2.96Å; F305-F307 VanDerWaalsContact C-N 3.26Å; F305-F307 PolarHBondContact O-N 3.41Å; F307-E309 PolarHBondContact O-N 3.01Å; F307-A310 HydrophobicContact CD2-CB 4.21Å; F307-A310 HydrophobicContact CE2-CB 4.41Å; F307-A310 PolarHBondContact O-N 3.11Å; F307-A310 VanDerWaalsContact O-N 3.12Å; F307-C314 HydrophobicContact CD2-CB 4.19Å; F307-C314 HydrophobicContact CE2-CB 4.35Å; F307-C314 HydrophobicContact CG-CB 4.36Å; F307-C314 WeakPolarHBondContact O-CB 3.4Å; F307-L317 HydrophobicContact CZ-CD1 4Å; F307-L318 HydrophobicContact CD1-CD1 3.81Å; F307-L318 HydrophobicContact CD1-CD2 3.94Å; F307-L318 HydrophobicContact CD1-CG 4.03Å; F307-L318 HydrophobicContact CE1-CD1 4.21Å; F307-L318 HydrophobicContact CE1-CD2 3.64Å; F307-L318 HydrophobicContact CE1-CG 3.9Å |
| 308 | T | 87.8 | Confident | 92 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.6 | 178.8 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | F305 N306 A310 V406 F407 L410 | F305-T308 PolarHBondContact O-N 3.24Å; F305-T308 PolarHBondContact O-OG1 2.78Å; N306-T308 PolarHBondContact O-N 3.1Å; T308-A310 PolarHBondContact O-N 3.33Å; T308-A310 VanDerWaalsContact O-N 3.12Å; T308-V406 HydrophobicContact CG2-CB 3.96Å; T308-V406 HydrophobicContact CG2-CG1 3.65Å; T308-V406 VanDerWaalsContact OG1-CG1 3.31Å; T308-V406 WeakPolarHBondContact OG1-CG1 3.49Å; T308-F407 HydrophobicContact CG2-CD1 3.72Å; T308-F407 HydrophobicContact CG2-CE1 3.69Å; T308-L410 HydrophobicContact CG2-CD1 3.59Å |
| 309 | E | 87.9 | Confident | 92.2 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 48% | 0.477 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.4 | 172.1 | -62.9 | -55 | 125.1 | 0 | 0 | 113.2 | N306 F307 P311 I373 | N306-E309 WeakPolarHBondContact O-CB 3.45Å; N306-E309 PolarHBondContact O-N 2.81Å; F307-E309 PolarHBondContact O-N 3.01Å; E309-P311 VanDerWaalsContact O-CD 3.23Å; E309-P311 WeakPolarHBondContact O-CD 3.21Å; E309-I373 VanDerWaalsContact OE1-CD1 3.29Å; E309-I373 WeakPolarHBondContact OE1-CD1 3.31Å |
| 310 | A | 90.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -115.7 | 64.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I253 F307 T308 H312 Y313 C314 | I253-A310 HydrophobicContact CD1-CB 3.27Å; F307-A310 HydrophobicContact CD2-CB 4.21Å; F307-A310 HydrophobicContact CE2-CB 4.41Å; F307-A310 PolarHBondContact O-N 3.11Å; F307-A310 VanDerWaalsContact O-N 3.12Å; T308-A310 PolarHBondContact O-N 3.33Å; T308-A310 VanDerWaalsContact O-N 3.12Å; A310-H312 VanDerWaalsContact C-N 3.26Å; A310-H312 PolarHBondContact O-N 3.17Å; A310-Y313 HydrophobicContact CB-CD2 4.28Å; A310-Y313 PolarHBondContact O-N 3.22Å; A310-C314 WeakPolarHBondContact O-CB 3.36Å; A310-C314 PolarHBondContact O-N 3.17Å |
| 311 | P | 87.2 | Confident | 92.6 | Very high | 64 Ų | 64 | 44 Ų | 44 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.9 | -31.3 | -165.6 | 22.4 | -34.5 | 0 | 0 | 0 | 113.8 | E309 K315 L410 | E309-P311 VanDerWaalsContact O-CD 3.23Å; E309-P311 WeakPolarHBondContact O-CD 3.21Å; P311-K315 VanDerWaalsContact O-CB 3.3Å; P311-K315 WeakPolarHBondContact O-CB 3.31Å; P311-K315 VanDerWaalsContact O-CG 3.29Å; P311-K315 WeakPolarHBondContact O-CG 3.1Å; P311-K315 PolarHBondContact O-N 3.1Å; P311-L410 HydrophobicContact CB-CD2 3.98Å |
| 312 | H | 89 | Confident | 92.7 | Very high | 139 Ų | 139 | 44.2 Ų | 44.2 | 64% | 0.644 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.4 | -48.2 | 176.9 | 177.1 | -87 | 0 | 0 | 0 | 112.4 | A310 T316 | A310-H312 VanDerWaalsContact C-N 3.26Å; A310-H312 PolarHBondContact O-N 3.17Å; H312-T316 PolarHBondContact O-N 3.1Å; H312-T316 PolarHBondContact O-OG1 3.32Å |
| 313 | Y | 92.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.4 | -44.6 | 178.7 | -65.9 | -73.4 | 0 | 0 | 0 | 110.9 | I253 A257 L260 A310 T316 L317 | I253-Y313 HydrophobicContact CD1-CD2 3.36Å; I253-Y313 HydrophobicContact CD1-CE2 3.76Å; I253-Y313 HydrophobicContact CD1-CG 4.11Å; I253-Y313 HydrophobicContact CG1-CD2 4.03Å; I253-Y313 HydrophobicContact CG1-CE2 3.99Å; A257-Y313 HydrophobicContact CB-CE1 4.06Å; L260-Y313 HydrophobicContact CD1-CD1 3.87Å; L260-Y313 HydrophobicContact CD1-CE1 4.44Å; L260-Y313 HydrophobicContact CD1-CG 3.98Å; A310-Y313 HydrophobicContact CB-CD2 4.28Å; A310-Y313 PolarHBondContact O-N 3.22Å; Y313-T316 PolarHBondContact O-N 3.12Å; Y313-L317 WeakPolarHBondContact O-CB 3.21Å; Y313-L317 WeakPolarHBondContact O-CG 3.39Å; Y313-L317 PolarHBondContact O-N 3.09Å |
| 314 | C | 90.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.3 | -53.1 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | F307 A310 T316 L317 L318 | F307-C314 HydrophobicContact CD2-CB 4.19Å; F307-C314 HydrophobicContact CE2-CB 4.35Å; F307-C314 HydrophobicContact CG-CB 4.36Å; F307-C314 WeakPolarHBondContact O-CB 3.4Å; A310-C314 WeakPolarHBondContact O-CB 3.36Å; A310-C314 PolarHBondContact O-N 3.17Å; C314-T316 VanDerWaalsContact C-N 3.33Å; C314-T316 PolarHBondContact O-N 3.3Å; C314-L317 PolarHBondContact O-N 2.99Å; C314-L318 VanDerWaalsContact O-CB 3.24Å; C314-L318 WeakPolarHBondContact O-CB 3.49Å; C314-L318 WeakPolarHBondContact O-CG 3.49Å; C314-L318 PolarHBondContact O-N 3.38Å; C314-L318 VanDerWaalsContact SG-CD1 3.54Å |
| 315 | K | 91.8 | Very high | 92.9 | Very high | 96 Ų | 96 | 50.2 Ų | 50.2 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 179.2 | -72.3 | -172.9 | -174.5 | -156.9 | 0 | 112.5 | P311 L319 L410 F411 | P311-K315 VanDerWaalsContact O-CB 3.3Å; P311-K315 WeakPolarHBondContact O-CB 3.31Å; P311-K315 VanDerWaalsContact O-CG 3.29Å; P311-K315 WeakPolarHBondContact O-CG 3.1Å; P311-K315 PolarHBondContact O-N 3.1Å; K315-L319 WeakPolarHBondContact O-CB 3.3Å; K315-L319 PolarHBondContact O-N 3.5Å; K315-L410 WeakPolarHBondContact CE-O 3.09Å; K315-L410 PolarHBondContact NZ-O 3.02Å; K315-F411 HydrophobicContact CG-CE1 4.36Å |
| 316 | T | 93.5 | Very high | 93.2 | Very high | 94 Ų | 94 | 48.7 Ų | 48.7 | 58% | 0.577 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -69.4 | -42.2 | -177 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | H312 Y313 C314 | H312-T316 PolarHBondContact O-N 3.1Å; H312-T316 PolarHBondContact O-OG1 3.32Å; Y313-T316 PolarHBondContact O-N 3.12Å; C314-T316 VanDerWaalsContact C-N 3.33Å; C314-T316 PolarHBondContact O-N 3.3Å |
| 317 | L | 95.7 | Very high | 93.4 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -89.8 | -33.6 | -172 | -69 | 171.5 | 0 | 0 | 0 | 113.5 | L260 P261 F307 Y313 C314 | L260-L317 HydrophobicContact CB-CD1 3.61Å; L260-L317 HydrophobicContact CD1-CD1 4.07Å; L260-L317 HydrophobicContact CG-CD1 4.47Å; P261-L317 HydrophobicContact CG-CD2 3.97Å; F307-L317 HydrophobicContact CZ-CD1 4Å; Y313-L317 WeakPolarHBondContact O-CB 3.21Å; Y313-L317 WeakPolarHBondContact O-CG 3.39Å; Y313-L317 PolarHBondContact O-N 3.09Å; C314-L317 PolarHBondContact O-N 2.99Å |
| 318 | L | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -91.3 | -30.3 | -174.2 | -55.8 | -165.5 | 0 | 0 | 0 | 113.3 | V264 W304 F307 C314 R321 L322 I325 F407 F411 | V264-L318 HydrophobicContact CG1-CD2 3.76Å; V264-L318 HydrophobicContact CG2-CD2 4.02Å; W304-L318 HydrophobicContact CE3-CD1 4.26Å; W304-L318 HydrophobicContact CZ3-CD1 4.46Å; W304-L318 HydrophobicContact CZ3-CD2 3.89Å; F307-L318 HydrophobicContact CD1-CD1 3.81Å; F307-L318 HydrophobicContact CD1-CD2 3.94Å; F307-L318 HydrophobicContact CD1-CG 4.03Å; F307-L318 HydrophobicContact CE1-CD1 4.21Å; F307-L318 HydrophobicContact CE1-CD2 3.64Å; F307-L318 HydrophobicContact CE1-CG 3.9Å; C314-L318 VanDerWaalsContact O-CB 3.24Å; C314-L318 WeakPolarHBondContact O-CB 3.49Å; C314-L318 WeakPolarHBondContact O-CG 3.49Å; C314-L318 PolarHBondContact O-N 3.38Å; C314-L318 VanDerWaalsContact SG-CD1 3.54Å; L318-R321 CarbonylContact O-C 3.58Å; L318-R321 WeakPolarHBondContact O-CA 3.41Å; L318-R321 PolarHBondContact O-N 3.41Å; L318-L322 HydrophobicContact CB-CD2 4.49Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.45Å; L318-I325 HydrophobicContact CB-CD1 4.25Å; L318-I325 HydrophobicContact CD1-CD1 4.42Å; L318-I325 HydrophobicContact CD2-CD1 3.79Å; L318-I325 HydrophobicContact CG-CD1 4.38Å; L318-F407 HydrophobicContact CD1-CE1 4.15Å; L318-F407 HydrophobicContact CD1-CE2 4.28Å; L318-F407 HydrophobicContact CD1-CZ 3.6Å; L318-F411 HydrophobicContact CB-CZ 3.86Å |
| 319 | L | 95.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.414 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -48.2 | -49.4 | 177.6 | -180 | 64.1 | 0 | 0 | 0 | 113.3 | K315 R321 L322 F411 D414 | K315-L319 WeakPolarHBondContact O-CB 3.3Å; K315-L319 PolarHBondContact O-N 3.5Å; L319-R321 PolarHBondContact O-N 3.24Å; L319-L322 HydrophobicContact CD1-CD1 4.04Å; L319-F411 HydrophobicContact CB-CE1 4.16Å; L319-F411 HydrophobicContact CD1-CD1 4.18Å; L319-D414 HydrophobicContact CD1-CB 3.64Å |
| 320 | P | 96.2 | Very high | 94 | Very high | 90 Ų | 90 | 44.8 Ų | 44.8 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -72.6 | -6.4 | 178.4 | 29.2 | -35.3 | 0 | 0 | 0 | 114.3 | ||
| 321 | R | 96.7 | Very high | 94 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 18% | 0.177 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -120.8 | 5.9 | -174.4 | -54.5 | -163.9 | 71.5 | 177.4 | -0.6 | 113.5 | S265 I268 L318 L319 N323 E324 I325 | S265-R321 VanDerWaalsContact CA-NH1 3.34Å; S265-R321 PolarHBondContact OG-NH1 3Å; I268-R321 HydrophobicContact CD1-CB 4.33Å; I268-R321 VanDerWaalsContact CD1-NH2 3.3Å; L318-R321 CarbonylContact O-C 3.58Å; L318-R321 WeakPolarHBondContact O-CA 3.41Å; L318-R321 PolarHBondContact O-N 3.41Å; L319-R321 PolarHBondContact O-N 3.24Å; R321-N323 PolarHBondContact O-N 2.99Å; R321-N323 VanDerWaalsContact O-N 3.13Å; R321-E324 IonicContact CZ-OE1 2.65Å; R321-E324 IonicContact CZ-OE2 2.73Å; R321-E324 IonicContact NE-OE1 2.76Å; R321-E324 PolarHBondContact NE-OE1 3.23Å; R321-E324 IonicContact NE-OE2 3.71Å; R321-E324 IonicContact NH2-OE1 3.96Å; R321-E324 PolarHBondContact NH2-OE1 2.93Å; R321-E324 IonicContact NH2-OE2 2.75Å; R321-E324 PolarHBondContact NH2-OE2 3.31Å; R321-E324 WeakPolarHBondContact O-CB 3.48Å; R321-E324 PolarHBondContact O-N 3Å; R321-I325 HydrophobicContact CB-CD1 4.16Å; R321-I325 PolarHBondContact O-N 3.32Å |
| 322 | L | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.3 | -35.8 | 179.2 | -68.2 | -178.7 | 0 | 0 | 0 | 111.7 | L318 L319 E324 I325 V326 F407 F411 L415 V418 | L318-L322 HydrophobicContact CB-CD2 4.49Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.45Å; L319-L322 HydrophobicContact CD1-CD1 4.04Å; L322-E324 PolarHBondContact O-N 3.33Å; L322-I325 PolarHBondContact O-N 2.93Å; L322-V326 HydrophobicContact CB-CG2 4.2Å; L322-V326 HydrophobicContact CD2-CG2 4.28Å; L322-V326 WeakPolarHBondContact O-CB 3.38Å; L322-V326 WeakPolarHBondContact O-CG2 3.37Å; L322-V326 PolarHBondContact O-N 3.4Å; L322-F407 HydrophobicContact CD2-CD2 4.26Å; L322-F407 HydrophobicContact CD2-CE2 4.38Å; L322-F411 HydrophobicContact CD1-CB 4.32Å; L322-F411 HydrophobicContact CD1-CD1 4.07Å; L322-F411 HydrophobicContact CD1-CD2 4.36Å; L322-F411 HydrophobicContact CD1-CG 3.99Å; L322-F411 HydrophobicContact CD2-CD2 3.92Å; L322-F411 HydrophobicContact CD2-CE1 4.34Å; L322-F411 HydrophobicContact CD2-CE2 3.79Å; L322-F411 HydrophobicContact CD2-CG 4.33Å; L322-F411 HydrophobicContact CD2-CZ 4.03Å; L322-L415 HydrophobicContact CD1-CD1 4.44Å; L322-V418 HydrophobicContact CB-CG2 4.07Å |
| 323 | N | 96.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 38.5 Ų | 38.5 | 52% | 0.519 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.1 | -16.1 | 177.1 | 68.5 | -68.4 | 0 | 0 | 0 | 114.5 | R321 P327 V418 | R321-N323 PolarHBondContact O-N 2.99Å; R321-N323 VanDerWaalsContact O-N 3.13Å; N323-P327 WeakPolarHBondContact O-CG 3.33Å; N323-V418 HydrophobicContact CB-CG2 4.24Å |
| 324 | E | 95.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 39 Ų | 39 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -94.2 | -35.4 | 174.2 | -60.8 | 174.6 | -99.4 | 0 | 0 | 111.6 | I268 Q272 R321 L322 S328 | I268-E324 HydrophobicContact CD1-CB 4.28Å; I268-E324 HydrophobicContact CG2-CB 4.15Å; Q272-E324 PolarHBondContact NE2-O 3.19Å; Q272-E324 VanDerWaalsContact NE2-O 3.09Å; R321-E324 IonicContact CZ-OE1 2.65Å; R321-E324 IonicContact CZ-OE2 2.73Å; R321-E324 IonicContact NE-OE1 2.76Å; R321-E324 PolarHBondContact NE-OE1 3.23Å; R321-E324 IonicContact NE-OE2 3.71Å; R321-E324 IonicContact NH2-OE1 3.96Å; R321-E324 PolarHBondContact NH2-OE1 2.93Å; R321-E324 IonicContact NH2-OE2 2.75Å; R321-E324 PolarHBondContact NH2-OE2 3.31Å; R321-E324 WeakPolarHBondContact O-CB 3.48Å; R321-E324 PolarHBondContact O-N 3Å; L322-E324 PolarHBondContact O-N 3.33Å; E324-S328 PolarHBondContact O-OG 3.12Å |
| 325 | I | 95.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.3 | -55.7 | -172.2 | -58.2 | 160.2 | 0 | 0 | 0 | 111.2 | I268 W304 L318 R321 L322 S328 L329 F407 | I268-I325 HydrophobicContact CD1-CD1 4.1Å; I268-I325 HydrophobicContact CD1-CG1 3.7Å; I268-I325 HydrophobicContact CG1-CD1 4.38Å; I268-I325 HydrophobicContact CG1-CG1 3.63Å; W304-I325 HydrophobicContact CD2-CG2 4.22Å; W304-I325 HydrophobicContact CG-CG2 4.49Å; W304-I325 HydrophobicContact CH2-CD1 4.36Å; W304-I325 HydrophobicContact CH2-CG1 4.41Å; W304-I325 HydrophobicContact CZ2-CG1 4.43Å; W304-I325 HydrophobicContact CZ3-CD1 4.26Å; L318-I325 HydrophobicContact CB-CD1 4.25Å; L318-I325 HydrophobicContact CD1-CD1 4.42Å; L318-I325 HydrophobicContact CD2-CD1 3.79Å; L318-I325 HydrophobicContact CG-CD1 4.38Å; R321-I325 HydrophobicContact CB-CD1 4.16Å; R321-I325 PolarHBondContact O-N 3.32Å; L322-I325 PolarHBondContact O-N 2.93Å; I325-S328 WeakPolarHBondContact O-CA 3.47Å; I325-S328 VanDerWaalsContact O-CB 3.27Å; I325-S328 WeakPolarHBondContact O-CB 3.34Å; I325-S328 PolarHBondContact O-N 3.02Å; I325-L329 HydrophobicContact CG2-CD1 3.93Å; I325-L329 HydrophobicContact CG2-CG 4.1Å; I325-L329 PolarHBondContact O-N 3.33Å; I325-F407 HydrophobicContact CG2-CE2 3.85Å; I325-F407 HydrophobicContact CG2-CZ 4.34Å |
| 326 | V | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | -171.1 | 174.9 | 0 | 0 | 0 | 0 | 112.7 | L322 S328 L329 V330 L404 F407 L415 V418 I419 I422 | L322-V326 HydrophobicContact CB-CG2 4.2Å; L322-V326 HydrophobicContact CD2-CG2 4.28Å; L322-V326 WeakPolarHBondContact O-CB 3.38Å; L322-V326 WeakPolarHBondContact O-CG2 3.37Å; L322-V326 PolarHBondContact O-N 3.4Å; V326-S328 PolarHBondContact O-N 3.04Å; V326-L329 PolarHBondContact O-N 3.45Å; V326-V330 HydrophobicContact CG1-CG2 4.45Å; V326-V330 WeakPolarHBondContact O-CG2 3.35Å; V326-V330 PolarHBondContact O-N 2.91Å; V326-L404 HydrophobicContact CG1-CD1 4.12Å; V326-F407 HydrophobicContact CG2-CD2 4.45Å; V326-L415 HydrophobicContact CG1-CD1 4.26Å; V326-L415 HydrophobicContact CG2-CD1 3.53Å; V326-V418 HydrophobicContact CB-CG1 3.82Å; V326-V418 HydrophobicContact CG1-CG1 4.09Å; V326-V418 HydrophobicContact CG2-CG1 4.41Å; V326-I419 HydrophobicContact CG1-CB 4.48Å; V326-I419 HydrophobicContact CG1-CD1 3.72Å; V326-I422 HydrophobicContact CG1-CD1 4.11Å |
| 327 | P | 95.2 | Very high | 93 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -28.5 | 174.7 | -20.1 | 30.4 | 0 | 0 | 0 | 113.4 | N323 R331 V418 I422 | N323-P327 WeakPolarHBondContact O-CG 3.33Å; P327-R331 VanDerWaalsContact O-CG 3.26Å; P327-R331 WeakPolarHBondContact O-CG 3.31Å; P327-R331 PolarHBondContact O-N 3.41Å; P327-R331 PolarHBondContact O-NE 3.1Å; P327-R331 VanDerWaalsContact O-NE 3.15Å; P327-V418 HydrophobicContact CG-CG1 4.43Å; P327-I422 HydrophobicContact CB-CD1 4.1Å; P327-I422 HydrophobicContact CG-CD1 3.94Å |
| 328 | S | 93.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.6 | -43.8 | 179.1 | -51.7 | 0 | 0 | 0 | 0 | 110.7 | Q272 E324 I325 V326 R331 C332 | Q272-S328 VanDerWaalsContact CG-OG 3.29Å; Q272-S328 WeakPolarHBondContact CG-OG 3.39Å; E324-S328 PolarHBondContact O-OG 3.12Å; I325-S328 WeakPolarHBondContact O-CA 3.47Å; I325-S328 VanDerWaalsContact O-CB 3.27Å; I325-S328 WeakPolarHBondContact O-CB 3.34Å; I325-S328 PolarHBondContact O-N 3.02Å; V326-S328 PolarHBondContact O-N 3.04Å; S328-R331 PolarHBondContact O-N 3.29Å; S328-R331 VanDerWaalsContact O-N 3.16Å; S328-R331 PolarHBondContact OG-NH2 3.35Å; S328-C332 PolarHBondContact O-N 3.15Å; S328-C332 PolarHBondContact O-SG 3.26Å; S328-C332 VanDerWaalsContact O-SG 3.38Å |
| 329 | L | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -50 | 173.1 | -66.1 | 179.1 | 0 | 0 | 0 | 111.8 | W304 I325 V326 R331 C332 M333 A400 F407 | W304-L329 HydrophobicContact CG-CD2 4.44Å; I325-L329 HydrophobicContact CG2-CD1 3.93Å; I325-L329 HydrophobicContact CG2-CG 4.1Å; I325-L329 PolarHBondContact O-N 3.33Å; V326-L329 PolarHBondContact O-N 3.45Å; L329-R331 PolarHBondContact O-N 3.44Å; L329-C332 CarbonylContact O-C 3.55Å; L329-C332 WeakPolarHBondContact O-CA 3.4Å; L329-C332 WeakPolarHBondContact O-CB 3.46Å; L329-C332 PolarHBondContact O-N 3.39Å; L329-M333 WeakPolarHBondContact O-CG 3.27Å; L329-M333 PolarHBondContact O-N 3.26Å; L329-A400 HydrophobicContact CD2-CB 4.29Å; L329-F407 HydrophobicContact CD1-CD2 4.27Å; L329-F407 HydrophobicContact CD1-CE2 4.03Å |
| 330 | V | 95 | Very high | 90.8 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -30.7 | 178.8 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | V326 L404 I419 I422 A441 | V326-V330 HydrophobicContact CG1-CG2 4.45Å; V326-V330 WeakPolarHBondContact O-CG2 3.35Å; V326-V330 PolarHBondContact O-N 2.91Å; V330-L404 HydrophobicContact CG2-CD2 4.02Å; V330-I419 HydrophobicContact CG2-CD1 3.67Å; V330-I422 HydrophobicContact CB-CG2 4.28Å; V330-I422 HydrophobicContact CG1-CG2 3.8Å; V330-I422 HydrophobicContact CG2-CG2 4.37Å; V330-A441 HydrophobicContact CG1-CB 4.03Å; V330-A441 HydrophobicContact CG2-CB 3.9Å |
| 331 | R | 91.7 | Very high | 89.9 | Confident | 80 Ų | 80 | 40.1 Ų | 40.1 | 30% | 0.302 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -74.4 | -37.2 | 173.3 | -74.1 | -177.8 | -65.5 | -108.5 | 2.3 | 112.7 | F275 P327 S328 L329 M333 R334 | F275-R331 HydrophobicContact CE2-CG 4.39Å; P327-R331 VanDerWaalsContact O-CG 3.26Å; P327-R331 WeakPolarHBondContact O-CG 3.31Å; P327-R331 PolarHBondContact O-N 3.41Å; P327-R331 PolarHBondContact O-NE 3.1Å; P327-R331 VanDerWaalsContact O-NE 3.15Å; S328-R331 PolarHBondContact O-N 3.29Å; S328-R331 VanDerWaalsContact O-N 3.16Å; S328-R331 PolarHBondContact OG-NH2 3.35Å; L329-R331 PolarHBondContact O-N 3.44Å; R331-M333 PolarHBondContact O-N 3Å; R331-R334 WeakPolarHBondContact O-CG 3.2Å; R331-R334 PolarHBondContact O-N 3.07Å |
| 332 | C | 92.4 | Very high | 88.9 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -20.1 | 174.4 | -75 | 0 | 0 | 0 | 0 | 112.7 | S328 L329 R334 I396 R397 A400 | S328-C332 PolarHBondContact O-N 3.15Å; S328-C332 PolarHBondContact O-SG 3.26Å; S328-C332 VanDerWaalsContact O-SG 3.38Å; L329-C332 CarbonylContact O-C 3.55Å; L329-C332 WeakPolarHBondContact O-CA 3.4Å; L329-C332 WeakPolarHBondContact O-CB 3.46Å; L329-C332 PolarHBondContact O-N 3.39Å; C332-R334 PolarHBondContact O-N 3.12Å; C332-I396 HydrophobicContact CB-CG2 3.63Å; C332-R397 WeakPolarHBondContact O-CA 3.26Å; C332-A400 HydrophobicContact CB-CB 3.69Å |
| 333 | M | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.7 | 171.8 | -67.9 | 176 | -164.9 | 0 | 0 | 114.1 | L329 R331 R397 A400 A401 L404 A437 L440 A441 | L329-M333 WeakPolarHBondContact O-CG 3.27Å; L329-M333 PolarHBondContact O-N 3.26Å; R331-M333 PolarHBondContact O-N 3Å; M333-R397 WeakPolarHBondContact O-CD 3.35Å; M333-R397 WeakPolarHBondContact O-CG 3.35Å; M333-R397 PolarHBondContact O-NH1 2.83Å; M333-A400 VanDerWaalsContact CE-O 3.29Å; M333-A400 WeakPolarHBondContact CE-O 3.41Å; M333-A400 HydrophobicContact CG-CB 4Å; M333-A401 VanDerWaalsContact CE-CA 3.5Å; M333-A401 HydrophobicContact CE-CB 4.33Å; M333-A401 HydrophobicContact CG-CB 4.42Å; M333-L404 HydrophobicContact CE-CB 3.45Å; M333-L404 VanDerWaalsContact CE-CB 3.45Å; M333-L404 HydrophobicContact CE-CD2 3.37Å; M333-L404 HydrophobicContact CE-CG 4.03Å; M333-L404 HydrophobicContact SD-CD2 4.39Å; M333-A437 HydrophobicContact CB-CB 4.07Å; M333-L440 HydrophobicContact CB-CD2 4.01Å; M333-L440 HydrophobicContact CG-CD2 4.2Å; M333-L440 HydrophobicContact SD-CD2 4.34Å; M333-L440 HydrophobicContact SD-CG 4.08Å; M333-A441 HydrophobicContact SD-CB 3.83Å |
| 334 | R | 91.4 | Very high | 86.3 | Confident | 80 Ų | 80 | 43 Ų | 43 | 30% | 0.302 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -68.9 | 140.6 | 177.9 | -64.3 | 177.4 | -170.9 | -167.6 | 0.9 | 110.6 | R331 C332 T336 V434 A437 | R331-R334 WeakPolarHBondContact O-CG 3.2Å; R331-R334 PolarHBondContact O-N 3.07Å; C332-R334 PolarHBondContact O-N 3.12Å; R334-T336 PolarHBondContact O-N 2.59Å; R334-V434 VanDerWaalsContact CZ-CG2 3.44Å; R334-V434 VanDerWaalsContact NH2-CG2 3.33Å; R334-A437 HydrophobicContact CB-CB 4.49Å; R334-A437 HydrophobicContact CG-CB 3.78Å |
| 335 | Y | 86.1 | Confident | 84.4 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 132.6 | 168.4 | -71.8 | -68.7 | 0 | 0 | 0 | 111.2 | D339 L340 L343 D388 R397 W432 L433 E436 L474 | Y335-D339 HydrophobicContact CD1-CB 3.74Å; Y335-L340 HydrophobicContact CD2-CD2 4.49Å; Y335-L340 HydrophobicContact CG-CD2 4.16Å; Y335-L343 HydrophobicContact CD1-CD1 3.7Å; Y335-L343 HydrophobicContact CE1-CD1 3.41Å; Y335-L343 VanDerWaalsContact CE1-CD1 3.41Å; Y335-L343 HydrophobicContact CE2-CD1 4.49Å; Y335-L343 HydrophobicContact CG-CD1 4.34Å; Y335-D388 WeakPolarHBondContact CE1-OD2 3.13Å; Y335-D388 PolarHBondContact OH-OD2 3.11Å; Y335-R397 VanDerWaalsContact CE2-CZ 3.41Å; Y335-R397 PolarHBondContact OH-NH2 2.97Å; Y335-W432 HydrophobicContact CD2-CZ3 4.44Å; Y335-L433 HydrophobicContact CD2-CD2 4.47Å; Y335-E436 HydrophobicContact CE2-CG 4.3Å; Y335-L474 HydrophobicContact CD2-CD1 4.18Å; Y335-L474 HydrophobicContact CE2-CB 4.5Å; Y335-L474 HydrophobicContact CE2-CD1 3.88Å; Y335-L474 HydrophobicContact CE2-CD2 4.38Å; Y335-L474 HydrophobicContact CE2-CG 4.48Å |
| 336 | T | 81.9 | Confident | 82.7 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 166.9 | 171.1 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | R274 R334 E338 D339 L340 | R274-T336 VanDerWaalsContact NH2-CG2 3.34Å; R334-T336 PolarHBondContact O-N 2.59Å; T336-E338 PolarHBondContact O-N 2.8Å; T336-E338 PolarHBondContact OG1-N 3.02Å; T336-D339 WeakPolarHBondContact CB-OD2 3.46Å; T336-D339 WeakPolarHBondContact CG2-OD2 3.45Å; T336-D339 PolarHBondContact N-OD2 3Å; T336-D339 PolarHBondContact O-N 2.8Å; T336-D339 PolarHBondContact OG1-N 3.05Å; T336-D339 PolarHBondContact OG1-OD2 3.05Å; T336-L340 VanDerWaalsContact O-CG 3.27Å; T336-L340 WeakPolarHBondContact O-CG 3.45Å; T336-L340 PolarHBondContact O-N 3.09Å |
| 337 | E | 79.5 | Confident | 81.3 | Confident | 177 Ų | 177 | 51 Ų | 51 | 83% | 0.827 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.8 | -31.2 | 173.9 | -67.6 | -169.9 | 173.2 | 0 | 0 | 112 | A341 | E337-A341 VanDerWaalsContact O-CB 3.28Å; E337-A341 WeakPolarHBondContact O-CB 3.29Å; E337-A341 PolarHBondContact O-N 3.24Å |
| 338 | E | 78 | Confident | 80.1 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.8 | -47.8 | 174 | -174.7 | 169.3 | -167 | 0 | 0 | 111.1 | T336 L340 A341 L342 | T336-E338 PolarHBondContact O-N 2.8Å; T336-E338 PolarHBondContact OG1-N 3.02Å; E338-L340 VanDerWaalsContact C-N 3.28Å; E338-L340 PolarHBondContact O-N 2.91Å; E338-A341 WeakPolarHBondContact O-CB 3.37Å; E338-A341 PolarHBondContact O-N 2.81Å; E338-L342 HydrophobicContact CG-CD1 4.47Å; E338-L342 WeakPolarHBondContact O-CG 3.48Å; E338-L342 PolarHBondContact O-N 3.2Å |
| 339 | D | 80 | Confident | 79.3 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 175 | -59.3 | -45.8 | 0 | 0 | 0 | 110.6 | Y335 T336 A341 L342 L343 N395 | Y335-D339 HydrophobicContact CD1-CB 3.74Å; T336-D339 WeakPolarHBondContact CB-OD2 3.46Å; T336-D339 WeakPolarHBondContact CG2-OD2 3.45Å; T336-D339 PolarHBondContact N-OD2 3Å; T336-D339 PolarHBondContact O-N 2.8Å; T336-D339 PolarHBondContact OG1-N 3.05Å; T336-D339 PolarHBondContact OG1-OD2 3.05Å; D339-A341 VanDerWaalsContact C-N 3.32Å; D339-A341 PolarHBondContact O-N 2.89Å; D339-L342 PolarHBondContact O-N 3.16Å; D339-L343 VanDerWaalsContact O-CB 3.28Å; D339-L343 WeakPolarHBondContact O-CB 3.5Å; D339-L343 VanDerWaalsContact O-CG 3.23Å; D339-L343 WeakPolarHBondContact O-CG 3.28Å; D339-L343 PolarHBondContact O-N 3.32Å; D339-N395 PolarHBondContact OD1-ND2 3.22Å |
| 340 | L | 82.3 | Confident | 78.6 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -34.1 | 177.8 | -66.5 | 175.9 | 0 | 0 | 0 | 112.5 | Y335 T336 E338 L343 K344 W432 L433 L474 | Y335-L340 HydrophobicContact CD2-CD2 4.49Å; Y335-L340 HydrophobicContact CG-CD2 4.16Å; T336-L340 VanDerWaalsContact O-CG 3.27Å; T336-L340 WeakPolarHBondContact O-CG 3.45Å; T336-L340 PolarHBondContact O-N 3.09Å; E338-L340 VanDerWaalsContact C-N 3.28Å; E338-L340 PolarHBondContact O-N 2.91Å; L340-L343 HydrophobicContact CD2-CD1 4.47Å; L340-L343 PolarHBondContact O-N 3.38Å; L340-K344 WeakPolarHBondContact O-CG 3.37Å; L340-K344 PolarHBondContact O-N 3.23Å; L340-W432 HydrophobicContact CD1-CZ2 4.49Å; L340-W432 HydrophobicContact CD2-CH2 3.68Å; L340-W432 HydrophobicContact CD2-CZ2 4.13Å; L340-L433 HydrophobicContact CD1-CD2 4.21Å; L340-L433 HydrophobicContact CD2-CD2 4.46Å; L340-L474 HydrophobicContact CD2-CD1 4.32Å |
| 341 | A | 77.6 | Confident | 77.8 | Confident | 50 Ų | 50 | 64 Ų | 64 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E337 E338 D339 | E337-A341 VanDerWaalsContact O-CB 3.28Å; E337-A341 WeakPolarHBondContact O-CB 3.29Å; E337-A341 PolarHBondContact O-N 3.24Å; E338-A341 WeakPolarHBondContact O-CB 3.37Å; E338-A341 PolarHBondContact O-N 2.81Å; D339-A341 VanDerWaalsContact C-N 3.32Å; D339-A341 PolarHBondContact O-N 2.89Å |
| 342 | L | 74.4 | Confident | 77.2 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 171.5 | -65.9 | 172.2 | 0 | 0 | 0 | 110.6 | E338 D339 K344 | E338-L342 HydrophobicContact CG-CD1 4.47Å; E338-L342 WeakPolarHBondContact O-CG 3.48Å; E338-L342 PolarHBondContact O-N 3.2Å; D339-L342 PolarHBondContact O-N 3.16Å; L342-K344 VanDerWaalsContact C-N 3.33Å; L342-K344 PolarHBondContact O-N 3.03Å |
| 343 | L | 74.6 | Confident | 76.6 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.2 | -18 | -179.6 | -77.2 | 171 | 0 | 0 | 0 | 115.4 | Y335 D339 L340 F345 N346 I347 D388 L474 | Y335-L343 HydrophobicContact CD1-CD1 3.7Å; Y335-L343 HydrophobicContact CE1-CD1 3.41Å; Y335-L343 VanDerWaalsContact CE1-CD1 3.41Å; Y335-L343 HydrophobicContact CE2-CD1 4.49Å; Y335-L343 HydrophobicContact CG-CD1 4.34Å; D339-L343 VanDerWaalsContact O-CB 3.28Å; D339-L343 WeakPolarHBondContact O-CB 3.5Å; D339-L343 VanDerWaalsContact O-CG 3.23Å; D339-L343 WeakPolarHBondContact O-CG 3.28Å; D339-L343 PolarHBondContact O-N 3.32Å; L340-L343 HydrophobicContact CD2-CD1 4.47Å; L340-L343 PolarHBondContact O-N 3.38Å; L343-F345 PolarHBondContact O-N 3.37Å; L343-N346 WeakPolarHBondContact O-CA 3.43Å; L343-N346 PolarHBondContact O-N 2.87Å; L343-I347 HydrophobicContact CB-CD1 4.13Å; L343-I347 HydrophobicContact CB-CG1 4.42Å; L343-I347 PolarHBondContact O-N 2.57Å; L343-D388 HydrophobicContact CD2-CB 3.83Å; L343-L474 HydrophobicContact CD1-CD1 4.24Å; L343-L474 HydrophobicContact CD1-CD2 4.32Å |
| 344 | K | 63.6 | Low | 75.9 | Confident | 144 Ų | 144 | 75.1 Ų | 75.1 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.5 | -174.7 | -96.1 | 170.6 | -168.5 | 171.8 | 0 | 113.6 | L340 L342 N346 | L340-K344 WeakPolarHBondContact O-CG 3.37Å; L340-K344 PolarHBondContact O-N 3.23Å; L342-K344 VanDerWaalsContact C-N 3.33Å; L342-K344 PolarHBondContact O-N 3.03Å; K344-N346 VanDerWaalsContact C-N 3.35Å |
| 345 | F | 56.5 | Low | 75.3 | Confident | 143 Ų | 143 | 72.6 Ų | 72.6 | 63% | 0.627 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -25.2 | 173.5 | -64.4 | -77.7 | 0 | 0 | 0 | 113.5 | L343 | L343-F345 PolarHBondContact O-N 3.37Š|
| 346 | N | 60.1 | Low | 74.5 | Confident | 34 Ų | 34 | 77 Ų | 77 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 0.3 | -172.6 | -63.3 | -13.1 | 0 | 0 | 0 | 114 | L343 K344 D388 N514 | L343-N346 WeakPolarHBondContact O-CA 3.43Å; L343-N346 PolarHBondContact O-N 2.87Å; K344-N346 VanDerWaalsContact C-N 3.35Å; N346-D388 PolarHBondContact ND2-O 3.01Å; N346-N514 PolarHBondContact O-ND2 3.12Å |
| 347 | I | 65.7 | Low | 73.6 | Confident | 56 Ų | 56 | 83.2 Ų | 83.2 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -90.9 | -13.3 | -180 | -62.6 | 167.9 | 0 | 0 | 0 | 112.2 | L343 V473 L474 | L343-I347 HydrophobicContact CB-CD1 4.13Å; L343-I347 HydrophobicContact CB-CG1 4.42Å; L343-I347 PolarHBondContact O-N 2.57Å; I347-V473 VanDerWaalsContact O-CG2 3.29Å; I347-V473 WeakPolarHBondContact O-CG2 3.23Å; I347-L474 HydrophobicContact CD1-CD1 4.14Å; I347-L474 HydrophobicContact CG1-CD1 4.35Å; I347-L474 HydrophobicContact CG1-CG 4.43Å |
| 348 | E | 70.3 | Confident | 72.7 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 68% | 0.682 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -89.1 | 171.4 | 179.6 | -63 | -170.6 | 171.3 | 0 | 0 | 112.8 | D350 N514 | E348-D350 PolarHBondContact O-N 3.1Å; E348-N514 PolarHBondContact O-ND2 2.88Å |
| 349 | C | 77.1 | Confident | 72 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 67% | 0.669 | 39% | 0.391 | S | S | * | . | trans | -70 | 92.7 | 170.9 | -67.3 | 0 | 0 | 0 | 0 | 110 | P513 | C349-P513 HydrophobicContact CB-CB 4.25Š| ||
| 350 | D | 80.5 | Confident | 71.1 | Confident | 13 Ų | 13 | 76.8 Ų | 76.8 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | trans | -105.1 | 5 | -170.3 | 69.2 | -20.8 | 0 | 0 | 0 | 113.9 | E348 N352 V353 P513 N514 K515 | E348-D350 PolarHBondContact O-N 3.1Å; D350-N352 PolarHBondContact O-N 3.1Å; D350-V353 HydrophobicContact CB-CB 4.35Å; D350-V353 HydrophobicContact CB-CG2 4.13Å; D350-V353 WeakPolarHBondContact O-CB 3.18Å; D350-V353 PolarHBondContact O-N 3.35Å; D350-P513 PolarHBondContact N-O 2.87Å; D350-N514 VanDerWaalsContact OD1-CA 3.26Å; D350-N514 WeakPolarHBondContact OD1-CA 3.4Å; D350-N514 PolarHBondContact OD1-ND2 3.48Å; D350-K515 VanDerWaalsContact O-CE 3.25Å; D350-K515 WeakPolarHBondContact O-CE 3.3Å; D350-K515 PolarHBondContact OD1-N 3.38Å | ||
| 351 | Q | 77.5 | Confident | 69.7 | Low | 53 Ų | 53 | 82.8 Ų | 82.8 | 25% | 0.248 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -29.5 | -180 | 60.1 | 175.5 | 31.4 | 0 | 0 | 115.1 | P513 Q555 | Q351-P513 VanDerWaalsContact CB-O 3.26Å; Q351-P513 WeakPolarHBondContact CB-O 3.29Å; Q351-P513 WeakPolarHBondContact CG-O 3.31Å; Q351-P513 PolarHBondContact N-O 3.21Å; Q351-P513 VanDerWaalsContact N-O 3.12Å; Q351-P513 VanDerWaalsContact OE1-CA 3.29Å; Q351-Q555 PolarHBondContact O-NE2 3.06Å |
| 352 | N | 79.5 | Confident | 68.3 | Low | 135 Ų | 135 | 84.4 Ų | 84.4 | 72% | 0.722 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -3.9 | -178.1 | -66.5 | -31.9 | 0 | 0 | 0 | 113.8 | D350 P354 | D350-N352 PolarHBondContact O-N 3.1Å; N352-P354 WeakPolarHBondContact O-CD 3.36Å |
| 353 | V | 79.2 | Confident | 66.8 | Low | 86 Ų | 86 | 85.4 Ų | 85.4 | 52% | 0.521 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -79.2 | 120.3 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 107 | D350 K515 Q555 | D350-V353 HydrophobicContact CB-CB 4.35Å; D350-V353 HydrophobicContact CB-CG2 4.13Å; D350-V353 WeakPolarHBondContact O-CB 3.18Å; D350-V353 PolarHBondContact O-N 3.35Å; V353-K515 WeakPolarHBondContact O-CE 3.24Å; V353-K515 PolarHBondContact O-NZ 3.1Å; V353-Q555 PolarHBondContact O-NE2 2.91Å; V353-Q555 PolarHBondContact O-OE1 2.96Å |
| 354 | P | 79.3 | Confident | 64.7 | Low | 102 Ų | 102 | 91.1 Ų | 91.1 | 66% | 0.662 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 140.6 | 178.8 | -26.2 | 36 | 0 | 0 | 0 | 112.9 | N352 | N352-P354 WeakPolarHBondContact O-CD 3.36Š|
| 355 | D | 77.4 | Confident | 63.1 | Low | 27 Ų | 27 | 95.7 Ų | 95.7 | 14% | 0.144 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 143.1 | 170.9 | -67.2 | -26.7 | 0 | 0 | 0 | 110 | I360 K515 Q555 A556 R557 | D355-I360 HydrophobicContact CB-CD1 3.9Å; D355-I360 HydrophobicContact CB-CG1 3.85Å; D355-K515 IonicContact OD1-NZ 2.59Å; D355-K515 PolarHBondContact OD1-NZ 3.26Å; D355-Q555 PolarHBondContact OD1-OE1 3.07Å; D355-Q555 VanDerWaalsContact OD2-C 3.3Å; D355-Q555 WeakPolarHBondContact OD2-CB 3.47Å; D355-A556 WeakPolarHBondContact OD2-CA 3.22Å; D355-A556 PolarHBondContact OD2-N 2.63Å; D355-R557 PolarHBondContact OD2-N 3.41Å |
| 356 | R | 70.1 | Confident | 61.6 | Low | 109 Ų | 109 | 99.6 Ų | 99.6 | 41% | 0.411 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -79 | 151 | 173.2 | -53.5 | 177.6 | -175.2 | 167.3 | 10.7 | 108.8 | E358 D359 I360 | R356-E358 HydrophobicContact CB-CG 3.76Å; R356-E358 WeakPolarHBondContact CD-OE1 3.41Å; R356-E358 IonicContact NH1-OE1 3.93Å; R356-E358 PolarHBondContact NH1-OE1 2.96Å; R356-E358 PolarHBondContact O-N 3.06Å; R356-E358 VanDerWaalsContact O-N 3.1Å; R356-D359 VanDerWaalsContact CB-OD2 3.25Å; R356-D359 WeakPolarHBondContact CB-OD2 3.18Å; R356-D359 WeakPolarHBondContact CG-OD2 3.42Å; R356-D359 PolarHBondContact N-OD2 3.13Å; R356-D359 WeakPolarHBondContact O-CB 3.38Å; R356-D359 PolarHBondContact O-N 2.68Å; R356-I360 WeakPolarHBondContact O-CG1 3.37Å |
| 357 | E | 62.9 | Low | 59.9 | Low | 139 Ų | 139 | 101.2 Ų | 101.2 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57 | -29.2 | 176.9 | -71.7 | -173.9 | -164 | 0 | 0 | 113.1 | D359 R361 | E357-D359 VanDerWaalsContact C-N 3.31Å; E357-R361 WeakPolarHBondContact O-CG 3.35Å; E357-R361 PolarHBondContact O-N 3.26Å; E357-R361 IonicContact OE2-NH2 2.8Å; E357-R361 PolarHBondContact OE2-NH2 3.07Å |
| 358 | E | 61.2 | Low | 58.3 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.6 | -26.1 | 176.1 | 60.1 | -164.1 | -174.5 | 0 | 0 | 113.2 | R356 | R356-E358 HydrophobicContact CB-CG 3.76Å; R356-E358 WeakPolarHBondContact CD-OE1 3.41Å; R356-E358 IonicContact NH1-OE1 3.93Å; R356-E358 PolarHBondContact NH1-OE1 2.96Å; R356-E358 PolarHBondContact O-N 3.06Å; R356-E358 VanDerWaalsContact O-N 3.1Å |
| 359 | D | 62 | Low | 56.3 | Low | 30 Ų | 30 | 104 Ų | 104 | 16% | 0.16 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -82.9 | -19.4 | -179.6 | -51 | -28.8 | 0 | 0 | 0 | 112.5 | R356 E357 | R356-D359 VanDerWaalsContact CB-OD2 3.25Å; R356-D359 WeakPolarHBondContact CB-OD2 3.18Å; R356-D359 WeakPolarHBondContact CG-OD2 3.42Å; R356-D359 PolarHBondContact N-OD2 3.13Å; R356-D359 WeakPolarHBondContact O-CB 3.38Å; R356-D359 PolarHBondContact O-N 2.68Å; E357-D359 VanDerWaalsContact C-N 3.31Å |
| 360 | I | 62.4 | Low | 54 | Low | 38 Ų | 38 | 104.4 Ų | 104.4 | 20% | 0.195 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -96.4 | -32.9 | -174 | -54.4 | 166.7 | 0 | 0 | 0 | 111.5 | D355 R356 A556 E603 | D355-I360 HydrophobicContact CB-CD1 3.9Å; D355-I360 HydrophobicContact CB-CG1 3.85Å; R356-I360 WeakPolarHBondContact O-CG1 3.37Å; I360-A556 HydrophobicContact CD1-CB 3.71Å; I360-A556 HydrophobicContact CG1-CB 3.84Å; I360-A556 HydrophobicContact CG2-CB 4.01Å; I360-E603 WeakPolarHBondContact CG2-OE1 3.5Å |
| 361 | R | 52.3 | Low | 51.7 | Low | 156 Ų | 156 | 107.2 Ų | 107.2 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -65 | 136.1 | -175.9 | -73.3 | 176 | -166.7 | -173.8 | 8.2 | 109.9 | E357 Y390 | E357-R361 WeakPolarHBondContact O-CG 3.35Å; E357-R361 PolarHBondContact O-N 3.26Å; E357-R361 IonicContact OE2-NH2 2.8Å; E357-R361 PolarHBondContact OE2-NH2 3.07Å; R361-Y390 PolarHBondContact O-OH 2.99Å; R361-Y390 VanDerWaalsContact O-OH 3.11Å |
| 362 | P | 47.1 | Very low | 49.3 | Very low | 85 Ų | 85 | 106.9 Ų | 106.9 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.2 | 169.6 | 6.3 | -6.7 | 0 | 0 | 0 | 108.6 | V364 | P362-V364 PolarHBondContact O-N 2.98Š|
| 363 | P | 43.8 | Very low | 46.9 | Very low | 81 Ų | 81 | 104.9 Ų | 104.9 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 123.5 | -176 | 6.9 | -12.9 | 0 | 0 | 0 | 107.9 | R365 Y390 | P363-R365 VanDerWaalsContact C-N 3.26Å; P363-R365 PolarHBondContact O-N 2.78Å; P363-Y390 WeakPolarHBondContact CA-OH 3.35Å; P363-Y390 HydrophobicContact CB-CE1 3.87Å; P363-Y390 VanDerWaalsContact CB-OH 3.25Å; P363-Y390 WeakPolarHBondContact CB-OH 3.35Å; P363-Y390 WeakPolarHBondContact CD-OH 3.49Å; P363-Y390 WeakPolarHBondContact CG-OH 3.35Å |
| 364 | V | 31.3 | Very low | 44.2 | Very low | 126 Ų | 126 | 106.6 Ų | 106.6 | 76% | 0.764 | 57% | 0.571 | S | S | * | * | trans | -55.7 | 109.7 | 156.4 | 176.6 | 0 | 0 | 0 | 0 | 102.6 | P362 R366 | P362-V364 PolarHBondContact O-N 2.98Å; V364-R366 PolarHBondContact O-N 3.36Å | ||
| 365 | R | 28.1 | Very low | 41.8 | Very low | 239 Ų | 239 | 107.8 Ų | 107.8 | 90% | 0.902 | 57% | 0.566 | S | S | * | * | trans | -59.2 | 74.9 | 170.7 | -66.8 | -175.1 | -176.7 | -160.4 | 0.7 | 106.6 | P363 G367 | P363-R365 VanDerWaalsContact C-N 3.26Å; P363-R365 PolarHBondContact O-N 2.78Å; R365-G367 VanDerWaalsContact C-N 3.31Å; R365-G367 PolarHBondContact O-N 3.1Å | ||
| 366 | R | 25.5 | Very low | 39.3 | Very low | 225 Ų | 225 | 111.3 Ų | 111.3 | 85% | 0.849 | 59% | 0.588 | S | S | * | * | trans | -56.6 | 111.1 | 155.1 | -80.7 | -173.7 | 176.5 | 167.6 | 2 | 101.5 | V364 K368 | V364-R366 PolarHBondContact O-N 3.36Å; R366-K368 PolarHBondContact O-N 3.02Å | ||
| 367 | G | 25.5 | Very low | 37.4 | Very low | 68 Ų | 68 | 114.6 Ų | 114.6 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | trans | -41.6 | 120.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | R365 | R365-G367 VanDerWaalsContact C-N 3.31Å; R365-G367 PolarHBondContact O-N 3.1Å | ||
| 368 | K | 32.1 | Very low | 35.9 | Very low | 168 Ų | 168 | 115.3 Ų | 115.3 | 73% | 0.73 | 62% | 0.617 | S | S | * | * | trans | -40.7 | 130.4 | 161.2 | -68.9 | -178.9 | 173 | -171.4 | 0 | 105.1 | R366 A370 | R366-K368 PolarHBondContact O-N 3.02Å; K368-A370 PolarHBondContact O-N 3.05Å; K368-A370 VanDerWaalsContact O-N 3.12Å | ||
| 369 | P | 27.7 | Very low | 35 | Very low | 93 Ų | 93 | 114.3 Ų | 114.3 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | trans | -49.5 | 131.1 | 156.6 | 24.5 | -31.4 | 0 | 0 | 0 | 104.9 | H371 | P369-H371 PolarHBondContact O-N 3.37Š| ||
| 370 | A | 28 | Very low | 34.4 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 88% | 0.884 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -69.2 | 48.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K368 | K368-A370 PolarHBondContact O-N 3.05Å; K368-A370 VanDerWaalsContact O-N 3.12Å |
| 371 | H | 32 | Very low | 33.9 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 34% | 0.338 | 63% | 0.625 | S | S | . | * | trans | -78.5 | 116.5 | 167.9 | -60.1 | -50.2 | 0 | 0 | 0 | 107.2 | E250 P369 | E250-H371 IonicContact OE1-CE1 2.65Å; E250-H371 IonicContact OE2-CE1 3.8Å; E250-H371 IonicContact OE2-ND1 2.92Å; P369-H371 PolarHBondContact O-N 3.37Å | ||
| 372 | G | 28.2 | Very low | 34.1 | Very low | 46 Ų | 46 | 108.5 Ų | 108.5 | 47% | 0.474 | 60% | 0.598 | S | S | . | * | trans | -50.3 | 156.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 373 | I | 28.6 | Very low | 34.3 | Very low | 93 Ų | 93 | 107.3 Ų | 107.3 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | cis | -138.7 | 145.9 | 34.9 | -73.6 | 152.4 | 0 | 0 | 0 | 108.9 | E309 F375 | E309-I373 VanDerWaalsContact OE1-CD1 3.29Å; E309-I373 WeakPolarHBondContact OE1-CD1 3.31Å; I373-F375 VanDerWaalsContact C-N 3.32Å; I373-F375 HydrophobicContact CB-CD2 4.03Å; I373-F375 HydrophobicContact CB-CE2 3.91Å; I373-F375 HydrophobicContact CD1-CE2 4.08Å; I373-F375 HydrophobicContact CG2-CD2 3.56Å; I373-F375 HydrophobicContact CG2-CE2 3.49Å; I373-F375 VanDerWaalsContact CG2-CE2 3.49Å; I373-F375 HydrophobicContact CG2-CG 4.18Å; I373-F375 HydrophobicContact CG2-CZ 4.05Å; I373-F375 PolarHBondContact O-N 3.4Å; I373-F375 VanDerWaalsContact O-N 3.08Å | ||
| 374 | S | 22.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 108.7 Ų | 108.7 | 85% | 0.846 | 59% | 0.588 | S | S | * | * | trans | -72.5 | 90.4 | 160.7 | 170.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 375 | F | 29.8 | Very low | 35.9 | Very low | 128 Ų | 128 | 104.2 Ų | 104.2 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | trans | -79.1 | 144.1 | 151.2 | -75.6 | -78.3 | 0 | 0 | 0 | 107.1 | I373 D377 | I373-F375 VanDerWaalsContact C-N 3.32Å; I373-F375 HydrophobicContact CB-CD2 4.03Å; I373-F375 HydrophobicContact CB-CE2 3.91Å; I373-F375 HydrophobicContact CD1-CE2 4.08Å; I373-F375 HydrophobicContact CG2-CD2 3.56Å; I373-F375 HydrophobicContact CG2-CE2 3.49Å; I373-F375 VanDerWaalsContact CG2-CE2 3.49Å; I373-F375 HydrophobicContact CG2-CG 4.18Å; I373-F375 HydrophobicContact CG2-CZ 4.05Å; I373-F375 PolarHBondContact O-N 3.4Å; I373-F375 VanDerWaalsContact O-N 3.08Å; F375-D377 PolarHBondContact O-N 3.47Å | ||
| 376 | T | 24.6 | Very low | 37.3 | Very low | 100 Ų | 100 | 93.1 Ų | 93.1 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | trans | -42.2 | 133.9 | 172.2 | 37.1 | 0 | 0 | 0 | 0 | 109.9 | E378 | T376-E378 PolarHBondContact O-N 2.95Š| ||
| 377 | D | 29.3 | Very low | 38.9 | Very low | 178 Ų | 178 | 85.3 Ų | 85.3 | 95% | 0.952 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 11.3 | -171.3 | -80.9 | -43.5 | 0 | 0 | 0 | 115.9 | F375 | F375-D377 PolarHBondContact O-N 3.47Š|
| 378 | E | 33 | Very low | 40.4 | Very low | 154 Ų | 154 | 82.6 Ų | 82.6 | 72% | 0.72 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | -13.5 | -167.7 | -68.9 | 172.6 | -176.8 | 0 | 0 | 115.1 | T376 | T376-E378 PolarHBondContact O-N 2.95Š|
| 379 | D | 40.9 | Very low | 41.4 | Very low | 92 Ų | 92 | 75.4 Ų | 75.4 | 49% | 0.492 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -82.6 | 130.1 | 175.1 | -75.3 | -48.5 | 0 | 0 | 0 | 110.9 | N381 | D379-N381 PolarHBondContact O-N 3.16Š|
| 380 | V | 50.2 | Low | 42.5 | Very low | 41 Ų | 41 | 76.1 Ų | 76.1 | 25% | 0.248 | 43% | 0.428 | C | S | . | . | trans | -55.9 | 96.4 | 175 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | R485 | V380-R485 PolarHBondContact O-NH1 2.9Š| ||
| 381 | N | 52.2 | Low | 43.4 | Very low | 58 Ų | 58 | 74.3 Ų | 74.3 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | trans | -69.6 | 138 | -179.2 | -174.9 | -8 | 0 | 0 | 0 | 109.4 | D379 E383 D384 A385 | D379-N381 PolarHBondContact O-N 3.16Å; N381-E383 PolarHBondContact ND2-OE2 3.18Å; N381-E383 PolarHBondContact O-N 2.93Å; N381-E383 PolarHBondContact OD1-N 3.17Å; N381-D384 PolarHBondContact O-N 2.75Å; N381-A385 PolarHBondContact O-N 2.93Å | ||
| 382 | I | 55 | Low | 44.7 | Very low | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.7 | -34.5 | 173.2 | -71.4 | 175.8 | 0 | 0 | 0 | 110.9 | L386 A401 D405 A444 W481 | I382-L386 HydrophobicContact CG2-CD1 3.63Å; I382-L386 HydrophobicContact CG2-CG 4.22Å; I382-L386 WeakPolarHBondContact O-CB 3.36Å; I382-L386 VanDerWaalsContact O-CG 3.31Å; I382-L386 WeakPolarHBondContact O-CG 3.31Å; I382-L386 PolarHBondContact O-N 2.77Å; I382-L386 VanDerWaalsContact O-N 3.09Å; I382-A401 HydrophobicContact CG2-CB 3.73Å; I382-D405 HydrophobicContact CD1-CB 3.26Å; I382-D405 VanDerWaalsContact CD1-CG 3.4Å; I382-D405 WeakPolarHBondContact CD1-OD2 3.37Å; I382-A444 HydrophobicContact CD1-CB 4.08Å; I382-W481 HydrophobicContact CB-CZ2 4.4Å; I382-W481 HydrophobicContact CD1-CH2 4.39Å; I382-W481 HydrophobicContact CG1-CH2 3.86Å; I382-W481 HydrophobicContact CG1-CZ2 3.58Å |
| 383 | E | 52 | Low | 46.6 | Very low | 60 Ų | 60 | 71.8 Ų | 71.8 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 178.8 | -64.6 | -178.1 | 161.5 | 0 | 0 | 112.2 | N381 A385 L386 D387 W394 | N381-E383 PolarHBondContact ND2-OE2 3.18Å; N381-E383 PolarHBondContact O-N 2.93Å; N381-E383 PolarHBondContact OD1-N 3.17Å; E383-A385 VanDerWaalsContact C-N 3.33Å; E383-A385 PolarHBondContact O-N 3.13Å; E383-L386 PolarHBondContact O-N 3.35Å; E383-D387 PolarHBondContact O-N 3.09Å; E383-D387 VanDerWaalsContact O-N 3.13Å; E383-W394 HydrophobicContact CG-CZ3 4.2Å; E383-W394 WeakPolarHBondContact OE1-CZ3 3.44Å |
| 384 | D | 55.7 | Low | 49.1 | Very low | 111 Ų | 111 | 71.7 Ų | 71.7 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | -177.6 | -61.4 | -33.5 | 0 | 0 | 0 | 111.1 | N381 D387 | N381-D384 PolarHBondContact O-N 2.75Å; D384-D387 PolarHBondContact O-N 3.17Å |
| 385 | A | 53.2 | Low | 52.2 | Low | 32 Ų | 32 | 67.2 Ų | 67.2 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.3 | -25.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N381 E383 W481 | N381-A385 PolarHBondContact O-N 2.93Å; E383-A385 VanDerWaalsContact C-N 3.33Å; E383-A385 PolarHBondContact O-N 3.13Å; A385-W481 HydrophobicContact CB-CD2 4.16Å; A385-W481 HydrophobicContact CB-CG 3.78Å |
| 386 | L | 57.6 | Low | 55 | Low | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3 | 175 | -65.4 | -179.2 | 0 | 0 | 0 | 112.3 | I382 E383 D388 K398 A401 L440 | I382-L386 HydrophobicContact CG2-CD1 3.63Å; I382-L386 HydrophobicContact CG2-CG 4.22Å; I382-L386 WeakPolarHBondContact O-CB 3.36Å; I382-L386 VanDerWaalsContact O-CG 3.31Å; I382-L386 WeakPolarHBondContact O-CG 3.31Å; I382-L386 PolarHBondContact O-N 2.77Å; I382-L386 VanDerWaalsContact O-N 3.09Å; E383-L386 PolarHBondContact O-N 3.35Å; L386-D388 PolarHBondContact O-N 3.4Å; L386-K398 HydrophobicContact CB-CD 4.48Å; L386-K398 HydrophobicContact CB-CG 3.76Å; L386-K398 HydrophobicContact CD1-CB 4.4Å; L386-K398 HydrophobicContact CD1-CG 4.02Å; L386-K398 WeakPolarHBondContact O-CE 3.38Å; L386-A401 HydrophobicContact CD1-CB 3.85Å; L386-L440 HydrophobicContact CD1-CD1 4.36Å; L386-L440 HydrophobicContact CD1-CD2 4.35Å; L386-L440 HydrophobicContact CD2-CD1 4.16Å; L386-L440 HydrophobicContact CD2-CD2 4.14Å |
| 387 | D | 58.9 | Low | 58.1 | Low | 60 Ų | 60 | 57.1 Ų | 57.1 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | trans | -76.2 | 69 | 177.1 | -144.2 | 23.5 | 0 | 0 | 0 | 111.2 | E383 D384 D389 K398 | E383-D387 PolarHBondContact O-N 3.09Å; E383-D387 VanDerWaalsContact O-N 3.13Å; D384-D387 PolarHBondContact O-N 3.17Å; D387-D389 VanDerWaalsContact C-N 3.28Å; D387-D389 PolarHBondContact O-N 3.09Å; D387-K398 IonicContact OD1-NZ 2.78Å; D387-K398 PolarHBondContact OD1-NZ 3.25Å | ||
| 388 | D | 57.9 | Low | 61 | Low | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | trans | -70.7 | -18.7 | -170 | -78.7 | 1.5 | 0 | 0 | 0 | 113.8 | Y335 L343 N346 L386 K516 | Y335-D388 WeakPolarHBondContact CE1-OD2 3.13Å; Y335-D388 PolarHBondContact OH-OD2 3.11Å; L343-D388 HydrophobicContact CD2-CB 3.83Å; N346-D388 PolarHBondContact ND2-O 3.01Å; L386-D388 PolarHBondContact O-N 3.4Å; D388-K516 VanDerWaalsContact CG-NZ 3.28Å; D388-K516 IonicContact OD1-NZ 3.63Å; D388-K516 PolarHBondContact OD1-NZ 2.67Å; D388-K516 IonicContact OD2-NZ 3.65Å | ||
| 389 | D | 52.3 | Low | 63.8 | Low | 18 Ų | 18 | 41.9 Ų | 41.9 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | trans | -175.2 | 138.2 | 175.4 | -132 | -14.3 | 0 | 0 | 0 | 107.3 | D387 A391 S392 | D387-D389 VanDerWaalsContact C-N 3.28Å; D387-D389 PolarHBondContact O-N 3.09Å; D389-A391 HydrophobicContact CB-CB 4.27Å; D389-A391 PolarHBondContact O-N 3.26Å; D389-S392 PolarHBondContact O-N 2.92Å; D389-S392 PolarHBondContact O-OG 3.49Å | ||
| 390 | Y | 50.2 | Low | 66.3 | Low | 108 Ų | 108 | 37.5 Ų | 37.5 | 42% | 0.424 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -18.6 | 171.3 | -89.2 | -88.4 | 0 | 0 | 0 | 113.2 | R361 P363 | R361-Y390 PolarHBondContact O-OH 2.99Å; R361-Y390 VanDerWaalsContact O-OH 3.11Å; P363-Y390 WeakPolarHBondContact CA-OH 3.35Å; P363-Y390 HydrophobicContact CB-CE1 3.87Å; P363-Y390 VanDerWaalsContact CB-OH 3.25Å; P363-Y390 WeakPolarHBondContact CB-OH 3.35Å; P363-Y390 WeakPolarHBondContact CD-OH 3.49Å; P363-Y390 WeakPolarHBondContact CG-OH 3.35Å |
| 391 | A | 48 | Very low | 68.4 | Low | 69 Ų | 69 | 35.6 Ų | 35.6 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -29.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D389 G393 | D389-A391 HydrophobicContact CB-CB 4.27Å; D389-A391 PolarHBondContact O-N 3.26Å; A391-G393 PolarHBondContact O-N 3.37Å |
| 392 | S | 58.7 | Low | 70.3 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -95.6 | 93.4 | 177.7 | 71.5 | 0 | 0 | 0 | 0 | 110.1 | D389 K398 | D389-S392 PolarHBondContact O-N 2.92Å; D389-S392 PolarHBondContact O-OG 3.49Å; S392-K398 PolarHBondContact O-NZ 3.33Å |
| 393 | G | 68.3 | Low | 72.2 | Confident | 50 Ų | 50 | 33 Ų | 33 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | trans | -61.1 | -164.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | A391 N395 | A391-G393 PolarHBondContact O-N 3.37Å; G393-N395 PolarHBondContact O-N 2.98Å | ||
| 394 | W | 81.4 | Confident | 74.3 | Confident | 92 Ų | 92 | 30.2 Ų | 30.2 | 35% | 0.348 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -55.4 | 124 | 172.6 | -174.3 | -108.3 | 0 | 0 | 0 | 110.8 | E302 E383 K398 C399 A402 | E302-W394 PolarHBondContact OE1-NE1 3.46Å; E383-W394 HydrophobicContact CG-CZ3 4.2Å; E383-W394 WeakPolarHBondContact OE1-CZ3 3.44Å; W394-K398 HydrophobicContact CE3-CB 4.25Å; W394-K398 HydrophobicContact CZ3-CB 4.32Å; W394-C399 HydrophobicContact CH2-CB 4.39Å; W394-C399 HydrophobicContact CZ2-CB 3.57Å; W394-A402 HydrophobicContact CH2-CB 4.23Å |
| 395 | N | 85.9 | Confident | 76.1 | Confident | 26 Ų | 26 | 26 Ų | 26 | 14% | 0.139 | 15% | 0.152 | C | C | . | . | trans | -137.2 | 173.5 | -173.3 | 71.4 | 18.4 | 0 | 0 | 0 | 111.9 | D339 G393 R397 K398 C399 | D339-N395 PolarHBondContact OD1-ND2 3.22Å; G393-N395 PolarHBondContact O-N 2.98Å; N395-R397 VanDerWaalsContact C-N 3.27Å; N395-R397 PolarHBondContact O-N 3.37Å; N395-R397 PolarHBondContact OD1-N 2.99Å; N395-K398 PolarHBondContact O-N 2.92Å; N395-K398 WeakPolarHBondContact OD1-CB 3.32Å; N395-K398 WeakPolarHBondContact OD1-CG 3.4Å; N395-K398 PolarHBondContact OD1-N 3.04Å; N395-C399 VanDerWaalsContact O-CB 3.29Å; N395-C399 WeakPolarHBondContact O-CB 3.25Å; N395-C399 PolarHBondContact O-N 3.15Å | ||
| 396 | I | 89.2 | Confident | 78 | Confident | 11 Ų | 11 | 26.3 Ų | 26.3 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -40 | -175.1 | -62.4 | 168.2 | 0 | 0 | 0 | 111.4 | E294 V297 L298 C332 A400 | E294-I396 HydrophobicContact CB-CD1 3.95Å; E294-I396 HydrophobicContact CG-CD1 4.43Å; E294-I396 WeakPolarHBondContact O-CD1 3.37Å; V297-I396 HydrophobicContact CB-CD1 4.18Å; V297-I396 HydrophobicContact CG1-CD1 4.16Å; V297-I396 HydrophobicContact CG1-CG1 4.48Å; V297-I396 HydrophobicContact CG1-CG2 3.98Å; L298-I396 HydrophobicContact CB-CG1 3.79Å; L298-I396 HydrophobicContact CD1-CG1 4.28Å; C332-I396 HydrophobicContact CB-CG2 3.63Å; I396-A400 WeakPolarHBondContact O-CB 3.44Å; I396-A400 PolarHBondContact O-N 3.35Å |
| 397 | R | 91.1 | Very high | 79.8 | Confident | 6 Ų | 6 | 26 Ų | 26 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.3 | -51.6 | -178.3 | 169.5 | 176.6 | 175.3 | 107.7 | -5.2 | 111.5 | C332 M333 Y335 N395 A400 A401 E436 L440 | C332-R397 WeakPolarHBondContact O-CA 3.26Å; M333-R397 WeakPolarHBondContact O-CD 3.35Å; M333-R397 WeakPolarHBondContact O-CG 3.35Å; M333-R397 PolarHBondContact O-NH1 2.83Å; Y335-R397 VanDerWaalsContact CE2-CZ 3.41Å; Y335-R397 PolarHBondContact OH-NH2 2.97Å; N395-R397 VanDerWaalsContact C-N 3.27Å; N395-R397 PolarHBondContact O-N 3.37Å; N395-R397 PolarHBondContact OD1-N 2.99Å; R397-A400 PolarHBondContact O-N 3.5Å; R397-A401 WeakPolarHBondContact O-CB 3.47Å; R397-A401 PolarHBondContact O-N 3.01Å; R397-E436 IonicContact CZ-OE1 2.9Å; R397-E436 IonicContact CZ-OE2 3.76Å; R397-E436 IonicContact NH1-OE1 3.66Å; R397-E436 IonicContact NH1-OE2 3.36Å; R397-E436 PolarHBondContact NH1-OE2 3.28Å; R397-E436 IonicContact NH2-OE1 3.84Å; R397-E436 PolarHBondContact NH2-OE1 2.92Å; R397-E436 IonicContact NH2-OE2 2.88Å; R397-E436 PolarHBondContact NH2-OE2 3.47Å; R397-E436 VanDerWaalsContact NH2-OE2 3.08Å; R397-L440 HydrophobicContact CG-CD2 4.19Å |
| 398 | K | 89.7 | Confident | 81.6 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 5% | 0.052 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.3 | -50.3 | 176.7 | -73.3 | 175.5 | 172.2 | -179 | 0 | 110.3 | L386 D387 S392 W394 N395 A400 A401 A402 | L386-K398 HydrophobicContact CB-CD 4.48Å; L386-K398 HydrophobicContact CB-CG 3.76Å; L386-K398 HydrophobicContact CD1-CB 4.4Å; L386-K398 HydrophobicContact CD1-CG 4.02Å; L386-K398 WeakPolarHBondContact O-CE 3.38Å; D387-K398 IonicContact OD1-NZ 2.78Å; D387-K398 PolarHBondContact OD1-NZ 3.25Å; S392-K398 PolarHBondContact O-NZ 3.33Å; W394-K398 HydrophobicContact CE3-CB 4.25Å; W394-K398 HydrophobicContact CZ3-CB 4.32Å; N395-K398 PolarHBondContact O-N 2.92Å; N395-K398 WeakPolarHBondContact OD1-CB 3.32Å; N395-K398 WeakPolarHBondContact OD1-CG 3.4Å; N395-K398 PolarHBondContact OD1-N 3.04Å; K398-A400 PolarHBondContact O-N 2.89Å; K398-A401 PolarHBondContact O-N 2.8Å; K398-A402 WeakPolarHBondContact O-CB 3.46Å; K398-A402 PolarHBondContact O-N 2.94Å |
| 399 | C | 91.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 113.1 | L298 C301 E302 W394 N395 S403 | L298-C399 HydrophobicContact CD1-CB 4.2Å; C301-C399 HydrophobicContact CB-CB 4.18Å; C301-C399 VanDerWaalsContact CB-SG 3.5Å; E302-C399 VanDerWaalsContact CA-SG 3.55Å; E302-C399 PolarHBondContact N-SG 3.02Å; W394-C399 HydrophobicContact CH2-CB 4.39Å; W394-C399 HydrophobicContact CZ2-CB 3.57Å; N395-C399 VanDerWaalsContact O-CB 3.29Å; N395-C399 WeakPolarHBondContact O-CB 3.25Å; N395-C399 PolarHBondContact O-N 3.15Å; C399-S403 WeakPolarHBondContact O-CB 3.46Å; C399-S403 PolarHBondContact O-N 3.34Å; C399-S403 PolarHBondContact O-OG 2.78Å |
| 400 | A | 93.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L329 C332 M333 I396 R397 K398 S403 L404 | L329-A400 HydrophobicContact CD2-CB 4.29Å; C332-A400 HydrophobicContact CB-CB 3.69Å; M333-A400 VanDerWaalsContact CE-O 3.29Å; M333-A400 WeakPolarHBondContact CE-O 3.41Å; M333-A400 HydrophobicContact CG-CB 4Å; I396-A400 WeakPolarHBondContact O-CB 3.44Å; I396-A400 PolarHBondContact O-N 3.35Å; R397-A400 PolarHBondContact O-N 3.5Å; K398-A400 PolarHBondContact O-N 2.89Å; A400-S403 PolarHBondContact O-N 2.77Å; A400-L404 PolarHBondContact O-N 3.14Å |
| 401 | A | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.2 | -50.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M333 I382 L386 R397 K398 S403 L404 D405 L440 | M333-A401 VanDerWaalsContact CE-CA 3.5Å; M333-A401 HydrophobicContact CE-CB 4.33Å; M333-A401 HydrophobicContact CG-CB 4.42Å; I382-A401 HydrophobicContact CG2-CB 3.73Å; L386-A401 HydrophobicContact CD1-CB 3.85Å; R397-A401 WeakPolarHBondContact O-CB 3.47Å; R397-A401 PolarHBondContact O-N 3.01Å; K398-A401 PolarHBondContact O-N 2.8Å; A401-S403 VanDerWaalsContact C-N 3.31Å; A401-S403 PolarHBondContact O-N 3.04Å; A401-L404 PolarHBondContact O-N 2.7Å; A401-L404 VanDerWaalsContact O-N 3.13Å; A401-D405 PolarHBondContact O-N 3.19Å; A401-L440 HydrophobicContact CB-CD1 4.08Å; A401-L440 HydrophobicContact CB-CD2 4.16Å; A401-L440 HydrophobicContact CB-CG 4.26Å |
| 402 | A | 92.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 6% | 0.058 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.9 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | F305 W394 K398 L404 D405 V406 | F305-A402 HydrophobicContact CD2-CB 3.87Å; F305-A402 HydrophobicContact CE2-CB 3.82Å; W394-A402 HydrophobicContact CH2-CB 4.23Å; K398-A402 WeakPolarHBondContact O-CB 3.46Å; K398-A402 PolarHBondContact O-N 2.94Å; A402-L404 PolarHBondContact O-N 3.28Å; A402-D405 PolarHBondContact O-N 3.36Å; A402-V406 WeakPolarHBondContact O-CG2 3.44Å; A402-V406 PolarHBondContact O-N 3.04Å; A402-V406 VanDerWaalsContact O-N 3.15Å |
| 403 | S | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | C301 F305 C399 A400 A401 D405 F407 | C301-S403 PolarHBondContact O-OG 3.42Å; F305-S403 PolarHBondContact N-OG 2.92Å; C399-S403 WeakPolarHBondContact O-CB 3.46Å; C399-S403 PolarHBondContact O-N 3.34Å; C399-S403 PolarHBondContact O-OG 2.78Å; A400-S403 PolarHBondContact O-N 2.77Å; A401-S403 VanDerWaalsContact C-N 3.31Å; A401-S403 PolarHBondContact O-N 3.04Å; S403-D405 VanDerWaalsContact C-N 3.35Å; S403-F407 WeakPolarHBondContact O-CB 3.32Å; S403-F407 WeakPolarHBondContact O-CD1 3.45Å; S403-F407 VanDerWaalsContact O-CG 3.32Å; S403-F407 WeakPolarHBondContact O-CG 3.37Å; S403-F407 PolarHBondContact O-N 3.03Å |
| 404 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69 | -34.8 | -179.6 | -175.8 | 60.7 | 0 | 0 | 0 | 112.2 | V326 V330 M333 A400 A401 A402 F407 A408 L415 I419 A441 A444 I445 | V326-L404 HydrophobicContact CG1-CD1 4.12Å; V330-L404 HydrophobicContact CG2-CD2 4.02Å; M333-L404 HydrophobicContact CE-CB 3.45Å; M333-L404 VanDerWaalsContact CE-CB 3.45Å; M333-L404 HydrophobicContact CE-CD2 3.37Å; M333-L404 HydrophobicContact CE-CG 4.03Å; M333-L404 HydrophobicContact SD-CD2 4.39Å; A400-L404 PolarHBondContact O-N 3.14Å; A401-L404 PolarHBondContact O-N 2.7Å; A401-L404 VanDerWaalsContact O-N 3.13Å; A402-L404 PolarHBondContact O-N 3.28Å; L404-F407 WeakPolarHBondContact O-CB 3.33Å; L404-F407 PolarHBondContact O-N 3.28Å; L404-A408 PolarHBondContact O-N 2.95Å; L404-L415 HydrophobicContact CD1-CD2 4.18Å; L404-I419 HydrophobicContact CD2-CD1 4.25Å; L404-A441 HydrophobicContact CD2-CB 3.83Å; L404-A444 HydrophobicContact CB-CB 4.41Å; L404-A444 HydrophobicContact CD2-CB 4.37Å; L404-A444 HydrophobicContact CG-CB 4.45Å; L404-I445 HydrophobicContact CD1-CG2 4.1Å; L404-I445 HydrophobicContact CD2-CG2 3.9Å; L404-I445 HydrophobicContact CG-CG2 3.77Å |
| 405 | D | 94.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.1 | -51.2 | 176.5 | -175.8 | 24.5 | 0 | 0 | 0 | 112 | I382 A401 A402 S403 F407 A408 S409 A444 R485 | I382-D405 HydrophobicContact CD1-CB 3.26Å; I382-D405 VanDerWaalsContact CD1-CG 3.4Å; I382-D405 WeakPolarHBondContact CD1-OD2 3.37Å; A401-D405 PolarHBondContact O-N 3.19Å; A402-D405 PolarHBondContact O-N 3.36Å; S403-D405 VanDerWaalsContact C-N 3.35Å; D405-F407 PolarHBondContact O-N 3.02Å; D405-A408 WeakPolarHBondContact O-CA 3.37Å; D405-A408 VanDerWaalsContact O-CB 3.3Å; D405-A408 WeakPolarHBondContact O-CB 3.29Å; D405-A408 PolarHBondContact O-N 3.3Å; D405-S409 PolarHBondContact O-N 3.43Å; D405-S409 VanDerWaalsContact O-N 3.17Å; D405-A444 VanDerWaalsContact CA-O 3.27Å; D405-A444 WeakPolarHBondContact CA-O 3.48Å; D405-A444 HydrophobicContact CB-CB 4.42Å; D405-R485 IonicContact OD1-NH2 3.47Å |
| 406 | V | 93.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 24.8 Ų | 24.8 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -32.3 | 175.8 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | F305 T308 A402 A408 S409 L410 | F305-V406 HydrophobicContact CD2-CG2 4.41Å; F305-V406 HydrophobicContact CE2-CG2 4.04Å; T308-V406 HydrophobicContact CG2-CB 3.96Å; T308-V406 HydrophobicContact CG2-CG1 3.65Å; T308-V406 VanDerWaalsContact OG1-CG1 3.31Å; T308-V406 WeakPolarHBondContact OG1-CG1 3.49Å; A402-V406 WeakPolarHBondContact O-CG2 3.44Å; A402-V406 PolarHBondContact O-N 3.04Å; A402-V406 VanDerWaalsContact O-N 3.15Å; V406-A408 VanDerWaalsContact C-N 3.32Å; V406-A408 PolarHBondContact O-N 3.29Å; V406-S409 PolarHBondContact O-N 3.09Å; V406-L410 HydrophobicContact CG1-CD1 4.29Å; V406-L410 HydrophobicContact CG1-CG 4.42Å; V406-L410 WeakPolarHBondContact O-CB 3.26Å; V406-L410 WeakPolarHBondContact O-CG 3.49Å; V406-L410 PolarHBondContact O-N 3.07Å |
| 407 | F | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 171.7 | -82.9 | 28.7 | 0 | 0 | 0 | 112 | W304 T308 L318 L322 I325 V326 L329 S403 L404 D405 S409 L410 F411 | W304-F407 HydrophobicContact CB-CE1 4.5Å; W304-F407 HydrophobicContact CB-CZ 4.23Å; T308-F407 HydrophobicContact CG2-CD1 3.72Å; T308-F407 HydrophobicContact CG2-CE1 3.69Å; L318-F407 HydrophobicContact CD1-CE1 4.15Å; L318-F407 HydrophobicContact CD1-CE2 4.28Å; L318-F407 HydrophobicContact CD1-CZ 3.6Å; L322-F407 HydrophobicContact CD2-CD2 4.26Å; L322-F407 HydrophobicContact CD2-CE2 4.38Å; I325-F407 HydrophobicContact CG2-CE2 3.85Å; I325-F407 HydrophobicContact CG2-CZ 4.34Å; V326-F407 HydrophobicContact CG2-CD2 4.45Å; L329-F407 HydrophobicContact CD1-CD2 4.27Å; L329-F407 HydrophobicContact CD1-CE2 4.03Å; S403-F407 WeakPolarHBondContact O-CB 3.32Å; S403-F407 WeakPolarHBondContact O-CD1 3.45Å; S403-F407 VanDerWaalsContact O-CG 3.32Å; S403-F407 WeakPolarHBondContact O-CG 3.37Å; S403-F407 PolarHBondContact O-N 3.03Å; L404-F407 WeakPolarHBondContact O-CB 3.33Å; L404-F407 PolarHBondContact O-N 3.28Å; D405-F407 PolarHBondContact O-N 3.02Å; F407-S409 VanDerWaalsContact C-N 3.33Å; F407-S409 PolarHBondContact O-N 2.97Å; F407-L410 PolarHBondContact O-N 3.3Å; F407-F411 HydrophobicContact CB-CD2 3.94Å; F407-F411 HydrophobicContact CB-CE2 4.21Å; F407-F411 HydrophobicContact CD1-CE2 4.18Å; F407-F411 HydrophobicContact CD2-CD2 4.31Å; F407-F411 AromaticContact CD2-CE2 4Å; F407-F411 HydrophobicContact CD2-CE2 4Å; F407-F411 HydrophobicContact CE2-CE2 4.45Å; F407-F411 HydrophobicContact CG-CD2 4.1Å; F407-F411 AromaticContact CG-CE2 3.86Å; F407-F411 HydrophobicContact CG-CE2 3.86Å; F407-F411 WeakPolarHBondContact O-CB 3.38Å; F407-F411 WeakPolarHBondContact O-CD2 3.42Å; F407-F411 PolarHBondContact O-N 3.22Å |
| 408 | A | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L404 D405 V406 G412 L415 I445 E447 G448 | L404-A408 PolarHBondContact O-N 2.95Å; D405-A408 WeakPolarHBondContact O-CA 3.37Å; D405-A408 VanDerWaalsContact O-CB 3.3Å; D405-A408 WeakPolarHBondContact O-CB 3.29Å; D405-A408 PolarHBondContact O-N 3.3Å; V406-A408 VanDerWaalsContact C-N 3.32Å; V406-A408 PolarHBondContact O-N 3.29Å; A408-G412 WeakPolarHBondContact O-CA 3.2Å; A408-G412 PolarHBondContact O-N 2.81Å; A408-L415 HydrophobicContact CB-CD2 4.07Å; A408-I445 HydrophobicContact CB-CB 3.94Å; A408-I445 HydrophobicContact CB-CG2 4.13Å; A408-E447 WeakPolarHBondContact CB-O 3.48Å; A408-G448 CarbonylContact O-C 3.53Å |
| 409 | S | 93.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 43% | 0.427 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.7 | -35.5 | 173 | -72.6 | 0 | 0 | 0 | 0 | 113.8 | D405 V406 F407 | D405-S409 PolarHBondContact O-N 3.43Å; D405-S409 VanDerWaalsContact O-N 3.17Å; V406-S409 PolarHBondContact O-N 3.09Å; F407-S409 VanDerWaalsContact C-N 3.33Å; F407-S409 PolarHBondContact O-N 2.97Å |
| 410 | L | 93.3 | Very high | 95 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -78.4 | -43.4 | -179.2 | -76.1 | 176.3 | 0 | 0 | 0 | 114.4 | T308 P311 K315 V406 F407 | T308-L410 HydrophobicContact CG2-CD1 3.59Å; P311-L410 HydrophobicContact CB-CD2 3.98Å; K315-L410 WeakPolarHBondContact CE-O 3.09Å; K315-L410 PolarHBondContact NZ-O 3.02Å; V406-L410 HydrophobicContact CG1-CD1 4.29Å; V406-L410 HydrophobicContact CG1-CG 4.42Å; V406-L410 WeakPolarHBondContact O-CB 3.26Å; V406-L410 WeakPolarHBondContact O-CG 3.49Å; V406-L410 PolarHBondContact O-N 3.07Å; F407-L410 PolarHBondContact O-N 3.3Å |
| 411 | F | 95.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.057 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -101.4 | -26.8 | -172.4 | -60.6 | -70.1 | 0 | 0 | 0 | 112.9 | K315 L318 L319 L322 F407 R413 D414 L415 | K315-F411 HydrophobicContact CG-CE1 4.36Å; L318-F411 HydrophobicContact CB-CZ 3.86Å; L319-F411 HydrophobicContact CB-CE1 4.16Å; L319-F411 HydrophobicContact CD1-CD1 4.18Å; L322-F411 HydrophobicContact CD1-CB 4.32Å; L322-F411 HydrophobicContact CD1-CD1 4.07Å; L322-F411 HydrophobicContact CD1-CD2 4.36Å; L322-F411 HydrophobicContact CD1-CG 3.99Å; L322-F411 HydrophobicContact CD2-CD2 3.92Å; L322-F411 HydrophobicContact CD2-CE1 4.34Å; L322-F411 HydrophobicContact CD2-CE2 3.79Å; L322-F411 HydrophobicContact CD2-CG 4.33Å; L322-F411 HydrophobicContact CD2-CZ 4.03Å; F407-F411 HydrophobicContact CB-CD2 3.94Å; F407-F411 HydrophobicContact CB-CE2 4.21Å; F407-F411 HydrophobicContact CD1-CE2 4.18Å; F407-F411 HydrophobicContact CD2-CD2 4.31Å; F407-F411 AromaticContact CD2-CE2 4Å; F407-F411 HydrophobicContact CD2-CE2 4Å; F407-F411 HydrophobicContact CE2-CE2 4.45Å; F407-F411 HydrophobicContact CG-CD2 4.1Å; F407-F411 AromaticContact CG-CE2 3.86Å; F407-F411 HydrophobicContact CG-CE2 3.86Å; F407-F411 WeakPolarHBondContact O-CB 3.38Å; F407-F411 WeakPolarHBondContact O-CD2 3.42Å; F407-F411 PolarHBondContact O-N 3.22Å; F411-R413 PolarHBondContact O-N 2.87Å; F411-R413 VanDerWaalsContact O-N 3.09Å; F411-D414 HydrophobicContact CB-CB 4.47Å; F411-D414 WeakPolarHBondContact O-CB 3.44Å; F411-D414 PolarHBondContact O-N 2.91Å; F411-L415 HydrophobicContact CB-CB 4.18Å |
| 412 | G | 93.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | 47.6 | -117 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A408 D414 L415 C449 | A408-G412 WeakPolarHBondContact O-CA 3.2Å; A408-G412 PolarHBondContact O-N 2.81Å; G412-D414 PolarHBondContact O-N 3.24Å; G412-D414 VanDerWaalsContact O-N 3.16Å; G412-L415 VanDerWaalsContact O-CB 3.29Å; G412-L415 WeakPolarHBondContact O-CB 3.43Å; G412-L415 PolarHBondContact O-N 3.01Å; G412-L415 VanDerWaalsContact O-N 3.07Å; G412-C449 PolarHBondContact O-SG 2.96Å; G412-C449 VanDerWaalsContact O-SG 3.37Å |
| 413 | R | 94.9 | Very high | 95.4 | Very high | 197 Ų | 197 | 35.4 Ų | 35.4 | 74% | 0.743 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -57.5 | -31.4 | -179.5 | -171.2 | 177.4 | -178 | -175.7 | 1.9 | 114.2 | F411 L415 L416 A452 | F411-R413 PolarHBondContact O-N 2.87Å; F411-R413 VanDerWaalsContact O-N 3.09Å; R413-L415 PolarHBondContact O-N 3.46Å; R413-L416 WeakPolarHBondContact O-CB 3.44Å; R413-L416 PolarHBondContact O-N 3.22Å; R413-A452 HydrophobicContact CB-CB 4.18Å; R413-A452 HydrophobicContact CG-CB 4.39Å |
| 414 | D | 95.1 | Very high | 95.4 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -71.2 | -17 | -178.6 | -67.8 | -36 | 0 | 0 | 0 | 112.7 | L319 F411 G412 P417 | L319-D414 HydrophobicContact CD1-CB 3.64Å; F411-D414 HydrophobicContact CB-CB 4.47Å; F411-D414 WeakPolarHBondContact O-CB 3.44Å; F411-D414 PolarHBondContact O-N 2.91Å; G412-D414 PolarHBondContact O-N 3.24Å; G412-D414 VanDerWaalsContact O-N 3.16Å; D414-P417 WeakPolarHBondContact O-CD 3.3Å |
| 415 | L | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -75.2 | -31.3 | 173.6 | -173.1 | 61 | 0 | 0 | 0 | 112.2 | L322 V326 L404 A408 F411 G412 R413 V418 I419 I445 | L322-L415 HydrophobicContact CD1-CD1 4.44Å; V326-L415 HydrophobicContact CG1-CD1 4.26Å; V326-L415 HydrophobicContact CG2-CD1 3.53Å; L404-L415 HydrophobicContact CD1-CD2 4.18Å; A408-L415 HydrophobicContact CB-CD2 4.07Å; F411-L415 HydrophobicContact CB-CB 4.18Å; G412-L415 VanDerWaalsContact O-CB 3.29Å; G412-L415 WeakPolarHBondContact O-CB 3.43Å; G412-L415 PolarHBondContact O-N 3.01Å; G412-L415 VanDerWaalsContact O-N 3.07Å; R413-L415 PolarHBondContact O-N 3.46Å; L415-V418 PolarHBondContact O-N 3.24Å; L415-I419 HydrophobicContact CG-CB 4.38Å; L415-I419 HydrophobicContact CG-CG2 4.22Å; L415-I419 PolarHBondContact O-N 3.36Å; L415-I445 HydrophobicContact CD2-CG2 3.91Å |
| 416 | L | 95.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.9 | -44.7 | -172 | -66 | -169.6 | 0 | 0 | 0 | 115.3 | R413 V418 I419 I420 C449 A452 L453 | R413-L416 WeakPolarHBondContact O-CB 3.44Å; R413-L416 PolarHBondContact O-N 3.22Å; L416-V418 PolarHBondContact O-N 3.35Å; L416-V418 VanDerWaalsContact O-N 3.1Å; L416-I419 HydrophobicContact CD2-CG2 4.15Å; L416-I419 PolarHBondContact O-N 2.71Å; L416-I420 HydrophobicContact CB-CD1 3.82Å; L416-I420 HydrophobicContact CB-CG1 4.32Å; L416-I420 HydrophobicContact CD1-CD1 4.37Å; L416-I420 HydrophobicContact CD2-CD1 4.36Å; L416-I420 HydrophobicContact CD2-CG1 4.4Å; L416-I420 HydrophobicContact CG-CD1 4.42Å; L416-I420 WeakPolarHBondContact O-CB 3.46Å; L416-I420 VanDerWaalsContact O-CG1 3.32Å; L416-I420 WeakPolarHBondContact O-CG1 3.39Å; L416-I420 PolarHBondContact O-N 3.09Å; L416-C449 HydrophobicContact CD2-CB 4.34Å; L416-A452 HydrophobicContact CD1-CB 3.5Å; L416-A452 VanDerWaalsContact CD1-CB 3.5Å; L416-A452 WeakPolarHBondContact CD1-O 3.46Å; L416-A452 HydrophobicContact CG-CB 4.37Å; L416-L453 HydrophobicContact CD2-CD1 4.35Å |
| 417 | P | 96.4 | Very high | 95.5 | Very high | 99 Ų | 99 | 44.1 Ų | 44.1 | 64% | 0.643 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.5 | -24 | 179.3 | -24.3 | 35.2 | 0 | 0 | 0 | 114 | D414 P421 | D414-P417 WeakPolarHBondContact O-CD 3.3Å; P417-P421 WeakPolarHBondContact O-CD 3.44Å; P417-P421 WeakPolarHBondContact O-CG 3.21Å |
| 418 | V | 97.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 52.9 Ų | 52.9 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -92.7 | -45 | 179.3 | -177 | 0 | 0 | 0 | 0 | 111.1 | L322 N323 V326 P327 L415 L416 I422 | L322-V418 HydrophobicContact CB-CG2 4.07Å; N323-V418 HydrophobicContact CB-CG2 4.24Å; V326-V418 HydrophobicContact CB-CG1 3.82Å; V326-V418 HydrophobicContact CG1-CG1 4.09Å; V326-V418 HydrophobicContact CG2-CG1 4.41Å; P327-V418 HydrophobicContact CG-CG1 4.43Å; L415-V418 PolarHBondContact O-N 3.24Å; L416-V418 PolarHBondContact O-N 3.35Å; L416-V418 VanDerWaalsContact O-N 3.1Å; V418-I422 HydrophobicContact CG1-CD1 4.44Å; V418-I422 WeakPolarHBondContact O-CD1 3.27Å; V418-I422 WeakPolarHBondContact O-CG1 3.47Å |
| 419 | I | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.7 | -36.3 | -173.4 | -163.3 | 65.7 | 0 | 0 | 0 | 112.9 | V326 V330 L404 L415 L416 I422 L423 I445 | V326-I419 HydrophobicContact CG1-CB 4.48Å; V326-I419 HydrophobicContact CG1-CD1 3.72Å; V330-I419 HydrophobicContact CG2-CD1 3.67Å; L404-I419 HydrophobicContact CD2-CD1 4.25Å; L415-I419 HydrophobicContact CG-CB 4.38Å; L415-I419 HydrophobicContact CG-CG2 4.22Å; L415-I419 PolarHBondContact O-N 3.36Å; L416-I419 HydrophobicContact CD2-CG2 4.15Å; L416-I419 PolarHBondContact O-N 2.71Å; I419-I422 HydrophobicContact CD1-CB 4.47Å; I419-I422 HydrophobicContact CD1-CD1 4.22Å; I419-I422 WeakPolarHBondContact O-CA 3.49Å; I419-I422 WeakPolarHBondContact O-CB 3.45Å; I419-I422 PolarHBondContact O-N 3.03Å; I419-L423 HydrophobicContact CG1-CD1 4.26Å; I419-L423 HydrophobicContact CG1-CG 4.15Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 3.06Å; I419-I445 HydrophobicContact CG1-CD1 4.13Å; I419-I445 HydrophobicContact CG1-CG2 4.34Å; I419-I445 HydrophobicContact CG2-CD1 4.01Å |
| 420 | I | 96 | Very high | 95.4 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57 | -49 | -178.2 | -70.2 | 172.3 | 0 | 0 | 0 | 112 | L416 I422 L423 D424 | L416-I420 HydrophobicContact CB-CD1 3.82Å; L416-I420 HydrophobicContact CB-CG1 4.32Å; L416-I420 HydrophobicContact CD1-CD1 4.37Å; L416-I420 HydrophobicContact CD2-CD1 4.36Å; L416-I420 HydrophobicContact CD2-CG1 4.4Å; L416-I420 HydrophobicContact CG-CD1 4.42Å; L416-I420 WeakPolarHBondContact O-CB 3.46Å; L416-I420 VanDerWaalsContact O-CG1 3.32Å; L416-I420 WeakPolarHBondContact O-CG1 3.39Å; L416-I420 PolarHBondContact O-N 3.09Å; I420-I422 PolarHBondContact O-N 3.34Å; I420-L423 PolarHBondContact O-N 3.01Å; I420-L423 VanDerWaalsContact O-N 3.11Å; I420-D424 PolarHBondContact O-N 3.39Å |
| 421 | P | 96.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -28 | 176.2 | -24.3 | 34.7 | 0 | 0 | 0 | 113.8 | P417 N425 | P417-P421 WeakPolarHBondContact O-CD 3.44Å; P417-P421 WeakPolarHBondContact O-CG 3.21Å; P421-N425 PolarHBondContact O-N 2.91Å; P421-N425 PolarHBondContact O-ND2 3.37Å |
| 422 | I | 96.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.3 | -45.5 | 175.9 | -59.8 | 167.5 | 0 | 0 | 0 | 109.5 | V326 P327 V330 V418 I419 I420 N425 G426 | V326-I422 HydrophobicContact CG1-CD1 4.11Å; P327-I422 HydrophobicContact CB-CD1 4.1Å; P327-I422 HydrophobicContact CG-CD1 3.94Å; V330-I422 HydrophobicContact CB-CG2 4.28Å; V330-I422 HydrophobicContact CG1-CG2 3.8Å; V330-I422 HydrophobicContact CG2-CG2 4.37Å; V418-I422 HydrophobicContact CG1-CD1 4.44Å; V418-I422 WeakPolarHBondContact O-CD1 3.27Å; V418-I422 WeakPolarHBondContact O-CG1 3.47Å; I419-I422 HydrophobicContact CD1-CB 4.47Å; I419-I422 HydrophobicContact CD1-CD1 4.22Å; I419-I422 WeakPolarHBondContact O-CA 3.49Å; I419-I422 WeakPolarHBondContact O-CB 3.45Å; I419-I422 PolarHBondContact O-N 3.03Å; I420-I422 PolarHBondContact O-N 3.34Å; I422-N425 PolarHBondContact O-N 3.02Å; I422-G426 PolarHBondContact O-N 2.86Å |
| 423 | L | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60 | -49.6 | 176.6 | -62.7 | 175.1 | 0 | 0 | 0 | 111.6 | I419 I420 N425 G426 L427 T438 L442 I445 | I419-L423 HydrophobicContact CG1-CD1 4.26Å; I419-L423 HydrophobicContact CG1-CG 4.15Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 3.06Å; I420-L423 PolarHBondContact O-N 3.01Å; I420-L423 VanDerWaalsContact O-N 3.11Å; L423-N425 VanDerWaalsContact C-N 3.26Å; L423-N425 PolarHBondContact O-N 2.65Å; L423-G426 PolarHBondContact O-N 3.46Å; L423-L427 HydrophobicContact CB-CD1 4.22Å; L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 VanDerWaalsContact O-CG 3.24Å; L423-L427 WeakPolarHBondContact O-CG 3.18Å; L423-L427 PolarHBondContact O-N 3.4Å; L423-T438 HydrophobicContact CD2-CG2 3.7Å; L423-L442 HydrophobicContact CD1-CD1 4.07Å; L423-L442 HydrophobicContact CD2-CB 3.95Å; L423-I445 HydrophobicContact CD1-CD1 3.96Å |
| 424 | D | 93.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.7 | -38 | -178.8 | -75.1 | -22.5 | 0 | 0 | 0 | 112.5 | I420 | I420-D424 PolarHBondContact O-N 3.39Å |
| 425 | N | 93.8 | Very high | 95.4 | Very high | 123 Ų | 123 | 57 Ų | 57 | 66% | 0.658 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -83.4 | -31.9 | 178.9 | -72 | -51.1 | 0 | 0 | 0 | 113.1 | P421 I422 L423 | P421-N425 PolarHBondContact O-N 2.91Å; P421-N425 PolarHBondContact O-ND2 3.37Å; I422-N425 PolarHBondContact O-N 3.02Å; L423-N425 VanDerWaalsContact C-N 3.26Å; L423-N425 PolarHBondContact O-N 2.65Å |
| 426 | G | 95.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -88.8 | -36.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I422 L423 R428 H429 K435 T438 | I422-G426 PolarHBondContact O-N 2.86Å; L423-G426 PolarHBondContact O-N 3.46Å; G426-R428 VanDerWaalsContact C-N 3.28Å; G426-R428 PolarHBondContact O-N 3.12Å; G426-H429 WeakPolarHBondContact O-CB 3.06Å; G426-H429 PolarHBondContact O-N 3.03Å; G426-H429 VanDerWaalsContact O-N 3.1Å; G426-K435 WeakPolarHBondContact O-CA 3.38Å; G426-T438 WeakPolarHBondContact CA-OG1 3.32Å |
| 427 | L | 96.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.3 | -172.9 | -74 | 170.9 | 0 | 0 | 0 | 112.4 | L423 K435 T438 I439 L442 L460 Y463 | L423-L427 HydrophobicContact CB-CD1 4.22Å; L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 VanDerWaalsContact O-CG 3.24Å; L423-L427 WeakPolarHBondContact O-CG 3.18Å; L423-L427 PolarHBondContact O-N 3.4Å; L427-K435 VanDerWaalsContact O-CG 3.32Å; L427-K435 WeakPolarHBondContact O-CG 3.24Å; L427-T438 HydrophobicContact CD2-CG2 3.96Å; L427-T438 HydrophobicContact CG-CG2 3.85Å; L427-I439 HydrophobicContact CD2-CG1 3.77Å; L427-L442 HydrophobicContact CD1-CD2 4.48Å; L427-L442 HydrophobicContact CD2-CD2 4.25Å; L427-L460 HydrophobicContact CD1-CD2 3.44Å; L427-L460 VanDerWaalsContact CD1-CD2 3.44Å; L427-Y463 HydrophobicContact CB-CE1 3.92Å; L427-Y463 HydrophobicContact CD2-CE1 4.35Å; L427-Y463 PolarHBondContact O-OH 3.22Å |
| 428 | R | 94.7 | Very high | 95.3 | Very high | 184 Ų | 184 | 51.7 Ų | 51.7 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 23.1 | 179 | -62.9 | -177.3 | 176.8 | -164.1 | -1.6 | 113.4 | G426 Y463 | G426-R428 VanDerWaalsContact C-N 3.28Å; G426-R428 PolarHBondContact O-N 3.12Å; R428-Y463 HydrophobicContact CG-CE2 4Å |
| 429 | H | 95.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.389 | 24% | 0.244 | S | C | . | . | trans | -69 | 143.3 | -178 | -166.2 | -84.4 | 0 | 0 | 0 | 111.7 | G426 D431 V434 | G426-H429 WeakPolarHBondContact O-CB 3.06Å; G426-H429 PolarHBondContact O-N 3.03Å; G426-H429 VanDerWaalsContact O-N 3.1Å; H429-D431 WeakPolarHBondContact ND1-CB 3.32Å; H429-D431 PolarHBondContact ND1-N 2.91Å; H429-D431 PolarHBondContact ND1-O 3.1Å; H429-V434 HydrophobicContact CB-CB 3.97Å; H429-V434 HydrophobicContact CB-CG1 3.93Å | ||
| 430 | E | 93.4 | Very high | 95.4 | Very high | 200 Ų | 200 | 50.4 Ų | 50.4 | 94% | 0.935 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -67 | -36.8 | -178 | -65.1 | -176.4 | 169 | 0 | 0 | 112.8 | W432 | E430-W432 PolarHBondContact O-N 3.12Š|
| 431 | D | 93.5 | Very high | 95.5 | Very high | 63 Ų | 63 | 49 Ų | 49 | 34% | 0.337 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -75.4 | 112.9 | 171 | 179.8 | 2.6 | 0 | 0 | 0 | 109.7 | H429 L433 V434 K435 | H429-D431 WeakPolarHBondContact ND1-CB 3.32Å; H429-D431 PolarHBondContact ND1-N 2.91Å; H429-D431 PolarHBondContact ND1-O 3.1Å; D431-L433 PolarHBondContact O-N 3.12Å; D431-L433 PolarHBondContact OD1-N 3.28Å; D431-L433 VanDerWaalsContact OD1-N 3.08Å; D431-V434 HydrophobicContact CB-CG2 3.91Å; D431-V434 WeakPolarHBondContact O-CB 3.4Å; D431-V434 PolarHBondContact O-N 3.35Å; D431-K435 PolarHBondContact O-N 3.1Å |
| 432 | W | 93.3 | Very high | 95.5 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -27.8 | -176.3 | 74.1 | -91.2 | 0 | 0 | 0 | 112.8 | Y335 L340 E430 V434 K435 E436 L472 L474 | Y335-W432 HydrophobicContact CD2-CZ3 4.44Å; L340-W432 HydrophobicContact CD1-CZ2 4.49Å; L340-W432 HydrophobicContact CD2-CH2 3.68Å; L340-W432 HydrophobicContact CD2-CZ2 4.13Å; E430-W432 PolarHBondContact O-N 3.12Å; W432-V434 PolarHBondContact O-N 3.24Å; W432-K435 PolarHBondContact O-N 2.86Å; W432-E436 HydrophobicContact CE3-CB 4.16Å; W432-E436 HydrophobicContact CZ3-CB 4.42Å; W432-E436 HydrophobicContact CZ3-CG 4.38Å; W432-E436 WeakPolarHBondContact O-CB 3.41Å; W432-E436 PolarHBondContact O-N 2.92Å; W432-L472 HydrophobicContact CB-CD1 3.33Å; W432-L472 HydrophobicContact CD2-CD1 3.8Å; W432-L472 HydrophobicContact CE3-CD1 4.16Å; W432-L472 HydrophobicContact CG-CD1 3.43Å; W432-L472 VanDerWaalsContact CG-CD1 3.43Å; W432-L474 HydrophobicContact CH2-CD1 3.61Å; W432-L474 HydrophobicContact CZ3-CB 4.19Å; W432-L474 HydrophobicContact CZ3-CD1 3.68Å |
| 433 | L | 92.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 18% | 0.178 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -33.5 | 175.8 | -71.6 | 168.7 | 0 | 0 | 0 | 111.5 | Y335 L340 D431 A437 | Y335-L433 HydrophobicContact CD2-CD2 4.47Å; L340-L433 HydrophobicContact CD1-CD2 4.21Å; L340-L433 HydrophobicContact CD2-CD2 4.46Å; D431-L433 PolarHBondContact O-N 3.12Å; D431-L433 PolarHBondContact OD1-N 3.28Å; D431-L433 VanDerWaalsContact OD1-N 3.08Å; L433-A437 VanDerWaalsContact O-CB 3.28Å; L433-A437 WeakPolarHBondContact O-CB 3.15Å; L433-A437 PolarHBondContact O-N 3.32Å; L433-A437 VanDerWaalsContact O-N 3.15Å |
| 434 | V | 94.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.4 | -46 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | R334 H429 D431 W432 T438 | R334-V434 VanDerWaalsContact CZ-CG2 3.44Å; R334-V434 VanDerWaalsContact NH2-CG2 3.33Å; H429-V434 HydrophobicContact CB-CB 3.97Å; H429-V434 HydrophobicContact CB-CG1 3.93Å; D431-V434 HydrophobicContact CB-CG2 3.91Å; D431-V434 WeakPolarHBondContact O-CB 3.4Å; D431-V434 PolarHBondContact O-N 3.35Å; W432-V434 PolarHBondContact O-N 3.24Å; V434-T438 VanDerWaalsContact O-CB 3.31Å; V434-T438 WeakPolarHBondContact O-CB 3.39Å; V434-T438 PolarHBondContact O-N 3.31Å; V434-T438 PolarHBondContact O-OG1 2.77Å |
| 435 | K | 96.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 39 Ų | 39 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.8 | -52.7 | 176.2 | 172.3 | 176.5 | 178.7 | -171.3 | 0 | 111.1 | G426 L427 D431 W432 T438 I439 Y463 D470 I475 | G426-K435 WeakPolarHBondContact O-CA 3.38Å; L427-K435 VanDerWaalsContact O-CG 3.32Å; L427-K435 WeakPolarHBondContact O-CG 3.24Å; D431-K435 PolarHBondContact O-N 3.1Å; W432-K435 PolarHBondContact O-N 2.86Å; K435-T438 PolarHBondContact O-N 3.47Å; K435-I439 HydrophobicContact CG-CD1 3.86Å; K435-I439 VanDerWaalsContact O-CG1 3.32Å; K435-I439 WeakPolarHBondContact O-CG1 3.24Å; K435-I439 PolarHBondContact O-N 2.96Å; K435-Y463 WeakPolarHBondContact CE-OH 3.47Å; K435-D470 IonicContact NZ-OD2 2.69Å; K435-D470 PolarHBondContact NZ-OD2 3.22Å; K435-I475 HydrophobicContact CB-CD1 4.42Å; K435-I475 HydrophobicContact CD-CD1 4.08Å; K435-I475 HydrophobicContact CG-CD1 3.94Å |
| 436 | E | 94.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -52.4 | -179.3 | -163.2 | -70.7 | 149.1 | 0 | 0 | 111.3 | Y335 R397 W432 T438 I439 L440 L474 I475 I478 | Y335-E436 HydrophobicContact CE2-CG 4.3Å; R397-E436 IonicContact CZ-OE1 2.9Å; R397-E436 IonicContact CZ-OE2 3.76Å; R397-E436 IonicContact NH1-OE1 3.66Å; R397-E436 IonicContact NH1-OE2 3.36Å; R397-E436 PolarHBondContact NH1-OE2 3.28Å; R397-E436 IonicContact NH2-OE1 3.84Å; R397-E436 PolarHBondContact NH2-OE1 2.92Å; R397-E436 IonicContact NH2-OE2 2.88Å; R397-E436 PolarHBondContact NH2-OE2 3.47Å; R397-E436 VanDerWaalsContact NH2-OE2 3.08Å; W432-E436 HydrophobicContact CE3-CB 4.16Å; W432-E436 HydrophobicContact CZ3-CB 4.42Å; W432-E436 HydrophobicContact CZ3-CG 4.38Å; W432-E436 WeakPolarHBondContact O-CB 3.41Å; W432-E436 PolarHBondContact O-N 2.92Å; E436-T438 PolarHBondContact O-N 2.98Å; E436-I439 WeakPolarHBondContact O-CB 3.49Å; E436-I439 PolarHBondContact O-N 3.47Å; E436-L440 PolarHBondContact O-N 3.45Å; E436-L474 HydrophobicContact CG-CB 4.35Å; E436-I475 HydrophobicContact CB-CD1 3.53Å; E436-I475 HydrophobicContact CG-CD1 3.93Å; E436-I478 HydrophobicContact CG-CG2 4.01Å; E436-I478 WeakPolarHBondContact OE1-CB 3.4Å; E436-I478 WeakPolarHBondContact OE1-CG1 3.41Å |
| 437 | A | 95.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M333 R334 L433 A441 | M333-A437 HydrophobicContact CB-CB 4.07Å; R334-A437 HydrophobicContact CB-CB 4.49Å; R334-A437 HydrophobicContact CG-CB 3.78Å; L433-A437 VanDerWaalsContact O-CB 3.28Å; L433-A437 WeakPolarHBondContact O-CB 3.15Å; L433-A437 PolarHBondContact O-N 3.32Å; L433-A437 VanDerWaalsContact O-N 3.15Å; A437-A441 WeakPolarHBondContact O-CB 3.3Å; A437-A441 PolarHBondContact O-N 3.19Å |
| 438 | T | 98.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74 | -34.6 | 175.8 | -53 | 0 | 0 | 0 | 0 | 111.6 | L423 G426 L427 V434 K435 E436 A441 L442 | L423-T438 HydrophobicContact CD2-CG2 3.7Å; G426-T438 WeakPolarHBondContact CA-OG1 3.32Å; L427-T438 HydrophobicContact CD2-CG2 3.96Å; L427-T438 HydrophobicContact CG-CG2 3.85Å; V434-T438 VanDerWaalsContact O-CB 3.31Å; V434-T438 WeakPolarHBondContact O-CB 3.39Å; V434-T438 PolarHBondContact O-N 3.31Å; V434-T438 PolarHBondContact O-OG1 2.77Å; K435-T438 PolarHBondContact O-N 3.47Å; E436-T438 PolarHBondContact O-N 2.98Å; T438-A441 PolarHBondContact O-N 3.14Å; T438-L442 PolarHBondContact O-N 2.8Å |
| 439 | I | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.1 | -44.6 | 172.7 | -64.9 | 160.8 | 0 | 0 | 0 | 109.7 | L427 K435 E436 A441 L442 G443 L464 I475 I478 T482 | L427-I439 HydrophobicContact CD2-CG1 3.77Å; K435-I439 HydrophobicContact CG-CD1 3.86Å; K435-I439 VanDerWaalsContact O-CG1 3.32Å; K435-I439 WeakPolarHBondContact O-CG1 3.24Å; K435-I439 PolarHBondContact O-N 2.96Å; E436-I439 WeakPolarHBondContact O-CB 3.49Å; E436-I439 PolarHBondContact O-N 3.47Å; I439-A441 VanDerWaalsContact C-N 3.33Å; I439-A441 PolarHBondContact O-N 3.24Å; I439-L442 WeakPolarHBondContact O-CB 3.24Å; I439-L442 PolarHBondContact O-N 3.46Å; I439-L442 VanDerWaalsContact O-N 3.08Å; I439-G443 PolarHBondContact O-N 3.08Å; I439-L464 HydrophobicContact CG1-CD2 4.11Å; I439-L464 HydrophobicContact CG2-CD2 3.8Å; I439-I475 HydrophobicContact CD1-CD1 4.42Å; I439-I475 HydrophobicContact CD1-CG2 4.32Å; I439-I478 HydrophobicContact CB-CG2 4.08Å; I439-I478 HydrophobicContact CD1-CG2 4.39Å; I439-I478 HydrophobicContact CG2-CG1 4.13Å; I439-I478 HydrophobicContact CG2-CG2 3.8Å; I439-T482 HydrophobicContact CG2-CG2 4.16Å; I439-T482 VanDerWaalsContact CG2-OG1 3.26Å; I439-T482 WeakPolarHBondContact CG2-OG1 3.5Å; I439-T482 PolarHBondContact O-OG1 2.97Å |
| 440 | L | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.1 | -47.2 | 171 | 171.7 | 55.8 | 0 | 0 | 0 | 111.5 | M333 L386 R397 A401 E436 L442 G443 A444 I478 W481 | M333-L440 HydrophobicContact CB-CD2 4.01Å; M333-L440 HydrophobicContact CG-CD2 4.2Å; M333-L440 HydrophobicContact SD-CD2 4.34Å; M333-L440 HydrophobicContact SD-CG 4.08Å; L386-L440 HydrophobicContact CD1-CD1 4.36Å; L386-L440 HydrophobicContact CD1-CD2 4.35Å; L386-L440 HydrophobicContact CD2-CD1 4.16Å; L386-L440 HydrophobicContact CD2-CD2 4.14Å; R397-L440 HydrophobicContact CG-CD2 4.19Å; A401-L440 HydrophobicContact CB-CD1 4.08Å; A401-L440 HydrophobicContact CB-CD2 4.16Å; A401-L440 HydrophobicContact CB-CG 4.26Å; E436-L440 PolarHBondContact O-N 3.45Å; L440-L442 VanDerWaalsContact C-N 3.29Å; L440-L442 PolarHBondContact O-N 2.78Å; L440-G443 PolarHBondContact O-N 3.41Å; L440-G443 VanDerWaalsContact O-N 3.15Å; L440-A444 WeakPolarHBondContact O-CB 3.42Å; L440-A444 PolarHBondContact O-N 2.82Å; L440-I478 HydrophobicContact CB-CD1 3.97Å; L440-I478 HydrophobicContact CB-CG1 4.07Å; L440-I478 HydrophobicContact CD1-CD1 4.06Å; L440-W481 HydrophobicContact CD1-CE3 4.33Å; L440-W481 HydrophobicContact CD1-CH2 4Å; L440-W481 HydrophobicContact CD1-CZ3 3.62Å |
| 441 | A | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V330 M333 L404 A437 T438 I439 A444 I445 | V330-A441 HydrophobicContact CG1-CB 4.03Å; V330-A441 HydrophobicContact CG2-CB 3.9Å; M333-A441 HydrophobicContact SD-CB 3.83Å; L404-A441 HydrophobicContact CD2-CB 3.83Å; A437-A441 WeakPolarHBondContact O-CB 3.3Å; A437-A441 PolarHBondContact O-N 3.19Å; T438-A441 PolarHBondContact O-N 3.14Å; I439-A441 VanDerWaalsContact C-N 3.33Å; I439-A441 PolarHBondContact O-N 3.24Å; A441-A444 PolarHBondContact O-N 3.2Å; A441-I445 WeakPolarHBondContact O-CG1 3.36Å; A441-I445 WeakPolarHBondContact O-CG2 3.3Å; A441-I445 PolarHBondContact O-N 3.43Å; A441-I445 VanDerWaalsContact O-N 3.13Å |
| 442 | L | 98 | Very high | 94.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 174.9 | 176.5 | 59.7 | 0 | 0 | 0 | 111.9 | L423 L427 T438 I439 L440 I445 L453 L460 L464 T482 Y486 | L423-L442 HydrophobicContact CD1-CD1 4.07Å; L423-L442 HydrophobicContact CD2-CB 3.95Å; L427-L442 HydrophobicContact CD1-CD2 4.48Å; L427-L442 HydrophobicContact CD2-CD2 4.25Å; T438-L442 PolarHBondContact O-N 2.8Å; I439-L442 WeakPolarHBondContact O-CB 3.24Å; I439-L442 PolarHBondContact O-N 3.46Å; I439-L442 VanDerWaalsContact O-N 3.08Å; L440-L442 VanDerWaalsContact C-N 3.29Å; L440-L442 PolarHBondContact O-N 2.78Å; L442-I445 WeakPolarHBondContact O-CG1 3.48Å; L442-L453 HydrophobicContact CD1-CD2 3.71Å; L442-L460 HydrophobicContact CD1-CD1 4.1Å; L442-L460 HydrophobicContact CD2-CB 4.5Å; L442-L460 HydrophobicContact CD2-CD2 4.45Å; L442-L464 HydrophobicContact CD2-CD1 3.8Å; L442-L464 HydrophobicContact CD2-CD2 4.25Å; L442-L464 HydrophobicContact CD2-CG 4.29Å; L442-T482 HydrophobicContact CB-CG2 4.4Å; L442-T482 HydrophobicContact CD2-CG2 4.45Å; L442-T482 HydrophobicContact CG-CG2 4.19Å; L442-Y486 HydrophobicContact CD1-CE2 4.37Å; L442-Y486 WeakPolarHBondContact CD1-OH 3.48Å; L442-Y486 HydrophobicContact CG-CE2 4.17Å; L442-Y486 PolarHBondContact O-OH 2.85Å |
| 443 | G | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I439 L440 I445 A446 | I439-G443 PolarHBondContact O-N 3.08Å; L440-G443 PolarHBondContact O-N 3.41Å; L440-G443 VanDerWaalsContact O-N 3.15Å; G443-I445 VanDerWaalsContact C-N 3.3Å; G443-I445 PolarHBondContact O-N 3.24Å; G443-A446 WeakPolarHBondContact O-CB 3.38Å; G443-A446 PolarHBondContact O-N 3.45Å; G443-A446 VanDerWaalsContact O-N 3.09Å |
| 444 | A | 96 | Very high | 95 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I382 L404 D405 L440 A441 A446 | I382-A444 HydrophobicContact CD1-CB 4.08Å; L404-A444 HydrophobicContact CB-CB 4.41Å; L404-A444 HydrophobicContact CD2-CB 4.37Å; L404-A444 HydrophobicContact CG-CB 4.45Å; D405-A444 VanDerWaalsContact CA-O 3.27Å; D405-A444 WeakPolarHBondContact CA-O 3.48Å; D405-A444 HydrophobicContact CB-CB 4.42Å; L440-A444 WeakPolarHBondContact O-CB 3.42Å; L440-A444 PolarHBondContact O-N 2.82Å; A441-A444 PolarHBondContact O-N 3.2Å; A444-A446 VanDerWaalsContact C-N 3.28Å; A444-A446 PolarHBondContact O-N 3.09Å |
| 445 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.3 | 178.2 | 68.2 | 168.2 | 0 | 0 | 0 | 114.5 | L404 A408 L415 I419 L423 A441 L442 G443 E447 C449 L453 | L404-I445 HydrophobicContact CD1-CG2 4.1Å; L404-I445 HydrophobicContact CD2-CG2 3.9Å; L404-I445 HydrophobicContact CG-CG2 3.77Å; A408-I445 HydrophobicContact CB-CB 3.94Å; A408-I445 HydrophobicContact CB-CG2 4.13Å; L415-I445 HydrophobicContact CD2-CG2 3.91Å; I419-I445 HydrophobicContact CG1-CD1 4.13Å; I419-I445 HydrophobicContact CG1-CG2 4.34Å; I419-I445 HydrophobicContact CG2-CD1 4.01Å; L423-I445 HydrophobicContact CD1-CD1 3.96Å; A441-I445 WeakPolarHBondContact O-CG1 3.36Å; A441-I445 WeakPolarHBondContact O-CG2 3.3Å; A441-I445 PolarHBondContact O-N 3.43Å; A441-I445 VanDerWaalsContact O-N 3.13Å; L442-I445 WeakPolarHBondContact O-CG1 3.48Å; G443-I445 VanDerWaalsContact C-N 3.3Å; G443-I445 PolarHBondContact O-N 3.24Å; I445-E447 VanDerWaalsContact C-N 3.35Å; I445-E447 CarbonylContact C-O 3.52Å; I445-E447 PolarHBondContact O-N 2.79Å; I445-C449 WeakPolarHBondContact O-CB 3.42Å; I445-C449 PolarHBondContact O-N 3.3Å; I445-L453 HydrophobicContact CD1-CD2 4.28Å |
| 446 | A | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G443 A444 C449 T450 R485 Y486 | G443-A446 WeakPolarHBondContact O-CB 3.38Å; G443-A446 PolarHBondContact O-N 3.45Å; G443-A446 VanDerWaalsContact O-N 3.09Å; A444-A446 VanDerWaalsContact C-N 3.28Å; A444-A446 PolarHBondContact O-N 3.09Å; A446-C449 PolarHBondContact O-N 3.4Å; A446-T450 WeakPolarHBondContact O-CB 3.32Å; A446-T450 PolarHBondContact O-N 3.32Å; A446-T450 PolarHBondContact O-OG1 3.1Å; A446-R485 HydrophobicContact CB-CB 3.62Å; A446-Y486 HydrophobicContact CB-CD1 4.39Å; A446-Y486 HydrophobicContact CB-CD2 4.48Å; A446-Y486 HydrophobicContact CB-CE1 3.82Å; A446-Y486 HydrophobicContact CB-CE2 3.9Å |
| 447 | E | 89.9 | Confident | 95 | Very high | 69 Ų | 69 | 25.5 Ų | 25.5 | 32% | 0.322 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.2 | 134.6 | 173.1 | -159.5 | 173.9 | 156.5 | 0 | 0 | 109.9 | A408 I445 C449 R485 | A408-E447 WeakPolarHBondContact CB-O 3.48Å; I445-E447 VanDerWaalsContact C-N 3.35Å; I445-E447 CarbonylContact C-O 3.52Å; I445-E447 PolarHBondContact O-N 2.79Å; E447-C449 PolarHBondContact O-N 3.5Å; E447-C449 VanDerWaalsContact O-N 3.09Å; E447-R485 IonicContact OE2-CZ 3.09Å; E447-R485 IonicContact OE2-NH1 3.38Å; E447-R485 IonicContact OE2-NH2 2.75Å; E447-R485 PolarHBondContact OE2-NH2 2.93Å |
| 448 | G | 91.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 27.5 Ų | 27.5 | 47% | 0.474 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | 80.3 | -30.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A408 | A408-G448 CarbonylContact O-C 3.53Å |
| 449 | C | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -110 | -9.9 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 116.3 | G412 L416 I445 A446 E447 N451 A452 L453 | G412-C449 PolarHBondContact O-SG 2.96Å; G412-C449 VanDerWaalsContact O-SG 3.37Å; L416-C449 HydrophobicContact CD2-CB 4.34Å; I445-C449 WeakPolarHBondContact O-CB 3.42Å; I445-C449 PolarHBondContact O-N 3.3Å; A446-C449 PolarHBondContact O-N 3.4Å; E447-C449 PolarHBondContact O-N 3.5Å; E447-C449 VanDerWaalsContact O-N 3.09Å; C449-N451 VanDerWaalsContact C-N 3.31Å; C449-N451 PolarHBondContact O-N 2.89Å; C449-N451 VanDerWaalsContact O-N 3.13Å; C449-A452 CarbonylContact O-C 3.55Å; C449-A452 WeakPolarHBondContact O-CA 3.44Å; C449-A452 PolarHBondContact O-N 3.01Å; C449-L453 WeakPolarHBondContact O-CB 3.39Å; C449-L453 PolarHBondContact O-N 3.37Å |
| 450 | T | 89.1 | Confident | 95 | Very high | 27 Ų | 27 | 33 Ų | 33 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -46.6 | -49 | -175.5 | -74.2 | 0 | 0 | 0 | 0 | 113.6 | A446 A452 L453 S454 L457 W489 | A446-T450 WeakPolarHBondContact O-CB 3.32Å; A446-T450 PolarHBondContact O-N 3.32Å; A446-T450 PolarHBondContact O-OG1 3.1Å; T450-A452 VanDerWaalsContact C-N 3.33Å; T450-A452 PolarHBondContact O-N 3.43Å; T450-L453 PolarHBondContact O-N 3.04Å; T450-S454 PolarHBondContact O-N 3.1Å; T450-L457 HydrophobicContact CG2-CD1 4.44Å; T450-W489 HydrophobicContact CG2-CB 4.21Å |
| 451 | N | 90.9 | Very high | 95 | Very high | 146 Ų | 146 | 33 Ų | 33 | 78% | 0.781 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.8 | -39.2 | 179.3 | -72.3 | -32.6 | 0 | 0 | 0 | 113.2 | C449 S454 | C449-N451 VanDerWaalsContact C-N 3.31Å; C449-N451 PolarHBondContact O-N 2.89Å; C449-N451 VanDerWaalsContact O-N 3.13Å; N451-S454 WeakPolarHBondContact O-CB 3.49Å |
| 452 | A | 93.1 | Very high | 95 | Very high | 29 Ų | 29 | 35.7 Ų | 35.7 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.5 | -29 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | R413 L416 C449 T450 P455 | R413-A452 HydrophobicContact CB-CB 4.18Å; R413-A452 HydrophobicContact CG-CB 4.39Å; L416-A452 HydrophobicContact CD1-CB 3.5Å; L416-A452 VanDerWaalsContact CD1-CB 3.5Å; L416-A452 WeakPolarHBondContact CD1-O 3.46Å; L416-A452 HydrophobicContact CG-CB 4.37Å; C449-A452 CarbonylContact O-C 3.55Å; C449-A452 WeakPolarHBondContact O-CA 3.44Å; C449-A452 PolarHBondContact O-N 3.01Å; T450-A452 VanDerWaalsContact C-N 3.33Å; T450-A452 PolarHBondContact O-N 3.43Å; A452-P455 WeakPolarHBondContact O-CD 3.24Å |
| 453 | L | 94.6 | Very high | 95 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -82.8 | -15.8 | 177.1 | -165.2 | 65.8 | 0 | 0 | 0 | 112.9 | L416 L442 I445 C449 T450 P455 H456 L457 L460 Y486 | L416-L453 HydrophobicContact CD2-CD1 4.35Å; L442-L453 HydrophobicContact CD1-CD2 3.71Å; I445-L453 HydrophobicContact CD1-CD2 4.28Å; C449-L453 WeakPolarHBondContact O-CB 3.39Å; C449-L453 PolarHBondContact O-N 3.37Å; T450-L453 PolarHBondContact O-N 3.04Å; L453-P455 WeakPolarHBondContact O-CD 3.29Å; L453-H456 HydrophobicContact CD1-CB 4.04Å; L453-H456 HydrophobicContact CG-CB 4.41Å; L453-H456 WeakPolarHBondContact O-CA 3.42Å; L453-H456 WeakPolarHBondContact O-CB 3.37Å; L453-H456 PolarHBondContact O-N 3.03Å; L453-L457 HydrophobicContact CD2-CD2 3.86Å; L453-L457 HydrophobicContact CG-CD2 4.09Å; L453-L457 HydrophobicContact CG-CG 4.33Å; L453-L457 PolarHBondContact O-N 2.98Å; L453-L460 HydrophobicContact CD1-CD1 4.29Å; L453-L460 HydrophobicContact CD2-CD1 4.28Å; L453-L460 HydrophobicContact CG-CD1 4.33Å; L453-Y486 HydrophobicContact CD2-CE1 4.24Å; L453-Y486 WeakPolarHBondContact CD2-OH 3.38Å |
| 454 | S | 94.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.6 | -36.4 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 115.7 | T450 N451 H456 L457 P458 W489 | T450-S454 PolarHBondContact O-N 3.1Å; N451-S454 WeakPolarHBondContact O-CB 3.49Å; S454-H456 PolarHBondContact O-N 2.84Å; S454-L457 PolarHBondContact O-N 3.47Å; S454-P458 WeakPolarHBondContact O-CD 3.18Å; S454-W489 PolarHBondContact OG-NE1 2.86Å |
| 455 | P | 94.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 37.6 Ų | 37.6 | 65% | 0.649 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.2 | 175.2 | -23.7 | 36 | 0 | 0 | 0 | 115 | A452 L453 | A452-P455 WeakPolarHBondContact O-CD 3.24Å; L453-P455 WeakPolarHBondContact O-CD 3.29Å |
| 456 | H | 95.1 | Very high | 95.3 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -25 | -178.9 | -59.9 | -89.8 | 0 | 0 | 0 | 112.7 | L453 S454 P458 T459 L460 | L453-H456 HydrophobicContact CD1-CB 4.04Å; L453-H456 HydrophobicContact CG-CB 4.41Å; L453-H456 WeakPolarHBondContact O-CA 3.42Å; L453-H456 WeakPolarHBondContact O-CB 3.37Å; L453-H456 PolarHBondContact O-N 3.03Å; S454-H456 PolarHBondContact O-N 2.84Å; H456-P458 VanDerWaalsContact C-CD 3.45Å; H456-T459 PolarHBondContact O-N 3.36Å; H456-L460 HydrophobicContact CB-CD1 3.77Å; H456-L460 HydrophobicContact CB-CG 4.4Å; H456-L460 WeakPolarHBondContact O-CG 3.26Å; H456-L460 PolarHBondContact O-N 2.76Å; H456-L460 VanDerWaalsContact O-N 3.09Å |
| 457 | L | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -35 | -177.2 | -66.1 | -178.8 | 0 | 0 | 0 | 115 | T450 L453 S454 T459 L460 V461 Y486 W489 | T450-L457 HydrophobicContact CG2-CD1 4.44Å; L453-L457 HydrophobicContact CD2-CD2 3.86Å; L453-L457 HydrophobicContact CG-CD2 4.09Å; L453-L457 HydrophobicContact CG-CG 4.33Å; L453-L457 PolarHBondContact O-N 2.98Å; S454-L457 PolarHBondContact O-N 3.47Å; L457-T459 PolarHBondContact O-N 3.23Å; L457-L460 HydrophobicContact CD2-CB 4.5Å; L457-L460 HydrophobicContact CD2-CD1 4.35Å; L457-L460 PolarHBondContact O-N 3.44Å; L457-L460 VanDerWaalsContact O-N 3.16Å; L457-V461 HydrophobicContact CB-CG2 4.3Å; L457-V461 HydrophobicContact CD2-CG2 4.32Å; L457-V461 WeakPolarHBondContact O-CB 3.23Å; L457-V461 PolarHBondContact O-N 3.24Å; L457-Y486 HydrophobicContact CD1-CD1 3.91Å; L457-Y486 HydrophobicContact CD1-CE1 4.08Å; L457-Y486 HydrophobicContact CD2-CD1 3.83Å; L457-Y486 HydrophobicContact CD2-CE1 3.62Å; L457-Y486 HydrophobicContact CD2-CG 4.49Å; L457-W489 HydrophobicContact CB-CD2 3.86Å; L457-W489 HydrophobicContact CB-CE3 4.07Å; L457-W489 HydrophobicContact CB-CH2 3.76Å; L457-W489 HydrophobicContact CB-CZ2 3.52Å; L457-W489 HydrophobicContact CB-CZ3 4.02Å; L457-W489 HydrophobicContact CD1-CB 4.1Å; L457-W489 VanDerWaalsContact CD1-CD1 3.5Å; L457-W489 HydrophobicContact CD1-CD2 3.57Å; L457-W489 HydrophobicContact CD1-CE3 4.27Å; L457-W489 HydrophobicContact CD1-CG 3.44Å; L457-W489 VanDerWaalsContact CD1-CG 3.44Å; L457-W489 HydrophobicContact CG-CD2 4.35Å |
| 458 | P | 97.5 | Very high | 95.9 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57 | -22.3 | 172.8 | -30.6 | 38 | 0 | 0 | 0 | 114.9 | S454 H456 P462 W489 E496 | S454-P458 WeakPolarHBondContact O-CD 3.18Å; H456-P458 VanDerWaalsContact C-CD 3.45Å; P458-P462 WeakPolarHBondContact O-CD 3.48Å; P458-P462 VanDerWaalsContact O-CG 3.32Å; P458-P462 WeakPolarHBondContact O-CG 3.47Å; P458-W489 HydrophobicContact CG-CH2 4.21Å; P458-W489 HydrophobicContact CG-CZ2 4.02Å; P458-E496 WeakPolarHBondContact CB-OE2 3.31Å |
| 459 | T | 96.4 | Very high | 96.1 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 62% | 0.62 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -98.8 | -38.1 | 173.7 | -57.8 | 0 | 0 | 0 | 0 | 112 | H456 L457 Y463 | H456-T459 PolarHBondContact O-N 3.36Å; L457-T459 PolarHBondContact O-N 3.23Å; T459-Y463 WeakPolarHBondContact O-CB 3.33Å; T459-Y463 PolarHBondContact O-N 3.01Å |
| 460 | L | 97.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.2 | -44.7 | -175.2 | -65.8 | 171.4 | 0 | 0 | 0 | 112.5 | L427 L442 L453 H456 L457 Y463 L464 | L427-L460 HydrophobicContact CD1-CD2 3.44Å; L427-L460 VanDerWaalsContact CD1-CD2 3.44Å; L442-L460 HydrophobicContact CD1-CD1 4.1Å; L442-L460 HydrophobicContact CD2-CB 4.5Å; L442-L460 HydrophobicContact CD2-CD2 4.45Å; L453-L460 HydrophobicContact CD1-CD1 4.29Å; L453-L460 HydrophobicContact CD2-CD1 4.28Å; L453-L460 HydrophobicContact CG-CD1 4.33Å; H456-L460 HydrophobicContact CB-CD1 3.77Å; H456-L460 HydrophobicContact CB-CG 4.4Å; H456-L460 WeakPolarHBondContact O-CG 3.26Å; H456-L460 PolarHBondContact O-N 2.76Å; H456-L460 VanDerWaalsContact O-N 3.09Å; L457-L460 HydrophobicContact CD2-CB 4.5Å; L457-L460 HydrophobicContact CD2-CD1 4.35Å; L457-L460 PolarHBondContact O-N 3.44Å; L457-L460 VanDerWaalsContact O-N 3.16Å; L460-Y463 WeakPolarHBondContact O-CB 3.37Å; L460-Y463 PolarHBondContact O-N 2.96Å; L460-L464 WeakPolarHBondContact O-CG 3.38Å; L460-L464 PolarHBondContact O-N 3.42Å |
| 461 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -50.4 | -177.1 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | L457 Y463 L464 I465 L483 W489 V490 V498 | L457-V461 HydrophobicContact CB-CG2 4.3Å; L457-V461 HydrophobicContact CD2-CG2 4.32Å; L457-V461 WeakPolarHBondContact O-CB 3.23Å; L457-V461 PolarHBondContact O-N 3.24Å; V461-Y463 PolarHBondContact O-N 3.4Å; V461-L464 PolarHBondContact O-N 2.97Å; V461-L464 VanDerWaalsContact O-N 3.14Å; V461-I465 HydrophobicContact CG1-CD1 3.85Å; V461-I465 HydrophobicContact CG1-CG1 4.42Å; V461-I465 WeakPolarHBondContact O-CG1 3.3Å; V461-I465 PolarHBondContact O-N 3.14Å; V461-L483 HydrophobicContact CG1-CD2 4.01Å; V461-W489 HydrophobicContact CB-CZ3 4.06Å; V461-W489 HydrophobicContact CG1-CZ3 4.37Å; V461-W489 HydrophobicContact CG2-CE3 3.93Å; V461-W489 HydrophobicContact CG2-CZ3 3.72Å; V461-V490 HydrophobicContact CG1-CG2 4.12Å; V461-V498 HydrophobicContact CG1-CB 4.14Å; V461-V498 HydrophobicContact CG1-CG1 4.4Å; V461-V498 HydrophobicContact CG1-CG2 4.21Å |
| 462 | P | 98.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.9 | -36.1 | 174.6 | -26.8 | 36.2 | 0 | 0 | 0 | 113.6 | P458 I465 E466 V498 | P458-P462 WeakPolarHBondContact O-CD 3.48Å; P458-P462 VanDerWaalsContact O-CG 3.32Å; P458-P462 WeakPolarHBondContact O-CG 3.47Å; P462-I465 PolarHBondContact O-N 3.4Å; P462-E466 PolarHBondContact O-N 3.04Å; P462-V498 HydrophobicContact CG-CG1 3.82Å |
| 463 | Y | 98.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.7 | 172.6 | -103.6 | 0 | 0 | 0 | 112.6 | L427 R428 K435 T459 L460 V461 E466 C467 | L427-Y463 HydrophobicContact CB-CE1 3.92Å; L427-Y463 HydrophobicContact CD2-CE1 4.35Å; L427-Y463 PolarHBondContact O-OH 3.22Å; R428-Y463 HydrophobicContact CG-CE2 4Å; K435-Y463 WeakPolarHBondContact CE-OH 3.47Å; T459-Y463 WeakPolarHBondContact O-CB 3.33Å; T459-Y463 PolarHBondContact O-N 3.01Å; L460-Y463 WeakPolarHBondContact O-CB 3.37Å; L460-Y463 PolarHBondContact O-N 2.96Å; V461-Y463 PolarHBondContact O-N 3.4Å; Y463-E466 WeakPolarHBondContact O-CB 3.43Å; Y463-E466 PolarHBondContact O-N 2.89Å; Y463-C467 PolarHBondContact O-N 2.6Å; Y463-C467 PolarHBondContact O-SG 2.88Å; Y463-C467 PolarHBondContact OH-SG 2.91Å |
| 464 | L | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 174.8 | -69.2 | 174.8 | 0 | 0 | 0 | 111.6 | I439 L442 L460 V461 E466 C467 M468 T482 L483 | I439-L464 HydrophobicContact CG1-CD2 4.11Å; I439-L464 HydrophobicContact CG2-CD2 3.8Å; L442-L464 HydrophobicContact CD2-CD1 3.8Å; L442-L464 HydrophobicContact CD2-CD2 4.25Å; L442-L464 HydrophobicContact CD2-CG 4.29Å; L460-L464 WeakPolarHBondContact O-CG 3.38Å; L460-L464 PolarHBondContact O-N 3.42Å; V461-L464 PolarHBondContact O-N 2.97Å; V461-L464 VanDerWaalsContact O-N 3.14Å; L464-E466 VanDerWaalsContact C-N 3.29Å; L464-E466 PolarHBondContact O-N 3.11Å; L464-C467 CarbonylContact O-C 3Å; L464-C467 WeakPolarHBondContact O-CA 3.45Å; L464-C467 WeakPolarHBondContact O-CB 3.06Å; L464-C467 PolarHBondContact O-N 2.94Å; L464-M468 PolarHBondContact O-N 3.35Å; L464-T482 HydrophobicContact CD1-CG2 3.67Å; L464-T482 HydrophobicContact CD2-CG2 4.46Å; L464-L483 HydrophobicContact CB-CD1 3.96Å; L464-L483 HydrophobicContact CB-CD2 3.84Å; L464-L483 HydrophobicContact CB-CG 3.86Å; L464-L483 HydrophobicContact CD1-CD2 4.14Å; L464-L483 HydrophobicContact CD1-CG 4.26Å |
| 465 | I | 98.7 | Very high | 96.4 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 174.7 | -66.5 | 168.8 | 0 | 0 | 0 | 110.4 | V461 P462 C467 M468 L483 V498 P501 L502 Q505 | V461-I465 HydrophobicContact CG1-CD1 3.85Å; V461-I465 HydrophobicContact CG1-CG1 4.42Å; V461-I465 WeakPolarHBondContact O-CG1 3.3Å; V461-I465 PolarHBondContact O-N 3.14Å; P462-I465 PolarHBondContact O-N 3.4Å; I465-C467 VanDerWaalsContact C-N 3.34Å; I465-C467 PolarHBondContact O-N 2.96Å; I465-M468 WeakPolarHBondContact O-CB 3.41Å; I465-M468 PolarHBondContact O-N 3.19Å; I465-L483 HydrophobicContact CG1-CD1 4.07Å; I465-L483 HydrophobicContact CG1-CD2 4.14Å; I465-V498 HydrophobicContact CD1-CB 4.42Å; I465-P501 HydrophobicContact CD1-CB 4.38Å; I465-P501 HydrophobicContact CG2-CB 4.34Å; I465-L502 HydrophobicContact CD1-CB 3.88Å; I465-L502 HydrophobicContact CG1-CB 4.32Å; I465-L502 HydrophobicContact CG1-CD1 4.18Å; I465-Q505 HydrophobicContact CG2-CB 4.34Å; I465-Q505 HydrophobicContact CG2-CG 3.62Å |
| 466 | E | 98.2 | Very high | 96.5 | Very high | 139 Ų | 139 | 37.3 Ų | 37.3 | 65% | 0.65 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61 | -42.4 | 172.8 | -174.1 | -174.9 | 170.7 | 0 | 0 | 111.6 | P462 Y463 L464 M468 S469 | P462-E466 PolarHBondContact O-N 3.04Å; Y463-E466 WeakPolarHBondContact O-CB 3.43Å; Y463-E466 PolarHBondContact O-N 2.89Å; L464-E466 VanDerWaalsContact C-N 3.29Å; L464-E466 PolarHBondContact O-N 3.11Å; E466-M468 PolarHBondContact O-N 2.93Å; E466-S469 PolarHBondContact O-N 2.95Å; E466-S469 VanDerWaalsContact O-N 3.08Å |
| 467 | C | 98 | Very high | 96.5 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69 | -15.2 | 179.2 | -66.9 | 0 | 0 | 0 | 0 | 114.1 | Y463 L464 I465 S469 D470 I475 C479 | Y463-C467 PolarHBondContact O-N 2.6Å; Y463-C467 PolarHBondContact O-SG 2.88Å; Y463-C467 PolarHBondContact OH-SG 2.91Å; L464-C467 CarbonylContact O-C 3Å; L464-C467 WeakPolarHBondContact O-CA 3.45Å; L464-C467 WeakPolarHBondContact O-CB 3.06Å; L464-C467 PolarHBondContact O-N 2.94Å; I465-C467 VanDerWaalsContact C-N 3.34Å; I465-C467 PolarHBondContact O-N 2.96Å; C467-S469 PolarHBondContact O-N 3.14Å; C467-S469 VanDerWaalsContact O-N 3.14Å; C467-D470 WeakPolarHBondContact O-CB 3.33Å; C467-D470 PolarHBondContact O-N 3.35Å; C467-I475 HydrophobicContact CB-CG2 4.22Å; C467-C479 WeakPolarHBondContact CB-SG 3.15Å |
| 468 | M | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.6 | 168.7 | -63.4 | 174 | 73.4 | 0 | 0 | 112.6 | L464 I465 E466 R476 C479 L483 L502 Q505 L506 R509 | L464-M468 PolarHBondContact O-N 3.35Å; I465-M468 WeakPolarHBondContact O-CB 3.41Å; I465-M468 PolarHBondContact O-N 3.19Å; E466-M468 PolarHBondContact O-N 2.93Å; M468-R476 WeakPolarHBondContact O-CD 3.47Å; M468-R476 WeakPolarHBondContact O-CG 3.1Å; M468-C479 HydrophobicContact CG-CB 3.97Å; M468-L483 HydrophobicContact CG-CD1 3.81Å; M468-L483 HydrophobicContact SD-CD1 3.38Å; M468-L483 WeakPolarHBondContact SD-CD1 3.38Å; M468-L502 HydrophobicContact SD-CD1 4.17Å; M468-Q505 HydrophobicContact CB-CB 4.49Å; M468-Q505 HydrophobicContact CE-CB 3.71Å; M468-Q505 HydrophobicContact SD-CB 3.61Å; M468-Q505 HydrophobicContact SD-CG 4.43Å; M468-L506 HydrophobicContact CE-CD2 3.58Å; M468-L506 HydrophobicContact CE-CG 3.91Å; M468-R509 HydrophobicContact CB-CG 4.34Å; M468-R509 HydrophobicContact CE-CB 4.47Å; M468-R509 HydrophobicContact CE-CG 3.94Å; M468-R509 VanDerWaalsContact O-CD 3.26Å; M468-R509 WeakPolarHBondContact O-CD 3.19Å; M468-R509 PolarHBondContact O-NE 3.12Å |
| 469 | S | 96.9 | Very high | 96.4 | Very high | 69 Ų | 69 | 32.5 Ų | 32.5 | 48% | 0.483 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 13.3 | 173.6 | -70 | 0 | 0 | 0 | 0 | 113.6 | E466 C467 Q505 | E466-S469 PolarHBondContact O-N 2.95Å; E466-S469 VanDerWaalsContact O-N 3.08Å; C467-S469 PolarHBondContact O-N 3.14Å; C467-S469 VanDerWaalsContact O-N 3.14Å; S469-Q505 PolarHBondContact OG-OE1 2.93Å |
| 470 | D | 96.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 27.7 Ų | 27.7 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | trans | -63.3 | 142.6 | 179.1 | -165.8 | -69.7 | 0 | 0 | 0 | 111.8 | K435 C467 L472 I475 R476 | K435-D470 IonicContact NZ-OD2 2.69Å; K435-D470 PolarHBondContact NZ-OD2 3.22Å; C467-D470 WeakPolarHBondContact O-CB 3.33Å; C467-D470 PolarHBondContact O-N 3.35Å; D470-L472 PolarHBondContact O-N 3.16Å; D470-L472 WeakPolarHBondContact OD1-CB 3.45Å; D470-L472 PolarHBondContact OD1-N 3.01Å; D470-I475 HydrophobicContact CB-CB 3.84Å; D470-I475 HydrophobicContact CB-CG2 3.47Å; D470-I475 VanDerWaalsContact CB-CG2 3.47Å; D470-I475 VanDerWaalsContact CG-CG2 3.5Å; D470-R476 HydrophobicContact CB-CG 4.39Å; D470-R476 WeakPolarHBondContact O-CD 3.45Å; D470-R476 WeakPolarHBondContact O-CG 3.38Å; D470-R476 PolarHBondContact O-NH1 3.33Å | ||
| 471 | P | 93 | Very high | 96.5 | Very high | 117 Ų | 117 | 27.6 Ų | 27.6 | 76% | 0.76 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -58.6 | -29.5 | 176.6 | 23 | -35.6 | 0 | 0 | 0 | 113.7 | R476 | P471-R476 PolarHBondContact O-NH1 3.27Å; P471-R476 VanDerWaalsContact O-NH1 3.11Å |
| 472 | L | 92.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 27.6 Ų | 27.6 | 31% | 0.314 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -81.9 | 124.2 | -178.5 | -64.9 | 172.2 | 0 | 0 | 0 | 111.3 | W432 D470 L474 I475 R476 | W432-L472 HydrophobicContact CB-CD1 3.33Å; W432-L472 HydrophobicContact CD2-CD1 3.8Å; W432-L472 HydrophobicContact CE3-CD1 4.16Å; W432-L472 HydrophobicContact CG-CD1 3.43Å; W432-L472 VanDerWaalsContact CG-CD1 3.43Å; D470-L472 PolarHBondContact O-N 3.16Å; D470-L472 WeakPolarHBondContact OD1-CB 3.45Å; D470-L472 PolarHBondContact OD1-N 3.01Å; L472-L474 VanDerWaalsContact C-N 3.3Å; L472-L474 PolarHBondContact O-N 2.96Å; L472-I475 HydrophobicContact CB-CB 4.16Å; L472-I475 HydrophobicContact CB-CG1 3.76Å; L472-I475 HydrophobicContact CD1-CG1 4.01Å; L472-I475 PolarHBondContact O-N 3.21Å; L472-I475 VanDerWaalsContact O-N 3.13Å; L472-R476 PolarHBondContact O-N 2.97Å; L472-R476 VanDerWaalsContact O-N 3.12Å |
| 473 | V | 93.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.055 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -50.5 | -49.5 | 176.5 | 163.8 | 0 | 0 | 0 | 0 | 111.7 | I347 I475 R476 S477 N514 V517 | I347-V473 VanDerWaalsContact O-CG2 3.29Å; I347-V473 WeakPolarHBondContact O-CG2 3.23Å; V473-I475 VanDerWaalsContact C-N 3.28Å; V473-I475 PolarHBondContact O-N 2.73Å; V473-R476 PolarHBondContact O-N 3.15Å; V473-R476 VanDerWaalsContact O-N 3.12Å; V473-S477 PolarHBondContact O-N 3.35Å; V473-S477 PolarHBondContact O-OG 3.08Å; V473-N514 HydrophobicContact CG1-CB 4.3Å; V473-N514 VanDerWaalsContact CG1-CG 3.45Å; V473-N514 VanDerWaalsContact CG1-OD1 3.23Å; V473-N514 WeakPolarHBondContact CG1-OD1 3.43Å; V473-N514 HydrophobicContact CG2-CB 3.92Å; V473-V517 HydrophobicContact CG1-CG2 3.97Å |
| 474 | L | 92.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.4 | -32.5 | -176.7 | -62.6 | 175 | 0 | 0 | 0 | 112.6 | Y335 L340 L343 I347 W432 E436 L472 S477 I478 K516 | Y335-L474 HydrophobicContact CD2-CD1 4.18Å; Y335-L474 HydrophobicContact CE2-CB 4.5Å; Y335-L474 HydrophobicContact CE2-CD1 3.88Å; Y335-L474 HydrophobicContact CE2-CD2 4.38Å; Y335-L474 HydrophobicContact CE2-CG 4.48Å; L340-L474 HydrophobicContact CD2-CD1 4.32Å; L343-L474 HydrophobicContact CD1-CD1 4.24Å; L343-L474 HydrophobicContact CD1-CD2 4.32Å; I347-L474 HydrophobicContact CD1-CD1 4.14Å; I347-L474 HydrophobicContact CG1-CD1 4.35Å; I347-L474 HydrophobicContact CG1-CG 4.43Å; W432-L474 HydrophobicContact CH2-CD1 3.61Å; W432-L474 HydrophobicContact CZ3-CB 4.19Å; W432-L474 HydrophobicContact CZ3-CD1 3.68Å; E436-L474 HydrophobicContact CG-CB 4.35Å; L472-L474 VanDerWaalsContact C-N 3.3Å; L472-L474 PolarHBondContact O-N 2.96Å; L474-S477 WeakPolarHBondContact CA-OG 3.45Å; L474-S477 PolarHBondContact O-OG 2.89Å; L474-S477 VanDerWaalsContact O-OG 3.1Å; L474-I478 WeakPolarHBondContact O-CB 3.45Å; L474-I478 WeakPolarHBondContact O-CG2 3.32Å; L474-I478 PolarHBondContact O-N 3.38Å; L474-K516 HydrophobicContact CD2-CD 4.01Å |
| 475 | I | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.7 | -43.8 | 174.2 | -60.5 | -68.8 | 0 | 0 | 0 | 110.3 | K435 E436 I439 C467 D470 L472 V473 I478 C479 | K435-I475 HydrophobicContact CB-CD1 4.42Å; K435-I475 HydrophobicContact CD-CD1 4.08Å; K435-I475 HydrophobicContact CG-CD1 3.94Å; E436-I475 HydrophobicContact CB-CD1 3.53Å; E436-I475 HydrophobicContact CG-CD1 3.93Å; I439-I475 HydrophobicContact CD1-CD1 4.42Å; I439-I475 HydrophobicContact CD1-CG2 4.32Å; C467-I475 HydrophobicContact CB-CG2 4.22Å; D470-I475 HydrophobicContact CB-CB 3.84Å; D470-I475 HydrophobicContact CB-CG2 3.47Å; D470-I475 VanDerWaalsContact CB-CG2 3.47Å; D470-I475 VanDerWaalsContact CG-CG2 3.5Å; L472-I475 HydrophobicContact CB-CB 4.16Å; L472-I475 HydrophobicContact CB-CG1 3.76Å; L472-I475 HydrophobicContact CD1-CG1 4.01Å; L472-I475 PolarHBondContact O-N 3.21Å; L472-I475 VanDerWaalsContact O-N 3.13Å; V473-I475 VanDerWaalsContact C-N 3.28Å; V473-I475 PolarHBondContact O-N 2.73Å; I475-I478 WeakPolarHBondContact O-CG2 3.45Å; I475-C479 WeakPolarHBondContact O-CB 3.42Å; I475-C479 PolarHBondContact O-N 3.32Å; I475-C479 PolarHBondContact O-SG 2.83Å |
| 476 | R | 96.7 | Very high | 96.3 | Very high | 22 Ų | 22 | 25.4 Ų | 25.4 | 8% | 0.083 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | 177.9 | -62.1 | -162 | -59 | -75.8 | 2.6 | 111.3 | M468 D470 P471 L472 V473 C479 C480 D512 V517 | M468-R476 WeakPolarHBondContact O-CD 3.47Å; M468-R476 WeakPolarHBondContact O-CG 3.1Å; D470-R476 HydrophobicContact CB-CG 4.39Å; D470-R476 WeakPolarHBondContact O-CD 3.45Å; D470-R476 WeakPolarHBondContact O-CG 3.38Å; D470-R476 PolarHBondContact O-NH1 3.33Å; P471-R476 PolarHBondContact O-NH1 3.27Å; P471-R476 VanDerWaalsContact O-NH1 3.11Å; L472-R476 PolarHBondContact O-N 2.97Å; L472-R476 VanDerWaalsContact O-N 3.12Å; V473-R476 PolarHBondContact O-N 3.15Å; V473-R476 VanDerWaalsContact O-N 3.12Å; R476-C479 PolarHBondContact O-N 3.39Å; R476-C480 PolarHBondContact O-N 3.49Å; R476-C480 PolarHBondContact O-SG 3.41Å; R476-C480 VanDerWaalsContact O-SG 3.33Å; R476-D512 IonicContact CZ-OD1 3.21Å; R476-D512 IonicContact CZ-OD2 3.42Å; R476-D512 IonicContact NE-OD1 3.25Å; R476-D512 IonicContact NE-OD2 2.7Å; R476-D512 PolarHBondContact NE-OD2 3.39Å; R476-D512 IonicContact NH2-OD1 2.77Å; R476-D512 PolarHBondContact NH2-OD1 3.05Å; R476-D512 IonicContact NH2-OD2 3.25Å; R476-D512 PolarHBondContact NH2-OD2 3.39Å; R476-V517 HydrophobicContact CB-CG1 3.97Å; R476-V517 HydrophobicContact CB-CG2 3.96Å |
| 477 | S | 94.5 | Very high | 96.3 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | -179 | 60.2 | 0 | 0 | 0 | 0 | 112 | V473 L474 C479 C480 W481 | V473-S477 PolarHBondContact O-N 3.35Å; V473-S477 PolarHBondContact O-OG 3.08Å; L474-S477 WeakPolarHBondContact CA-OG 3.45Å; L474-S477 PolarHBondContact O-OG 2.89Å; L474-S477 VanDerWaalsContact O-OG 3.1Å; S477-C479 VanDerWaalsContact C-N 3.27Å; S477-C479 PolarHBondContact O-N 3.36Å; S477-C480 PolarHBondContact O-N 2.93Å; S477-W481 PolarHBondContact O-N 3.16Å |
| 478 | I | 95.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.2 | -29 | -179.7 | -162.4 | 63.2 | 0 | 0 | 0 | 112 | E436 I439 L440 L474 I475 W481 T482 | E436-I478 HydrophobicContact CG-CG2 4.01Å; E436-I478 WeakPolarHBondContact OE1-CB 3.4Å; E436-I478 WeakPolarHBondContact OE1-CG1 3.41Å; I439-I478 HydrophobicContact CB-CG2 4.08Å; I439-I478 HydrophobicContact CD1-CG2 4.39Å; I439-I478 HydrophobicContact CG2-CG1 4.13Å; I439-I478 HydrophobicContact CG2-CG2 3.8Å; L440-I478 HydrophobicContact CB-CD1 3.97Å; L440-I478 HydrophobicContact CB-CG1 4.07Å; L440-I478 HydrophobicContact CD1-CD1 4.06Å; L474-I478 WeakPolarHBondContact O-CB 3.45Å; L474-I478 WeakPolarHBondContact O-CG2 3.32Å; L474-I478 PolarHBondContact O-N 3.38Å; I475-I478 WeakPolarHBondContact O-CG2 3.45Å; I478-W481 HydrophobicContact CD1-CD2 4.4Å; I478-W481 HydrophobicContact CD1-CE3 3.68Å; I478-W481 HydrophobicContact CD1-CZ3 4.33Å; I478-T482 VanDerWaalsContact O-CB 3.23Å; I478-T482 WeakPolarHBondContact O-CB 3.4Å; I478-T482 PolarHBondContact O-N 3.47Å; I478-T482 PolarHBondContact O-OG1 3.27Å |
| 479 | C | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -44.1 | 173 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | C467 M468 I475 R476 S477 T482 L483 | C467-C479 WeakPolarHBondContact CB-SG 3.15Å; M468-C479 HydrophobicContact CG-CB 3.97Å; I475-C479 WeakPolarHBondContact O-CB 3.42Å; I475-C479 PolarHBondContact O-N 3.32Å; I475-C479 PolarHBondContact O-SG 2.83Å; R476-C479 PolarHBondContact O-N 3.39Å; S477-C479 VanDerWaalsContact C-N 3.27Å; S477-C479 PolarHBondContact O-N 3.36Å; C479-T482 PolarHBondContact O-N 3.12Å; C479-L483 VanDerWaalsContact O-CB 3.31Å; C479-L483 WeakPolarHBondContact O-CB 3.39Å; C479-L483 WeakPolarHBondContact O-CD1 3.33Å; C479-L483 WeakPolarHBondContact O-CG 3.44Å; C479-L483 PolarHBondContact O-N 2.88Å |
| 480 | C | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.9 | -50.5 | 174.4 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | R476 S477 T482 L483 S484 A520 A524 | R476-C480 PolarHBondContact O-N 3.49Å; R476-C480 PolarHBondContact O-SG 3.41Å; R476-C480 VanDerWaalsContact O-SG 3.33Å; S477-C480 PolarHBondContact O-N 2.93Å; C480-T482 PolarHBondContact O-N 3.28Å; C480-L483 PolarHBondContact O-N 3.23Å; C480-S484 PolarHBondContact O-N 3.25Å; C480-A520 HydrophobicContact CB-CB 3.9Å; C480-A520 WeakPolarHBondContact CB-O 3.32Å; C480-A524 HydrophobicContact CB-CB 4.34Å; C480-A524 WeakPolarHBondContact O-CB 3.46Å |
| 481 | W | 96.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 177.8 | 177 | 75.1 | 0 | 0 | 0 | 112.6 | I382 A385 L440 S477 I478 L483 S484 R485 | I382-W481 HydrophobicContact CB-CZ2 4.4Å; I382-W481 HydrophobicContact CD1-CH2 4.39Å; I382-W481 HydrophobicContact CG1-CH2 3.86Å; I382-W481 HydrophobicContact CG1-CZ2 3.58Å; A385-W481 HydrophobicContact CB-CD2 4.16Å; A385-W481 HydrophobicContact CB-CG 3.78Å; L440-W481 HydrophobicContact CD1-CE3 4.33Å; L440-W481 HydrophobicContact CD1-CH2 4Å; L440-W481 HydrophobicContact CD1-CZ3 3.62Å; S477-W481 PolarHBondContact O-N 3.16Å; I478-W481 HydrophobicContact CD1-CD2 4.4Å; I478-W481 HydrophobicContact CD1-CE3 3.68Å; I478-W481 HydrophobicContact CD1-CZ3 4.33Å; W481-L483 VanDerWaalsContact C-N 3.31Å; W481-L483 PolarHBondContact O-N 3.13Å; W481-S484 PolarHBondContact O-N 3.02Å; W481-S484 PolarHBondContact O-OG 2.92Å; W481-R485 HydrophobicContact CH2-CG 4.43Å; W481-R485 HydrophobicContact CZ2-CG 4.11Å |
| 482 | T | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 179.3 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | I439 L442 L464 I478 C479 C480 R485 Y486 | I439-T482 HydrophobicContact CG2-CG2 4.16Å; I439-T482 VanDerWaalsContact CG2-OG1 3.26Å; I439-T482 WeakPolarHBondContact CG2-OG1 3.5Å; I439-T482 PolarHBondContact O-OG1 2.97Å; L442-T482 HydrophobicContact CB-CG2 4.4Å; L442-T482 HydrophobicContact CD2-CG2 4.45Å; L442-T482 HydrophobicContact CG-CG2 4.19Å; L464-T482 HydrophobicContact CD1-CG2 3.67Å; L464-T482 HydrophobicContact CD2-CG2 4.46Å; I478-T482 VanDerWaalsContact O-CB 3.23Å; I478-T482 WeakPolarHBondContact O-CB 3.4Å; I478-T482 PolarHBondContact O-N 3.47Å; I478-T482 PolarHBondContact O-OG1 3.27Å; C479-T482 PolarHBondContact O-N 3.12Å; C480-T482 PolarHBondContact O-N 3.28Å; T482-R485 PolarHBondContact O-N 3.33Å; T482-Y486 HydrophobicContact CG2-CD2 4.39Å; T482-Y486 HydrophobicContact CG2-CE2 4.12Å; T482-Y486 WeakPolarHBondContact O-CD2 3.34Å |
| 483 | L | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.4 | -32.3 | 178.9 | -78.6 | 161.7 | 0 | 0 | 0 | 112.7 | V461 L464 I465 M468 C479 C480 W481 R485 Y486 C487 L502 | V461-L483 HydrophobicContact CG1-CD2 4.01Å; L464-L483 HydrophobicContact CB-CD1 3.96Å; L464-L483 HydrophobicContact CB-CD2 3.84Å; L464-L483 HydrophobicContact CB-CG 3.86Å; L464-L483 HydrophobicContact CD1-CD2 4.14Å; L464-L483 HydrophobicContact CD1-CG 4.26Å; I465-L483 HydrophobicContact CG1-CD1 4.07Å; I465-L483 HydrophobicContact CG1-CD2 4.14Å; M468-L483 HydrophobicContact CG-CD1 3.81Å; M468-L483 HydrophobicContact SD-CD1 3.38Å; M468-L483 WeakPolarHBondContact SD-CD1 3.38Å; C479-L483 VanDerWaalsContact O-CB 3.31Å; C479-L483 WeakPolarHBondContact O-CB 3.39Å; C479-L483 WeakPolarHBondContact O-CD1 3.33Å; C479-L483 WeakPolarHBondContact O-CG 3.44Å; C479-L483 PolarHBondContact O-N 2.88Å; C480-L483 PolarHBondContact O-N 3.23Å; W481-L483 VanDerWaalsContact C-N 3.31Å; W481-L483 PolarHBondContact O-N 3.13Å; L483-R485 PolarHBondContact O-N 3.17Å; L483-Y486 CarbonylContact O-C 3.54Å; L483-Y486 PolarHBondContact O-N 3.26Å; L483-C487 PolarHBondContact O-N 3.07Å; L483-L502 HydrophobicContact CB-CD1 4.02Å; L483-L502 HydrophobicContact CD1-CD1 3.78Å; L483-L502 HydrophobicContact CD2-CD1 4.2Å; L483-L502 HydrophobicContact CG-CD1 4.22Å |
| 484 | S | 97.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 175.7 | 77.9 | 0 | 0 | 0 | 0 | 111.5 | C480 W481 Y486 C487 | C480-S484 PolarHBondContact O-N 3.25Å; W481-S484 PolarHBondContact O-N 3.02Å; W481-S484 PolarHBondContact O-OG 2.92Å; S484-Y486 PolarHBondContact O-N 3.48Å; S484-Y486 VanDerWaalsContact O-N 3.07Å; S484-C487 WeakPolarHBondContact O-CB 3.49Å; S484-C487 PolarHBondContact O-N 3.11Å; S484-C487 VanDerWaalsContact O-N 3.13Å |
| 485 | R | 96.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 29.4 Ų | 29.4 | 16% | 0.155 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.4 | 175.7 | -53.7 | -71.6 | -74.4 | 170.1 | 6.8 | 113.8 | V380 D405 A446 E447 W481 T482 L483 | V380-R485 PolarHBondContact O-NH1 2.9Å; D405-R485 IonicContact OD1-NH2 3.47Å; A446-R485 HydrophobicContact CB-CB 3.62Å; E447-R485 IonicContact OE2-CZ 3.09Å; E447-R485 IonicContact OE2-NH1 3.38Å; E447-R485 IonicContact OE2-NH2 2.75Å; E447-R485 PolarHBondContact OE2-NH2 2.93Å; W481-R485 HydrophobicContact CH2-CG 4.43Å; W481-R485 HydrophobicContact CZ2-CG 4.11Å; T482-R485 PolarHBondContact O-N 3.33Å; L483-R485 PolarHBondContact O-N 3.17Å |
| 486 | Y | 97.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 6.3 | 176.9 | -68.7 | -72.7 | 0 | 0 | 0 | 113.7 | L442 A446 L453 L457 T482 L483 S484 Y488 W489 V490 | L442-Y486 HydrophobicContact CD1-CE2 4.37Å; L442-Y486 WeakPolarHBondContact CD1-OH 3.48Å; L442-Y486 HydrophobicContact CG-CE2 4.17Å; L442-Y486 PolarHBondContact O-OH 2.85Å; A446-Y486 HydrophobicContact CB-CD1 4.39Å; A446-Y486 HydrophobicContact CB-CD2 4.48Å; A446-Y486 HydrophobicContact CB-CE1 3.82Å; A446-Y486 HydrophobicContact CB-CE2 3.9Å; L453-Y486 HydrophobicContact CD2-CE1 4.24Å; L453-Y486 WeakPolarHBondContact CD2-OH 3.38Å; L457-Y486 HydrophobicContact CD1-CD1 3.91Å; L457-Y486 HydrophobicContact CD1-CE1 4.08Å; L457-Y486 HydrophobicContact CD2-CD1 3.83Å; L457-Y486 HydrophobicContact CD2-CE1 3.62Å; L457-Y486 HydrophobicContact CD2-CG 4.49Å; T482-Y486 HydrophobicContact CG2-CD2 4.39Å; T482-Y486 HydrophobicContact CG2-CE2 4.12Å; T482-Y486 WeakPolarHBondContact O-CD2 3.34Å; L483-Y486 CarbonylContact O-C 3.54Å; L483-Y486 PolarHBondContact O-N 3.26Å; S484-Y486 PolarHBondContact O-N 3.48Å; S484-Y486 VanDerWaalsContact O-N 3.07Å; Y486-Y488 VanDerWaalsContact C-N 3.32Å; Y486-Y488 PolarHBondContact O-N 2.83Å; Y486-W489 PolarHBondContact O-N 2.99Å; Y486-W489 VanDerWaalsContact O-N 3.07Å; Y486-V490 WeakPolarHBondContact O-CG2 3.36Å; Y486-V490 PolarHBondContact O-N 3.35Å |
| 487 | C | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.2 | -45.5 | 178.9 | -77.3 | 0 | 0 | 0 | 0 | 112.4 | L483 S484 W489 V490 I491 T527 L528 E531 | L483-C487 PolarHBondContact O-N 3.07Å; S484-C487 WeakPolarHBondContact O-CB 3.49Å; S484-C487 PolarHBondContact O-N 3.11Å; S484-C487 VanDerWaalsContact O-N 3.13Å; C487-W489 VanDerWaalsContact C-N 3.32Å; C487-W489 PolarHBondContact O-N 3.18Å; C487-V490 WeakPolarHBondContact O-CB 3.28Å; C487-V490 PolarHBondContact O-N 2.8Å; C487-I491 WeakPolarHBondContact O-CG1 3.41Å; C487-I491 PolarHBondContact O-N 3Å; C487-T527 HydrophobicContact CB-CG2 4.23Å; C487-L528 HydrophobicContact CB-CD1 4.19Å; C487-E531 HydrophobicContact CB-CB 4.27Å; C487-E531 HydrophobicContact CB-CG 4Å |
| 488 | Y | 95.9 | Very high | 97 | Very high | 125 Ų | 125 | 38.2 Ų | 38.2 | 49% | 0.49 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52 | -48.7 | 174.9 | -179.9 | -98 | 0 | 0 | 0 | 112.2 | Y486 V490 I491 Q492 E531 | Y486-Y488 VanDerWaalsContact C-N 3.32Å; Y486-Y488 PolarHBondContact O-N 2.83Å; Y488-V490 VanDerWaalsContact C-N 3.35Å; Y488-V490 PolarHBondContact O-N 3.22Å; Y488-I491 PolarHBondContact O-N 3.44Å; Y488-Q492 HydrophobicContact CD1-CG 4.12Å; Y488-Q492 HydrophobicContact CD2-CG 4.31Å; Y488-Q492 HydrophobicContact CE1-CG 3.7Å; Y488-Q492 HydrophobicContact CE2-CG 3.91Å; Y488-Q492 HydrophobicContact CG-CG 4.4Å; Y488-Q492 WeakPolarHBondContact O-CB 3.39Å; Y488-Q492 VanDerWaalsContact O-CG 3.29Å; Y488-Q492 WeakPolarHBondContact O-CG 3.43Å; Y488-Q492 PolarHBondContact O-N 3.43Å; Y488-E531 WeakPolarHBondContact CD2-OE2 3.42Å |
| 489 | W | 97.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 4% | 0.038 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 179.1 | 178.8 | 87.7 | 0 | 0 | 0 | 112 | T450 S454 L457 P458 V461 Y486 C487 I491 Q492 N493 E496 V498 | T450-W489 HydrophobicContact CG2-CB 4.21Å; S454-W489 PolarHBondContact OG-NE1 2.86Å; L457-W489 HydrophobicContact CB-CD2 3.86Å; L457-W489 HydrophobicContact CB-CE3 4.07Å; L457-W489 HydrophobicContact CB-CH2 3.76Å; L457-W489 HydrophobicContact CB-CZ2 3.52Å; L457-W489 HydrophobicContact CB-CZ3 4.02Å; L457-W489 HydrophobicContact CD1-CB 4.1Å; L457-W489 VanDerWaalsContact CD1-CD1 3.5Å; L457-W489 HydrophobicContact CD1-CD2 3.57Å; L457-W489 HydrophobicContact CD1-CE3 4.27Å; L457-W489 HydrophobicContact CD1-CG 3.44Å; L457-W489 VanDerWaalsContact CD1-CG 3.44Å; L457-W489 HydrophobicContact CG-CD2 4.35Å; P458-W489 HydrophobicContact CG-CH2 4.21Å; P458-W489 HydrophobicContact CG-CZ2 4.02Å; V461-W489 HydrophobicContact CB-CZ3 4.06Å; V461-W489 HydrophobicContact CG1-CZ3 4.37Å; V461-W489 HydrophobicContact CG2-CE3 3.93Å; V461-W489 HydrophobicContact CG2-CZ3 3.72Å; Y486-W489 PolarHBondContact O-N 2.99Å; Y486-W489 VanDerWaalsContact O-N 3.07Å; C487-W489 VanDerWaalsContact C-N 3.32Å; C487-W489 PolarHBondContact O-N 3.18Å; W489-I491 VanDerWaalsContact C-N 3.31Å; W489-I491 PolarHBondContact O-N 3.29Å; W489-Q492 PolarHBondContact O-N 3.13Å; W489-N493 HydrophobicContact CZ2-CB 4.21Å; W489-N493 PolarHBondContact NE1-ND2 3.01Å; W489-N493 VanDerWaalsContact NE1-ND2 3.16Å; W489-N493 WeakPolarHBondContact O-CB 3.36Å; W489-N493 PolarHBondContact O-N 3.03Å; W489-N493 VanDerWaalsContact O-N 3.12Å; W489-N493 PolarHBondContact O-ND2 3.39Å; W489-E496 HydrophobicContact CH2-CB 4.29Å; W489-E496 HydrophobicContact CH2-CG 3.86Å; W489-E496 HydrophobicContact CZ2-CG 4.13Å; W489-V498 HydrophobicContact CZ3-CG2 4.01Å |
| 490 | V | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | 177.7 | 169.6 | 0 | 0 | 0 | 0 | 111 | V461 Y486 C487 Y488 V498 F499 L502 | V461-V490 HydrophobicContact CG1-CG2 4.12Å; Y486-V490 WeakPolarHBondContact O-CG2 3.36Å; Y486-V490 PolarHBondContact O-N 3.35Å; C487-V490 WeakPolarHBondContact O-CB 3.28Å; C487-V490 PolarHBondContact O-N 2.8Å; Y488-V490 VanDerWaalsContact C-N 3.35Å; Y488-V490 PolarHBondContact O-N 3.22Å; V490-V498 HydrophobicContact CB-CG2 4.45Å; V490-V498 HydrophobicContact CG1-CG2 4.02Å; V490-V498 HydrophobicContact CG2-CG2 4.17Å; V490-F499 HydrophobicContact CG1-CB 3.83Å; V490-F499 HydrophobicContact CG1-CD2 4.22Å; V490-L502 HydrophobicContact CG1-CD2 4.21Å; V490-L502 HydrophobicContact CG2-CD2 4.07Å |
| 491 | I | 97.4 | Very high | 97.1 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 18% | 0.179 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74 | -38.1 | 180 | -59 | -54 | 0 | 0 | 0 | 112.3 | C487 Y488 W489 N493 F499 L528 E531 A532 | C487-I491 WeakPolarHBondContact O-CG1 3.41Å; C487-I491 PolarHBondContact O-N 3Å; Y488-I491 PolarHBondContact O-N 3.44Å; W489-I491 VanDerWaalsContact C-N 3.31Å; W489-I491 PolarHBondContact O-N 3.29Å; I491-N493 PolarHBondContact O-N 2.93Å; I491-F499 HydrophobicContact CD1-CD2 3.35Å; I491-F499 HydrophobicContact CD1-CE2 3.49Å; I491-F499 VanDerWaalsContact CD1-CE2 3.49Å; I491-F499 HydrophobicContact CD1-CG 4.18Å; I491-F499 HydrophobicContact CD1-CZ 4.39Å; I491-L528 HydrophobicContact CD1-CD1 4.08Å; I491-L528 HydrophobicContact CG1-CD1 4.47Å; I491-E531 HydrophobicContact CG1-CB 4Å; I491-A532 HydrophobicContact CD1-CB 3.67Å; I491-A532 HydrophobicContact CG1-CB 4.28Å |
| 492 | Q | 95.8 | Very high | 97.2 | Very high | 107 Ų | 107 | 44.8 Ų | 44.8 | 50% | 0.5 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.2 | -10.4 | 178.4 | -64.7 | -53.9 | -49.6 | 0 | 0 | 113.9 | Y488 W489 P494 | Y488-Q492 HydrophobicContact CD1-CG 4.12Å; Y488-Q492 HydrophobicContact CD2-CG 4.31Å; Y488-Q492 HydrophobicContact CE1-CG 3.7Å; Y488-Q492 HydrophobicContact CE2-CG 3.91Å; Y488-Q492 HydrophobicContact CG-CG 4.4Å; Y488-Q492 WeakPolarHBondContact O-CB 3.39Å; Y488-Q492 VanDerWaalsContact O-CG 3.29Å; Y488-Q492 WeakPolarHBondContact O-CG 3.43Å; Y488-Q492 PolarHBondContact O-N 3.43Å; W489-Q492 PolarHBondContact O-N 3.13Å; Q492-P494 WeakPolarHBondContact O-CD 3.33Å |
| 493 | N | 96.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.171 | 22% | 0.223 | C | C | . | . | trans | -124.1 | 60.2 | -177.7 | -67.5 | -86.3 | 0 | 0 | 0 | 112.7 | W489 I491 Q495 E496 | W489-N493 HydrophobicContact CZ2-CB 4.21Å; W489-N493 PolarHBondContact NE1-ND2 3.01Å; W489-N493 VanDerWaalsContact NE1-ND2 3.16Å; W489-N493 WeakPolarHBondContact O-CB 3.36Å; W489-N493 PolarHBondContact O-N 3.03Å; W489-N493 VanDerWaalsContact O-N 3.12Å; W489-N493 PolarHBondContact O-ND2 3.39Å; I491-N493 PolarHBondContact O-N 2.93Å; N493-Q495 VanDerWaalsContact C-OE1 3.26Å; N493-Q495 PolarHBondContact O-N 3.27Å; N493-Q495 PolarHBondContact OD1-NE2 3.48Å; N493-E496 HydrophobicContact CB-CG 3.98Å; N493-E496 PolarHBondContact O-N 3.29Å; N493-E496 VanDerWaalsContact O-N 3.09Å | ||
| 494 | P | 95.1 | Very high | 97.3 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -61.7 | -21.3 | -176.6 | 27 | -35.9 | 0 | 0 | 0 | 113.5 | Q492 E496 D497 | Q492-P494 WeakPolarHBondContact O-CD 3.33Å; P494-E496 PolarHBondContact O-N 3.45Å; P494-D497 PolarHBondContact O-N 3.19Å |
| 495 | Q | 96.3 | Very high | 97.3 | Very high | 113 Ų | 113 | 50.4 Ų | 50.4 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -68 | -15.2 | 177.3 | 74.6 | -74.5 | -12.5 | 0 | 0 | 114.6 | N493 D497 | N493-Q495 VanDerWaalsContact C-OE1 3.26Å; N493-Q495 PolarHBondContact O-N 3.27Å; N493-Q495 PolarHBondContact OD1-NE2 3.48Å; Q495-D497 VanDerWaalsContact C-N 3.3Å |
| 496 | E | 96.3 | Very high | 97.4 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -83.7 | -7.2 | 179.9 | -57.8 | -62.2 | 150.8 | 0 | 0 | 112.3 | P458 W489 N493 P494 V498 | P458-E496 WeakPolarHBondContact CB-OE2 3.31Å; W489-E496 HydrophobicContact CH2-CB 4.29Å; W489-E496 HydrophobicContact CH2-CG 3.86Å; W489-E496 HydrophobicContact CZ2-CG 4.13Å; N493-E496 HydrophobicContact CB-CG 3.98Å; N493-E496 PolarHBondContact O-N 3.29Å; N493-E496 VanDerWaalsContact O-N 3.09Å; P494-E496 PolarHBondContact O-N 3.45Å; E496-V498 HydrophobicContact CB-CG1 4.23Å; E496-V498 HydrophobicContact CB-CG2 4.15Å; E496-V498 WeakPolarHBondContact O-CG1 3.26Å; E496-V498 PolarHBondContact O-N 3.09Å; E496-V498 VanDerWaalsContact O-N 3.11Å |
| 497 | D | 95.8 | Very high | 97.4 | Very high | 135 Ų | 135 | 49.1 Ų | 49.1 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | trans | 54.7 | 27.2 | 178.5 | -62.1 | -40.2 | 0 | 0 | 0 | 114.4 | P494 Q495 P501 | P494-D497 PolarHBondContact O-N 3.19Å; Q495-D497 VanDerWaalsContact C-N 3.3Å; D497-P501 VanDerWaalsContact O-CD 3.25Å; D497-P501 WeakPolarHBondContact O-CD 3.4Å; D497-P501 WeakPolarHBondContact O-CG 3.23Å | ||
| 498 | V | 97.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | trans | -95.5 | -17.4 | -176.7 | -64.7 | 0 | 0 | 0 | 0 | 115 | V461 P462 I465 W489 V490 E496 P501 L502 | V461-V498 HydrophobicContact CG1-CB 4.14Å; V461-V498 HydrophobicContact CG1-CG1 4.4Å; V461-V498 HydrophobicContact CG1-CG2 4.21Å; P462-V498 HydrophobicContact CG-CG1 3.82Å; I465-V498 HydrophobicContact CD1-CB 4.42Å; W489-V498 HydrophobicContact CZ3-CG2 4.01Å; V490-V498 HydrophobicContact CB-CG2 4.45Å; V490-V498 HydrophobicContact CG1-CG2 4.02Å; V490-V498 HydrophobicContact CG2-CG2 4.17Å; E496-V498 HydrophobicContact CB-CG1 4.23Å; E496-V498 HydrophobicContact CB-CG2 4.15Å; E496-V498 WeakPolarHBondContact O-CG1 3.26Å; E496-V498 PolarHBondContact O-N 3.09Å; E496-V498 VanDerWaalsContact O-N 3.11Å; V498-P501 WeakPolarHBondContact O-CD 3.37Å; V498-L502 WeakPolarHBondContact O-CB 3.19Å; V498-L502 PolarHBondContact O-N 3.19Å | ||
| 499 | F | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -54.5 | -179.2 | 169.8 | -114.2 | 0 | 0 | 0 | 112.9 | V490 I491 L502 L503 L528 A532 A535 L536 Y539 | V490-F499 HydrophobicContact CG1-CB 3.83Å; V490-F499 HydrophobicContact CG1-CD2 4.22Å; I491-F499 HydrophobicContact CD1-CD2 3.35Å; I491-F499 HydrophobicContact CD1-CE2 3.49Å; I491-F499 VanDerWaalsContact CD1-CE2 3.49Å; I491-F499 HydrophobicContact CD1-CG 4.18Å; I491-F499 HydrophobicContact CD1-CZ 4.39Å; F499-L502 WeakPolarHBondContact O-CB 3.44Å; F499-L502 PolarHBondContact O-N 3.48Å; F499-L503 HydrophobicContact CZ-CD2 4.32Å; F499-L503 PolarHBondContact O-N 3.21Å; F499-L528 HydrophobicContact CD2-CD1 4.06Å; F499-L528 HydrophobicContact CE2-CD1 3.91Å; F499-L528 HydrophobicContact CE2-CD2 4.18Å; F499-L528 HydrophobicContact CE2-CG 4.16Å; F499-A532 HydrophobicContact CE2-CB 3.83Å; F499-A532 HydrophobicContact CZ-CB 4.05Å; F499-A535 HydrophobicContact CZ-CB 4.47Å; F499-L536 HydrophobicContact CE2-CD2 4.31Å; F499-L536 HydrophobicContact CZ-CD2 3.77Å; F499-Y539 HydrophobicContact CD1-CE2 4.47Å; F499-Y539 HydrophobicContact CE1-CD2 4.2Å; F499-Y539 AromaticContact CE1-CE2 3.72Å; F499-Y539 HydrophobicContact CE1-CE2 3.72Å |
| 500 | E | 98.1 | Very high | 97.6 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -44.6 | -178.7 | 174.8 | 172.8 | 172 | 0 | 0 | 112.7 | L502 L503 R504 Y539 | E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 2.81Å; E500-L503 PolarHBondContact O-N 3.39Å; E500-R504 HydrophobicContact CG-CG 4.34Å; E500-R504 WeakPolarHBondContact O-CB 3.34Å; E500-R504 VanDerWaalsContact O-CG 3.32Å; E500-R504 WeakPolarHBondContact O-CG 3.47Å; E500-R504 PolarHBondContact O-N 3.06Å; E500-R504 IonicContact OE1-CZ 2.82Å; E500-R504 IonicContact OE1-NE 3.86Å; E500-R504 PolarHBondContact OE1-NE 3.26Å; E500-R504 IonicContact OE1-NH2 3.36Å; E500-R504 PolarHBondContact OE1-NH2 3.34Å; E500-Y539 HydrophobicContact CB-CE1 4.39Å; E500-Y539 HydrophobicContact CG-CE1 3.9Å; E500-Y539 PolarHBondContact OE2-OH 3.16Å |
| 501 | P | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.3 | -42.6 | 171.2 | -28.8 | 35.4 | 0 | 0 | 0 | 114 | I465 D497 V498 Q505 | I465-P501 HydrophobicContact CD1-CB 4.38Å; I465-P501 HydrophobicContact CG2-CB 4.34Å; D497-P501 VanDerWaalsContact O-CD 3.25Å; D497-P501 WeakPolarHBondContact O-CD 3.4Å; D497-P501 WeakPolarHBondContact O-CG 3.23Å; V498-P501 WeakPolarHBondContact O-CD 3.37Å; P501-Q505 WeakPolarHBondContact O-CG 3.33Å; P501-Q505 PolarHBondContact O-N 3.06Å |
| 502 | L | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -53.3 | 177.4 | 175.2 | 59.1 | 0 | 0 | 0 | 111.1 | I465 M468 L483 V490 V498 F499 E500 R504 Q505 L506 L528 | I465-L502 HydrophobicContact CD1-CB 3.88Å; I465-L502 HydrophobicContact CG1-CB 4.32Å; I465-L502 HydrophobicContact CG1-CD1 4.18Å; M468-L502 HydrophobicContact SD-CD1 4.17Å; L483-L502 HydrophobicContact CB-CD1 4.02Å; L483-L502 HydrophobicContact CD1-CD1 3.78Å; L483-L502 HydrophobicContact CD2-CD1 4.2Å; L483-L502 HydrophobicContact CG-CD1 4.22Å; V490-L502 HydrophobicContact CG1-CD2 4.21Å; V490-L502 HydrophobicContact CG2-CD2 4.07Å; V498-L502 WeakPolarHBondContact O-CB 3.19Å; V498-L502 PolarHBondContact O-N 3.19Å; F499-L502 WeakPolarHBondContact O-CB 3.44Å; F499-L502 PolarHBondContact O-N 3.48Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 2.81Å; L502-R504 VanDerWaalsContact C-N 3.33Å; L502-R504 PolarHBondContact O-N 3.32Å; L502-Q505 PolarHBondContact O-N 2.8Å; L502-Q505 VanDerWaalsContact O-N 3.12Å; L502-L506 HydrophobicContact CD1-CD1 4.05Å; L502-L506 HydrophobicContact CD1-CG 4.12Å; L502-L506 HydrophobicContact CG-CD1 4.04Å; L502-L506 WeakPolarHBondContact O-CG 3.36Å; L502-L506 PolarHBondContact O-N 3.42Å; L502-L528 HydrophobicContact CD2-CD1 4.31Å; L502-L528 HydrophobicContact CD2-CD2 4.44Å; L502-L528 HydrophobicContact CG-CD2 4.35Å |
| 503 | L | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.5 | -51.1 | 179 | 177.1 | 60.9 | 0 | 0 | 0 | 110.6 | F499 E500 Q505 L506 L507 L525 L528 L536 Y539 I543 | F499-L503 HydrophobicContact CZ-CD2 4.32Å; F499-L503 PolarHBondContact O-N 3.21Å; E500-L503 PolarHBondContact O-N 3.39Å; L503-Q505 VanDerWaalsContact C-N 3.34Å; L503-Q505 PolarHBondContact O-N 3.18Å; L503-L506 WeakPolarHBondContact O-CB 3.33Å; L503-L506 PolarHBondContact O-N 3.44Å; L503-L506 VanDerWaalsContact O-N 3.14Å; L503-L507 HydrophobicContact CD1-CD1 4.45Å; L503-L507 HydrophobicContact CD1-CD2 4.4Å; L503-L507 HydrophobicContact CD1-CG 4.26Å; L503-L507 HydrophobicContact CG-CD1 4.36Å; L503-L507 WeakPolarHBondContact O-CG 3.35Å; L503-L507 PolarHBondContact O-N 3.29Å; L503-L525 HydrophobicContact CD1-CD1 3.79Å; L503-L528 HydrophobicContact CB-CD2 4.12Å; L503-L528 HydrophobicContact CD1-CD2 4.05Å; L503-L536 HydrophobicContact CD1-CD2 4.29Å; L503-L536 HydrophobicContact CD2-CD2 4.12Å; L503-Y539 HydrophobicContact CD2-CD1 3.91Å; L503-Y539 HydrophobicContact CD2-CD2 3.96Å; L503-Y539 HydrophobicContact CD2-CG 3.56Å; L503-I543 HydrophobicContact CD1-CD1 4.31Å; L503-I543 HydrophobicContact CD1-CG1 4.23Å; L503-I543 HydrophobicContact CD2-CD1 4.4Å |
| 504 | R | 98.5 | Very high | 97.2 | Very high | 85 Ų | 85 | 44.6 Ų | 44.6 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 179.8 | -69.5 | -179.5 | -176.7 | -63.7 | -11.7 | 112.5 | E500 L502 I508 E542 | E500-R504 HydrophobicContact CG-CG 4.34Å; E500-R504 WeakPolarHBondContact O-CB 3.34Å; E500-R504 VanDerWaalsContact O-CG 3.32Å; E500-R504 WeakPolarHBondContact O-CG 3.47Å; E500-R504 PolarHBondContact O-N 3.06Å; E500-R504 IonicContact OE1-CZ 2.82Å; E500-R504 IonicContact OE1-NE 3.86Å; E500-R504 PolarHBondContact OE1-NE 3.26Å; E500-R504 IonicContact OE1-NH2 3.36Å; E500-R504 PolarHBondContact OE1-NH2 3.34Å; L502-R504 VanDerWaalsContact C-N 3.33Å; L502-R504 PolarHBondContact O-N 3.32Å; R504-I508 WeakPolarHBondContact O-CD1 3.43Å; R504-I508 VanDerWaalsContact O-CG1 3.23Å; R504-I508 WeakPolarHBondContact O-CG1 3.44Å; R504-I508 PolarHBondContact O-N 3.25Å; R504-I508 VanDerWaalsContact O-N 3.16Å; R504-E542 IonicContact CZ-OE1 3.85Å; R504-E542 IonicContact CZ-OE2 3.1Å; R504-E542 IonicContact NH1-OE1 3.84Å; R504-E542 PolarHBondContact NH1-OE1 2.87Å; R504-E542 IonicContact NH1-OE2 2.8Å; R504-E542 PolarHBondContact NH1-OE2 3.44Å; R504-E542 IonicContact NH2-OE1 2.57Å; R504-E542 PolarHBondContact NH2-OE1 3.48Å |
| 505 | Q | 98.6 | Very high | 97 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | 175.3 | -75.2 | -55.6 | -55.3 | 0 | 0 | 112.2 | I465 M468 S469 P501 L502 L503 I508 R509 | I465-Q505 HydrophobicContact CG2-CB 4.34Å; I465-Q505 HydrophobicContact CG2-CG 3.62Å; M468-Q505 HydrophobicContact CB-CB 4.49Å; M468-Q505 HydrophobicContact CE-CB 3.71Å; M468-Q505 HydrophobicContact SD-CB 3.61Å; M468-Q505 HydrophobicContact SD-CG 4.43Å; S469-Q505 PolarHBondContact OG-OE1 2.93Å; P501-Q505 WeakPolarHBondContact O-CG 3.33Å; P501-Q505 PolarHBondContact O-N 3.06Å; L502-Q505 PolarHBondContact O-N 2.8Å; L502-Q505 VanDerWaalsContact O-N 3.12Å; L503-Q505 VanDerWaalsContact C-N 3.34Å; L503-Q505 PolarHBondContact O-N 3.18Å; Q505-I508 PolarHBondContact O-N 3.36Å; Q505-R509 WeakPolarHBondContact O-CG 3.43Å; Q505-R509 PolarHBondContact O-N 3.46Å |
| 506 | L | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 175 | -71.8 | 170.8 | 0 | 0 | 0 | 111.4 | M468 L502 L503 I508 R509 I510 A521 A524 L528 | M468-L506 HydrophobicContact CE-CD2 3.58Å; M468-L506 HydrophobicContact CE-CG 3.91Å; L502-L506 HydrophobicContact CD1-CD1 4.05Å; L502-L506 HydrophobicContact CD1-CG 4.12Å; L502-L506 HydrophobicContact CG-CD1 4.04Å; L502-L506 WeakPolarHBondContact O-CG 3.36Å; L502-L506 PolarHBondContact O-N 3.42Å; L503-L506 WeakPolarHBondContact O-CB 3.33Å; L503-L506 PolarHBondContact O-N 3.44Å; L503-L506 VanDerWaalsContact O-N 3.14Å; L506-I508 PolarHBondContact O-N 2.88Å; L506-R509 CarbonylContact O-C 3.58Å; L506-R509 PolarHBondContact O-N 2.79Å; L506-I510 WeakPolarHBondContact O-CG1 3.33Å; L506-I510 PolarHBondContact O-N 2.93Å; L506-A521 HydrophobicContact CD2-CB 4.46Å; L506-A524 HydrophobicContact CD2-CB 3.62Å; L506-L528 HydrophobicContact CD1-CB 4.35Å; L506-L528 HydrophobicContact CD1-CD2 3.73Å |
| 507 | L | 98.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -36.2 | 176.8 | -62.6 | -176.8 | 0 | 0 | 0 | 112.3 | L503 L525 E542 I543 A546 | L503-L507 HydrophobicContact CD1-CD1 4.45Å; L503-L507 HydrophobicContact CD1-CD2 4.4Å; L503-L507 HydrophobicContact CD1-CG 4.26Å; L503-L507 HydrophobicContact CG-CD1 4.36Å; L503-L507 WeakPolarHBondContact O-CG 3.35Å; L503-L507 PolarHBondContact O-N 3.29Å; L507-L525 HydrophobicContact CD2-CD1 4.36Å; L507-L525 HydrophobicContact CD2-CD2 4.12Å; L507-E542 HydrophobicContact CD1-CB 3.83Å; L507-I543 HydrophobicContact CD1-CG1 4.21Å; L507-I543 HydrophobicContact CD2-CB 4.44Å; L507-I543 HydrophobicContact CD2-CG1 4.15Å; L507-A546 HydrophobicContact CB-CB 4.14Å; L507-A546 HydrophobicContact CD2-CB 3.83Å; L507-A546 HydrophobicContact CG-CB 4.43Å |
| 508 | I | 98.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 27.3 Ų | 27.3 | 42% | 0.421 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -69.6 | -41.2 | 173.4 | -63.6 | 164.3 | 0 | 0 | 0 | 111.1 | R504 Q505 L506 L511 | R504-I508 WeakPolarHBondContact O-CD1 3.43Å; R504-I508 VanDerWaalsContact O-CG1 3.23Å; R504-I508 WeakPolarHBondContact O-CG1 3.44Å; R504-I508 PolarHBondContact O-N 3.25Å; R504-I508 VanDerWaalsContact O-N 3.16Å; Q505-I508 PolarHBondContact O-N 3.36Å; L506-I508 PolarHBondContact O-N 2.88Å; I508-L511 CarbonylContact O-C 3.6Å; I508-L511 PolarHBondContact O-N 3.32Å |
| 509 | R | 98 | Very high | 96.3 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 15% | 0.147 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76.4 | -26.3 | -176.4 | -71.1 | -52.1 | 109.3 | -150.4 | 3.6 | 114.2 | M468 Q505 L506 L511 D512 V517 A521 | M468-R509 HydrophobicContact CB-CG 4.34Å; M468-R509 HydrophobicContact CE-CB 4.47Å; M468-R509 HydrophobicContact CE-CG 3.94Å; M468-R509 VanDerWaalsContact O-CD 3.26Å; M468-R509 WeakPolarHBondContact O-CD 3.19Å; M468-R509 PolarHBondContact O-NE 3.12Å; Q505-R509 WeakPolarHBondContact O-CG 3.43Å; Q505-R509 PolarHBondContact O-N 3.46Å; L506-R509 CarbonylContact O-C 3.58Å; L506-R509 PolarHBondContact O-N 2.79Å; R509-L511 PolarHBondContact O-N 3.23Å; R509-L511 VanDerWaalsContact O-N 3.16Å; R509-D512 IonicContact CZ-OD2 3.87Å; R509-D512 IonicContact NH1-OD2 3.46Å; R509-D512 PolarHBondContact NH1-OD2 3.29Å; R509-D512 WeakPolarHBondContact O-CB 3.44Å; R509-D512 PolarHBondContact O-N 3.37Å; R509-V517 HydrophobicContact CB-CG1 4.12Å; R509-V517 HydrophobicContact CG-CG1 4.31Å; R509-A521 HydrophobicContact CB-CB 3.46Å; R509-A521 VanDerWaalsContact CB-CB 3.46Å |
| 510 | I | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -26.2 | 167 | -74.8 | 173.7 | 0 | 0 | 0 | 110.7 | L506 A521 C522 L525 A550 Y554 | L506-I510 WeakPolarHBondContact O-CG1 3.33Å; L506-I510 PolarHBondContact O-N 2.93Å; I510-A521 HydrophobicContact CG1-CB 3.9Å; I510-C522 HydrophobicContact CG1-CB 4.29Å; I510-L525 HydrophobicContact CD1-CB 3.74Å; I510-L525 HydrophobicContact CD1-CD2 3.23Å; I510-L525 HydrophobicContact CD1-CG 4.07Å; I510-A550 HydrophobicContact CG2-CB 3.44Å; I510-A550 VanDerWaalsContact CG2-CB 3.44Å; I510-Y554 WeakPolarHBondContact CG2-OH 3.24Å; I510-Y554 WeakPolarHBondContact O-CE1 3.5Å; I510-Y554 PolarHBondContact O-OH 2.91Å |
| 511 | L | 97.4 | Very high | 96.1 | Very high | 49 Ų | 49 | 24.5 Ų | 24.5 | 26% | 0.257 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 17.2 | 175 | -54.8 | 178.3 | 0 | 0 | 0 | 113.1 | I508 R509 E549 A550 K553 | I508-L511 CarbonylContact O-C 3.6Å; I508-L511 PolarHBondContact O-N 3.32Å; R509-L511 PolarHBondContact O-N 3.23Å; R509-L511 VanDerWaalsContact O-N 3.16Å; L511-E549 HydrophobicContact CD1-CB 4.19Å; L511-E549 WeakPolarHBondContact CD1-OE2 2.91Å; L511-E549 HydrophobicContact CD2-CB 3.68Å; L511-A550 HydrophobicContact CD2-CB 4.14Å; L511-K553 PolarHBondContact O-NZ 3.22Å |
| 512 | D | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -61.5 | 143.3 | -179.2 | -165.2 | -72.3 | 0 | 0 | 0 | 111.8 | R476 R509 N514 V517 Q518 K553 | R476-D512 IonicContact CZ-OD1 3.21Å; R476-D512 IonicContact CZ-OD2 3.42Å; R476-D512 IonicContact NE-OD1 3.25Å; R476-D512 IonicContact NE-OD2 2.7Å; R476-D512 PolarHBondContact NE-OD2 3.39Å; R476-D512 IonicContact NH2-OD1 2.77Å; R476-D512 PolarHBondContact NH2-OD1 3.05Å; R476-D512 IonicContact NH2-OD2 3.25Å; R476-D512 PolarHBondContact NH2-OD2 3.39Å; R509-D512 IonicContact CZ-OD2 3.87Å; R509-D512 IonicContact NH1-OD2 3.46Å; R509-D512 PolarHBondContact NH1-OD2 3.29Å; R509-D512 WeakPolarHBondContact O-CB 3.44Å; R509-D512 PolarHBondContact O-N 3.37Å; D512-N514 PolarHBondContact O-N 3.12Å; D512-N514 WeakPolarHBondContact OD1-CB 3.41Å; D512-N514 PolarHBondContact OD1-N 2.79Å; D512-V517 HydrophobicContact CB-CB 3.71Å; D512-V517 HydrophobicContact CB-CG1 3.62Å; D512-V517 VanDerWaalsContact CG-CB 3.46Å; D512-V517 VanDerWaalsContact CG-CG1 3.47Å; D512-V517 WeakPolarHBondContact OD2-CG1 3.42Å; D512-Q518 HydrophobicContact CB-CG 4.45Å; D512-Q518 WeakPolarHBondContact O-CG 3.27Å; D512-Q518 PolarHBondContact O-NE2 2.88Å; D512-K553 WeakPolarHBondContact O-CE 3.37Å; D512-K553 PolarHBondContact O-NZ 3.16Å | ||
| 513 | P | 93 | Very high | 96 | Very high | 46 Ų | 46 | 23.6 Ų | 23.6 | 30% | 0.299 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -67.1 | -7.7 | 176.3 | 28.9 | -38.2 | 0 | 0 | 0 | 115.6 | C349 D350 Q351 | C349-P513 HydrophobicContact CB-CB 4.25Å; D350-P513 PolarHBondContact N-O 2.87Å; Q351-P513 VanDerWaalsContact CB-O 3.26Å; Q351-P513 WeakPolarHBondContact CB-O 3.29Å; Q351-P513 WeakPolarHBondContact CG-O 3.31Å; Q351-P513 PolarHBondContact N-O 3.21Å; Q351-P513 VanDerWaalsContact N-O 3.12Å; Q351-P513 VanDerWaalsContact OE1-CA 3.29Å |
| 514 | N | 92.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -109.5 | 131.6 | 176.6 | 177.8 | -85.2 | 0 | 0 | 0 | 111.4 | N346 E348 D350 V473 D512 K516 V517 Q518 | N346-N514 PolarHBondContact O-ND2 3.12Å; E348-N514 PolarHBondContact O-ND2 2.88Å; D350-N514 VanDerWaalsContact OD1-CA 3.26Å; D350-N514 WeakPolarHBondContact OD1-CA 3.4Å; D350-N514 PolarHBondContact OD1-ND2 3.48Å; V473-N514 HydrophobicContact CG1-CB 4.3Å; V473-N514 VanDerWaalsContact CG1-CG 3.45Å; V473-N514 VanDerWaalsContact CG1-OD1 3.23Å; V473-N514 WeakPolarHBondContact CG1-OD1 3.43Å; V473-N514 HydrophobicContact CG2-CB 3.92Å; D512-N514 PolarHBondContact O-N 3.12Å; D512-N514 WeakPolarHBondContact OD1-CB 3.41Å; D512-N514 PolarHBondContact OD1-N 2.79Å; N514-K516 VanDerWaalsContact C-N 3.34Å; N514-K516 PolarHBondContact O-N 2.74Å; N514-K516 WeakPolarHBondContact OD1-CA 3.37Å; N514-K516 WeakPolarHBondContact OD1-CB 3.43Å; N514-K516 PolarHBondContact OD1-N 2.82Å; N514-V517 HydrophobicContact CB-CG2 4.22Å; N514-V517 PolarHBondContact O-N 2.7Å; N514-V517 PolarHBondContact OD1-N 2.96Å; N514-Q518 WeakPolarHBondContact O-CG 3.43Å; N514-Q518 PolarHBondContact O-N 3.15Å; N514-Q518 VanDerWaalsContact O-N 3.09Å |
| 515 | K | 90.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 19.6 Ų | 19.6 | 8% | 0.083 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -33.1 | -175.9 | -66.9 | 177.5 | -178.8 | -177.5 | 0 | 113.8 | D350 V353 D355 V517 Q518 E519 Q555 N558 | D350-K515 VanDerWaalsContact O-CE 3.25Å; D350-K515 WeakPolarHBondContact O-CE 3.3Å; D350-K515 PolarHBondContact OD1-N 3.38Å; V353-K515 WeakPolarHBondContact O-CE 3.24Å; V353-K515 PolarHBondContact O-NZ 3.1Å; D355-K515 IonicContact OD1-NZ 2.59Å; D355-K515 PolarHBondContact OD1-NZ 3.26Å; K515-V517 VanDerWaalsContact C-N 3.33Å; K515-Q518 WeakPolarHBondContact O-CB 3.32Å; K515-Q518 PolarHBondContact O-N 3.16Å; K515-E519 WeakPolarHBondContact O-CB 3.45Å; K515-E519 PolarHBondContact O-N 3.13Å; K515-Q555 VanDerWaalsContact CE-CD 3.43Å; K515-Q555 VanDerWaalsContact NZ-CD 3.35Å; K515-N558 PolarHBondContact O-ND2 3.08Å |
| 516 | K | 88.6 | Confident | 95.9 | Very high | 25 Ų | 25 | 18 Ų | 18 | 11% | 0.109 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.6 | -173.5 | 179.5 | -179.5 | 56 | 0 | 111.7 | D388 L474 N514 A520 | D388-K516 VanDerWaalsContact CG-NZ 3.28Å; D388-K516 IonicContact OD1-NZ 3.63Å; D388-K516 PolarHBondContact OD1-NZ 2.67Å; D388-K516 IonicContact OD2-NZ 3.65Å; L474-K516 HydrophobicContact CD2-CD 4.01Å; N514-K516 VanDerWaalsContact C-N 3.34Å; N514-K516 PolarHBondContact O-N 2.74Å; N514-K516 WeakPolarHBondContact OD1-CA 3.37Å; N514-K516 WeakPolarHBondContact OD1-CB 3.43Å; N514-K516 PolarHBondContact OD1-N 2.82Å; K516-A520 WeakPolarHBondContact O-CB 3.36Å; K516-A520 PolarHBondContact O-N 2.64Å |
| 517 | V | 94.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.6 | -37.2 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 111 | V473 R476 R509 D512 N514 K515 A521 | V473-V517 HydrophobicContact CG1-CG2 3.97Å; R476-V517 HydrophobicContact CB-CG1 3.97Å; R476-V517 HydrophobicContact CB-CG2 3.96Å; R509-V517 HydrophobicContact CB-CG1 4.12Å; R509-V517 HydrophobicContact CG-CG1 4.31Å; D512-V517 HydrophobicContact CB-CB 3.71Å; D512-V517 HydrophobicContact CB-CG1 3.62Å; D512-V517 VanDerWaalsContact CG-CB 3.46Å; D512-V517 VanDerWaalsContact CG-CG1 3.47Å; D512-V517 WeakPolarHBondContact OD2-CG1 3.42Å; N514-V517 HydrophobicContact CB-CG2 4.22Å; N514-V517 PolarHBondContact O-N 2.7Å; N514-V517 PolarHBondContact OD1-N 2.96Å; K515-V517 VanDerWaalsContact C-N 3.33Å; V517-A521 WeakPolarHBondContact O-CB 3.45Å; V517-A521 PolarHBondContact O-N 2.8Å |
| 518 | Q | 95.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.9 | -52 | 172.5 | -70.7 | 169.5 | 13.4 | 0 | 0 | 111.3 | D512 N514 K515 A521 C522 Y554 N558 | D512-Q518 HydrophobicContact CB-CG 4.45Å; D512-Q518 WeakPolarHBondContact O-CG 3.27Å; D512-Q518 PolarHBondContact O-NE2 2.88Å; N514-Q518 WeakPolarHBondContact O-CG 3.43Å; N514-Q518 PolarHBondContact O-N 3.15Å; N514-Q518 VanDerWaalsContact O-N 3.09Å; K515-Q518 WeakPolarHBondContact O-CB 3.32Å; K515-Q518 PolarHBondContact O-N 3.16Å; Q518-A521 PolarHBondContact O-N 3.32Å; Q518-C522 VanDerWaalsContact O-CB 3.24Å; Q518-C522 WeakPolarHBondContact O-CB 3.48Å; Q518-C522 PolarHBondContact O-N 3.48Å; Q518-Y554 HydrophobicContact CB-CD1 4.44Å; Q518-Y554 HydrophobicContact CB-CE1 3.55Å; Q518-Y554 WeakPolarHBondContact CB-OH 3.06Å; Q518-Y554 HydrophobicContact CG-CD1 4.37Å; Q518-Y554 HydrophobicContact CG-CE1 3.6Å; Q518-Y554 PolarHBondContact O-OH 3Å; Q518-Y554 VanDerWaalsContact O-OH 3.08Å; Q518-N558 WeakPolarHBondContact CB-ND2 3.46Å; Q518-N558 PolarHBondContact OE1-ND2 3.31Å |
| 519 | E | 93.1 | Very high | 95.8 | Very high | 37 Ų | 37 | 14.7 Ų | 14.7 | 17% | 0.173 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -53.8 | -58.8 | 175.5 | 163.4 | 167.9 | -142.2 | 0 | 0 | 111.2 | K515 A521 C522 S523 R557 I561 | K515-E519 WeakPolarHBondContact O-CB 3.45Å; K515-E519 PolarHBondContact O-N 3.13Å; E519-A521 VanDerWaalsContact C-N 3.28Å; E519-A521 PolarHBondContact O-N 3.07Å; E519-C522 PolarHBondContact O-N 2.81Å; E519-C522 VanDerWaalsContact O-N 3.12Å; E519-S523 PolarHBondContact O-N 3.39Å; E519-S523 PolarHBondContact O-OG 3.07Å; E519-R557 VanDerWaalsContact CD-NH2 3.3Å; E519-R557 IonicContact OE1-CZ 3.17Å; E519-R557 IonicContact OE1-NE 2.68Å; E519-R557 PolarHBondContact OE1-NE 3Å; E519-R557 IonicContact OE1-NH2 3.08Å; E519-R557 PolarHBondContact OE1-NH2 2.84Å; E519-R557 IonicContact OE2-CZ 3.84Å; E519-R557 IonicContact OE2-NE 3.9Å; E519-R557 IonicContact OE2-NH2 3.79Å; E519-R557 PolarHBondContact OE2-NH2 3.34Å; E519-R557 VanDerWaalsContact OE2-NH2 3.12Å; E519-I561 HydrophobicContact CB-CD1 4.03Å; E519-I561 HydrophobicContact CG-CD1 3.56Å |
| 520 | A | 94.6 | Very high | 95.8 | Very high | 18 Ų | 18 | 17.6 Ų | 17.6 | 15% | 0.149 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C480 K516 A524 | C480-A520 HydrophobicContact CB-CB 3.9Å; C480-A520 WeakPolarHBondContact CB-O 3.32Å; K516-A520 WeakPolarHBondContact O-CB 3.36Å; K516-A520 PolarHBondContact O-N 2.64Å; A520-A524 WeakPolarHBondContact O-CB 3.36Å; A520-A524 PolarHBondContact O-N 2.9Å; A520-A524 VanDerWaalsContact O-N 3.11Å |
| 521 | A | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.1 | -35.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L506 R509 I510 V517 Q518 E519 L525 | L506-A521 HydrophobicContact CD2-CB 4.46Å; R509-A521 HydrophobicContact CB-CB 3.46Å; R509-A521 VanDerWaalsContact CB-CB 3.46Å; I510-A521 HydrophobicContact CG1-CB 3.9Å; V517-A521 WeakPolarHBondContact O-CB 3.45Å; V517-A521 PolarHBondContact O-N 2.8Å; Q518-A521 PolarHBondContact O-N 3.32Å; E519-A521 VanDerWaalsContact C-N 3.28Å; E519-A521 PolarHBondContact O-N 3.07Å; A521-L525 WeakPolarHBondContact O-CB 3.47Å; A521-L525 PolarHBondContact O-N 2.75Å |
| 522 | C | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.7 | -46.7 | 178.4 | -157.9 | 0 | 0 | 0 | 0 | 110.9 | I510 Q518 E519 A524 L525 A526 Y554 I561 | I510-C522 HydrophobicContact CG1-CB 4.29Å; Q518-C522 VanDerWaalsContact O-CB 3.24Å; Q518-C522 WeakPolarHBondContact O-CB 3.48Å; Q518-C522 PolarHBondContact O-N 3.48Å; E519-C522 PolarHBondContact O-N 2.81Å; E519-C522 VanDerWaalsContact O-N 3.12Å; C522-A524 VanDerWaalsContact C-N 3.32Å; C522-A524 PolarHBondContact O-N 3Å; C522-L525 WeakPolarHBondContact O-CB 3.42Å; C522-L525 PolarHBondContact O-N 3.09Å; C522-L525 VanDerWaalsContact O-N 3.16Å; C522-A526 PolarHBondContact O-N 3.25Å; C522-Y554 HydrophobicContact CB-CE2 4.37Å; C522-I561 HydrophobicContact CB-CG2 3.86Å |
| 523 | S | 96.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 21.5 Ų | 21.5 | 27% | 0.266 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 173.6 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | E519 L525 A526 T527 I561 | E519-S523 PolarHBondContact O-N 3.39Å; E519-S523 PolarHBondContact O-OG 3.07Å; S523-L525 VanDerWaalsContact C-N 3.3Å; S523-L525 PolarHBondContact O-N 3.01Å; S523-A526 PolarHBondContact O-N 2.96Å; S523-T527 PolarHBondContact O-N 3.18Å; S523-T527 VanDerWaalsContact O-N 3.09Å; S523-T527 PolarHBondContact O-OG1 3.43Å; S523-I561 WeakPolarHBondContact OG-CG2 3.27Å |
| 524 | A | 98 | Very high | 96 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.2 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C480 L506 A520 C522 L528 | C480-A524 HydrophobicContact CB-CB 4.34Å; C480-A524 WeakPolarHBondContact O-CB 3.46Å; L506-A524 HydrophobicContact CD2-CB 3.62Å; A520-A524 WeakPolarHBondContact O-CB 3.36Å; A520-A524 PolarHBondContact O-N 2.9Å; A520-A524 VanDerWaalsContact O-N 3.11Å; C522-A524 VanDerWaalsContact C-N 3.32Å; C522-A524 PolarHBondContact O-N 3Å; A524-L528 WeakPolarHBondContact O-CB 3.41Å; A524-L528 PolarHBondContact O-N 3.04Å |
| 525 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.6 | -45.6 | 171.7 | 177.6 | 67.4 | 0 | 0 | 0 | 111 | L503 L507 I510 A521 C522 S523 T527 L528 E529 L547 | L503-L525 HydrophobicContact CD1-CD1 3.79Å; L507-L525 HydrophobicContact CD2-CD1 4.36Å; L507-L525 HydrophobicContact CD2-CD2 4.12Å; I510-L525 HydrophobicContact CD1-CB 3.74Å; I510-L525 HydrophobicContact CD1-CD2 3.23Å; I510-L525 HydrophobicContact CD1-CG 4.07Å; A521-L525 WeakPolarHBondContact O-CB 3.47Å; A521-L525 PolarHBondContact O-N 2.75Å; C522-L525 WeakPolarHBondContact O-CB 3.42Å; C522-L525 PolarHBondContact O-N 3.09Å; C522-L525 VanDerWaalsContact O-N 3.16Å; S523-L525 VanDerWaalsContact C-N 3.3Å; S523-L525 PolarHBondContact O-N 3.01Å; L525-T527 VanDerWaalsContact C-N 3.33Å; L525-T527 PolarHBondContact O-N 3.17Å; L525-L528 CarbonylContact O-C 3.58Å; L525-L528 WeakPolarHBondContact O-CA 3.49Å; L525-L528 WeakPolarHBondContact O-CB 3.41Å; L525-L528 PolarHBondContact O-N 2.97Å; L525-E529 HydrophobicContact CD1-CG 4.12Å; L525-E529 WeakPolarHBondContact CD2-OE1 3.45Å; L525-E529 HydrophobicContact CG-CG 4.13Å; L525-E529 WeakPolarHBondContact CG-OE1 3.49Å; L525-E529 VanDerWaalsContact O-CG 3.3Å; L525-E529 WeakPolarHBondContact O-CG 3.44Å; L525-E529 PolarHBondContact O-N 3.32Å; L525-L547 HydrophobicContact CD2-CD2 4.05Å |
| 526 | A | 97.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C522 S523 L528 E529 E530 A565 T568 | C522-A526 PolarHBondContact O-N 3.25Å; S523-A526 PolarHBondContact O-N 2.96Å; A526-L528 VanDerWaalsContact C-N 3.33Å; A526-L528 PolarHBondContact O-N 3.01Å; A526-E529 WeakPolarHBondContact O-CB 3.46Å; A526-E529 PolarHBondContact O-N 3.35Å; A526-E529 VanDerWaalsContact O-N 3.1Å; A526-E530 PolarHBondContact O-N 3.33Å; A526-A565 HydrophobicContact CB-CB 4.17Å; A526-T568 WeakPolarHBondContact O-CG2 3.38Å |
| 527 | T | 97.6 | Very high | 97 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 173.7 | -49.7 | 0 | 0 | 0 | 0 | 112.4 | C487 S523 L525 E529 E531 | C487-T527 HydrophobicContact CB-CG2 4.23Å; S523-T527 PolarHBondContact O-N 3.18Å; S523-T527 VanDerWaalsContact O-N 3.09Å; S523-T527 PolarHBondContact O-OG1 3.43Å; L525-T527 VanDerWaalsContact C-N 3.33Å; L525-T527 PolarHBondContact O-N 3.17Å; T527-E529 VanDerWaalsContact C-N 3.32Å; T527-E531 WeakPolarHBondContact O-CG 3.26Å; T527-E531 PolarHBondContact O-N 3.3Å |
| 528 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -35.8 | 176.1 | -176.2 | 63.2 | 0 | 0 | 0 | 111.7 | C487 I491 F499 L502 L503 L506 A524 L525 A526 A532 | C487-L528 HydrophobicContact CB-CD1 4.19Å; I491-L528 HydrophobicContact CD1-CD1 4.08Å; I491-L528 HydrophobicContact CG1-CD1 4.47Å; F499-L528 HydrophobicContact CD2-CD1 4.06Å; F499-L528 HydrophobicContact CE2-CD1 3.91Å; F499-L528 HydrophobicContact CE2-CD2 4.18Å; F499-L528 HydrophobicContact CE2-CG 4.16Å; L502-L528 HydrophobicContact CD2-CD1 4.31Å; L502-L528 HydrophobicContact CD2-CD2 4.44Å; L502-L528 HydrophobicContact CG-CD2 4.35Å; L503-L528 HydrophobicContact CB-CD2 4.12Å; L503-L528 HydrophobicContact CD1-CD2 4.05Å; L506-L528 HydrophobicContact CD1-CB 4.35Å; L506-L528 HydrophobicContact CD1-CD2 3.73Å; A524-L528 WeakPolarHBondContact O-CB 3.41Å; A524-L528 PolarHBondContact O-N 3.04Å; L525-L528 CarbonylContact O-C 3.58Å; L525-L528 WeakPolarHBondContact O-CA 3.49Å; L525-L528 WeakPolarHBondContact O-CB 3.41Å; L525-L528 PolarHBondContact O-N 2.97Å; A526-L528 VanDerWaalsContact C-N 3.33Å; A526-L528 PolarHBondContact O-N 3.01Å; L528-A532 WeakPolarHBondContact O-CB 3.44Å; L528-A532 PolarHBondContact O-N 3.34Å |
| 529 | E | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 179 | -72.7 | 167 | 162.5 | 0 | 0 | 111.8 | L525 A526 T527 E531 A532 C533 L536 T568 L569 S572 | L525-E529 HydrophobicContact CD1-CG 4.12Å; L525-E529 WeakPolarHBondContact CD2-OE1 3.45Å; L525-E529 HydrophobicContact CG-CG 4.13Å; L525-E529 WeakPolarHBondContact CG-OE1 3.49Å; L525-E529 VanDerWaalsContact O-CG 3.3Å; L525-E529 WeakPolarHBondContact O-CG 3.44Å; L525-E529 PolarHBondContact O-N 3.32Å; A526-E529 WeakPolarHBondContact O-CB 3.46Å; A526-E529 PolarHBondContact O-N 3.35Å; A526-E529 VanDerWaalsContact O-N 3.1Å; T527-E529 VanDerWaalsContact C-N 3.32Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 3.21Å; E529-A532 PolarHBondContact O-N 2.98Å; E529-C533 PolarHBondContact O-N 3.27Å; E529-L536 HydrophobicContact CB-CD1 3.85Å; E529-L536 HydrophobicContact CG-CD1 3.61Å; E529-T568 HydrophobicContact CB-CG2 4.15Å; E529-L569 HydrophobicContact CG-CD1 4.15Å; E529-L569 PolarHBondContact OE2-N 3.16Å; E529-S572 VanDerWaalsContact C-OG 3.3Å; E529-S572 WeakPolarHBondContact O-CB 3.1Å; E529-S572 PolarHBondContact O-OG 2.99Å; E529-S572 VanDerWaalsContact O-OG 3.11Å |
| 530 | E | 97 | Very high | 97.6 | Very high | 101 Ų | 101 | 30.9 Ų | 30.9 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 176.1 | -172.6 | 178.3 | -178.3 | 0 | 0 | 111.8 | A526 C533 T568 | A526-E530 PolarHBondContact O-N 3.33Å; E530-C533 PolarHBondContact O-SG 3.28Å; E530-T568 HydrophobicContact CB-CG2 4.01Å |
| 531 | E | 97.2 | Very high | 97.8 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.4 | -38.7 | -179.9 | -70.7 | -68.6 | 179.9 | 0 | 0 | 113 | C487 Y488 I491 T527 E529 | C487-E531 HydrophobicContact CB-CB 4.27Å; C487-E531 HydrophobicContact CB-CG 4Å; Y488-E531 WeakPolarHBondContact CD2-OE2 3.42Å; I491-E531 HydrophobicContact CG1-CB 4Å; T527-E531 WeakPolarHBondContact O-CG 3.26Å; T527-E531 PolarHBondContact O-N 3.3Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 3.21Å |
| 532 | A | 97.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -79.9 | -32 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | I491 F499 L528 E529 M534 A535 L536 | I491-A532 HydrophobicContact CD1-CB 3.67Å; I491-A532 HydrophobicContact CG1-CB 4.28Å; F499-A532 HydrophobicContact CE2-CB 3.83Å; F499-A532 HydrophobicContact CZ-CB 4.05Å; L528-A532 WeakPolarHBondContact O-CB 3.44Å; L528-A532 PolarHBondContact O-N 3.34Å; E529-A532 PolarHBondContact O-N 2.98Å; A532-M534 PolarHBondContact O-N 3.18Å; A532-M534 VanDerWaalsContact O-N 3.15Å; A532-A535 HydrophobicContact CB-CB 4.34Å; A532-A535 VanDerWaalsContact O-CB 3.22Å; A532-A535 WeakPolarHBondContact O-CB 3.47Å; A532-A535 PolarHBondContact O-N 3.2Å; A532-L536 HydrophobicContact CB-CD1 4.13Å; A532-L536 HydrophobicContact CB-CD2 3.98Å; A532-L536 HydrophobicContact CB-CG 3.7Å |
| 533 | C | 96.5 | Very high | 97.8 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 38% | 0.378 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | 45.2 | -119.5 | -179.2 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | E529 E530 A535 L536 | E529-C533 PolarHBondContact O-N 3.27Å; E530-C533 PolarHBondContact O-SG 3.28Å; C533-A535 PolarHBondContact O-N 3.36Å; C533-A535 VanDerWaalsContact O-N 3.08Å; C533-L536 WeakPolarHBondContact O-CB 3.25Å; C533-L536 PolarHBondContact O-N 3.44Å; C533-L536 VanDerWaalsContact O-N 3.15Å |
| 534 | M | 97.4 | Very high | 97.9 | Very high | 100 Ų | 100 | 36.9 Ų | 36.9 | 49% | 0.493 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -61.9 | -17.7 | -178.6 | -60.8 | -66 | 101.8 | 0 | 0 | 114.5 | A532 L536 V537 S572 Y576 | A532-M534 PolarHBondContact O-N 3.18Å; A532-M534 VanDerWaalsContact O-N 3.15Å; M534-L536 PolarHBondContact O-N 3Å; M534-V537 WeakPolarHBondContact O-CG2 3.2Å; M534-V537 PolarHBondContact O-N 2.86Å; M534-S572 WeakPolarHBondContact CE-O 3.45Å; M534-Y576 HydrophobicContact SD-CD2 4.15Å; M534-Y576 HydrophobicContact SD-CE2 3.76Å |
| 535 | A | 97.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -67.1 | -15.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F499 A532 C533 P538 | F499-A535 HydrophobicContact CZ-CB 4.47Å; A532-A535 HydrophobicContact CB-CB 4.34Å; A532-A535 VanDerWaalsContact O-CB 3.22Å; A532-A535 WeakPolarHBondContact O-CB 3.47Å; A532-A535 PolarHBondContact O-N 3.2Å; C533-A535 PolarHBondContact O-N 3.36Å; C533-A535 VanDerWaalsContact O-N 3.08Å; A535-P538 WeakPolarHBondContact O-CD 3.29Å |
| 536 | L | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -82.5 | -17.4 | 177.6 | -65.9 | 173.1 | 0 | 0 | 0 | 114.7 | F499 L503 E529 A532 C533 M534 P538 Y539 L540 I543 L569 V573 | F499-L536 HydrophobicContact CE2-CD2 4.31Å; F499-L536 HydrophobicContact CZ-CD2 3.77Å; L503-L536 HydrophobicContact CD1-CD2 4.29Å; L503-L536 HydrophobicContact CD2-CD2 4.12Å; E529-L536 HydrophobicContact CB-CD1 3.85Å; E529-L536 HydrophobicContact CG-CD1 3.61Å; A532-L536 HydrophobicContact CB-CD1 4.13Å; A532-L536 HydrophobicContact CB-CD2 3.98Å; A532-L536 HydrophobicContact CB-CG 3.7Å; C533-L536 WeakPolarHBondContact O-CB 3.25Å; C533-L536 PolarHBondContact O-N 3.44Å; C533-L536 VanDerWaalsContact O-N 3.15Å; M534-L536 PolarHBondContact O-N 3Å; L536-P538 VanDerWaalsContact C-N 3.28Å; L536-P538 VanDerWaalsContact O-N 3.14Å; L536-Y539 CarbonylContact O-C 3.58Å; L536-Y539 WeakPolarHBondContact O-CA 3.29Å; L536-Y539 PolarHBondContact O-N 2.9Å; L536-L540 PolarHBondContact O-N 2.75Å; L536-I543 HydrophobicContact CB-CD1 4.1Å; L536-I543 HydrophobicContact CD2-CD1 3.79Å; L536-I543 HydrophobicContact CG-CD1 4.37Å; L536-L569 HydrophobicContact CD1-CD1 4.11Å; L536-V573 HydrophobicContact CB-CG1 4.11Å |
| 537 | V | 98.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -49.6 | -42.3 | -176.5 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | M534 Y539 L540 Y576 | M534-V537 WeakPolarHBondContact O-CG2 3.2Å; M534-V537 PolarHBondContact O-N 2.86Å; V537-Y539 PolarHBondContact O-N 3.3Å; V537-L540 HydrophobicContact CG1-CD1 4.49Å; V537-Y576 HydrophobicContact CG1-CD1 3.6Å; V537-Y576 HydrophobicContact CG1-CE1 3.79Å; V537-Y576 HydrophobicContact CG1-CG 4.05Å; V537-Y576 HydrophobicContact CG2-CD1 4.09Å; V537-Y576 HydrophobicContact CG2-CD2 3.63Å; V537-Y576 HydrophobicContact CG2-CE1 4.36Å; V537-Y576 HydrophobicContact CG2-CE2 3.94Å; V537-Y576 HydrophobicContact CG2-CG 3.72Å |
| 538 | P | 98.1 | Very high | 97.9 | Very high | 102 Ų | 102 | 41.6 Ų | 41.6 | 66% | 0.662 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -66.7 | -16.1 | 177 | -21 | 35 | 0 | 0 | 0 | 115.4 | A535 L536 | A535-P538 WeakPolarHBondContact O-CD 3.29Å; L536-P538 VanDerWaalsContact C-N 3.28Å; L536-P538 VanDerWaalsContact O-N 3.14Å |
| 539 | Y | 98.4 | Very high | 97.8 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -110.1 | 2.4 | -173.8 | -55.7 | -84.4 | 0 | 0 | 0 | 113 | F499 E500 L503 L536 V537 D541 E542 I543 | F499-Y539 HydrophobicContact CD1-CE2 4.47Å; F499-Y539 HydrophobicContact CE1-CD2 4.2Å; F499-Y539 AromaticContact CE1-CE2 3.72Å; F499-Y539 HydrophobicContact CE1-CE2 3.72Å; E500-Y539 HydrophobicContact CB-CE1 4.39Å; E500-Y539 HydrophobicContact CG-CE1 3.9Å; E500-Y539 PolarHBondContact OE2-OH 3.16Å; L503-Y539 HydrophobicContact CD2-CD1 3.91Å; L503-Y539 HydrophobicContact CD2-CD2 3.96Å; L503-Y539 HydrophobicContact CD2-CG 3.56Å; L536-Y539 CarbonylContact O-C 3.58Å; L536-Y539 WeakPolarHBondContact O-CA 3.29Å; L536-Y539 PolarHBondContact O-N 2.9Å; V537-Y539 PolarHBondContact O-N 3.3Å; Y539-D541 VanDerWaalsContact C-N 3.27Å; Y539-D541 PolarHBondContact O-N 3.24Å; Y539-E542 PolarHBondContact O-N 2.76Å; Y539-I543 WeakPolarHBondContact O-CG1 3.41Å; Y539-I543 PolarHBondContact O-N 3.06Å |
| 540 | L | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.6 | -37.9 | -175.3 | -76 | 175.5 | 0 | 0 | 0 | 113.7 | L536 V537 E542 I543 V544 L569 V573 L577 Y582 | L536-L540 PolarHBondContact O-N 2.75Å; V537-L540 HydrophobicContact CG1-CD1 4.49Å; L540-E542 VanDerWaalsContact C-N 3.29Å; L540-E542 PolarHBondContact O-N 2.8Å; L540-I543 PolarHBondContact O-N 3.45Å; L540-V544 VanDerWaalsContact O-CB 3.29Å; L540-V544 WeakPolarHBondContact O-CB 3.12Å; L540-V544 VanDerWaalsContact O-CG2 3.26Å; L540-V544 WeakPolarHBondContact O-CG2 3.26Å; L540-V544 PolarHBondContact O-N 3.01Å; L540-L569 HydrophobicContact CD2-CD1 3.98Å; L540-L569 HydrophobicContact CD2-CD2 4.46Å; L540-V573 HydrophobicContact CD1-CG2 4.38Å; L540-V573 HydrophobicContact CD2-CG1 4.15Å; L540-V573 HydrophobicContact CD2-CG2 4.03Å; L540-L577 HydrophobicContact CD2-CD2 4.34Å; L540-Y582 HydrophobicContact CB-CE1 4.44Å; L540-Y582 HydrophobicContact CB-CE2 3.99Å; L540-Y582 HydrophobicContact CD1-CE2 4.04Å |
| 541 | D | 98.2 | Very high | 97.7 | Very high | 108 Ų | 108 | 40.1 Ų | 40.1 | 58% | 0.578 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -57 | -44.9 | 176.5 | -69.2 | -10.7 | 0 | 0 | 0 | 111.5 | Y539 Q545 Y582 | Y539-D541 VanDerWaalsContact C-N 3.27Å; Y539-D541 PolarHBondContact O-N 3.24Å; D541-Q545 VanDerWaalsContact O-CB 3.28Å; D541-Q545 WeakPolarHBondContact O-CB 3.17Å; D541-Q545 PolarHBondContact O-N 3.05Å; D541-Q545 VanDerWaalsContact O-N 3.16Å; D541-Y582 WeakPolarHBondContact OD1-CE1 3.44Å; D541-Y582 VanDerWaalsContact OD1-CZ 3.24Å; D541-Y582 PolarHBondContact OD1-OH 3.44Å |
| 542 | E | 98.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 46 Ų | 46 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.8 | -41.6 | -178.3 | -55.5 | -169.2 | -137.2 | 0 | 0 | 111.6 | R504 L507 Y539 L540 A546 | R504-E542 IonicContact CZ-OE1 3.85Å; R504-E542 IonicContact CZ-OE2 3.1Å; R504-E542 IonicContact NH1-OE1 3.84Å; R504-E542 PolarHBondContact NH1-OE1 2.87Å; R504-E542 IonicContact NH1-OE2 2.8Å; R504-E542 PolarHBondContact NH1-OE2 3.44Å; R504-E542 IonicContact NH2-OE1 2.57Å; R504-E542 PolarHBondContact NH2-OE1 3.48Å; L507-E542 HydrophobicContact CD1-CB 3.83Å; Y539-E542 PolarHBondContact O-N 2.76Å; L540-E542 VanDerWaalsContact C-N 3.29Å; L540-E542 PolarHBondContact O-N 2.8Å; E542-A546 WeakPolarHBondContact O-CB 3.47Å; E542-A546 PolarHBondContact O-N 3.46Å |
| 543 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -53.2 | -179.9 | -62.8 | 164.9 | 0 | 0 | 0 | 109.9 | L503 L507 L536 Y539 L540 Q545 A546 L547 L569 | L503-I543 HydrophobicContact CD1-CD1 4.31Å; L503-I543 HydrophobicContact CD1-CG1 4.23Å; L503-I543 HydrophobicContact CD2-CD1 4.4Å; L507-I543 HydrophobicContact CD1-CG1 4.21Å; L507-I543 HydrophobicContact CD2-CB 4.44Å; L507-I543 HydrophobicContact CD2-CG1 4.15Å; L536-I543 HydrophobicContact CB-CD1 4.1Å; L536-I543 HydrophobicContact CD2-CD1 3.79Å; L536-I543 HydrophobicContact CG-CD1 4.37Å; Y539-I543 WeakPolarHBondContact O-CG1 3.41Å; Y539-I543 PolarHBondContact O-N 3.06Å; L540-I543 PolarHBondContact O-N 3.45Å; I543-Q545 VanDerWaalsContact C-N 3.29Å; I543-Q545 PolarHBondContact O-N 3.4Å; I543-A546 PolarHBondContact O-N 3.08Å; I543-A546 VanDerWaalsContact O-N 3.12Å; I543-L547 HydrophobicContact CG2-CD1 3.78Å; I543-L547 HydrophobicContact CG2-CG 4.29Å; I543-L547 WeakPolarHBondContact O-CG 3.4Å; I543-L547 PolarHBondContact O-N 3.36Å; I543-L569 HydrophobicContact CG2-CD1 4.18Å; I543-L569 HydrophobicContact CG2-CD2 3.75Å |
| 544 | V | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L540 L547 C548 L577 Y582 L586 | L540-V544 VanDerWaalsContact O-CB 3.29Å; L540-V544 WeakPolarHBondContact O-CB 3.12Å; L540-V544 VanDerWaalsContact O-CG2 3.26Å; L540-V544 WeakPolarHBondContact O-CG2 3.26Å; L540-V544 PolarHBondContact O-N 3.01Å; V544-L547 PolarHBondContact O-N 3.4Å; V544-C548 WeakPolarHBondContact O-CB 3.12Å; V544-C548 PolarHBondContact O-N 2.85Å; V544-C548 PolarHBondContact O-SG 3.16Å; V544-L577 HydrophobicContact CG2-CD2 4.27Å; V544-Y582 HydrophobicContact CB-CD1 4.29Å; V544-Y582 HydrophobicContact CG1-CD1 4.27Å; V544-Y582 HydrophobicContact CG2-CD1 4.06Å; V544-Y582 HydrophobicContact CG2-CG 4.25Å; V544-L586 HydrophobicContact CG1-CD1 4.28Å; V544-L586 HydrophobicContact CG1-CD2 4.19Å; V544-L586 HydrophobicContact CG1-CG 3.92Å; V544-L586 HydrophobicContact CG2-CD1 4.3Å |
| 545 | Q | 98 | Very high | 96.7 | Very high | 119 Ų | 119 | 43.2 Ų | 43.2 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -60 | -48.1 | 175.7 | -176.6 | -178.1 | -15.4 | 0 | 0 | 111.6 | D541 I543 C548 E549 | D541-Q545 VanDerWaalsContact O-CB 3.28Å; D541-Q545 WeakPolarHBondContact O-CB 3.17Å; D541-Q545 PolarHBondContact O-N 3.05Å; D541-Q545 VanDerWaalsContact O-N 3.16Å; I543-Q545 VanDerWaalsContact C-N 3.29Å; I543-Q545 PolarHBondContact O-N 3.4Å; Q545-C548 PolarHBondContact O-N 3.06Å; Q545-E549 PolarHBondContact NE2-OE1 3.42Å; Q545-E549 WeakPolarHBondContact O-CG 3.47Å; Q545-E549 PolarHBondContact O-N 3.48Å |
| 546 | A | 98.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L507 E542 I543 C548 E549 A550 | L507-A546 HydrophobicContact CB-CB 4.14Å; L507-A546 HydrophobicContact CD2-CB 3.83Å; L507-A546 HydrophobicContact CG-CB 4.43Å; E542-A546 WeakPolarHBondContact O-CB 3.47Å; E542-A546 PolarHBondContact O-N 3.46Å; I543-A546 PolarHBondContact O-N 3.08Å; I543-A546 VanDerWaalsContact O-N 3.12Å; A546-C548 PolarHBondContact O-N 3.26Å; A546-E549 PolarHBondContact O-N 2.77Å; A546-A550 WeakPolarHBondContact O-CB 3.37Å; A546-A550 PolarHBondContact O-N 2.95Å |
| 547 | L | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.7 | -65.8 | 171.5 | 0 | 0 | 0 | 111.5 | L525 I543 V544 E549 A550 A551 L562 A565 I566 L569 | L525-L547 HydrophobicContact CD2-CD2 4.05Å; I543-L547 HydrophobicContact CG2-CD1 3.78Å; I543-L547 HydrophobicContact CG2-CG 4.29Å; I543-L547 WeakPolarHBondContact O-CG 3.4Å; I543-L547 PolarHBondContact O-N 3.36Å; V544-L547 PolarHBondContact O-N 3.4Å; L547-E549 PolarHBondContact O-N 3.41Å; L547-A550 WeakPolarHBondContact O-CB 3.37Å; L547-A550 PolarHBondContact O-N 3.49Å; L547-A551 WeakPolarHBondContact O-CB 3.43Å; L547-A551 PolarHBondContact O-N 3.05Å; L547-L562 HydrophobicContact CB-CD1 4.38Å; L547-L562 HydrophobicContact CD2-CD1 3.5Å; L547-A565 HydrophobicContact CD2-CB 4.39Å; L547-I566 HydrophobicContact CB-CG1 4.33Å; L547-I566 HydrophobicContact CD1-CG1 4.01Å; L547-I566 HydrophobicContact CD2-CG1 4.36Å; L547-I566 HydrophobicContact CG-CG1 4.47Å; L547-L569 HydrophobicContact CD1-CD2 3.74Å |
| 548 | C | 97.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 175.2 | -74.9 | 0 | 0 | 0 | 0 | 113.1 | V544 Q545 A546 R552 S585 | V544-C548 WeakPolarHBondContact O-CB 3.12Å; V544-C548 PolarHBondContact O-N 2.85Å; V544-C548 PolarHBondContact O-SG 3.16Å; Q545-C548 PolarHBondContact O-N 3.06Å; A546-C548 PolarHBondContact O-N 3.26Å; C548-R552 PolarHBondContact O-NE 2.97Å; C548-S585 VanDerWaalsContact SG-C 3.6Å; C548-S585 PolarHBondContact SG-O 3.28Å; C548-S585 VanDerWaalsContact SG-O 3.33Å |
| 549 | E | 97.1 | Very high | 95 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71.7 | -40.4 | 175.1 | -73.7 | -178.7 | -162 | 0 | 0 | 111.5 | L511 Q545 A546 L547 A551 R552 K553 | L511-E549 HydrophobicContact CD1-CB 4.19Å; L511-E549 WeakPolarHBondContact CD1-OE2 2.91Å; L511-E549 HydrophobicContact CD2-CB 3.68Å; Q545-E549 PolarHBondContact NE2-OE1 3.42Å; Q545-E549 WeakPolarHBondContact O-CG 3.47Å; Q545-E549 PolarHBondContact O-N 3.48Å; A546-E549 PolarHBondContact O-N 2.77Å; L547-E549 PolarHBondContact O-N 3.41Å; E549-A551 VanDerWaalsContact C-N 3.33Å; E549-A551 PolarHBondContact O-N 3.18Å; E549-R552 PolarHBondContact O-N 2.88Å; E549-K553 PolarHBondContact O-N 3.24Å |
| 550 | A | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I510 L511 A546 L547 R552 K553 Y554 L562 | I510-A550 HydrophobicContact CG2-CB 3.44Å; I510-A550 VanDerWaalsContact CG2-CB 3.44Å; L511-A550 HydrophobicContact CD2-CB 4.14Å; A546-A550 WeakPolarHBondContact O-CB 3.37Å; A546-A550 PolarHBondContact O-N 2.95Å; L547-A550 WeakPolarHBondContact O-CB 3.37Å; L547-A550 PolarHBondContact O-N 3.49Å; A550-R552 PolarHBondContact O-N 2.92Å; A550-R552 VanDerWaalsContact O-N 3.11Å; A550-K553 CarbonylContact O-C 3.6Å; A550-K553 WeakPolarHBondContact O-CA 3.16Å; A550-K553 WeakPolarHBondContact O-CB 3.42Å; A550-K553 PolarHBondContact O-N 3.29Å; A550-Y554 HydrophobicContact CB-CD1 4.27Å; A550-Y554 HydrophobicContact CB-CE1 3.97Å; A550-Y554 HydrophobicContact CB-CE2 4.31Å; A550-Y554 WeakPolarHBondContact O-CB 3.37Å; A550-Y554 WeakPolarHBondContact O-CD1 3.16Å; A550-Y554 PolarHBondContact O-N 3.16Å; A550-L562 HydrophobicContact CB-CD1 3.92Å; A550-L562 HydrophobicContact CB-CD2 4.09Å |
| 551 | A | 94.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -26.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L547 E549 I559 L562 M589 K593 | L547-A551 WeakPolarHBondContact O-CB 3.43Å; L547-A551 PolarHBondContact O-N 3.05Å; E549-A551 VanDerWaalsContact C-N 3.33Å; E549-A551 PolarHBondContact O-N 3.18Å; A551-I559 HydrophobicContact CB-CD1 4.41Å; A551-L562 HydrophobicContact CB-CD2 3.53Å; A551-L562 VanDerWaalsContact N-CD2 3.34Å; A551-M589 HydrophobicContact CB-CE 3.4Å; A551-M589 VanDerWaalsContact CB-CE 3.4Å; A551-M589 HydrophobicContact CB-CG 3.75Å; A551-M589 HydrophobicContact CB-SD 3.38Å; A551-M589 WeakPolarHBondContact CB-SD 3.4Å; A551-K593 WeakPolarHBondContact O-CE 3.5Å; A551-K593 PolarHBondContact O-NZ 3.03Å |
| 552 | R | 92.7 | Very high | 94.2 | Very high | 190 Ų | 190 | 36.1 Ų | 36.1 | 72% | 0.717 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -82.7 | -20.5 | 175.4 | -62.1 | 177.3 | -142.6 | 151.6 | 5 | 112.5 | C548 E549 A550 | C548-R552 PolarHBondContact O-NE 2.97Å; E549-R552 PolarHBondContact O-N 2.88Å; A550-R552 PolarHBondContact O-N 2.92Å; A550-R552 VanDerWaalsContact O-N 3.11Å |
| 553 | K | 92.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 33.2 Ų | 33.2 | 21% | 0.213 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -100.2 | -36.8 | -173.9 | -171.5 | -178.6 | -174.1 | 179 | 0 | 112.6 | L511 D512 E549 A550 | L511-K553 PolarHBondContact O-NZ 3.22Å; D512-K553 WeakPolarHBondContact O-CE 3.37Å; D512-K553 PolarHBondContact O-NZ 3.16Å; E549-K553 PolarHBondContact O-N 3.24Å; A550-K553 CarbonylContact O-C 3.6Å; A550-K553 WeakPolarHBondContact O-CA 3.16Å; A550-K553 WeakPolarHBondContact O-CB 3.42Å; A550-K553 PolarHBondContact O-N 3.29Å |
| 554 | Y | 93.6 | Very high | 93.9 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 6% | 0.059 | 18% | 0.177 | C | C | . | . | trans | -67.1 | 141.8 | -173.5 | -78.3 | 13.2 | 0 | 0 | 0 | 111.3 | I510 Q518 C522 A550 N558 L562 | I510-Y554 WeakPolarHBondContact CG2-OH 3.24Å; I510-Y554 WeakPolarHBondContact O-CE1 3.5Å; I510-Y554 PolarHBondContact O-OH 2.91Å; Q518-Y554 HydrophobicContact CB-CD1 4.44Å; Q518-Y554 HydrophobicContact CB-CE1 3.55Å; Q518-Y554 WeakPolarHBondContact CB-OH 3.06Å; Q518-Y554 HydrophobicContact CG-CD1 4.37Å; Q518-Y554 HydrophobicContact CG-CE1 3.6Å; Q518-Y554 PolarHBondContact O-OH 3Å; Q518-Y554 VanDerWaalsContact O-OH 3.08Å; C522-Y554 HydrophobicContact CB-CE2 4.37Å; A550-Y554 HydrophobicContact CB-CD1 4.27Å; A550-Y554 HydrophobicContact CB-CE1 3.97Å; A550-Y554 HydrophobicContact CB-CE2 4.31Å; A550-Y554 WeakPolarHBondContact O-CB 3.37Å; A550-Y554 WeakPolarHBondContact O-CD1 3.16Å; A550-Y554 PolarHBondContact O-N 3.16Å; Y554-N558 HydrophobicContact CD1-CB 4.27Å; Y554-N558 VanDerWaalsContact CD2-C 3.44Å; Y554-N558 HydrophobicContact CD2-CB 3.5Å; Y554-N558 WeakPolarHBondContact CD2-O 3.31Å; Y554-N558 HydrophobicContact CE2-CB 3.88Å; Y554-N558 WeakPolarHBondContact CE2-O 3.28Å; Y554-N558 HydrophobicContact CG-CB 3.69Å; Y554-L562 HydrophobicContact CD2-CB 3.77Å; Y554-L562 HydrophobicContact CD2-CD2 4.04Å; Y554-L562 HydrophobicContact CD2-CG 4.36Å; Y554-L562 HydrophobicContact CE2-CB 3.93Å; Y554-L562 HydrophobicContact CE2-CD1 4.28Å; Y554-L562 HydrophobicContact CE2-CG 4.48Å | ||
| 555 | Q | 89.9 | Confident | 93.9 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | trans | -92.5 | -177.9 | 170.3 | -59.6 | -166.9 | 5.6 | 0 | 0 | 110.3 | Q351 V353 D355 K515 R557 N558 I559 | Q351-Q555 PolarHBondContact O-NE2 3.06Å; V353-Q555 PolarHBondContact O-NE2 2.91Å; V353-Q555 PolarHBondContact O-OE1 2.96Å; D355-Q555 PolarHBondContact OD1-OE1 3.07Å; D355-Q555 VanDerWaalsContact OD2-C 3.3Å; D355-Q555 WeakPolarHBondContact OD2-CB 3.47Å; K515-Q555 VanDerWaalsContact CE-CD 3.43Å; K515-Q555 VanDerWaalsContact NZ-CD 3.35Å; Q555-R557 VanDerWaalsContact C-N 3.29Å; Q555-R557 PolarHBondContact O-N 3.25Å; Q555-N558 PolarHBondContact O-N 3.2Å; Q555-I559 WeakPolarHBondContact O-CB 3.28Å; Q555-I559 PolarHBondContact O-N 3.24Å | ||
| 556 | A | 85.9 | Confident | 93.9 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 26% | 0.256 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -57 | -34.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D355 I360 I559 | D355-A556 WeakPolarHBondContact OD2-CA 3.22Å; D355-A556 PolarHBondContact OD2-N 2.63Å; I360-A556 HydrophobicContact CD1-CB 3.71Å; I360-A556 HydrophobicContact CG1-CB 3.84Å; I360-A556 HydrophobicContact CG2-CB 4.01Å; A556-I559 VanDerWaalsContact O-CG2 3.3Å; A556-I559 WeakPolarHBondContact O-CG2 3.25Å |
| 557 | R | 84.6 | Confident | 93.9 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 22% | 0.223 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.5 | -58.7 | 175.4 | 178.9 | 178.4 | 169.2 | 174.5 | 2.9 | 111.7 | D355 E519 Q555 I559 L560 | D355-R557 PolarHBondContact OD2-N 3.41Å; E519-R557 VanDerWaalsContact CD-NH2 3.3Å; E519-R557 IonicContact OE1-CZ 3.17Å; E519-R557 IonicContact OE1-NE 2.68Å; E519-R557 PolarHBondContact OE1-NE 3Å; E519-R557 IonicContact OE1-NH2 3.08Å; E519-R557 PolarHBondContact OE1-NH2 2.84Å; E519-R557 IonicContact OE2-CZ 3.84Å; E519-R557 IonicContact OE2-NE 3.9Å; E519-R557 IonicContact OE2-NH2 3.79Å; E519-R557 PolarHBondContact OE2-NH2 3.34Å; E519-R557 VanDerWaalsContact OE2-NH2 3.12Å; Q555-R557 VanDerWaalsContact C-N 3.29Å; Q555-R557 PolarHBondContact O-N 3.25Å; R557-I559 PolarHBondContact O-N 2.94Å; R557-I559 VanDerWaalsContact O-N 3.17Å; R557-L560 PolarHBondContact O-N 3.24Å; R557-L560 VanDerWaalsContact O-N 3.16Å |
| 558 | N | 91.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -23.9 | -174.7 | -71.2 | 1.7 | 0 | 0 | 0 | 112.6 | K515 Q518 Y554 Q555 L560 I561 L562 | K515-N558 PolarHBondContact O-ND2 3.08Å; Q518-N558 WeakPolarHBondContact CB-ND2 3.46Å; Q518-N558 PolarHBondContact OE1-ND2 3.31Å; Y554-N558 HydrophobicContact CD1-CB 4.27Å; Y554-N558 VanDerWaalsContact CD2-C 3.44Å; Y554-N558 HydrophobicContact CD2-CB 3.5Å; Y554-N558 WeakPolarHBondContact CD2-O 3.31Å; Y554-N558 HydrophobicContact CE2-CB 3.88Å; Y554-N558 WeakPolarHBondContact CE2-O 3.28Å; Y554-N558 HydrophobicContact CG-CB 3.69Å; Q555-N558 PolarHBondContact O-N 3.2Å; N558-L560 VanDerWaalsContact C-N 3.26Å; N558-L560 PolarHBondContact O-N 2.96Å; N558-I561 PolarHBondContact O-N 3.05Å; N558-L562 PolarHBondContact O-N 3.02Å |
| 559 | I | 93.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 32.5 Ų | 32.5 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -30.4 | 177.8 | -153.4 | 69.7 | 0 | 0 | 0 | 112.8 | A551 Q555 A556 R557 L562 Y563 K593 | A551-I559 HydrophobicContact CB-CD1 4.41Å; Q555-I559 WeakPolarHBondContact O-CB 3.28Å; Q555-I559 PolarHBondContact O-N 3.24Å; A556-I559 VanDerWaalsContact O-CG2 3.3Å; A556-I559 WeakPolarHBondContact O-CG2 3.25Å; R557-I559 PolarHBondContact O-N 2.94Å; R557-I559 VanDerWaalsContact O-N 3.17Å; I559-L562 HydrophobicContact CD1-CB 4.48Å; I559-L562 HydrophobicContact CD1-CD2 3.76Å; I559-L562 WeakPolarHBondContact O-CB 3.21Å; I559-L562 PolarHBondContact O-N 3.36Å; I559-Y563 HydrophobicContact CG1-CE1 3.87Å; I559-Y563 HydrophobicContact CG1-CE2 4.27Å; I559-Y563 HydrophobicContact CG2-CE2 4.13Å; I559-Y563 WeakPolarHBondContact O-CD2 3.48Å; I559-Y563 VanDerWaalsContact O-CG 3.3Å; I559-Y563 PolarHBondContact O-N 3.33Å; I559-K593 HydrophobicContact CD1-CD 4.1Å; I559-K593 HydrophobicContact CG1-CD 4.02Å |
| 560 | L | 91 | Very high | 94 | Very high | 50 Ų | 50 | 29.4 Ų | 29.4 | 26% | 0.262 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 177.8 | -57.7 | 178 | 0 | 0 | 0 | 110.5 | R557 N558 L562 Y563 D564 | R557-L560 PolarHBondContact O-N 3.24Å; R557-L560 VanDerWaalsContact O-N 3.16Å; N558-L560 VanDerWaalsContact C-N 3.26Å; N558-L560 PolarHBondContact O-N 2.96Å; L560-L562 VanDerWaalsContact C-N 3.26Å; L560-L562 PolarHBondContact O-N 3.3Å; L560-Y563 HydrophobicContact CD2-CD2 4.36Å; L560-Y563 HydrophobicContact CD2-CE2 4.35Å; L560-Y563 WeakPolarHBondContact O-CB 3.42Å; L560-Y563 PolarHBondContact O-N 3.07Å; L560-Y563 VanDerWaalsContact O-N 3.16Å; L560-D564 PolarHBondContact O-N 2.84Å |
| 561 | I | 91.7 | Very high | 94 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -31.9 | 176 | -51.2 | 176.7 | 0 | 0 | 0 | 111.1 | E519 C522 S523 N558 D564 A565 | E519-I561 HydrophobicContact CB-CD1 4.03Å; E519-I561 HydrophobicContact CG-CD1 3.56Å; C522-I561 HydrophobicContact CB-CG2 3.86Å; S523-I561 WeakPolarHBondContact OG-CG2 3.27Å; N558-I561 PolarHBondContact O-N 3.05Å; I561-D564 PolarHBondContact O-N 2.83Å; I561-A565 PolarHBondContact O-N 3.2Å |
| 562 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.1 | -35.5 | 174.9 | -173.9 | 66.3 | 0 | 0 | 0 | 112.4 | L547 A550 A551 Y554 N558 I559 L560 D564 I566 | L547-L562 HydrophobicContact CB-CD1 4.38Å; L547-L562 HydrophobicContact CD2-CD1 3.5Å; A550-L562 HydrophobicContact CB-CD1 3.92Å; A550-L562 HydrophobicContact CB-CD2 4.09Å; A551-L562 HydrophobicContact CB-CD2 3.53Å; A551-L562 VanDerWaalsContact N-CD2 3.34Å; Y554-L562 HydrophobicContact CD2-CB 3.77Å; Y554-L562 HydrophobicContact CD2-CD2 4.04Å; Y554-L562 HydrophobicContact CD2-CG 4.36Å; Y554-L562 HydrophobicContact CE2-CB 3.93Å; Y554-L562 HydrophobicContact CE2-CD1 4.28Å; Y554-L562 HydrophobicContact CE2-CG 4.48Å; N558-L562 PolarHBondContact O-N 3.02Å; I559-L562 HydrophobicContact CD1-CB 4.48Å; I559-L562 HydrophobicContact CD1-CD2 3.76Å; I559-L562 WeakPolarHBondContact O-CB 3.21Å; I559-L562 PolarHBondContact O-N 3.36Å; L560-L562 VanDerWaalsContact C-N 3.26Å; L560-L562 PolarHBondContact O-N 3.3Å; L562-D564 VanDerWaalsContact C-N 3.34Å; L562-I566 HydrophobicContact CG-CD1 4.01Å; L562-I566 WeakPolarHBondContact O-CD1 3.47Å; L562-I566 VanDerWaalsContact O-CG1 3.24Å; L562-I566 WeakPolarHBondContact O-CG1 3.42Å; L562-I566 PolarHBondContact O-N 3.47Å |
| 563 | Y | 95.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 175 | -60.9 | -34 | 0 | 0 | 0 | 111.6 | I559 L560 I566 G567 L590 K593 L607 C610 | I559-Y563 HydrophobicContact CG1-CE1 3.87Å; I559-Y563 HydrophobicContact CG1-CE2 4.27Å; I559-Y563 HydrophobicContact CG2-CE2 4.13Å; I559-Y563 WeakPolarHBondContact O-CD2 3.48Å; I559-Y563 VanDerWaalsContact O-CG 3.3Å; I559-Y563 PolarHBondContact O-N 3.33Å; L560-Y563 HydrophobicContact CD2-CD2 4.36Å; L560-Y563 HydrophobicContact CD2-CE2 4.35Å; L560-Y563 WeakPolarHBondContact O-CB 3.42Å; L560-Y563 PolarHBondContact O-N 3.07Å; L560-Y563 VanDerWaalsContact O-N 3.16Å; Y563-I566 PolarHBondContact O-N 3.46Å; Y563-G567 PolarHBondContact O-N 3.06Å; Y563-L590 HydrophobicContact CD1-CD2 3.96Å; Y563-L590 HydrophobicContact CE1-CD2 3.87Å; Y563-K593 HydrophobicContact CE1-CD 3.94Å; Y563-K593 WeakPolarHBondContact OH-CB 3.2Å; Y563-K593 WeakPolarHBondContact OH-CD 3.49Å; Y563-L607 HydrophobicContact CD1-CD1 4.01Å; Y563-L607 HydrophobicContact CD2-CB 4.24Å; Y563-L607 HydrophobicContact CE1-CD1 3.85Å; Y563-L607 HydrophobicContact CE2-CB 4.06Å; Y563-L607 HydrophobicContact CE2-CD1 4.49Å; Y563-L607 HydrophobicContact CG-CD1 4.41Å; Y563-C610 PolarHBondContact O-SG 3.5Å; Y563-C610 VanDerWaalsContact O-SG 3.34Å |
| 564 | D | 94.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 24.3 Ų | 24.3 | 49% | 0.492 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -56.6 | -56.4 | 172.6 | -178.9 | 57.5 | 0 | 0 | 0 | 110.7 | L560 I561 L562 I566 G567 T568 | L560-D564 PolarHBondContact O-N 2.84Å; I561-D564 PolarHBondContact O-N 2.83Å; L562-D564 VanDerWaalsContact C-N 3.34Å; D564-I566 VanDerWaalsContact C-N 3.32Å; D564-I566 PolarHBondContact O-N 3.34Å; D564-G567 CarbonylContact O-C 3.34Å; D564-G567 WeakPolarHBondContact O-CA 3.49Å; D564-G567 PolarHBondContact O-N 3.36Å; D564-T568 PolarHBondContact O-N 2.88Å; D564-T568 PolarHBondContact O-OG1 3.19Å |
| 565 | A | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.8 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A526 L547 I561 G567 L569 | A526-A565 HydrophobicContact CB-CB 4.17Å; L547-A565 HydrophobicContact CD2-CB 4.39Å; I561-A565 PolarHBondContact O-N 3.2Å; A565-G567 VanDerWaalsContact C-N 3.33Å; A565-G567 PolarHBondContact O-N 2.97Å; A565-L569 WeakPolarHBondContact O-CB 3.33Å; A565-L569 PolarHBondContact O-N 2.93Å |
| 566 | I | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 175.8 | -68.4 | 165.3 | 0 | 0 | 0 | 111.4 | L547 L562 Y563 D564 A570 M589 L590 L614 | L547-I566 HydrophobicContact CB-CG1 4.33Å; L547-I566 HydrophobicContact CD1-CG1 4.01Å; L547-I566 HydrophobicContact CD2-CG1 4.36Å; L547-I566 HydrophobicContact CG-CG1 4.47Å; L562-I566 HydrophobicContact CG-CD1 4.01Å; L562-I566 WeakPolarHBondContact O-CD1 3.47Å; L562-I566 VanDerWaalsContact O-CG1 3.24Å; L562-I566 WeakPolarHBondContact O-CG1 3.42Å; L562-I566 PolarHBondContact O-N 3.47Å; Y563-I566 PolarHBondContact O-N 3.46Å; D564-I566 VanDerWaalsContact C-N 3.32Å; D564-I566 PolarHBondContact O-N 3.34Å; I566-A570 PolarHBondContact O-N 3.06Å; I566-A570 VanDerWaalsContact O-N 3.11Å; I566-M589 HydrophobicContact CD1-CE 4.19Å; I566-L590 HydrophobicContact CD1-CD2 4.17Å; I566-L590 HydrophobicContact CG2-CD1 4.46Å; I566-L614 HydrophobicContact CG2-CD1 3.96Å; I566-L614 HydrophobicContact CG2-CD2 3.92Å; I566-L614 HydrophobicContact CG2-CG 4.26Å |
| 567 | G | 97.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.5 | -50.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y563 D564 A565 L569 A570 D571 S613 | Y563-G567 PolarHBondContact O-N 3.06Å; D564-G567 CarbonylContact O-C 3.34Å; D564-G567 WeakPolarHBondContact O-CA 3.49Å; D564-G567 PolarHBondContact O-N 3.36Å; A565-G567 VanDerWaalsContact C-N 3.33Å; A565-G567 PolarHBondContact O-N 2.97Å; G567-L569 VanDerWaalsContact C-N 3.33Å; G567-L569 PolarHBondContact O-N 3.06Å; G567-A570 WeakPolarHBondContact O-CA 3.44Å; G567-A570 VanDerWaalsContact O-CB 3.31Å; G567-A570 WeakPolarHBondContact O-CB 3.36Å; G567-A570 PolarHBondContact O-N 3.12Å; G567-D571 PolarHBondContact O-N 2.89Å; G567-S613 WeakPolarHBondContact O-CB 3.29Å |
| 568 | T | 98 | Very high | 96.4 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 15% | 0.153 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 176.4 | -48 | 0 | 0 | 0 | 0 | 111.6 | A526 E529 E530 D564 A570 D571 S572 | A526-T568 WeakPolarHBondContact O-CG2 3.38Å; E529-T568 HydrophobicContact CB-CG2 4.15Å; E530-T568 HydrophobicContact CB-CG2 4.01Å; D564-T568 PolarHBondContact O-N 2.88Å; D564-T568 PolarHBondContact O-OG1 3.19Å; T568-A570 VanDerWaalsContact C-N 3.29Å; T568-A570 PolarHBondContact O-N 3.15Å; T568-D571 PolarHBondContact O-N 3.32Å; T568-S572 WeakPolarHBondContact O-CB 3.31Å; T568-S572 PolarHBondContact O-N 2.91Å; T568-S572 PolarHBondContact O-OG 3.08Å |
| 569 | L | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57 | -45 | 172.6 | -178.3 | 65.9 | 0 | 0 | 0 | 111.3 | E529 L536 L540 I543 L547 A565 G567 S572 V573 | E529-L569 HydrophobicContact CG-CD1 4.15Å; E529-L569 PolarHBondContact OE2-N 3.16Å; L536-L569 HydrophobicContact CD1-CD1 4.11Å; L540-L569 HydrophobicContact CD2-CD1 3.98Å; L540-L569 HydrophobicContact CD2-CD2 4.46Å; I543-L569 HydrophobicContact CG2-CD1 4.18Å; I543-L569 HydrophobicContact CG2-CD2 3.75Å; L547-L569 HydrophobicContact CD1-CD2 3.74Å; A565-L569 WeakPolarHBondContact O-CB 3.33Å; A565-L569 PolarHBondContact O-N 2.93Å; G567-L569 VanDerWaalsContact C-N 3.33Å; G567-L569 PolarHBondContact O-N 3.06Å; L569-S572 PolarHBondContact O-N 3.27Å; L569-V573 HydrophobicContact CD1-CG1 4.08Å; L569-V573 WeakPolarHBondContact O-CG2 3.37Å; L569-V573 PolarHBondContact O-N 2.94Å |
| 570 | A | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I566 G567 T568 S572 G574 L577 L614 A617 | I566-A570 PolarHBondContact O-N 3.06Å; I566-A570 VanDerWaalsContact O-N 3.11Å; G567-A570 WeakPolarHBondContact O-CA 3.44Å; G567-A570 VanDerWaalsContact O-CB 3.31Å; G567-A570 WeakPolarHBondContact O-CB 3.36Å; G567-A570 PolarHBondContact O-N 3.12Å; T568-A570 VanDerWaalsContact C-N 3.29Å; T568-A570 PolarHBondContact O-N 3.15Å; A570-S572 VanDerWaalsContact C-N 3.31Å; A570-S572 PolarHBondContact O-N 2.96Å; A570-G574 VanDerWaalsContact O-CA 3.28Å; A570-G574 WeakPolarHBondContact O-CA 3.23Å; A570-G574 PolarHBondContact O-N 3Å; A570-L577 HydrophobicContact CB-CD1 3.75Å; A570-L614 HydrophobicContact CB-CD2 3.88Å; A570-L614 HydrophobicContact CB-CG 4.31Å; A570-A617 HydrophobicContact CB-CB 3.79Å; A570-A617 WeakPolarHBondContact O-CB 3.24Å |
| 571 | D | 98.1 | Very high | 97.3 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.9 | -35.8 | 175.5 | -67.5 | -37.1 | 0 | 0 | 0 | 111.8 | G567 T568 S613 | G567-D571 PolarHBondContact O-N 2.89Å; T568-D571 PolarHBondContact O-N 3.32Å; D571-S613 WeakPolarHBondContact OD1-CB 3.4Å; D571-S613 PolarHBondContact OD1-OG 3.24Å; D571-S613 VanDerWaalsContact OD2-CB 3.3Å; D571-S613 WeakPolarHBondContact OD2-CB 3.46Å; D571-S613 PolarHBondContact OD2-OG 3.4Å |
| 572 | S | 97.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.5 | -39.3 | -178 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | E529 M534 T568 L569 A570 | E529-S572 VanDerWaalsContact C-OG 3.3Å; E529-S572 WeakPolarHBondContact O-CB 3.1Å; E529-S572 PolarHBondContact O-OG 2.99Å; E529-S572 VanDerWaalsContact O-OG 3.11Å; M534-S572 WeakPolarHBondContact CE-O 3.45Å; T568-S572 WeakPolarHBondContact O-CB 3.31Å; T568-S572 PolarHBondContact O-N 2.91Å; T568-S572 PolarHBondContact O-OG 3.08Å; L569-S572 PolarHBondContact O-N 3.27Å; A570-S572 VanDerWaalsContact C-N 3.31Å; A570-S572 PolarHBondContact O-N 2.96Å |
| 573 | V | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -107.8 | -13.8 | -177.3 | -48.7 | 0 | 0 | 0 | 0 | 114.6 | L536 L540 L569 S575 Y576 L577 | L536-V573 HydrophobicContact CB-CG1 4.11Å; L540-V573 HydrophobicContact CD1-CG2 4.38Å; L540-V573 HydrophobicContact CD2-CG1 4.15Å; L540-V573 HydrophobicContact CD2-CG2 4.03Å; L569-V573 HydrophobicContact CD1-CG1 4.08Å; L569-V573 WeakPolarHBondContact O-CG2 3.37Å; L569-V573 PolarHBondContact O-N 2.94Å; V573-S575 PolarHBondContact O-N 3.29Å; V573-Y576 VanDerWaalsContact O-CD2 3.31Å; V573-Y576 WeakPolarHBondContact O-CD2 3.32Å; V573-Y576 PolarHBondContact O-N 3.09Å; V573-L577 HydrophobicContact CG2-CD1 4.19Å; V573-L577 HydrophobicContact CG2-CD2 4.28Å; V573-L577 HydrophobicContact CG2-CG 3.6Å |
| 574 | G | 96.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 42 Ų | 42 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | 50.3 | -128.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | A570 Y576 L577 A617 | A570-G574 VanDerWaalsContact O-CA 3.28Å; A570-G574 WeakPolarHBondContact O-CA 3.23Å; A570-G574 PolarHBondContact O-N 3Å; G574-Y576 PolarHBondContact O-N 3.35Å; G574-L577 PolarHBondContact O-N 3.38Å; G574-A617 WeakPolarHBondContact O-CB 3.31Å |
| 575 | S | 97.3 | Very high | 97.8 | Very high | 71 Ų | 71 | 40.4 Ų | 40.4 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -59.4 | -12.4 | -172.7 | 61.7 | 0 | 0 | 0 | 0 | 116 | V573 L577 N578 A617 | V573-S575 PolarHBondContact O-N 3.29Å; S575-L577 PolarHBondContact O-N 2.92Å; S575-N578 VanDerWaalsContact O-CB 3.3Å; S575-N578 WeakPolarHBondContact O-CB 3.22Å; S575-N578 PolarHBondContact O-N 3.04Å; S575-A617 VanDerWaalsContact CA-O 3.31Å; S575-A617 WeakPolarHBondContact CA-O 3.43Å |
| 576 | Y | 98.1 | Very high | 97.8 | Very high | 125 Ų | 125 | 40.5 Ų | 40.5 | 49% | 0.49 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -66 | -23.5 | 172.7 | -72.2 | -79.4 | 0 | 0 | 0 | 112.7 | M534 V537 V573 G574 N578 | M534-Y576 HydrophobicContact SD-CD2 4.15Å; M534-Y576 HydrophobicContact SD-CE2 3.76Å; V537-Y576 HydrophobicContact CG1-CD1 3.6Å; V537-Y576 HydrophobicContact CG1-CE1 3.79Å; V537-Y576 HydrophobicContact CG1-CG 4.05Å; V537-Y576 HydrophobicContact CG2-CD1 4.09Å; V537-Y576 HydrophobicContact CG2-CD2 3.63Å; V537-Y576 HydrophobicContact CG2-CE1 4.36Å; V537-Y576 HydrophobicContact CG2-CE2 3.94Å; V537-Y576 HydrophobicContact CG2-CG 3.72Å; V573-Y576 VanDerWaalsContact O-CD2 3.31Å; V573-Y576 WeakPolarHBondContact O-CD2 3.32Å; V573-Y576 PolarHBondContact O-N 3.09Å; G574-Y576 PolarHBondContact O-N 3.35Å; Y576-N578 VanDerWaalsContact C-N 3.28Å |
| 577 | L | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -75.7 | -12.4 | 170 | -77.5 | -176.2 | 0 | 0 | 0 | 113.9 | L540 V544 A570 V573 G574 S575 N579 Y582 L614 A617 M618 | L540-L577 HydrophobicContact CD2-CD2 4.34Å; V544-L577 HydrophobicContact CG2-CD2 4.27Å; A570-L577 HydrophobicContact CB-CD1 3.75Å; V573-L577 HydrophobicContact CG2-CD1 4.19Å; V573-L577 HydrophobicContact CG2-CD2 4.28Å; V573-L577 HydrophobicContact CG2-CG 3.6Å; G574-L577 PolarHBondContact O-N 3.38Å; S575-L577 PolarHBondContact O-N 2.92Å; L577-N579 PolarHBondContact O-N 2.99Å; L577-Y582 HydrophobicContact CD2-CD2 4.18Å; L577-Y582 HydrophobicContact CD2-CG 4.49Å; L577-L614 HydrophobicContact CD1-CD2 4.32Å; L577-A617 HydrophobicContact CB-CB 4.4Å; L577-A617 HydrophobicContact CD1-CB 4.44Å; L577-M618 HydrophobicContact CB-CG 4.43Å |
| 578 | N | 98 | Very high | 97.6 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | trans | -75.3 | 60.2 | 172.5 | -169.7 | 5.7 | 0 | 0 | 0 | 111.2 | S575 Y576 M618 | S575-N578 VanDerWaalsContact O-CB 3.3Å; S575-N578 WeakPolarHBondContact O-CB 3.22Å; S575-N578 PolarHBondContact O-N 3.04Å; Y576-N578 VanDerWaalsContact C-N 3.28Å; N578-M618 WeakPolarHBondContact CB-O 3.49Å; N578-M618 PolarHBondContact ND2-O 3.42Å; N578-M618 VanDerWaalsContact ND2-O 3.1Å; N578-M618 PolarHBondContact OD1-O 3.34Å; N578-M618 VanDerWaalsContact OD1-O 3.11Å | ||
| 579 | N | 97.9 | Very high | 97.4 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | trans | -123.7 | 128.7 | 176.4 | 179.6 | -33.1 | 0 | 0 | 0 | 108.3 | L577 D581 Y582 I583 | L577-N579 PolarHBondContact O-N 2.99Å; N579-D581 PolarHBondContact O-N 3.38Å; N579-D581 VanDerWaalsContact O-N 3.1Å; N579-D581 PolarHBondContact OD1-N 2.93Å; N579-Y582 HydrophobicContact CB-CD2 3.49Å; N579-Y582 VanDerWaalsContact CB-CD2 3.49Å; N579-Y582 HydrophobicContact CB-CE2 3.87Å; N579-Y582 HydrophobicContact CB-CG 4.11Å; N579-Y582 PolarHBondContact O-N 2.72Å; N579-Y582 VanDerWaalsContact O-N 3.11Å; N579-I583 WeakPolarHBondContact O-CD1 3.46Å; N579-I583 VanDerWaalsContact O-CG1 3.27Å; N579-I583 WeakPolarHBondContact O-CG1 3.34Å; N579-I583 PolarHBondContact O-N 3.36Å | ||
| 580 | P | 97.4 | Very high | 97.3 | Very high | 96 Ų | 96 | 43.2 Ų | 43.2 | 62% | 0.623 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -50.7 | -34.6 | 179.3 | -28.7 | 35.5 | 0 | 0 | 0 | 115.1 | S584 | P580-S584 WeakPolarHBondContact O-CB 3.5Å; P580-S584 PolarHBondContact O-N 3.38Å; P580-S584 PolarHBondContact O-OG 3.17Å |
| 581 | D | 97.7 | Very high | 97.1 | Very high | 112 Ų | 112 | 44.4 Ų | 44.4 | 60% | 0.599 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -71.6 | -41.3 | -178.7 | -64.5 | -32.4 | 0 | 0 | 0 | 111.4 | N579 S584 S585 | N579-D581 PolarHBondContact O-N 3.38Å; N579-D581 VanDerWaalsContact O-N 3.1Å; N579-D581 PolarHBondContact OD1-N 2.93Å; D581-S584 PolarHBondContact O-OG 3.19Å; D581-S585 WeakPolarHBondContact O-CB 3.15Å; D581-S585 PolarHBondContact O-N 3.3Å; D581-S585 PolarHBondContact O-OG 3Å |
| 582 | Y | 98.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 176 | -55.1 | -31 | 0 | 0 | 0 | 111.6 | L540 D541 V544 L577 N579 S584 S585 L586 | L540-Y582 HydrophobicContact CB-CE1 4.44Å; L540-Y582 HydrophobicContact CB-CE2 3.99Å; L540-Y582 HydrophobicContact CD1-CE2 4.04Å; D541-Y582 WeakPolarHBondContact OD1-CE1 3.44Å; D541-Y582 VanDerWaalsContact OD1-CZ 3.24Å; D541-Y582 PolarHBondContact OD1-OH 3.44Å; V544-Y582 HydrophobicContact CB-CD1 4.29Å; V544-Y582 HydrophobicContact CG1-CD1 4.27Å; V544-Y582 HydrophobicContact CG2-CD1 4.06Å; V544-Y582 HydrophobicContact CG2-CG 4.25Å; L577-Y582 HydrophobicContact CD2-CD2 4.18Å; L577-Y582 HydrophobicContact CD2-CG 4.49Å; N579-Y582 HydrophobicContact CB-CD2 3.49Å; N579-Y582 VanDerWaalsContact CB-CD2 3.49Å; N579-Y582 HydrophobicContact CB-CE2 3.87Å; N579-Y582 HydrophobicContact CB-CG 4.11Å; N579-Y582 PolarHBondContact O-N 2.72Å; N579-Y582 VanDerWaalsContact O-N 3.11Å; Y582-S584 PolarHBondContact O-N 3.1Å; Y582-S585 PolarHBondContact O-N 3.17Å; Y582-S585 VanDerWaalsContact O-N 3.16Å; Y582-L586 PolarHBondContact O-N 2.84Å |
| 583 | I | 97.9 | Very high | 96.6 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 177.4 | -65 | 162.4 | 0 | 0 | 0 | 110.4 | N579 S585 L586 M587 M618 Y625 | N579-I583 WeakPolarHBondContact O-CD1 3.46Å; N579-I583 VanDerWaalsContact O-CG1 3.27Å; N579-I583 WeakPolarHBondContact O-CG1 3.34Å; N579-I583 PolarHBondContact O-N 3.36Å; I583-S585 PolarHBondContact O-N 3.01Å; I583-L586 PolarHBondContact O-N 3.13Å; I583-M587 HydrophobicContact CG2-CG 4.04Å; I583-M587 VanDerWaalsContact O-CB 3.32Å; I583-M587 WeakPolarHBondContact O-CB 3.26Å; I583-M587 PolarHBondContact O-N 2.94Å; I583-M618 HydrophobicContact CG1-CE 4.04Å; I583-M618 HydrophobicContact CG1-CG 4.18Å; I583-M618 HydrophobicContact CG1-SD 3.82Å; I583-Y625 HydrophobicContact CG2-CE2 3.79Å |
| 584 | S | 96.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 48.5 Ų | 48.5 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.2 | -16.5 | -179.8 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | P580 D581 Y582 P588 | P580-S584 WeakPolarHBondContact O-CB 3.5Å; P580-S584 PolarHBondContact O-N 3.38Å; P580-S584 PolarHBondContact O-OG 3.17Å; D581-S584 PolarHBondContact O-OG 3.19Å; Y582-S584 PolarHBondContact O-N 3.1Å; S584-P588 WeakPolarHBondContact O-CD 3.35Å; S584-P588 WeakPolarHBondContact O-CG 3.43Å |
| 585 | S | 96.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -87.5 | -46.8 | 174.8 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | C548 D581 Y582 I583 | C548-S585 VanDerWaalsContact SG-C 3.6Å; C548-S585 PolarHBondContact SG-O 3.28Å; C548-S585 VanDerWaalsContact SG-O 3.33Å; D581-S585 WeakPolarHBondContact O-CB 3.15Å; D581-S585 PolarHBondContact O-N 3.3Å; D581-S585 PolarHBondContact O-OG 3Å; Y582-S585 PolarHBondContact O-N 3.17Å; Y582-S585 VanDerWaalsContact O-N 3.16Å; I583-S585 PolarHBondContact O-N 3.01Å |
| 586 | L | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -80.5 | -52.4 | -175 | -70.1 | 168.3 | 0 | 0 | 0 | 112.5 | V544 Y582 I583 M589 L590 M618 | V544-L586 HydrophobicContact CG1-CD1 4.28Å; V544-L586 HydrophobicContact CG1-CD2 4.19Å; V544-L586 HydrophobicContact CG1-CG 3.92Å; V544-L586 HydrophobicContact CG2-CD1 4.3Å; Y582-L586 PolarHBondContact O-N 2.84Å; I583-L586 PolarHBondContact O-N 3.13Å; L586-M589 PolarHBondContact O-N 2.99Å; L586-L590 PolarHBondContact O-N 3.24Å; L586-M618 HydrophobicContact CD1-CE 4.09Å |
| 587 | M | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | -165.3 | -68.6 | -55.4 | -56.4 | 0 | 0 | 114.4 | I583 M589 L590 I591 F611 L614 M618 F622 Y625 | I583-M587 HydrophobicContact CG2-CG 4.04Å; I583-M587 VanDerWaalsContact O-CB 3.32Å; I583-M587 WeakPolarHBondContact O-CB 3.26Å; I583-M587 PolarHBondContact O-N 2.94Å; M587-M589 VanDerWaalsContact C-N 3.26Å; M587-M589 PolarHBondContact O-N 3.15Å; M587-L590 PolarHBondContact O-N 3.37Å; M587-L590 HydrophobicContact SD-CD1 4.24Å; M587-I591 HydrophobicContact CE-CD1 4.47Å; M587-I591 HydrophobicContact CE-CG1 4.28Å; M587-I591 WeakPolarHBondContact O-CB 3.42Å; M587-I591 VanDerWaalsContact O-CG1 3.24Å; M587-I591 WeakPolarHBondContact O-CG1 3.44Å; M587-I591 PolarHBondContact O-N 2.98Å; M587-F611 HydrophobicContact CE-CD1 4.32Å; M587-F611 HydrophobicContact CE-CE1 3.81Å; M587-F611 HydrophobicContact CE-CZ 4.49Å; M587-L614 HydrophobicContact SD-CD1 4.25Å; M587-M618 HydrophobicContact CG-CE 4.18Å; M587-M618 HydrophobicContact CG-SD 3.91Å; M587-M618 HydrophobicContact SD-CE 4.27Å; M587-M618 HydrophobicContact SD-SD 3.95Å; M587-F622 HydrophobicContact CE-CD2 3.83Å; M587-F622 HydrophobicContact CE-CE2 3.19Å; M587-F622 HydrophobicContact CE-CZ 3.68Å; M587-F622 HydrophobicContact SD-CD2 4.04Å; M587-F622 HydrophobicContact SD-CE2 3.75Å; M587-Y625 HydrophobicContact CB-CD1 4.3Å; M587-Y625 HydrophobicContact CB-CD2 3.86Å; M587-Y625 HydrophobicContact CB-CE1 3.83Å; M587-Y625 HydrophobicContact CB-CE2 3.37Å; M587-Y625 HydrophobicContact CB-CG 4.3Å; M587-Y625 HydrophobicContact CE-CD1 4.43Å; M587-Y625 HydrophobicContact CE-CD2 3.9Å; M587-Y625 HydrophobicContact CE-CG 3.84Å; M587-Y625 HydrophobicContact CG-CD2 3.85Å; M587-Y625 HydrophobicContact CG-CE2 3.62Å |
| 588 | P | 95 | Very high | 95.1 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.6 | -38.1 | 177.6 | -27.4 | 37.5 | 0 | 0 | 0 | 113.4 | S584 E592 | S584-P588 WeakPolarHBondContact O-CD 3.35Å; S584-P588 WeakPolarHBondContact O-CG 3.43Å; P588-E592 PolarHBondContact O-N 3.28Å |
| 589 | M | 94 | Very high | 94.3 | Very high | 24 Ų | 24 | 54 Ų | 54 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 177.7 | 173.5 | -78.8 | -68.7 | 0 | 0 | 111.3 | A551 I566 L586 M587 I591 E592 K593 | A551-M589 HydrophobicContact CB-CE 3.4Å; A551-M589 VanDerWaalsContact CB-CE 3.4Å; A551-M589 HydrophobicContact CB-CG 3.75Å; A551-M589 HydrophobicContact CB-SD 3.38Å; A551-M589 WeakPolarHBondContact CB-SD 3.4Å; I566-M589 HydrophobicContact CD1-CE 4.19Å; L586-M589 PolarHBondContact O-N 2.99Å; M587-M589 VanDerWaalsContact C-N 3.26Å; M587-M589 PolarHBondContact O-N 3.15Å; M589-I591 VanDerWaalsContact C-N 3.33Å; M589-I591 PolarHBondContact O-N 3.37Å; M589-E592 WeakPolarHBondContact O-CB 3.43Å; M589-E592 PolarHBondContact O-N 2.86Å; M589-K593 PolarHBondContact O-N 2.96Å; M589-K593 HydrophobicContact SD-CD 3.79Å; M589-K593 WeakPolarHBondContact SD-CE 3.12Å |
| 590 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 178.5 | -65.1 | 173.2 | 0 | 0 | 0 | 111.6 | Y563 I566 L586 M587 K593 W594 L607 F611 L614 | Y563-L590 HydrophobicContact CD1-CD2 3.96Å; Y563-L590 HydrophobicContact CE1-CD2 3.87Å; I566-L590 HydrophobicContact CD1-CD2 4.17Å; I566-L590 HydrophobicContact CG2-CD1 4.46Å; L586-L590 PolarHBondContact O-N 3.24Å; M587-L590 PolarHBondContact O-N 3.37Å; M587-L590 HydrophobicContact SD-CD1 4.24Å; L590-K593 PolarHBondContact O-N 3.44Å; L590-W594 VanDerWaalsContact O-CB 3.3Å; L590-W594 WeakPolarHBondContact O-CB 3.4Å; L590-W594 PolarHBondContact O-N 2.89Å; L590-L607 HydrophobicContact CB-CD1 4.36Å; L590-L607 HydrophobicContact CD2-CD1 3.94Å; L590-F611 HydrophobicContact CB-CE1 3.7Å; L590-F611 HydrophobicContact CB-CZ 4.07Å; L590-F611 HydrophobicContact CD1-CE1 4.09Å; L590-F611 HydrophobicContact CG-CE1 4.49Å; L590-L614 HydrophobicContact CD1-CD1 3.39Å |
| 591 | I | 95.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 14% | 0.138 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.5 | -33.6 | 176.7 | -68.4 | -70 | 0 | 0 | 0 | 112 | M587 M589 W594 N595 F611 Y625 V629 | M587-I591 HydrophobicContact CE-CD1 4.47Å; M587-I591 HydrophobicContact CE-CG1 4.28Å; M587-I591 WeakPolarHBondContact O-CB 3.42Å; M587-I591 VanDerWaalsContact O-CG1 3.24Å; M587-I591 WeakPolarHBondContact O-CG1 3.44Å; M587-I591 PolarHBondContact O-N 2.98Å; M589-I591 VanDerWaalsContact C-N 3.33Å; M589-I591 PolarHBondContact O-N 3.37Å; I591-W594 WeakPolarHBondContact O-CB 3.46Å; I591-N595 WeakPolarHBondContact CG2-ND2 3.24Å; I591-N595 WeakPolarHBondContact O-CB 3.38Å; I591-N595 VanDerWaalsContact O-CG 3.25Å; I591-N595 PolarHBondContact O-N 3.34Å; I591-N595 PolarHBondContact O-ND2 2.88Å; I591-F611 HydrophobicContact CD1-CZ 4.04Å; I591-Y625 HydrophobicContact CD1-CD1 4.18Å; I591-Y625 HydrophobicContact CG1-CD1 3.71Å; I591-Y625 HydrophobicContact CG1-CE1 4.26Å; I591-Y625 HydrophobicContact CG1-CG 4.41Å; I591-V629 HydrophobicContact CD1-CG2 4.1Å |
| 592 | E | 94 | Very high | 92.1 | Very high | 146 Ų | 146 | 54.8 Ų | 54.8 | 68% | 0.682 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 171.7 | -174.9 | 179 | 176.4 | 0 | 0 | 110.9 | P588 M589 N595 A596 | P588-E592 PolarHBondContact O-N 3.28Å; M589-E592 WeakPolarHBondContact O-CB 3.43Å; M589-E592 PolarHBondContact O-N 2.86Å; E592-N595 PolarHBondContact O-N 2.81Å; E592-A596 PolarHBondContact O-N 3.16Å |
| 593 | K | 91.9 | Very high | 91.3 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -43 | 177.3 | -65.2 | 178.8 | -172.2 | -80.6 | 0 | 112 | A551 I559 Y563 M589 L590 N595 A596 L597 L607 | A551-K593 WeakPolarHBondContact O-CE 3.5Å; A551-K593 PolarHBondContact O-NZ 3.03Å; I559-K593 HydrophobicContact CD1-CD 4.1Å; I559-K593 HydrophobicContact CG1-CD 4.02Å; Y563-K593 HydrophobicContact CE1-CD 3.94Å; Y563-K593 WeakPolarHBondContact OH-CB 3.2Å; Y563-K593 WeakPolarHBondContact OH-CD 3.49Å; M589-K593 PolarHBondContact O-N 2.96Å; M589-K593 HydrophobicContact SD-CD 3.79Å; M589-K593 WeakPolarHBondContact SD-CE 3.12Å; L590-K593 PolarHBondContact O-N 3.44Å; K593-N595 VanDerWaalsContact C-N 3.34Å; K593-N595 PolarHBondContact O-N 2.82Å; K593-A596 WeakPolarHBondContact O-CB 3.48Å; K593-A596 PolarHBondContact O-N 2.96Å; K593-A596 VanDerWaalsContact O-N 3.08Å; K593-L597 PolarHBondContact O-N 3.13Å; K593-L607 HydrophobicContact CB-CD2 4.45Å |
| 594 | W | 93.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -50.6 | -53.8 | 172.3 | 175.6 | -107.7 | 0 | 0 | 0 | 111.2 | L590 I591 A596 L597 V604 L607 L608 F611 V629 R632 | L590-W594 VanDerWaalsContact O-CB 3.3Å; L590-W594 WeakPolarHBondContact O-CB 3.4Å; L590-W594 PolarHBondContact O-N 2.89Å; I591-W594 WeakPolarHBondContact O-CB 3.46Å; W594-A596 PolarHBondContact O-N 3.38Å; W594-L597 PolarHBondContact O-N 3.08Å; W594-V604 HydrophobicContact CE3-CG2 3.99Å; W594-V604 HydrophobicContact CH2-CG2 4.46Å; W594-V604 HydrophobicContact CZ3-CG2 3.58Å; W594-L607 HydrophobicContact CB-CD2 3.87Å; W594-L607 HydrophobicContact CE3-CD2 3.97Å; W594-L607 HydrophobicContact CE3-CG 4.23Å; W594-L608 HydrophobicContact CH2-CD2 3.45Å; W594-L608 VanDerWaalsContact CH2-CD2 3.45Å; W594-L608 HydrophobicContact CH2-CG 4.4Å; W594-L608 HydrophobicContact CZ3-CD2 3.51Å; W594-L608 HydrophobicContact CZ3-CG 4.01Å; W594-F611 HydrophobicContact CB-CE2 4.24Å; W594-F611 HydrophobicContact CB-CZ 4.29Å; W594-F611 AromaticContact CD2-CE2 3.74Å; W594-F611 HydrophobicContact CD2-CE2 3.74Å; W594-F611 HydrophobicContact CE3-CD2 4.18Å; W594-F611 AromaticContact CE3-CE2 3.62Å; W594-F611 HydrophobicContact CE3-CE2 3.62Å; W594-F611 HydrophobicContact CG-CE2 4.08Å; W594-F611 HydrophobicContact CZ3-CD2 4.25Å; W594-F611 HydrophobicContact CZ3-CE2 4.13Å; W594-V629 HydrophobicContact CH2-CG1 4.42Å; W594-V629 HydrophobicContact CZ2-CB 4.44Å; W594-V629 HydrophobicContact CZ2-CG1 4.15Å; W594-V629 HydrophobicContact CZ2-CG2 4.49Å; W594-R632 HydrophobicContact CH2-CG 4.26Å; W594-R632 HydrophobicContact CZ2-CB 3.73Å; W594-R632 VanDerWaalsContact CZ2-CD 3.41Å; W594-R632 HydrophobicContact CZ2-CG 3.75Å; W594-R632 PolarHBondContact O-NH1 3.14Å |
| 595 | N | 93.6 | Very high | 90.5 | Very high | 111 Ų | 111 | 54.7 Ų | 54.7 | 59% | 0.594 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.1 | -17.5 | -177.6 | -69.6 | -38.8 | 0 | 0 | 0 | 114.1 | I591 E592 K593 | I591-N595 WeakPolarHBondContact CG2-ND2 3.24Å; I591-N595 WeakPolarHBondContact O-CB 3.38Å; I591-N595 VanDerWaalsContact O-CG 3.25Å; I591-N595 PolarHBondContact O-N 3.34Å; I591-N595 PolarHBondContact O-ND2 2.88Å; E592-N595 PolarHBondContact O-N 2.81Å; K593-N595 VanDerWaalsContact C-N 3.34Å; K593-N595 PolarHBondContact O-N 2.82Å |
| 596 | A | 91.7 | Very high | 90.3 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 69% | 0.686 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -81.1 | -25.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E592 K593 W594 | E592-A596 PolarHBondContact O-N 3.16Å; K593-A596 WeakPolarHBondContact O-CB 3.48Å; K593-A596 PolarHBondContact O-N 2.96Å; K593-A596 VanDerWaalsContact O-N 3.08Å; W594-A596 PolarHBondContact O-N 3.38Å |
| 597 | L | 89.4 | Confident | 90.1 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -79.2 | 154.1 | -178.7 | -65.9 | 172.1 | 0 | 0 | 0 | 112.2 | K593 W594 E603 V604 L607 R632 | K593-L597 PolarHBondContact O-N 3.13Å; W594-L597 PolarHBondContact O-N 3.08Å; L597-E603 HydrophobicContact CD2-CB 3.87Å; L597-V604 HydrophobicContact CD1-CB 4.24Å; L597-V604 HydrophobicContact CD1-CG2 4.28Å; L597-L607 HydrophobicContact CD1-CD2 4.25Å; L597-R632 PolarHBondContact O-NH2 2.85Å |
| 598 | K | 87 | Confident | 90 | Very high | 144 Ų | 144 | 53.4 Ų | 53.4 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | trans | -91 | 158.2 | 173.1 | -61 | 175.3 | -173.2 | 163.4 | 0 | 111.2 | N600 D601 | K598-N600 VanDerWaalsContact C-N 3.26Å; K598-N600 PolarHBondContact O-N 3.24Å; K598-D601 HydrophobicContact CB-CB 4.23Å; K598-D601 WeakPolarHBondContact O-CB 3.19Å; K598-D601 PolarHBondContact O-N 3.21Å | ||
| 599 | D | 81.2 | Confident | 90 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -20.2 | -175.8 | -58.7 | -23.8 | 0 | 0 | 0 | 113.9 | R632 K635 M636 F661 | D599-R632 IonicContact OD1-CZ 3.79Å; D599-R632 IonicContact OD1-NE 3.28Å; D599-R632 PolarHBondContact OD1-NE 3.07Å; D599-R632 IonicContact OD1-NH2 3.09Å; D599-R632 PolarHBondContact OD1-NH2 3.02Å; D599-K635 VanDerWaalsContact OD2-CE 3.25Å; D599-K635 WeakPolarHBondContact OD2-CE 3.48Å; D599-K635 IonicContact OD2-NZ 3.38Å; D599-K635 PolarHBondContact OD2-NZ 3.39Å; D599-M636 HydrophobicContact CB-CG 4.39Å; D599-F661 WeakPolarHBondContact O-CE1 3.48Å |
| 600 | N | 80.3 | Confident | 90.1 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 13.1 | 176.4 | 70.1 | -34.1 | 0 | 0 | 0 | 112.8 | K598 F661 | K598-N600 VanDerWaalsContact C-N 3.26Å; K598-N600 PolarHBondContact O-N 3.24Å; N600-F661 VanDerWaalsContact C-CZ 3.45Å |
| 601 | D | 82.3 | Confident | 90.2 | Very high | 49 Ų | 49 | 54.7 Ų | 54.7 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | trans | -90.5 | 127.2 | 178.9 | -157 | -28.6 | 0 | 0 | 0 | 110.2 | K598 E603 V604 | K598-D601 HydrophobicContact CB-CB 4.23Å; K598-D601 WeakPolarHBondContact O-CB 3.19Å; K598-D601 PolarHBondContact O-N 3.21Å; D601-E603 PolarHBondContact O-N 2.96Å; D601-E603 WeakPolarHBondContact OD1-CB 3.2Å; D601-E603 WeakPolarHBondContact OD1-CG 3.37Å; D601-E603 PolarHBondContact OD1-N 3.4Å; D601-E603 VanDerWaalsContact OD1-N 3.08Å; D601-V604 WeakPolarHBondContact O-CB 3.45Å; D601-V604 WeakPolarHBondContact O-CG1 3.46Å; D601-V604 PolarHBondContact O-N 3.01Å | ||
| 602 | R | 84.1 | Confident | 90.3 | Very high | 113 Ų | 113 | 54.4 Ų | 54.4 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.3 | 177.3 | -73 | -175.8 | 169.7 | -143.7 | -13.8 | 112.2 | V604 F605 D658 D660 F661 | R602-V604 PolarHBondContact O-N 3.25Å; R602-V604 VanDerWaalsContact O-N 3.1Å; R602-F605 HydrophobicContact CG-CE2 4.35Å; R602-F605 HydrophobicContact CG-CZ 4.24Å; R602-F605 WeakPolarHBondContact O-CB 3.5Å; R602-F605 WeakPolarHBondContact O-CG 3.29Å; R602-F605 PolarHBondContact O-N 3.09Å; R602-F605 VanDerWaalsContact O-N 3.08Å; R602-D658 IonicContact CZ-OD2 3.4Å; R602-D658 IonicContact NE-OD2 3.08Å; R602-D658 PolarHBondContact NE-OD2 3.4Å; R602-D658 VanDerWaalsContact NE-OD2 3.09Å; R602-D658 VanDerWaalsContact NH2-CG 3.26Å; R602-D658 IonicContact NH2-OD1 2.62Å; R602-D658 PolarHBondContact NH2-OD1 3.09Å; R602-D658 VanDerWaalsContact NH2-OD1 3.12Å; R602-D658 IonicContact NH2-OD2 2.8Å; R602-D658 PolarHBondContact NH2-OD2 2.98Å; R602-D660 IonicContact CZ-OD2 3.32Å; R602-D660 IonicContact NH1-OD2 3.65Å; R602-D660 IonicContact NH2-OD2 3.24Å; R602-D660 PolarHBondContact NH2-OD2 3.22Å; R602-F661 HydrophobicContact CG-CE2 4.21Å; R602-F661 HydrophobicContact CG-CZ 4.17Å |
| 603 | E | 82.3 | Confident | 90.5 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.5 | 172.1 | -69.1 | -178.8 | -167.2 | 0 | 0 | 112.9 | I360 L597 D601 F605 | I360-E603 WeakPolarHBondContact CG2-OE1 3.5Å; L597-E603 HydrophobicContact CD2-CB 3.87Å; D601-E603 PolarHBondContact O-N 2.96Å; D601-E603 WeakPolarHBondContact OD1-CB 3.2Å; D601-E603 WeakPolarHBondContact OD1-CG 3.37Å; D601-E603 PolarHBondContact OD1-N 3.4Å; D601-E603 VanDerWaalsContact OD1-N 3.08Å; E603-F605 PolarHBondContact O-N 3Å |
| 604 | V | 87.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.9 | -19.7 | 176.3 | 81.2 | 0 | 0 | 0 | 0 | 113.1 | W594 L597 D601 R602 L607 L608 M636 F661 | W594-V604 HydrophobicContact CE3-CG2 3.99Å; W594-V604 HydrophobicContact CH2-CG2 4.46Å; W594-V604 HydrophobicContact CZ3-CG2 3.58Å; L597-V604 HydrophobicContact CD1-CB 4.24Å; L597-V604 HydrophobicContact CD1-CG2 4.28Å; D601-V604 WeakPolarHBondContact O-CB 3.45Å; D601-V604 WeakPolarHBondContact O-CG1 3.46Å; D601-V604 PolarHBondContact O-N 3.01Å; R602-V604 PolarHBondContact O-N 3.25Å; R602-V604 VanDerWaalsContact O-N 3.1Å; V604-L607 PolarHBondContact O-N 3.11Å; V604-L608 HydrophobicContact CG1-CD1 3.97Å; V604-L608 HydrophobicContact CG2-CD1 4.39Å; V604-L608 HydrophobicContact CG2-CG 4.3Å; V604-L608 WeakPolarHBondContact O-CG 3.37Å; V604-L608 PolarHBondContact O-N 3.34Å; V604-M636 HydrophobicContact CG1-CE 3.8Å; V604-F661 HydrophobicContact CG1-CE1 4.16Å |
| 605 | F | 90.9 | Very high | 91.1 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -52.4 | -170.3 | -72.9 | 8.9 | 0 | 0 | 0 | 112.4 | R602 E603 L607 L608 E609 D660 F661 I664 | R602-F605 HydrophobicContact CG-CE2 4.35Å; R602-F605 HydrophobicContact CG-CZ 4.24Å; R602-F605 WeakPolarHBondContact O-CB 3.5Å; R602-F605 WeakPolarHBondContact O-CG 3.29Å; R602-F605 PolarHBondContact O-N 3.09Å; R602-F605 VanDerWaalsContact O-N 3.08Å; E603-F605 PolarHBondContact O-N 3Å; F605-L607 PolarHBondContact O-N 3.08Å; F605-L607 VanDerWaalsContact O-N 3.12Å; F605-L608 HydrophobicContact CD1-CD1 4.48Å; F605-L608 WeakPolarHBondContact O-CB 3.45Å; F605-L608 PolarHBondContact O-N 3.27Å; F605-E609 PolarHBondContact O-N 3.04Å; F605-D660 HydrophobicContact CE2-CB 3.58Å; F605-D660 HydrophobicContact CZ-CB 3.67Å; F605-F661 HydrophobicContact CD1-CE1 4.49Å; F605-F661 AromaticContact CE1-CD1 3.63Å; F605-F661 HydrophobicContact CE1-CD1 3.63Å; F605-F661 HydrophobicContact CE1-CD2 4.23Å; F605-F661 AromaticContact CE1-CE1 3.55Å; F605-F661 HydrophobicContact CE1-CE1 3.55Å; F605-F661 HydrophobicContact CE1-CE2 4.17Å; F605-F661 AromaticContact CE1-CG 3.97Å; F605-F661 HydrophobicContact CE1-CG 3.97Å; F605-F661 AromaticContact CE1-CZ 3.83Å; F605-F661 HydrophobicContact CE1-CZ 3.83Å; F605-F661 HydrophobicContact CZ-CD1 4.22Å; F605-F661 HydrophobicContact CZ-CD2 4.01Å; F605-F661 HydrophobicContact CZ-CE1 4.23Å; F605-F661 HydrophobicContact CZ-CE2 4.03Å; F605-F661 HydrophobicContact CZ-CG 4.1Å; F605-F661 HydrophobicContact CZ-CZ 4.13Å; F605-I664 VanDerWaalsContact CA-CD1 3.5Å; F605-I664 HydrophobicContact CB-CD1 3.51Å; F605-I664 HydrophobicContact CD1-CD1 4.04Å; F605-I664 HydrophobicContact CD1-CG2 3.96Å; F605-I664 HydrophobicContact CD2-CD1 4.28Å; F605-I664 HydrophobicContact CE1-CG2 3.89Å; F605-I664 HydrophobicContact CG-CD1 3.71Å; F605-I664 HydrophobicContact CZ-CG2 4.42Å; F605-I664 WeakPolarHBondContact O-CD1 3.09Å |
| 606 | S | 91.2 | Very high | 91.3 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -29.7 | 178.8 | -52 | 0 | 0 | 0 | 0 | 112.8 | C610 | S606-C610 VanDerWaalsContact O-CB 3.3Å; S606-C610 WeakPolarHBondContact O-CB 3.34Å; S606-C610 PolarHBondContact O-N 3.1Å; S606-C610 VanDerWaalsContact O-N 3.09Å |
| 607 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -77.4 | -31.3 | 176.4 | -172.8 | 55.7 | 0 | 0 | 0 | 112.6 | Y563 L590 K593 W594 L597 V604 F605 F611 | Y563-L607 HydrophobicContact CD1-CD1 4.01Å; Y563-L607 HydrophobicContact CD2-CB 4.24Å; Y563-L607 HydrophobicContact CE1-CD1 3.85Å; Y563-L607 HydrophobicContact CE2-CB 4.06Å; Y563-L607 HydrophobicContact CE2-CD1 4.49Å; Y563-L607 HydrophobicContact CG-CD1 4.41Å; L590-L607 HydrophobicContact CB-CD1 4.36Å; L590-L607 HydrophobicContact CD2-CD1 3.94Å; K593-L607 HydrophobicContact CB-CD2 4.45Å; W594-L607 HydrophobicContact CB-CD2 3.87Å; W594-L607 HydrophobicContact CE3-CD2 3.97Å; W594-L607 HydrophobicContact CE3-CG 4.23Å; L597-L607 HydrophobicContact CD1-CD2 4.25Å; V604-L607 PolarHBondContact O-N 3.11Å; F605-L607 PolarHBondContact O-N 3.08Å; F605-L607 VanDerWaalsContact O-N 3.12Å; L607-F611 HydrophobicContact CD1-CD1 4.49Å; L607-F611 HydrophobicContact CD1-CE1 4.11Å; L607-F611 HydrophobicContact CD1-CE2 4.43Å; L607-F611 HydrophobicContact CD1-CZ 4.06Å; L607-F611 HydrophobicContact CG-CD2 4.48Å; L607-F611 HydrophobicContact CG-CE2 4.12Å; L607-F611 HydrophobicContact CG-CZ 4.2Å; L607-F611 WeakPolarHBondContact O-CB 3.32Å; L607-F611 WeakPolarHBondContact O-CG 3.41Å; L607-F611 PolarHBondContact O-N 3.07Å |
| 608 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 173.2 | -70.9 | 166.3 | 0 | 0 | 0 | 111.7 | W594 V604 F605 F611 S612 M636 I664 L668 | W594-L608 HydrophobicContact CH2-CD2 3.45Å; W594-L608 VanDerWaalsContact CH2-CD2 3.45Å; W594-L608 HydrophobicContact CH2-CG 4.4Å; W594-L608 HydrophobicContact CZ3-CD2 3.51Å; W594-L608 HydrophobicContact CZ3-CG 4.01Å; V604-L608 HydrophobicContact CG1-CD1 3.97Å; V604-L608 HydrophobicContact CG2-CD1 4.39Å; V604-L608 HydrophobicContact CG2-CG 4.3Å; V604-L608 WeakPolarHBondContact O-CG 3.37Å; V604-L608 PolarHBondContact O-N 3.34Å; F605-L608 HydrophobicContact CD1-CD1 4.48Å; F605-L608 WeakPolarHBondContact O-CB 3.45Å; F605-L608 PolarHBondContact O-N 3.27Å; L608-F611 PolarHBondContact O-N 3.01Å; L608-S612 PolarHBondContact O-N 3.42Å; L608-S612 PolarHBondContact O-OG 3.24Å; L608-M636 HydrophobicContact CD1-CE 3.94Å; L608-I664 HydrophobicContact CB-CD1 4.01Å; L608-I664 HydrophobicContact CB-CG1 3.8Å; L608-I664 HydrophobicContact CD1-CB 4.3Å; L608-I664 HydrophobicContact CD1-CD1 4.12Å; L608-I664 HydrophobicContact CD1-CG1 3.83Å; L608-I664 HydrophobicContact CD1-CG2 3.62Å; L608-I664 HydrophobicContact CG-CG1 4.46Å; L608-L668 HydrophobicContact CB-CD2 4.28Å; L608-L668 HydrophobicContact CD2-CB 4.43Å; L608-L668 HydrophobicContact CD2-CD2 3.27Å; L608-L668 HydrophobicContact CD2-CG 4.46Å; L608-L668 HydrophobicContact CG-CD2 4.37Å |
| 609 | E | 94 | Very high | 92.5 | Very high | 113 Ų | 113 | 35.3 Ų | 35.3 | 53% | 0.528 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.1 | -49.7 | 173.8 | -74.5 | 164.1 | 178.5 | 0 | 0 | 110.2 | F605 F611 S612 S613 I664 | F605-E609 PolarHBondContact O-N 3.04Å; E609-F611 VanDerWaalsContact C-N 3.31Å; E609-F611 PolarHBondContact O-N 3Å; E609-S612 WeakPolarHBondContact O-CA 3.41Å; E609-S612 VanDerWaalsContact O-CB 3.27Å; E609-S612 WeakPolarHBondContact O-CB 3.48Å; E609-S612 PolarHBondContact O-N 2.97Å; E609-S613 PolarHBondContact O-N 2.92Å; E609-I664 HydrophobicContact CG-CD1 4.05Å |
| 610 | C | 97 | Very high | 93.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.1 | -43.6 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | Y563 S606 S612 S613 L614 | Y563-C610 PolarHBondContact O-SG 3.5Å; Y563-C610 VanDerWaalsContact O-SG 3.34Å; S606-C610 VanDerWaalsContact O-CB 3.3Å; S606-C610 WeakPolarHBondContact O-CB 3.34Å; S606-C610 PolarHBondContact O-N 3.1Å; S606-C610 VanDerWaalsContact O-N 3.09Å; C610-S612 VanDerWaalsContact C-N 3.29Å; C610-S612 PolarHBondContact O-N 3.35Å; C610-S613 PolarHBondContact O-N 2.65Å; C610-L614 WeakPolarHBondContact O-CB 2.89Å; C610-L614 WeakPolarHBondContact O-CD1 3.49Å; C610-L614 VanDerWaalsContact O-CG 3.24Å; C610-L614 WeakPolarHBondContact O-CG 3.18Å; C610-L614 PolarHBondContact O-N 3.24Å |
| 611 | F | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.8 | -29.4 | 175.1 | -76.1 | -20.2 | 0 | 0 | 0 | 113.8 | M587 L590 I591 W594 L607 L608 E609 L614 V615 F622 V629 L668 | M587-F611 HydrophobicContact CE-CD1 4.32Å; M587-F611 HydrophobicContact CE-CE1 3.81Å; M587-F611 HydrophobicContact CE-CZ 4.49Å; L590-F611 HydrophobicContact CB-CE1 3.7Å; L590-F611 HydrophobicContact CB-CZ 4.07Å; L590-F611 HydrophobicContact CD1-CE1 4.09Å; L590-F611 HydrophobicContact CG-CE1 4.49Å; I591-F611 HydrophobicContact CD1-CZ 4.04Å; W594-F611 HydrophobicContact CB-CE2 4.24Å; W594-F611 HydrophobicContact CB-CZ 4.29Å; W594-F611 AromaticContact CD2-CE2 3.74Å; W594-F611 HydrophobicContact CD2-CE2 3.74Å; W594-F611 HydrophobicContact CE3-CD2 4.18Å; W594-F611 AromaticContact CE3-CE2 3.62Å; W594-F611 HydrophobicContact CE3-CE2 3.62Å; W594-F611 HydrophobicContact CG-CE2 4.08Å; W594-F611 HydrophobicContact CZ3-CD2 4.25Å; W594-F611 HydrophobicContact CZ3-CE2 4.13Å; L607-F611 HydrophobicContact CD1-CD1 4.49Å; L607-F611 HydrophobicContact CD1-CE1 4.11Å; L607-F611 HydrophobicContact CD1-CE2 4.43Å; L607-F611 HydrophobicContact CD1-CZ 4.06Å; L607-F611 HydrophobicContact CG-CD2 4.48Å; L607-F611 HydrophobicContact CG-CE2 4.12Å; L607-F611 HydrophobicContact CG-CZ 4.2Å; L607-F611 WeakPolarHBondContact O-CB 3.32Å; L607-F611 WeakPolarHBondContact O-CG 3.41Å; L607-F611 PolarHBondContact O-N 3.07Å; L608-F611 PolarHBondContact O-N 3.01Å; E609-F611 VanDerWaalsContact C-N 3.31Å; E609-F611 PolarHBondContact O-N 3Å; F611-L614 HydrophobicContact CD1-CD1 4.11Å; F611-L614 PolarHBondContact O-N 2.59Å; F611-V615 WeakPolarHBondContact O-CG1 3.38Å; F611-V615 PolarHBondContact O-N 3.04Å; F611-F622 HydrophobicContact CD1-CE2 4.27Å; F611-F622 HydrophobicContact CD1-CZ 4.24Å; F611-F622 HydrophobicContact CG-CZ 4.35Å; F611-V629 HydrophobicContact CD2-CG1 3.96Å; F611-V629 HydrophobicContact CD2-CG2 4.14Å; F611-V629 HydrophobicContact CE2-CG1 4.49Å; F611-V629 HydrophobicContact CE2-CG2 3.94Å; F611-L668 HydrophobicContact CB-CD1 3.86Å; F611-L668 HydrophobicContact CB-CD2 3.97Å; F611-L668 HydrophobicContact CD2-CD2 4.39Å |
| 612 | S | 98 | Very high | 94.8 | Very high | 21 Ų | 21 | 31.7 Ų | 31.7 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -48.5 | 177.2 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | L608 E609 C610 V615 I616 L668 | L608-S612 PolarHBondContact O-N 3.42Å; L608-S612 PolarHBondContact O-OG 3.24Å; E609-S612 WeakPolarHBondContact O-CA 3.41Å; E609-S612 VanDerWaalsContact O-CB 3.27Å; E609-S612 WeakPolarHBondContact O-CB 3.48Å; E609-S612 PolarHBondContact O-N 2.97Å; C610-S612 VanDerWaalsContact C-N 3.29Å; C610-S612 PolarHBondContact O-N 3.35Å; S612-V615 WeakPolarHBondContact O-CG1 3.48Å; S612-I616 WeakPolarHBondContact O-CG1 3.3Å; S612-L668 WeakPolarHBondContact OG-CD1 3.46Å |
| 613 | S | 98.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.1 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | G567 D571 E609 C610 V615 I616 A617 | G567-S613 WeakPolarHBondContact O-CB 3.29Å; D571-S613 WeakPolarHBondContact OD1-CB 3.4Å; D571-S613 PolarHBondContact OD1-OG 3.24Å; D571-S613 VanDerWaalsContact OD2-CB 3.3Å; D571-S613 WeakPolarHBondContact OD2-CB 3.46Å; D571-S613 PolarHBondContact OD2-OG 3.4Å; E609-S613 PolarHBondContact O-N 2.92Å; C610-S613 PolarHBondContact O-N 2.65Å; S613-V615 PolarHBondContact O-N 3.22Å; S613-I616 PolarHBondContact O-N 2.66Å; S613-A617 WeakPolarHBondContact O-CB 3.46Å; S613-A617 PolarHBondContact O-N 3.23Å |
| 614 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | -177.3 | -72.7 | 166.7 | 0 | 0 | 0 | 113.4 | I566 A570 L577 M587 L590 C610 F611 I616 A617 M618 F622 | I566-L614 HydrophobicContact CG2-CD1 3.96Å; I566-L614 HydrophobicContact CG2-CD2 3.92Å; I566-L614 HydrophobicContact CG2-CG 4.26Å; A570-L614 HydrophobicContact CB-CD2 3.88Å; A570-L614 HydrophobicContact CB-CG 4.31Å; L577-L614 HydrophobicContact CD1-CD2 4.32Å; M587-L614 HydrophobicContact SD-CD1 4.25Å; L590-L614 HydrophobicContact CD1-CD1 3.39Å; C610-L614 WeakPolarHBondContact O-CB 2.89Å; C610-L614 WeakPolarHBondContact O-CD1 3.49Å; C610-L614 VanDerWaalsContact O-CG 3.24Å; C610-L614 WeakPolarHBondContact O-CG 3.18Å; C610-L614 PolarHBondContact O-N 3.24Å; F611-L614 HydrophobicContact CD1-CD1 4.11Å; F611-L614 PolarHBondContact O-N 2.59Å; L614-I616 VanDerWaalsContact C-N 3.34Å; L614-A617 PolarHBondContact O-N 3.42Å; L614-M618 HydrophobicContact CD2-CE 3.79Å; L614-M618 WeakPolarHBondContact O-CB 3.46Å; L614-M618 VanDerWaalsContact O-CG 3.3Å; L614-M618 WeakPolarHBondContact O-CG 3.42Å; L614-M618 PolarHBondContact O-N 3.06Å; L614-F622 HydrophobicContact CB-CE2 4.29Å |
| 615 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 179.5 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | F611 S612 S613 Q619 F622 S671 L672 L676 | F611-V615 WeakPolarHBondContact O-CG1 3.38Å; F611-V615 PolarHBondContact O-N 3.04Å; S612-V615 WeakPolarHBondContact O-CG1 3.48Å; S613-V615 PolarHBondContact O-N 3.22Å; V615-Q619 WeakPolarHBondContact O-CA 3.31Å; V615-Q619 PolarHBondContact O-N 2.95Å; V615-F622 HydrophobicContact CB-CD1 4.27Å; V615-F622 HydrophobicContact CB-CD2 4.29Å; V615-F622 HydrophobicContact CB-CG 4.17Å; V615-F622 HydrophobicContact CG2-CB 4.24Å; V615-F622 HydrophobicContact CG2-CD1 4.08Å; V615-F622 HydrophobicContact CG2-CG 4.13Å; V615-S671 WeakPolarHBondContact CG1-O 3.25Å; V615-L672 HydrophobicContact CB-CD2 4.24Å; V615-L672 HydrophobicContact CG1-CD2 4.38Å; V615-L672 HydrophobicContact CG2-CD2 3.98Å; V615-L676 HydrophobicContact CG2-CD1 4.16Å; V615-L676 HydrophobicContact CG2-CD2 4.26Å; V615-L676 HydrophobicContact CG2-CG 3.79Å |
| 616 | I | 98.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 30% | 0.297 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66 | -45.8 | 175.3 | -60.5 | -58.8 | 0 | 0 | 0 | 110.6 | S612 S613 L614 Q619 E674 | S612-I616 WeakPolarHBondContact O-CG1 3.3Å; S613-I616 PolarHBondContact O-N 2.66Å; L614-I616 VanDerWaalsContact C-N 3.34Å; I616-Q619 WeakPolarHBondContact O-CG 3.43Å; I616-E674 HydrophobicContact CD1-CB 3.78Å; I616-E674 HydrophobicContact CD1-CG 3.74Å |
| 617 | A | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A570 G574 S575 L577 S613 L614 | A570-A617 HydrophobicContact CB-CB 3.79Å; A570-A617 WeakPolarHBondContact O-CB 3.24Å; G574-A617 WeakPolarHBondContact O-CB 3.31Å; S575-A617 VanDerWaalsContact CA-O 3.31Å; S575-A617 WeakPolarHBondContact CA-O 3.43Å; L577-A617 HydrophobicContact CB-CB 4.4Å; L577-A617 HydrophobicContact CD1-CB 4.44Å; S613-A617 WeakPolarHBondContact O-CB 3.46Å; S613-A617 PolarHBondContact O-N 3.23Å; L614-A617 PolarHBondContact O-N 3.42Å |
| 618 | M | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -83.1 | -19.9 | -176 | -65.3 | -178.1 | 170.9 | 0 | 0 | 113.5 | L577 N578 I583 L586 M587 L614 N620 G621 F622 | L577-M618 HydrophobicContact CB-CG 4.43Å; N578-M618 WeakPolarHBondContact CB-O 3.49Å; N578-M618 PolarHBondContact ND2-O 3.42Å; N578-M618 VanDerWaalsContact ND2-O 3.1Å; N578-M618 PolarHBondContact OD1-O 3.34Å; N578-M618 VanDerWaalsContact OD1-O 3.11Å; I583-M618 HydrophobicContact CG1-CE 4.04Å; I583-M618 HydrophobicContact CG1-CG 4.18Å; I583-M618 HydrophobicContact CG1-SD 3.82Å; L586-M618 HydrophobicContact CD1-CE 4.09Å; M587-M618 HydrophobicContact CG-CE 4.18Å; M587-M618 HydrophobicContact CG-SD 3.91Å; M587-M618 HydrophobicContact SD-CE 4.27Å; M587-M618 HydrophobicContact SD-SD 3.95Å; L614-M618 HydrophobicContact CD2-CE 3.79Å; L614-M618 WeakPolarHBondContact O-CB 3.46Å; L614-M618 VanDerWaalsContact O-CG 3.3Å; L614-M618 WeakPolarHBondContact O-CG 3.42Å; L614-M618 PolarHBondContact O-N 3.06Å; M618-N620 PolarHBondContact O-N 3.4Å; M618-G621 WeakPolarHBondContact O-CA 3.43Å; M618-G621 PolarHBondContact O-N 2.95Å; M618-F622 HydrophobicContact CB-CB 4.17Å; M618-F622 HydrophobicContact SD-CD2 4.17Å |
| 619 | Q | 96.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 38.2 Ų | 38.2 | 41% | 0.407 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | 48.4 | -131.4 | -178.7 | -55.1 | 174.5 | -9.5 | 0 | 0 | 111.1 | V615 I616 G621 F622 G675 L676 | V615-Q619 WeakPolarHBondContact O-CA 3.31Å; V615-Q619 PolarHBondContact O-N 2.95Å; I616-Q619 WeakPolarHBondContact O-CG 3.43Å; Q619-G621 PolarHBondContact O-N 2.93Å; Q619-F622 WeakPolarHBondContact O-CB 3.25Å; Q619-F622 PolarHBondContact O-N 3.17Å; Q619-G675 WeakPolarHBondContact CA-O 3.44Å; Q619-L676 WeakPolarHBondContact O-CD2 3.18Å |
| 620 | N | 96.5 | Very high | 97.4 | Very high | 97 Ų | 97 | 32.8 Ų | 32.8 | 52% | 0.519 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -56 | -19.3 | 177.7 | -72 | -38.2 | 0 | 0 | 0 | 114.8 | M618 F622 L623 | M618-N620 PolarHBondContact O-N 3.4Å; N620-F622 PolarHBondContact O-N 2.8Å; N620-L623 HydrophobicContact CB-CD1 4.03Å; N620-L623 WeakPolarHBondContact O-CB 3.08Å; N620-L623 WeakPolarHBondContact O-CD1 3.46Å; N620-L623 VanDerWaalsContact O-CG 3.31Å; N620-L623 WeakPolarHBondContact O-CG 3.11Å; N620-L623 PolarHBondContact O-N 2.89Å |
| 621 | G | 97.5 | Very high | 97.3 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 17% | 0.165 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | M618 Q619 P624 | M618-G621 WeakPolarHBondContact O-CA 3.43Å; M618-G621 PolarHBondContact O-N 2.95Å; Q619-G621 PolarHBondContact O-N 2.93Å; G621-P624 WeakPolarHBondContact O-CD 3.48Å |
| 622 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -81.7 | -10.8 | 178.8 | -161.9 | -84 | 0 | 0 | 0 | 113.4 | M587 F611 L614 V615 M618 Q619 N620 P624 Y625 G626 V629 L672 L676 | M587-F622 HydrophobicContact CE-CD2 3.83Å; M587-F622 HydrophobicContact CE-CE2 3.19Å; M587-F622 HydrophobicContact CE-CZ 3.68Å; M587-F622 HydrophobicContact SD-CD2 4.04Å; M587-F622 HydrophobicContact SD-CE2 3.75Å; F611-F622 HydrophobicContact CD1-CE2 4.27Å; F611-F622 HydrophobicContact CD1-CZ 4.24Å; F611-F622 HydrophobicContact CG-CZ 4.35Å; L614-F622 HydrophobicContact CB-CE2 4.29Å; V615-F622 HydrophobicContact CB-CD1 4.27Å; V615-F622 HydrophobicContact CB-CD2 4.29Å; V615-F622 HydrophobicContact CB-CG 4.17Å; V615-F622 HydrophobicContact CG2-CB 4.24Å; V615-F622 HydrophobicContact CG2-CD1 4.08Å; V615-F622 HydrophobicContact CG2-CG 4.13Å; M618-F622 HydrophobicContact CB-CB 4.17Å; M618-F622 HydrophobicContact SD-CD2 4.17Å; Q619-F622 WeakPolarHBondContact O-CB 3.25Å; Q619-F622 PolarHBondContact O-N 3.17Å; N620-F622 PolarHBondContact O-N 2.8Å; F622-P624 VanDerWaalsContact C-N 3.34Å; F622-P624 VanDerWaalsContact O-N 3.12Å; F622-Y625 WeakPolarHBondContact O-CA 3.28Å; F622-Y625 PolarHBondContact O-N 3.39Å; F622-G626 PolarHBondContact O-N 3.22Å; F622-G626 VanDerWaalsContact O-N 3.13Å; F622-V629 HydrophobicContact CE1-CG2 4.31Å; F622-V629 HydrophobicContact CZ-CG2 4.29Å; F622-L672 HydrophobicContact CD1-CD2 4.22Å; F622-L672 HydrophobicContact CE1-CD2 3.81Å; F622-L676 HydrophobicContact CB-CD2 4.25Å; F622-L676 HydrophobicContact CD1-CD1 4.41Å |
| 623 | L | 96.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 34.5 Ų | 34.5 | 38% | 0.377 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -48.2 | -41.9 | -176.2 | -78 | 171.2 | 0 | 0 | 0 | 115.5 | N620 Y625 G626 L676 A679 | N620-L623 HydrophobicContact CB-CD1 4.03Å; N620-L623 WeakPolarHBondContact O-CB 3.08Å; N620-L623 WeakPolarHBondContact O-CD1 3.46Å; N620-L623 VanDerWaalsContact O-CG 3.31Å; N620-L623 WeakPolarHBondContact O-CG 3.11Å; N620-L623 PolarHBondContact O-N 2.89Å; L623-Y625 PolarHBondContact O-N 3.03Å; L623-Y625 VanDerWaalsContact O-N 3.09Å; L623-G626 PolarHBondContact O-N 3.49Å; L623-G626 VanDerWaalsContact O-N 3.16Å; L623-L676 HydrophobicContact CD2-CB 4.39Å; L623-L676 HydrophobicContact CD2-CD1 4.3Å; L623-L676 HydrophobicContact CD2-CD2 3.86Å; L623-L676 HydrophobicContact CD2-CG 4.43Å; L623-L676 HydrophobicContact CG-CD2 3.94Å; L623-A679 HydrophobicContact CD2-CB 3.69Å |
| 624 | P | 96.5 | Very high | 97 | Very high | 98 Ų | 98 | 33.9 Ų | 33.9 | 64% | 0.636 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -60.2 | -20.8 | 178.3 | -24.1 | 35.8 | 0 | 0 | 0 | 114.2 | G621 F622 | G621-P624 WeakPolarHBondContact O-CD 3.48Å; F622-P624 VanDerWaalsContact C-N 3.34Å; F622-P624 VanDerWaalsContact O-N 3.12Å |
| 625 | Y | 96.9 | Very high | 96.8 | Very high | 42 Ų | 42 | 38 Ų | 38 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -106.6 | -12.1 | -178.1 | -47.7 | -71.9 | 0 | 0 | 0 | 112.6 | I583 M587 I591 F622 L623 P628 V629 | I583-Y625 HydrophobicContact CG2-CE2 3.79Å; M587-Y625 HydrophobicContact CB-CD1 4.3Å; M587-Y625 HydrophobicContact CB-CD2 3.86Å; M587-Y625 HydrophobicContact CB-CE1 3.83Å; M587-Y625 HydrophobicContact CB-CE2 3.37Å; M587-Y625 HydrophobicContact CB-CG 4.3Å; M587-Y625 HydrophobicContact CE-CD1 4.43Å; M587-Y625 HydrophobicContact CE-CD2 3.9Å; M587-Y625 HydrophobicContact CE-CG 3.84Å; M587-Y625 HydrophobicContact CG-CD2 3.85Å; M587-Y625 HydrophobicContact CG-CE2 3.62Å; I591-Y625 HydrophobicContact CD1-CD1 4.18Å; I591-Y625 HydrophobicContact CG1-CD1 3.71Å; I591-Y625 HydrophobicContact CG1-CE1 4.26Å; I591-Y625 HydrophobicContact CG1-CG 4.41Å; F622-Y625 WeakPolarHBondContact O-CA 3.28Å; F622-Y625 PolarHBondContact O-N 3.39Å; L623-Y625 PolarHBondContact O-N 3.03Å; L623-Y625 VanDerWaalsContact O-N 3.09Å; Y625-P628 WeakPolarHBondContact O-CD 3.29Å; Y625-V629 VanDerWaalsContact O-CG2 3.3Å; Y625-V629 WeakPolarHBondContact O-CG2 3.17Å; Y625-V629 PolarHBondContact O-N 3.25Å |
| 626 | G | 95.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.1 | -51.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F622 L623 V629 F630 | F622-G626 PolarHBondContact O-N 3.22Å; F622-G626 VanDerWaalsContact O-N 3.13Å; L623-G626 PolarHBondContact O-N 3.49Å; L623-G626 VanDerWaalsContact O-N 3.16Å; G626-V629 PolarHBondContact O-N 3.42Å; G626-F630 WeakPolarHBondContact O-CB 3.44Å; G626-F630 PolarHBondContact O-N 3.09Å |
| 627 | E | 96.3 | Very high | 96.3 | Very high | 109 Ų | 109 | 35.2 Ų | 35.2 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.8 | -48.2 | -177.1 | 175.4 | 176.5 | -167.1 | 0 | 0 | 113.5 | V629 S631 L683 | E627-V629 PolarHBondContact O-N 2.97Å; E627-S631 VanDerWaalsContact O-CB 3.24Å; E627-S631 WeakPolarHBondContact O-CB 3.48Å; E627-S631 PolarHBondContact O-N 2.8Å; E627-S631 PolarHBondContact O-OG 2.84Å; E627-L683 HydrophobicContact CB-CD2 3.88Å; E627-L683 HydrophobicContact CG-CD1 3.96Å; E627-L683 HydrophobicContact CG-CD2 4Å |
| 628 | P | 95.4 | Very high | 96 | Very high | 67 Ų | 67 | 39 Ų | 39 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.3 | -42 | 175.8 | -27.2 | 34.4 | 0 | 0 | 0 | 114.2 | Y625 R632 | Y625-P628 WeakPolarHBondContact O-CD 3.29Å; P628-R632 PolarHBondContact O-N 3.29Å |
| 629 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.6 | -49 | -178.9 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | I591 W594 F611 F622 Y625 G626 E627 S631 R632 C633 L668 L672 | I591-V629 HydrophobicContact CD1-CG2 4.1Å; W594-V629 HydrophobicContact CH2-CG1 4.42Å; W594-V629 HydrophobicContact CZ2-CB 4.44Å; W594-V629 HydrophobicContact CZ2-CG1 4.15Å; W594-V629 HydrophobicContact CZ2-CG2 4.49Å; F611-V629 HydrophobicContact CD2-CG1 3.96Å; F611-V629 HydrophobicContact CD2-CG2 4.14Å; F611-V629 HydrophobicContact CE2-CG1 4.49Å; F611-V629 HydrophobicContact CE2-CG2 3.94Å; F622-V629 HydrophobicContact CE1-CG2 4.31Å; F622-V629 HydrophobicContact CZ-CG2 4.29Å; Y625-V629 VanDerWaalsContact O-CG2 3.3Å; Y625-V629 WeakPolarHBondContact O-CG2 3.17Å; Y625-V629 PolarHBondContact O-N 3.25Å; G626-V629 PolarHBondContact O-N 3.42Å; E627-V629 PolarHBondContact O-N 2.97Å; V629-S631 VanDerWaalsContact C-N 3.31Å; V629-S631 PolarHBondContact O-N 3.39Å; V629-R632 PolarHBondContact O-N 3.16Å; V629-C633 PolarHBondContact O-N 3.19Å; V629-C633 VanDerWaalsContact O-N 3.09Å; V629-C633 PolarHBondContact O-SG 3.29Å; V629-L668 HydrophobicContact CG1-CD2 3.58Å; V629-L668 HydrophobicContact CG1-CG 4.35Å; V629-L672 HydrophobicContact CG1-CD1 4.11Å; V629-L672 HydrophobicContact CG1-CD2 4.49Å |
| 630 | F | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.5 | -45.6 | 177.4 | -165.8 | -80.7 | 0 | 0 | 0 | 111.6 | G626 R632 C633 V634 L669 L672 I673 L680 L683 A684 M687 V689 | G626-F630 WeakPolarHBondContact O-CB 3.44Å; G626-F630 PolarHBondContact O-N 3.09Å; F630-R632 VanDerWaalsContact C-N 3.28Å; F630-R632 PolarHBondContact O-N 2.9Å; F630-C633 PolarHBondContact O-N 3.07Å; F630-V634 HydrophobicContact CD1-CG2 4.08Å; F630-V634 HydrophobicContact CE1-CG2 3.93Å; F630-V634 PolarHBondContact O-N 3.25Å; F630-V634 VanDerWaalsContact O-N 3.1Å; F630-L669 HydrophobicContact CB-CD2 4.49Å; F630-L669 HydrophobicContact CD1-CD2 3.95Å; F630-L669 HydrophobicContact CD2-CD2 3.46Å; F630-L669 VanDerWaalsContact CD2-CD2 3.46Å; F630-L669 HydrophobicContact CE1-CD2 3.96Å; F630-L669 HydrophobicContact CE2-CD2 3.48Å; F630-L669 VanDerWaalsContact CE2-CD2 3.48Å; F630-L669 HydrophobicContact CG-CD2 3.71Å; F630-L669 HydrophobicContact CZ-CD2 3.74Å; F630-L672 HydrophobicContact CB-CD1 3.99Å; F630-L672 HydrophobicContact CD2-CB 4.21Å; F630-L672 HydrophobicContact CD2-CD1 3.84Å; F630-L672 HydrophobicContact CG-CD1 4.35Å; F630-I673 HydrophobicContact CE2-CD1 3.84Å; F630-I673 HydrophobicContact CE2-CG1 4.21Å; F630-I673 HydrophobicContact CZ-CD1 4.36Å; F630-L680 HydrophobicContact CD2-CD1 3.82Å; F630-L680 HydrophobicContact CE2-CD1 3.98Å; F630-L683 HydrophobicContact CB-CD2 3.82Å; F630-L683 HydrophobicContact CD1-CD2 3.77Å; F630-L683 HydrophobicContact CD1-CG 3.98Å; F630-L683 HydrophobicContact CE1-CG 4.34Å; F630-L683 HydrophobicContact CG-CD2 3.82Å; F630-L683 HydrophobicContact CG-CG 4.5Å; F630-A684 HydrophobicContact CE1-CB 4.33Å; F630-A684 HydrophobicContact CZ-CB 3.75Å; F630-M687 HydrophobicContact CD1-SD 3.8Å; F630-M687 HydrophobicContact CE1-SD 4.19Å; F630-V689 HydrophobicContact CE1-CG2 3.76Å; F630-V689 HydrophobicContact CZ-CG2 3.78Å |
| 631 | S | 96.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -35.8 | -176.9 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | E627 V629 K635 | E627-S631 VanDerWaalsContact O-CB 3.24Å; E627-S631 WeakPolarHBondContact O-CB 3.48Å; E627-S631 PolarHBondContact O-N 2.8Å; E627-S631 PolarHBondContact O-OG 2.84Å; V629-S631 VanDerWaalsContact C-N 3.31Å; V629-S631 PolarHBondContact O-N 3.39Å; S631-K635 PolarHBondContact O-N 3.33Å; S631-K635 VanDerWaalsContact O-N 3.12Å |
| 632 | R | 95.5 | Very high | 93 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.2 | -34.7 | 178.6 | -179.7 | 164.8 | -177.1 | -164.5 | 15.1 | 112 | W594 L597 D599 P628 V629 F630 V634 K635 M636 | W594-R632 HydrophobicContact CH2-CG 4.26Å; W594-R632 HydrophobicContact CZ2-CB 3.73Å; W594-R632 VanDerWaalsContact CZ2-CD 3.41Å; W594-R632 HydrophobicContact CZ2-CG 3.75Å; W594-R632 PolarHBondContact O-NH1 3.14Å; L597-R632 PolarHBondContact O-NH2 2.85Å; D599-R632 IonicContact OD1-CZ 3.79Å; D599-R632 IonicContact OD1-NE 3.28Å; D599-R632 PolarHBondContact OD1-NE 3.07Å; D599-R632 IonicContact OD1-NH2 3.09Å; D599-R632 PolarHBondContact OD1-NH2 3.02Å; P628-R632 PolarHBondContact O-N 3.29Å; V629-R632 PolarHBondContact O-N 3.16Å; F630-R632 VanDerWaalsContact C-N 3.28Å; F630-R632 PolarHBondContact O-N 2.9Å; R632-V634 PolarHBondContact O-N 3.41Å; R632-K635 WeakPolarHBondContact O-CB 3.34Å; R632-K635 PolarHBondContact O-N 3.32Å; R632-M636 HydrophobicContact CG-CG 4.39Å; R632-M636 HydrophobicContact CG-SD 4.11Å; R632-M636 VanDerWaalsContact O-CG 3.23Å; R632-M636 WeakPolarHBondContact O-CG 3.41Å; R632-M636 PolarHBondContact O-N 2.97Å |
| 633 | C | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 171.9 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | V629 F630 K635 M636 I637 A665 L669 | V629-C633 PolarHBondContact O-N 3.19Å; V629-C633 VanDerWaalsContact O-N 3.09Å; V629-C633 PolarHBondContact O-SG 3.29Å; F630-C633 PolarHBondContact O-N 3.07Å; C633-K635 VanDerWaalsContact C-N 3.33Å; C633-K635 PolarHBondContact O-N 3.4Å; C633-M636 PolarHBondContact O-N 3.17Å; C633-I637 WeakPolarHBondContact O-CG1 3.37Å; C633-I637 PolarHBondContact O-N 2.94Å; C633-A665 HydrophobicContact CB-CB 4.21Å; C633-L669 HydrophobicContact CB-CD1 4.29Å; C633-L669 HydrophobicContact CB-CD2 3.75Å; C633-L669 HydrophobicContact CB-CG 3.72Å |
| 634 | V | 96.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 173.8 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | F630 R632 M636 I637 E638 L669 M687 V689 L692 | F630-V634 HydrophobicContact CD1-CG2 4.08Å; F630-V634 HydrophobicContact CE1-CG2 3.93Å; F630-V634 PolarHBondContact O-N 3.25Å; F630-V634 VanDerWaalsContact O-N 3.1Å; R632-V634 PolarHBondContact O-N 3.41Å; V634-M636 PolarHBondContact O-N 2.92Å; V634-I637 PolarHBondContact O-N 2.92Å; V634-E638 HydrophobicContact CG1-CG 4.46Å; V634-E638 WeakPolarHBondContact O-CG 3.35Å; V634-E638 PolarHBondContact O-N 3.16Å; V634-L669 HydrophobicContact CG2-CD1 4.28Å; V634-L669 HydrophobicContact CG2-CD2 4.35Å; V634-M687 HydrophobicContact CB-CE 3.79Å; V634-M687 HydrophobicContact CB-SD 4.3Å; V634-M687 HydrophobicContact CG1-CB 4.31Å; V634-M687 HydrophobicContact CG1-CE 3.74Å; V634-M687 HydrophobicContact CG2-CB 4.25Å; V634-M687 HydrophobicContact CG2-CE 4.18Å; V634-M687 HydrophobicContact CG2-SD 4.01Å; V634-V689 HydrophobicContact CG2-CG2 4.19Å; V634-L692 HydrophobicContact CB-CD1 4.45Å; V634-L692 HydrophobicContact CG1-CD1 4Å; V634-L692 HydrophobicContact CG2-CD1 4.4Å |
| 635 | K | 93.8 | Very high | 87.4 | Confident | 86 Ų | 86 | 41 Ų | 41 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.7 | -45 | 177.7 | -175.7 | -173 | 172.5 | -167 | 0 | 112.4 | D599 S631 R632 C633 I637 E638 E639 | D599-K635 VanDerWaalsContact OD2-CE 3.25Å; D599-K635 WeakPolarHBondContact OD2-CE 3.48Å; D599-K635 IonicContact OD2-NZ 3.38Å; D599-K635 PolarHBondContact OD2-NZ 3.39Å; S631-K635 PolarHBondContact O-N 3.33Å; S631-K635 VanDerWaalsContact O-N 3.12Å; R632-K635 WeakPolarHBondContact O-CB 3.34Å; R632-K635 PolarHBondContact O-N 3.32Å; C633-K635 VanDerWaalsContact C-N 3.33Å; C633-K635 PolarHBondContact O-N 3.4Å; K635-I637 VanDerWaalsContact C-N 3.33Å; K635-I637 PolarHBondContact O-N 3.11Å; K635-E638 PolarHBondContact O-N 3.25Å; K635-E639 WeakPolarHBondContact CE-OE1 3.27Å; K635-E639 HydrophobicContact CG-CG 4.44Å; K635-E639 IonicContact NZ-OE1 2.73Å; K635-E639 WeakPolarHBondContact O-CB 3.35Å; K635-E639 WeakPolarHBondContact O-CG 3.46Å; K635-E639 PolarHBondContact O-N 3.15Å |
| 636 | M | 92.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.9 | -71.1 | 168.9 | 69.9 | 0 | 0 | 111.6 | D599 V604 L608 R632 C633 V634 E639 N640 F661 A665 | D599-M636 HydrophobicContact CB-CG 4.39Å; V604-M636 HydrophobicContact CG1-CE 3.8Å; L608-M636 HydrophobicContact CD1-CE 3.94Å; R632-M636 HydrophobicContact CG-CG 4.39Å; R632-M636 HydrophobicContact CG-SD 4.11Å; R632-M636 VanDerWaalsContact O-CG 3.23Å; R632-M636 WeakPolarHBondContact O-CG 3.41Å; R632-M636 PolarHBondContact O-N 2.97Å; C633-M636 PolarHBondContact O-N 3.17Å; V634-M636 PolarHBondContact O-N 2.92Å; M636-E639 PolarHBondContact O-N 3.17Å; M636-N640 PolarHBondContact O-N 2.89Å; M636-N640 PolarHBondContact O-ND2 2.86Å; M636-F661 HydrophobicContact CE-CD1 3.55Å; M636-F661 HydrophobicContact CE-CE1 4.04Å; M636-A665 HydrophobicContact CB-CB 4.34Å |
| 637 | I | 93 | Very high | 83 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -52.5 | 174.4 | -66.7 | 165.6 | 0 | 0 | 0 | 109.8 | C633 V634 K635 E639 N640 M641 L662 A665 L666 L669 L692 T696 | C633-I637 WeakPolarHBondContact O-CG1 3.37Å; C633-I637 PolarHBondContact O-N 2.94Å; V634-I637 PolarHBondContact O-N 2.92Å; K635-I637 VanDerWaalsContact C-N 3.33Å; K635-I637 PolarHBondContact O-N 3.11Å; I637-E639 VanDerWaalsContact C-N 3.26Å; I637-E639 PolarHBondContact O-N 3.27Å; I637-N640 PolarHBondContact O-N 3.05Å; I637-N640 VanDerWaalsContact O-N 3.12Å; I637-M641 HydrophobicContact CG2-CE 3.47Å; I637-M641 VanDerWaalsContact CG2-CE 3.47Å; I637-M641 HydrophobicContact CG2-CG 4.5Å; I637-M641 VanDerWaalsContact O-CG 3.31Å; I637-M641 WeakPolarHBondContact O-CG 3.44Å; I637-M641 PolarHBondContact O-N 2.89Å; I637-L662 HydrophobicContact CB-CD2 4.37Å; I637-L662 HydrophobicContact CG2-CD2 4.08Å; I637-L662 WeakPolarHBondContact O-CD2 3.35Å; I637-A665 HydrophobicContact CD1-CB 4.01Å; I637-A665 HydrophobicContact CG1-CB 3.64Å; I637-L666 HydrophobicContact CD1-CD2 3.77Å; I637-L666 HydrophobicContact CD1-CG 3.89Å; I637-L666 HydrophobicContact CG1-CG 4.47Å; I637-L669 HydrophobicContact CD1-CD1 3.51Å; I637-L692 HydrophobicContact CB-CD1 4.27Å; I637-L692 HydrophobicContact CD1-CD1 4.42Å; I637-L692 HydrophobicContact CG2-CB 4.44Å; I637-L692 HydrophobicContact CG2-CD1 3.99Å; I637-L692 HydrophobicContact CG2-CD2 4.19Å; I637-L692 HydrophobicContact CG2-CG 4.45Å; I637-T696 HydrophobicContact CG2-CG2 4.37Å |
| 638 | E | 91.8 | Very high | 80.8 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.6 | -36.4 | -179.9 | -74.4 | -179.6 | 168.4 | 0 | 0 | 113.1 | V634 K635 K644 L692 | V634-E638 HydrophobicContact CG1-CG 4.46Å; V634-E638 WeakPolarHBondContact O-CG 3.35Å; V634-E638 PolarHBondContact O-N 3.16Å; K635-E638 PolarHBondContact O-N 3.25Å; E638-K644 VanDerWaalsContact C-NZ 3.29Å; E638-K644 WeakPolarHBondContact O-CD 3.47Å; E638-K644 WeakPolarHBondContact O-CE 3.21Å; E638-K644 PolarHBondContact O-NZ 3.18Å; E638-L692 HydrophobicContact CG-CD2 3.79Å |
| 639 | E | 88.2 | Confident | 78.4 | Confident | 92 Ų | 92 | 52.4 Ų | 52.4 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -74.4 | -25.2 | 179.8 | -74.2 | 179.8 | 167.6 | 0 | 0 | 113.4 | K635 M636 I637 | K635-E639 WeakPolarHBondContact CE-OE1 3.27Å; K635-E639 HydrophobicContact CG-CG 4.44Å; K635-E639 IonicContact NZ-OE1 2.73Å; K635-E639 WeakPolarHBondContact O-CB 3.35Å; K635-E639 WeakPolarHBondContact O-CG 3.46Å; K635-E639 PolarHBondContact O-N 3.15Å; M636-E639 PolarHBondContact O-N 3.17Å; I637-E639 VanDerWaalsContact C-N 3.26Å; I637-E639 PolarHBondContact O-N 3.27Å |
| 640 | N | 86.9 | Confident | 75.8 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -103.7 | 11.2 | -179.5 | -68.6 | -77.9 | 0 | 0 | 0 | 113.6 | M636 I637 I657 F661 L662 | M636-N640 PolarHBondContact O-N 2.89Å; M636-N640 PolarHBondContact O-ND2 2.86Å; I637-N640 PolarHBondContact O-N 3.05Å; I637-N640 VanDerWaalsContact O-N 3.12Å; N640-I657 WeakPolarHBondContact O-CG2 3.35Å; N640-F661 HydrophobicContact CB-CB 4.35Å; N640-L662 HydrophobicContact CB-CD2 3.69Å; N640-L662 HydrophobicContact CB-CG 4.14Å |
| 641 | M | 82.5 | Confident | 73 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.059 | 36% | 0.356 | C | S | . | . | trans | -73.8 | 138.1 | 177.1 | -82 | -76.9 | -174.2 | 0 | 0 | 113.1 | I637 E643 K644 L692 L695 T696 | I637-M641 HydrophobicContact CG2-CE 3.47Å; I637-M641 VanDerWaalsContact CG2-CE 3.47Å; I637-M641 HydrophobicContact CG2-CG 4.5Å; I637-M641 VanDerWaalsContact O-CG 3.31Å; I637-M641 WeakPolarHBondContact O-CG 3.44Å; I637-M641 PolarHBondContact O-N 2.89Å; M641-E643 VanDerWaalsContact C-N 3.26Å; M641-E643 PolarHBondContact O-N 3.24Å; M641-K644 PolarHBondContact O-N 3.01Å; M641-L692 HydrophobicContact CE-CB 4.39Å; M641-L692 HydrophobicContact CE-CD2 4.18Å; M641-L695 HydrophobicContact CE-CB 3.87Å; M641-L695 HydrophobicContact CE-CD1 4.12Å; M641-L695 HydrophobicContact SD-CB 3.83Å; M641-L695 HydrophobicContact SD-CD1 3.84Å; M641-T696 HydrophobicContact CE-CG2 3.22Å; M641-T696 HydrophobicContact SD-CG2 4.33Å | ||
| 642 | P | 68.5 | Low | 70.4 | Confident | 32 Ų | 32 | 67 Ų | 67 | 21% | 0.208 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.1 | -33.7 | 178.6 | -18.9 | 25.5 | 0 | 0 | 0 | 114.8 | K644 A645 I646 I657 | P642-K644 PolarHBondContact O-N 3.45Å; P642-A645 WeakPolarHBondContact O-CB 3.42Å; P642-A645 PolarHBondContact O-N 3.16Å; P642-I646 PolarHBondContact O-N 3.07Å; P642-I657 VanDerWaalsContact CA-CD1 3.42Å; P642-I657 HydrophobicContact CB-CD1 3.55Å; P642-I657 HydrophobicContact CG-CD1 3.81Å |
| 643 | E | 65.1 | Low | 67.9 | Low | 107 Ų | 107 | 70.1 Ų | 70.1 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -27.9 | -177.4 | -62.8 | -167.7 | 161.6 | 0 | 0 | 112.9 | M641 H647 L695 | M641-E643 VanDerWaalsContact C-N 3.26Å; M641-E643 PolarHBondContact O-N 3.24Å; E643-H647 PolarHBondContact O-ND1 2.62Å; E643-L695 VanDerWaalsContact OE1-CD2 3.24Å; E643-L695 WeakPolarHBondContact OE1-CD2 3.08Å |
| 644 | K | 57.1 | Low | 65.6 | Low | 101 Ų | 101 | 74.2 Ų | 74.2 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.3 | -34.5 | 173.2 | -78.6 | -168.7 | -174.6 | 161.1 | 0 | 112.3 | E638 M641 P642 I646 H647 T648 | E638-K644 VanDerWaalsContact C-NZ 3.29Å; E638-K644 WeakPolarHBondContact O-CD 3.47Å; E638-K644 WeakPolarHBondContact O-CE 3.21Å; E638-K644 PolarHBondContact O-NZ 3.18Å; M641-K644 PolarHBondContact O-N 3.01Å; P642-K644 PolarHBondContact O-N 3.45Å; K644-I646 VanDerWaalsContact C-N 3.32Å; K644-I646 PolarHBondContact O-N 2.76Å; K644-H647 PolarHBondContact O-N 2.8Å; K644-T648 PolarHBondContact O-N 2.73Å |
| 645 | A | 52.5 | Low | 63.3 | Low | 43 Ų | 43 | 81.2 Ų | 81.2 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -32.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P642 H647 T648 | P642-A645 WeakPolarHBondContact O-CB 3.42Å; P642-A645 PolarHBondContact O-N 3.16Å; A645-H647 VanDerWaalsContact C-N 3.31Å; A645-H647 PolarHBondContact O-N 3.37Å; A645-T648 PolarHBondContact O-OG1 2.91Å; A645-T648 VanDerWaalsContact O-OG1 3.1Å |
| 646 | I | 52.3 | Low | 61.5 | Low | 126 Ų | 126 | 87.7 Ų | 87.7 | 65% | 0.646 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.6 | -31.8 | 176.2 | -59.7 | 172.2 | 0 | 0 | 0 | 111.3 | P642 K644 | P642-I646 PolarHBondContact O-N 3.07Å; K644-I646 VanDerWaalsContact C-N 3.32Å; K644-I646 PolarHBondContact O-N 2.76Å |
| 647 | H | 48.5 | Very low | 60.4 | Low | 162 Ų | 162 | 88.9 Ų | 88.9 | 75% | 0.75 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -83.2 | -16.3 | -176.5 | -75.1 | 87.9 | 0 | 0 | 0 | 114.6 | E643 K644 A645 G649 | E643-H647 PolarHBondContact O-ND1 2.62Å; K644-H647 PolarHBondContact O-N 2.8Å; A645-H647 VanDerWaalsContact C-N 3.31Å; A645-H647 PolarHBondContact O-N 3.37Å; H647-G649 PolarHBondContact O-N 2.97Å |
| 648 | T | 49.7 | Very low | 59.7 | Low | 99 Ų | 99 | 90.8 Ų | 90.8 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -0.1 | -180 | 44.4 | 0 | 0 | 0 | 0 | 114.4 | K644 A645 T650 | K644-T648 PolarHBondContact O-N 2.73Å; A645-T648 PolarHBondContact O-OG1 2.91Å; A645-T648 VanDerWaalsContact O-OG1 3.1Å; T648-T650 PolarHBondContact O-N 2.88Å |
| 649 | G | 44 | Very low | 59.5 | Low | 73 Ų | 73 | 90.4 Ų | 90.4 | 75% | 0.753 | 50% | 0.501 | S | S | * | . | trans | 67.4 | -1.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | H647 G651 | H647-G649 PolarHBondContact O-N 2.97Å; G649-G651 PolarHBondContact O-N 3.09Å | ||
| 650 | T | 43 | Very low | 59.6 | Low | 86 Ų | 86 | 89.3 Ų | 89.3 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | trans | -84.2 | 107.1 | 168.6 | 50.2 | 0 | 0 | 0 | 0 | 106.8 | T648 E652 | T648-T650 PolarHBondContact O-N 2.88Å; T650-E652 PolarHBondContact O-N 3.15Å | ||
| 651 | G | 39.9 | Very low | 59.8 | Low | 93 Ų | 93 | 88.4 Ų | 88.4 | 96% | 0.959 | 49% | 0.494 | S | S | * | . | trans | -66.3 | 34 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G649 | G649-G651 PolarHBondContact O-N 3.09Š| ||
| 652 | E | 41.4 | Very low | 60.4 | Low | 162 Ų | 162 | 87.9 Ų | 87.9 | 76% | 0.757 | 49% | 0.491 | S | S | * | . | trans | -81.4 | 135.6 | 168.5 | -66.7 | -179.3 | 171.2 | 0 | 0 | 107.5 | T650 | T650-E652 PolarHBondContact O-N 3.15Š| ||
| 653 | S | 43 | Very low | 61.6 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | trans | -46.1 | 141.9 | -174.3 | 43.6 | 0 | 0 | 0 | 0 | 113.5 | D655 | S653-D655 PolarHBondContact O-N 3.16Š| ||
| 654 | V | 48.2 | Very low | 63 | Low | 86 Ų | 86 | 83.7 Ų | 83.7 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -58.3 | 2.4 | 178.8 | 179.4 | 0 | 0 | 0 | 0 | 114.2 | W656 I657 | V654-W656 PolarHBondContact O-N 2.79Å; V654-W656 VanDerWaalsContact O-N 3.09Å; V654-I657 HydrophobicContact CG1-CD1 3.91Å |
| 655 | D | 47.5 | Very low | 64.9 | Low | 149 Ų | 149 | 78.9 Ų | 78.9 | 80% | 0.797 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 15.8 | -172.8 | -67.7 | -31.1 | 0 | 0 | 0 | 115.2 | S653 | S653-D655 PolarHBondContact O-N 3.16Š|
| 656 | W | 55.7 | Low | 67 | Low | 222 Ų | 222 | 76.9 Ų | 76.9 | 84% | 0.841 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 7.7 | 175.8 | -157.1 | 77.3 | 0 | 0 | 0 | 114.7 | V654 D658 | V654-W656 PolarHBondContact O-N 2.79Å; V654-W656 VanDerWaalsContact O-N 3.09Å; W656-D658 PolarHBondContact O-N 2.94Å |
| 657 | I | 69.3 | Low | 69.2 | Low | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.128 | 42% | 0.417 | C | S | . | . | trans | -80.8 | 108.4 | 177.9 | -59.9 | 161.9 | 0 | 0 | 0 | 109.5 | N640 P642 V654 R659 | N640-I657 WeakPolarHBondContact O-CG2 3.35Å; P642-I657 VanDerWaalsContact CA-CD1 3.42Å; P642-I657 HydrophobicContact CB-CD1 3.55Å; P642-I657 HydrophobicContact CG-CD1 3.81Å; V654-I657 HydrophobicContact CG1-CD1 3.91Å; I657-R659 HydrophobicContact CG2-CG 4.2Å; I657-R659 PolarHBondContact O-N 2.73Å; I657-R659 VanDerWaalsContact O-N 3.1Å | ||
| 658 | D | 78.4 | Confident | 71.6 | Confident | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | trans | -77.2 | 92 | 172.7 | -166.8 | -11.9 | 0 | 0 | 0 | 109.5 | R602 W656 D660 F661 | R602-D658 IonicContact CZ-OD2 3.4Å; R602-D658 IonicContact NE-OD2 3.08Å; R602-D658 PolarHBondContact NE-OD2 3.4Å; R602-D658 VanDerWaalsContact NE-OD2 3.09Å; R602-D658 VanDerWaalsContact NH2-CG 3.26Å; R602-D658 IonicContact NH2-OD1 2.62Å; R602-D658 PolarHBondContact NH2-OD1 3.09Å; R602-D658 VanDerWaalsContact NH2-OD1 3.12Å; R602-D658 IonicContact NH2-OD2 2.8Å; R602-D658 PolarHBondContact NH2-OD2 2.98Å; W656-D658 PolarHBondContact O-N 2.94Å; D658-D660 PolarHBondContact O-N 3.08Å; D658-D660 VanDerWaalsContact OD1-CB 3.3Å; D658-D660 WeakPolarHBondContact OD1-CB 3.47Å; D658-D660 PolarHBondContact OD1-N 3.28Å; D658-F661 HydrophobicContact CB-CD2 3.84Å; D658-F661 HydrophobicContact CB-CE2 4.32Å; D658-F661 PolarHBondContact O-N 2.71Å; D658-F661 WeakPolarHBondContact OD2-CE2 3.32Å | ||
| 659 | R | 88.6 | Confident | 73.9 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 28% | 0.279 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.2 | -178.4 | -70.6 | -176.2 | 178.3 | 72 | 3.9 | 112.9 | I657 F661 L662 I663 D699 V704 | I657-R659 HydrophobicContact CG2-CG 4.2Å; I657-R659 PolarHBondContact O-N 2.73Å; I657-R659 VanDerWaalsContact O-N 3.1Å; R659-F661 PolarHBondContact O-N 2.8Å; R659-L662 HydrophobicContact CG-CD1 4.41Å; R659-L662 WeakPolarHBondContact O-CB 3.35Å; R659-L662 PolarHBondContact O-N 3.28Å; R659-I663 WeakPolarHBondContact O-CG1 3.49Å; R659-I663 PolarHBondContact O-N 2.75Å; R659-I663 VanDerWaalsContact O-N 3.09Å; R659-D699 IonicContact NE-OD1 3.34Å; R659-D699 PolarHBondContact NE-OD1 3.24Å; R659-V704 HydrophobicContact CB-CG2 4.04Å; R659-V704 HydrophobicContact CG-CG2 4.27Å |
| 660 | D | 90.2 | Very high | 76.5 | Confident | 69 Ų | 69 | 58.2 Ų | 58.2 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 177.7 | -57.9 | -22.3 | 0 | 0 | 0 | 110.1 | R602 F605 D658 L662 I663 I664 | R602-D660 IonicContact CZ-OD2 3.32Å; R602-D660 IonicContact NH1-OD2 3.65Å; R602-D660 IonicContact NH2-OD2 3.24Å; R602-D660 PolarHBondContact NH2-OD2 3.22Å; F605-D660 HydrophobicContact CE2-CB 3.58Å; F605-D660 HydrophobicContact CZ-CB 3.67Å; D658-D660 PolarHBondContact O-N 3.08Å; D658-D660 VanDerWaalsContact OD1-CB 3.3Å; D658-D660 WeakPolarHBondContact OD1-CB 3.47Å; D658-D660 PolarHBondContact OD1-N 3.28Å; D660-L662 VanDerWaalsContact C-N 3.3Å; D660-L662 PolarHBondContact O-N 3.1Å; D660-I663 PolarHBondContact O-N 3.01Å; D660-I664 VanDerWaalsContact O-CG2 3.26Å; D660-I664 WeakPolarHBondContact O-CG2 3.31Å; D660-I664 PolarHBondContact O-N 2.65Å; D660-I664 VanDerWaalsContact O-N 3.1Å |
| 661 | F | 91.5 | Very high | 79.1 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -32.8 | 174.9 | -77.8 | -84.2 | 0 | 0 | 0 | 113.4 | D599 N600 R602 V604 F605 M636 N640 D658 R659 A665 | D599-F661 WeakPolarHBondContact O-CE1 3.48Å; N600-F661 VanDerWaalsContact C-CZ 3.45Å; R602-F661 HydrophobicContact CG-CE2 4.21Å; R602-F661 HydrophobicContact CG-CZ 4.17Å; V604-F661 HydrophobicContact CG1-CE1 4.16Å; F605-F661 HydrophobicContact CD1-CE1 4.49Å; F605-F661 AromaticContact CE1-CD1 3.63Å; F605-F661 HydrophobicContact CE1-CD1 3.63Å; F605-F661 HydrophobicContact CE1-CD2 4.23Å; F605-F661 AromaticContact CE1-CE1 3.55Å; F605-F661 HydrophobicContact CE1-CE1 3.55Å; F605-F661 HydrophobicContact CE1-CE2 4.17Å; F605-F661 AromaticContact CE1-CG 3.97Å; F605-F661 HydrophobicContact CE1-CG 3.97Å; F605-F661 AromaticContact CE1-CZ 3.83Å; F605-F661 HydrophobicContact CE1-CZ 3.83Å; F605-F661 HydrophobicContact CZ-CD1 4.22Å; F605-F661 HydrophobicContact CZ-CD2 4.01Å; F605-F661 HydrophobicContact CZ-CE1 4.23Å; F605-F661 HydrophobicContact CZ-CE2 4.03Å; F605-F661 HydrophobicContact CZ-CG 4.1Å; F605-F661 HydrophobicContact CZ-CZ 4.13Å; M636-F661 HydrophobicContact CE-CD1 3.55Å; M636-F661 HydrophobicContact CE-CE1 4.04Å; N640-F661 HydrophobicContact CB-CB 4.35Å; D658-F661 HydrophobicContact CB-CD2 3.84Å; D658-F661 HydrophobicContact CB-CE2 4.32Å; D658-F661 PolarHBondContact O-N 2.71Å; D658-F661 WeakPolarHBondContact OD2-CE2 3.32Å; R659-F661 PolarHBondContact O-N 2.8Å; F661-A665 WeakPolarHBondContact O-CB 3.49Å; F661-A665 PolarHBondContact O-N 3.19Å |
| 662 | L | 93.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.9 | -48 | 176.6 | -60.6 | -179.8 | 0 | 0 | 0 | 110.3 | I637 N640 R659 D660 L666 V704 | I637-L662 HydrophobicContact CB-CD2 4.37Å; I637-L662 HydrophobicContact CG2-CD2 4.08Å; I637-L662 WeakPolarHBondContact O-CD2 3.35Å; N640-L662 HydrophobicContact CB-CD2 3.69Å; N640-L662 HydrophobicContact CB-CG 4.14Å; R659-L662 HydrophobicContact CG-CD1 4.41Å; R659-L662 WeakPolarHBondContact O-CB 3.35Å; R659-L662 PolarHBondContact O-N 3.28Å; D660-L662 VanDerWaalsContact C-N 3.3Å; D660-L662 PolarHBondContact O-N 3.1Å; L662-L666 WeakPolarHBondContact O-CB 3.32Å; L662-L666 WeakPolarHBondContact O-CD1 3.34Å; L662-L666 WeakPolarHBondContact O-CG 3.38Å; L662-L666 PolarHBondContact O-N 3.29Å; L662-V704 HydrophobicContact CB-CG1 4.49Å; L662-V704 HydrophobicContact CB-CG2 4.28Å; L662-V704 HydrophobicContact CD1-CG1 4.44Å; L662-V704 HydrophobicContact CD1-CG2 4.34Å |
| 663 | I | 95 | Very high | 84.7 | Confident | 37 Ų | 37 | 43 Ų | 43 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -58.2 | -176.9 | -66.1 | 164.3 | 0 | 0 | 0 | 109.7 | R659 D660 A665 L666 D667 E703 V704 | R659-I663 WeakPolarHBondContact O-CG1 3.49Å; R659-I663 PolarHBondContact O-N 2.75Å; R659-I663 VanDerWaalsContact O-N 3.09Å; D660-I663 PolarHBondContact O-N 3.01Å; I663-A665 VanDerWaalsContact C-N 3.33Å; I663-A665 PolarHBondContact O-N 3.14Å; I663-L666 WeakPolarHBondContact O-CB 3.49Å; I663-L666 PolarHBondContact O-N 3.4Å; I663-L666 VanDerWaalsContact O-N 3.12Å; I663-D667 WeakPolarHBondContact CG2-OD2 3.49Å; I663-D667 VanDerWaalsContact O-CG 3.3Å; I663-D667 PolarHBondContact O-N 3.39Å; I663-E703 HydrophobicContact CD1-CB 3.68Å; I663-E703 HydrophobicContact CG1-CB 4.34Å; I663-V704 HydrophobicContact CD1-CG2 4.34Å; I663-V704 HydrophobicContact CG1-CG2 3.87Å |
| 664 | I | 94.4 | Very high | 87.2 | Confident | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.1 | -32.1 | -173.5 | -162.7 | 160.5 | 0 | 0 | 0 | 113.5 | F605 L608 E609 D660 L668 | F605-I664 VanDerWaalsContact CA-CD1 3.5Å; F605-I664 HydrophobicContact CB-CD1 3.51Å; F605-I664 HydrophobicContact CD1-CD1 4.04Å; F605-I664 HydrophobicContact CD1-CG2 3.96Å; F605-I664 HydrophobicContact CD2-CD1 4.28Å; F605-I664 HydrophobicContact CE1-CG2 3.89Å; F605-I664 HydrophobicContact CG-CD1 3.71Å; F605-I664 HydrophobicContact CZ-CG2 4.42Å; F605-I664 WeakPolarHBondContact O-CD1 3.09Å; L608-I664 HydrophobicContact CB-CD1 4.01Å; L608-I664 HydrophobicContact CB-CG1 3.8Å; L608-I664 HydrophobicContact CD1-CB 4.3Å; L608-I664 HydrophobicContact CD1-CD1 4.12Å; L608-I664 HydrophobicContact CD1-CG1 3.83Å; L608-I664 HydrophobicContact CD1-CG2 3.62Å; L608-I664 HydrophobicContact CG-CG1 4.46Å; E609-I664 HydrophobicContact CG-CD1 4.05Å; D660-I664 VanDerWaalsContact O-CG2 3.26Å; D660-I664 WeakPolarHBondContact O-CG2 3.31Å; D660-I664 PolarHBondContact O-N 2.65Å; D660-I664 VanDerWaalsContact O-N 3.1Å; I664-L668 PolarHBondContact O-N 3.12Å; I664-L668 VanDerWaalsContact O-N 3.11Å |
| 665 | A | 96.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.3 | -36.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | C633 M636 I637 F661 I663 L669 | C633-A665 HydrophobicContact CB-CB 4.21Å; M636-A665 HydrophobicContact CB-CB 4.34Å; I637-A665 HydrophobicContact CD1-CB 4.01Å; I637-A665 HydrophobicContact CG1-CB 3.64Å; F661-A665 WeakPolarHBondContact O-CB 3.49Å; F661-A665 PolarHBondContact O-N 3.19Å; I663-A665 VanDerWaalsContact C-N 3.33Å; I663-A665 PolarHBondContact O-N 3.14Å; A665-L669 WeakPolarHBondContact O-CB 3.18Å; A665-L669 VanDerWaalsContact O-CG 3.28Å; A665-L669 WeakPolarHBondContact O-CG 3.5Å; A665-L669 PolarHBondContact O-N 3.12Å |
| 666 | L | 98.2 | Very high | 92 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -41.8 | 173.6 | -74.8 | 165.8 | 0 | 0 | 0 | 111.3 | I637 L662 I663 L669 S670 T696 V704 S708 L711 | I637-L666 HydrophobicContact CD1-CD2 3.77Å; I637-L666 HydrophobicContact CD1-CG 3.89Å; I637-L666 HydrophobicContact CG1-CG 4.47Å; L662-L666 WeakPolarHBondContact O-CB 3.32Å; L662-L666 WeakPolarHBondContact O-CD1 3.34Å; L662-L666 WeakPolarHBondContact O-CG 3.38Å; L662-L666 PolarHBondContact O-N 3.29Å; I663-L666 WeakPolarHBondContact O-CB 3.49Å; I663-L666 PolarHBondContact O-N 3.4Å; I663-L666 VanDerWaalsContact O-N 3.12Å; L666-L669 PolarHBondContact O-N 3.18Å; L666-S670 PolarHBondContact O-N 3.33Å; L666-T696 HydrophobicContact CD1-CG2 4.12Å; L666-T696 HydrophobicContact CD2-CG2 4.42Å; L666-V704 HydrophobicContact CD1-CG1 4.21Å; L666-S708 WeakPolarHBondContact CD1-OG 3.47Å; L666-L711 HydrophobicContact CD2-CD2 3.8Å |
| 667 | D | 97.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 23.7 Ų | 23.7 | 33% | 0.326 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 178.2 | -68.4 | -24.8 | 0 | 0 | 0 | 111.6 | I663 S670 S671 S707 | I663-D667 WeakPolarHBondContact CG2-OD2 3.49Å; I663-D667 VanDerWaalsContact O-CG 3.3Å; I663-D667 PolarHBondContact O-N 3.39Å; D667-S670 VanDerWaalsContact O-CB 3.27Å; D667-S670 WeakPolarHBondContact O-CB 3.42Å; D667-S670 PolarHBondContact O-N 3.13Å; D667-S671 PolarHBondContact O-N 3.17Å; D667-S671 PolarHBondContact O-OG 3.16Å; D667-S707 WeakPolarHBondContact OD1-CB 3.5Å; D667-S707 PolarHBondContact OD1-OG 3.04Å; D667-S707 PolarHBondContact OD2-OG 2.79Å |
| 668 | L | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -37.4 | 174.4 | -179.2 | 56.1 | 0 | 0 | 0 | 112.1 | L608 F611 S612 V629 I664 S670 S671 L672 | L608-L668 HydrophobicContact CB-CD2 4.28Å; L608-L668 HydrophobicContact CD2-CB 4.43Å; L608-L668 HydrophobicContact CD2-CD2 3.27Å; L608-L668 HydrophobicContact CD2-CG 4.46Å; L608-L668 HydrophobicContact CG-CD2 4.37Å; F611-L668 HydrophobicContact CB-CD1 3.86Å; F611-L668 HydrophobicContact CB-CD2 3.97Å; F611-L668 HydrophobicContact CD2-CD2 4.39Å; S612-L668 WeakPolarHBondContact OG-CD1 3.46Å; V629-L668 HydrophobicContact CG1-CD2 3.58Å; V629-L668 HydrophobicContact CG1-CG 4.35Å; I664-L668 PolarHBondContact O-N 3.12Å; I664-L668 VanDerWaalsContact O-N 3.11Å; L668-S670 VanDerWaalsContact C-N 3.29Å; L668-S670 PolarHBondContact O-N 3.32Å; L668-S671 PolarHBondContact O-N 2.92Å; L668-L672 HydrophobicContact CD1-CD1 4.43Å; L668-L672 HydrophobicContact CD1-CG 4.06Å; L668-L672 HydrophobicContact CG-CD1 4.07Å; L668-L672 HydrophobicContact CG-CG 4.22Å; L668-L672 WeakPolarHBondContact O-CB 3.37Å; L668-L672 WeakPolarHBondContact O-CG 3.48Å; L668-L672 PolarHBondContact O-N 2.72Å |
| 669 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 172.1 | -75.2 | 178.2 | 0 | 0 | 0 | 111.6 | F630 C633 V634 I637 A665 L666 L672 I673 L711 | F630-L669 HydrophobicContact CB-CD2 4.49Å; F630-L669 HydrophobicContact CD1-CD2 3.95Å; F630-L669 HydrophobicContact CD2-CD2 3.46Å; F630-L669 VanDerWaalsContact CD2-CD2 3.46Å; F630-L669 HydrophobicContact CE1-CD2 3.96Å; F630-L669 HydrophobicContact CE2-CD2 3.48Å; F630-L669 VanDerWaalsContact CE2-CD2 3.48Å; F630-L669 HydrophobicContact CG-CD2 3.71Å; F630-L669 HydrophobicContact CZ-CD2 3.74Å; C633-L669 HydrophobicContact CB-CD1 4.29Å; C633-L669 HydrophobicContact CB-CD2 3.75Å; C633-L669 HydrophobicContact CB-CG 3.72Å; V634-L669 HydrophobicContact CG2-CD1 4.28Å; V634-L669 HydrophobicContact CG2-CD2 4.35Å; I637-L669 HydrophobicContact CD1-CD1 3.51Å; A665-L669 WeakPolarHBondContact O-CB 3.18Å; A665-L669 VanDerWaalsContact O-CG 3.28Å; A665-L669 WeakPolarHBondContact O-CG 3.5Å; A665-L669 PolarHBondContact O-N 3.12Å; L666-L669 PolarHBondContact O-N 3.18Å; L669-L672 HydrophobicContact CD2-CD1 4.37Å; L669-L672 PolarHBondContact O-N 2.75Å; L669-I673 VanDerWaalsContact O-CG1 3.29Å; L669-I673 WeakPolarHBondContact O-CG1 3.49Å; L669-I673 PolarHBondContact O-N 2.69Å; L669-L711 HydrophobicContact CB-CD1 3.98Å; L669-L711 HydrophobicContact CB-CD2 3.99Å; L669-L711 HydrophobicContact CD1-CD2 4.16Å |
| 670 | S | 98.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.5 | -54.1 | 174.5 | -143.2 | 0 | 0 | 0 | 0 | 110.1 | L666 D667 L668 L672 I673 E674 A710 L711 D714 | L666-S670 PolarHBondContact O-N 3.33Å; D667-S670 VanDerWaalsContact O-CB 3.27Å; D667-S670 WeakPolarHBondContact O-CB 3.42Å; D667-S670 PolarHBondContact O-N 3.13Å; L668-S670 VanDerWaalsContact C-N 3.29Å; L668-S670 PolarHBondContact O-N 3.32Å; S670-L672 VanDerWaalsContact C-N 3.33Å; S670-L672 PolarHBondContact O-N 3.2Å; S670-I673 PolarHBondContact O-N 2.93Å; S670-I673 VanDerWaalsContact O-N 3.07Å; S670-E674 PolarHBondContact O-N 3.19Å; S670-A710 PolarHBondContact OG-O 2.9Å; S670-L711 WeakPolarHBondContact OG-CA 3.48Å; S670-L711 PolarHBondContact OG-N 2.76Å; S670-L711 VanDerWaalsContact OG-N 3.11Å; S670-D714 PolarHBondContact OG-OD2 3.36Å |
| 671 | S | 98.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 24 Ų | 24 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | V615 D667 L668 E674 G675 | V615-S671 WeakPolarHBondContact CG1-O 3.25Å; D667-S671 PolarHBondContact O-N 3.17Å; D667-S671 PolarHBondContact O-OG 3.16Å; L668-S671 PolarHBondContact O-N 2.92Å; S671-E674 PolarHBondContact O-N 3.41Å; S671-G675 PolarHBondContact O-N 3.25Å |
| 672 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.6 | -74.6 | 167.8 | 0 | 0 | 0 | 111.3 | V615 F622 V629 F630 L668 L669 S670 L676 L680 | V615-L672 HydrophobicContact CB-CD2 4.24Å; V615-L672 HydrophobicContact CG1-CD2 4.38Å; V615-L672 HydrophobicContact CG2-CD2 3.98Å; F622-L672 HydrophobicContact CD1-CD2 4.22Å; F622-L672 HydrophobicContact CE1-CD2 3.81Å; V629-L672 HydrophobicContact CG1-CD1 4.11Å; V629-L672 HydrophobicContact CG1-CD2 4.49Å; F630-L672 HydrophobicContact CB-CD1 3.99Å; F630-L672 HydrophobicContact CD2-CB 4.21Å; F630-L672 HydrophobicContact CD2-CD1 3.84Å; F630-L672 HydrophobicContact CG-CD1 4.35Å; L668-L672 HydrophobicContact CD1-CD1 4.43Å; L668-L672 HydrophobicContact CD1-CG 4.06Å; L668-L672 HydrophobicContact CG-CD1 4.07Å; L668-L672 HydrophobicContact CG-CG 4.22Å; L668-L672 WeakPolarHBondContact O-CB 3.37Å; L668-L672 WeakPolarHBondContact O-CG 3.48Å; L668-L672 PolarHBondContact O-N 2.72Å; L669-L672 HydrophobicContact CD2-CD1 4.37Å; L669-L672 PolarHBondContact O-N 2.75Å; S670-L672 VanDerWaalsContact C-N 3.33Å; S670-L672 PolarHBondContact O-N 3.2Å; L672-L676 HydrophobicContact CD2-CD1 4.3Å; L672-L676 VanDerWaalsContact O-CB 3.24Å; L672-L676 WeakPolarHBondContact O-CB 3.4Å; L672-L676 PolarHBondContact O-N 3.45Å; L672-L680 HydrophobicContact CB-CD1 3.91Å; L672-L680 WeakPolarHBondContact O-CD1 3.3Å |
| 673 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | 177.1 | -64.3 | -67.8 | 0 | 0 | 0 | 110.9 | F630 L669 S670 G677 L680 A684 L711 D714 L715 A718 | F630-I673 HydrophobicContact CE2-CD1 3.84Å; F630-I673 HydrophobicContact CE2-CG1 4.21Å; F630-I673 HydrophobicContact CZ-CD1 4.36Å; L669-I673 VanDerWaalsContact O-CG1 3.29Å; L669-I673 WeakPolarHBondContact O-CG1 3.49Å; L669-I673 PolarHBondContact O-N 2.69Å; S670-I673 PolarHBondContact O-N 2.93Å; S670-I673 VanDerWaalsContact O-N 3.07Å; I673-G677 WeakPolarHBondContact O-CA 3.26Å; I673-G677 PolarHBondContact O-N 3.15Å; I673-L680 HydrophobicContact CD1-CB 3.8Å; I673-L680 HydrophobicContact CD1-CD1 3.97Å; I673-A684 HydrophobicContact CD1-CB 4.4Å; I673-L711 HydrophobicContact CG1-CD1 4.05Å; I673-D714 HydrophobicContact CB-CB 4.15Å; I673-D714 HydrophobicContact CG2-CB 3.82Å; I673-D714 WeakPolarHBondContact CG2-O 3.44Å; I673-L715 HydrophobicContact CD1-CD2 3.84Å; I673-L715 HydrophobicContact CG1-CD2 4.05Å; I673-L715 HydrophobicContact CG2-CD2 4.33Å; I673-A718 HydrophobicContact CG2-CB 3.87Å |
| 674 | E | 97.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 31 Ų | 31 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64 | -50.6 | 176.7 | -176.7 | 175.8 | -168.3 | 0 | 0 | 111.6 | I616 S670 S671 | I616-E674 HydrophobicContact CD1-CB 3.78Å; I616-E674 HydrophobicContact CD1-CG 3.74Å; S670-E674 PolarHBondContact O-N 3.19Å; S671-E674 PolarHBondContact O-N 3.41Å |
| 675 | G | 96.7 | Very high | 97.6 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.1 | -31.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q619 S671 | Q619-G675 WeakPolarHBondContact CA-O 3.44Å; S671-G675 PolarHBondContact O-N 3.25Å |
| 676 | L | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -105.7 | -14.1 | -177.4 | -58.5 | 176.8 | 0 | 0 | 0 | 113.7 | V615 Q619 F622 L623 L672 A679 L680 | V615-L676 HydrophobicContact CG2-CD1 4.16Å; V615-L676 HydrophobicContact CG2-CD2 4.26Å; V615-L676 HydrophobicContact CG2-CG 3.79Å; Q619-L676 WeakPolarHBondContact O-CD2 3.18Å; F622-L676 HydrophobicContact CB-CD2 4.25Å; F622-L676 HydrophobicContact CD1-CD1 4.41Å; L623-L676 HydrophobicContact CD2-CB 4.39Å; L623-L676 HydrophobicContact CD2-CD1 4.3Å; L623-L676 HydrophobicContact CD2-CD2 3.86Å; L623-L676 HydrophobicContact CD2-CG 4.43Å; L623-L676 HydrophobicContact CG-CD2 3.94Å; L672-L676 HydrophobicContact CD2-CD1 4.3Å; L672-L676 VanDerWaalsContact O-CB 3.24Å; L672-L676 WeakPolarHBondContact O-CB 3.4Å; L672-L676 PolarHBondContact O-N 3.45Å; L676-A679 WeakPolarHBondContact O-CB 3.27Å; L676-A679 PolarHBondContact O-N 3.38Å; L676-L680 HydrophobicContact CB-CD1 3.95Å; L676-L680 HydrophobicContact CB-CG 3.87Å; L676-L680 HydrophobicContact CD1-CD1 3.88Å; L676-L680 HydrophobicContact CD1-CD2 4.09Å; L676-L680 HydrophobicContact CD1-CG 4.07Å; L676-L680 HydrophobicContact CG-CD1 4.44Å |
| 677 | G | 96.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | 55.1 | -139.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I673 A679 L680 | I673-G677 WeakPolarHBondContact O-CA 3.26Å; I673-G677 PolarHBondContact O-N 3.15Å; G677-A679 PolarHBondContact O-N 3.45Å; G677-L680 PolarHBondContact O-N 3.08Å; G677-L680 VanDerWaalsContact O-N 3.17Å |
| 678 | S | 96.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 61% | 0.608 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -62.7 | -12.1 | -175.3 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | L680 Q681 | S678-L680 PolarHBondContact O-N 2.68Å; S678-Q681 WeakPolarHBondContact O-CB 3.32Å; S678-Q681 PolarHBondContact O-N 2.68Å; S678-Q681 VanDerWaalsContact O-N 3.16Å |
| 679 | A | 97.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 45% | 0.446 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -61.9 | -25.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L623 L676 G677 | L623-A679 HydrophobicContact CD2-CB 3.69Å; L676-A679 WeakPolarHBondContact O-CB 3.27Å; L676-A679 PolarHBondContact O-N 3.38Å; G677-A679 PolarHBondContact O-N 3.45Å |
| 680 | L | 96.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -91.2 | -3.1 | 177.4 | -67.4 | -175.8 | 0 | 0 | 0 | 114.3 | F630 L672 I673 L676 G677 S678 E682 L683 A684 | F630-L680 HydrophobicContact CD2-CD1 3.82Å; F630-L680 HydrophobicContact CE2-CD1 3.98Å; L672-L680 HydrophobicContact CB-CD1 3.91Å; L672-L680 WeakPolarHBondContact O-CD1 3.3Å; I673-L680 HydrophobicContact CD1-CB 3.8Å; I673-L680 HydrophobicContact CD1-CD1 3.97Å; L676-L680 HydrophobicContact CB-CD1 3.95Å; L676-L680 HydrophobicContact CB-CG 3.87Å; L676-L680 HydrophobicContact CD1-CD1 3.88Å; L676-L680 HydrophobicContact CD1-CD2 4.09Å; L676-L680 HydrophobicContact CD1-CG 4.07Å; L676-L680 HydrophobicContact CG-CD1 4.44Å; G677-L680 PolarHBondContact O-N 3.08Å; G677-L680 VanDerWaalsContact O-N 3.17Å; S678-L680 PolarHBondContact O-N 2.68Å; L680-E682 VanDerWaalsContact C-N 3.31Å; L680-E682 PolarHBondContact O-N 3.25Å; L680-L683 HydrophobicContact CD2-CD2 4.14Å; L680-L683 PolarHBondContact O-N 2.64Å; L680-L683 VanDerWaalsContact O-N 3.11Å; L680-A684 WeakPolarHBondContact O-CB 3.16Å; L680-A684 PolarHBondContact O-N 3.09Å |
| 681 | Q | 98.1 | Very high | 97.3 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.9 | -42.2 | -175.3 | -170.7 | -172.6 | -86.5 | 0 | 0 | 112.6 | S678 G685 C719 P721 L722 | S678-Q681 WeakPolarHBondContact O-CB 3.32Å; S678-Q681 PolarHBondContact O-N 2.68Å; S678-Q681 VanDerWaalsContact O-N 3.16Å; Q681-G685 PolarHBondContact O-N 3.1Å; Q681-G685 VanDerWaalsContact O-N 3.08Å; Q681-C719 HydrophobicContact CB-CB 4.38Å; Q681-C719 HydrophobicContact CG-CB 4.12Å; Q681-P721 VanDerWaalsContact OE1-CD 3.24Å; Q681-L722 HydrophobicContact CG-CD1 4.27Å; Q681-L722 HydrophobicContact CG-CG 4.11Å |
| 682 | E | 97.7 | Very high | 97.2 | Very high | 169 Ų | 169 | 45.1 Ų | 45.1 | 79% | 0.79 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.2 | -42.1 | 178.1 | -174.6 | 176 | 171.4 | 0 | 0 | 111.5 | L680 G685 K686 | L680-E682 VanDerWaalsContact C-N 3.31Å; L680-E682 PolarHBondContact O-N 3.25Å; E682-G685 PolarHBondContact O-N 3.25Å; E682-K686 WeakPolarHBondContact O-CB 3.36Å; E682-K686 PolarHBondContact O-N 3.35Å |
| 683 | L | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -49.4 | 179.3 | -178.1 | 64.4 | 0 | 0 | 0 | 111.6 | E627 F630 L680 G685 K686 M687 | E627-L683 HydrophobicContact CB-CD2 3.88Å; E627-L683 HydrophobicContact CG-CD1 3.96Å; E627-L683 HydrophobicContact CG-CD2 4Å; F630-L683 HydrophobicContact CB-CD2 3.82Å; F630-L683 HydrophobicContact CD1-CD2 3.77Å; F630-L683 HydrophobicContact CD1-CG 3.98Å; F630-L683 HydrophobicContact CE1-CG 4.34Å; F630-L683 HydrophobicContact CG-CD2 3.82Å; F630-L683 HydrophobicContact CG-CG 4.5Å; L680-L683 HydrophobicContact CD2-CD2 4.14Å; L680-L683 PolarHBondContact O-N 2.64Å; L680-L683 VanDerWaalsContact O-N 3.11Å; L683-G685 PolarHBondContact O-N 3.41Å; L683-K686 PolarHBondContact O-N 2.97Å; L683-K686 VanDerWaalsContact O-N 3.09Å; L683-M687 HydrophobicContact CD1-CG 4.06Å; L683-M687 HydrophobicContact CD1-SD 4.03Å; L683-M687 HydrophobicContact CG-CG 4.46Å; L683-M687 HydrophobicContact CG-SD 4.32Å; L683-M687 WeakPolarHBondContact O-CG 3.4Å; L683-M687 PolarHBondContact O-N 2.9Å |
| 684 | A | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -37 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F630 I673 L680 D688 V689 L715 L722 | F630-A684 HydrophobicContact CE1-CB 4.33Å; F630-A684 HydrophobicContact CZ-CB 3.75Å; I673-A684 HydrophobicContact CD1-CB 4.4Å; L680-A684 WeakPolarHBondContact O-CB 3.16Å; L680-A684 PolarHBondContact O-N 3.09Å; A684-D688 PolarHBondContact O-N 2.8Å; A684-V689 HydrophobicContact CB-CG2 4.18Å; A684-V689 PolarHBondContact O-N 3.11Å; A684-L715 HydrophobicContact CB-CD2 4.43Å; A684-L722 HydrophobicContact CB-CD1 3.67Å |
| 685 | G | 97.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.1 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q681 E682 L683 M687 D688 | Q681-G685 PolarHBondContact O-N 3.1Å; Q681-G685 VanDerWaalsContact O-N 3.08Å; E682-G685 PolarHBondContact O-N 3.25Å; L683-G685 PolarHBondContact O-N 3.41Å; G685-M687 VanDerWaalsContact C-N 3.26Å; G685-M687 PolarHBondContact O-N 2.97Å; G685-D688 PolarHBondContact O-N 2.87Å |
| 686 | K | 97.4 | Very high | 96.9 | Very high | 161 Ų | 161 | 45.6 Ų | 45.6 | 70% | 0.7 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.5 | -33.3 | 177.5 | -180 | -175.4 | 171.6 | -165.3 | 0 | 112.6 | E682 L683 | E682-K686 WeakPolarHBondContact O-CB 3.36Å; E682-K686 PolarHBondContact O-N 3.35Å; L683-K686 PolarHBondContact O-N 2.97Å; L683-K686 VanDerWaalsContact O-N 3.09Å |
| 687 | M | 96.7 | Very high | 96.8 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4.2 | 179.8 | -60.4 | -160.5 | 84.5 | 0 | 0 | 113.9 | F630 V634 L683 G685 V689 | F630-M687 HydrophobicContact CD1-SD 3.8Å; F630-M687 HydrophobicContact CE1-SD 4.19Å; V634-M687 HydrophobicContact CB-CE 3.79Å; V634-M687 HydrophobicContact CB-SD 4.3Å; V634-M687 HydrophobicContact CG1-CB 4.31Å; V634-M687 HydrophobicContact CG1-CE 3.74Å; V634-M687 HydrophobicContact CG2-CB 4.25Å; V634-M687 HydrophobicContact CG2-CE 4.18Å; V634-M687 HydrophobicContact CG2-SD 4.01Å; L683-M687 HydrophobicContact CD1-CG 4.06Å; L683-M687 HydrophobicContact CD1-SD 4.03Å; L683-M687 HydrophobicContact CG-CG 4.46Å; L683-M687 HydrophobicContact CG-SD 4.32Å; L683-M687 WeakPolarHBondContact O-CG 3.4Å; L683-M687 PolarHBondContact O-N 2.9Å; G685-M687 VanDerWaalsContact C-N 3.26Å; G685-M687 PolarHBondContact O-N 2.97Å; M687-V689 VanDerWaalsContact C-N 3.33Å; M687-V689 HydrophobicContact CB-CG2 4.5Å; M687-V689 PolarHBondContact O-N 2.87Å |
| 688 | D | 95.3 | Very high | 96.8 | Very high | 95 Ų | 95 | 50.3 Ų | 50.3 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 45.8 | 176.8 | -156.9 | 2.4 | 0 | 0 | 0 | 114.1 | A684 G685 I690 A691 L692 | A684-D688 PolarHBondContact O-N 2.8Å; G685-D688 PolarHBondContact O-N 2.87Å; D688-I690 PolarHBondContact O-N 3.24Å; D688-I690 VanDerWaalsContact O-N 3.09Å; D688-A691 HydrophobicContact CB-CB 4.29Å; D688-A691 VanDerWaalsContact CG-CB 3.43Å; D688-A691 WeakPolarHBondContact O-CB 3.14Å; D688-A691 PolarHBondContact O-N 2.71Å; D688-A691 WeakPolarHBondContact OD1-CB 3.19Å; D688-A691 PolarHBondContact OD1-N 2.54Å; D688-A691 WeakPolarHBondContact OD2-CB 3.36Å; D688-L692 PolarHBondContact O-N 3.12Å |
| 689 | V | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.6 | -28 | 179.6 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | F630 V634 A684 M687 A691 L692 L693 L711 L715 | F630-V689 HydrophobicContact CE1-CG2 3.76Å; F630-V689 HydrophobicContact CZ-CG2 3.78Å; V634-V689 HydrophobicContact CG2-CG2 4.19Å; A684-V689 HydrophobicContact CB-CG2 4.18Å; A684-V689 PolarHBondContact O-N 3.11Å; M687-V689 VanDerWaalsContact C-N 3.33Å; M687-V689 HydrophobicContact CB-CG2 4.5Å; M687-V689 PolarHBondContact O-N 2.87Å; V689-A691 VanDerWaalsContact C-N 3.34Å; V689-A691 PolarHBondContact O-N 2.94Å; V689-L692 WeakPolarHBondContact O-CB 3.32Å; V689-L692 PolarHBondContact O-N 3.31Å; V689-L693 PolarHBondContact O-N 3.29Å; V689-L711 HydrophobicContact CG1-CD2 3.94Å; V689-L715 HydrophobicContact CG1-CD1 3.97Å |
| 690 | I | 97.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.7 | -62.5 | -62.7 | 0 | 0 | 0 | 111.2 | D688 L692 L693 Y694 L715 L722 V723 H726 F730 | D688-I690 PolarHBondContact O-N 3.24Å; D688-I690 VanDerWaalsContact O-N 3.09Å; I690-L692 VanDerWaalsContact C-N 3.29Å; I690-L692 PolarHBondContact O-N 3.18Å; I690-L693 PolarHBondContact O-N 3.37Å; I690-Y694 HydrophobicContact CG2-CD2 3.96Å; I690-Y694 HydrophobicContact CG2-CE2 3.73Å; I690-Y694 VanDerWaalsContact O-CD2 3.27Å; I690-Y694 WeakPolarHBondContact O-CD2 3.26Å; I690-Y694 PolarHBondContact O-N 3.36Å; I690-L715 HydrophobicContact CD1-CD1 4.46Å; I690-L722 HydrophobicContact CD1-CB 4.28Å; I690-L722 HydrophobicContact CG1-CB 4.2Å; I690-V723 HydrophobicContact CD1-CG2 4.25Å; I690-H726 HydrophobicContact CG2-CB 4.37Å; I690-F730 HydrophobicContact CD1-CE2 4.21Å; I690-F730 HydrophobicContact CD1-CZ 4.41Å; I690-F730 HydrophobicContact CG2-CE2 4.23Å; I690-F730 HydrophobicContact CG2-CZ 4.17Å |
| 691 | A | 95.6 | Very high | 96.1 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D688 V689 Y694 | D688-A691 HydrophobicContact CB-CB 4.29Å; D688-A691 VanDerWaalsContact CG-CB 3.43Å; D688-A691 WeakPolarHBondContact O-CB 3.14Å; D688-A691 PolarHBondContact O-N 2.71Å; D688-A691 WeakPolarHBondContact OD1-CB 3.19Å; D688-A691 PolarHBondContact OD1-N 2.54Å; D688-A691 WeakPolarHBondContact OD2-CB 3.36Å; V689-A691 VanDerWaalsContact C-N 3.34Å; V689-A691 PolarHBondContact O-N 2.94Å; A691-Y694 WeakPolarHBondContact O-CB 3.33Å; A691-Y694 PolarHBondContact O-N 3.23Å |
| 692 | L | 96.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 172.2 | -58.7 | -177 | 0 | 0 | 0 | 111 | V634 I637 E638 M641 D688 V689 I690 Y694 L695 T696 | V634-L692 HydrophobicContact CB-CD1 4.45Å; V634-L692 HydrophobicContact CG1-CD1 4Å; V634-L692 HydrophobicContact CG2-CD1 4.4Å; I637-L692 HydrophobicContact CB-CD1 4.27Å; I637-L692 HydrophobicContact CD1-CD1 4.42Å; I637-L692 HydrophobicContact CG2-CB 4.44Å; I637-L692 HydrophobicContact CG2-CD1 3.99Å; I637-L692 HydrophobicContact CG2-CD2 4.19Å; I637-L692 HydrophobicContact CG2-CG 4.45Å; E638-L692 HydrophobicContact CG-CD2 3.79Å; M641-L692 HydrophobicContact CE-CB 4.39Å; M641-L692 HydrophobicContact CE-CD2 4.18Å; D688-L692 PolarHBondContact O-N 3.12Å; V689-L692 WeakPolarHBondContact O-CB 3.32Å; V689-L692 PolarHBondContact O-N 3.31Å; I690-L692 VanDerWaalsContact C-N 3.29Å; I690-L692 PolarHBondContact O-N 3.18Å; L692-Y694 VanDerWaalsContact C-N 3.28Å; L692-Y694 PolarHBondContact O-N 3.22Å; L692-L695 WeakPolarHBondContact O-CB 3.39Å; L692-L695 PolarHBondContact O-N 3.11Å; L692-T696 WeakPolarHBondContact O-CG2 3.34Å; L692-T696 PolarHBondContact O-N 3.04Å; L692-T696 PolarHBondContact O-OG1 2.8Å |
| 693 | L | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -32.9 | 178.2 | -78.1 | 177.6 | 0 | 0 | 0 | 113.3 | V689 I690 L695 V697 S708 L711 L712 L715 F730 | V689-L693 PolarHBondContact O-N 3.29Å; I690-L693 PolarHBondContact O-N 3.37Å; L693-L695 PolarHBondContact O-N 3.39Å; L693-V697 HydrophobicContact CD2-CG1 4.21Å; L693-V697 WeakPolarHBondContact O-CG1 3.22Å; L693-V697 WeakPolarHBondContact O-CG2 3.14Å; L693-V697 PolarHBondContact O-N 3.36Å; L693-V697 VanDerWaalsContact O-N 3.13Å; L693-S708 VanDerWaalsContact CD2-O 3.32Å; L693-S708 WeakPolarHBondContact CD2-O 3.49Å; L693-L711 HydrophobicContact CD1-CG 4.44Å; L693-L711 HydrophobicContact CD2-CB 4.42Å; L693-L711 HydrophobicContact CD2-CD2 4.13Å; L693-L711 HydrophobicContact CD2-CG 4.36Å; L693-L711 HydrophobicContact CG-CD2 4.4Å; L693-L712 HydrophobicContact CD1-CB 4.33Å; L693-L712 HydrophobicContact CD1-CD1 4.36Å; L693-L715 HydrophobicContact CD1-CD1 3.56Å; L693-F730 HydrophobicContact CB-CE1 3.9Å; L693-F730 HydrophobicContact CB-CZ 3.9Å; L693-F730 HydrophobicContact CD1-CZ 4.34Å |
| 694 | Y | 96.7 | Very high | 95.8 | Very high | 71 Ų | 71 | 44 Ų | 44 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.7 | -36.1 | 172.4 | -93.4 | -81.8 | 0 | 0 | 0 | 112.1 | I690 A691 L692 Q698 H726 F729 | I690-Y694 HydrophobicContact CG2-CD2 3.96Å; I690-Y694 HydrophobicContact CG2-CE2 3.73Å; I690-Y694 VanDerWaalsContact O-CD2 3.27Å; I690-Y694 WeakPolarHBondContact O-CD2 3.26Å; I690-Y694 PolarHBondContact O-N 3.36Å; A691-Y694 WeakPolarHBondContact O-CB 3.33Å; A691-Y694 PolarHBondContact O-N 3.23Å; L692-Y694 VanDerWaalsContact C-N 3.28Å; L692-Y694 PolarHBondContact O-N 3.22Å; Y694-Q698 PolarHBondContact O-NE2 3.33Å; Y694-H726 HydrophobicContact CE2-CB 4.38Å; Y694-H726 AromaticContact CE2-ND1 3.38Å; Y694-H726 WeakPolarHBondContact CE2-ND1 3.49Å; Y694-H726 AromaticContact CZ-ND1 3.57Å; Y694-H726 PolarHBondContact OH-ND1 2.82Å; Y694-F729 AromaticContact CD1-CD1 3.55Å; Y694-F729 HydrophobicContact CD1-CD1 3.55Å; Y694-F729 AromaticContact CD1-CD2 3.76Å; Y694-F729 HydrophobicContact CD1-CD2 3.76Å; Y694-F729 AromaticContact CD1-CE1 3.35Å; Y694-F729 HydrophobicContact CD1-CE1 3.35Å; Y694-F729 AromaticContact CD1-CE2 3.56Å; Y694-F729 HydrophobicContact CD1-CE2 3.56Å; Y694-F729 AromaticContact CD1-CG 3.75Å; Y694-F729 HydrophobicContact CD1-CG 3.75Å; Y694-F729 AromaticContact CD1-CZ 3.35Å; Y694-F729 HydrophobicContact CD1-CZ 3.35Å; Y694-F729 HydrophobicContact CE1-CB 3.8Å; Y694-F729 AromaticContact CE1-CD1 3.32Å; Y694-F729 HydrophobicContact CE1-CD1 3.32Å; Y694-F729 AromaticContact CE1-CD2 3.44Å; Y694-F729 HydrophobicContact CE1-CD2 3.44Å; Y694-F729 VanDerWaalsContact CE1-CD2 3.44Å; Y694-F729 AromaticContact CE1-CE1 3.69Å; Y694-F729 HydrophobicContact CE1-CE1 3.69Å; Y694-F729 AromaticContact CE1-CE2 3.78Å; Y694-F729 HydrophobicContact CE1-CE2 3.78Å; Y694-F729 AromaticContact CE1-CG 3.19Å; Y694-F729 HydrophobicContact CE1-CG 3.19Å; Y694-F729 AromaticContact CE1-CZ 3.9Å; Y694-F729 HydrophobicContact CE1-CZ 3.9Å; Y694-F729 HydrophobicContact CG-CD1 4.28Å; Y694-F729 AromaticContact CG-CE1 3.93Å; Y694-F729 HydrophobicContact CG-CE1 3.93Å; Y694-F729 HydrophobicContact CG-CZ 4.16Å; Y694-F729 AromaticContact CZ-CD1 3.89Å; Y694-F729 AromaticContact CZ-CG 3.93Å |
| 695 | L | 94.5 | Very high | 95.8 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -85.4 | -50.9 | -179.7 | -57.1 | 178.8 | 0 | 0 | 0 | 111.1 | M641 E643 L692 L693 V697 Q698 D699 | M641-L695 HydrophobicContact CE-CB 3.87Å; M641-L695 HydrophobicContact CE-CD1 4.12Å; M641-L695 HydrophobicContact SD-CB 3.83Å; M641-L695 HydrophobicContact SD-CD1 3.84Å; E643-L695 VanDerWaalsContact OE1-CD2 3.24Å; E643-L695 WeakPolarHBondContact OE1-CD2 3.08Å; L692-L695 WeakPolarHBondContact O-CB 3.39Å; L692-L695 PolarHBondContact O-N 3.11Å; L693-L695 PolarHBondContact O-N 3.39Å; L695-V697 PolarHBondContact O-N 3.35Å; L695-Q698 CarbonylContact O-C 2.96Å; L695-Q698 PolarHBondContact O-N 3.08Å; L695-Q698 VanDerWaalsContact O-N 3.1Å; L695-D699 PolarHBondContact O-N 3.34Å |
| 696 | T | 95.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.8 | -32.2 | -170 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | I637 M641 L666 L692 Q698 D699 S708 | I637-T696 HydrophobicContact CG2-CG2 4.37Å; M641-T696 HydrophobicContact CE-CG2 3.22Å; M641-T696 HydrophobicContact SD-CG2 4.33Å; L666-T696 HydrophobicContact CD1-CG2 4.12Å; L666-T696 HydrophobicContact CD2-CG2 4.42Å; L692-T696 WeakPolarHBondContact O-CG2 3.34Å; L692-T696 PolarHBondContact O-N 3.04Å; L692-T696 PolarHBondContact O-OG1 2.8Å; T696-Q698 PolarHBondContact O-N 3.37Å; T696-D699 WeakPolarHBondContact O-CB 3.49Å; T696-D699 PolarHBondContact O-N 3.35Å; T696-D699 VanDerWaalsContact O-N 3.16Å; T696-S708 WeakPolarHBondContact CB-OG 3.44Å; T696-S708 PolarHBondContact O-OG 2.93Å; T696-S708 WeakPolarHBondContact OG1-CB 3.47Å; T696-S708 PolarHBondContact OG1-OG 2.74Å |
| 697 | V | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.8 | 174.3 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | L693 L695 R705 F709 F729 A733 | L693-V697 HydrophobicContact CD2-CG1 4.21Å; L693-V697 WeakPolarHBondContact O-CG1 3.22Å; L693-V697 WeakPolarHBondContact O-CG2 3.14Å; L693-V697 PolarHBondContact O-N 3.36Å; L693-V697 VanDerWaalsContact O-N 3.13Å; L695-V697 PolarHBondContact O-N 3.35Å; V697-R705 WeakPolarHBondContact O-CD 3.19Å; V697-F709 HydrophobicContact CB-CE1 4.27Å; V697-F709 HydrophobicContact CB-CZ 4.08Å; V697-F709 HydrophobicContact CG1-CD1 4.44Å; V697-F709 HydrophobicContact CG1-CE1 4.15Å; V697-F709 HydrophobicContact CG1-CZ 4.39Å; V697-F729 HydrophobicContact CG2-CE1 3.8Å; V697-F729 HydrophobicContact CG2-CZ 3.93Å; V697-A733 HydrophobicContact CG2-CB 4.01Å |
| 698 | Q | 94.4 | Very high | 95.9 | Very high | 123 Ų | 123 | 37.8 Ų | 37.8 | 58% | 0.575 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108 | 7 | 177.2 | -63.1 | -176.3 | 94.7 | 0 | 0 | 112.5 | Y694 L695 T696 F729 | Y694-Q698 PolarHBondContact O-NE2 3.33Å; L695-Q698 CarbonylContact O-C 2.96Å; L695-Q698 PolarHBondContact O-N 3.08Å; L695-Q698 VanDerWaalsContact O-N 3.1Å; T696-Q698 PolarHBondContact O-N 3.37Å; Q698-F729 HydrophobicContact CG-CZ 4.16Å |
| 699 | D | 93.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | trans | -60.6 | 154.5 | 178.5 | -162.1 | -85 | 0 | 0 | 0 | 111.3 | R659 L695 T696 S701 V704 R705 | R659-D699 IonicContact NE-OD1 3.34Å; R659-D699 PolarHBondContact NE-OD1 3.24Å; L695-D699 PolarHBondContact O-N 3.34Å; T696-D699 WeakPolarHBondContact O-CB 3.49Å; T696-D699 PolarHBondContact O-N 3.35Å; T696-D699 VanDerWaalsContact O-N 3.16Å; D699-S701 VanDerWaalsContact C-N 3.29Å; D699-S701 PolarHBondContact O-N 2.92Å; D699-S701 WeakPolarHBondContact OD1-CB 3.37Å; D699-S701 PolarHBondContact OD1-N 3.21Å; D699-V704 HydrophobicContact CB-CB 3.97Å; D699-V704 HydrophobicContact CB-CG1 3.66Å; D699-R705 WeakPolarHBondContact O-CD 3.47Å; D699-R705 PolarHBondContact O-NH1 3.38Å | ||
| 700 | V | 90.9 | Very high | 96.2 | Very high | 110 Ų | 110 | 33.9 Ų | 33.9 | 67% | 0.667 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -67.9 | -29.9 | 177.3 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | P702 | V700-P702 WeakPolarHBondContact O-CD 3.28Š|
| 701 | S | 92.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | trans | -78.9 | 122.9 | 178.7 | 161.6 | 0 | 0 | 0 | 0 | 111.3 | D699 E703 V704 R705 | D699-S701 VanDerWaalsContact C-N 3.29Å; D699-S701 PolarHBondContact O-N 2.92Å; D699-S701 WeakPolarHBondContact OD1-CB 3.37Å; D699-S701 PolarHBondContact OD1-N 3.21Å; S701-E703 PolarHBondContact O-N 2.87Å; S701-E703 PolarHBondContact OG-N 3.43Å; S701-E703 PolarHBondContact OG-OE2 3.23Å; S701-V704 PolarHBondContact O-N 2.92Å; S701-V704 PolarHBondContact OG-N 3.08Å; S701-R705 PolarHBondContact O-N 2.99Å | ||
| 702 | P | 94.7 | Very high | 96.4 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 20% | 0.195 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.2 | -34.3 | 171.2 | -25 | 35.2 | 0 | 0 | 0 | 113.6 | V700 R705 Q706 Y742 V745 | V700-P702 WeakPolarHBondContact O-CD 3.28Å; P702-R705 PolarHBondContact O-N 3.47Å; P702-Q706 WeakPolarHBondContact O-CB 3.35Å; P702-Q706 PolarHBondContact O-N 2.87Å; P702-Y742 HydrophobicContact CB-CD1 4.23Å; P702-Y742 HydrophobicContact CG-CD1 3.95Å; P702-Y742 HydrophobicContact CG-CE1 4.03Å; P702-V745 HydrophobicContact CB-CG1 4.45Å |
| 703 | E | 95.8 | Very high | 96.5 | Very high | 101 Ų | 101 | 31 Ų | 31 | 47% | 0.472 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.3 | -45.2 | -179.3 | -57 | 73.5 | -159.7 | 0 | 0 | 111 | I663 S701 R705 Q706 S707 | I663-E703 HydrophobicContact CD1-CB 3.68Å; I663-E703 HydrophobicContact CG1-CB 4.34Å; S701-E703 PolarHBondContact O-N 2.87Å; S701-E703 PolarHBondContact OG-N 3.43Å; S701-E703 PolarHBondContact OG-OE2 3.23Å; E703-R705 VanDerWaalsContact C-N 3.3Å; E703-R705 PolarHBondContact O-N 2.93Å; E703-Q706 WeakPolarHBondContact O-CB 3.37Å; E703-Q706 PolarHBondContact O-N 3.09Å; E703-Q706 VanDerWaalsContact O-N 3.16Å; E703-S707 PolarHBondContact O-N 3.48Å |
| 704 | V | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 173.2 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | R659 L662 I663 L666 D699 S701 Q706 S708 | R659-V704 HydrophobicContact CB-CG2 4.04Å; R659-V704 HydrophobicContact CG-CG2 4.27Å; L662-V704 HydrophobicContact CB-CG1 4.49Å; L662-V704 HydrophobicContact CB-CG2 4.28Å; L662-V704 HydrophobicContact CD1-CG1 4.44Å; L662-V704 HydrophobicContact CD1-CG2 4.34Å; I663-V704 HydrophobicContact CD1-CG2 4.34Å; I663-V704 HydrophobicContact CG1-CG2 3.87Å; L666-V704 HydrophobicContact CD1-CG1 4.21Å; D699-V704 HydrophobicContact CB-CB 3.97Å; D699-V704 HydrophobicContact CB-CG1 3.66Å; S701-V704 PolarHBondContact O-N 2.92Å; S701-V704 PolarHBondContact OG-N 3.08Å; V704-Q706 VanDerWaalsContact C-N 3.35Å; V704-Q706 PolarHBondContact O-N 3.18Å; V704-S708 WeakPolarHBondContact O-CB 3.35Å; V704-S708 PolarHBondContact O-N 2.91Å; V704-S708 PolarHBondContact O-OG 2.93Å |
| 705 | R | 97.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 28 Ų | 28 | 18% | 0.177 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -37.3 | 177 | -66.7 | -163.7 | -59.5 | -113.6 | 1.3 | 112 | V697 D699 S701 P702 E703 S708 F709 N737 V745 | V697-R705 WeakPolarHBondContact O-CD 3.19Å; D699-R705 WeakPolarHBondContact O-CD 3.47Å; D699-R705 PolarHBondContact O-NH1 3.38Å; S701-R705 PolarHBondContact O-N 2.99Å; P702-R705 PolarHBondContact O-N 3.47Å; E703-R705 VanDerWaalsContact C-N 3.3Å; E703-R705 PolarHBondContact O-N 2.93Å; R705-S708 WeakPolarHBondContact O-CB 3.44Å; R705-S708 PolarHBondContact O-N 3.5Å; R705-F709 HydrophobicContact CB-CD2 4.45Å; R705-F709 HydrophobicContact CB-CE2 4.25Å; R705-F709 WeakPolarHBondContact O-CD2 3.42Å; R705-F709 PolarHBondContact O-N 3.23Å; R705-N737 PolarHBondContact NE-OD1 3.35Å; R705-V745 HydrophobicContact CB-CG2 3.66Å |
| 706 | Q | 98.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 25.4 Ų | 25.4 | 30% | 0.304 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -57.6 | -53.5 | 176.8 | 172.5 | -173.5 | -28.7 | 0 | 0 | 111.3 | P702 E703 V704 S708 F709 A710 V745 N748 | P702-Q706 WeakPolarHBondContact O-CB 3.35Å; P702-Q706 PolarHBondContact O-N 2.87Å; E703-Q706 WeakPolarHBondContact O-CB 3.37Å; E703-Q706 PolarHBondContact O-N 3.09Å; E703-Q706 VanDerWaalsContact O-N 3.16Å; V704-Q706 VanDerWaalsContact C-N 3.35Å; V704-Q706 PolarHBondContact O-N 3.18Å; Q706-S708 VanDerWaalsContact C-N 3.28Å; Q706-S708 PolarHBondContact O-N 3.25Å; Q706-F709 PolarHBondContact O-N 3.3Å; Q706-A710 PolarHBondContact O-N 2.88Å; Q706-A710 VanDerWaalsContact O-N 3.11Å; Q706-V745 HydrophobicContact CB-CB 4.13Å; Q706-N748 VanDerWaalsContact CG-ND2 3.32Å; Q706-N748 WeakPolarHBondContact CG-ND2 3.38Å; Q706-N748 PolarHBondContact O-ND2 3.11Å |
| 707 | S | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 112 | D667 E703 F709 A710 L711 | D667-S707 WeakPolarHBondContact OD1-CB 3.5Å; D667-S707 PolarHBondContact OD1-OG 3.04Å; D667-S707 PolarHBondContact OD2-OG 2.79Å; E703-S707 PolarHBondContact O-N 3.48Å; S707-F709 PolarHBondContact O-N 3.25Å; S707-A710 WeakPolarHBondContact O-CB 3.43Å; S707-A710 PolarHBondContact O-N 3.36Å; S707-L711 PolarHBondContact O-N 3.16Å |
| 708 | S | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | L666 L693 T696 V704 R705 Q706 L711 L712 | L666-S708 WeakPolarHBondContact CD1-OG 3.47Å; L693-S708 VanDerWaalsContact CD2-O 3.32Å; L693-S708 WeakPolarHBondContact CD2-O 3.49Å; T696-S708 WeakPolarHBondContact CB-OG 3.44Å; T696-S708 PolarHBondContact O-OG 2.93Å; T696-S708 WeakPolarHBondContact OG1-CB 3.47Å; T696-S708 PolarHBondContact OG1-OG 2.74Å; V704-S708 WeakPolarHBondContact O-CB 3.35Å; V704-S708 PolarHBondContact O-N 2.91Å; V704-S708 PolarHBondContact O-OG 2.93Å; R705-S708 WeakPolarHBondContact O-CB 3.44Å; R705-S708 PolarHBondContact O-N 3.5Å; Q706-S708 VanDerWaalsContact C-N 3.28Å; Q706-S708 PolarHBondContact O-N 3.25Å; S708-L711 PolarHBondContact O-N 3.01Å; S708-L712 WeakPolarHBondContact O-CB 3.31Å; S708-L712 PolarHBondContact O-N 3.16Å |
| 709 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -74 | -29.5 | 177.3 | -73.9 | -60.8 | 0 | 0 | 0 | 112.6 | V697 R705 Q706 S707 L712 G713 A733 I734 N737 V745 N748 A749 | V697-F709 HydrophobicContact CB-CE1 4.27Å; V697-F709 HydrophobicContact CB-CZ 4.08Å; V697-F709 HydrophobicContact CG1-CD1 4.44Å; V697-F709 HydrophobicContact CG1-CE1 4.15Å; V697-F709 HydrophobicContact CG1-CZ 4.39Å; R705-F709 HydrophobicContact CB-CD2 4.45Å; R705-F709 HydrophobicContact CB-CE2 4.25Å; R705-F709 WeakPolarHBondContact O-CD2 3.42Å; R705-F709 PolarHBondContact O-N 3.23Å; Q706-F709 PolarHBondContact O-N 3.3Å; S707-F709 PolarHBondContact O-N 3.25Å; F709-L712 HydrophobicContact CD1-CD2 3.95Å; F709-L712 HydrophobicContact CE1-CD2 4.29Å; F709-L712 PolarHBondContact O-N 3.44Å; F709-G713 PolarHBondContact O-N 2.92Å; F709-A733 HydrophobicContact CE1-CB 4.46Å; F709-A733 HydrophobicContact CZ-CB 4.36Å; F709-I734 HydrophobicContact CD1-CG1 4.01Å; F709-I734 HydrophobicContact CE1-CG1 3.63Å; F709-N737 HydrophobicContact CE2-CB 3.66Å; F709-N737 VanDerWaalsContact CE2-CG 3.45Å; F709-N737 HydrophobicContact CZ-CB 4Å; F709-V745 HydrophobicContact CD2-CG2 3.84Å; F709-V745 HydrophobicContact CE2-CG2 4.07Å; F709-N748 HydrophobicContact CB-CB 3.82Å; F709-A749 HydrophobicContact CD1-CB 4.26Å; F709-A749 HydrophobicContact CD2-CB 3.96Å; F709-A749 HydrophobicContact CE1-CB 4.5Å; F709-A749 HydrophobicContact CE2-CB 4.22Å; F709-A749 HydrophobicContact CG-CB 4.01Å; F709-A749 HydrophobicContact CZ-CB 4.48Å |
| 710 | A | 98.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 13% | 0.132 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -53.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S670 Q706 S707 L712 G713 D714 W751 | S670-A710 PolarHBondContact OG-O 2.9Å; Q706-A710 PolarHBondContact O-N 2.88Å; Q706-A710 VanDerWaalsContact O-N 3.11Å; S707-A710 WeakPolarHBondContact O-CB 3.43Å; S707-A710 PolarHBondContact O-N 3.36Å; A710-L712 VanDerWaalsContact C-N 3.28Å; A710-L712 PolarHBondContact O-N 3Å; A710-G713 PolarHBondContact O-N 3.19Å; A710-G713 VanDerWaalsContact O-N 3.08Å; A710-D714 PolarHBondContact O-N 3.02Å; A710-W751 VanDerWaalsContact O-CZ3 3.3Å; A710-W751 WeakPolarHBondContact O-CZ3 3.22Å |
| 711 | L | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 177.7 | 176.4 | 58.8 | 0 | 0 | 0 | 112.4 | L666 L669 S670 I673 V689 L693 S707 S708 D714 L715 | L666-L711 HydrophobicContact CD2-CD2 3.8Å; L669-L711 HydrophobicContact CB-CD1 3.98Å; L669-L711 HydrophobicContact CB-CD2 3.99Å; L669-L711 HydrophobicContact CD1-CD2 4.16Å; S670-L711 WeakPolarHBondContact OG-CA 3.48Å; S670-L711 PolarHBondContact OG-N 2.76Å; S670-L711 VanDerWaalsContact OG-N 3.11Å; I673-L711 HydrophobicContact CG1-CD1 4.05Å; V689-L711 HydrophobicContact CG1-CD2 3.94Å; L693-L711 HydrophobicContact CD1-CG 4.44Å; L693-L711 HydrophobicContact CD2-CB 4.42Å; L693-L711 HydrophobicContact CD2-CD2 4.13Å; L693-L711 HydrophobicContact CD2-CG 4.36Å; L693-L711 HydrophobicContact CG-CD2 4.4Å; S707-L711 PolarHBondContact O-N 3.16Å; S708-L711 PolarHBondContact O-N 3.01Å; L711-D714 PolarHBondContact O-N 2.99Å; L711-L715 HydrophobicContact CD1-CD1 4.05Å; L711-L715 HydrophobicContact CD1-CG 4.01Å; L711-L715 HydrophobicContact CG-CD1 3.97Å; L711-L715 HydrophobicContact CG-CG 4.4Å; L711-L715 WeakPolarHBondContact O-CB 3.01Å; L711-L715 VanDerWaalsContact O-CG 3.25Å; L711-L715 WeakPolarHBondContact O-CG 3.49Å; L711-L715 PolarHBondContact O-N 3.23Å |
| 712 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.2 | 176.1 | 64.3 | 0 | 0 | 0 | 112.3 | L693 S708 F709 A710 L715 A716 V723 F730 I734 A752 M756 | L693-L712 HydrophobicContact CD1-CB 4.33Å; L693-L712 HydrophobicContact CD1-CD1 4.36Å; S708-L712 WeakPolarHBondContact O-CB 3.31Å; S708-L712 PolarHBondContact O-N 3.16Å; F709-L712 HydrophobicContact CD1-CD2 3.95Å; F709-L712 HydrophobicContact CE1-CD2 4.29Å; F709-L712 PolarHBondContact O-N 3.44Å; A710-L712 VanDerWaalsContact C-N 3.28Å; A710-L712 PolarHBondContact O-N 3Å; L712-L715 PolarHBondContact O-N 3.21Å; L712-A716 WeakPolarHBondContact O-CB 3.38Å; L712-A716 PolarHBondContact O-N 3.21Å; L712-V723 HydrophobicContact CD1-CG1 3.98Å; L712-V723 HydrophobicContact CD1-CG2 4.36Å; L712-F730 HydrophobicContact CD1-CB 4.39Å; L712-F730 HydrophobicContact CD1-CD1 3.92Å; L712-F730 HydrophobicContact CD1-CD2 3.79Å; L712-F730 HydrophobicContact CD1-CE1 4.11Å; L712-F730 HydrophobicContact CD1-CE2 3.96Å; L712-F730 HydrophobicContact CD1-CG 3.77Å; L712-F730 HydrophobicContact CD1-CZ 4.13Å; L712-F730 HydrophobicContact CD2-CB 3.98Å; L712-F730 HydrophobicContact CD2-CD1 3.82Å; L712-F730 HydrophobicContact CD2-CG 3.96Å; L712-I734 HydrophobicContact CD2-CD1 4.14Å; L712-I734 HydrophobicContact CD2-CG1 4.48Å; L712-A752 HydrophobicContact CD2-CB 4.23Å; L712-A752 HydrophobicContact CG-CB 4.32Å; L712-M756 HydrophobicContact CD2-SD 4.27Å |
| 713 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.1 | -37.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F709 A710 A716 K717 W751 | F709-G713 PolarHBondContact O-N 2.92Å; A710-G713 PolarHBondContact O-N 3.19Å; A710-G713 VanDerWaalsContact O-N 3.08Å; G713-A716 WeakPolarHBondContact O-CB 3.39Å; G713-A716 PolarHBondContact O-N 3.49Å; G713-K717 WeakPolarHBondContact O-CB 3.42Å; G713-K717 PolarHBondContact O-N 3.33Å; G713-W751 VanDerWaalsContact C-CH2 3.49Å |
| 714 | D | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 173.2 | -78.4 | -40.4 | 0 | 0 | 0 | 111.9 | S670 I673 A710 L711 A716 K717 A718 W751 | S670-D714 PolarHBondContact OG-OD2 3.36Å; I673-D714 HydrophobicContact CB-CB 4.15Å; I673-D714 HydrophobicContact CG2-CB 3.82Å; I673-D714 WeakPolarHBondContact CG2-O 3.44Å; A710-D714 PolarHBondContact O-N 3.02Å; L711-D714 PolarHBondContact O-N 2.99Å; D714-A716 VanDerWaalsContact C-N 3.32Å; D714-A716 PolarHBondContact O-N 3.18Å; D714-K717 PolarHBondContact O-N 2.84Å; D714-A718 WeakPolarHBondContact O-CB 3.49Å; D714-A718 PolarHBondContact O-N 3.05Å; D714-W751 HydrophobicContact CB-CH2 4.48Å; D714-W751 WeakPolarHBondContact OD1-CH2 3.39Å |
| 715 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 171.9 | -74.8 | 170.5 | 0 | 0 | 0 | 112 | I673 A684 V689 I690 L693 L711 L712 K717 C719 W720 V723 | I673-L715 HydrophobicContact CD1-CD2 3.84Å; I673-L715 HydrophobicContact CG1-CD2 4.05Å; I673-L715 HydrophobicContact CG2-CD2 4.33Å; A684-L715 HydrophobicContact CB-CD2 4.43Å; V689-L715 HydrophobicContact CG1-CD1 3.97Å; I690-L715 HydrophobicContact CD1-CD1 4.46Å; L693-L715 HydrophobicContact CD1-CD1 3.56Å; L711-L715 HydrophobicContact CD1-CD1 4.05Å; L711-L715 HydrophobicContact CD1-CG 4.01Å; L711-L715 HydrophobicContact CG-CD1 3.97Å; L711-L715 HydrophobicContact CG-CG 4.4Å; L711-L715 WeakPolarHBondContact O-CB 3.01Å; L711-L715 VanDerWaalsContact O-CG 3.25Å; L711-L715 WeakPolarHBondContact O-CG 3.49Å; L711-L715 PolarHBondContact O-N 3.23Å; L712-L715 PolarHBondContact O-N 3.21Å; L715-K717 VanDerWaalsContact C-N 3.33Å; L715-C719 HydrophobicContact CD2-CB 3.83Å; L715-C719 CarbonylContact O-C 3.58Å; L715-C719 WeakPolarHBondContact O-CA 3.25Å; L715-C719 WeakPolarHBondContact O-CB 3.31Å; L715-C719 PolarHBondContact O-N 2.84Å; L715-W720 PolarHBondContact O-N 3.44Å; L715-W720 VanDerWaalsContact O-N 3.16Å; L715-V723 HydrophobicContact CB-CG2 3.77Å |
| 716 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L712 G713 D714 W720 E755 M756 H759 | L712-A716 WeakPolarHBondContact O-CB 3.38Å; L712-A716 PolarHBondContact O-N 3.21Å; G713-A716 WeakPolarHBondContact O-CB 3.39Å; G713-A716 PolarHBondContact O-N 3.49Å; D714-A716 VanDerWaalsContact C-N 3.32Å; D714-A716 PolarHBondContact O-N 3.18Å; A716-W720 HydrophobicContact CB-CE3 4.37Å; A716-E755 HydrophobicContact CB-CB 4.16Å; A716-M756 HydrophobicContact CB-CG 3.75Å; A716-H759 PolarHBondContact O-CD2 3.3Å; A716-H759 VanDerWaalsContact O-CD2 3.25Å; A716-H759 PolarHBondContact O-NE2 2.56Å |
| 717 | K | 97.5 | Very high | 98.3 | Very high | 101 Ų | 101 | 27.8 Ų | 27.8 | 44% | 0.439 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -70.3 | -43.9 | 179.7 | -175.4 | 176.9 | 177.6 | -175.9 | 0 | 113.1 | G713 D714 L715 E755 | G713-K717 WeakPolarHBondContact O-CB 3.42Å; G713-K717 PolarHBondContact O-N 3.33Å; D714-K717 PolarHBondContact O-N 2.84Å; L715-K717 VanDerWaalsContact C-N 3.33Å; K717-E755 HydrophobicContact CB-CG 4.48Å |
| 718 | A | 97.3 | Very high | 98.3 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -105.5 | -27.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I673 D714 | I673-A718 HydrophobicContact CG2-CB 3.87Å; D714-A718 WeakPolarHBondContact O-CB 3.49Å; D714-A718 PolarHBondContact O-N 3.05Å |
| 719 | C | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -132.2 | 33.5 | -167.3 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | Q681 L715 P721 L722 | Q681-C719 HydrophobicContact CB-CB 4.38Å; Q681-C719 HydrophobicContact CG-CB 4.12Å; L715-C719 HydrophobicContact CD2-CB 3.83Å; L715-C719 CarbonylContact O-C 3.58Å; L715-C719 WeakPolarHBondContact O-CA 3.25Å; L715-C719 WeakPolarHBondContact O-CB 3.31Å; L715-C719 PolarHBondContact O-N 2.84Å; C719-P721 VanDerWaalsContact C-N 3.3Å; C719-P721 WeakPolarHBondContact O-CD 3.16Å; C719-L722 HydrophobicContact CB-CD1 4.13Å; C719-L722 HydrophobicContact CB-CG 4.47Å; C719-L722 WeakPolarHBondContact O-CB 3.45Å; C719-L722 PolarHBondContact O-N 3.29Å | ||
| 720 | W | 98 | Very high | 98.3 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 13% | 0.129 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -44 | -39.8 | -175.3 | 178.4 | -117.8 | 0 | 0 | 0 | 116.3 | L715 A716 L722 V723 K724 T727 M756 H759 L760 | L715-W720 PolarHBondContact O-N 3.44Å; L715-W720 VanDerWaalsContact O-N 3.16Å; A716-W720 HydrophobicContact CB-CE3 4.37Å; W720-L722 PolarHBondContact O-N 3.48Å; W720-L722 VanDerWaalsContact O-N 3.07Å; W720-V723 HydrophobicContact CE3-CB 3.91Å; W720-V723 HydrophobicContact CE3-CG1 4.15Å; W720-V723 HydrophobicContact CZ3-CB 4.04Å; W720-V723 HydrophobicContact CZ3-CG1 3.77Å; W720-V723 PolarHBondContact O-N 3.07Å; W720-K724 HydrophobicContact CD2-CB 4.27Å; W720-K724 HydrophobicContact CZ2-CB 4.03Å; W720-K724 HydrophobicContact CZ2-CG 4.12Å; W720-K724 WeakPolarHBondContact O-CB 3.34Å; W720-K724 PolarHBondContact O-N 3.11Å; W720-T727 HydrophobicContact CH2-CG2 3.54Å; W720-T727 HydrophobicContact CZ2-CG2 4.1Å; W720-T727 HydrophobicContact CZ3-CG2 4.37Å; W720-M756 HydrophobicContact CZ3-CB 4.33Å; W720-M756 HydrophobicContact CZ3-CG 4.19Å; W720-H759 HydrophobicContact CD2-CB 3.41Å; W720-H759 VanDerWaalsContact CD2-CB 3.41Å; W720-H759 AromaticContact CD2-CG 3.83Å; W720-H759 HydrophobicContact CE3-CB 3.87Å; W720-H759 HydrophobicContact CG-CB 3.75Å; W720-H759 AromaticContact CG-CG 3.75Å; W720-H759 AromaticContact CG-ND1 3.95Å; W720-H759 HydrophobicContact CH2-CB 4.18Å; W720-H759 HydrophobicContact CZ2-CB 3.76Å; W720-H759 HydrophobicContact CZ3-CB 4.24Å; W720-L760 HydrophobicContact CH2-CD2 3.86Å; W720-L760 HydrophobicContact CH2-CG 3.86Å; W720-L760 HydrophobicContact CZ2-CD2 4.15Å; W720-L760 HydrophobicContact CZ2-CG 4.3Å |
| 721 | P | 98.2 | Very high | 98.3 | Very high | 74 Ų | 74 | 33.8 Ų | 33.8 | 48% | 0.481 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -53.5 | -27.7 | 176.2 | -29.3 | 38 | 0 | 0 | 0 | 114.9 | Q681 C719 P725 | Q681-P721 VanDerWaalsContact OE1-CD 3.24Å; C719-P721 VanDerWaalsContact C-N 3.3Å; C719-P721 WeakPolarHBondContact O-CD 3.16Å; P721-P725 WeakPolarHBondContact O-CD 3.46Å |
| 722 | L | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.6 | -37.1 | 175.4 | -57.8 | -177.8 | 0 | 0 | 0 | 112.3 | Q681 A684 I690 C719 W720 P725 H726 | Q681-L722 HydrophobicContact CG-CD1 4.27Å; Q681-L722 HydrophobicContact CG-CG 4.11Å; A684-L722 HydrophobicContact CB-CD1 3.67Å; I690-L722 HydrophobicContact CD1-CB 4.28Å; I690-L722 HydrophobicContact CG1-CB 4.2Å; C719-L722 HydrophobicContact CB-CD1 4.13Å; C719-L722 HydrophobicContact CB-CG 4.47Å; C719-L722 WeakPolarHBondContact O-CB 3.45Å; C719-L722 PolarHBondContact O-N 3.29Å; W720-L722 PolarHBondContact O-N 3.48Å; W720-L722 VanDerWaalsContact O-N 3.07Å; L722-P725 WeakPolarHBondContact O-CD 3.34Å; L722-H726 PolarHBondContact O-CD2 3.48Å; L722-H726 VanDerWaalsContact O-CD2 3.28Å |
| 723 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.5 | -35.6 | -177.8 | -178 | 0 | 0 | 0 | 0 | 111.6 | I690 L712 L715 W720 P725 H726 F730 M756 | I690-V723 HydrophobicContact CD1-CG2 4.25Å; L712-V723 HydrophobicContact CD1-CG1 3.98Å; L712-V723 HydrophobicContact CD1-CG2 4.36Å; L715-V723 HydrophobicContact CB-CG2 3.77Å; W720-V723 HydrophobicContact CE3-CB 3.91Å; W720-V723 HydrophobicContact CE3-CG1 4.15Å; W720-V723 HydrophobicContact CZ3-CB 4.04Å; W720-V723 HydrophobicContact CZ3-CG1 3.77Å; W720-V723 PolarHBondContact O-N 3.07Å; V723-P725 VanDerWaalsContact C-CD 3.41Å; V723-P725 VanDerWaalsContact O-N 3.16Å; V723-H726 PolarHBondContact O-N 3.42Å; V723-F730 HydrophobicContact CG1-CD2 4.07Å; V723-F730 HydrophobicContact CG1-CE2 4.45Å; V723-M756 HydrophobicContact CG1-CE 4.31Å |
| 724 | K | 98.2 | Very high | 98.2 | Very high | 118 Ų | 118 | 38.8 Ų | 38.8 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -48.9 | -42.4 | -173.4 | -176.8 | 179.2 | -179.7 | 176.6 | 0 | 115 | W720 H726 T727 | W720-K724 HydrophobicContact CD2-CB 4.27Å; W720-K724 HydrophobicContact CZ2-CB 4.03Å; W720-K724 HydrophobicContact CZ2-CG 4.12Å; W720-K724 WeakPolarHBondContact O-CB 3.34Å; W720-K724 PolarHBondContact O-N 3.11Å; K724-H726 PolarHBondContact O-N 3.34Å; K724-T727 VanDerWaalsContact O-CG2 3.31Å; K724-T727 WeakPolarHBondContact O-CG2 3.4Å |
| 725 | P | 98 | Very high | 98.2 | Very high | 95 Ų | 95 | 40.5 Ų | 40.5 | 62% | 0.617 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -70.3 | -12.1 | -179.7 | -17.7 | 32.3 | 0 | 0 | 0 | 114.2 | P721 L722 V723 | P721-P725 WeakPolarHBondContact O-CD 3.46Å; L722-P725 WeakPolarHBondContact O-CD 3.34Å; V723-P725 VanDerWaalsContact C-CD 3.41Å; V723-P725 VanDerWaalsContact O-N 3.16Å |
| 726 | H | 98.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 47 Ų | 47 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -118.3 | 13.1 | -168.6 | -54 | -82.2 | 0 | 0 | 0 | 112.8 | I690 Y694 L722 V723 K724 D728 F729 F730 | I690-H726 HydrophobicContact CG2-CB 4.37Å; Y694-H726 HydrophobicContact CE2-CB 4.38Å; Y694-H726 AromaticContact CE2-ND1 3.38Å; Y694-H726 WeakPolarHBondContact CE2-ND1 3.49Å; Y694-H726 AromaticContact CZ-ND1 3.57Å; Y694-H726 PolarHBondContact OH-ND1 2.82Å; L722-H726 PolarHBondContact O-CD2 3.48Å; L722-H726 VanDerWaalsContact O-CD2 3.28Å; V723-H726 PolarHBondContact O-N 3.42Å; K724-H726 PolarHBondContact O-N 3.34Å; H726-D728 VanDerWaalsContact C-N 3.31Å; H726-D728 PolarHBondContact O-N 3.26Å; H726-F729 PolarHBondContact O-N 2.69Å; H726-F730 HydrophobicContact CB-CD2 3.77Å; H726-F730 HydrophobicContact CB-CE2 3.56Å; H726-F730 WeakPolarHBondContact O-CD2 3.47Å; H726-F730 PolarHBondContact O-N 3.25Å; H726-F730 VanDerWaalsContact O-N 3.13Å |
| 727 | T | 98 | Very high | 98.1 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.9 | -42.6 | -173.5 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | W720 K724 F729 F730 L731 M756 L760 | W720-T727 HydrophobicContact CH2-CG2 3.54Å; W720-T727 HydrophobicContact CZ2-CG2 4.1Å; W720-T727 HydrophobicContact CZ3-CG2 4.37Å; K724-T727 VanDerWaalsContact O-CG2 3.31Å; K724-T727 WeakPolarHBondContact O-CG2 3.4Å; T727-F729 VanDerWaalsContact C-N 3.3Å; T727-F729 PolarHBondContact O-N 3.34Å; T727-F730 PolarHBondContact O-N 3.12Å; T727-L731 VanDerWaalsContact O-CB 3.31Å; T727-L731 WeakPolarHBondContact O-CB 3.41Å; T727-L731 VanDerWaalsContact O-CG 3.23Å; T727-L731 WeakPolarHBondContact O-CG 3.37Å; T727-L731 PolarHBondContact O-N 3.09Å; T727-M756 HydrophobicContact CG2-CE 4.23Å; T727-L760 HydrophobicContact CG2-CD2 3.63Å |
| 728 | D | 97.8 | Very high | 98 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 53% | 0.529 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -40.3 | -176.3 | -64.3 | 6.5 | 0 | 0 | 0 | 111.4 | H726 L732 Y767 | H726-D728 VanDerWaalsContact C-N 3.31Å; H726-D728 PolarHBondContact O-N 3.26Å; D728-L732 WeakPolarHBondContact O-CB 3.41Å; D728-L732 PolarHBondContact O-N 3.05Å; D728-L732 VanDerWaalsContact O-N 3.13Å; D728-Y767 PolarHBondContact OD1-OH 3.45Å |
| 729 | F | 98.5 | Very high | 97.9 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -49.8 | 176.7 | 171.1 | -96.2 | 0 | 0 | 0 | 111 | Y694 V697 Q698 H726 T727 L732 A733 | Y694-F729 AromaticContact CD1-CD1 3.55Å; Y694-F729 HydrophobicContact CD1-CD1 3.55Å; Y694-F729 AromaticContact CD1-CD2 3.76Å; Y694-F729 HydrophobicContact CD1-CD2 3.76Å; Y694-F729 AromaticContact CD1-CE1 3.35Å; Y694-F729 HydrophobicContact CD1-CE1 3.35Å; Y694-F729 AromaticContact CD1-CE2 3.56Å; Y694-F729 HydrophobicContact CD1-CE2 3.56Å; Y694-F729 AromaticContact CD1-CG 3.75Å; Y694-F729 HydrophobicContact CD1-CG 3.75Å; Y694-F729 AromaticContact CD1-CZ 3.35Å; Y694-F729 HydrophobicContact CD1-CZ 3.35Å; Y694-F729 HydrophobicContact CE1-CB 3.8Å; Y694-F729 AromaticContact CE1-CD1 3.32Å; Y694-F729 HydrophobicContact CE1-CD1 3.32Å; Y694-F729 AromaticContact CE1-CD2 3.44Å; Y694-F729 HydrophobicContact CE1-CD2 3.44Å; Y694-F729 VanDerWaalsContact CE1-CD2 3.44Å; Y694-F729 AromaticContact CE1-CE1 3.69Å; Y694-F729 HydrophobicContact CE1-CE1 3.69Å; Y694-F729 AromaticContact CE1-CE2 3.78Å; Y694-F729 HydrophobicContact CE1-CE2 3.78Å; Y694-F729 AromaticContact CE1-CG 3.19Å; Y694-F729 HydrophobicContact CE1-CG 3.19Å; Y694-F729 AromaticContact CE1-CZ 3.9Å; Y694-F729 HydrophobicContact CE1-CZ 3.9Å; Y694-F729 HydrophobicContact CG-CD1 4.28Å; Y694-F729 AromaticContact CG-CE1 3.93Å; Y694-F729 HydrophobicContact CG-CE1 3.93Å; Y694-F729 HydrophobicContact CG-CZ 4.16Å; Y694-F729 AromaticContact CZ-CD1 3.89Å; Y694-F729 AromaticContact CZ-CG 3.93Å; V697-F729 HydrophobicContact CG2-CE1 3.8Å; V697-F729 HydrophobicContact CG2-CZ 3.93Å; Q698-F729 HydrophobicContact CG-CZ 4.16Å; H726-F729 PolarHBondContact O-N 2.69Å; T727-F729 VanDerWaalsContact C-N 3.3Å; T727-F729 PolarHBondContact O-N 3.34Å; F729-L732 WeakPolarHBondContact O-CB 3.14Å; F729-L732 PolarHBondContact O-N 3.33Å; F729-A733 PolarHBondContact O-N 2.87Å |
| 730 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | -177.3 | -72.2 | -52.1 | 0 | 0 | 0 | 112.8 | I690 L693 L712 V723 H726 T727 L732 A733 I734 M756 | I690-F730 HydrophobicContact CD1-CE2 4.21Å; I690-F730 HydrophobicContact CD1-CZ 4.41Å; I690-F730 HydrophobicContact CG2-CE2 4.23Å; I690-F730 HydrophobicContact CG2-CZ 4.17Å; L693-F730 HydrophobicContact CB-CE1 3.9Å; L693-F730 HydrophobicContact CB-CZ 3.9Å; L693-F730 HydrophobicContact CD1-CZ 4.34Å; L712-F730 HydrophobicContact CD1-CB 4.39Å; L712-F730 HydrophobicContact CD1-CD1 3.92Å; L712-F730 HydrophobicContact CD1-CD2 3.79Å; L712-F730 HydrophobicContact CD1-CE1 4.11Å; L712-F730 HydrophobicContact CD1-CE2 3.96Å; L712-F730 HydrophobicContact CD1-CG 3.77Å; L712-F730 HydrophobicContact CD1-CZ 4.13Å; L712-F730 HydrophobicContact CD2-CB 3.98Å; L712-F730 HydrophobicContact CD2-CD1 3.82Å; L712-F730 HydrophobicContact CD2-CG 3.96Å; V723-F730 HydrophobicContact CG1-CD2 4.07Å; V723-F730 HydrophobicContact CG1-CE2 4.45Å; H726-F730 HydrophobicContact CB-CD2 3.77Å; H726-F730 HydrophobicContact CB-CE2 3.56Å; H726-F730 WeakPolarHBondContact O-CD2 3.47Å; H726-F730 PolarHBondContact O-N 3.25Å; H726-F730 VanDerWaalsContact O-N 3.13Å; T727-F730 PolarHBondContact O-N 3.12Å; F730-L732 VanDerWaalsContact C-N 3.32Å; F730-L732 PolarHBondContact O-N 3.42Å; F730-A733 PolarHBondContact O-N 3.04Å; F730-I734 WeakPolarHBondContact O-CB 3.19Å; F730-I734 WeakPolarHBondContact O-CD1 3.46Å; F730-I734 VanDerWaalsContact O-CG1 3.22Å; F730-I734 WeakPolarHBondContact O-CG1 3.37Å; F730-I734 PolarHBondContact O-N 3.49Å; F730-M756 HydrophobicContact CB-CE 3.99Å; F730-M756 HydrophobicContact CB-SD 4.28Å |
| 731 | L | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 172.7 | -70 | 173.4 | 0 | 0 | 0 | 111.1 | T727 I734 S735 L753 M756 L760 L764 Y767 F771 | T727-L731 VanDerWaalsContact O-CB 3.31Å; T727-L731 WeakPolarHBondContact O-CB 3.41Å; T727-L731 VanDerWaalsContact O-CG 3.23Å; T727-L731 WeakPolarHBondContact O-CG 3.37Å; T727-L731 PolarHBondContact O-N 3.09Å; L731-I734 PolarHBondContact O-N 3.22Å; L731-S735 PolarHBondContact O-N 3.37Å; L731-L753 HydrophobicContact CD2-CD1 3.65Å; L731-M756 HydrophobicContact CD2-CE 4.08Å; L731-M756 HydrophobicContact CG-CE 4.02Å; L731-L760 HydrophobicContact CD1-CD1 4.07Å; L731-L760 HydrophobicContact CD2-CD1 4.16Å; L731-L764 HydrophobicContact CD2-CD1 4.41Å; L731-Y767 HydrophobicContact CB-CD1 4.17Å; L731-Y767 HydrophobicContact CB-CE1 4.32Å; L731-Y767 HydrophobicContact CD1-CD1 4.05Å; L731-Y767 HydrophobicContact CD1-CD2 3.58Å; L731-Y767 HydrophobicContact CD1-CE1 4.19Å; L731-Y767 HydrophobicContact CD1-CE2 3.76Å; L731-Y767 HydrophobicContact CD1-CG 3.76Å; L731-F771 HydrophobicContact CB-CE2 4.36Å; L731-F771 HydrophobicContact CB-CZ 4.32Å; L731-F771 HydrophobicContact CD2-CE2 3.99Å; L731-F771 HydrophobicContact CD2-CZ 4.2Å; L731-F771 VanDerWaalsContact O-CZ 3.32Å; L731-F771 WeakPolarHBondContact O-CZ 3.4Å |
| 732 | L | 98.1 | Very high | 96.9 | Very high | 98 Ų | 98 | 52.9 Ų | 52.9 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 174 | -176.9 | 62.9 | 0 | 0 | 0 | 111.6 | D728 F729 F730 I734 S735 H736 | D728-L732 WeakPolarHBondContact O-CB 3.41Å; D728-L732 PolarHBondContact O-N 3.05Å; D728-L732 VanDerWaalsContact O-N 3.13Å; F729-L732 WeakPolarHBondContact O-CB 3.14Å; F729-L732 PolarHBondContact O-N 3.33Å; F730-L732 VanDerWaalsContact C-N 3.32Å; F730-L732 PolarHBondContact O-N 3.42Å; L732-I734 VanDerWaalsContact C-N 3.35Å; L732-I734 PolarHBondContact O-N 3.06Å; L732-S735 PolarHBondContact O-N 2.89Å; L732-S735 PolarHBondContact O-OG 3.39Å; L732-H736 VanDerWaalsContact CD1-CE1 3.48Å; L732-H736 WeakPolarHBondContact CD1-CE1 3.44Å; L732-H736 PolarHBondContact O-N 3.07Å; L732-H736 PolarHBondContact O-ND1 2.94Å |
| 733 | A | 98.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V697 F709 F729 F730 H736 N737 | V697-A733 HydrophobicContact CG2-CB 4.01Å; F709-A733 HydrophobicContact CE1-CB 4.46Å; F709-A733 HydrophobicContact CZ-CB 4.36Å; F729-A733 PolarHBondContact O-N 2.87Å; F730-A733 PolarHBondContact O-N 3.04Å; A733-H736 PolarHBondContact O-N 3.29Å; A733-N737 PolarHBondContact O-N 2.95Å; A733-N737 PolarHBondContact O-ND2 3.15Å |
| 734 | I | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.6 | -69 | 162.4 | 0 | 0 | 0 | 110.4 | F709 L712 F730 L731 L732 H736 N737 I738 A749 A752 L753 M756 F771 | F709-I734 HydrophobicContact CD1-CG1 4.01Å; F709-I734 HydrophobicContact CE1-CG1 3.63Å; L712-I734 HydrophobicContact CD2-CD1 4.14Å; L712-I734 HydrophobicContact CD2-CG1 4.48Å; F730-I734 WeakPolarHBondContact O-CB 3.19Å; F730-I734 WeakPolarHBondContact O-CD1 3.46Å; F730-I734 VanDerWaalsContact O-CG1 3.22Å; F730-I734 WeakPolarHBondContact O-CG1 3.37Å; F730-I734 PolarHBondContact O-N 3.49Å; L731-I734 PolarHBondContact O-N 3.22Å; L732-I734 VanDerWaalsContact C-N 3.35Å; L732-I734 PolarHBondContact O-N 3.06Å; I734-H736 PolarHBondContact O-N 3.45Å; I734-H736 VanDerWaalsContact O-N 3.15Å; I734-N737 CarbonylContact O-C 3.34Å; I734-N737 WeakPolarHBondContact O-CA 3.39Å; I734-N737 PolarHBondContact O-N 3.27Å; I734-I738 HydrophobicContact CG2-CD1 3.91Å; I734-I738 HydrophobicContact CG2-CG1 4.04Å; I734-I738 WeakPolarHBondContact O-CG1 3.26Å; I734-I738 PolarHBondContact O-N 3.42Å; I734-A749 HydrophobicContact CG2-CB 4.14Å; I734-A749 WeakPolarHBondContact CG2-O 3.48Å; I734-A752 HydrophobicContact CD1-CB 4.36Å; I734-L753 HydrophobicContact CD1-CB 4.26Å; I734-L753 HydrophobicContact CG2-CB 4.05Å; I734-L753 HydrophobicContact CG2-CD2 4.32Å; I734-M756 HydrophobicContact CD1-SD 3.7Å; I734-F771 HydrophobicContact CG2-CE1 3.95Å; I734-F771 HydrophobicContact CG2-CZ 4.38Å |
| 735 | S | 97.7 | Very high | 96.6 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -31.7 | -179.5 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | L731 L732 | L731-S735 PolarHBondContact O-N 3.37Å; L732-S735 PolarHBondContact O-N 2.89Å; L732-S735 PolarHBondContact O-OG 3.39Å |
| 736 | H | 96.9 | Very high | 96.6 | Very high | 136 Ų | 136 | 47.1 Ų | 47.1 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -77.6 | -19 | 175.1 | -64.5 | 117.3 | 0 | 0 | 0 | 113.7 | L732 A733 I734 | L732-H736 VanDerWaalsContact CD1-CE1 3.48Å; L732-H736 WeakPolarHBondContact CD1-CE1 3.44Å; L732-H736 PolarHBondContact O-N 3.07Å; L732-H736 PolarHBondContact O-ND1 2.94Å; A733-H736 PolarHBondContact O-N 3.29Å; I734-H736 PolarHBondContact O-N 3.45Å; I734-H736 VanDerWaalsContact O-N 3.15Å |
| 737 | N | 97.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 46 Ų | 46 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -105.8 | -1.7 | -177.7 | -75.2 | -85.9 | 0 | 0 | 0 | 113.7 | R705 F709 A733 I734 N739 V745 C746 A749 | R705-N737 PolarHBondContact NE-OD1 3.35Å; F709-N737 HydrophobicContact CE2-CB 3.66Å; F709-N737 VanDerWaalsContact CE2-CG 3.45Å; F709-N737 HydrophobicContact CZ-CB 4Å; A733-N737 PolarHBondContact O-N 2.95Å; A733-N737 PolarHBondContact O-ND2 3.15Å; I734-N737 CarbonylContact O-C 3.34Å; I734-N737 WeakPolarHBondContact O-CA 3.39Å; I734-N737 PolarHBondContact O-N 3.27Å; N737-N739 PolarHBondContact O-N 2.94Å; N737-V745 HydrophobicContact CB-CG2 4.43Å; N737-C746 WeakPolarHBondContact O-CA 3.35Å; N737-A749 HydrophobicContact CB-CB 3.99Å |
| 738 | I | 97.2 | Very high | 96.6 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | trans | -75.5 | 74.6 | 165.1 | -61.9 | 173.9 | 0 | 0 | 0 | 108.2 | I734 V750 L753 F771 P774 L775 I778 | I734-I738 HydrophobicContact CG2-CD1 3.91Å; I734-I738 HydrophobicContact CG2-CG1 4.04Å; I734-I738 WeakPolarHBondContact O-CG1 3.26Å; I734-I738 PolarHBondContact O-N 3.42Å; I738-V750 HydrophobicContact CD1-CG2 4.32Å; I738-V750 HydrophobicContact CG1-CG2 3.95Å; I738-V750 HydrophobicContact CG2-CG2 4.41Å; I738-L753 HydrophobicContact CD1-CD2 4Å; I738-F771 HydrophobicContact CD1-CD1 3.47Å; I738-F771 VanDerWaalsContact CD1-CD1 3.47Å; I738-F771 HydrophobicContact CD1-CE1 3.65Å; I738-P774 HydrophobicContact CG2-CB 3.81Å; I738-L775 HydrophobicContact CD1-CD2 4.25Å; I738-L775 HydrophobicContact CG2-CD2 4.43Å; I738-I778 HydrophobicContact CG2-CD1 3.5Å; I738-I778 VanDerWaalsContact CG2-CD1 3.5Å | ||
| 739 | N | 94.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | trans | -131.9 | 107.2 | 176.9 | -177.7 | -1.4 | 0 | 0 | 0 | 109.7 | N737 D741 Y742 C746 | N737-N739 PolarHBondContact O-N 2.94Å; N739-D741 PolarHBondContact O-N 3.03Å; N739-D741 VanDerWaalsContact O-N 3.09Å; N739-D741 WeakPolarHBondContact OD1-CB 3.19Å; N739-D741 PolarHBondContact OD1-N 3.01Å; N739-Y742 HydrophobicContact CB-CD2 4.47Å; N739-Y742 PolarHBondContact O-N 3.21Å; N739-C746 PolarHBondContact N-SG 2.87Å; N739-C746 VanDerWaalsContact O-CB 3.3Å; N739-C746 WeakPolarHBondContact O-CB 3.15Å | ||
| 740 | P | 90.4 | Very high | 96.6 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12 | -178.1 | 27.7 | -36.2 | 0 | 0 | 0 | 114.2 | Y742 V743 I778 V784 | P740-Y742 PolarHBondContact O-N 3.1Å; P740-V743 VanDerWaalsContact O-CG2 3.29Å; P740-V743 WeakPolarHBondContact O-CG2 3.42Å; P740-I778 HydrophobicContact CB-CG1 4.47Å; P740-V784 HydrophobicContact CB-CG2 4.11Å |
| 741 | D | 90.1 | Very high | 96.6 | Very high | 120 Ų | 120 | 42 Ų | 42 | 64% | 0.642 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.2 | 172.4 | -59.9 | -18.4 | 0 | 0 | 0 | 111.8 | N739 | N739-D741 PolarHBondContact O-N 3.03Å; N739-D741 VanDerWaalsContact O-N 3.09Å; N739-D741 WeakPolarHBondContact OD1-CB 3.19Å; N739-D741 PolarHBondContact OD1-N 3.01Å |
| 742 | Y | 93.5 | Very high | 96.6 | Very high | 123 Ų | 123 | 41.9 Ų | 41.9 | 48% | 0.482 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -117.2 | 74.6 | 171.4 | -58.5 | -85.6 | 0 | 0 | 0 | 109.7 | P702 N739 P740 S744 V745 C746 | P702-Y742 HydrophobicContact CB-CD1 4.23Å; P702-Y742 HydrophobicContact CG-CD1 3.95Å; P702-Y742 HydrophobicContact CG-CE1 4.03Å; N739-Y742 HydrophobicContact CB-CD2 4.47Å; N739-Y742 PolarHBondContact O-N 3.21Å; P740-Y742 PolarHBondContact O-N 3.1Å; Y742-S744 PolarHBondContact O-N 3.42Å; Y742-V745 VanDerWaalsContact CB-CG1 3.47Å; Y742-V745 HydrophobicContact CG-CG1 4.49Å; Y742-V745 VanDerWaalsContact O-CG1 3.31Å; Y742-V745 WeakPolarHBondContact O-CG1 3.39Å; Y742-C746 WeakPolarHBondContact O-CB 3.43Å; Y742-C746 PolarHBondContact O-N 3.41Å |
| 743 | V | 93.7 | Very high | 96.6 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 35% | 0.345 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -52.2 | -48.5 | -167.4 | 179.5 | 0 | 0 | 0 | 0 | 113.4 | P740 C746 N747 S785 L788 | P740-V743 VanDerWaalsContact O-CG2 3.29Å; P740-V743 WeakPolarHBondContact O-CG2 3.42Å; V743-C746 PolarHBondContact O-N 3.16Å; V743-N747 WeakPolarHBondContact O-CB 3.47Å; V743-N747 PolarHBondContact O-N 2.89Å; V743-S785 WeakPolarHBondContact CG1-OG 3.21Å; V743-L788 HydrophobicContact CG1-CD2 4.38Å |
| 744 | S | 96.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 46% | 0.462 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68 | -48.1 | -172.3 | -49.5 | 0 | 0 | 0 | 0 | 113.1 | Y742 C746 N747 N748 | Y742-S744 PolarHBondContact O-N 3.42Å; S744-C746 VanDerWaalsContact C-N 3.34Å; S744-C746 PolarHBondContact O-N 3.48Å; S744-N747 WeakPolarHBondContact O-CB 3.35Å; S744-N747 PolarHBondContact O-N 2.94Å; S744-N748 PolarHBondContact O-N 3.1Å |
| 745 | V | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -37.1 | 175 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | P702 R705 Q706 F709 N737 Y742 N747 N748 A749 | P702-V745 HydrophobicContact CB-CG1 4.45Å; R705-V745 HydrophobicContact CB-CG2 3.66Å; Q706-V745 HydrophobicContact CB-CB 4.13Å; F709-V745 HydrophobicContact CD2-CG2 3.84Å; F709-V745 HydrophobicContact CE2-CG2 4.07Å; N737-V745 HydrophobicContact CB-CG2 4.43Å; Y742-V745 VanDerWaalsContact CB-CG1 3.47Å; Y742-V745 HydrophobicContact CG-CG1 4.49Å; Y742-V745 VanDerWaalsContact O-CG1 3.31Å; Y742-V745 WeakPolarHBondContact O-CG1 3.39Å; V745-N747 VanDerWaalsContact C-N 3.34Å; V745-N747 PolarHBondContact O-N 3.21Å; V745-N748 PolarHBondContact O-N 3.1Å; V745-A749 WeakPolarHBondContact O-CB 3.43Å; V745-A749 PolarHBondContact O-N 2.98Å |
| 746 | C | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | N737 N739 Y742 V743 S744 A749 V750 L788 | N737-C746 WeakPolarHBondContact O-CA 3.35Å; N739-C746 PolarHBondContact N-SG 2.87Å; N739-C746 VanDerWaalsContact O-CB 3.3Å; N739-C746 WeakPolarHBondContact O-CB 3.15Å; Y742-C746 WeakPolarHBondContact O-CB 3.43Å; Y742-C746 PolarHBondContact O-N 3.41Å; V743-C746 PolarHBondContact O-N 3.16Å; S744-C746 VanDerWaalsContact C-N 3.34Å; S744-C746 PolarHBondContact O-N 3.48Å; C746-A749 PolarHBondContact O-N 3.31Å; C746-V750 WeakPolarHBondContact O-CB 3.4Å; C746-V750 VanDerWaalsContact O-CG2 3.26Å; C746-V750 WeakPolarHBondContact O-CG2 3.2Å; C746-V750 PolarHBondContact O-N 2.8Å; C746-L788 HydrophobicContact CB-CD2 4.29Å |
| 747 | N | 98.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 29 Ų | 29 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 176.1 | -171.8 | 48.5 | 0 | 0 | 0 | 112.1 | V743 S744 V745 A749 V750 W751 L788 N791 | V743-N747 WeakPolarHBondContact O-CB 3.47Å; V743-N747 PolarHBondContact O-N 2.89Å; S744-N747 WeakPolarHBondContact O-CB 3.35Å; S744-N747 PolarHBondContact O-N 2.94Å; V745-N747 VanDerWaalsContact C-N 3.34Å; V745-N747 PolarHBondContact O-N 3.21Å; N747-A749 PolarHBondContact O-N 3.24Å; N747-V750 PolarHBondContact O-N 3.23Å; N747-W751 WeakPolarHBondContact O-CB 3.46Å; N747-W751 PolarHBondContact O-N 3.06Å; N747-L788 HydrophobicContact CB-CB 4.4Å; N747-L788 HydrophobicContact CB-CD1 4.36Å; N747-L788 WeakPolarHBondContact OD1-CA 3.36Å; N747-N791 PolarHBondContact OD1-ND2 3.12Å |
| 748 | N | 98.5 | Very high | 96.6 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | 179.8 | -72 | 7.8 | 0 | 0 | 0 | 112.3 | Q706 F709 S744 V745 W751 A752 | Q706-N748 VanDerWaalsContact CG-ND2 3.32Å; Q706-N748 WeakPolarHBondContact CG-ND2 3.38Å; Q706-N748 PolarHBondContact O-ND2 3.11Å; F709-N748 HydrophobicContact CB-CB 3.82Å; S744-N748 PolarHBondContact O-N 3.1Å; V745-N748 PolarHBondContact O-N 3.1Å; N748-W751 PolarHBondContact O-N 3.36Å; N748-A752 WeakPolarHBondContact O-CB 3.48Å; N748-A752 PolarHBondContact O-N 3.08Å |
| 749 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F709 I734 N737 V745 C746 N747 L753 | F709-A749 HydrophobicContact CD1-CB 4.26Å; F709-A749 HydrophobicContact CD2-CB 3.96Å; F709-A749 HydrophobicContact CE1-CB 4.5Å; F709-A749 HydrophobicContact CE2-CB 4.22Å; F709-A749 HydrophobicContact CG-CB 4.01Å; F709-A749 HydrophobicContact CZ-CB 4.48Å; I734-A749 HydrophobicContact CG2-CB 4.14Å; I734-A749 WeakPolarHBondContact CG2-O 3.48Å; N737-A749 HydrophobicContact CB-CB 3.99Å; V745-A749 WeakPolarHBondContact O-CB 3.43Å; V745-A749 PolarHBondContact O-N 2.98Å; C746-A749 PolarHBondContact O-N 3.31Å; N747-A749 PolarHBondContact O-N 3.24Å; A749-L753 WeakPolarHBondContact O-CB 3.47Å; A749-L753 PolarHBondContact O-N 3.27Å |
| 750 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | 175.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I738 C746 N747 L753 G754 L775 I778 L788 N791 A792 A795 | I738-V750 HydrophobicContact CD1-CG2 4.32Å; I738-V750 HydrophobicContact CG1-CG2 3.95Å; I738-V750 HydrophobicContact CG2-CG2 4.41Å; C746-V750 WeakPolarHBondContact O-CB 3.4Å; C746-V750 VanDerWaalsContact O-CG2 3.26Å; C746-V750 WeakPolarHBondContact O-CG2 3.2Å; C746-V750 PolarHBondContact O-N 2.8Å; N747-V750 PolarHBondContact O-N 3.23Å; V750-L753 WeakPolarHBondContact O-CB 3.32Å; V750-L753 PolarHBondContact O-N 3.42Å; V750-G754 PolarHBondContact O-N 3.26Å; V750-L775 HydrophobicContact CB-CD2 4.49Å; V750-L775 HydrophobicContact CG1-CD2 3.88Å; V750-L775 HydrophobicContact CG2-CD2 3.76Å; V750-I778 HydrophobicContact CG2-CD1 4.47Å; V750-L788 HydrophobicContact CB-CD1 4.26Å; V750-L788 HydrophobicContact CG2-CD1 3.96Å; V750-N791 HydrophobicContact CG1-CB 3.99Å; V750-A792 HydrophobicContact CG1-CB 4.23Å; V750-A795 HydrophobicContact CG1-CB 4.38Å |
| 751 | W | 98.2 | Very high | 96.9 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 175.1 | 178.5 | 82 | 0 | 0 | 0 | 111.6 | A710 G713 D714 N747 N748 L753 G754 E755 | A710-W751 VanDerWaalsContact O-CZ3 3.3Å; A710-W751 WeakPolarHBondContact O-CZ3 3.22Å; G713-W751 VanDerWaalsContact C-CH2 3.49Å; D714-W751 HydrophobicContact CB-CH2 4.48Å; D714-W751 WeakPolarHBondContact OD1-CH2 3.39Å; N747-W751 WeakPolarHBondContact O-CB 3.46Å; N747-W751 PolarHBondContact O-N 3.06Å; N748-W751 PolarHBondContact O-N 3.36Å; W751-L753 VanDerWaalsContact C-N 3.33Å; W751-L753 PolarHBondContact O-N 2.89Å; W751-G754 WeakPolarHBondContact O-CA 3.49Å; W751-G754 PolarHBondContact O-N 3.23Å; W751-E755 HydrophobicContact CD2-CG 4.43Å; W751-E755 HydrophobicContact CH2-CG 4.48Å; W751-E755 HydrophobicContact CZ2-CG 4.03Å; W751-E755 PolarHBondContact O-N 2.93Å |
| 752 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L712 I734 N748 G754 E755 M756 | L712-A752 HydrophobicContact CD2-CB 4.23Å; L712-A752 HydrophobicContact CG-CB 4.32Å; I734-A752 HydrophobicContact CD1-CB 4.36Å; N748-A752 WeakPolarHBondContact O-CB 3.48Å; N748-A752 PolarHBondContact O-N 3.08Å; A752-G754 VanDerWaalsContact C-N 3.31Å; A752-G754 PolarHBondContact O-N 3.32Å; A752-E755 PolarHBondContact O-N 2.95Å; A752-M756 WeakPolarHBondContact O-CB 3.41Å; A752-M756 VanDerWaalsContact O-CG 3.26Å; A752-M756 WeakPolarHBondContact O-CG 3.44Å; A752-M756 PolarHBondContact O-N 2.87Å |
| 753 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 172.4 | 176.2 | 61.3 | 0 | 0 | 0 | 112.1 | L731 I734 I738 A749 V750 W751 T757 F771 L775 F799 | L731-L753 HydrophobicContact CD2-CD1 3.65Å; I734-L753 HydrophobicContact CD1-CB 4.26Å; I734-L753 HydrophobicContact CG2-CB 4.05Å; I734-L753 HydrophobicContact CG2-CD2 4.32Å; I738-L753 HydrophobicContact CD1-CD2 4Å; A749-L753 WeakPolarHBondContact O-CB 3.47Å; A749-L753 PolarHBondContact O-N 3.27Å; V750-L753 WeakPolarHBondContact O-CB 3.32Å; V750-L753 PolarHBondContact O-N 3.42Å; W751-L753 VanDerWaalsContact C-N 3.33Å; W751-L753 PolarHBondContact O-N 2.89Å; L753-T757 WeakPolarHBondContact O-CB 3.44Å; L753-T757 PolarHBondContact O-N 2.78Å; L753-T757 PolarHBondContact O-OG1 2.81Å; L753-F771 HydrophobicContact CD1-CD2 4.2Å; L753-F771 HydrophobicContact CD1-CE1 4.39Å; L753-F771 HydrophobicContact CD1-CE2 3.97Å; L753-F771 HydrophobicContact CD1-CG 4.5Å; L753-F771 HydrophobicContact CD1-CZ 4.05Å; L753-F771 HydrophobicContact CD2-CB 4.34Å; L753-F771 HydrophobicContact CD2-CD1 3.58Å; L753-F771 HydrophobicContact CD2-CD2 4.39Å; L753-F771 HydrophobicContact CD2-CE1 3.85Å; L753-F771 HydrophobicContact CD2-CG 3.86Å; L753-F771 HydrophobicContact CD2-CZ 4.34Å; L753-L775 HydrophobicContact CD2-CD1 4.19Å; L753-F799 HydrophobicContact CD1-CE1 4.27Å; L753-F799 HydrophobicContact CD1-CZ 4.34Å; L753-F799 HydrophobicContact CD2-CE1 4.36Å; L753-F799 HydrophobicContact CD2-CZ 3.98Å; L753-F799 HydrophobicContact CG-CE1 4.12Å; L753-F799 HydrophobicContact CG-CZ 4.21Å |
| 754 | G | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V750 W751 A752 R798 | V750-G754 PolarHBondContact O-N 3.26Å; W751-G754 WeakPolarHBondContact O-CA 3.49Å; W751-G754 PolarHBondContact O-N 3.23Å; A752-G754 VanDerWaalsContact C-N 3.31Å; A752-G754 PolarHBondContact O-N 3.32Å; G754-R798 WeakPolarHBondContact O-CD 3.38Å; G754-R798 PolarHBondContact O-NH1 3.19Å |
| 755 | E | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70 | -46.1 | 177.4 | -68.1 | -53.4 | 121.1 | 0 | 0 | 112 | A716 K717 W751 A752 T757 V758 R798 | A716-E755 HydrophobicContact CB-CB 4.16Å; K717-E755 HydrophobicContact CB-CG 4.48Å; W751-E755 HydrophobicContact CD2-CG 4.43Å; W751-E755 HydrophobicContact CH2-CG 4.48Å; W751-E755 HydrophobicContact CZ2-CG 4.03Å; W751-E755 PolarHBondContact O-N 2.93Å; A752-E755 PolarHBondContact O-N 2.95Å; E755-T757 PolarHBondContact O-N 3.11Å; E755-V758 WeakPolarHBondContact O-CB 3.25Å; E755-V758 PolarHBondContact O-N 3.49Å; E755-V758 VanDerWaalsContact O-N 3.12Å; E755-R798 IonicContact OE1-CZ 3.52Å; E755-R798 IonicContact OE1-NH1 2.76Å; E755-R798 PolarHBondContact OE1-NH1 2.92Å; E755-R798 IonicContact OE1-NH2 3.61Å; E755-R798 PolarHBondContact OE1-NH2 3.4Å |
| 756 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -37.6 | 175.5 | -70.2 | 177.9 | 69.9 | 0 | 0 | 112.2 | L712 A716 W720 V723 T727 F730 L731 I734 A752 V758 H759 L760 | L712-M756 HydrophobicContact CD2-SD 4.27Å; A716-M756 HydrophobicContact CB-CG 3.75Å; W720-M756 HydrophobicContact CZ3-CB 4.33Å; W720-M756 HydrophobicContact CZ3-CG 4.19Å; V723-M756 HydrophobicContact CG1-CE 4.31Å; T727-M756 HydrophobicContact CG2-CE 4.23Å; F730-M756 HydrophobicContact CB-CE 3.99Å; F730-M756 HydrophobicContact CB-SD 4.28Å; L731-M756 HydrophobicContact CD2-CE 4.08Å; L731-M756 HydrophobicContact CG-CE 4.02Å; I734-M756 HydrophobicContact CD1-SD 3.7Å; A752-M756 WeakPolarHBondContact O-CB 3.41Å; A752-M756 VanDerWaalsContact O-CG 3.26Å; A752-M756 WeakPolarHBondContact O-CG 3.44Å; A752-M756 PolarHBondContact O-N 2.87Å; M756-V758 PolarHBondContact O-N 2.79Å; M756-H759 PolarHBondContact O-N 3.41Å; M756-H759 VanDerWaalsContact O-N 3.08Å; M756-L760 HydrophobicContact CB-CD1 4.09Å; M756-L760 VanDerWaalsContact O-CG 3.3Å; M756-L760 WeakPolarHBondContact O-CG 3.49Å; M756-L760 PolarHBondContact O-N 3.48Å |
| 757 | T | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -36 | 179.2 | -67 | 0 | 0 | 0 | 0 | 112.7 | L753 E755 H759 L764 R798 F799 | L753-T757 WeakPolarHBondContact O-CB 3.44Å; L753-T757 PolarHBondContact O-N 2.78Å; L753-T757 PolarHBondContact O-OG1 2.81Å; E755-T757 PolarHBondContact O-N 3.11Å; T757-H759 PolarHBondContact O-N 3.12Å; T757-L764 HydrophobicContact CG2-CD2 3.87Å; T757-R798 VanDerWaalsContact CG2-C 3.48Å; T757-R798 HydrophobicContact CG2-CB 3.67Å; T757-R798 WeakPolarHBondContact CG2-O 3.41Å; T757-F799 HydrophobicContact CG2-CD1 3.79Å; T757-F799 HydrophobicContact CG2-CE1 4.42Å; T757-F799 WeakPolarHBondContact OG1-CE1 3.45Å |
| 758 | V | 96.1 | Very high | 97.4 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 36% | 0.358 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.3 | -34.2 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | E755 M756 | E755-V758 WeakPolarHBondContact O-CB 3.25Å; E755-V758 PolarHBondContact O-N 3.49Å; E755-V758 VanDerWaalsContact O-N 3.12Å; M756-V758 PolarHBondContact O-N 2.79Å |
| 759 | H | 96.7 | Very high | 97.2 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -100.3 | -29.2 | -175.4 | -63.4 | -78.1 | 0 | 0 | 0 | 114.9 | A716 W720 M756 T757 G761 | A716-H759 PolarHBondContact O-CD2 3.3Å; A716-H759 VanDerWaalsContact O-CD2 3.25Å; A716-H759 PolarHBondContact O-NE2 2.56Å; W720-H759 HydrophobicContact CD2-CB 3.41Å; W720-H759 VanDerWaalsContact CD2-CB 3.41Å; W720-H759 AromaticContact CD2-CG 3.83Å; W720-H759 HydrophobicContact CE3-CB 3.87Å; W720-H759 HydrophobicContact CG-CB 3.75Å; W720-H759 AromaticContact CG-CG 3.75Å; W720-H759 AromaticContact CG-ND1 3.95Å; W720-H759 HydrophobicContact CH2-CB 4.18Å; W720-H759 HydrophobicContact CZ2-CB 3.76Å; W720-H759 HydrophobicContact CZ3-CB 4.24Å; M756-H759 PolarHBondContact O-N 3.41Å; M756-H759 VanDerWaalsContact O-N 3.08Å; T757-H759 PolarHBondContact O-N 3.12Å; H759-G761 VanDerWaalsContact C-N 3.33Å; H759-G761 PolarHBondContact O-N 2.93Å |
| 760 | L | 97.1 | Very high | 97 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | -179.2 | -78.1 | 166.9 | 0 | 0 | 0 | 112.9 | W720 T727 L731 M756 T762 D763 L764 | W720-L760 HydrophobicContact CH2-CD2 3.86Å; W720-L760 HydrophobicContact CH2-CG 3.86Å; W720-L760 HydrophobicContact CZ2-CD2 4.15Å; W720-L760 HydrophobicContact CZ2-CG 4.3Å; T727-L760 HydrophobicContact CG2-CD2 3.63Å; L731-L760 HydrophobicContact CD1-CD1 4.07Å; L731-L760 HydrophobicContact CD2-CD1 4.16Å; M756-L760 HydrophobicContact CB-CD1 4.09Å; M756-L760 VanDerWaalsContact O-CG 3.3Å; M756-L760 WeakPolarHBondContact O-CG 3.49Å; M756-L760 PolarHBondContact O-N 3.48Å; L760-T762 PolarHBondContact O-N 2.72Å; L760-D763 HydrophobicContact CD2-CB 4.26Å; L760-D763 WeakPolarHBondContact O-CB 3.36Å; L760-D763 PolarHBondContact O-N 3.38Å; L760-L764 HydrophobicContact CB-CB 4.04Å; L760-L764 HydrophobicContact CD1-CB 4.26Å; L760-L764 HydrophobicContact CD1-CD1 3.91Å |
| 761 | G | 93.4 | Very high | 97 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | 54.6 | -126.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | H759 D763 L764 Q802 N803 | H759-G761 VanDerWaalsContact C-N 3.33Å; H759-G761 PolarHBondContact O-N 2.93Å; G761-D763 PolarHBondContact O-N 3.18Å; G761-L764 PolarHBondContact O-N 3.05Å; G761-Q802 VanDerWaalsContact CA-NE2 3.26Å; G761-N803 PolarHBondContact O-ND2 3.44Å |
| 762 | T | 96 | Very high | 97 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 52% | 0.515 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -69.2 | -15.5 | 178.5 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | L760 L764 K765 Q802 | L760-T762 PolarHBondContact O-N 2.72Å; T762-L764 PolarHBondContact O-N 3.34Å; T762-K765 WeakPolarHBondContact O-CB 3.37Å; T762-K765 PolarHBondContact O-N 2.97Å; T762-K765 VanDerWaalsContact O-N 3.1Å; T762-Q802 HydrophobicContact CG2-CB 4.29Å |
| 763 | D | 96.5 | Very high | 96.9 | Very high | 100 Ų | 100 | 40.5 Ų | 40.5 | 54% | 0.535 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -69.2 | -18.3 | 178.5 | -63.1 | -17.8 | 0 | 0 | 0 | 111.5 | L760 G761 K765 P766 | L760-D763 HydrophobicContact CD2-CB 4.26Å; L760-D763 WeakPolarHBondContact O-CB 3.36Å; L760-D763 PolarHBondContact O-N 3.38Å; G761-D763 PolarHBondContact O-N 3.18Å; D763-K765 VanDerWaalsContact C-N 3.28Å; D763-K765 PolarHBondContact O-N 2.82Å; D763-P766 WeakPolarHBondContact O-CD 3.48Å |
| 764 | L | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -70.7 | -22.4 | 172.5 | -177.2 | 66.7 | 0 | 0 | 0 | 112.8 | L731 T757 L760 G761 T762 P766 Y767 V768 F799 | L731-L764 HydrophobicContact CD2-CD1 4.41Å; T757-L764 HydrophobicContact CG2-CD2 3.87Å; L760-L764 HydrophobicContact CB-CB 4.04Å; L760-L764 HydrophobicContact CD1-CB 4.26Å; L760-L764 HydrophobicContact CD1-CD1 3.91Å; G761-L764 PolarHBondContact O-N 3.05Å; T762-L764 PolarHBondContact O-N 3.34Å; L764-P766 VanDerWaalsContact C-N 3.32Å; L764-P766 WeakPolarHBondContact O-CD 3.36Å; L764-P766 VanDerWaalsContact O-N 3.08Å; L764-Y767 PolarHBondContact O-N 3.33Å; L764-V768 HydrophobicContact CD2-CG2 4.33Å; L764-V768 HydrophobicContact CG-CG2 4.01Å; L764-V768 PolarHBondContact O-N 3.41Å; L764-F799 HydrophobicContact CD2-CB 4.43Å; L764-F799 HydrophobicContact CD2-CD1 3.49Å; L764-F799 VanDerWaalsContact CD2-CD1 3.49Å; L764-F799 HydrophobicContact CD2-CE1 3.78Å; L764-F799 HydrophobicContact CD2-CG 3.96Å; L764-F799 HydrophobicContact CD2-CZ 4.47Å |
| 765 | K | 97.3 | Very high | 96.8 | Very high | 108 Ų | 108 | 42.5 Ų | 42.5 | 47% | 0.47 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -45.5 | -172.6 | -171 | 177.6 | -175.4 | 167.8 | 0 | 114.8 | T762 D763 Y767 N803 E806 | T762-K765 WeakPolarHBondContact O-CB 3.37Å; T762-K765 PolarHBondContact O-N 2.97Å; T762-K765 VanDerWaalsContact O-N 3.1Å; D763-K765 VanDerWaalsContact C-N 3.28Å; D763-K765 PolarHBondContact O-N 2.82Å; K765-Y767 PolarHBondContact O-N 3.44Å; K765-N803 WeakPolarHBondContact CA-OD1 3.48Å; K765-N803 WeakPolarHBondContact CB-OD1 3.4Å; K765-N803 PolarHBondContact N-OD1 3.18Å; K765-E806 WeakPolarHBondContact CE-OE1 3.36Å; K765-E806 HydrophobicContact CG-CG 3.86Å; K765-E806 IonicContact NZ-OE1 3.65Å |
| 766 | P | 96.7 | Very high | 96.7 | Very high | 103 Ų | 103 | 43.1 Ų | 43.1 | 67% | 0.669 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.4 | -179.5 | -19.7 | 34.3 | 0 | 0 | 0 | 114 | D763 L764 | D763-P766 WeakPolarHBondContact O-CD 3.48Å; L764-P766 VanDerWaalsContact C-N 3.32Å; L764-P766 WeakPolarHBondContact O-CD 3.36Å; L764-P766 VanDerWaalsContact O-N 3.08Å |
| 767 | Y | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 50 Ų | 50 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -19.3 | -172.7 | -54.5 | -87.2 | 0 | 0 | 0 | 113.5 | D728 L731 L764 K765 K769 A770 F771 | D728-Y767 PolarHBondContact OD1-OH 3.45Å; L731-Y767 HydrophobicContact CB-CD1 4.17Å; L731-Y767 HydrophobicContact CB-CE1 4.32Å; L731-Y767 HydrophobicContact CD1-CD1 4.05Å; L731-Y767 HydrophobicContact CD1-CD2 3.58Å; L731-Y767 HydrophobicContact CD1-CE1 4.19Å; L731-Y767 HydrophobicContact CD1-CE2 3.76Å; L731-Y767 HydrophobicContact CD1-CG 3.76Å; L764-Y767 PolarHBondContact O-N 3.33Å; K765-Y767 PolarHBondContact O-N 3.44Å; Y767-K769 VanDerWaalsContact C-N 3.28Å; Y767-K769 PolarHBondContact O-N 2.79Å; Y767-K769 VanDerWaalsContact O-N 3.13Å; Y767-A770 WeakPolarHBondContact O-CB 3.34Å; Y767-A770 PolarHBondContact O-N 3.33Å; Y767-F771 WeakPolarHBondContact O-CD2 3.35Å; Y767-F771 PolarHBondContact O-N 2.84Å |
| 768 | V | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -47.6 | -49.2 | -174.6 | 174 | 0 | 0 | 0 | 0 | 112 | L764 A770 F771 V772 F799 N803 E806 V807 | L764-V768 HydrophobicContact CD2-CG2 4.33Å; L764-V768 HydrophobicContact CG-CG2 4.01Å; L764-V768 PolarHBondContact O-N 3.41Å; V768-A770 VanDerWaalsContact C-N 3.27Å; V768-A770 PolarHBondContact O-N 2.8Å; V768-F771 PolarHBondContact O-N 3.33Å; V768-F771 VanDerWaalsContact O-N 3.12Å; V768-V772 HydrophobicContact CG1-CG2 3.69Å; V768-V772 VanDerWaalsContact O-CG2 3.29Å; V768-V772 WeakPolarHBondContact O-CG2 3.38Å; V768-V772 PolarHBondContact O-N 2.62Å; V768-F799 HydrophobicContact CG1-CD2 4.21Å; V768-N803 HydrophobicContact CG2-CB 3.97Å; V768-E806 HydrophobicContact CB-CB 4.08Å; V768-E806 HydrophobicContact CG1-CB 3.77Å; V768-E806 HydrophobicContact CG2-CB 4.34Å; V768-V807 HydrophobicContact CG1-CG2 3.82Å |
| 769 | K | 94.7 | Very high | 96.4 | Very high | 132 Ų | 132 | 47.4 Ų | 47.4 | 57% | 0.574 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.1 | -30.8 | -177.6 | -68.3 | -177.8 | -178.1 | 173.9 | 0 | 113.8 | Y767 F771 E806 | Y767-K769 VanDerWaalsContact C-N 3.28Å; Y767-K769 PolarHBondContact O-N 2.79Å; Y767-K769 VanDerWaalsContact O-N 3.13Å; K769-F771 VanDerWaalsContact C-N 3.32Å; K769-E806 WeakPolarHBondContact CE-OE2 3.25Å; K769-E806 IonicContact NZ-OE2 2.6Å |
| 770 | A | 96.1 | Very high | 96 | Very high | 63 Ų | 63 | 46 Ų | 46 | 52% | 0.521 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.2 | -29 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y767 V768 P774 | Y767-A770 WeakPolarHBondContact O-CB 3.34Å; Y767-A770 PolarHBondContact O-N 3.33Å; V768-A770 VanDerWaalsContact C-N 3.27Å; V768-A770 PolarHBondContact O-N 2.8Å; A770-P774 VanDerWaalsContact O-CD 3.24Å; A770-P774 WeakPolarHBondContact O-CD 3.29Å; A770-P774 WeakPolarHBondContact O-CG 3.14Å |
| 771 | F | 98.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -95.7 | -33.4 | -176.8 | -71.6 | -62.9 | 0 | 0 | 0 | 114.3 | L731 I734 I738 L753 Y767 V768 K769 G773 P774 L775 F799 | L731-F771 HydrophobicContact CB-CE2 4.36Å; L731-F771 HydrophobicContact CB-CZ 4.32Å; L731-F771 HydrophobicContact CD2-CE2 3.99Å; L731-F771 HydrophobicContact CD2-CZ 4.2Å; L731-F771 VanDerWaalsContact O-CZ 3.32Å; L731-F771 WeakPolarHBondContact O-CZ 3.4Å; I734-F771 HydrophobicContact CG2-CE1 3.95Å; I734-F771 HydrophobicContact CG2-CZ 4.38Å; I738-F771 HydrophobicContact CD1-CD1 3.47Å; I738-F771 VanDerWaalsContact CD1-CD1 3.47Å; I738-F771 HydrophobicContact CD1-CE1 3.65Å; L753-F771 HydrophobicContact CD1-CD2 4.2Å; L753-F771 HydrophobicContact CD1-CE1 4.39Å; L753-F771 HydrophobicContact CD1-CE2 3.97Å; L753-F771 HydrophobicContact CD1-CG 4.5Å; L753-F771 HydrophobicContact CD1-CZ 4.05Å; L753-F771 HydrophobicContact CD2-CB 4.34Å; L753-F771 HydrophobicContact CD2-CD1 3.58Å; L753-F771 HydrophobicContact CD2-CD2 4.39Å; L753-F771 HydrophobicContact CD2-CE1 3.85Å; L753-F771 HydrophobicContact CD2-CG 3.86Å; L753-F771 HydrophobicContact CD2-CZ 4.34Å; Y767-F771 WeakPolarHBondContact O-CD2 3.35Å; Y767-F771 PolarHBondContact O-N 2.84Å; V768-F771 PolarHBondContact O-N 3.33Å; V768-F771 VanDerWaalsContact O-N 3.12Å; K769-F771 VanDerWaalsContact C-N 3.32Å; F771-G773 PolarHBondContact O-N 2.85Å; F771-P774 WeakPolarHBondContact O-CD 3.37Å; F771-L775 HydrophobicContact CB-CD1 4.3Å; F771-L775 WeakPolarHBondContact O-CB 3.23Å; F771-L775 VanDerWaalsContact O-CG 3.25Å; F771-L775 WeakPolarHBondContact O-CG 3.26Å; F771-L775 PolarHBondContact O-N 3.47Å; F771-F799 HydrophobicContact CB-CE2 3.64Å; F771-F799 HydrophobicContact CB-CZ 3.68Å; F771-F799 HydrophobicContact CD2-CZ 4.43Å; F771-F799 HydrophobicContact CG-CZ 4.25Å |
| 772 | V | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | -174.6 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | V768 L775 L776 L796 F799 Y810 | V768-V772 HydrophobicContact CG1-CG2 3.69Å; V768-V772 VanDerWaalsContact O-CG2 3.29Å; V768-V772 WeakPolarHBondContact O-CG2 3.38Å; V768-V772 PolarHBondContact O-N 2.62Å; V772-L775 PolarHBondContact O-N 2.66Å; V772-L776 HydrophobicContact CG1-CD1 3.68Å; V772-L776 HydrophobicContact CG1-CG 4.2Å; V772-L776 WeakPolarHBondContact O-CB 3.49Å; V772-L776 VanDerWaalsContact O-CG 3.25Å; V772-L776 WeakPolarHBondContact O-CG 3.26Å; V772-L776 PolarHBondContact O-N 2.98Å; V772-L796 HydrophobicContact CB-CD2 4.27Å; V772-L796 HydrophobicContact CG1-CD2 4.21Å; V772-L796 HydrophobicContact CG2-CD2 3.92Å; V772-F799 HydrophobicContact CG2-CD2 3.99Å; V772-F799 HydrophobicContact CG2-CE2 4.16Å; V772-Y810 HydrophobicContact CB-CD2 4.41Å; V772-Y810 HydrophobicContact CB-CE2 4.43Å; V772-Y810 HydrophobicContact CG1-CD1 3.79Å; V772-Y810 HydrophobicContact CG1-CD2 3.65Å; V772-Y810 HydrophobicContact CG1-CE1 4.19Å; V772-Y810 HydrophobicContact CG1-CE2 4.08Å; V772-Y810 HydrophobicContact CG1-CG 3.49Å; V772-Y810 VanDerWaalsContact CG1-CG 3.49Å |
| 773 | G | 95.5 | Very high | 94.7 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.1 | -57.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F771 L775 L776 Q777 | F771-G773 PolarHBondContact O-N 2.85Å; G773-L775 VanDerWaalsContact C-N 3.35Å; G773-L775 PolarHBondContact O-N 3.2Å; G773-L776 PolarHBondContact O-N 3Å; G773-Q777 WeakPolarHBondContact O-CG 3.4Å; G773-Q777 PolarHBondContact O-N 2.74Å |
| 774 | P | 96.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 29% | 0.292 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.1 | -42 | 176.6 | -29.4 | 36.6 | 0 | 0 | 0 | 114.3 | I738 A770 F771 Q777 I778 | I738-P774 HydrophobicContact CG2-CB 3.81Å; A770-P774 VanDerWaalsContact O-CD 3.24Å; A770-P774 WeakPolarHBondContact O-CD 3.29Å; A770-P774 WeakPolarHBondContact O-CG 3.14Å; F771-P774 WeakPolarHBondContact O-CD 3.37Å; P774-Q777 WeakPolarHBondContact O-CB 3.35Å; P774-Q777 PolarHBondContact O-N 3.26Å; P774-I778 PolarHBondContact O-N 3.29Å; P774-I778 VanDerWaalsContact O-N 3.09Å |
| 775 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 179.1 | -65.6 | 175.7 | 0 | 0 | 0 | 112.5 | I738 V750 L753 F771 V772 G773 Q777 I778 M779 A792 A795 L796 F799 | I738-L775 HydrophobicContact CD1-CD2 4.25Å; I738-L775 HydrophobicContact CG2-CD2 4.43Å; V750-L775 HydrophobicContact CB-CD2 4.49Å; V750-L775 HydrophobicContact CG1-CD2 3.88Å; V750-L775 HydrophobicContact CG2-CD2 3.76Å; L753-L775 HydrophobicContact CD2-CD1 4.19Å; F771-L775 HydrophobicContact CB-CD1 4.3Å; F771-L775 WeakPolarHBondContact O-CB 3.23Å; F771-L775 VanDerWaalsContact O-CG 3.25Å; F771-L775 WeakPolarHBondContact O-CG 3.26Å; F771-L775 PolarHBondContact O-N 3.47Å; V772-L775 PolarHBondContact O-N 2.66Å; G773-L775 VanDerWaalsContact C-N 3.35Å; G773-L775 PolarHBondContact O-N 3.2Å; L775-Q777 VanDerWaalsContact C-N 3.34Å; L775-I778 HydrophobicContact CD2-CD1 4.44Å; L775-I778 PolarHBondContact O-N 3.24Å; L775-M779 WeakPolarHBondContact O-CG 3.23Å; L775-M779 PolarHBondContact O-N 3.1Å; L775-M779 VanDerWaalsContact O-N 3.08Å; L775-A792 HydrophobicContact CD2-CB 4.03Å; L775-A795 HydrophobicContact CD1-CB 4.36Å; L775-L796 HydrophobicContact CB-CD1 3.51Å; L775-L796 HydrophobicContact CB-CD2 4.14Å; L775-L796 HydrophobicContact CB-CG 3.76Å; L775-L796 HydrophobicContact CD1-CD2 4.15Å; L775-L796 HydrophobicContact CD1-CG 3.85Å; L775-L796 HydrophobicContact CG-CG 4.47Å; L775-F799 HydrophobicContact CD1-CE2 4.12Å; L775-F799 HydrophobicContact CD1-CZ 3.95Å |
| 776 | L | 96.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 56 Ų | 56 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | 172.9 | -75.6 | 173.1 | 0 | 0 | 0 | 112.1 | V772 G773 I778 M779 G780 L796 Y810 E813 L814 | V772-L776 HydrophobicContact CG1-CD1 3.68Å; V772-L776 HydrophobicContact CG1-CG 4.2Å; V772-L776 WeakPolarHBondContact O-CB 3.49Å; V772-L776 VanDerWaalsContact O-CG 3.25Å; V772-L776 WeakPolarHBondContact O-CG 3.26Å; V772-L776 PolarHBondContact O-N 2.98Å; G773-L776 PolarHBondContact O-N 3Å; L776-I778 VanDerWaalsContact C-N 3.34Å; L776-M779 PolarHBondContact O-N 3.1Å; L776-G780 PolarHBondContact O-N 2.87Å; L776-L796 HydrophobicContact CD2-CD1 4.33Å; L776-L796 HydrophobicContact CG-CD1 4.48Å; L776-Y810 HydrophobicContact CD1-CD1 4.26Å; L776-E813 HydrophobicContact CD1-CB 4.26Å; L776-L814 HydrophobicContact CD2-CB 3.9Å; L776-L814 HydrophobicContact CD2-CD1 3.78Å; L776-L814 HydrophobicContact CD2-CG 4.47Å |
| 777 | Q | 94.9 | Very high | 93.7 | Very high | 143 Ų | 143 | 54.7 Ų | 54.7 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 175.1 | -71.5 | 178.7 | -7.7 | 0 | 0 | 111.7 | G773 P774 L775 G780 R781 | G773-Q777 WeakPolarHBondContact O-CG 3.4Å; G773-Q777 PolarHBondContact O-N 2.74Å; P774-Q777 WeakPolarHBondContact O-CB 3.35Å; P774-Q777 PolarHBondContact O-N 3.26Å; L775-Q777 VanDerWaalsContact C-N 3.34Å; Q777-G780 PolarHBondContact O-N 3.33Å; Q777-R781 WeakPolarHBondContact O-CG 3.27Å; Q777-R781 PolarHBondContact O-N 3.27Å |
| 778 | I | 96.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -49.4 | 174.5 | -75.5 | 165.9 | 0 | 0 | 0 | 110.8 | I738 P740 V750 P774 L775 L776 G780 R781 V784 L788 A792 | I738-I778 HydrophobicContact CG2-CD1 3.5Å; I738-I778 VanDerWaalsContact CG2-CD1 3.5Å; P740-I778 HydrophobicContact CB-CG1 4.47Å; V750-I778 HydrophobicContact CG2-CD1 4.47Å; P774-I778 PolarHBondContact O-N 3.29Å; P774-I778 VanDerWaalsContact O-N 3.09Å; L775-I778 HydrophobicContact CD2-CD1 4.44Å; L775-I778 PolarHBondContact O-N 3.24Å; L776-I778 VanDerWaalsContact C-N 3.34Å; I778-G780 VanDerWaalsContact C-N 3.26Å; I778-G780 PolarHBondContact O-N 3.4Å; I778-R781 PolarHBondContact O-N 3.15Å; I778-V784 HydrophobicContact CG2-CG1 4.25Å; I778-L788 HydrophobicContact CD1-CD1 4.35Å; I778-L788 HydrophobicContact CG2-CD1 4.19Å; I778-L788 HydrophobicContact CG2-CD2 4.38Å; I778-L788 HydrophobicContact CG2-CG 3.79Å; I778-A792 HydrophobicContact CB-CB 4.44Å; I778-A792 HydrophobicContact CG2-CB 3.82Å |
| 779 | M | 93.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -22.5 | -178.8 | -68.3 | 177.1 | 60.9 | 0 | 0 | 114.3 | L775 L776 V789 A792 A793 L796 L814 H817 W818 | L775-M779 WeakPolarHBondContact O-CG 3.23Å; L775-M779 PolarHBondContact O-N 3.1Å; L775-M779 VanDerWaalsContact O-N 3.08Å; L776-M779 PolarHBondContact O-N 3.1Å; M779-V789 HydrophobicContact CG-CG1 4.38Å; M779-A792 HydrophobicContact CG-CB 3.87Å; M779-A792 HydrophobicContact SD-CB 4.42Å; M779-A793 HydrophobicContact CE-CB 3.72Å; M779-A793 HydrophobicContact SD-CB 3.98Å; M779-L796 HydrophobicContact SD-CD1 3.42Å; M779-L796 WeakPolarHBondContact SD-CD1 3.28Å; M779-L814 HydrophobicContact CE-CD1 4.36Å; M779-L814 HydrophobicContact SD-CD1 4.34Å; M779-H817 HydrophobicContact CB-CB 4.3Å; M779-H817 HydrophobicContact CE-CB 3.94Å; M779-W818 HydrophobicContact CE-CB 3.77Å; M779-W818 HydrophobicContact CE-CG 4.38Å; M779-W818 VanDerWaalsContact CE-N 3.28Å |
| 780 | G | 89.7 | Confident | 93.7 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 49% | 0.485 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -88 | -8.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L776 Q777 I778 | L776-G780 PolarHBondContact O-N 2.87Å; Q777-G780 PolarHBondContact O-N 3.33Å; I778-G780 VanDerWaalsContact C-N 3.26Å; I778-G780 PolarHBondContact O-N 3.4Å |
| 781 | R | 88.4 | Confident | 93.8 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | trans | -90 | 132.2 | -178.4 | -84.6 | -178.2 | 77.1 | 168.9 | 2.5 | 111.4 | Q777 I778 D783 V784 | Q777-R781 WeakPolarHBondContact O-CG 3.27Å; Q777-R781 PolarHBondContact O-N 3.27Å; I778-R781 PolarHBondContact O-N 3.15Å; R781-D783 WeakPolarHBondContact CB-OD1 3.43Å; R781-D783 IonicContact CZ-OD1 2.8Å; R781-D783 IonicContact CZ-OD2 2.7Å; R781-D783 IonicContact NE-OD1 2.82Å; R781-D783 PolarHBondContact NE-OD1 3.4Å; R781-D783 IonicContact NE-OD2 3.77Å; R781-D783 PolarHBondContact NE-OD2 2.97Å; R781-D783 IonicContact NH2-OD1 3.19Å; R781-D783 IonicContact NH2-OD2 2.64Å; R781-D783 PolarHBondContact NH2-OD2 2.96Å; R781-V784 HydrophobicContact CB-CB 4.29Å; R781-V784 HydrophobicContact CB-CG2 3.54Å; R781-V784 HydrophobicContact CG-CG2 4.35Å | ||
| 782 | A | 83.1 | Confident | 93.8 | Very high | 111 Ų | 111 | 46.3 Ų | 46.3 | 92% | 0.917 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -16.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 783 | D | 86.9 | Confident | 93.8 | Very high | 112 Ų | 112 | 46.2 Ų | 46.2 | 60% | 0.599 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3.3 | -176.7 | 62.1 | -34.1 | 0 | 0 | 0 | 113.6 | R781 | R781-D783 WeakPolarHBondContact CB-OD1 3.43Å; R781-D783 IonicContact CZ-OD1 2.8Å; R781-D783 IonicContact CZ-OD2 2.7Å; R781-D783 IonicContact NE-OD1 2.82Å; R781-D783 PolarHBondContact NE-OD1 3.4Å; R781-D783 IonicContact NE-OD2 3.77Å; R781-D783 PolarHBondContact NE-OD2 2.97Å; R781-D783 IonicContact NH2-OD1 3.19Å; R781-D783 IonicContact NH2-OD2 2.64Å; R781-D783 PolarHBondContact NH2-OD2 2.96Å |
| 784 | V | 89.2 | Confident | 94 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -93.3 | 146.5 | 179.1 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | P740 I778 R781 L788 V789 | P740-V784 HydrophobicContact CB-CG2 4.11Å; I778-V784 HydrophobicContact CG2-CG1 4.25Å; R781-V784 HydrophobicContact CB-CB 4.29Å; R781-V784 HydrophobicContact CB-CG2 3.54Å; R781-V784 HydrophobicContact CG-CG2 4.35Å; V784-L788 HydrophobicContact CG1-CB 4Å; V784-L788 HydrophobicContact CG1-CD2 3.55Å; V784-L788 HydrophobicContact CG1-CG 3.81Å; V784-V789 HydrophobicContact CB-CG2 4.28Å; V784-V789 HydrophobicContact CG1-CG2 4.09Å |
| 785 | S | 91.2 | Very high | 94 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | trans | -58.9 | 143 | 178.9 | 69.4 | 0 | 0 | 0 | 0 | 112.2 | V743 T787 L788 V789 | V743-S785 WeakPolarHBondContact CG1-OG 3.21Å; S785-T787 VanDerWaalsContact C-N 3.28Å; S785-T787 PolarHBondContact O-N 2.77Å; S785-T787 PolarHBondContact OG-OG1 2.69Å; S785-L788 PolarHBondContact O-N 3.11Å; S785-L788 WeakPolarHBondContact OG-CB 3.25Å; S785-L788 PolarHBondContact OG-N 3Å; S785-V789 PolarHBondContact O-N 3.47Å; S785-V789 VanDerWaalsContact O-N 3.14Å | ||
| 786 | K | 92.5 | Very high | 94 | Very high | 139 Ų | 139 | 43.2 Ų | 43.2 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.9 | -40.4 | -179 | -176.7 | -178.6 | 170.7 | -165.2 | 0 | 112.3 | V789 E790 | K786-V789 PolarHBondContact O-N 3.16Å; K786-E790 WeakPolarHBondContact CE-OE1 3.4Å; K786-E790 IonicContact NZ-OE1 2.89Å; K786-E790 WeakPolarHBondContact O-CG 3.45Å; K786-E790 PolarHBondContact O-N 3.06Å |
| 787 | T | 94 | Very high | 94.1 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 179.4 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | S785 V789 E790 N791 | S785-T787 VanDerWaalsContact C-N 3.28Å; S785-T787 PolarHBondContact O-N 2.77Å; S785-T787 PolarHBondContact OG-OG1 2.69Å; T787-V789 PolarHBondContact O-N 3.26Å; T787-E790 PolarHBondContact O-N 3.49Å; T787-N791 PolarHBondContact O-N 3.04Å |
| 788 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 176.2 | 173.4 | 54.4 | 0 | 0 | 0 | 111.6 | V743 C746 N747 V750 I778 V784 S785 N791 A792 | V743-L788 HydrophobicContact CG1-CD2 4.38Å; C746-L788 HydrophobicContact CB-CD2 4.29Å; N747-L788 HydrophobicContact CB-CB 4.4Å; N747-L788 HydrophobicContact CB-CD1 4.36Å; N747-L788 WeakPolarHBondContact OD1-CA 3.36Å; V750-L788 HydrophobicContact CB-CD1 4.26Å; V750-L788 HydrophobicContact CG2-CD1 3.96Å; I778-L788 HydrophobicContact CD1-CD1 4.35Å; I778-L788 HydrophobicContact CG2-CD1 4.19Å; I778-L788 HydrophobicContact CG2-CD2 4.38Å; I778-L788 HydrophobicContact CG2-CG 3.79Å; V784-L788 HydrophobicContact CG1-CB 4Å; V784-L788 HydrophobicContact CG1-CD2 3.55Å; V784-L788 HydrophobicContact CG1-CG 3.81Å; S785-L788 PolarHBondContact O-N 3.11Å; S785-L788 WeakPolarHBondContact OG-CB 3.25Å; S785-L788 PolarHBondContact OG-N 3Å; L788-N791 PolarHBondContact O-N 3.24Å; L788-A792 WeakPolarHBondContact O-CB 3.36Å; L788-A792 PolarHBondContact O-N 3.24Å |
| 789 | V | 96.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | M779 V784 S785 K786 T787 A792 A793 T821 | M779-V789 HydrophobicContact CG-CG1 4.38Å; V784-V789 HydrophobicContact CB-CG2 4.28Å; V784-V789 HydrophobicContact CG1-CG2 4.09Å; S785-V789 PolarHBondContact O-N 3.47Å; S785-V789 VanDerWaalsContact O-N 3.14Å; K786-V789 PolarHBondContact O-N 3.16Å; T787-V789 PolarHBondContact O-N 3.26Å; V789-A792 PolarHBondContact O-N 3.48Å; V789-A793 WeakPolarHBondContact O-CB 3.42Å; V789-A793 PolarHBondContact O-N 3.47Å; V789-T821 HydrophobicContact CG1-CG2 3.91Å; V789-T821 WeakPolarHBondContact CG1-OG1 3.43Å |
| 790 | E | 96.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 175 | -74.1 | 175.7 | 173.4 | 0 | 0 | 111.6 | K786 T787 A792 A793 I794 T821 I825 | K786-E790 WeakPolarHBondContact CE-OE1 3.4Å; K786-E790 IonicContact NZ-OE1 2.89Å; K786-E790 WeakPolarHBondContact O-CG 3.45Å; K786-E790 PolarHBondContact O-N 3.06Å; T787-E790 PolarHBondContact O-N 3.49Å; E790-A792 PolarHBondContact O-N 2.98Å; E790-A793 PolarHBondContact O-N 2.92Å; E790-I794 WeakPolarHBondContact O-CG1 3.46Å; E790-I794 PolarHBondContact O-N 3.44Å; E790-T821 HydrophobicContact CB-CG2 4.29Å; E790-T821 HydrophobicContact CG-CG2 3.71Å; E790-I825 HydrophobicContact CB-CD1 3.93Å; E790-I825 HydrophobicContact CG-CD1 3.85Å; E790-I825 HydrophobicContact CG-CG1 3.98Å |
| 791 | N | 97.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.4 | -79.5 | -19.5 | 0 | 0 | 0 | 112.5 | N747 V750 T787 L788 I794 A795 | N747-N791 PolarHBondContact OD1-ND2 3.12Å; V750-N791 HydrophobicContact CG1-CB 3.99Å; T787-N791 PolarHBondContact O-N 3.04Å; L788-N791 PolarHBondContact O-N 3.24Å; N791-I794 PolarHBondContact O-N 3.23Å; N791-A795 WeakPolarHBondContact O-CB 3.25Å; N791-A795 PolarHBondContact O-N 3.29Å |
| 792 | A | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V750 L775 I778 M779 L788 V789 E790 A795 L796 | V750-A792 HydrophobicContact CG1-CB 4.23Å; L775-A792 HydrophobicContact CD2-CB 4.03Å; I778-A792 HydrophobicContact CB-CB 4.44Å; I778-A792 HydrophobicContact CG2-CB 3.82Å; M779-A792 HydrophobicContact CG-CB 3.87Å; M779-A792 HydrophobicContact SD-CB 4.42Å; L788-A792 WeakPolarHBondContact O-CB 3.36Å; L788-A792 PolarHBondContact O-N 3.24Å; V789-A792 PolarHBondContact O-N 3.48Å; E790-A792 PolarHBondContact O-N 2.98Å; A792-A795 PolarHBondContact O-N 3.39Å; A792-L796 WeakPolarHBondContact O-CB 3.13Å; A792-L796 WeakPolarHBondContact O-CG 3.49Å; A792-L796 PolarHBondContact O-N 3.46Å |
| 793 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M779 V789 E790 L796 G797 W818 T821 M822 S834 | M779-A793 HydrophobicContact CE-CB 3.72Å; M779-A793 HydrophobicContact SD-CB 3.98Å; V789-A793 WeakPolarHBondContact O-CB 3.42Å; V789-A793 PolarHBondContact O-N 3.47Å; E790-A793 PolarHBondContact O-N 2.92Å; A793-L796 PolarHBondContact O-N 2.87Å; A793-G797 PolarHBondContact O-N 3.44Å; A793-W818 HydrophobicContact CB-CG 4.5Å; A793-W818 VanDerWaalsContact O-CD1 3.3Å; A793-W818 PolarHBondContact O-NE1 2.97Å; A793-T821 HydrophobicContact CB-CG2 3.88Å; A793-M822 HydrophobicContact CB-CG 4.13Å; A793-M822 HydrophobicContact CB-SD 3.77Å; A793-S834 PolarHBondContact O-OG 2.88Å |
| 794 | I | 98.3 | Very high | 96.5 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 5% | 0.046 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.8 | -52.7 | 175.8 | -71.5 | 163.5 | 0 | 0 | 0 | 110 | E790 N791 G797 R798 M822 I825 E830 S834 | E790-I794 WeakPolarHBondContact O-CG1 3.46Å; E790-I794 PolarHBondContact O-N 3.44Å; N791-I794 PolarHBondContact O-N 3.23Å; I794-G797 PolarHBondContact O-N 3.34Å; I794-R798 WeakPolarHBondContact O-CG 3.18Å; I794-R798 PolarHBondContact O-N 3.49Å; I794-M822 HydrophobicContact CG1-CE 4.08Å; I794-M822 HydrophobicContact CG1-SD 4.03Å; I794-I825 HydrophobicContact CD1-CD1 4.08Å; I794-I825 HydrophobicContact CG1-CD1 4.22Å; I794-E830 HydrophobicContact CD1-CB 4.09Å; I794-E830 HydrophobicContact CG1-CB 4.49Å; I794-E830 HydrophobicContact CG2-CB 4.1Å; I794-S834 WeakPolarHBondContact CA-OG 3.28Å; I794-S834 PolarHBondContact O-OG 3.05Å |
| 795 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59 | -49 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | V750 L775 N791 A792 G797 R798 F799 | V750-A795 HydrophobicContact CG1-CB 4.38Å; L775-A795 HydrophobicContact CD1-CB 4.36Å; N791-A795 WeakPolarHBondContact O-CB 3.25Å; N791-A795 PolarHBondContact O-N 3.29Å; A792-A795 PolarHBondContact O-N 3.39Å; A795-G797 VanDerWaalsContact C-N 3.35Å; A795-G797 PolarHBondContact O-N 3.05Å; A795-R798 PolarHBondContact O-N 2.68Å; A795-R798 VanDerWaalsContact O-N 3.12Å; A795-F799 WeakPolarHBondContact O-CD1 3.29Å; A795-F799 PolarHBondContact O-N 3.07Å |
| 796 | L | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 178.2 | -83.7 | 165.1 | 0 | 0 | 0 | 112.8 | V772 L775 L776 M779 A792 A793 F799 L814 | V772-L796 HydrophobicContact CB-CD2 4.27Å; V772-L796 HydrophobicContact CG1-CD2 4.21Å; V772-L796 HydrophobicContact CG2-CD2 3.92Å; L775-L796 HydrophobicContact CB-CD1 3.51Å; L775-L796 HydrophobicContact CB-CD2 4.14Å; L775-L796 HydrophobicContact CB-CG 3.76Å; L775-L796 HydrophobicContact CD1-CD2 4.15Å; L775-L796 HydrophobicContact CD1-CG 3.85Å; L775-L796 HydrophobicContact CG-CG 4.47Å; L776-L796 HydrophobicContact CD2-CD1 4.33Å; L776-L796 HydrophobicContact CG-CD1 4.48Å; M779-L796 HydrophobicContact SD-CD1 3.42Å; M779-L796 WeakPolarHBondContact SD-CD1 3.28Å; A792-L796 WeakPolarHBondContact O-CB 3.13Å; A792-L796 WeakPolarHBondContact O-CG 3.49Å; A792-L796 PolarHBondContact O-N 3.46Å; A793-L796 PolarHBondContact O-N 2.87Å; L796-F799 HydrophobicContact CD2-CD2 4.29Å; L796-F799 HydrophobicContact CD2-CE2 4.43Å; L796-F799 WeakPolarHBondContact O-CB 3.25Å; L796-F799 PolarHBondContact O-N 2.95Å; L796-L814 HydrophobicContact CB-CD1 4.07Å; L796-L814 HydrophobicContact CD1-CD1 3.79Å; L796-L814 HydrophobicContact CG-CD1 4.39Å |
| 797 | G | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A793 I794 A795 F799 G800 S834 G837 | A793-G797 PolarHBondContact O-N 3.44Å; I794-G797 PolarHBondContact O-N 3.34Å; A795-G797 VanDerWaalsContact C-N 3.35Å; A795-G797 PolarHBondContact O-N 3.05Å; G797-F799 VanDerWaalsContact C-N 3.29Å; G797-F799 PolarHBondContact O-N 3.41Å; G797-G800 PolarHBondContact O-N 2.9Å; G797-G800 VanDerWaalsContact O-N 3.08Å; G797-S834 CarbonylContact C-O 3.59Å; G797-S834 WeakPolarHBondContact CA-O 3.32Å; G797-S834 WeakPolarHBondContact CA-OG 3.46Å; G797-G837 CarbonylContact O-C 3.57Å; G797-G837 WeakPolarHBondContact O-CA 3.24Å |
| 798 | R | 98.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.2 | -30.7 | 178 | -75.5 | 179.2 | 169.1 | 174.8 | -1.1 | 113.2 | G754 E755 T757 I794 A795 G800 L801 E830 S833 | G754-R798 WeakPolarHBondContact O-CD 3.38Å; G754-R798 PolarHBondContact O-NH1 3.19Å; E755-R798 IonicContact OE1-CZ 3.52Å; E755-R798 IonicContact OE1-NH1 2.76Å; E755-R798 PolarHBondContact OE1-NH1 2.92Å; E755-R798 IonicContact OE1-NH2 3.61Å; E755-R798 PolarHBondContact OE1-NH2 3.4Å; T757-R798 VanDerWaalsContact CG2-C 3.48Å; T757-R798 HydrophobicContact CG2-CB 3.67Å; T757-R798 WeakPolarHBondContact CG2-O 3.41Å; I794-R798 WeakPolarHBondContact O-CG 3.18Å; I794-R798 PolarHBondContact O-N 3.49Å; A795-R798 PolarHBondContact O-N 2.68Å; A795-R798 VanDerWaalsContact O-N 3.12Å; R798-G800 PolarHBondContact O-N 3.19Å; R798-L801 HydrophobicContact CB-CD1 4.21Å; R798-L801 HydrophobicContact CG-CD1 4.26Å; R798-L801 VanDerWaalsContact O-CB 3.28Å; R798-L801 WeakPolarHBondContact O-CB 3.48Å; R798-L801 WeakPolarHBondContact O-CG 3.36Å; R798-L801 PolarHBondContact O-N 3.44Å; R798-E830 VanDerWaalsContact NH2-CG 3.29Å; R798-S833 PolarHBondContact NE-OG 2.96Å |
| 799 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.9 | -37.2 | 174.1 | -71.8 | 6.6 | 0 | 0 | 0 | 111.7 | L753 T757 L764 V768 F771 V772 L775 A795 L796 G797 L801 N803 V807 | L753-F799 HydrophobicContact CD1-CE1 4.27Å; L753-F799 HydrophobicContact CD1-CZ 4.34Å; L753-F799 HydrophobicContact CD2-CE1 4.36Å; L753-F799 HydrophobicContact CD2-CZ 3.98Å; L753-F799 HydrophobicContact CG-CE1 4.12Å; L753-F799 HydrophobicContact CG-CZ 4.21Å; T757-F799 HydrophobicContact CG2-CD1 3.79Å; T757-F799 HydrophobicContact CG2-CE1 4.42Å; T757-F799 WeakPolarHBondContact OG1-CE1 3.45Å; L764-F799 HydrophobicContact CD2-CB 4.43Å; L764-F799 HydrophobicContact CD2-CD1 3.49Å; L764-F799 VanDerWaalsContact CD2-CD1 3.49Å; L764-F799 HydrophobicContact CD2-CE1 3.78Å; L764-F799 HydrophobicContact CD2-CG 3.96Å; L764-F799 HydrophobicContact CD2-CZ 4.47Å; V768-F799 HydrophobicContact CG1-CD2 4.21Å; F771-F799 HydrophobicContact CB-CE2 3.64Å; F771-F799 HydrophobicContact CB-CZ 3.68Å; F771-F799 HydrophobicContact CD2-CZ 4.43Å; F771-F799 HydrophobicContact CG-CZ 4.25Å; V772-F799 HydrophobicContact CG2-CD2 3.99Å; V772-F799 HydrophobicContact CG2-CE2 4.16Å; L775-F799 HydrophobicContact CD1-CE2 4.12Å; L775-F799 HydrophobicContact CD1-CZ 3.95Å; A795-F799 WeakPolarHBondContact O-CD1 3.29Å; A795-F799 PolarHBondContact O-N 3.07Å; L796-F799 HydrophobicContact CD2-CD2 4.29Å; L796-F799 HydrophobicContact CD2-CE2 4.43Å; L796-F799 WeakPolarHBondContact O-CB 3.25Å; L796-F799 PolarHBondContact O-N 2.95Å; G797-F799 VanDerWaalsContact C-N 3.29Å; G797-F799 PolarHBondContact O-N 3.41Å; F799-L801 PolarHBondContact O-N 3.02Å; F799-N803 WeakPolarHBondContact O-CA 3.49Å; F799-N803 WeakPolarHBondContact O-CB 3.18Å; F799-N803 PolarHBondContact O-N 3.5Å; F799-N803 VanDerWaalsContact O-N 3.08Å; F799-V807 HydrophobicContact CB-CG2 3.68Å; F799-V807 HydrophobicContact CD2-CG2 4.41Å |
| 800 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.1 | -11.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G797 R798 Q802 G837 N840 | G797-G800 PolarHBondContact O-N 2.9Å; G797-G800 VanDerWaalsContact O-N 3.08Å; R798-G800 PolarHBondContact O-N 3.19Å; G800-Q802 VanDerWaalsContact C-N 3.3Å; G800-Q802 PolarHBondContact O-N 3.38Å; G800-G837 VanDerWaalsContact C-CA 3.45Å; G800-G837 CarbonylContact C-O 3.22Å; G800-G837 WeakPolarHBondContact CA-O 3.44Å; G800-N840 VanDerWaalsContact O-CB 3.3Å; G800-N840 WeakPolarHBondContact O-CB 3.36Å; G800-N840 PolarHBondContact O-ND2 3.34Å |
| 801 | L | 97.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 26.4 Ų | 26.4 | 27% | 0.272 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.4 | -43 | -179.5 | -73.7 | 169.9 | 0 | 0 | 0 | 112.1 | R798 F799 S833 R836 N840 | R798-L801 HydrophobicContact CB-CD1 4.21Å; R798-L801 HydrophobicContact CG-CD1 4.26Å; R798-L801 VanDerWaalsContact O-CB 3.28Å; R798-L801 WeakPolarHBondContact O-CB 3.48Å; R798-L801 WeakPolarHBondContact O-CG 3.36Å; R798-L801 PolarHBondContact O-N 3.44Å; F799-L801 PolarHBondContact O-N 3.02Å; L801-S833 WeakPolarHBondContact CD2-O 3.13Å; L801-R836 HydrophobicContact CD2-CB 3.78Å; L801-N840 PolarHBondContact O-ND2 2.94Å |
| 802 | Q | 97.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 27.9 Ų | 27.9 | 54% | 0.537 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -131.4 | -5.9 | 179.5 | -62.9 | -171.3 | 48.5 | 0 | 0 | 113.9 | G761 T762 G800 | G761-Q802 VanDerWaalsContact CA-NE2 3.26Å; T762-Q802 HydrophobicContact CG2-CB 4.29Å; G800-Q802 VanDerWaalsContact C-N 3.3Å; G800-Q802 PolarHBondContact O-N 3.38Å |
| 803 | N | 97.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -123.4 | 33.1 | -178.5 | -51.9 | -80 | 0 | 0 | 0 | 112.2 | G761 K765 V768 F799 D805 E806 V807 | G761-N803 PolarHBondContact O-ND2 3.44Å; K765-N803 WeakPolarHBondContact CA-OD1 3.48Å; K765-N803 WeakPolarHBondContact CB-OD1 3.4Å; K765-N803 PolarHBondContact N-OD1 3.18Å; V768-N803 HydrophobicContact CG2-CB 3.97Å; F799-N803 WeakPolarHBondContact O-CA 3.49Å; F799-N803 WeakPolarHBondContact O-CB 3.18Å; F799-N803 PolarHBondContact O-N 3.5Å; F799-N803 VanDerWaalsContact O-N 3.08Å; N803-D805 VanDerWaalsContact C-N 3.26Å; N803-D805 PolarHBondContact O-N 3.17Å; N803-E806 PolarHBondContact O-N 3.01Å; N803-V807 PolarHBondContact O-N 2.74Å |
| 804 | A | 97.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -51.1 | -43.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E806 V807 A808 N840 V841 A844 | A804-E806 PolarHBondContact O-N 3.09Å; A804-V807 PolarHBondContact O-N 3.39Å; A804-V807 VanDerWaalsContact O-N 3.16Å; A804-A808 VanDerWaalsContact O-CB 3.24Å; A804-A808 WeakPolarHBondContact O-CB 3.38Å; A804-A808 PolarHBondContact O-N 3.4Å; A804-N840 HydrophobicContact CB-CB 3.76Å; A804-V841 HydrophobicContact CB-CG2 4.32Å; A804-A844 HydrophobicContact CB-CB 4.35Å |
| 805 | D | 97.4 | Very high | 97.2 | Very high | 123 Ų | 123 | 33.4 Ų | 33.4 | 66% | 0.658 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61.6 | -28.9 | -179.1 | -64.2 | -33 | 0 | 0 | 0 | 113.7 | N803 P809 | N803-D805 VanDerWaalsContact C-N 3.26Å; N803-D805 PolarHBondContact O-N 3.17Å; D805-P809 WeakPolarHBondContact O-CD 3.31Å |
| 806 | E | 97.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 39 Ų | 39 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -83.9 | -24.8 | 179.3 | -60.8 | -58.6 | 151.9 | 0 | 0 | 112.4 | K765 V768 K769 N803 A804 | K765-E806 WeakPolarHBondContact CE-OE1 3.36Å; K765-E806 HydrophobicContact CG-CG 3.86Å; K765-E806 IonicContact NZ-OE1 3.65Å; V768-E806 HydrophobicContact CB-CB 4.08Å; V768-E806 HydrophobicContact CG1-CB 3.77Å; V768-E806 HydrophobicContact CG2-CB 4.34Å; K769-E806 WeakPolarHBondContact CE-OE2 3.25Å; K769-E806 IonicContact NZ-OE2 2.6Å; N803-E806 PolarHBondContact O-N 3.01Å; A804-E806 PolarHBondContact O-N 3.09Å |
| 807 | V | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -90.3 | -29.7 | 177.4 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | V768 F799 N803 A804 P809 Y810 L814 V841 | V768-V807 HydrophobicContact CG1-CG2 3.82Å; F799-V807 HydrophobicContact CB-CG2 3.68Å; F799-V807 HydrophobicContact CD2-CG2 4.41Å; N803-V807 PolarHBondContact O-N 2.74Å; A804-V807 PolarHBondContact O-N 3.39Å; A804-V807 VanDerWaalsContact O-N 3.16Å; V807-P809 VanDerWaalsContact C-N 3.3Å; V807-P809 VanDerWaalsContact O-N 3.15Å; V807-Y810 WeakPolarHBondContact O-CB 3.44Å; V807-Y810 PolarHBondContact O-N 3.2Å; V807-L814 HydrophobicContact CG1-CD2 4.03Å; V807-V841 HydrophobicContact CB-CG1 4.25Å; V807-V841 HydrophobicContact CB-CG2 3.81Å; V807-V841 HydrophobicContact CG1-CG1 4.01Å; V807-V841 HydrophobicContact CG1-CG2 3.91Å |
| 808 | A | 97.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -51.9 | -33.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A804 Y810 V811 V841 A844 N845 | A804-A808 VanDerWaalsContact O-CB 3.24Å; A804-A808 WeakPolarHBondContact O-CB 3.38Å; A804-A808 PolarHBondContact O-N 3.4Å; A808-Y810 PolarHBondContact O-N 3.29Å; A808-V811 WeakPolarHBondContact O-CG1 3.41Å; A808-V811 PolarHBondContact O-N 3.44Å; A808-V841 HydrophobicContact CB-CG1 4.38Å; A808-A844 HydrophobicContact CB-CB 3.75Å; A808-N845 HydrophobicContact CB-CB 3.84Å; A808-N845 PolarHBondContact O-ND2 2.87Å |
| 809 | P | 97.2 | Very high | 96.9 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -61.3 | -24.2 | 172.9 | -26.1 | 36.7 | 0 | 0 | 0 | 114.2 | D805 V807 | D805-P809 WeakPolarHBondContact O-CD 3.31Å; V807-P809 VanDerWaalsContact C-N 3.3Å; V807-P809 VanDerWaalsContact O-N 3.15Å |
| 810 | Y | 96.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 24% | 0.243 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -99.2 | 1.4 | -175.8 | -55.1 | -87 | 0 | 0 | 0 | 113.3 | V772 L776 V807 A808 S812 E813 L814 | V772-Y810 HydrophobicContact CB-CD2 4.41Å; V772-Y810 HydrophobicContact CB-CE2 4.43Å; V772-Y810 HydrophobicContact CG1-CD1 3.79Å; V772-Y810 HydrophobicContact CG1-CD2 3.65Å; V772-Y810 HydrophobicContact CG1-CE1 4.19Å; V772-Y810 HydrophobicContact CG1-CE2 4.08Å; V772-Y810 HydrophobicContact CG1-CG 3.49Å; V772-Y810 VanDerWaalsContact CG1-CG 3.49Å; L776-Y810 HydrophobicContact CD1-CD1 4.26Å; V807-Y810 WeakPolarHBondContact O-CB 3.44Å; V807-Y810 PolarHBondContact O-N 3.2Å; A808-Y810 PolarHBondContact O-N 3.29Å; Y810-S812 PolarHBondContact O-N 3.28Å; Y810-S812 VanDerWaalsContact O-N 3.15Å; Y810-E813 PolarHBondContact O-N 3.25Å; Y810-L814 WeakPolarHBondContact O-CB 3.38Å; Y810-L814 PolarHBondContact O-N 2.98Å |
| 811 | V | 96 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -33.3 | -171.9 | 72.9 | 0 | 0 | 0 | 0 | 113 | A808 E813 L814 L815 V841 I842 N845 A848 A849 | A808-V811 WeakPolarHBondContact O-CG1 3.41Å; A808-V811 PolarHBondContact O-N 3.44Å; V811-E813 VanDerWaalsContact C-N 3.31Å; V811-E813 PolarHBondContact O-N 2.86Å; V811-L814 PolarHBondContact O-N 2.99Å; V811-L815 HydrophobicContact CG2-CB 4.39Å; V811-L815 WeakPolarHBondContact O-CB 3.37Å; V811-L815 PolarHBondContact O-N 3.28Å; V811-V841 HydrophobicContact CB-CG1 4.09Å; V811-V841 HydrophobicContact CG2-CG1 4.03Å; V811-I842 HydrophobicContact CG2-CG1 4.35Å; V811-N845 HydrophobicContact CG1-CB 4.29Å; V811-A848 HydrophobicContact CG1-CB 3.39Å; V811-A849 HydrophobicContact CG2-CB 4.19Å |
| 812 | S | 94.7 | Very high | 96.6 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.3 | -27.8 | 177.6 | 51 | 0 | 0 | 0 | 0 | 113.7 | Y810 | Y810-S812 PolarHBondContact O-N 3.28Å; Y810-S812 VanDerWaalsContact O-N 3.15Å |
| 813 | E | 94.2 | Very high | 96.5 | Very high | 122 Ų | 122 | 42.6 Ų | 42.6 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -88.1 | -32.5 | 176.8 | -64.7 | 174.3 | -138.4 | 0 | 0 | 111.1 | L776 Y810 V811 H817 | L776-E813 HydrophobicContact CD1-CB 4.26Å; Y810-E813 PolarHBondContact O-N 3.25Å; V811-E813 VanDerWaalsContact C-N 3.31Å; V811-E813 PolarHBondContact O-N 2.86Å; E813-H817 PolarHBondContact O-ND1 3.19Å |
| 814 | L | 96.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.3 | -50 | -177.7 | 178.1 | 61.7 | 0 | 0 | 0 | 113.6 | L776 M779 L796 V807 Y810 V811 R816 H817 W818 L838 | L776-L814 HydrophobicContact CD2-CB 3.9Å; L776-L814 HydrophobicContact CD2-CD1 3.78Å; L776-L814 HydrophobicContact CD2-CG 4.47Å; M779-L814 HydrophobicContact CE-CD1 4.36Å; M779-L814 HydrophobicContact SD-CD1 4.34Å; L796-L814 HydrophobicContact CB-CD1 4.07Å; L796-L814 HydrophobicContact CD1-CD1 3.79Å; L796-L814 HydrophobicContact CG-CD1 4.39Å; V807-L814 HydrophobicContact CG1-CD2 4.03Å; Y810-L814 WeakPolarHBondContact O-CB 3.38Å; Y810-L814 PolarHBondContact O-N 2.98Å; V811-L814 PolarHBondContact O-N 2.99Å; L814-R816 PolarHBondContact O-N 3.16Å; L814-H817 PolarHBondContact O-N 3.49Å; L814-W818 HydrophobicContact CD1-CB 3.97Å; L814-W818 HydrophobicContact CD1-CG 4.33Å; L814-W818 HydrophobicContact CG-CB 4.18Å; L814-W818 VanDerWaalsContact O-CB 3.27Å; L814-W818 WeakPolarHBondContact O-CB 3.44Å; L814-W818 PolarHBondContact O-N 3.07Å; L814-L838 HydrophobicContact CD2-CD1 4.01Å |
| 815 | L | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | -155.1 | -176.9 | 59.4 | 0 | 0 | 0 | 113.1 | V811 C819 L838 I842 A849 D852 F856 | V811-L815 HydrophobicContact CG2-CB 4.39Å; V811-L815 WeakPolarHBondContact O-CB 3.37Å; V811-L815 PolarHBondContact O-N 3.28Å; L815-C819 VanDerWaalsContact O-CB 3.32Å; L815-C819 WeakPolarHBondContact O-CB 3.47Å; L815-C819 PolarHBondContact O-N 3.37Å; L815-C819 PolarHBondContact O-SG 3.29Å; L815-L838 HydrophobicContact CD1-CD1 4.3Å; L815-L838 HydrophobicContact CD1-CD2 3.88Å; L815-L838 HydrophobicContact CD1-CG 4.47Å; L815-I842 HydrophobicContact CD1-CD1 3.93Å; L815-I842 HydrophobicContact CD1-CG1 4.4Å; L815-A849 HydrophobicContact CD2-CB 3.68Å; L815-A849 WeakPolarHBondContact CD2-O 3.42Å; L815-D852 HydrophobicContact CB-CB 4.29Å; L815-D852 HydrophobicContact CD2-CB 3.94Å; L815-D852 HydrophobicContact CG-CB 4.12Å; L815-F856 HydrophobicContact CD1-CB 4.36Å; L815-F856 HydrophobicContact CD1-CD2 4.49Å |
| 816 | R | 95.9 | Very high | 96 | Very high | 118 Ų | 118 | 51.6 Ų | 51.6 | 45% | 0.445 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -56.1 | -179.8 | -178.2 | -178.2 | -60.3 | 176.6 | 2.6 | 112.2 | L814 W818 C819 V820 D852 F855 | L814-R816 PolarHBondContact O-N 3.16Å; R816-W818 VanDerWaalsContact C-N 3.3Å; R816-W818 PolarHBondContact O-N 3.48Å; R816-C819 PolarHBondContact O-N 2.9Å; R816-V820 WeakPolarHBondContact O-CG2 3.46Å; R816-V820 PolarHBondContact O-N 2.87Å; R816-D852 HydrophobicContact CB-CB 4.48Å; R816-D852 IonicContact CZ-OD1 3.59Å; R816-D852 VanDerWaalsContact CZ-OD1 3.27Å; R816-D852 IonicContact NE-OD1 2.92Å; R816-D852 PolarHBondContact NE-OD1 3.1Å; R816-D852 IonicContact NH2-OD1 3.78Å; R816-D852 PolarHBondContact NH2-OD1 2.81Å; R816-F855 HydrophobicContact CB-CD2 4.29Å; R816-F855 HydrophobicContact CB-CE2 4.48Å; R816-F855 HydrophobicContact CG-CD1 4.07Å; R816-F855 HydrophobicContact CG-CD2 3.94Å; R816-F855 HydrophobicContact CG-CE1 3.94Å; R816-F855 HydrophobicContact CG-CE2 3.81Å; R816-F855 HydrophobicContact CG-CG 4.07Å; R816-F855 HydrophobicContact CG-CZ 3.81Å |
| 817 | H | 95.3 | Very high | 95.8 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -44.7 | -177.8 | -62.4 | 99.9 | 0 | 0 | 0 | 110.4 | M779 E813 L814 C819 V820 T821 | M779-H817 HydrophobicContact CB-CB 4.3Å; M779-H817 HydrophobicContact CE-CB 3.94Å; E813-H817 PolarHBondContact O-ND1 3.19Å; L814-H817 PolarHBondContact O-N 3.49Å; H817-C819 PolarHBondContact O-N 3.45Å; H817-V820 PolarHBondContact O-N 3.25Å; H817-T821 PolarHBondContact O-N 3.45Å; H817-T821 PolarHBondContact O-OG1 3.49Å; H817-T821 VanDerWaalsContact O-OG1 3.1Å |
| 818 | W | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 177.5 | -169.5 | 99.2 | 0 | 0 | 0 | 112 | M779 A793 L814 R816 V820 T821 M822 S834 F835 L838 | M779-W818 HydrophobicContact CE-CB 3.77Å; M779-W818 HydrophobicContact CE-CG 4.38Å; M779-W818 VanDerWaalsContact CE-N 3.28Å; A793-W818 HydrophobicContact CB-CG 4.5Å; A793-W818 VanDerWaalsContact O-CD1 3.3Å; A793-W818 PolarHBondContact O-NE1 2.97Å; L814-W818 HydrophobicContact CD1-CB 3.97Å; L814-W818 HydrophobicContact CD1-CG 4.33Å; L814-W818 HydrophobicContact CG-CB 4.18Å; L814-W818 VanDerWaalsContact O-CB 3.27Å; L814-W818 WeakPolarHBondContact O-CB 3.44Å; L814-W818 PolarHBondContact O-N 3.07Å; R816-W818 VanDerWaalsContact C-N 3.3Å; R816-W818 PolarHBondContact O-N 3.48Å; W818-V820 PolarHBondContact O-N 3.1Å; W818-T821 PolarHBondContact O-N 3.32Å; W818-M822 HydrophobicContact CD2-CB 4.25Å; W818-M822 HydrophobicContact CD2-CG 3.46Å; W818-M822 VanDerWaalsContact CD2-CG 3.46Å; W818-M822 VanDerWaalsContact CE2-CG 3.41Å; W818-M822 HydrophobicContact CE3-CB 3.86Å; W818-M822 HydrophobicContact CE3-CG 3.6Å; W818-M822 HydrophobicContact CG-CG 4.15Å; W818-M822 HydrophobicContact CH2-CB 3.92Å; W818-M822 HydrophobicContact CH2-CE 4.33Å; W818-M822 HydrophobicContact CH2-CG 3.7Å; W818-M822 HydrophobicContact CZ2-CB 4.3Å; W818-M822 HydrophobicContact CZ2-CE 4.01Å; W818-M822 HydrophobicContact CZ2-CG 3.57Å; W818-M822 HydrophobicContact CZ2-SD 4.3Å; W818-M822 HydrophobicContact CZ3-CB 3.67Å; W818-M822 HydrophobicContact CZ3-CG 3.71Å; W818-M822 WeakPolarHBondContact O-CB 3.35Å; W818-M822 WeakPolarHBondContact O-CG 3.47Å; W818-M822 PolarHBondContact O-N 3.47Å; W818-S834 VanDerWaalsContact CZ2-OG 3.28Å; W818-S834 WeakPolarHBondContact CZ2-OG 3.17Å; W818-S834 PolarHBondContact NE1-OG 3.21Å; W818-F835 HydrophobicContact CH2-CB 4.27Å; W818-F835 AromaticContact CH2-CD1 3.7Å; W818-F835 HydrophobicContact CH2-CD1 3.7Å; W818-F835 AromaticContact CH2-CD2 3.54Å; W818-F835 HydrophobicContact CH2-CD2 3.54Å; W818-F835 AromaticContact CH2-CE1 3.85Å; W818-F835 HydrophobicContact CH2-CE1 3.85Å; W818-F835 AromaticContact CH2-CE2 3.7Å; W818-F835 HydrophobicContact CH2-CE2 3.7Å; W818-F835 AromaticContact CH2-CG 3.56Å; W818-F835 HydrophobicContact CH2-CG 3.56Å; W818-F835 AromaticContact CH2-CZ 3.87Å; W818-F835 HydrophobicContact CH2-CZ 3.87Å; W818-F835 HydrophobicContact CZ2-CD2 4.39Å; W818-F835 HydrophobicContact CZ3-CD1 4.06Å; W818-F835 HydrophobicContact CZ3-CD2 4.31Å; W818-F835 AromaticContact CZ3-CE1 3.78Å; W818-F835 HydrophobicContact CZ3-CE1 3.78Å; W818-F835 HydrophobicContact CZ3-CE2 4.06Å; W818-F835 HydrophobicContact CZ3-CG 4.34Å; W818-F835 AromaticContact CZ3-CZ 3.79Å; W818-F835 HydrophobicContact CZ3-CZ 3.79Å; W818-L838 HydrophobicContact CD2-CD2 3.62Å; W818-L838 HydrophobicContact CE3-CD2 3.25Å; W818-L838 HydrophobicContact CG-CD2 4.43Å; W818-L838 HydrophobicContact CH2-CB 4.15Å; W818-L838 HydrophobicContact CH2-CD2 3.64Å; W818-L838 HydrophobicContact CZ2-CB 3.92Å; W818-L838 HydrophobicContact CZ2-CD2 3.95Å; W818-L838 HydrophobicContact CZ3-CD2 3.29Å |
| 819 | C | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | -178.8 | -73.8 | 0 | 0 | 0 | 0 | 112.5 | L815 R816 H817 T821 R823 F855 F856 A859 | L815-C819 VanDerWaalsContact O-CB 3.32Å; L815-C819 WeakPolarHBondContact O-CB 3.47Å; L815-C819 PolarHBondContact O-N 3.37Å; L815-C819 PolarHBondContact O-SG 3.29Å; R816-C819 PolarHBondContact O-N 2.9Å; H817-C819 PolarHBondContact O-N 3.45Å; C819-T821 VanDerWaalsContact C-N 3.31Å; C819-T821 PolarHBondContact O-N 3.37Å; C819-R823 WeakPolarHBondContact O-CB 3.3Å; C819-R823 WeakPolarHBondContact O-CG 3.42Å; C819-R823 PolarHBondContact O-N 3.49Å; C819-R823 VanDerWaalsContact O-N 3.08Å; C819-F855 HydrophobicContact CB-CB 3.74Å; C819-F855 WeakPolarHBondContact CB-O 3.48Å; C819-F856 VanDerWaalsContact SG-CA 3.53Å; C819-A859 HydrophobicContact CB-CB 3.79Å |
| 820 | V | 95 | Very high | 95.3 | Very high | 68 Ų | 68 | 60 Ų | 60 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | R816 H817 W818 R823 N824 F855 | R816-V820 WeakPolarHBondContact O-CG2 3.46Å; R816-V820 PolarHBondContact O-N 2.87Å; H817-V820 PolarHBondContact O-N 3.25Å; W818-V820 PolarHBondContact O-N 3.1Å; V820-R823 VanDerWaalsContact O-CG 3.25Å; V820-R823 WeakPolarHBondContact O-CG 3.35Å; V820-N824 PolarHBondContact O-ND2 3.18Å; V820-F855 HydrophobicContact CG2-CD1 4.03Å; V820-F855 HydrophobicContact CG2-CE1 4.3Å |
| 821 | T | 95.7 | Very high | 95.3 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72 | -58.5 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | V789 E790 A793 H817 W818 C819 R823 N824 | V789-T821 HydrophobicContact CG1-CG2 3.91Å; V789-T821 WeakPolarHBondContact CG1-OG1 3.43Å; E790-T821 HydrophobicContact CB-CG2 4.29Å; E790-T821 HydrophobicContact CG-CG2 3.71Å; A793-T821 HydrophobicContact CB-CG2 3.88Å; H817-T821 PolarHBondContact O-N 3.45Å; H817-T821 PolarHBondContact O-OG1 3.49Å; H817-T821 VanDerWaalsContact O-OG1 3.1Å; W818-T821 PolarHBondContact O-N 3.32Å; C819-T821 VanDerWaalsContact C-N 3.31Å; C819-T821 PolarHBondContact O-N 3.37Å; T821-R823 PolarHBondContact O-N 3.17Å; T821-R823 VanDerWaalsContact O-N 3.16Å; T821-N824 PolarHBondContact O-N 2.9Å |
| 822 | M | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -22.4 | -169.8 | -64.6 | -62.3 | -63.7 | 0 | 0 | 114 | A793 I794 W818 N824 I825 K831 F835 | A793-M822 HydrophobicContact CB-CG 4.13Å; A793-M822 HydrophobicContact CB-SD 3.77Å; I794-M822 HydrophobicContact CG1-CE 4.08Å; I794-M822 HydrophobicContact CG1-SD 4.03Å; W818-M822 HydrophobicContact CD2-CB 4.25Å; W818-M822 HydrophobicContact CD2-CG 3.46Å; W818-M822 VanDerWaalsContact CD2-CG 3.46Å; W818-M822 VanDerWaalsContact CE2-CG 3.41Å; W818-M822 HydrophobicContact CE3-CB 3.86Å; W818-M822 HydrophobicContact CE3-CG 3.6Å; W818-M822 HydrophobicContact CG-CG 4.15Å; W818-M822 HydrophobicContact CH2-CB 3.92Å; W818-M822 HydrophobicContact CH2-CE 4.33Å; W818-M822 HydrophobicContact CH2-CG 3.7Å; W818-M822 HydrophobicContact CZ2-CB 4.3Å; W818-M822 HydrophobicContact CZ2-CE 4.01Å; W818-M822 HydrophobicContact CZ2-CG 3.57Å; W818-M822 HydrophobicContact CZ2-SD 4.3Å; W818-M822 HydrophobicContact CZ3-CB 3.67Å; W818-M822 HydrophobicContact CZ3-CG 3.71Å; W818-M822 WeakPolarHBondContact O-CB 3.35Å; W818-M822 WeakPolarHBondContact O-CG 3.47Å; W818-M822 PolarHBondContact O-N 3.47Å; M822-N824 PolarHBondContact O-N 2.94Å; M822-I825 HydrophobicContact CE-CD1 4.03Å; M822-I825 PolarHBondContact O-N 3.24Å; M822-I825 HydrophobicContact SD-CD1 3.46Å; M822-I825 WeakPolarHBondContact SD-CD1 3.35Å; M822-K831 HydrophobicContact CE-CB 4.28Å; M822-K831 HydrophobicContact CE-CG 3.99Å; M822-K831 WeakPolarHBondContact O-CE 3.32Å; M822-F835 HydrophobicContact CB-CE2 3.92Å; M822-F835 HydrophobicContact CB-CZ 4.25Å; M822-F835 HydrophobicContact CE-CD2 4.33Å; M822-F835 HydrophobicContact CE-CE2 4.34Å |
| 823 | R | 95.1 | Very high | 95.4 | Very high | 92 Ų | 92 | 56.4 Ų | 56.4 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.8 | 174.5 | 66.8 | 166 | -73.8 | 156.3 | 8.3 | 112.8 | C819 V820 T821 D858 A859 S862 | C819-R823 WeakPolarHBondContact O-CB 3.3Å; C819-R823 WeakPolarHBondContact O-CG 3.42Å; C819-R823 PolarHBondContact O-N 3.49Å; C819-R823 VanDerWaalsContact O-N 3.08Å; V820-R823 VanDerWaalsContact O-CG 3.25Å; V820-R823 WeakPolarHBondContact O-CG 3.35Å; T821-R823 PolarHBondContact O-N 3.17Å; T821-R823 VanDerWaalsContact O-N 3.16Å; R823-D858 WeakPolarHBondContact CD-OD2 3.35Å; R823-D858 IonicContact CZ-OD1 3.8Å; R823-D858 IonicContact CZ-OD2 2.76Å; R823-D858 IonicContact NE-OD2 3.62Å; R823-D858 IonicContact NH1-OD1 3.12Å; R823-D858 PolarHBondContact NH1-OD1 3.48Å; R823-D858 IonicContact NH1-OD2 2.98Å; R823-D858 PolarHBondContact NH1-OD2 2.94Å; R823-A859 HydrophobicContact CB-CB 4.37Å; R823-S862 WeakPolarHBondContact CA-OG 3.38Å; R823-S862 VanDerWaalsContact O-CB 3.24Å; R823-S862 WeakPolarHBondContact O-CB 3.18Å; R823-S862 PolarHBondContact O-OG 3.24Å |
| 824 | N | 93.7 | Very high | 95.6 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -8.6 | -174.3 | -62.6 | -43.1 | 0 | 0 | 0 | 113.4 | V820 T821 M822 | V820-N824 PolarHBondContact O-ND2 3.18Å; T821-N824 PolarHBondContact O-N 2.9Å; M822-N824 PolarHBondContact O-N 2.94Å |
| 825 | I | 93.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -78.4 | 138.5 | 176.3 | -54.5 | -175.5 | 0 | 0 | 0 | 109.2 | E790 I794 M822 K831 | E790-I825 HydrophobicContact CB-CD1 3.93Å; E790-I825 HydrophobicContact CG-CD1 3.85Å; E790-I825 HydrophobicContact CG-CG1 3.98Å; I794-I825 HydrophobicContact CD1-CD1 4.08Å; I794-I825 HydrophobicContact CG1-CD1 4.22Å; M822-I825 HydrophobicContact CE-CD1 4.03Å; M822-I825 PolarHBondContact O-N 3.24Å; M822-I825 HydrophobicContact SD-CD1 3.46Å; M822-I825 WeakPolarHBondContact SD-CD1 3.35Å; I825-K831 HydrophobicContact CB-CD 4.37Å; I825-K831 HydrophobicContact CG2-CB 4.4Å; I825-K831 WeakPolarHBondContact O-CD 3.34Å; I825-K831 WeakPolarHBondContact O-CE 3.43Å; I825-K831 PolarHBondContact O-NZ 2.9Å |
| 826 | R | 93.4 | Very high | 95.7 | Very high | 224 Ų | 224 | 53.9 Ų | 53.9 | 85% | 0.845 | 25% | 0.245 | S | C | * | . | trans | -64.2 | 158.6 | 174.4 | -66.2 | -177.9 | -178.7 | 174.6 | 2.2 | 110.7 | N828 K831 | R826-N828 PolarHBondContact O-N 3.45Å; R826-N828 VanDerWaalsContact O-N 3.13Å; R826-K831 WeakPolarHBondContact O-CD 3.4Å | ||
| 827 | D | 94.2 | Very high | 95.7 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -72.1 | 109.5 | -178.5 | -65.6 | -7 | 0 | 0 | 0 | 110.4 | K831 W863 V864 T865 | D827-K831 IonicContact OD1-NZ 2.77Å; D827-K831 PolarHBondContact OD1-NZ 3.31Å; D827-W863 HydrophobicContact CB-CE3 4.02Å; D827-W863 HydrophobicContact CB-CZ3 3.9Å; D827-W863 VanDerWaalsContact OD1-CE3 3.3Å; D827-V864 WeakPolarHBondContact OD2-CA 3.46Å; D827-V864 PolarHBondContact OD2-N 3.17Å; D827-T865 PolarHBondContact OD2-N 3.26Å; D827-T865 PolarHBondContact OD2-OG1 3.41Å |
| 828 | N | 93.5 | Very high | 95.9 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -144 | 178.2 | 177.6 | 71.8 | -2.1 | 0 | 0 | 0 | 111.2 | R826 E830 K831 E832 | R826-N828 PolarHBondContact O-N 3.45Å; R826-N828 VanDerWaalsContact O-N 3.13Å; N828-E830 VanDerWaalsContact C-N 3.35Å; N828-E830 PolarHBondContact ND2-OE2 3.21Å; N828-E830 PolarHBondContact O-N 3.24Å; N828-E830 PolarHBondContact OD1-N 3.36Å; N828-K831 PolarHBondContact O-N 3.15Å; N828-K831 WeakPolarHBondContact OD1-CB 3.39Å; N828-K831 PolarHBondContact OD1-N 3.47Å; N828-E832 PolarHBondContact O-N 3.06Å |
| 829 | E | 92.9 | Very high | 95.9 | Very high | 149 Ų | 149 | 44.5 Ų | 44.5 | 70% | 0.696 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -68.6 | -31.3 | -178.2 | -60.9 | -166.9 | 155.4 | 0 | 0 | 113.4 | E832 S833 | E829-E832 PolarHBondContact O-N 3.15Å; E829-S833 WeakPolarHBondContact O-CB 3.26Å; E829-S833 PolarHBondContact O-N 3.18Å; E829-S833 PolarHBondContact O-OG 3.45Å |
| 830 | E | 94.9 | Very high | 95.8 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 23% | 0.229 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -50 | 174.4 | -69 | 158.6 | -173.9 | 0 | 0 | 111.4 | I794 R798 N828 E832 S833 S834 | I794-E830 HydrophobicContact CD1-CB 4.09Å; I794-E830 HydrophobicContact CG1-CB 4.49Å; I794-E830 HydrophobicContact CG2-CB 4.1Å; R798-E830 VanDerWaalsContact NH2-CG 3.29Å; N828-E830 VanDerWaalsContact C-N 3.35Å; N828-E830 PolarHBondContact ND2-OE2 3.21Å; N828-E830 PolarHBondContact O-N 3.24Å; N828-E830 PolarHBondContact OD1-N 3.36Å; E830-E832 VanDerWaalsContact C-N 3.32Å; E830-E832 PolarHBondContact O-N 2.93Å; E830-S833 PolarHBondContact O-N 3.33Å; E830-S833 PolarHBondContact O-OG 3.5Å; E830-S834 VanDerWaalsContact O-CB 3.22Å; E830-S834 WeakPolarHBondContact O-CB 3.33Å; E830-S834 PolarHBondContact O-N 2.87Å |
| 831 | K | 96.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 174.1 | -172.6 | -177.2 | 178.8 | -179.4 | 0 | 110 | M822 I825 R826 D827 N828 S834 F835 S862 W863 | M822-K831 HydrophobicContact CE-CB 4.28Å; M822-K831 HydrophobicContact CE-CG 3.99Å; M822-K831 WeakPolarHBondContact O-CE 3.32Å; I825-K831 HydrophobicContact CB-CD 4.37Å; I825-K831 HydrophobicContact CG2-CB 4.4Å; I825-K831 WeakPolarHBondContact O-CD 3.34Å; I825-K831 WeakPolarHBondContact O-CE 3.43Å; I825-K831 PolarHBondContact O-NZ 2.9Å; R826-K831 WeakPolarHBondContact O-CD 3.4Å; D827-K831 IonicContact OD1-NZ 2.77Å; D827-K831 PolarHBondContact OD1-NZ 3.31Å; N828-K831 PolarHBondContact O-N 3.15Å; N828-K831 WeakPolarHBondContact OD1-CB 3.39Å; N828-K831 PolarHBondContact OD1-N 3.47Å; K831-S834 PolarHBondContact O-N 2.95Å; K831-F835 HydrophobicContact CD-CE2 4.32Å; K831-F835 HydrophobicContact CG-CD2 3.74Å; K831-F835 HydrophobicContact CG-CE2 3.71Å; K831-F835 VanDerWaalsContact O-CD2 3.28Å; K831-F835 WeakPolarHBondContact O-CD2 3.46Å; K831-F835 PolarHBondContact O-N 3.05Å; K831-S862 PolarHBondContact NZ-OG 3.13Å; K831-W863 HydrophobicContact CB-CH2 4.09Å; K831-W863 HydrophobicContact CB-CZ2 4.4Å; K831-W863 HydrophobicContact CD-CH2 3.84Å; K831-W863 HydrophobicContact CD-CZ2 3.85Å; K831-W863 HydrophobicContact CD-CZ3 4.24Å; K831-W863 HydrophobicContact CG-CH2 3.72Å; K831-W863 HydrophobicContact CG-CZ2 3.61Å |
| 832 | E | 96.4 | Very high | 96 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -53.2 | 179.1 | 175.7 | 177.6 | 177.9 | 0 | 0 | 112.3 | N828 E829 E830 S834 F835 R836 W863 K867 L870 | N828-E832 PolarHBondContact O-N 3.06Å; E829-E832 PolarHBondContact O-N 3.15Å; E830-E832 VanDerWaalsContact C-N 3.32Å; E830-E832 PolarHBondContact O-N 2.93Å; E832-S834 VanDerWaalsContact C-N 3.31Å; E832-S834 PolarHBondContact O-N 3.47Å; E832-F835 PolarHBondContact O-N 3.02Å; E832-R836 WeakPolarHBondContact O-CG 3.46Å; E832-R836 PolarHBondContact O-N 2.92Å; E832-R836 IonicContact OE1-CZ 3.76Å; E832-R836 VanDerWaalsContact OE1-CZ 3.28Å; E832-R836 IonicContact OE1-NE 2.88Å; E832-R836 PolarHBondContact OE1-NE 3.09Å; E832-R836 VanDerWaalsContact OE1-NE 3.09Å; E832-R836 IonicContact OE1-NH2 2.86Å; E832-R836 PolarHBondContact OE1-NH2 3.35Å; E832-W863 HydrophobicContact CB-CH2 4.08Å; E832-K867 WeakPolarHBondContact OE1-CD 3.36Å; E832-K867 IonicContact OE1-NZ 3.33Å; E832-K867 WeakPolarHBondContact OE2-CD 3.48Å; E832-K867 WeakPolarHBondContact OE2-CE 3.34Å; E832-K867 IonicContact OE2-NZ 3.27Å; E832-K867 PolarHBondContact OE2-NZ 2.69Å; E832-L870 HydrophobicContact CG-CD2 4.12Å |
| 833 | S | 96.7 | Very high | 95.9 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -39.1 | -178.5 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | R798 L801 E829 E830 R836 G837 | R798-S833 PolarHBondContact NE-OG 2.96Å; L801-S833 WeakPolarHBondContact CD2-O 3.13Å; E829-S833 WeakPolarHBondContact O-CB 3.26Å; E829-S833 PolarHBondContact O-N 3.18Å; E829-S833 PolarHBondContact O-OG 3.45Å; E830-S833 PolarHBondContact O-N 3.33Å; E830-S833 PolarHBondContact O-OG 3.5Å; S833-R836 PolarHBondContact O-N 3.31Å; S833-G837 PolarHBondContact O-N 2.73Å; S833-G837 VanDerWaalsContact O-N 3.11Å |
| 834 | S | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 175.3 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | A793 I794 G797 W818 E830 K831 E832 G837 L838 | A793-S834 PolarHBondContact O-OG 2.88Å; I794-S834 WeakPolarHBondContact CA-OG 3.28Å; I794-S834 PolarHBondContact O-OG 3.05Å; G797-S834 CarbonylContact C-O 3.59Å; G797-S834 WeakPolarHBondContact CA-O 3.32Å; G797-S834 WeakPolarHBondContact CA-OG 3.46Å; W818-S834 VanDerWaalsContact CZ2-OG 3.28Å; W818-S834 WeakPolarHBondContact CZ2-OG 3.17Å; W818-S834 PolarHBondContact NE1-OG 3.21Å; E830-S834 VanDerWaalsContact O-CB 3.22Å; E830-S834 WeakPolarHBondContact O-CB 3.33Å; E830-S834 PolarHBondContact O-N 2.87Å; K831-S834 PolarHBondContact O-N 2.95Å; E832-S834 VanDerWaalsContact C-N 3.31Å; E832-S834 PolarHBondContact O-N 3.47Å; S834-G837 PolarHBondContact O-N 3.13Å; S834-L838 PolarHBondContact O-N 2.95Å |
| 835 | F | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 175.4 | -93.5 | -90 | 0 | 0 | 0 | 112.4 | W818 M822 K831 E832 G837 L838 C839 A859 I860 W863 L870 F874 | W818-F835 HydrophobicContact CH2-CB 4.27Å; W818-F835 AromaticContact CH2-CD1 3.7Å; W818-F835 HydrophobicContact CH2-CD1 3.7Å; W818-F835 AromaticContact CH2-CD2 3.54Å; W818-F835 HydrophobicContact CH2-CD2 3.54Å; W818-F835 AromaticContact CH2-CE1 3.85Å; W818-F835 HydrophobicContact CH2-CE1 3.85Å; W818-F835 AromaticContact CH2-CE2 3.7Å; W818-F835 HydrophobicContact CH2-CE2 3.7Å; W818-F835 AromaticContact CH2-CG 3.56Å; W818-F835 HydrophobicContact CH2-CG 3.56Å; W818-F835 AromaticContact CH2-CZ 3.87Å; W818-F835 HydrophobicContact CH2-CZ 3.87Å; W818-F835 HydrophobicContact CZ2-CD2 4.39Å; W818-F835 HydrophobicContact CZ3-CD1 4.06Å; W818-F835 HydrophobicContact CZ3-CD2 4.31Å; W818-F835 AromaticContact CZ3-CE1 3.78Å; W818-F835 HydrophobicContact CZ3-CE1 3.78Å; W818-F835 HydrophobicContact CZ3-CE2 4.06Å; W818-F835 HydrophobicContact CZ3-CG 4.34Å; W818-F835 AromaticContact CZ3-CZ 3.79Å; W818-F835 HydrophobicContact CZ3-CZ 3.79Å; M822-F835 HydrophobicContact CB-CE2 3.92Å; M822-F835 HydrophobicContact CB-CZ 4.25Å; M822-F835 HydrophobicContact CE-CD2 4.33Å; M822-F835 HydrophobicContact CE-CE2 4.34Å; K831-F835 HydrophobicContact CD-CE2 4.32Å; K831-F835 HydrophobicContact CG-CD2 3.74Å; K831-F835 HydrophobicContact CG-CE2 3.71Å; K831-F835 VanDerWaalsContact O-CD2 3.28Å; K831-F835 WeakPolarHBondContact O-CD2 3.46Å; K831-F835 PolarHBondContact O-N 3.05Å; E832-F835 PolarHBondContact O-N 3.02Å; F835-G837 VanDerWaalsContact C-N 3.32Å; F835-G837 PolarHBondContact O-N 2.96Å; F835-L838 PolarHBondContact O-N 3.06Å; F835-C839 WeakPolarHBondContact O-CB 3.46Å; F835-C839 PolarHBondContact O-N 3.5Å; F835-C839 PolarHBondContact O-SG 3.24Å; F835-A859 HydrophobicContact CE1-CB 4.21Å; F835-A859 HydrophobicContact CZ-CB 4.05Å; F835-I860 HydrophobicContact CD1-CG2 4.31Å; F835-I860 HydrophobicContact CE1-CG2 3.92Å; F835-W863 HydrophobicContact CB-CZ2 4.32Å; F835-W863 AromaticContact CD1-NE1 3.95Å; F835-W863 AromaticContact CD2-CE2 4Å; F835-W863 AromaticContact CD2-CZ2 3.55Å; F835-W863 HydrophobicContact CD2-CZ2 3.55Å; F835-W863 AromaticContact CD2-NE1 3.84Å; F835-W863 AromaticContact CE1-NE1 3.74Å; F835-W863 AromaticContact CE2-CZ2 3.98Å; F835-W863 HydrophobicContact CE2-CZ2 3.98Å; F835-W863 AromaticContact CE2-NE1 3.62Å; F835-W863 AromaticContact CG-CZ2 3.97Å; F835-W863 HydrophobicContact CG-CZ2 3.97Å; F835-W863 AromaticContact CG-NE1 3.98Å; F835-W863 AromaticContact CZ-NE1 3.56Å; F835-L870 HydrophobicContact CB-CD1 4.28Å; F835-L870 HydrophobicContact CB-CD2 4.22Å; F835-F874 HydrophobicContact CB-CE1 4.28Å; F835-F874 HydrophobicContact CB-CZ 4.15Å; F835-F874 AromaticContact CD1-CE1 3.73Å; F835-F874 HydrophobicContact CD1-CE1 3.73Å; F835-F874 AromaticContact CD1-CZ 3.49Å; F835-F874 HydrophobicContact CD1-CZ 3.49Å; F835-F874 VanDerWaalsContact CD1-CZ 3.49Å; F835-F874 HydrophobicContact CE1-CZ 4.16Å; F835-F874 HydrophobicContact CG-CE1 4.39Å; F835-F874 HydrophobicContact CG-CZ 4.03Å |
| 836 | R | 97.2 | Very high | 95.9 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 27% | 0.272 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.3 | -46.7 | 175.7 | -75 | -179.6 | -176.5 | -126.1 | -0.6 | 110.9 | L801 E832 S833 C839 N840 E869 L870 | L801-R836 HydrophobicContact CD2-CB 3.78Å; E832-R836 WeakPolarHBondContact O-CG 3.46Å; E832-R836 PolarHBondContact O-N 2.92Å; E832-R836 IonicContact OE1-CZ 3.76Å; E832-R836 VanDerWaalsContact OE1-CZ 3.28Å; E832-R836 IonicContact OE1-NE 2.88Å; E832-R836 PolarHBondContact OE1-NE 3.09Å; E832-R836 VanDerWaalsContact OE1-NE 3.09Å; E832-R836 IonicContact OE1-NH2 2.86Å; E832-R836 PolarHBondContact OE1-NH2 3.35Å; S833-R836 PolarHBondContact O-N 3.31Å; R836-C839 WeakPolarHBondContact O-CB 3.48Å; R836-C839 PolarHBondContact O-N 3.4Å; R836-N840 PolarHBondContact O-N 3.08Å; R836-E869 IonicContact CZ-OE2 3.8Å; R836-E869 IonicContact NH1-OE2 3.35Å; R836-E869 PolarHBondContact NH1-OE2 2.72Å; R836-E869 VanDerWaalsContact NH1-OE2 3.08Å; R836-E869 IonicContact NH2-OE2 3.5Å; R836-E869 PolarHBondContact NH2-OE2 3.25Å; R836-L870 HydrophobicContact CG-CD1 3.85Å |
| 837 | G | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G797 G800 S833 S834 F835 C839 N840 V841 | G797-G837 CarbonylContact O-C 3.57Å; G797-G837 WeakPolarHBondContact O-CA 3.24Å; G800-G837 VanDerWaalsContact C-CA 3.45Å; G800-G837 CarbonylContact C-O 3.22Å; G800-G837 WeakPolarHBondContact CA-O 3.44Å; S833-G837 PolarHBondContact O-N 2.73Å; S833-G837 VanDerWaalsContact O-N 3.11Å; S834-G837 PolarHBondContact O-N 3.13Å; F835-G837 VanDerWaalsContact C-N 3.32Å; F835-G837 PolarHBondContact O-N 2.96Å; G837-C839 VanDerWaalsContact C-N 3.29Å; G837-C839 PolarHBondContact O-N 3.22Å; G837-N840 WeakPolarHBondContact O-CB 3.1Å; G837-N840 PolarHBondContact O-N 3.12Å; G837-N840 VanDerWaalsContact O-N 3.11Å; G837-V841 WeakPolarHBondContact O-CG2 3.48Å; G837-V841 PolarHBondContact O-N 3.5Å; G837-V841 VanDerWaalsContact O-N 3.09Å |
| 838 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 173.8 | -177.9 | 71.8 | 0 | 0 | 0 | 112.1 | L814 L815 W818 S834 F835 N840 V841 I842 F856 | L814-L838 HydrophobicContact CD2-CD1 4.01Å; L815-L838 HydrophobicContact CD1-CD1 4.3Å; L815-L838 HydrophobicContact CD1-CD2 3.88Å; L815-L838 HydrophobicContact CD1-CG 4.47Å; W818-L838 HydrophobicContact CD2-CD2 3.62Å; W818-L838 HydrophobicContact CE3-CD2 3.25Å; W818-L838 HydrophobicContact CG-CD2 4.43Å; W818-L838 HydrophobicContact CH2-CB 4.15Å; W818-L838 HydrophobicContact CH2-CD2 3.64Å; W818-L838 HydrophobicContact CZ2-CB 3.92Å; W818-L838 HydrophobicContact CZ2-CD2 3.95Å; W818-L838 HydrophobicContact CZ3-CD2 3.29Å; S834-L838 PolarHBondContact O-N 2.95Å; F835-L838 PolarHBondContact O-N 3.06Å; L838-N840 VanDerWaalsContact C-N 3.26Å; L838-N840 PolarHBondContact O-N 3.33Å; L838-V841 WeakPolarHBondContact O-CA 3.43Å; L838-V841 WeakPolarHBondContact O-CB 3.46Å; L838-V841 PolarHBondContact O-N 2.93Å; L838-V841 VanDerWaalsContact O-N 3.07Å; L838-I842 HydrophobicContact CD2-CD1 4.23Å; L838-I842 HydrophobicContact CG-CD1 4.01Å; L838-I842 HydrophobicContact CG-CG1 4.33Å; L838-I842 WeakPolarHBondContact O-CG1 3.4Å; L838-I842 PolarHBondContact O-N 3.01Å; L838-F856 HydrophobicContact CD2-CD2 4.38Å |
| 839 | C | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | 176.4 | -74.7 | 0 | 0 | 0 | 0 | 112 | F835 R836 G837 I842 M843 L873 F874 I877 | F835-C839 WeakPolarHBondContact O-CB 3.46Å; F835-C839 PolarHBondContact O-N 3.5Å; F835-C839 PolarHBondContact O-SG 3.24Å; R836-C839 WeakPolarHBondContact O-CB 3.48Å; R836-C839 PolarHBondContact O-N 3.4Å; G837-C839 VanDerWaalsContact C-N 3.29Å; G837-C839 PolarHBondContact O-N 3.22Å; C839-I842 PolarHBondContact O-N 3.4Å; C839-M843 WeakPolarHBondContact O-CG 3.44Å; C839-M843 PolarHBondContact O-N 3.18Å; C839-L873 HydrophobicContact CB-CD1 4.24Å; C839-L873 HydrophobicContact CB-CD2 3.33Å; C839-L873 HydrophobicContact CB-CG 3.63Å; C839-F874 VanDerWaalsContact SG-CE1 3.58Å; C839-I877 HydrophobicContact CB-CD1 3.46Å; C839-I877 VanDerWaalsContact CB-CD1 3.46Å; C839-I877 VanDerWaalsContact SG-CD1 3.54Å |
| 840 | N | 97.2 | Very high | 95.4 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 27% | 0.267 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 174.1 | -63.8 | -20.7 | 0 | 0 | 0 | 111.9 | G800 L801 A804 R836 G837 L838 M843 A844 | G800-N840 VanDerWaalsContact O-CB 3.3Å; G800-N840 WeakPolarHBondContact O-CB 3.36Å; G800-N840 PolarHBondContact O-ND2 3.34Å; L801-N840 PolarHBondContact O-ND2 2.94Å; A804-N840 HydrophobicContact CB-CB 3.76Å; R836-N840 PolarHBondContact O-N 3.08Å; G837-N840 WeakPolarHBondContact O-CB 3.1Å; G837-N840 PolarHBondContact O-N 3.12Å; G837-N840 VanDerWaalsContact O-N 3.11Å; L838-N840 VanDerWaalsContact C-N 3.26Å; L838-N840 PolarHBondContact O-N 3.33Å; N840-M843 PolarHBondContact O-N 3.44Å; N840-M843 WeakPolarHBondContact OD1-CE 3.35Å; N840-A844 PolarHBondContact O-N 3.07Å |
| 841 | V | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | A804 V807 A808 V811 G837 L838 M843 A844 N845 | A804-V841 HydrophobicContact CB-CG2 4.32Å; V807-V841 HydrophobicContact CB-CG1 4.25Å; V807-V841 HydrophobicContact CB-CG2 3.81Å; V807-V841 HydrophobicContact CG1-CG1 4.01Å; V807-V841 HydrophobicContact CG1-CG2 3.91Å; A808-V841 HydrophobicContact CB-CG1 4.38Å; V811-V841 HydrophobicContact CB-CG1 4.09Å; V811-V841 HydrophobicContact CG2-CG1 4.03Å; G837-V841 WeakPolarHBondContact O-CG2 3.48Å; G837-V841 PolarHBondContact O-N 3.5Å; G837-V841 VanDerWaalsContact O-N 3.09Å; L838-V841 WeakPolarHBondContact O-CA 3.43Å; L838-V841 WeakPolarHBondContact O-CB 3.46Å; L838-V841 PolarHBondContact O-N 2.93Å; L838-V841 VanDerWaalsContact O-N 3.07Å; V841-M843 VanDerWaalsContact C-N 3.35Å; V841-M843 PolarHBondContact O-N 2.92Å; V841-A844 PolarHBondContact O-N 3.42Å; V841-N845 PolarHBondContact O-N 3.05Å |
| 842 | I | 96.8 | Very high | 95 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.7 | -68.3 | 170 | 0 | 0 | 0 | 110.5 | V811 L815 L838 C839 A844 N845 P846 A849 F856 I877 F881 | V811-I842 HydrophobicContact CG2-CG1 4.35Å; L815-I842 HydrophobicContact CD1-CD1 3.93Å; L815-I842 HydrophobicContact CD1-CG1 4.4Å; L838-I842 HydrophobicContact CD2-CD1 4.23Å; L838-I842 HydrophobicContact CG-CD1 4.01Å; L838-I842 HydrophobicContact CG-CG1 4.33Å; L838-I842 WeakPolarHBondContact O-CG1 3.4Å; L838-I842 PolarHBondContact O-N 3.01Å; C839-I842 PolarHBondContact O-N 3.4Å; I842-A844 VanDerWaalsContact C-N 3.25Å; I842-A844 PolarHBondContact O-N 3.41Å; I842-N845 CarbonylContact O-C 3.57Å; I842-N845 PolarHBondContact O-N 3.12Å; I842-P846 WeakPolarHBondContact O-CA 3.48Å; I842-P846 WeakPolarHBondContact O-CD 3.38Å; I842-A849 HydrophobicContact CG1-CB 4.26Å; I842-A849 HydrophobicContact CG2-CB 4.04Å; I842-F856 HydrophobicContact CD1-CD2 3.52Å; I842-F856 HydrophobicContact CD1-CE2 3.6Å; I842-F856 HydrophobicContact CD1-CG 4.05Å; I842-F856 HydrophobicContact CD1-CZ 4.2Å; I842-I877 HydrophobicContact CG2-CG2 4.08Å; I842-F881 HydrophobicContact CG2-CE2 3.67Å; I842-F881 HydrophobicContact CG2-CZ 3.77Å |
| 843 | M | 94.5 | Very high | 94.8 | Very high | 74 Ų | 74 | 31.1 Ų | 31.1 | 37% | 0.365 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.9 | -26.7 | 177.7 | -72.8 | -173.6 | -64.5 | 0 | 0 | 113.3 | C839 N840 V841 L873 I877 | C839-M843 WeakPolarHBondContact O-CG 3.44Å; C839-M843 PolarHBondContact O-N 3.18Å; N840-M843 PolarHBondContact O-N 3.44Å; N840-M843 WeakPolarHBondContact OD1-CE 3.35Å; V841-M843 VanDerWaalsContact C-N 3.35Å; V841-M843 PolarHBondContact O-N 2.92Å; M843-L873 HydrophobicContact CE-CD1 3.69Å; M843-L873 HydrophobicContact SD-CD1 4.22Å; M843-I877 HydrophobicContact CG-CD1 4.36Å; M843-I877 HydrophobicContact CG-CG1 3.99Å; M843-I877 HydrophobicContact SD-CG1 4.43Å |
| 844 | A | 95.3 | Very high | 94.6 | Very high | 44 Ų | 44 | 32.8 Ų | 32.8 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -77.2 | -26.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A804 A808 N840 V841 I842 | A804-A844 HydrophobicContact CB-CB 4.35Å; A808-A844 HydrophobicContact CB-CB 3.75Å; N840-A844 PolarHBondContact O-N 3.07Å; V841-A844 PolarHBondContact O-N 3.42Å; I842-A844 VanDerWaalsContact C-N 3.25Å; I842-A844 PolarHBondContact O-N 3.41Å |
| 845 | N | 94.7 | Very high | 94.5 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 22% | 0.219 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -145.1 | 67.8 | 176.1 | -172.3 | 3.7 | 0 | 0 | 0 | 112.4 | A808 V811 V841 I842 S847 A848 | A808-N845 HydrophobicContact CB-CB 3.84Å; A808-N845 PolarHBondContact O-ND2 2.87Å; V811-N845 HydrophobicContact CG1-CB 4.29Å; V841-N845 PolarHBondContact O-N 3.05Å; I842-N845 CarbonylContact O-C 3.57Å; I842-N845 PolarHBondContact O-N 3.12Å; N845-S847 VanDerWaalsContact C-N 3.31Å; N845-S847 PolarHBondContact O-N 3.49Å; N845-S847 PolarHBondContact OD1-OG 3.45Å; N845-A848 WeakPolarHBondContact ND2-CB 3.49Å; N845-A848 PolarHBondContact O-N 3.17Å; N845-A848 WeakPolarHBondContact OD1-CB 3.35Å; N845-A848 PolarHBondContact OD1-N 3.4Å |
| 846 | P | 91.9 | Very high | 94.4 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 29% | 0.286 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -36.2 | -174 | 23.9 | -33.5 | 0 | 0 | 0 | 112.2 | I842 A848 A849 L850 F881 | I842-P846 WeakPolarHBondContact O-CA 3.48Å; I842-P846 WeakPolarHBondContact O-CD 3.38Å; P846-A848 VanDerWaalsContact C-N 3.28Å; P846-A848 PolarHBondContact O-N 3.4Å; P846-A849 PolarHBondContact O-N 3.34Å; P846-A849 VanDerWaalsContact O-N 3.08Å; P846-L850 PolarHBondContact O-N 3.3Å; P846-F881 HydrophobicContact CB-CE1 4.13Å; P846-F881 HydrophobicContact CB-CZ 4.26Å; P846-F881 WeakPolarHBondContact O-CE1 3.38Å |
| 847 | S | 91.8 | Very high | 94.3 | Very high | 76 Ų | 76 | 32.1 Ų | 32.1 | 53% | 0.531 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58 | -37.5 | 179.4 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | N845 | N845-S847 VanDerWaalsContact C-N 3.31Å; N845-S847 PolarHBondContact O-N 3.49Å; N845-S847 PolarHBondContact OD1-OG 3.45Å |
| 848 | A | 92.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.4 | -24.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V811 N845 P846 | V811-A848 HydrophobicContact CG1-CB 3.39Å; N845-A848 WeakPolarHBondContact ND2-CB 3.49Å; N845-A848 PolarHBondContact O-N 3.17Å; N845-A848 WeakPolarHBondContact OD1-CB 3.35Å; N845-A848 PolarHBondContact OD1-N 3.4Å; P846-A848 VanDerWaalsContact C-N 3.28Å; P846-A848 PolarHBondContact O-N 3.4Å |
| 849 | A | 91.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.4 | -18 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V811 L815 I842 P846 N851 D852 L853 F881 | V811-A849 HydrophobicContact CG2-CB 4.19Å; L815-A849 HydrophobicContact CD2-CB 3.68Å; L815-A849 WeakPolarHBondContact CD2-O 3.42Å; I842-A849 HydrophobicContact CG1-CB 4.26Å; I842-A849 HydrophobicContact CG2-CB 4.04Å; P846-A849 PolarHBondContact O-N 3.34Å; P846-A849 VanDerWaalsContact O-N 3.08Å; A849-N851 VanDerWaalsContact C-N 3.29Å; A849-N851 PolarHBondContact O-N 3.49Å; A849-D852 CarbonylContact O-C 3.55Å; A849-D852 PolarHBondContact O-N 2.94Å; A849-D852 VanDerWaalsContact O-N 3.16Å; A849-L853 PolarHBondContact O-N 3.29Å; A849-L853 VanDerWaalsContact O-N 3.12Å; A849-F881 HydrophobicContact CB-CZ 3.96Å |
| 850 | L | 89.1 | Confident | 94 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -57.2 | -39 | -173.7 | -173.9 | 64.5 | 0 | 0 | 0 | 113.4 | P846 D852 L853 F881 V885 | P846-L850 PolarHBondContact O-N 3.3Å; L850-D852 VanDerWaalsContact C-N 3.28Å; L850-D852 PolarHBondContact O-N 3.41Å; L850-L853 HydrophobicContact CD1-CD2 4.21Å; L850-L853 WeakPolarHBondContact O-CB 3.35Å; L850-L853 PolarHBondContact O-N 3.29Å; L850-F881 HydrophobicContact CB-CE1 4.36Å; L850-F881 HydrophobicContact CD1-CD1 3.86Å; L850-F881 HydrophobicContact CD1-CE1 4.13Å; L850-V885 HydrophobicContact CD1-CG1 3.84Å; L850-V885 HydrophobicContact CD2-CG1 4.23Å |
| 851 | N | 88.7 | Confident | 93.9 | Very high | 135 Ų | 135 | 31.5 Ų | 31.5 | 72% | 0.722 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -65.7 | -29.2 | -177.8 | -71.8 | -27.6 | 0 | 0 | 0 | 113.4 | A849 | A849-N851 VanDerWaalsContact C-N 3.29Å; A849-N851 PolarHBondContact O-N 3.49Å |
| 852 | D | 92.8 | Very high | 93.7 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -112 | 15.5 | -178.5 | -67.8 | -65 | 0 | 0 | 0 | 112.2 | L815 R816 A849 L850 I854 F855 F856 | L815-D852 HydrophobicContact CB-CB 4.29Å; L815-D852 HydrophobicContact CD2-CB 3.94Å; L815-D852 HydrophobicContact CG-CB 4.12Å; R816-D852 HydrophobicContact CB-CB 4.48Å; R816-D852 IonicContact CZ-OD1 3.59Å; R816-D852 VanDerWaalsContact CZ-OD1 3.27Å; R816-D852 IonicContact NE-OD1 2.92Å; R816-D852 PolarHBondContact NE-OD1 3.1Å; R816-D852 IonicContact NH2-OD1 3.78Å; R816-D852 PolarHBondContact NH2-OD1 2.81Å; A849-D852 CarbonylContact O-C 3.55Å; A849-D852 PolarHBondContact O-N 2.94Å; A849-D852 VanDerWaalsContact O-N 3.16Å; L850-D852 VanDerWaalsContact C-N 3.28Å; L850-D852 PolarHBondContact O-N 3.41Å; D852-I854 PolarHBondContact O-N 3.01Å; D852-I854 VanDerWaalsContact O-N 3.12Å; D852-F855 HydrophobicContact CB-CD2 3.93Å; D852-F855 WeakPolarHBondContact O-CB 3.4Å; D852-F855 PolarHBondContact O-N 3.37Å; D852-F855 WeakPolarHBondContact OD1-CE2 3.33Å; D852-F856 PolarHBondContact O-N 3.35Å |
| 853 | L | 92.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.4 | -30.2 | -179.2 | 177.8 | 61.2 | 0 | 0 | 0 | 113.2 | A849 L850 F855 F856 C857 F881 W890 F893 | A849-L853 PolarHBondContact O-N 3.29Å; A849-L853 VanDerWaalsContact O-N 3.12Å; L850-L853 HydrophobicContact CD1-CD2 4.21Å; L850-L853 WeakPolarHBondContact O-CB 3.35Å; L850-L853 PolarHBondContact O-N 3.29Å; L853-F855 VanDerWaalsContact C-N 3.3Å; L853-F855 PolarHBondContact O-N 3.12Å; L853-F856 HydrophobicContact CD1-CB 4.43Å; L853-F856 HydrophobicContact CD1-CD1 4.08Å; L853-F856 PolarHBondContact O-N 3.38Å; L853-C857 PolarHBondContact O-N 3.03Å; L853-C857 PolarHBondContact O-SG 3.19Å; L853-F881 HydrophobicContact CD1-CD2 3.57Å; L853-F881 HydrophobicContact CD1-CE2 3.6Å; L853-F881 HydrophobicContact CD1-CG 4.16Å; L853-F881 HydrophobicContact CD1-CZ 4.21Å; L853-F881 HydrophobicContact CD2-CB 3.96Å; L853-F881 HydrophobicContact CD2-CD1 4.04Å; L853-F881 HydrophobicContact CD2-CD2 4.05Å; L853-F881 HydrophobicContact CD2-CG 3.76Å; L853-F881 HydrophobicContact CG-CD2 4.48Å; L853-W890 HydrophobicContact CD2-CH2 4.38Å; L853-W890 HydrophobicContact CD2-CZ3 3.87Å; L853-F893 HydrophobicContact CB-CE1 4.25Å; L853-F893 HydrophobicContact CB-CZ 3.87Å; L853-F893 HydrophobicContact CD2-CD1 4.49Å; L853-F893 HydrophobicContact CD2-CE1 3.64Å; L853-F893 HydrophobicContact CD2-CZ 4.07Å; L853-F893 HydrophobicContact CG-CE1 3.92Å; L853-F893 HydrophobicContact CG-CZ 4.07Å |
| 854 | I | 93.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 35.5 Ų | 35.5 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 175.2 | -171.1 | 169.2 | 0 | 0 | 0 | 112 | D852 C857 D858 F893 F897 L901 | D852-I854 PolarHBondContact O-N 3.01Å; D852-I854 VanDerWaalsContact O-N 3.12Å; I854-C857 PolarHBondContact O-N 3.48Å; I854-D858 WeakPolarHBondContact O-CB 3.3Å; I854-D858 PolarHBondContact O-N 3.11Å; I854-F893 HydrophobicContact CB-CZ 4.39Å; I854-F897 HydrophobicContact CB-CE1 3.89Å; I854-F897 HydrophobicContact CB-CZ 4.37Å; I854-F897 HydrophobicContact CD1-CD1 3.66Å; I854-F897 HydrophobicContact CD1-CE1 3.86Å; I854-F897 HydrophobicContact CG1-CD1 3.84Å; I854-F897 HydrophobicContact CG1-CE1 3.64Å; I854-F897 HydrophobicContact CG1-CZ 4.24Å; I854-L901 HydrophobicContact CG1-CD2 4.35Å |
| 855 | F | 95.3 | Very high | 93.2 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 25% | 0.254 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.1 | -38.3 | 177.4 | -63.3 | -82.2 | 0 | 0 | 0 | 111.1 | R816 C819 V820 D852 L853 D858 A859 | R816-F855 HydrophobicContact CB-CD2 4.29Å; R816-F855 HydrophobicContact CB-CE2 4.48Å; R816-F855 HydrophobicContact CG-CD1 4.07Å; R816-F855 HydrophobicContact CG-CD2 3.94Å; R816-F855 HydrophobicContact CG-CE1 3.94Å; R816-F855 HydrophobicContact CG-CE2 3.81Å; R816-F855 HydrophobicContact CG-CG 4.07Å; R816-F855 HydrophobicContact CG-CZ 3.81Å; C819-F855 HydrophobicContact CB-CB 3.74Å; C819-F855 WeakPolarHBondContact CB-O 3.48Å; V820-F855 HydrophobicContact CG2-CD1 4.03Å; V820-F855 HydrophobicContact CG2-CE1 4.3Å; D852-F855 HydrophobicContact CB-CD2 3.93Å; D852-F855 WeakPolarHBondContact O-CB 3.4Å; D852-F855 PolarHBondContact O-N 3.37Å; D852-F855 WeakPolarHBondContact OD1-CE2 3.33Å; L853-F855 VanDerWaalsContact C-N 3.3Å; L853-F855 PolarHBondContact O-N 3.12Å; F855-D858 PolarHBondContact O-N 3.49Å; F855-A859 WeakPolarHBondContact O-CB 3.17Å; F855-A859 PolarHBondContact O-N 2.82Å |
| 856 | F | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 172.4 | 179.4 | -104.8 | 0 | 0 | 0 | 111.7 | L815 C819 L838 I842 D852 L853 D858 A859 I860 F874 I877 | L815-F856 HydrophobicContact CD1-CB 4.36Å; L815-F856 HydrophobicContact CD1-CD2 4.49Å; C819-F856 VanDerWaalsContact SG-CA 3.53Å; L838-F856 HydrophobicContact CD2-CD2 4.38Å; I842-F856 HydrophobicContact CD1-CD2 3.52Å; I842-F856 HydrophobicContact CD1-CE2 3.6Å; I842-F856 HydrophobicContact CD1-CG 4.05Å; I842-F856 HydrophobicContact CD1-CZ 4.2Å; D852-F856 PolarHBondContact O-N 3.35Å; L853-F856 HydrophobicContact CD1-CB 4.43Å; L853-F856 HydrophobicContact CD1-CD1 4.08Å; L853-F856 PolarHBondContact O-N 3.38Å; F856-D858 VanDerWaalsContact C-N 3.3Å; F856-D858 PolarHBondContact O-N 3.47Å; F856-A859 PolarHBondContact O-N 3.2Å; F856-I860 HydrophobicContact CD2-CG2 4.33Å; F856-I860 HydrophobicContact CE1-CD1 4.19Å; F856-I860 HydrophobicContact CE1-CG2 4.04Å; F856-I860 HydrophobicContact CE2-CG2 3.84Å; F856-I860 HydrophobicContact CZ-CG2 3.68Å; F856-I860 WeakPolarHBondContact O-CG1 3.08Å; F856-I860 PolarHBondContact O-N 3.45Å; F856-F874 HydrophobicContact CZ-CD1 4.21Å; F856-I877 HydrophobicContact CD1-CG2 4.42Å; F856-I877 HydrophobicContact CE1-CB 4.37Å; F856-I877 HydrophobicContact CE1-CG2 3.7Å; F856-I877 HydrophobicContact CZ-CD1 4.13Å; F856-I877 HydrophobicContact CZ-CG2 4.19Å |
| 857 | C | 95.2 | Very high | 93 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 176.4 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | L853 I854 I860 S861 F897 L905 | L853-C857 PolarHBondContact O-N 3.03Å; L853-C857 PolarHBondContact O-SG 3.19Å; I854-C857 PolarHBondContact O-N 3.48Å; C857-I860 WeakPolarHBondContact O-CG1 3.32Å; C857-S861 WeakPolarHBondContact O-CB 3.32Å; C857-S861 PolarHBondContact O-N 2.71Å; C857-F897 HydrophobicContact CB-CE2 4.05Å; C857-F897 HydrophobicContact CB-CZ 4.31Å; C857-L905 HydrophobicContact CB-CD1 3.87Å; C857-L905 HydrophobicContact CB-CD2 4.3Å |
| 858 | D | 94.8 | Very high | 93 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 177 | 177.5 | 59.8 | 0 | 0 | 0 | 112.2 | R823 I854 F855 F856 S861 S862 L901 | R823-D858 WeakPolarHBondContact CD-OD2 3.35Å; R823-D858 IonicContact CZ-OD1 3.8Å; R823-D858 IonicContact CZ-OD2 2.76Å; R823-D858 IonicContact NE-OD2 3.62Å; R823-D858 IonicContact NH1-OD1 3.12Å; R823-D858 PolarHBondContact NH1-OD1 3.48Å; R823-D858 IonicContact NH1-OD2 2.98Å; R823-D858 PolarHBondContact NH1-OD2 2.94Å; I854-D858 WeakPolarHBondContact O-CB 3.3Å; I854-D858 PolarHBondContact O-N 3.11Å; F855-D858 PolarHBondContact O-N 3.49Å; F856-D858 VanDerWaalsContact C-N 3.3Å; F856-D858 PolarHBondContact O-N 3.47Å; D858-S861 WeakPolarHBondContact O-CB 3.25Å; D858-S861 PolarHBondContact O-N 3.26Å; D858-S861 PolarHBondContact O-OG 3.4Å; D858-S862 PolarHBondContact O-N 3.01Å; D858-L901 HydrophobicContact CB-CD1 4.28Å; D858-L901 HydrophobicContact CB-CD2 4.14Å |
| 859 | A | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C819 R823 F835 F855 F856 S861 S862 | C819-A859 HydrophobicContact CB-CB 3.79Å; R823-A859 HydrophobicContact CB-CB 4.37Å; F835-A859 HydrophobicContact CE1-CB 4.21Å; F835-A859 HydrophobicContact CZ-CB 4.05Å; F855-A859 WeakPolarHBondContact O-CB 3.17Å; F855-A859 PolarHBondContact O-N 2.82Å; F856-A859 PolarHBondContact O-N 3.2Å; A859-S861 PolarHBondContact O-N 2.96Å; A859-S862 WeakPolarHBondContact O-CB 3.46Å; A859-S862 PolarHBondContact O-N 3.38Å; A859-S862 VanDerWaalsContact O-N 3.13Å; A859-S862 PolarHBondContact O-OG 3Å |
| 860 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -27.2 | 176.3 | 65.1 | 176.5 | 0 | 0 | 0 | 111.7 | F835 F856 C857 S862 F874 L878 L905 Y909 | F835-I860 HydrophobicContact CD1-CG2 4.31Å; F835-I860 HydrophobicContact CE1-CG2 3.92Å; F856-I860 HydrophobicContact CD2-CG2 4.33Å; F856-I860 HydrophobicContact CE1-CD1 4.19Å; F856-I860 HydrophobicContact CE1-CG2 4.04Å; F856-I860 HydrophobicContact CE2-CG2 3.84Å; F856-I860 HydrophobicContact CZ-CG2 3.68Å; F856-I860 WeakPolarHBondContact O-CG1 3.08Å; F856-I860 PolarHBondContact O-N 3.45Å; C857-I860 WeakPolarHBondContact O-CG1 3.32Å; I860-S862 PolarHBondContact O-N 3.41Å; I860-F874 HydrophobicContact CB-CD2 3.89Å; I860-F874 HydrophobicContact CB-CE2 3.97Å; I860-F874 HydrophobicContact CB-CG 4.27Å; I860-F874 HydrophobicContact CB-CZ 4.43Å; I860-F874 HydrophobicContact CD1-CB 4.33Å; I860-F874 HydrophobicContact CG2-CD1 3.84Å; I860-F874 HydrophobicContact CG2-CD2 3.86Å; I860-F874 HydrophobicContact CG2-CE1 3.83Å; I860-F874 HydrophobicContact CG2-CE2 3.84Å; I860-F874 HydrophobicContact CG2-CG 3.86Å; I860-F874 HydrophobicContact CG2-CZ 3.82Å; I860-L878 HydrophobicContact CD1-CD1 3.87Å; I860-L878 HydrophobicContact CD1-CD2 4.21Å; I860-L878 HydrophobicContact CD1-CG 4.22Å; I860-L905 HydrophobicContact CD1-CD2 4.08Å; I860-L905 HydrophobicContact CG1-CD2 4.14Å; I860-Y909 HydrophobicContact CB-CE2 4.3Å; I860-Y909 HydrophobicContact CD1-CD2 4.18Å; I860-Y909 HydrophobicContact CD1-CE2 3.78Å; I860-Y909 HydrophobicContact CG1-CE2 3.84Å; I860-Y909 PolarHBondContact O-OH 3.13Å |
| 861 | S | 94 | Very high | 93.3 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -6.8 | 176.4 | 85.4 | 0 | 0 | 0 | 0 | 114.4 | C857 D858 A859 L901 R904 | C857-S861 WeakPolarHBondContact O-CB 3.32Å; C857-S861 PolarHBondContact O-N 2.71Å; D858-S861 WeakPolarHBondContact O-CB 3.25Å; D858-S861 PolarHBondContact O-N 3.26Å; D858-S861 PolarHBondContact O-OG 3.4Å; A859-S861 PolarHBondContact O-N 2.96Å; S861-L901 WeakPolarHBondContact OG-CD1 3.41Å; S861-R904 PolarHBondContact O-NH1 3.08Å |
| 862 | S | 94.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 12% | 0.119 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -15 | -179.1 | 92.1 | 0 | 0 | 0 | 0 | 114 | R823 K831 D858 A859 I860 | R823-S862 WeakPolarHBondContact CA-OG 3.38Å; R823-S862 VanDerWaalsContact O-CB 3.24Å; R823-S862 WeakPolarHBondContact O-CB 3.18Å; R823-S862 PolarHBondContact O-OG 3.24Å; K831-S862 PolarHBondContact NZ-OG 3.13Å; D858-S862 PolarHBondContact O-N 3.01Å; A859-S862 WeakPolarHBondContact O-CB 3.46Å; A859-S862 PolarHBondContact O-N 3.38Å; A859-S862 VanDerWaalsContact O-N 3.13Å; A859-S862 PolarHBondContact O-OG 3Å; I860-S862 PolarHBondContact O-N 3.41Å |
| 863 | W | 94.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | trans | -63.9 | 137 | 179.1 | -74.1 | 88.1 | 0 | 0 | 0 | 112.2 | D827 K831 E832 F835 L866 L870 F874 | D827-W863 HydrophobicContact CB-CE3 4.02Å; D827-W863 HydrophobicContact CB-CZ3 3.9Å; D827-W863 VanDerWaalsContact OD1-CE3 3.3Å; K831-W863 HydrophobicContact CB-CH2 4.09Å; K831-W863 HydrophobicContact CB-CZ2 4.4Å; K831-W863 HydrophobicContact CD-CH2 3.84Å; K831-W863 HydrophobicContact CD-CZ2 3.85Å; K831-W863 HydrophobicContact CD-CZ3 4.24Å; K831-W863 HydrophobicContact CG-CH2 3.72Å; K831-W863 HydrophobicContact CG-CZ2 3.61Å; E832-W863 HydrophobicContact CB-CH2 4.08Å; F835-W863 HydrophobicContact CB-CZ2 4.32Å; F835-W863 AromaticContact CD1-NE1 3.95Å; F835-W863 AromaticContact CD2-CE2 4Å; F835-W863 AromaticContact CD2-CZ2 3.55Å; F835-W863 HydrophobicContact CD2-CZ2 3.55Å; F835-W863 AromaticContact CD2-NE1 3.84Å; F835-W863 AromaticContact CE1-NE1 3.74Å; F835-W863 AromaticContact CE2-CZ2 3.98Å; F835-W863 HydrophobicContact CE2-CZ2 3.98Å; F835-W863 AromaticContact CE2-NE1 3.62Å; F835-W863 AromaticContact CG-CZ2 3.97Å; F835-W863 HydrophobicContact CG-CZ2 3.97Å; F835-W863 AromaticContact CG-NE1 3.98Å; F835-W863 AromaticContact CZ-NE1 3.56Å; W863-L866 HydrophobicContact CB-CB 4.41Å; W863-L866 HydrophobicContact CB-CD1 4.47Å; W863-L866 HydrophobicContact CD2-CD1 3.86Å; W863-L866 HydrophobicContact CE3-CD1 4.11Å; W863-L866 HydrophobicContact CG-CD1 4.03Å; W863-L870 HydrophobicContact CH2-CD2 4.08Å; W863-L870 HydrophobicContact CZ2-CD2 3.73Å; W863-F874 AromaticContact CD1-CE2 3.97Å; W863-F874 AromaticContact NE1-CE2 3.86Å; W863-F874 AromaticContact NE1-CZ 3.83Å | ||
| 864 | V | 91.6 | Very high | 93.9 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 77% | 0.77 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -101.8 | -45.8 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | D827 | D827-V864 WeakPolarHBondContact OD2-CA 3.46Å; D827-V864 PolarHBondContact OD2-N 3.17Å |
| 865 | T | 90 | Very high | 93.9 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -120 | 108 | 176.8 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | D827 | D827-T865 PolarHBondContact OD2-N 3.26Å; D827-T865 PolarHBondContact OD2-OG1 3.41Å |
| 866 | L | 89.1 | Confident | 93.8 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | trans | -115.9 | 124.3 | -175 | -173.6 | 62.4 | 0 | 0 | 0 | 111.6 | W863 L870 R871 F874 Y909 | W863-L866 HydrophobicContact CB-CB 4.41Å; W863-L866 HydrophobicContact CB-CD1 4.47Å; W863-L866 HydrophobicContact CD2-CD1 3.86Å; W863-L866 HydrophobicContact CE3-CD1 4.11Å; W863-L866 HydrophobicContact CG-CD1 4.03Å; L866-L870 HydrophobicContact CD1-CB 3.94Å; L866-L870 HydrophobicContact CD1-CD2 3.66Å; L866-L870 HydrophobicContact CD1-CG 3.79Å; L866-R871 HydrophobicContact CD2-CB 3.64Å; L866-R871 HydrophobicContact CD2-CG 4.03Å; L866-R871 HydrophobicContact CG-CB 4.04Å; L866-F874 HydrophobicContact CD1-CD2 4.41Å; L866-F874 HydrophobicContact CD1-CE2 3.74Å; L866-F874 HydrophobicContact CD1-CZ 4.48Å; L866-F874 HydrophobicContact CD2-CD2 3.96Å; L866-F874 HydrophobicContact CD2-CE2 4.03Å; L866-Y909 HydrophobicContact CD2-CE1 3.86Å | ||
| 867 | K | 92 | Very high | 93.7 | Very high | 103 Ų | 103 | 52.9 Ų | 52.9 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | trans | -67.1 | 144 | 174.5 | -68.3 | -176.4 | -171.9 | 159.6 | 0 | 110.9 | E832 E869 L870 R871 | E832-K867 WeakPolarHBondContact OE1-CD 3.36Å; E832-K867 IonicContact OE1-NZ 3.33Å; E832-K867 WeakPolarHBondContact OE2-CD 3.48Å; E832-K867 WeakPolarHBondContact OE2-CE 3.34Å; E832-K867 IonicContact OE2-NZ 3.27Å; E832-K867 PolarHBondContact OE2-NZ 2.69Å; K867-E869 VanDerWaalsContact C-N 3.33Å; K867-E869 PolarHBondContact O-N 3.32Å; K867-L870 PolarHBondContact O-N 3.06Å; K867-R871 PolarHBondContact O-N 3.41Å; K867-R871 VanDerWaalsContact O-N 3.1Å | ||
| 868 | P | 92.8 | Very high | 93.6 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 62% | 0.623 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -54.6 | -42.9 | -176.4 | -27.8 | 35 | 0 | 0 | 0 | 114.4 | L870 R871 D872 | P868-L870 VanDerWaalsContact C-N 3.33Å; P868-L870 PolarHBondContact O-N 2.8Å; P868-R871 WeakPolarHBondContact O-CB 3.04Å; P868-R871 PolarHBondContact O-N 2.77Å; P868-D872 PolarHBondContact O-N 3.09Å |
| 869 | E | 91.9 | Very high | 93.4 | Very high | 128 Ų | 128 | 56.6 Ų | 56.6 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | -179.5 | -62.9 | 179 | 175.2 | 0 | 0 | 112.7 | R836 K867 D872 L873 | R836-E869 IonicContact CZ-OE2 3.8Å; R836-E869 IonicContact NH1-OE2 3.35Å; R836-E869 PolarHBondContact NH1-OE2 2.72Å; R836-E869 VanDerWaalsContact NH1-OE2 3.08Å; R836-E869 IonicContact NH2-OE2 3.5Å; R836-E869 PolarHBondContact NH2-OE2 3.25Å; K867-E869 VanDerWaalsContact C-N 3.33Å; K867-E869 PolarHBondContact O-N 3.32Å; E869-D872 PolarHBondContact O-N 3.21Å; E869-L873 PolarHBondContact O-N 3.06Å; E869-L873 VanDerWaalsContact O-N 3.14Å |
| 870 | L | 94.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.7 | -36.5 | 179.7 | -174.7 | 58 | 0 | 0 | 0 | 111 | E832 F835 R836 W863 L866 K867 P868 D872 L873 F874 | E832-L870 HydrophobicContact CG-CD2 4.12Å; F835-L870 HydrophobicContact CB-CD1 4.28Å; F835-L870 HydrophobicContact CB-CD2 4.22Å; R836-L870 HydrophobicContact CG-CD1 3.85Å; W863-L870 HydrophobicContact CH2-CD2 4.08Å; W863-L870 HydrophobicContact CZ2-CD2 3.73Å; L866-L870 HydrophobicContact CD1-CB 3.94Å; L866-L870 HydrophobicContact CD1-CD2 3.66Å; L866-L870 HydrophobicContact CD1-CG 3.79Å; K867-L870 PolarHBondContact O-N 3.06Å; P868-L870 VanDerWaalsContact C-N 3.33Å; P868-L870 PolarHBondContact O-N 2.8Å; L870-D872 VanDerWaalsContact C-N 3.34Å; L870-D872 PolarHBondContact O-N 3.1Å; L870-L873 HydrophobicContact CD1-CD2 4.22Å; L870-L873 WeakPolarHBondContact O-CB 3.39Å; L870-L873 PolarHBondContact O-N 2.99Å; L870-F874 HydrophobicContact CD1-CD1 4.2Å; L870-F874 HydrophobicContact CD1-CE1 3.47Å; L870-F874 VanDerWaalsContact CD1-CE1 3.47Å; L870-F874 HydrophobicContact CD1-CE2 4.45Å; L870-F874 HydrophobicContact CD1-CZ 3.63Å; L870-F874 HydrophobicContact CD2-CE1 4.42Å; L870-F874 HydrophobicContact CD2-CE2 4.23Å; L870-F874 HydrophobicContact CD2-CZ 3.72Å; L870-F874 HydrophobicContact CG-CE1 3.81Å; L870-F874 HydrophobicContact CG-CE2 3.85Å; L870-F874 HydrophobicContact CG-CZ 3.44Å; L870-F874 VanDerWaalsContact CG-CZ 3.44Å; L870-F874 VanDerWaalsContact O-CG 3.31Å; L870-F874 WeakPolarHBondContact O-CG 3.46Å; L870-F874 PolarHBondContact O-N 3.37Å |
| 871 | R | 94.5 | Very high | 92.8 | Very high | 118 Ų | 118 | 59.2 Ų | 59.2 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 171.6 | -175.1 | -177.2 | 180 | -138.3 | 1 | 111.6 | L866 K867 P868 L873 F874 V875 L908 Y909 | L866-R871 HydrophobicContact CD2-CB 3.64Å; L866-R871 HydrophobicContact CD2-CG 4.03Å; L866-R871 HydrophobicContact CG-CB 4.04Å; K867-R871 PolarHBondContact O-N 3.41Å; K867-R871 VanDerWaalsContact O-N 3.1Å; P868-R871 WeakPolarHBondContact O-CB 3.04Å; P868-R871 PolarHBondContact O-N 2.77Å; R871-L873 VanDerWaalsContact C-N 3.27Å; R871-L873 PolarHBondContact O-N 3.06Å; R871-F874 PolarHBondContact O-N 3.29Å; R871-V875 WeakPolarHBondContact O-CG2 3.27Å; R871-V875 PolarHBondContact O-N 3.31Å; R871-L908 PolarHBondContact NE-O 2.89Å; R871-L908 PolarHBondContact NH2-O 2.91Å; R871-Y909 HydrophobicContact CG-CD1 4.13Å; R871-Y909 HydrophobicContact CG-CE1 4.04Å |
| 872 | D | 93.8 | Very high | 92.6 | Very high | 103 Ų | 103 | 61.6 Ų | 61.6 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.5 | -37.7 | 179.5 | -70.1 | -17.4 | 0 | 0 | 0 | 111.4 | P868 E869 L870 V875 K876 | P868-D872 PolarHBondContact O-N 3.09Å; E869-D872 PolarHBondContact O-N 3.21Å; L870-D872 VanDerWaalsContact C-N 3.34Å; L870-D872 PolarHBondContact O-N 3.1Å; D872-V875 PolarHBondContact O-N 3.41Å; D872-K876 VanDerWaalsContact O-CB 3.3Å; D872-K876 WeakPolarHBondContact O-CB 3.36Å; D872-K876 PolarHBondContact O-N 3.47Å |
| 873 | L | 94.4 | Very high | 92.4 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.9 | -171.5 | 59.3 | 0 | 0 | 0 | 112.2 | C839 M843 E869 L870 R871 K876 I877 | C839-L873 HydrophobicContact CB-CD1 4.24Å; C839-L873 HydrophobicContact CB-CD2 3.33Å; C839-L873 HydrophobicContact CB-CG 3.63Å; M843-L873 HydrophobicContact CE-CD1 3.69Å; M843-L873 HydrophobicContact SD-CD1 4.22Å; E869-L873 PolarHBondContact O-N 3.06Å; E869-L873 VanDerWaalsContact O-N 3.14Å; L870-L873 HydrophobicContact CD1-CD2 4.22Å; L870-L873 WeakPolarHBondContact O-CB 3.39Å; L870-L873 PolarHBondContact O-N 2.99Å; R871-L873 VanDerWaalsContact C-N 3.27Å; R871-L873 PolarHBondContact O-N 3.06Å; L873-K876 PolarHBondContact O-N 3.45Å; L873-I877 WeakPolarHBondContact O-CG1 3.11Å; L873-I877 PolarHBondContact O-N 3.41Å |
| 874 | F | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.9 | -62 | -18.9 | 0 | 0 | 0 | 111.9 | F835 C839 F856 I860 W863 L866 L870 R871 K876 I877 L878 Y909 | F835-F874 HydrophobicContact CB-CE1 4.28Å; F835-F874 HydrophobicContact CB-CZ 4.15Å; F835-F874 AromaticContact CD1-CE1 3.73Å; F835-F874 HydrophobicContact CD1-CE1 3.73Å; F835-F874 AromaticContact CD1-CZ 3.49Å; F835-F874 HydrophobicContact CD1-CZ 3.49Å; F835-F874 VanDerWaalsContact CD1-CZ 3.49Å; F835-F874 HydrophobicContact CE1-CZ 4.16Å; F835-F874 HydrophobicContact CG-CE1 4.39Å; F835-F874 HydrophobicContact CG-CZ 4.03Å; C839-F874 VanDerWaalsContact SG-CE1 3.58Å; F856-F874 HydrophobicContact CZ-CD1 4.21Å; I860-F874 HydrophobicContact CB-CD2 3.89Å; I860-F874 HydrophobicContact CB-CE2 3.97Å; I860-F874 HydrophobicContact CB-CG 4.27Å; I860-F874 HydrophobicContact CB-CZ 4.43Å; I860-F874 HydrophobicContact CD1-CB 4.33Å; I860-F874 HydrophobicContact CG2-CD1 3.84Å; I860-F874 HydrophobicContact CG2-CD2 3.86Å; I860-F874 HydrophobicContact CG2-CE1 3.83Å; I860-F874 HydrophobicContact CG2-CE2 3.84Å; I860-F874 HydrophobicContact CG2-CG 3.86Å; I860-F874 HydrophobicContact CG2-CZ 3.82Å; W863-F874 AromaticContact CD1-CE2 3.97Å; W863-F874 AromaticContact NE1-CE2 3.86Å; W863-F874 AromaticContact NE1-CZ 3.83Å; L866-F874 HydrophobicContact CD1-CD2 4.41Å; L866-F874 HydrophobicContact CD1-CE2 3.74Å; L866-F874 HydrophobicContact CD1-CZ 4.48Å; L866-F874 HydrophobicContact CD2-CD2 3.96Å; L866-F874 HydrophobicContact CD2-CE2 4.03Å; L870-F874 HydrophobicContact CD1-CD1 4.2Å; L870-F874 HydrophobicContact CD1-CE1 3.47Å; L870-F874 VanDerWaalsContact CD1-CE1 3.47Å; L870-F874 HydrophobicContact CD1-CE2 4.45Å; L870-F874 HydrophobicContact CD1-CZ 3.63Å; L870-F874 HydrophobicContact CD2-CE1 4.42Å; L870-F874 HydrophobicContact CD2-CE2 4.23Å; L870-F874 HydrophobicContact CD2-CZ 3.72Å; L870-F874 HydrophobicContact CG-CE1 3.81Å; L870-F874 HydrophobicContact CG-CE2 3.85Å; L870-F874 HydrophobicContact CG-CZ 3.44Å; L870-F874 VanDerWaalsContact CG-CZ 3.44Å; L870-F874 VanDerWaalsContact O-CG 3.31Å; L870-F874 WeakPolarHBondContact O-CG 3.46Å; L870-F874 PolarHBondContact O-N 3.37Å; R871-F874 PolarHBondContact O-N 3.29Å; F874-K876 VanDerWaalsContact C-N 3.29Å; F874-K876 PolarHBondContact O-N 2.67Å; F874-I877 PolarHBondContact O-N 3.1Å; F874-L878 WeakPolarHBondContact O-CG 3.36Å; F874-L878 PolarHBondContact O-N 2.85Å; F874-Y909 HydrophobicContact CB-CD1 4.49Å; F874-Y909 HydrophobicContact CB-CE1 4.08Å; F874-Y909 AromaticContact CD2-CE1 3.89Å; F874-Y909 HydrophobicContact CD2-CE1 3.89Å; F874-Y909 AromaticContact CD2-CZ 3.88Å; F874-Y909 WeakPolarHBondContact CD2-OH 3.45Å |
| 875 | V | 94.7 | Very high | 91.8 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | R871 D872 I877 L878 F879 Y909 | R871-V875 WeakPolarHBondContact O-CG2 3.27Å; R871-V875 PolarHBondContact O-N 3.31Å; D872-V875 PolarHBondContact O-N 3.41Å; V875-I877 VanDerWaalsContact C-N 3.35Å; V875-I877 PolarHBondContact O-N 2.97Å; V875-L878 PolarHBondContact O-N 2.9Å; V875-F879 VanDerWaalsContact O-CB 3.25Å; V875-F879 WeakPolarHBondContact O-CB 3.37Å; V875-F879 PolarHBondContact O-N 3.34Å; V875-Y909 HydrophobicContact CG2-CD1 3.92Å; V875-Y909 HydrophobicContact CG2-CG 4.47Å |
| 876 | K | 93.4 | Very high | 91.7 | Very high | 130 Ų | 130 | 63.8 Ų | 63.8 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 177.5 | -175.7 | -178.4 | 176.3 | -171.4 | 0 | 112.1 | D872 L873 F874 A880 | D872-K876 VanDerWaalsContact O-CB 3.3Å; D872-K876 WeakPolarHBondContact O-CB 3.36Å; D872-K876 PolarHBondContact O-N 3.47Å; L873-K876 PolarHBondContact O-N 3.45Å; F874-K876 VanDerWaalsContact C-N 3.29Å; F874-K876 PolarHBondContact O-N 2.67Å; K876-A880 WeakPolarHBondContact O-CB 3.44Å; K876-A880 PolarHBondContact O-N 3.42Å |
| 877 | I | 93.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.8 | -49.3 | 177.5 | -72.5 | 172.8 | 0 | 0 | 0 | 111 | C839 I842 M843 F856 L873 F874 V875 F879 A880 F881 | C839-I877 HydrophobicContact CB-CD1 3.46Å; C839-I877 VanDerWaalsContact CB-CD1 3.46Å; C839-I877 VanDerWaalsContact SG-CD1 3.54Å; I842-I877 HydrophobicContact CG2-CG2 4.08Å; M843-I877 HydrophobicContact CG-CD1 4.36Å; M843-I877 HydrophobicContact CG-CG1 3.99Å; M843-I877 HydrophobicContact SD-CG1 4.43Å; F856-I877 HydrophobicContact CD1-CG2 4.42Å; F856-I877 HydrophobicContact CE1-CB 4.37Å; F856-I877 HydrophobicContact CE1-CG2 3.7Å; F856-I877 HydrophobicContact CZ-CD1 4.13Å; F856-I877 HydrophobicContact CZ-CG2 4.19Å; L873-I877 WeakPolarHBondContact O-CG1 3.11Å; L873-I877 PolarHBondContact O-N 3.41Å; F874-I877 PolarHBondContact O-N 3.1Å; V875-I877 VanDerWaalsContact C-N 3.35Å; V875-I877 PolarHBondContact O-N 2.97Å; I877-F879 VanDerWaalsContact C-N 3.27Å; I877-F879 PolarHBondContact O-N 2.92Å; I877-A880 PolarHBondContact O-N 3.5Å; I877-F881 HydrophobicContact CG2-CD2 3.65Å; I877-F881 HydrophobicContact CG2-CE2 3.53Å; I877-F881 VanDerWaalsContact O-CD2 3.29Å; I877-F881 WeakPolarHBondContact O-CD2 3.43Å; I877-F881 PolarHBondContact O-N 2.84Å |
| 878 | L | 92.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 178.6 | -67.7 | 178.1 | 0 | 0 | 0 | 111.7 | I860 F874 V875 K882 W890 Y909 M911 | I860-L878 HydrophobicContact CD1-CD1 3.87Å; I860-L878 HydrophobicContact CD1-CD2 4.21Å; I860-L878 HydrophobicContact CD1-CG 4.22Å; F874-L878 WeakPolarHBondContact O-CG 3.36Å; F874-L878 PolarHBondContact O-N 2.85Å; V875-L878 PolarHBondContact O-N 2.9Å; L878-K882 WeakPolarHBondContact O-CB 3.38Å; L878-K882 PolarHBondContact O-N 3.15Å; L878-W890 HydrophobicContact CD2-CH2 4.25Å; L878-Y909 HydrophobicContact CD1-CD2 4.26Å; L878-Y909 HydrophobicContact CD1-CG 4.26Å; L878-M911 HydrophobicContact CB-CE 4.12Å; L878-M911 HydrophobicContact CB-CG 4.37Å; L878-M911 HydrophobicContact CD1-CG 4.19Å |
| 879 | F | 91.2 | Very high | 91.4 | Very high | 109 Ų | 109 | 64.1 Ų | 64.1 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 176.5 | -174.1 | -104.4 | 0 | 0 | 0 | 112.3 | V875 I877 K882 Q883 | V875-F879 VanDerWaalsContact O-CB 3.25Å; V875-F879 WeakPolarHBondContact O-CB 3.37Å; V875-F879 PolarHBondContact O-N 3.34Å; I877-F879 VanDerWaalsContact C-N 3.27Å; I877-F879 PolarHBondContact O-N 2.92Å; F879-K882 PolarHBondContact O-N 3.08Å; F879-Q883 HydrophobicContact CD1-CG 4.28Å; F879-Q883 VanDerWaalsContact CE1-CD 3.47Å; F879-Q883 HydrophobicContact CE1-CG 4Å; F879-Q883 HydrophobicContact CZ-CG 4.18Å; F879-Q883 WeakPolarHBondContact O-CG 3.4Å; F879-Q883 PolarHBondContact O-N 3.46Å |
| 880 | A | 90.2 | Very high | 91.2 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K876 I877 K882 Q883 E884 | K876-A880 WeakPolarHBondContact O-CB 3.44Å; K876-A880 PolarHBondContact O-N 3.42Å; I877-A880 PolarHBondContact O-N 3.5Å; A880-K882 PolarHBondContact O-N 3.38Å; A880-Q883 PolarHBondContact O-N 2.75Å; A880-E884 WeakPolarHBondContact O-CB 3.38Å; A880-E884 PolarHBondContact O-N 2.97Å |
| 881 | F | 90.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175 | -82.1 | -64.6 | 0 | 0 | 0 | 112.5 | I842 P846 A849 L850 L853 I877 Q883 E884 V885 W890 | I842-F881 HydrophobicContact CG2-CE2 3.67Å; I842-F881 HydrophobicContact CG2-CZ 3.77Å; P846-F881 HydrophobicContact CB-CE1 4.13Å; P846-F881 HydrophobicContact CB-CZ 4.26Å; P846-F881 WeakPolarHBondContact O-CE1 3.38Å; A849-F881 HydrophobicContact CB-CZ 3.96Å; L850-F881 HydrophobicContact CB-CE1 4.36Å; L850-F881 HydrophobicContact CD1-CD1 3.86Å; L850-F881 HydrophobicContact CD1-CE1 4.13Å; L853-F881 HydrophobicContact CD1-CD2 3.57Å; L853-F881 HydrophobicContact CD1-CE2 3.6Å; L853-F881 HydrophobicContact CD1-CG 4.16Å; L853-F881 HydrophobicContact CD1-CZ 4.21Å; L853-F881 HydrophobicContact CD2-CB 3.96Å; L853-F881 HydrophobicContact CD2-CD1 4.04Å; L853-F881 HydrophobicContact CD2-CD2 4.05Å; L853-F881 HydrophobicContact CD2-CG 3.76Å; L853-F881 HydrophobicContact CG-CD2 4.48Å; I877-F881 HydrophobicContact CG2-CD2 3.65Å; I877-F881 HydrophobicContact CG2-CE2 3.53Å; I877-F881 VanDerWaalsContact O-CD2 3.29Å; I877-F881 WeakPolarHBondContact O-CD2 3.43Å; I877-F881 PolarHBondContact O-N 2.84Å; F881-Q883 VanDerWaalsContact C-N 3.3Å; F881-Q883 PolarHBondContact O-N 3.12Å; F881-E884 PolarHBondContact O-N 3.15Å; F881-V885 WeakPolarHBondContact O-CG2 3.48Å; F881-V885 PolarHBondContact O-N 2.91Å; F881-W890 HydrophobicContact CB-CZ3 3.85Å |
| 882 | K | 89.7 | Confident | 90.6 | Very high | 55 Ų | 55 | 66.4 Ų | 66.4 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -39.5 | 176.2 | 179 | 173.5 | 175.7 | 179.8 | 0 | 112.2 | L878 F879 A880 G886 D887 W890 M911 | L878-K882 WeakPolarHBondContact O-CB 3.38Å; L878-K882 PolarHBondContact O-N 3.15Å; F879-K882 PolarHBondContact O-N 3.08Å; A880-K882 PolarHBondContact O-N 3.38Å; K882-G886 WeakPolarHBondContact O-CA 3.49Å; K882-G886 PolarHBondContact O-N 3.35Å; K882-D887 WeakPolarHBondContact CE-OD1 3.29Å; K882-D887 IonicContact NZ-OD1 3.67Å; K882-W890 HydrophobicContact CB-CD2 3.75Å; K882-W890 HydrophobicContact CB-CE3 3.89Å; K882-W890 HydrophobicContact CB-CG 4.05Å; K882-W890 HydrophobicContact CB-CZ3 4.39Å; K882-W890 HydrophobicContact CD-CD2 4.38Å; K882-W890 HydrophobicContact CD-CG 4.08Å; K882-W890 HydrophobicContact CG-CB 4.08Å; K882-W890 HydrophobicContact CG-CD2 3.97Å; K882-W890 HydrophobicContact CG-CG 3.71Å; K882-M911 HydrophobicContact CB-CE 4.05Å; K882-M911 HydrophobicContact CD-CE 3.65Å; K882-M911 HydrophobicContact CD-SD 4.36Å; K882-M911 HydrophobicContact CG-CE 4.46Å |
| 883 | Q | 88.7 | Confident | 90.2 | Very high | 134 Ų | 134 | 64.7 Ų | 64.7 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 174.5 | -75 | -166.6 | -17.3 | 0 | 0 | 112.5 | F879 A880 F881 | F879-Q883 HydrophobicContact CD1-CG 4.28Å; F879-Q883 VanDerWaalsContact CE1-CD 3.47Å; F879-Q883 HydrophobicContact CE1-CG 4Å; F879-Q883 HydrophobicContact CZ-CG 4.18Å; F879-Q883 WeakPolarHBondContact O-CG 3.4Å; F879-Q883 PolarHBondContact O-N 3.46Å; A880-Q883 PolarHBondContact O-N 2.75Å; F881-Q883 VanDerWaalsContact C-N 3.3Å; F881-Q883 PolarHBondContact O-N 3.12Å |
| 884 | E | 86.6 | Confident | 89.9 | Confident | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | -177.5 | -171.8 | 173.9 | -179 | 0 | 0 | 112.5 | A880 F881 | A880-E884 WeakPolarHBondContact O-CB 3.38Å; A880-E884 PolarHBondContact O-N 2.97Å; F881-E884 PolarHBondContact O-N 3.15Å |
| 885 | V | 87.5 | Confident | 89.4 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -86.6 | -21 | 179.7 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | L850 F881 V889 W890 | L850-V885 HydrophobicContact CD1-CG1 3.84Å; L850-V885 HydrophobicContact CD2-CG1 4.23Å; F881-V885 WeakPolarHBondContact O-CG2 3.48Å; F881-V885 PolarHBondContact O-N 2.91Å; V885-V889 HydrophobicContact CB-CB 4.05Å; V885-V889 HydrophobicContact CB-CG1 3.9Å; V885-V889 HydrophobicContact CG2-CB 4.18Å; V885-V889 HydrophobicContact CG2-CG1 4.21Å; V885-V889 WeakPolarHBondContact O-CB 3.49Å; V885-V889 WeakPolarHBondContact O-CG2 3.43Å; V885-W890 HydrophobicContact CG2-CB 3.95Å; V885-W890 HydrophobicContact CG2-CE3 4.11Å |
| 886 | G | 88.6 | Confident | 89 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | trans | 81.3 | 157.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K882 A888 V889 W890 | K882-G886 WeakPolarHBondContact O-CA 3.49Å; K882-G886 PolarHBondContact O-N 3.35Å; G886-A888 VanDerWaalsContact C-N 3.33Å; G886-A888 PolarHBondContact O-N 2.85Å; G886-V889 PolarHBondContact O-N 3.2Å; G886-W890 WeakPolarHBondContact O-CB 3.37Å; G886-W890 PolarHBondContact O-N 2.88Å | ||
| 887 | D | 89.2 | Confident | 88.8 | Confident | 103 Ų | 103 | 62.1 Ų | 62.1 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.3 | -39 | -170.6 | -76.1 | -40.2 | 0 | 0 | 0 | 114.3 | K882 Q891 | K882-D887 WeakPolarHBondContact CE-OD1 3.29Å; K882-D887 IonicContact NZ-OD1 3.67Å; D887-Q891 WeakPolarHBondContact O-CB 3.42Å; D887-Q891 VanDerWaalsContact O-CG 3.27Å; D887-Q891 WeakPolarHBondContact O-CG 3.5Å; D887-Q891 PolarHBondContact O-N 3.39Å |
| 888 | A | 89 | Confident | 88.7 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 63% | 0.628 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.3 | -47.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G886 Q891 E892 | G886-A888 VanDerWaalsContact C-N 3.33Å; G886-A888 PolarHBondContact O-N 2.85Å; A888-Q891 PolarHBondContact O-N 3.46Å; A888-E892 PolarHBondContact O-N 3.32Å; A888-E892 VanDerWaalsContact O-N 3.08Å |
| 889 | V | 87.6 | Confident | 88.6 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | V885 G886 Q891 E892 F893 | V885-V889 HydrophobicContact CB-CB 4.05Å; V885-V889 HydrophobicContact CB-CG1 3.9Å; V885-V889 HydrophobicContact CG2-CB 4.18Å; V885-V889 HydrophobicContact CG2-CG1 4.21Å; V885-V889 WeakPolarHBondContact O-CB 3.49Å; V885-V889 WeakPolarHBondContact O-CG2 3.43Å; G886-V889 PolarHBondContact O-N 3.2Å; V889-Q891 VanDerWaalsContact C-N 3.35Å; V889-Q891 PolarHBondContact O-N 3.23Å; V889-E892 PolarHBondContact O-N 3.06Å; V889-F893 VanDerWaalsContact O-CB 3.24Å; V889-F893 WeakPolarHBondContact O-CB 3.49Å; V889-F893 PolarHBondContact O-N 3.25Å |
| 890 | W | 88.2 | Confident | 88.5 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 4% | 0.038 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 174.7 | -177.4 | -96.4 | 0 | 0 | 0 | 112.3 | L853 L878 F881 K882 V885 G886 F893 T894 M911 | L853-W890 HydrophobicContact CD2-CH2 4.38Å; L853-W890 HydrophobicContact CD2-CZ3 3.87Å; L878-W890 HydrophobicContact CD2-CH2 4.25Å; F881-W890 HydrophobicContact CB-CZ3 3.85Å; K882-W890 HydrophobicContact CB-CD2 3.75Å; K882-W890 HydrophobicContact CB-CE3 3.89Å; K882-W890 HydrophobicContact CB-CG 4.05Å; K882-W890 HydrophobicContact CB-CZ3 4.39Å; K882-W890 HydrophobicContact CD-CD2 4.38Å; K882-W890 HydrophobicContact CD-CG 4.08Å; K882-W890 HydrophobicContact CG-CB 4.08Å; K882-W890 HydrophobicContact CG-CD2 3.97Å; K882-W890 HydrophobicContact CG-CG 3.71Å; V885-W890 HydrophobicContact CG2-CB 3.95Å; V885-W890 HydrophobicContact CG2-CE3 4.11Å; G886-W890 WeakPolarHBondContact O-CB 3.37Å; G886-W890 PolarHBondContact O-N 2.88Å; W890-F893 PolarHBondContact O-N 2.96Å; W890-T894 HydrophobicContact CD2-CG2 4.14Å; W890-T894 HydrophobicContact CG-CG2 4.45Å; W890-T894 HydrophobicContact CZ2-CG2 3.83Å; W890-T894 WeakPolarHBondContact O-CB 3.02Å; W890-T894 WeakPolarHBondContact O-CG2 3.09Å; W890-T894 PolarHBondContact O-N 2.95Å; W890-T894 PolarHBondContact O-OG1 3.26Å; W890-M911 HydrophobicContact CD2-CE 4.5Å; W890-M911 VanDerWaalsContact CE2-CE 3.49Å; W890-M911 HydrophobicContact CH2-CE 4.11Å; W890-M911 HydrophobicContact CZ2-CE 3.26Å |
| 891 | Q | 88.4 | Confident | 88.6 | Confident | 134 Ų | 134 | 69.7 Ų | 69.7 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 176.5 | -77.2 | 179.1 | 8.6 | 0 | 0 | 112.2 | D887 A888 V889 T894 A895 | D887-Q891 WeakPolarHBondContact O-CB 3.42Å; D887-Q891 VanDerWaalsContact O-CG 3.27Å; D887-Q891 WeakPolarHBondContact O-CG 3.5Å; D887-Q891 PolarHBondContact O-N 3.39Å; A888-Q891 PolarHBondContact O-N 3.46Å; V889-Q891 VanDerWaalsContact C-N 3.35Å; V889-Q891 PolarHBondContact O-N 3.23Å; Q891-T894 PolarHBondContact O-OG1 3Å; Q891-A895 VanDerWaalsContact O-CB 3.24Å; Q891-A895 WeakPolarHBondContact O-CB 3.34Å; Q891-A895 PolarHBondContact O-N 2.67Å |
| 892 | E | 87.9 | Confident | 88.6 | Confident | 152 Ų | 152 | 74.6 Ų | 74.6 | 71% | 0.71 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.6 | -46.2 | 175.6 | -173.1 | 174.2 | -171.8 | 0 | 0 | 111.4 | A888 V889 A895 G896 | A888-E892 PolarHBondContact O-N 3.32Å; A888-E892 VanDerWaalsContact O-N 3.08Å; V889-E892 PolarHBondContact O-N 3.06Å; E892-A895 WeakPolarHBondContact O-CB 3.2Å; E892-A895 PolarHBondContact O-N 3.09Å; E892-G896 PolarHBondContact O-N 2.89Å |
| 893 | F | 86.3 | Confident | 88.6 | Confident | 66 Ų | 66 | 78.7 Ų | 78.7 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 177 | 178.8 | -109.1 | 0 | 0 | 0 | 112.1 | L853 I854 V889 W890 A895 G896 F897 | L853-F893 HydrophobicContact CB-CE1 4.25Å; L853-F893 HydrophobicContact CB-CZ 3.87Å; L853-F893 HydrophobicContact CD2-CD1 4.49Å; L853-F893 HydrophobicContact CD2-CE1 3.64Å; L853-F893 HydrophobicContact CD2-CZ 4.07Å; L853-F893 HydrophobicContact CG-CE1 3.92Å; L853-F893 HydrophobicContact CG-CZ 4.07Å; I854-F893 HydrophobicContact CB-CZ 4.39Å; V889-F893 VanDerWaalsContact O-CB 3.24Å; V889-F893 WeakPolarHBondContact O-CB 3.49Å; V889-F893 PolarHBondContact O-N 3.25Å; W890-F893 PolarHBondContact O-N 2.96Å; F893-A895 VanDerWaalsContact C-N 3.29Å; F893-A895 PolarHBondContact O-N 3.23Å; F893-G896 PolarHBondContact O-N 2.92Å; F893-G896 VanDerWaalsContact O-N 3.16Å; F893-F897 AromaticContact CD1-CE1 3.92Å; F893-F897 HydrophobicContact CD1-CE1 3.92Å; F893-F897 AromaticContact CD1-CZ 3.86Å; F893-F897 HydrophobicContact CD1-CZ 3.86Å; F893-F897 AromaticContact CE1-CE1 3.53Å; F893-F897 HydrophobicContact CE1-CE1 3.53Å; F893-F897 AromaticContact CE1-CZ 3.34Å; F893-F897 HydrophobicContact CE1-CZ 3.34Å; F893-F897 HydrophobicContact CE2-CE1 4.32Å; F893-F897 HydrophobicContact CG-CE1 4.47Å; F893-F897 AromaticContact CZ-CE1 3.74Å; F893-F897 HydrophobicContact CZ-CE1 3.74Å; F893-F897 AromaticContact CZ-CZ 3.92Å; F893-F897 HydrophobicContact CZ-CZ 3.92Å |
| 894 | T | 86.6 | Confident | 88.6 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 10% | 0.104 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.4 | -17.2 | 179.1 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | W890 Q891 G896 F897 | W890-T894 HydrophobicContact CD2-CG2 4.14Å; W890-T894 HydrophobicContact CG-CG2 4.45Å; W890-T894 HydrophobicContact CZ2-CG2 3.83Å; W890-T894 WeakPolarHBondContact O-CB 3.02Å; W890-T894 WeakPolarHBondContact O-CG2 3.09Å; W890-T894 PolarHBondContact O-N 2.95Å; W890-T894 PolarHBondContact O-OG1 3.26Å; Q891-T894 PolarHBondContact O-OG1 3Å; T894-G896 VanDerWaalsContact C-N 3.25Å; T894-F897 HydrophobicContact CG2-CD2 4.39Å; T894-F897 HydrophobicContact CG2-CE2 4.04Å; T894-F897 HydrophobicContact CG2-CZ 4.35Å; T894-F897 WeakPolarHBondContact O-CB 3.39Å; T894-F897 PolarHBondContact O-N 2.58Å |
| 895 | A | 86.2 | Confident | 88.8 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.6 | -26.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q891 E892 F893 F897 | Q891-A895 VanDerWaalsContact O-CB 3.24Å; Q891-A895 WeakPolarHBondContact O-CB 3.34Å; Q891-A895 PolarHBondContact O-N 2.67Å; E892-A895 WeakPolarHBondContact O-CB 3.2Å; E892-A895 PolarHBondContact O-N 3.09Å; F893-A895 VanDerWaalsContact C-N 3.29Å; F893-A895 PolarHBondContact O-N 3.23Å; A895-F897 PolarHBondContact O-N 3.31Å |
| 896 | G | 86.4 | Confident | 88.9 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 64% | 0.639 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E892 F893 T894 | E892-G896 PolarHBondContact O-N 2.89Å; F893-G896 PolarHBondContact O-N 2.92Å; F893-G896 VanDerWaalsContact O-N 3.16Å; T894-G896 VanDerWaalsContact C-N 3.25Å |
| 897 | F | 90.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 79.7 Ų | 79.7 | 6% | 0.057 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -74.6 | 146.4 | -177.1 | -72.1 | 5.3 | 0 | 0 | 0 | 112.1 | I854 C857 F893 T894 A895 L901 L905 | I854-F897 HydrophobicContact CB-CE1 3.89Å; I854-F897 HydrophobicContact CB-CZ 4.37Å; I854-F897 HydrophobicContact CD1-CD1 3.66Å; I854-F897 HydrophobicContact CD1-CE1 3.86Å; I854-F897 HydrophobicContact CG1-CD1 3.84Å; I854-F897 HydrophobicContact CG1-CE1 3.64Å; I854-F897 HydrophobicContact CG1-CZ 4.24Å; C857-F897 HydrophobicContact CB-CE2 4.05Å; C857-F897 HydrophobicContact CB-CZ 4.31Å; F893-F897 AromaticContact CD1-CE1 3.92Å; F893-F897 HydrophobicContact CD1-CE1 3.92Å; F893-F897 AromaticContact CD1-CZ 3.86Å; F893-F897 HydrophobicContact CD1-CZ 3.86Å; F893-F897 AromaticContact CE1-CE1 3.53Å; F893-F897 HydrophobicContact CE1-CE1 3.53Å; F893-F897 AromaticContact CE1-CZ 3.34Å; F893-F897 HydrophobicContact CE1-CZ 3.34Å; F893-F897 HydrophobicContact CE2-CE1 4.32Å; F893-F897 HydrophobicContact CG-CE1 4.47Å; F893-F897 AromaticContact CZ-CE1 3.74Å; F893-F897 HydrophobicContact CZ-CE1 3.74Å; F893-F897 AromaticContact CZ-CZ 3.92Å; F893-F897 HydrophobicContact CZ-CZ 3.92Å; T894-F897 HydrophobicContact CG2-CD2 4.39Å; T894-F897 HydrophobicContact CG2-CE2 4.04Å; T894-F897 HydrophobicContact CG2-CZ 4.35Å; T894-F897 WeakPolarHBondContact O-CB 3.39Å; T894-F897 PolarHBondContact O-N 2.58Å; A895-F897 PolarHBondContact O-N 3.31Å; F897-L901 HydrophobicContact CB-CD2 4.37Å; F897-L901 HydrophobicContact CD2-CD2 4.05Å; F897-L901 HydrophobicContact CD2-CG 4.28Å; F897-L901 HydrophobicContact CG-CD2 4.21Å; F897-L905 HydrophobicContact CD2-CD1 3.9Å; F897-L905 HydrophobicContact CE2-CD1 3.79Å |
| 898 | P | 91.3 | Very high | 88.9 | Confident | 72 Ų | 72 | 77 Ų | 77 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | trans | -52.6 | 138.8 | 168.6 | -26 | 34.6 | 0 | 0 | 0 | 111.3 | L900 L901 K902 | P898-L900 VanDerWaalsContact C-N 3.28Å; P898-L900 PolarHBondContact O-N 3.27Å; P898-L900 VanDerWaalsContact O-N 3.16Å; P898-L901 HydrophobicContact CB-CB 4.33Å; P898-L901 WeakPolarHBondContact O-CB 3.33Å; P898-L901 PolarHBondContact O-N 2.87Å; P898-K902 PolarHBondContact O-N 3.03Å; P898-K902 VanDerWaalsContact O-N 3.11Å | ||
| 899 | P | 90.2 | Very high | 88.9 | Confident | 111 Ų | 111 | 74 Ų | 74 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.3 | -39.8 | -174.5 | -29.5 | 35 | 0 | 0 | 0 | 114.5 | K902 Q903 | P899-K902 PolarHBondContact O-N 3.09Å; P899-Q903 PolarHBondContact O-N 3.11Å |
| 900 | L | 89.9 | Confident | 88.8 | Confident | 131 Ų | 131 | 73.6 Ų | 73.6 | 69% | 0.686 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 178.5 | -70 | 175.1 | 0 | 0 | 0 | 112.5 | P898 Q903 R904 | P898-L900 VanDerWaalsContact C-N 3.28Å; P898-L900 PolarHBondContact O-N 3.27Å; P898-L900 VanDerWaalsContact O-N 3.16Å; L900-Q903 PolarHBondContact O-N 3.22Å; L900-R904 PolarHBondContact O-N 3.19Å |
| 901 | L | 91.7 | Very high | 87.9 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 5% | 0.052 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.8 | 176.3 | 57.2 | 0 | 0 | 0 | 110 | I854 D858 S861 F897 P898 Q903 R904 L905 | I854-L901 HydrophobicContact CG1-CD2 4.35Å; D858-L901 HydrophobicContact CB-CD1 4.28Å; D858-L901 HydrophobicContact CB-CD2 4.14Å; S861-L901 WeakPolarHBondContact OG-CD1 3.41Å; F897-L901 HydrophobicContact CB-CD2 4.37Å; F897-L901 HydrophobicContact CD2-CD2 4.05Å; F897-L901 HydrophobicContact CD2-CG 4.28Å; F897-L901 HydrophobicContact CG-CD2 4.21Å; P898-L901 HydrophobicContact CB-CB 4.33Å; P898-L901 WeakPolarHBondContact O-CB 3.33Å; P898-L901 PolarHBondContact O-N 2.87Å; L901-Q903 VanDerWaalsContact C-N 3.33Å; L901-Q903 PolarHBondContact O-N 2.75Å; L901-R904 PolarHBondContact O-N 3.07Å; L901-L905 HydrophobicContact CD1-CD1 3.93Å; L901-L905 HydrophobicContact CD1-CD2 4.49Å; L901-L905 HydrophobicContact CD1-CG 3.97Å; L901-L905 HydrophobicContact CG-CD1 3.92Å; L901-L905 HydrophobicContact CG-CG 4.4Å; L901-L905 WeakPolarHBondContact O-CG 3.29Å; L901-L905 PolarHBondContact O-N 2.96Å |
| 902 | K | 89.4 | Confident | 87.8 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 178 | -171.8 | 172 | -175.6 | 165.4 | 0 | 112.1 | P898 P899 G906 | P898-K902 PolarHBondContact O-N 3.03Å; P898-K902 VanDerWaalsContact O-N 3.11Å; P899-K902 PolarHBondContact O-N 3.09Å; K902-G906 PolarHBondContact O-N 3.14Å |
| 903 | Q | 90.1 | Very high | 87.8 | Confident | 141 Ų | 141 | 69.5 Ų | 69.5 | 66% | 0.659 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 176.9 | -175.3 | -178.2 | 1.6 | 0 | 0 | 112.1 | P899 L900 L901 G906 H907 | P899-Q903 PolarHBondContact O-N 3.11Å; L900-Q903 PolarHBondContact O-N 3.22Å; L901-Q903 VanDerWaalsContact C-N 3.33Å; L901-Q903 PolarHBondContact O-N 2.75Å; Q903-G906 PolarHBondContact O-N 2.84Å; Q903-H907 WeakPolarHBondContact O-CB 3.48Å; Q903-H907 PolarHBondContact O-N 3.02Å |
| 904 | R | 90.3 | Very high | 87.9 | Confident | 125 Ų | 125 | 69.7 Ų | 69.7 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 178.3 | -88.6 | -169.2 | 154 | -176.1 | -2.3 | 112.4 | S861 L900 L901 G906 H907 L908 | S861-R904 PolarHBondContact O-NH1 3.08Å; L900-R904 PolarHBondContact O-N 3.19Å; L901-R904 PolarHBondContact O-N 3.07Å; R904-G906 VanDerWaalsContact C-N 3.33Å; R904-G906 PolarHBondContact O-N 3.01Å; R904-H907 PolarHBondContact O-N 3.34Å; R904-L908 WeakPolarHBondContact O-CB 3.48Å; R904-L908 WeakPolarHBondContact O-CG 3.39Å; R904-L908 PolarHBondContact O-N 2.89Å |
| 905 | L | 90.8 | Very high | 88 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 5% | 0.052 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 177.5 | -68.8 | 171 | 0 | 0 | 0 | 111.6 | C857 I860 F897 L901 H907 Y909 G910 | C857-L905 HydrophobicContact CB-CD1 3.87Å; C857-L905 HydrophobicContact CB-CD2 4.3Å; I860-L905 HydrophobicContact CD1-CD2 4.08Å; I860-L905 HydrophobicContact CG1-CD2 4.14Å; F897-L905 HydrophobicContact CD2-CD1 3.9Å; F897-L905 HydrophobicContact CE2-CD1 3.79Å; L901-L905 HydrophobicContact CD1-CD1 3.93Å; L901-L905 HydrophobicContact CD1-CD2 4.49Å; L901-L905 HydrophobicContact CD1-CG 3.97Å; L901-L905 HydrophobicContact CG-CD1 3.92Å; L901-L905 HydrophobicContact CG-CG 4.4Å; L901-L905 WeakPolarHBondContact O-CG 3.29Å; L901-L905 PolarHBondContact O-N 2.96Å; L905-H907 VanDerWaalsContact C-N 3.34Å; L905-H907 PolarHBondContact O-N 3.48Å; L905-Y909 HydrophobicContact CD2-CD2 3.81Å; L905-Y909 HydrophobicContact CD2-CE2 4.04Å; L905-Y909 WeakPolarHBondContact O-CA 3.11Å; L905-Y909 WeakPolarHBondContact O-CB 3.19Å; L905-Y909 PolarHBondContact O-N 3.39Å; L905-G910 PolarHBondContact O-N 2.97Å |
| 906 | G | 89.2 | Confident | 88.1 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 33% | 0.33 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K902 Q903 R904 G910 M911 | K902-G906 PolarHBondContact O-N 3.14Å; Q903-G906 PolarHBondContact O-N 2.84Å; R904-G906 VanDerWaalsContact C-N 3.33Å; R904-G906 PolarHBondContact O-N 3.01Å; G906-G910 VanDerWaalsContact O-CA 3.27Å; G906-G910 WeakPolarHBondContact O-CA 3.48Å; G906-G910 PolarHBondContact O-N 3.06Å; G906-G910 VanDerWaalsContact O-N 3.09Å; G906-M911 WeakPolarHBondContact CA-O 3.38Å |
| 907 | H | 88.3 | Confident | 88.2 | Confident | 160 Ų | 160 | 73.9 Ų | 73.9 | 74% | 0.741 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69.5 | -46.3 | 178 | -177 | 65.5 | 0 | 0 | 0 | 113.2 | Q903 R904 L905 | Q903-H907 WeakPolarHBondContact O-CB 3.48Å; Q903-H907 PolarHBondContact O-N 3.02Å; R904-H907 PolarHBondContact O-N 3.34Å; L905-H907 VanDerWaalsContact C-N 3.34Å; L905-H907 PolarHBondContact O-N 3.48Å |
| 908 | L | 88.3 | Confident | 88.1 | Confident | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.251 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -79.5 | -39.8 | -173.7 | -67.1 | 173.8 | 0 | 0 | 0 | 112.7 | R871 R904 | R871-L908 PolarHBondContact NE-O 2.89Å; R871-L908 PolarHBondContact NH2-O 2.91Å; R904-L908 WeakPolarHBondContact O-CB 3.48Å; R904-L908 WeakPolarHBondContact O-CG 3.39Å; R904-L908 PolarHBondContact O-N 2.89Å |
| 909 | Y | 90.1 | Very high | 87.8 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -123.1 | -6.2 | -167.4 | -51.5 | -63.1 | 0 | 0 | 0 | 114.2 | I860 L866 R871 F874 V875 L878 L905 M911 | I860-Y909 HydrophobicContact CB-CE2 4.3Å; I860-Y909 HydrophobicContact CD1-CD2 4.18Å; I860-Y909 HydrophobicContact CD1-CE2 3.78Å; I860-Y909 HydrophobicContact CG1-CE2 3.84Å; I860-Y909 PolarHBondContact O-OH 3.13Å; L866-Y909 HydrophobicContact CD2-CE1 3.86Å; R871-Y909 HydrophobicContact CG-CD1 4.13Å; R871-Y909 HydrophobicContact CG-CE1 4.04Å; F874-Y909 HydrophobicContact CB-CD1 4.49Å; F874-Y909 HydrophobicContact CB-CE1 4.08Å; F874-Y909 AromaticContact CD2-CE1 3.89Å; F874-Y909 HydrophobicContact CD2-CE1 3.89Å; F874-Y909 AromaticContact CD2-CZ 3.88Å; F874-Y909 WeakPolarHBondContact CD2-OH 3.45Å; V875-Y909 HydrophobicContact CG2-CD1 3.92Å; V875-Y909 HydrophobicContact CG2-CG 4.47Å; L878-Y909 HydrophobicContact CD1-CD2 4.26Å; L878-Y909 HydrophobicContact CD1-CG 4.26Å; L905-Y909 HydrophobicContact CD2-CD2 3.81Å; L905-Y909 HydrophobicContact CD2-CE2 4.04Å; L905-Y909 WeakPolarHBondContact O-CA 3.11Å; L905-Y909 WeakPolarHBondContact O-CB 3.19Å; L905-Y909 PolarHBondContact O-N 3.39Å; Y909-M911 VanDerWaalsContact C-N 3.33Å; Y909-M911 PolarHBondContact O-N 2.84Å |
| 910 | G | 84.1 | Confident | 87.6 | Confident | 66 Ų | 66 | 76 Ų | 76 | 68% | 0.68 | 40% | 0.398 | S | S | * | . | trans | 70.5 | 25.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L905 G906 | L905-G910 PolarHBondContact O-N 2.97Å; G906-G910 VanDerWaalsContact O-CA 3.27Å; G906-G910 WeakPolarHBondContact O-CA 3.48Å; G906-G910 PolarHBondContact O-N 3.06Å; G906-G910 VanDerWaalsContact O-N 3.09Å | ||
| 911 | M | 69.4 | Low | 87.4 | Confident | 71 Ų | 71 | 71 Ų | 71 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | trans | -103.4 | 0 | -177.2 | -73.5 | -72.4 | -70.2 | 0 | 0 | 113.8 | L878 K882 W890 G906 Y909 | L878-M911 HydrophobicContact CB-CE 4.12Å; L878-M911 HydrophobicContact CB-CG 4.37Å; L878-M911 HydrophobicContact CD1-CG 4.19Å; K882-M911 HydrophobicContact CB-CE 4.05Å; K882-M911 HydrophobicContact CD-CE 3.65Å; K882-M911 HydrophobicContact CD-SD 4.36Å; K882-M911 HydrophobicContact CG-CE 4.46Å; W890-M911 HydrophobicContact CD2-CE 4.5Å; W890-M911 VanDerWaalsContact CE2-CE 3.49Å; W890-M911 HydrophobicContact CH2-CE 4.11Å; W890-M911 HydrophobicContact CZ2-CE 3.26Å; G906-M911 WeakPolarHBondContact CA-O 3.38Å; Y909-M911 VanDerWaalsContact C-N 3.33Å; Y909-M911 PolarHBondContact O-N 2.84Å |
Retrieved 911 of 911 residues in 502.4 ms
(Link to these results)