| 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 | 36.9 | Very low | 42.1 | Very low | 250 Ų | 250 | 143.9 Ų | 143.9 | 100% | 1.232 | 78% | 0.783 | S | S | * | * | 0 | 112.6 | 0 | -92.9 | 168.6 | 171.5 | 0 | 0 | 108.1 | |||||
| 2 | R | 37.1 | Very low | 42.9 | Very low | 237 Ų | 237 | 142.1 Ų | 142.1 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -82 | 126.3 | 164.8 | -78 | 178 | 174.1 | 154.6 | -1.9 | 106.2 | ||||
| 3 | A | 38.8 | Very low | 43.7 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -89.2 | 107.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | V5 | A3-V5 PolarHBondContact O-N 3.32Š| ||
| 4 | D | 44.8 | Very low | 44.5 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -71 | 112.4 | 170.9 | -59.7 | -41.6 | 0 | 0 | 0 | 107.2 | E6 | D4-E6 PolarHBondContact O-N 3.31Š| ||
| 5 | V | 46.7 | Very low | 45.6 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -81.7 | 104.9 | 173 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | A3 Y7 | A3-V5 PolarHBondContact O-N 3.32Å; V5-Y7 PolarHBondContact O-N 3.29Å | ||
| 6 | E | 40.7 | Very low | 46.6 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -67.5 | 112.9 | 173 | -164.2 | 168.6 | -165.7 | 0 | 0 | 109.4 | D4 S8 | D4-E6 PolarHBondContact O-N 3.31Å; E6-S8 PolarHBondContact O-N 3.32Å | ||
| 7 | Y | 40.3 | Very low | 48.1 | Very low | 179 Ų | 179 | 123.1 Ų | 123.1 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | trans | -78.9 | 107.5 | 175.8 | -167.2 | -92 | 0 | 0 | 0 | 109.1 | V5 | V5-Y7 PolarHBondContact O-N 3.29Š| ||
| 8 | S | 41.1 | Very low | 49.5 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | trans | -78.1 | 123.6 | 175.5 | -173 | 0 | 0 | 0 | 0 | 110.6 | E6 V10 | E6-S8 PolarHBondContact O-N 3.32Å; S8-V10 PolarHBondContact O-N 3.2Å | ||
| 9 | P | 45.6 | Very low | 51 | Low | 97 Ų | 97 | 123.5 Ų | 123.5 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -82.5 | 10.6 | -172.4 | 33.5 | -34.7 | 0 | 0 | 0 | 113.9 | G11 | P9-G11 VanDerWaalsContact C-N 3.25Å; P9-G11 PolarHBondContact O-N 3.2Å |
| 10 | V | 44.8 | Very low | 52.6 | Low | 111 Ų | 111 | 123.9 Ų | 123.9 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -78.8 | -4.9 | -165 | -173.1 | 0 | 0 | 0 | 0 | 113.4 | S8 | S8-V10 PolarHBondContact O-N 3.2Š|
| 11 | G | 46.7 | Very low | 54.1 | Low | 61 Ų | 61 | 123.1 Ų | 123.1 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -96.6 | -18.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117 | P9 | P9-G11 VanDerWaalsContact C-N 3.25Å; P9-G11 PolarHBondContact O-N 3.2Å |
| 12 | E | 51.4 | Low | 56.3 | Low | 122 Ų | 122 | 116.7 Ų | 116.7 | 57% | 0.57 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.9 | -29.1 | -168.6 | -71.3 | -169.1 | 149.8 | 0 | 0 | 113.8 | M16 | E12-M16 WeakPolarHBondContact O-CB 3.22Å; E12-M16 WeakPolarHBondContact O-CG 3.44Å |
| 13 | G | 53 | Low | 58.6 | Low | 56 Ų | 56 | 106.3 Ų | 106.3 | 58% | 0.577 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -80.5 | -42.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S17 | G13-S17 PolarHBondContact O-N 3.1Å |
| 14 | L | 54.9 | Low | 61 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.5 | -47.1 | -175.9 | -73 | 168.8 | 0 | 0 | 0 | 111.6 | M16 S17 E18 | L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 2.74Å; L14-S17 PolarHBondContact O-N 3.17Å; L14-S17 PolarHBondContact O-OG 2.93Å; L14-E18 WeakPolarHBondContact O-CG 3.47Å; L14-E18 PolarHBondContact O-N 3.17Å; L14-E18 VanDerWaalsContact O-N 3.09Å |
| 15 | G | 61.2 | Low | 63.1 | Low | 44 Ų | 44 | 108.3 Ų | 108.3 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.2 | -33.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F19 | G15-F19 WeakPolarHBondContact O-CB 3.49Å; G15-F19 PolarHBondContact O-N 3.18Å; G15-F19 VanDerWaalsContact O-N 3.1Å |
| 16 | M | 62.4 | Low | 65.2 | Low | 111 Ų | 111 | 104 Ų | 104 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 172.6 | -76.3 | -176.3 | 61.8 | 0 | 0 | 111.8 | E12 L14 E18 F19 W20 | E12-M16 WeakPolarHBondContact O-CB 3.22Å; E12-M16 WeakPolarHBondContact O-CG 3.44Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 2.74Å; M16-E18 PolarHBondContact O-N 3.09Å; M16-F19 WeakPolarHBondContact O-CB 3.39Å; M16-F19 PolarHBondContact O-N 3.38Å; M16-W20 PolarHBondContact O-N 3.33Å |
| 17 | S | 71.3 | Confident | 67.5 | Low | 52 Ų | 52 | 99.9 Ų | 99.9 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 178.8 | 76.4 | 0 | 0 | 0 | 0 | 112.3 | G13 L14 W20 L21 | G13-S17 PolarHBondContact O-N 3.1Å; L14-S17 PolarHBondContact O-N 3.17Å; L14-S17 PolarHBondContact O-OG 2.93Å; S17-W20 PolarHBondContact O-N 3.1Å; S17-L21 WeakPolarHBondContact O-CB 3.25Å; S17-L21 VanDerWaalsContact O-CG 3.25Å; S17-L21 WeakPolarHBondContact O-CG 3.39Å; S17-L21 PolarHBondContact O-N 3.47Å |
| 18 | E | 73.5 | Confident | 70 | Confident | 133 Ų | 133 | 95.6 Ų | 95.6 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 176.5 | -68.8 | -174.4 | 161.9 | 0 | 0 | 112.2 | L14 M16 L21 Y22 | L14-E18 WeakPolarHBondContact O-CG 3.47Å; L14-E18 PolarHBondContact O-N 3.17Å; L14-E18 VanDerWaalsContact O-N 3.09Å; M16-E18 PolarHBondContact O-N 3.09Å; E18-L21 PolarHBondContact O-N 2.96Å; E18-Y22 WeakPolarHBondContact O-CB 3.46Å; E18-Y22 PolarHBondContact O-N 3.48Å |
| 19 | F | 78.4 | Confident | 72.6 | Confident | 121 Ų | 121 | 92.8 Ų | 92.8 | 53% | 0.531 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 173.5 | 174.3 | -97.4 | 0 | 0 | 0 | 112 | G15 M16 Y22 V23 | G15-F19 WeakPolarHBondContact O-CB 3.49Å; G15-F19 PolarHBondContact O-N 3.18Å; G15-F19 VanDerWaalsContact O-N 3.1Å; M16-F19 WeakPolarHBondContact O-CB 3.39Å; M16-F19 PolarHBondContact O-N 3.38Å; F19-Y22 PolarHBondContact O-N 3.09Å; F19-V23 HydrophobicContact CE1-CG2 4.14Å; F19-V23 HydrophobicContact CE2-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 4.02Å; F19-V23 WeakPolarHBondContact O-CG2 3.43Å; F19-V23 PolarHBondContact O-N 3.25Å |
| 20 | W | 82.7 | Confident | 75 | Confident | 132 Ų | 132 | 88.7 Ų | 88.7 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 178.1 | -73.7 | 113.4 | 0 | 0 | 0 | 111.9 | M16 S17 Y22 V23 W24 | M16-W20 PolarHBondContact O-N 3.33Å; S17-W20 PolarHBondContact O-N 3.1Å; W20-Y22 VanDerWaalsContact C-N 3.31Å; W20-Y22 PolarHBondContact O-N 2.98Å; W20-V23 PolarHBondContact O-N 3.29Å; W20-W24 WeakPolarHBondContact O-CB 3.39Å; W20-W24 PolarHBondContact O-N 3.1Å |
| 21 | L | 84.9 | Confident | 77.3 | Confident | 108 Ų | 108 | 88.4 Ų | 88.4 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.3 | -47.4 | 174.2 | -74.5 | 167.6 | 0 | 0 | 0 | 111.1 | S17 E18 V23 W24 M25 | S17-L21 WeakPolarHBondContact O-CB 3.25Å; S17-L21 VanDerWaalsContact O-CG 3.25Å; S17-L21 WeakPolarHBondContact O-CG 3.39Å; S17-L21 PolarHBondContact O-N 3.47Å; E18-L21 PolarHBondContact O-N 2.96Å; L21-V23 PolarHBondContact O-N 3.41Å; L21-W24 PolarHBondContact O-N 3.44Å; L21-M25 WeakPolarHBondContact O-CB 3.46Å; L21-M25 VanDerWaalsContact O-CG 3.26Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.14Å |
| 22 | Y | 83.1 | Confident | 79.7 | Confident | 115 Ų | 115 | 86.9 Ų | 86.9 | 45% | 0.451 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 177.6 | 175.5 | -103.7 | 0 | 0 | 0 | 113 | E18 F19 W20 M25 R26 | E18-Y22 WeakPolarHBondContact O-CB 3.46Å; E18-Y22 PolarHBondContact O-N 3.48Å; F19-Y22 PolarHBondContact O-N 3.09Å; W20-Y22 VanDerWaalsContact C-N 3.31Å; W20-Y22 PolarHBondContact O-N 2.98Å; Y22-M25 PolarHBondContact O-N 2.93Å; Y22-R26 HydrophobicContact CE2-CG 4.34Å; Y22-R26 WeakPolarHBondContact O-CG 3.5Å; Y22-R26 PolarHBondContact O-N 3.29Å; Y22-R26 VanDerWaalsContact O-N 3.1Å; Y22-R26 WeakPolarHBondContact OH-CD 3.26Å |
| 23 | V | 84.7 | Confident | 81.9 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 11% | 0.109 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | F19 W20 L21 R26 R27 | F19-V23 HydrophobicContact CE1-CG2 4.14Å; F19-V23 HydrophobicContact CE2-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 4.02Å; F19-V23 WeakPolarHBondContact O-CG2 3.43Å; F19-V23 PolarHBondContact O-N 3.25Å; W20-V23 PolarHBondContact O-N 3.29Å; L21-V23 PolarHBondContact O-N 3.41Å; V23-R26 PolarHBondContact O-N 3.46Å; V23-R27 WeakPolarHBondContact O-CG 3.47Å; V23-R27 PolarHBondContact O-N 3.06Å; V23-R27 VanDerWaalsContact O-N 3.07Å |
| 24 | W | 88.4 | Confident | 84 | Confident | 149 Ų | 149 | 79.4 Ų | 79.4 | 56% | 0.564 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 177.8 | -80 | 115.2 | 0 | 0 | 0 | 112.3 | W20 L21 R26 R27 V28 | W20-W24 WeakPolarHBondContact O-CB 3.39Å; W20-W24 PolarHBondContact O-N 3.1Å; L21-W24 PolarHBondContact O-N 3.44Å; W24-R26 VanDerWaalsContact C-N 3.29Å; W24-R26 PolarHBondContact O-N 3.37Å; W24-R27 PolarHBondContact O-N 2.87Å; W24-V28 WeakPolarHBondContact O-CG2 3.28Å; W24-V28 PolarHBondContact O-N 3.45Å |
| 25 | M | 89.9 | Confident | 86 | Confident | 135 Ų | 135 | 78 Ų | 78 | 67% | 0.665 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.3 | -41.6 | 177 | -73.2 | 178.3 | 72.9 | 0 | 0 | 112 | L21 Y22 V28 A29 | L21-M25 WeakPolarHBondContact O-CB 3.46Å; L21-M25 VanDerWaalsContact O-CG 3.26Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.14Å; Y22-M25 PolarHBondContact O-N 2.93Å; M25-V28 PolarHBondContact O-N 3.2Å; M25-A29 WeakPolarHBondContact O-CB 3.32Å; M25-A29 PolarHBondContact O-N 3.27Å |
| 26 | R | 89.5 | Confident | 87.8 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 18% | 0.177 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 177.7 | -70.9 | -177.1 | 66.8 | -137.3 | -3.8 | 112.6 | Y22 V23 W24 A29 V30 E80 | Y22-R26 HydrophobicContact CE2-CG 4.34Å; Y22-R26 WeakPolarHBondContact O-CG 3.5Å; Y22-R26 PolarHBondContact O-N 3.29Å; Y22-R26 VanDerWaalsContact O-N 3.1Å; Y22-R26 WeakPolarHBondContact OH-CD 3.26Å; V23-R26 PolarHBondContact O-N 3.46Å; W24-R26 VanDerWaalsContact C-N 3.29Å; W24-R26 PolarHBondContact O-N 3.37Å; R26-A29 PolarHBondContact O-N 2.89Å; R26-V30 WeakPolarHBondContact O-CG2 3.3Å; R26-V30 PolarHBondContact O-N 3.37Å; R26-E80 HydrophobicContact CB-CG 4.02Å; R26-E80 IonicContact CZ-OE1 3.66Å; R26-E80 IonicContact NH1-OE1 3.37Å; R26-E80 PolarHBondContact NH1-OE1 2.97Å; R26-E80 IonicContact NH2-OE1 2.84Å; R26-E80 PolarHBondContact NH2-OE1 3.36Å |
| 27 | R | 90.8 | Very high | 89.5 | Confident | 97 Ų | 97 | 72.1 Ų | 72.1 | 37% | 0.366 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 174.3 | -71.7 | 176.2 | 178.7 | -172.9 | -0.2 | 111.5 | V23 W24 A29 V30 I31 E80 | V23-R27 WeakPolarHBondContact O-CG 3.47Å; V23-R27 PolarHBondContact O-N 3.06Å; V23-R27 VanDerWaalsContact O-N 3.07Å; W24-R27 PolarHBondContact O-N 2.87Å; R27-A29 VanDerWaalsContact C-N 3.3Å; R27-A29 PolarHBondContact O-N 3.37Å; R27-V30 PolarHBondContact O-N 2.89Å; R27-I31 VanDerWaalsContact O-CG1 3.32Å; R27-I31 WeakPolarHBondContact O-CG1 3.42Å; R27-I31 PolarHBondContact O-N 3.45Å; R27-E80 HydrophobicContact CG-CB 3.95Å; R27-E80 IonicContact NE-OE2 3.89Å |
| 28 | V | 92.8 | Very high | 90.8 | Very high | 89 Ų | 89 | 73 Ų | 73 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | W24 M25 V30 I31 A32 | W24-V28 WeakPolarHBondContact O-CG2 3.28Å; W24-V28 PolarHBondContact O-N 3.45Å; M25-V28 PolarHBondContact O-N 3.2Å; V28-V30 PolarHBondContact O-N 3.34Å; V28-I31 PolarHBondContact O-N 3.07Å; V28-A32 VanDerWaalsContact O-CB 3.3Å; V28-A32 WeakPolarHBondContact O-CB 3.34Å; V28-A32 PolarHBondContact O-N 3.33Å |
| 29 | A | 95 | Very high | 92 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 22% | 0.223 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M25 R26 R27 A32 A33 F210 V214 | M25-A29 WeakPolarHBondContact O-CB 3.32Å; M25-A29 PolarHBondContact O-N 3.27Å; R26-A29 PolarHBondContact O-N 2.89Å; R27-A29 VanDerWaalsContact C-N 3.3Å; R27-A29 PolarHBondContact O-N 3.37Å; A29-A32 PolarHBondContact O-N 2.82Å; A29-A33 PolarHBondContact O-N 2.67Å; A29-F210 HydrophobicContact CB-CZ 4.16Å; A29-F210 WeakPolarHBondContact O-CE1 3.45Å; A29-V214 HydrophobicContact CB-CG2 4.11Å |
| 30 | V | 94.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 176 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | R26 R27 V28 A32 A33 H34 E80 V214 | R26-V30 WeakPolarHBondContact O-CG2 3.3Å; R26-V30 PolarHBondContact O-N 3.37Å; R27-V30 PolarHBondContact O-N 2.89Å; V28-V30 PolarHBondContact O-N 3.34Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 3.48Å; V30-A33 WeakPolarHBondContact O-CB 3.38Å; V30-A33 PolarHBondContact O-N 2.93Å; V30-H34 PolarHBondContact O-CD2 3.02Å; V30-H34 PolarHBondContact O-N 3.23Å; V30-H34 VanDerWaalsContact O-N 3.11Å; V30-E80 HydrophobicContact CG2-CB 4.22Å; V30-V214 HydrophobicContact CG2-CG1 3.87Å |
| 31 | I | 95.1 | Very high | 93.7 | Very high | 106 Ų | 106 | 56.7 Ų | 56.7 | 54% | 0.544 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.3 | -67.5 | 165.2 | 0 | 0 | 0 | 110.6 | R27 V28 A33 H34 V35 | R27-I31 VanDerWaalsContact O-CG1 3.32Å; R27-I31 WeakPolarHBondContact O-CG1 3.42Å; R27-I31 PolarHBondContact O-N 3.45Å; V28-I31 PolarHBondContact O-N 3.07Å; I31-A33 VanDerWaalsContact C-N 3.3Å; I31-A33 PolarHBondContact O-N 2.8Å; I31-H34 WeakPolarHBondContact O-CB 3.32Å; I31-H34 PolarHBondContact O-N 2.81Å; I31-V35 HydrophobicContact CG2-CG2 4.39Å; I31-V35 WeakPolarHBondContact O-CG2 3.48Å; I31-V35 PolarHBondContact O-N 3.38Å |
| 32 | A | 96.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 24% | 0.24 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V28 A29 V30 H34 V35 I36 F210 | V28-A32 VanDerWaalsContact O-CB 3.3Å; V28-A32 WeakPolarHBondContact O-CB 3.34Å; V28-A32 PolarHBondContact O-N 3.33Å; A29-A32 PolarHBondContact O-N 2.82Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 3.48Å; A32-H34 PolarHBondContact O-N 3.41Å; A32-V35 PolarHBondContact O-N 2.85Å; A32-I36 VanDerWaalsContact O-CB 3.31Å; A32-I36 WeakPolarHBondContact O-CB 3.44Å; A32-I36 WeakPolarHBondContact O-CD1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.4Å; A32-I36 PolarHBondContact O-N 3.34Å; A32-F210 HydrophobicContact CB-CE1 3.65Å; A32-F210 HydrophobicContact CB-CZ 4.01Å |
| 33 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A29 V30 I31 A37 L75 P211 V214 | A29-A33 PolarHBondContact O-N 2.67Å; V30-A33 WeakPolarHBondContact O-CB 3.38Å; V30-A33 PolarHBondContact O-N 2.93Å; I31-A33 VanDerWaalsContact C-N 3.3Å; I31-A33 PolarHBondContact O-N 2.8Å; A33-A37 WeakPolarHBondContact O-CB 3.41Å; A33-A37 PolarHBondContact O-N 3.07Å; A33-L75 HydrophobicContact CB-CD1 3.8Å; A33-P211 HydrophobicContact CB-CB 4.14Å; A33-P211 HydrophobicContact CB-CG 4.28Å; A33-V214 HydrophobicContact CB-CB 4.19Å; A33-V214 HydrophobicContact CB-CG1 4.16Å; A33-V214 HydrophobicContact CB-CG2 4.21Å |
| 34 | H | 97 | Very high | 95.7 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 173.4 | -69.8 | -64.1 | 0 | 0 | 0 | 112 | V30 I31 A32 I36 A37 V38 E72 L75 | V30-H34 PolarHBondContact O-CD2 3.02Å; V30-H34 PolarHBondContact O-N 3.23Å; V30-H34 VanDerWaalsContact O-N 3.11Å; I31-H34 WeakPolarHBondContact O-CB 3.32Å; I31-H34 PolarHBondContact O-N 2.81Å; A32-H34 PolarHBondContact O-N 3.41Å; H34-I36 VanDerWaalsContact C-N 3.34Å; H34-I36 PolarHBondContact O-N 3.43Å; H34-A37 PolarHBondContact O-N 2.92Å; H34-V38 WeakPolarHBondContact O-CG2 3.36Å; H34-V38 PolarHBondContact O-N 3.41Å; H34-E72 IonicContact CE1-OE1 3.75Å; H34-E72 IonicContact CE1-OE2 2.75Å; H34-E72 PolarHBondContact CE1-OE2 3.02Å; H34-E72 IonicContact CG-OE1 2.67Å; H34-E72 IonicContact ND1-OE1 3.16Å; H34-E72 PolarHBondContact ND1-OE1 3.27Å; H34-E72 IonicContact ND1-OE2 3.13Å; H34-E72 PolarHBondContact ND1-OE2 3.29Å; H34-L75 VanDerWaalsContact CE1-CB 3.49Å; H34-L75 WeakPolarHBondContact CE1-CB 3.45Å |
| 35 | V | 97.7 | Very high | 96.2 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 58% | 0.582 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | I31 A32 G39 | I31-V35 HydrophobicContact CG2-CG2 4.39Å; I31-V35 WeakPolarHBondContact O-CG2 3.48Å; I31-V35 PolarHBondContact O-N 3.38Å; A32-V35 PolarHBondContact O-N 2.85Å; V35-G39 PolarHBondContact O-N 2.89Å |
| 36 | I | 98.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 177.2 | -71.4 | 167.3 | 0 | 0 | 0 | 110.6 | A32 H34 G39 L40 L207 F210 P211 | A32-I36 VanDerWaalsContact O-CB 3.31Å; A32-I36 WeakPolarHBondContact O-CB 3.44Å; A32-I36 WeakPolarHBondContact O-CD1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.4Å; A32-I36 PolarHBondContact O-N 3.34Å; H34-I36 VanDerWaalsContact C-N 3.34Å; H34-I36 PolarHBondContact O-N 3.43Å; I36-G39 PolarHBondContact O-N 3.44Å; I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 VanDerWaalsContact O-CB 3.29Å; I36-L40 WeakPolarHBondContact O-CB 3.47Å; I36-L40 WeakPolarHBondContact O-CG 3.26Å; I36-L40 PolarHBondContact O-N 3.27Å; I36-L207 HydrophobicContact CD1-CD2 4.12Å; I36-L207 HydrophobicContact CG1-CD2 4.13Å; I36-L207 HydrophobicContact CG2-CB 4.11Å; I36-L207 HydrophobicContact CG2-CD2 4.38Å; I36-F210 HydrophobicContact CD1-CB 4.05Å; I36-F210 HydrophobicContact CD1-CD1 3.55Å; I36-F210 HydrophobicContact CD1-CE1 4.24Å; I36-F210 HydrophobicContact CD1-CG 3.93Å; I36-P211 HydrophobicContact CB-CG 4.22Å; I36-P211 HydrophobicContact CG2-CG 3.84Å |
| 37 | A | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A33 H34 T41 L68 T71 | A33-A37 WeakPolarHBondContact O-CB 3.41Å; A33-A37 PolarHBondContact O-N 3.07Å; H34-A37 PolarHBondContact O-N 2.92Å; A37-T41 WeakPolarHBondContact O-CB 3.42Å; A37-T41 PolarHBondContact O-N 3.46Å; A37-T41 PolarHBondContact O-OG1 3.11Å; A37-T41 VanDerWaalsContact O-OG1 3.07Å; A37-L68 HydrophobicContact CB-CD1 4.49Å; A37-T71 HydrophobicContact CB-CG2 4.02Å |
| 38 | V | 98.5 | Very high | 97.3 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 44% | 0.436 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | H34 L40 T41 V42 L68 | H34-V38 WeakPolarHBondContact O-CG2 3.36Å; H34-V38 PolarHBondContact O-N 3.41Å; V38-L40 PolarHBondContact O-N 3.19Å; V38-T41 PolarHBondContact O-N 3.48Å; V38-V42 HydrophobicContact CG1-CG2 4.39Å; V38-V42 WeakPolarHBondContact O-CG2 3.4Å; V38-V42 PolarHBondContact O-N 3.23Å; V38-L68 HydrophobicContact CG2-CD1 3.71Å |
| 39 | G | 98.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V35 I36 V42 L43 | V35-G39 PolarHBondContact O-N 2.89Å; I36-G39 PolarHBondContact O-N 3.44Å; G39-V42 PolarHBondContact O-N 2.68Å; G39-L43 WeakPolarHBondContact O-CB 3.33Å; G39-L43 VanDerWaalsContact O-CG 3.23Å; G39-L43 WeakPolarHBondContact O-CG 3.46Å; G39-L43 PolarHBondContact O-N 3.19Å |
| 40 | L | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.9 | -78 | 179.2 | 0 | 0 | 0 | 112.3 | I36 V38 V42 L43 I44 I67 F204 L207 P208 | I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.17Å; I36-L40 VanDerWaalsContact O-CB 3.29Å; I36-L40 WeakPolarHBondContact O-CB 3.47Å; I36-L40 WeakPolarHBondContact O-CG 3.26Å; I36-L40 PolarHBondContact O-N 3.27Å; V38-L40 PolarHBondContact O-N 3.19Å; L40-V42 VanDerWaalsContact C-N 3.34Å; L40-V42 PolarHBondContact O-N 2.93Å; L40-L43 PolarHBondContact O-N 3.32Å; L40-I44 WeakPolarHBondContact O-CB 3.3Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.07Å; L40-I44 PolarHBondContact O-N 3.18Å; L40-I67 HydrophobicContact CB-CG2 3.92Å; L40-I67 HydrophobicContact CD1-CG2 4.3Å; L40-F204 HydrophobicContact CD2-CD1 3.89Å; L40-F204 HydrophobicContact CD2-CE1 4.11Å; L40-L207 HydrophobicContact CD1-CB 3.79Å; L40-L207 HydrophobicContact CD2-CB 4.04Å; L40-L207 HydrophobicContact CD2-CD1 3.81Å; L40-L207 HydrophobicContact CG-CB 4.19Å; L40-L207 HydrophobicContact CG-CD1 4.43Å; L40-P208 HydrophobicContact CD1-CG 3.88Å |
| 41 | T | 98.7 | Very high | 97.6 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | A37 V38 S45 S63 I64 L68 | A37-T41 WeakPolarHBondContact O-CB 3.42Å; A37-T41 PolarHBondContact O-N 3.46Å; A37-T41 PolarHBondContact O-OG1 3.11Å; A37-T41 VanDerWaalsContact O-OG1 3.07Å; V38-T41 PolarHBondContact O-N 3.48Å; T41-S45 VanDerWaalsContact O-CB 3.27Å; T41-S45 WeakPolarHBondContact O-CB 3.13Å; T41-S45 PolarHBondContact O-N 2.83Å; T41-S45 PolarHBondContact O-OG 2.96Å; T41-S63 PolarHBondContact OG1-O 3.48Å; T41-I64 HydrophobicContact CG2-CG1 3.83Å; T41-L68 HydrophobicContact CG2-CB 4.21Å; T41-L68 HydrophobicContact CG2-CD2 4.28Å; T41-L68 WeakPolarHBondContact OG1-CB 3.4Å |
| 42 | V | 98.6 | Very high | 97.7 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | V38 G39 L40 I44 S45 V46 | V38-V42 HydrophobicContact CG1-CG2 4.39Å; V38-V42 WeakPolarHBondContact O-CG2 3.4Å; V38-V42 PolarHBondContact O-N 3.23Å; G39-V42 PolarHBondContact O-N 2.68Å; L40-V42 VanDerWaalsContact C-N 3.34Å; L40-V42 PolarHBondContact O-N 2.93Å; V42-I44 PolarHBondContact O-N 3.4Å; V42-S45 PolarHBondContact O-N 2.92Å; V42-V46 HydrophobicContact CG1-CG2 4.44Å; V42-V46 WeakPolarHBondContact O-CG2 3.48Å; V42-V46 PolarHBondContact O-N 3.31Å |
| 43 | L | 98.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | -179.4 | -73.8 | 171 | 0 | 0 | 0 | 111.8 | G39 L40 S45 V46 L47 F204 | G39-L43 WeakPolarHBondContact O-CB 3.33Å; G39-L43 VanDerWaalsContact O-CG 3.23Å; G39-L43 WeakPolarHBondContact O-CG 3.46Å; G39-L43 PolarHBondContact O-N 3.19Å; L40-L43 PolarHBondContact O-N 3.32Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.37Å; L43-V46 PolarHBondContact O-N 3.42Å; L43-L47 WeakPolarHBondContact O-CB 3.17Å; L43-L47 VanDerWaalsContact O-CG 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 3.06Å; L43-F204 HydrophobicContact CB-CE1 4.1Å; L43-F204 HydrophobicContact CB-CZ 3.99Å; L43-F204 HydrophobicContact CD1-CZ 4.23Å |
| 44 | I | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.4 | -70 | 168.1 | 0 | 0 | 0 | 109.9 | L40 V42 V46 L47 S48 P59 I67 F204 | L40-I44 WeakPolarHBondContact O-CB 3.3Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.07Å; L40-I44 PolarHBondContact O-N 3.18Å; V42-I44 PolarHBondContact O-N 3.4Å; I44-V46 PolarHBondContact O-N 3.47Å; I44-L47 PolarHBondContact O-N 3.09Å; I44-S48 VanDerWaalsContact O-CB 3.27Å; I44-S48 WeakPolarHBondContact O-CB 3.49Å; I44-S48 PolarHBondContact O-N 3.29Å; I44-S48 PolarHBondContact O-OG 3.2Å; I44-P59 HydrophobicContact CG2-CB 3.91Å; I44-I67 HydrophobicContact CD1-CD1 3.47Å; I44-I67 VanDerWaalsContact CD1-CD1 3.47Å; I44-F204 HydrophobicContact CG1-CD1 4.49Å; I44-F204 HydrophobicContact CG1-CE1 4.1Å |
| 45 | S | 98.1 | Very high | 97.7 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 180 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | T41 V42 L43 S48 R49 P50 | T41-S45 VanDerWaalsContact O-CB 3.27Å; T41-S45 WeakPolarHBondContact O-CB 3.13Å; T41-S45 PolarHBondContact O-N 2.83Å; T41-S45 PolarHBondContact O-OG 2.96Å; V42-S45 PolarHBondContact O-N 2.92Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.37Å; S45-S48 PolarHBondContact O-N 3.47Å; S45-R49 PolarHBondContact O-N 3.11Å; S45-P50 VanDerWaalsContact O-CD 3.3Å; S45-P50 WeakPolarHBondContact O-CD 3.49Å |
| 46 | V | 98.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 51.7 Ų | 51.7 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64 | -47.2 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | V42 L43 I44 S48 R49 | V42-V46 HydrophobicContact CG1-CG2 4.44Å; V42-V46 WeakPolarHBondContact O-CG2 3.48Å; V42-V46 PolarHBondContact O-N 3.31Å; L43-V46 PolarHBondContact O-N 3.42Å; I44-V46 PolarHBondContact O-N 3.47Å; V46-S48 PolarHBondContact O-N 3.21Å; V46-R49 PolarHBondContact O-N 3.39Å |
| 47 | L | 97.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -30.6 | 179.2 | -70.5 | 174.9 | 0 | 0 | 0 | 112.7 | L43 I44 R49 T195 V196 F204 | L43-L47 WeakPolarHBondContact O-CB 3.17Å; L43-L47 VanDerWaalsContact O-CG 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.31Å; L43-L47 PolarHBondContact O-N 3.06Å; I44-L47 PolarHBondContact O-N 3.09Å; L47-R49 VanDerWaalsContact C-N 3.29Å; L47-R49 PolarHBondContact O-N 2.96Å; L47-T195 HydrophobicContact CB-CG2 4.08Å; L47-T195 HydrophobicContact CD2-CG2 4.14Å; L47-V196 HydrophobicContact CD1-CG2 3.71Å; L47-F204 HydrophobicContact CD1-CE1 4.27Å; L47-F204 HydrophobicContact CD1-CE2 4.3Å; L47-F204 HydrophobicContact CD1-CZ 3.67Å |
| 48 | S | 97.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70 | -24.9 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 113.5 | I44 S45 V46 S56 P59 | I44-S48 VanDerWaalsContact O-CB 3.27Å; I44-S48 WeakPolarHBondContact O-CB 3.49Å; I44-S48 PolarHBondContact O-N 3.29Å; I44-S48 PolarHBondContact O-OG 3.2Å; S45-S48 PolarHBondContact O-N 3.47Å; V46-S48 PolarHBondContact O-N 3.21Å; S48-S56 WeakPolarHBondContact CB-O 3.29Å; S48-S56 WeakPolarHBondContact O-CB 3.47Å; S48-P59 WeakPolarHBondContact OG-CB 3.44Å; S48-P59 WeakPolarHBondContact OG-CG 3.12Å |
| 49 | R | 97.4 | Very high | 97.7 | Very high | 181 Ų | 181 | 53 Ų | 53 | 68% | 0.683 | 30% | 0.3 | S | S | * | . | trans | 52.1 | 63.9 | -177.6 | -57.5 | 178.4 | -179.9 | -177.3 | -0.7 | 111.5 | S45 V46 L47 G51 T52 S56 | S45-R49 PolarHBondContact O-N 3.11Å; V46-R49 PolarHBondContact O-N 3.39Å; L47-R49 VanDerWaalsContact C-N 3.29Å; L47-R49 PolarHBondContact O-N 2.96Å; R49-G51 PolarHBondContact O-N 3.19Å; R49-T52 HydrophobicContact CB-CG2 3.86Å; R49-T52 WeakPolarHBondContact O-CG2 3.47Å; R49-T52 PolarHBondContact O-N 2.83Å; R49-T52 PolarHBondContact O-OG1 2.86Å; R49-S56 WeakPolarHBondContact O-CB 3.4Å | ||
| 50 | P | 96.5 | Very high | 97.7 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 132 | -176.2 | 20.6 | -32.3 | 0 | 0 | 0 | 111.6 | S45 W57 V60 | S45-P50 VanDerWaalsContact O-CD 3.3Å; S45-P50 WeakPolarHBondContact O-CD 3.49Å; P50-W57 HydrophobicContact CB-CD2 4.22Å; P50-W57 HydrophobicContact CB-CE3 4.05Å; P50-W57 HydrophobicContact CB-CH2 3.78Å; P50-W57 HydrophobicContact CB-CZ2 3.93Å; P50-W57 HydrophobicContact CB-CZ3 3.83Å; P50-V60 HydrophobicContact CB-CG2 4.21Å; P50-V60 HydrophobicContact CG-CG2 4.46Å |
| 51 | G | 95.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.4 | -12.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R49 S53 S56 | R49-G51 PolarHBondContact O-N 3.19Å; G51-S53 VanDerWaalsContact C-N 3.34Å; G51-S56 PolarHBondContact N-OG 2.92Å; G51-S56 VanDerWaalsContact N-OG 3.08Å |
| 52 | T | 96.1 | Very high | 97.8 | Very high | 105 Ų | 105 | 53.7 Ų | 53.7 | 64% | 0.644 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -77.2 | -21.2 | 175.3 | 61 | 0 | 0 | 0 | 0 | 113.3 | R49 | R49-T52 HydrophobicContact CB-CG2 3.86Å; R49-T52 WeakPolarHBondContact O-CG2 3.47Å; R49-T52 PolarHBondContact O-N 2.83Å; R49-T52 PolarHBondContact O-OG1 2.86Å |
| 53 | S | 96.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 50 Ų | 50 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | trans | -159.5 | 162.2 | 174.7 | 67.5 | 0 | 0 | 0 | 0 | 111 | G51 F55 S56 | G51-S53 VanDerWaalsContact C-N 3.34Å; S53-F55 PolarHBondContact O-N 3.06Å; S53-S56 WeakPolarHBondContact O-CB 3.44Å; S53-S56 PolarHBondContact O-N 3.23Å; S53-S56 VanDerWaalsContact O-N 3.16Å; S53-S56 PolarHBondContact O-OG 3.21Å; S53-S56 PolarHBondContact OG-N 3.29Å; S53-S56 VanDerWaalsContact OG-N 3.08Å | ||
| 54 | L | 97.5 | Very high | 97.8 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -40.1 | 171.3 | -66.6 | 176.1 | 0 | 0 | 0 | 111 | S56 W57 F113 A116 V120 | L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 3.34Å; L54-W57 PolarHBondContact O-N 3.45Å; L54-F113 HydrophobicContact CD2-CD1 3.97Å; L54-F113 HydrophobicContact CD2-CE1 4.09Å; L54-A116 HydrophobicContact CD1-CB 4.1Å; L54-V120 HydrophobicContact CD1-CG2 4.11Å |
| 55 | F | 97.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -37.1 | 175.9 | 177.7 | -95 | 0 | 0 | 0 | 113 | S53 W57 H58 P59 M114 S117 W191 | S53-F55 PolarHBondContact O-N 3.06Å; F55-W57 PolarHBondContact O-N 2.99Å; F55-H58 VanDerWaalsContact O-CB 3.28Å; F55-H58 WeakPolarHBondContact O-CB 3.29Å; F55-H58 PolarHBondContact O-N 3.2Å; F55-P59 HydrophobicContact CE1-CG 4.47Å; F55-P59 WeakPolarHBondContact O-CD 3.42Å; F55-M114 HydrophobicContact CD2-CE 3.71Å; F55-M114 HydrophobicContact CD2-SD 3.57Å; F55-M114 VanDerWaalsContact CD2-SD 3.57Å; F55-M114 HydrophobicContact CE2-CE 4.22Å; F55-M114 HydrophobicContact CE2-SD 3.63Å; F55-S117 PolarHBondContact N-OG 3.3Å; F55-W191 HydrophobicContact CD1-CG 4.35Å; F55-W191 HydrophobicContact CE1-CB 3.91Å; F55-W191 AromaticContact CE1-CD1 3.58Å; F55-W191 AromaticContact CE1-CD2 3.56Å; F55-W191 HydrophobicContact CE1-CD2 3.56Å; F55-W191 AromaticContact CE1-CE2 3.93Å; F55-W191 HydrophobicContact CE1-CE3 4.16Å; F55-W191 AromaticContact CE1-CG 3.36Å; F55-W191 HydrophobicContact CE1-CG 3.36Å; F55-W191 AromaticContact CE1-NE1 3.89Å; F55-W191 HydrophobicContact CZ-CB 4Å; F55-W191 HydrophobicContact CZ-CD2 4.08Å; F55-W191 HydrophobicContact CZ-CE3 4.32Å; F55-W191 AromaticContact CZ-CG 3.9Å; F55-W191 HydrophobicContact CZ-CG 3.9Å |
| 56 | S | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.5 | -177.6 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | S48 R49 G51 S53 L54 V60 | S48-S56 WeakPolarHBondContact CB-O 3.29Å; S48-S56 WeakPolarHBondContact O-CB 3.47Å; R49-S56 WeakPolarHBondContact O-CB 3.4Å; G51-S56 PolarHBondContact N-OG 2.92Å; G51-S56 VanDerWaalsContact N-OG 3.08Å; S53-S56 WeakPolarHBondContact O-CB 3.44Å; S53-S56 PolarHBondContact O-N 3.23Å; S53-S56 VanDerWaalsContact O-N 3.16Å; S53-S56 PolarHBondContact O-OG 3.21Å; S53-S56 PolarHBondContact OG-N 3.29Å; S53-S56 VanDerWaalsContact OG-N 3.08Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 3.34Å; S56-V60 VanDerWaalsContact O-CG2 3.27Å; S56-V60 WeakPolarHBondContact O-CG2 3.46Å |
| 57 | W | 98.5 | Very high | 97.9 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76 | -24.3 | 177.8 | -69.5 | 105.4 | 0 | 0 | 0 | 113.4 | P50 L54 F55 V60 C61 F113 | P50-W57 HydrophobicContact CB-CD2 4.22Å; P50-W57 HydrophobicContact CB-CE3 4.05Å; P50-W57 HydrophobicContact CB-CH2 3.78Å; P50-W57 HydrophobicContact CB-CZ2 3.93Å; P50-W57 HydrophobicContact CB-CZ3 3.83Å; L54-W57 PolarHBondContact O-N 3.45Å; F55-W57 PolarHBondContact O-N 2.99Å; W57-V60 PolarHBondContact O-N 3.15Å; W57-C61 VanDerWaalsContact O-CB 3.28Å; W57-C61 WeakPolarHBondContact O-CB 3.08Å; W57-C61 PolarHBondContact O-N 3.03Å; W57-C61 PolarHBondContact O-SG 3.11Å; W57-F113 HydrophobicContact CB-CB 3.95Å; W57-F113 HydrophobicContact CB-CD1 3.96Å; W57-F113 HydrophobicContact CB-CD2 3.49Å; W57-F113 VanDerWaalsContact CB-CD2 3.49Å; W57-F113 HydrophobicContact CB-CE1 4.34Å; W57-F113 HydrophobicContact CB-CE2 3.9Å; W57-F113 HydrophobicContact CB-CG 3.53Å; W57-F113 HydrophobicContact CB-CZ 4.31Å; W57-F113 AromaticContact CD1-CD1 3.94Å; W57-F113 AromaticContact CD1-CE1 3.75Å; W57-F113 HydrophobicContact CG-CD1 4.16Å; W57-F113 HydrophobicContact CG-CD2 4.1Å; W57-F113 HydrophobicContact CG-CE1 4.09Å; W57-F113 HydrophobicContact CG-CE2 4.02Å; W57-F113 HydrophobicContact CG-CG 4.17Å; W57-F113 HydrophobicContact CG-CZ 4.02Å |
| 58 | H | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -59.8 | 178.8 | 174.9 | 72.4 | 0 | 0 | 0 | 113 | F55 V60 C61 M62 G110 M114 H130 | F55-H58 VanDerWaalsContact O-CB 3.28Å; F55-H58 WeakPolarHBondContact O-CB 3.29Å; F55-H58 PolarHBondContact O-N 3.2Å; H58-V60 VanDerWaalsContact C-N 3.28Å; H58-V60 PolarHBondContact O-N 2.86Å; H58-C61 PolarHBondContact O-N 2.87Å; H58-M62 VanDerWaalsContact CE1-CG 3.48Å; H58-M62 WeakPolarHBondContact CE1-CG 3.44Å; H58-M62 VanDerWaalsContact O-CB 3.31Å; H58-M62 WeakPolarHBondContact O-CB 3.22Å; H58-M62 WeakPolarHBondContact O-CG 3.43Å; H58-M62 PolarHBondContact O-N 3.01Å; H58-G110 PolarHBondContact ND1-O 3.24Å; H58-M114 HydrophobicContact CB-CB 4.12Å; H58-M114 HydrophobicContact CB-SD 4.48Å; H58-H130 AromaticContact NE2-NE2 3.92Å |
| 59 | P | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -32.7 | 178.9 | 24 | -32.9 | 0 | 0 | 0 | 113 | I44 S48 F55 S63 W191 | I44-P59 HydrophobicContact CG2-CB 3.91Å; S48-P59 WeakPolarHBondContact OG-CB 3.44Å; S48-P59 WeakPolarHBondContact OG-CG 3.12Å; F55-P59 HydrophobicContact CE1-CG 4.47Å; F55-P59 WeakPolarHBondContact O-CD 3.42Å; P59-S63 WeakPolarHBondContact O-CB 3.47Å; P59-S63 PolarHBondContact O-N 3.33Å; P59-S63 PolarHBondContact O-OG 3.3Å; P59-W191 HydrophobicContact CB-CH2 4.09Å; P59-W191 HydrophobicContact CB-CZ3 4.05Å; P59-W191 HydrophobicContact CG-CH2 4.01Å; P59-W191 HydrophobicContact CG-CZ2 4.4Å; P59-W191 HydrophobicContact CG-CZ3 4.22Å |
| 60 | V | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -59.4 | 173.5 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | P50 S56 W57 H58 M62 S63 I64 | P50-V60 HydrophobicContact CB-CG2 4.21Å; P50-V60 HydrophobicContact CG-CG2 4.46Å; S56-V60 VanDerWaalsContact O-CG2 3.27Å; S56-V60 WeakPolarHBondContact O-CG2 3.46Å; W57-V60 PolarHBondContact O-N 3.15Å; H58-V60 VanDerWaalsContact C-N 3.28Å; H58-V60 PolarHBondContact O-N 2.86Å; V60-M62 VanDerWaalsContact C-N 3.33Å; V60-M62 PolarHBondContact O-N 3.46Å; V60-S63 PolarHBondContact O-N 3.03Å; V60-S63 PolarHBondContact O-OG 3.21Å; V60-I64 HydrophobicContact CG1-CD1 4.02Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.48Å |
| 61 | C | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 9% | 0.088 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | -178.2 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | W57 H58 I64 A65 A106 G110 | W57-C61 VanDerWaalsContact O-CB 3.28Å; W57-C61 WeakPolarHBondContact O-CB 3.08Å; W57-C61 PolarHBondContact O-N 3.03Å; W57-C61 PolarHBondContact O-SG 3.11Å; H58-C61 PolarHBondContact O-N 2.87Å; C61-I64 PolarHBondContact O-N 3.23Å; C61-A65 WeakPolarHBondContact O-CB 3.43Å; C61-A65 PolarHBondContact O-N 2.99Å; C61-A106 WeakPolarHBondContact CB-O 3.3Å; C61-G110 VanDerWaalsContact CB-CA 3.46Å |
| 62 | M | 98.7 | Very high | 98.2 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 16% | 0.158 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 178.3 | -69.8 | -60.9 | 167.2 | 0 | 0 | 112.6 | H58 V60 A65 Y66 A107 V111 | H58-M62 VanDerWaalsContact CE1-CG 3.48Å; H58-M62 WeakPolarHBondContact CE1-CG 3.44Å; H58-M62 VanDerWaalsContact O-CB 3.31Å; H58-M62 WeakPolarHBondContact O-CB 3.22Å; H58-M62 WeakPolarHBondContact O-CG 3.43Å; H58-M62 PolarHBondContact O-N 3.01Å; V60-M62 VanDerWaalsContact C-N 3.33Å; V60-M62 PolarHBondContact O-N 3.46Å; M62-A65 PolarHBondContact O-N 2.93Å; M62-Y66 PolarHBondContact O-N 3.45Å; M62-Y66 HydrophobicContact SD-CD2 3.91Å; M62-Y66 HydrophobicContact SD-CE2 3.79Å; M62-A107 VanDerWaalsContact CE-O 3.28Å; M62-A107 WeakPolarHBondContact CE-O 3.38Å; M62-V111 HydrophobicContact CE-CB 4.3Å; M62-V111 HydrophobicContact CE-CG2 3.35Å |
| 63 | S | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -68.9 | -36.9 | 175.2 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | T41 P59 V60 I67 L68 | T41-S63 PolarHBondContact OG1-O 3.48Å; P59-S63 WeakPolarHBondContact O-CB 3.47Å; P59-S63 PolarHBondContact O-N 3.33Å; P59-S63 PolarHBondContact O-OG 3.3Å; V60-S63 PolarHBondContact O-N 3.03Å; V60-S63 PolarHBondContact O-OG 3.21Å; S63-I67 WeakPolarHBondContact O-CA 3.32Å; S63-I67 VanDerWaalsContact O-CB 3.28Å; S63-I67 WeakPolarHBondContact O-CB 3.34Å; S63-I67 PolarHBondContact O-N 2.88Å; S63-I67 VanDerWaalsContact O-N 3.13Å; S63-L68 PolarHBondContact O-N 3.41Å |
| 64 | I | 98.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 24 Ų | 24 | 32% | 0.318 | 12% | 0.118 | S | C | . | . | I | π-helix | trans | -62.6 | -47.5 | 172.1 | -67.4 | 167.1 | 0 | 0 | 0 | 110.1 | T41 V60 C61 C69 A106 | T41-I64 HydrophobicContact CG2-CG1 3.83Å; V60-I64 HydrophobicContact CG1-CD1 4.02Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.48Å; C61-I64 PolarHBondContact O-N 3.23Å; I64-C69 WeakPolarHBondContact O-CB 3.46Å; I64-C69 PolarHBondContact O-N 2.81Å; I64-C69 PolarHBondContact O-SG 3.28Å; I64-C69 VanDerWaalsContact O-SG 3.36Å; I64-A106 HydrophobicContact CG2-CB 4.28Å |
| 65 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -65.1 | -59.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C61 M62 L70 V103 A106 A107 | C61-A65 WeakPolarHBondContact O-CB 3.43Å; C61-A65 PolarHBondContact O-N 2.99Å; M62-A65 PolarHBondContact O-N 2.93Å; A65-L70 WeakPolarHBondContact O-CB 3.3Å; A65-L70 PolarHBondContact O-N 3.45Å; A65-V103 HydrophobicContact CB-CG1 4.29Å; A65-A106 HydrophobicContact CB-CB 3.89Å; A65-A107 HydrophobicContact CB-CB 4.13Å |
| 66 | Y | 98.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 18.6 Ų | 18.6 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -97.5 | -24.3 | -163.6 | -71.3 | -68.4 | 0 | 0 | 0 | 114.5 | M62 L70 V103 A107 T137 T141 A179 | M62-Y66 PolarHBondContact O-N 3.45Å; M62-Y66 HydrophobicContact SD-CD2 3.91Å; M62-Y66 HydrophobicContact SD-CE2 3.79Å; Y66-L70 HydrophobicContact CD1-CD2 3.88Å; Y66-L70 HydrophobicContact CE1-CD2 4.49Å; Y66-V103 HydrophobicContact CE1-CG1 4.31Å; Y66-A107 HydrophobicContact CE2-CB 3.77Å; Y66-T137 HydrophobicContact CD1-CG2 4.28Å; Y66-T137 HydrophobicContact CE1-CG2 3.78Å; Y66-T141 HydrophobicContact CE1-CG2 4.31Å; Y66-T141 WeakPolarHBondContact CE1-OG1 3.39Å; Y66-T141 PolarHBondContact OH-OG1 3.25Å; Y66-A179 HydrophobicContact CD1-CB 3.71Å; Y66-A179 HydrophobicContact CE1-CB 4.37Å; Y66-A179 HydrophobicContact CG-CB 4.36Å |
| 67 | I | 98.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 20.6 Ų | 20.6 | 8% | 0.077 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -92.6 | -51 | 177.2 | -58.5 | 174.6 | 0 | 0 | 0 | 109.9 | L40 I44 S63 T71 V183 | L40-I67 HydrophobicContact CB-CG2 3.92Å; L40-I67 HydrophobicContact CD1-CG2 4.3Å; I44-I67 HydrophobicContact CD1-CD1 3.47Å; I44-I67 VanDerWaalsContact CD1-CD1 3.47Å; S63-I67 WeakPolarHBondContact O-CA 3.32Å; S63-I67 VanDerWaalsContact O-CB 3.28Å; S63-I67 WeakPolarHBondContact O-CB 3.34Å; S63-I67 PolarHBondContact O-N 2.88Å; S63-I67 VanDerWaalsContact O-N 3.13Å; I67-T71 WeakPolarHBondContact O-CB 3.44Å; I67-T71 PolarHBondContact O-OG1 3.13Å; I67-V183 HydrophobicContact CD1-CG1 3.88Å; I67-V183 HydrophobicContact CD1-CG2 4.34Å; I67-V183 HydrophobicContact CG1-CG1 4.2Å; I67-V183 HydrophobicContact CG1-CG2 3.98Å |
| 68 | L | 98.6 | Very high | 97 | Very high | 44 Ų | 44 | 16.3 Ų | 16.3 | 23% | 0.23 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -83.4 | -72.7 | -177.8 | -178.6 | 62.9 | 0 | 0 | 0 | 112.4 | A37 V38 T41 S63 L70 T71 E72 | A37-L68 HydrophobicContact CB-CD1 4.49Å; V38-L68 HydrophobicContact CG2-CD1 3.71Å; T41-L68 HydrophobicContact CG2-CB 4.21Å; T41-L68 HydrophobicContact CG2-CD2 4.28Å; T41-L68 WeakPolarHBondContact OG1-CB 3.4Å; S63-L68 PolarHBondContact O-N 3.41Å; L68-L70 PolarHBondContact O-N 3.11Å; L68-T71 PolarHBondContact O-N 2.82Å; L68-E72 HydrophobicContact CD1-CG 3.86Å; L68-E72 HydrophobicContact CG-CG 4.49Å; L68-E72 WeakPolarHBondContact O-CG 3.29Å; L68-E72 PolarHBondContact O-N 2.75Å |
| 69 | C | 98.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 11% | 0.108 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -61.1 | -44.1 | -168.4 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | I64 T71 E72 G73 I99 V103 | I64-C69 WeakPolarHBondContact O-CB 3.46Å; I64-C69 PolarHBondContact O-N 2.81Å; I64-C69 PolarHBondContact O-SG 3.28Å; I64-C69 VanDerWaalsContact O-SG 3.36Å; C69-T71 VanDerWaalsContact C-N 3.35Å; C69-T71 PolarHBondContact O-N 3.41Å; C69-E72 PolarHBondContact O-N 3.48Å; C69-G73 PolarHBondContact O-N 3.03Å; C69-I99 HydrophobicContact CB-CG2 3.94Å; C69-I99 WeakPolarHBondContact O-CG2 3.45Å; C69-V103 HydrophobicContact CB-CG2 3.53Å |
| 70 | L | 98.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 179.7 | -171.6 | 61.2 | 0 | 0 | 0 | 112 | A65 Y66 L68 I74 V103 Y176 A179 | A65-L70 WeakPolarHBondContact O-CB 3.3Å; A65-L70 PolarHBondContact O-N 3.45Å; Y66-L70 HydrophobicContact CD1-CD2 3.88Å; Y66-L70 HydrophobicContact CE1-CD2 4.49Å; L68-L70 PolarHBondContact O-N 3.11Å; L70-I74 HydrophobicContact CD1-CD1 4.39Å; L70-I74 HydrophobicContact CG-CD1 4.42Å; L70-I74 WeakPolarHBondContact O-CG1 3.36Å; L70-I74 PolarHBondContact O-N 2.87Å; L70-V103 HydrophobicContact CB-CG2 4.19Å; L70-Y176 HydrophobicContact CD2-CD2 3.83Å; L70-Y176 HydrophobicContact CD2-CE2 4.38Å; L70-Y176 HydrophobicContact CG-CD2 3.8Å; L70-Y176 HydrophobicContact CG-CE2 4.18Å; L70-A179 HydrophobicContact CD2-CB 4.02Å |
| 71 | T | 98.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -52.1 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | A37 I67 L68 C69 G73 I74 L75 Y176 P211 I215 | A37-T71 HydrophobicContact CB-CG2 4.02Å; I67-T71 WeakPolarHBondContact O-CB 3.44Å; I67-T71 PolarHBondContact O-OG1 3.13Å; L68-T71 PolarHBondContact O-N 2.82Å; C69-T71 VanDerWaalsContact C-N 3.35Å; C69-T71 PolarHBondContact O-N 3.41Å; T71-G73 VanDerWaalsContact C-N 3.3Å; T71-G73 PolarHBondContact O-N 3.45Å; T71-I74 PolarHBondContact O-N 2.84Å; T71-I74 VanDerWaalsContact O-N 3.16Å; T71-L75 HydrophobicContact CG2-CD1 3.74Å; T71-L75 HydrophobicContact CG2-CG 4.22Å; T71-L75 WeakPolarHBondContact O-CB 3.03Å; T71-L75 WeakPolarHBondContact O-CG 3.41Å; T71-L75 PolarHBondContact O-N 2.97Å; T71-Y176 WeakPolarHBondContact OG1-CE2 3.44Å; T71-Y176 PolarHBondContact OG1-OH 2.96Å; T71-P211 HydrophobicContact CG2-CB 4.1Å; T71-I215 HydrophobicContact CG2-CD1 4.07Å |
| 72 | E | 97.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.4 | -67.8 | -53.9 | 136.5 | 0 | 0 | 112.2 | H34 L68 C69 I74 L75 L76 | H34-E72 IonicContact CE1-OE1 3.75Å; H34-E72 IonicContact CE1-OE2 2.75Å; H34-E72 PolarHBondContact CE1-OE2 3.02Å; H34-E72 IonicContact CG-OE1 2.67Å; H34-E72 IonicContact ND1-OE1 3.16Å; H34-E72 PolarHBondContact ND1-OE1 3.27Å; H34-E72 IonicContact ND1-OE2 3.13Å; H34-E72 PolarHBondContact ND1-OE2 3.29Å; L68-E72 HydrophobicContact CD1-CG 3.86Å; L68-E72 HydrophobicContact CG-CG 4.49Å; L68-E72 WeakPolarHBondContact O-CG 3.29Å; L68-E72 PolarHBondContact O-N 2.75Å; C69-E72 PolarHBondContact O-N 3.48Å; E72-I74 VanDerWaalsContact C-N 3.25Å; E72-I74 PolarHBondContact O-N 3.16Å; E72-L75 PolarHBondContact O-N 3.45Å; E72-L76 WeakPolarHBondContact O-CB 3.42Å; E72-L76 PolarHBondContact O-N 2.99Å |
| 73 | G | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -33.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | C69 T71 H96 | C69-G73 PolarHBondContact O-N 3.03Å; T71-G73 VanDerWaalsContact C-N 3.3Å; T71-G73 PolarHBondContact O-N 3.45Å; G73-H96 PolarHBondContact O-ND1 3.23Å |
| 74 | I | 96.5 | Very high | 89.3 | Confident | 20 Ų | 20 | 28.5 Ų | 28.5 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -85.9 | -44.7 | 178.2 | -63.8 | 169.7 | 0 | 0 | 0 | 111.2 | L70 T71 E72 L76 F77 Y176 I215 Q218 I219 | L70-I74 HydrophobicContact CD1-CD1 4.39Å; L70-I74 HydrophobicContact CG-CD1 4.42Å; L70-I74 WeakPolarHBondContact O-CG1 3.36Å; L70-I74 PolarHBondContact O-N 2.87Å; T71-I74 PolarHBondContact O-N 2.84Å; T71-I74 VanDerWaalsContact O-N 3.16Å; E72-I74 VanDerWaalsContact C-N 3.25Å; E72-I74 PolarHBondContact O-N 3.16Å; I74-L76 PolarHBondContact O-N 3.23Å; I74-F77 PolarHBondContact O-N 3.46Å; I74-Y176 HydrophobicContact CD1-CD2 3.46Å; I74-Y176 VanDerWaalsContact CD1-CD2 3.46Å; I74-Y176 HydrophobicContact CD1-CE2 4.24Å; I74-Y176 HydrophobicContact CD1-CG 4.03Å; I74-I215 HydrophobicContact CB-CD1 4.14Å; I74-I215 HydrophobicContact CB-CG1 4.44Å; I74-I215 HydrophobicContact CD1-CD1 4.36Å; I74-I215 HydrophobicContact CD1-CG2 4.4Å; I74-I215 HydrophobicContact CG2-CB 4.47Å; I74-I215 HydrophobicContact CG2-CD1 4.17Å; I74-I215 HydrophobicContact CG2-CG1 3.96Å; I74-I215 HydrophobicContact CG2-CG2 3.78Å; I74-Q218 PolarHBondContact O-NE2 3.17Å; I74-I219 HydrophobicContact CG2-CD1 4.29Å |
| 75 | L | 95.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.7 | -16 | -179.7 | -69.1 | -175.3 | 0 | 0 | 0 | 113.3 | A33 H34 T71 E72 F77 S78 V214 I215 | A33-L75 HydrophobicContact CB-CD1 3.8Å; H34-L75 VanDerWaalsContact CE1-CB 3.49Å; H34-L75 WeakPolarHBondContact CE1-CB 3.45Å; T71-L75 HydrophobicContact CG2-CD1 3.74Å; T71-L75 HydrophobicContact CG2-CG 4.22Å; T71-L75 WeakPolarHBondContact O-CB 3.03Å; T71-L75 WeakPolarHBondContact O-CG 3.41Å; T71-L75 PolarHBondContact O-N 2.97Å; E72-L75 PolarHBondContact O-N 3.45Å; L75-F77 PolarHBondContact O-N 2.92Å; L75-S78 WeakPolarHBondContact O-CB 3.35Å; L75-S78 PolarHBondContact O-N 2.9Å; L75-V214 HydrophobicContact CD2-CG1 4.11Å; L75-I215 HydrophobicContact CD2-CD1 4.36Å; L75-I215 HydrophobicContact CD2-CG1 3.62Å; L75-I215 HydrophobicContact CG-CD1 4.28Å; L75-I215 HydrophobicContact CG-CG1 4.08Å |
| 76 | L | 93.3 | Very high | 86 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -31.4 | 169.9 | -177.8 | 61.2 | 0 | 0 | 0 | 113.4 | E72 I74 T82 F84 K92 L95 H96 | E72-L76 WeakPolarHBondContact O-CB 3.42Å; E72-L76 PolarHBondContact O-N 2.99Å; I74-L76 PolarHBondContact O-N 3.23Å; L76-T82 HydrophobicContact CD1-CG2 4.33Å; L76-F84 HydrophobicContact CD1-CB 4.05Å; L76-F84 HydrophobicContact CD1-CD2 3.69Å; L76-F84 HydrophobicContact CD1-CG 4.19Å; L76-K92 HydrophobicContact CD1-CG 4.18Å; L76-K92 HydrophobicContact CD2-CB 4.19Å; L76-K92 WeakPolarHBondContact CD2-O 3.36Å; L76-K92 HydrophobicContact CG-CB 4.06Å; L76-K92 HydrophobicContact CG-CG 4.2Å; L76-K92 WeakPolarHBondContact O-CD 3.29Å; L76-K92 WeakPolarHBondContact O-CE 3.47Å; L76-K92 PolarHBondContact O-NZ 3.27Å; L76-L95 HydrophobicContact CD1-CD2 3.77Å; L76-L95 HydrophobicContact CD2-CB 3.83Å; L76-L95 HydrophobicContact CD2-CD2 3.87Å; L76-L95 HydrophobicContact CD2-CG 3.83Å; L76-H96 HydrophobicContact CD2-CB 4.14Å |
| 77 | F | 91.2 | Very high | 84.6 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 19% | 0.193 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 4.1 | 178 | -61.9 | -65.4 | 0 | 0 | 0 | 114.4 | I74 L75 R89 K92 V93 H96 | I74-F77 PolarHBondContact O-N 3.46Å; L75-F77 PolarHBondContact O-N 2.92Å; F77-R89 VanDerWaalsContact CD1-NH1 3.27Å; F77-R89 VanDerWaalsContact CE1-CZ 3.46Å; F77-K92 HydrophobicContact CD1-CB 4.09Å; F77-K92 HydrophobicContact CD1-CD 4.37Å; F77-K92 HydrophobicContact CE1-CB 3.63Å; F77-K92 HydrophobicContact CZ-CB 4.43Å; F77-V93 HydrophobicContact CE1-CG2 4.02Å; F77-V93 HydrophobicContact CZ-CG2 4Å; F77-H96 HydrophobicContact CE2-CB 3.7Å; F77-H96 AromaticContact CE2-CG 3.66Å; F77-H96 AromaticContact CE2-ND1 3.67Å; F77-H96 HydrophobicContact CZ-CB 3.81Å |
| 78 | S | 87.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | trans | -58.1 | 134.4 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | L75 E80 Q218 | L75-S78 WeakPolarHBondContact O-CB 3.35Å; L75-S78 PolarHBondContact O-N 2.9Å; S78-E80 VanDerWaalsContact C-N 3.26Å; S78-E80 PolarHBondContact OG-N 3.3Å; S78-Q218 VanDerWaalsContact CB-OE1 3.26Å | ||
| 79 | P | 78.9 | Confident | 83.3 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20.5 | 173.4 | 30.1 | -33.2 | 0 | 0 | 0 | 112.5 | G81 | P79-G81 VanDerWaalsContact C-N 3.3Å; P79-G81 PolarHBondContact O-N 3.16Å |
| 80 | E | 78.8 | Confident | 82.8 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 17% | 0.173 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0 | -171.8 | -55.4 | -50.6 | 150.4 | 0 | 0 | 114.2 | R26 R27 V30 S78 | R26-E80 HydrophobicContact CB-CG 4.02Å; R26-E80 IonicContact CZ-OE1 3.66Å; R26-E80 IonicContact NH1-OE1 3.37Å; R26-E80 PolarHBondContact NH1-OE1 2.97Å; R26-E80 IonicContact NH2-OE1 2.84Å; R26-E80 PolarHBondContact NH2-OE1 3.36Å; R27-E80 HydrophobicContact CG-CB 3.95Å; R27-E80 IonicContact NE-OE2 3.89Å; V30-E80 HydrophobicContact CG2-CB 4.22Å; S78-E80 VanDerWaalsContact C-N 3.26Å; S78-E80 PolarHBondContact OG-N 3.3Å |
| 81 | G | 66.4 | Low | 82.3 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | trans | 128.8 | 152.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P79 | P79-G81 VanDerWaalsContact C-N 3.3Å; P79-G81 PolarHBondContact O-N 3.16Å | ||
| 82 | T | 69.7 | Low | 82 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | trans | -141.8 | 142.9 | 171 | 171.3 | 0 | 0 | 0 | 0 | 105.9 | L76 F84 | L76-T82 HydrophobicContact CD1-CG2 4.33Å; T82-F84 WeakPolarHBondContact CG2-O 3.45Å; T82-F84 PolarHBondContact O-N 3.1Å; T82-F84 VanDerWaalsContact O-N 3.09Å; T82-F84 VanDerWaalsContact OG1-CD2 3.3Å; T82-F84 WeakPolarHBondContact OG1-CD2 3.09Å; T82-F84 PolarHBondContact OG1-N 3.37Å | ||
| 83 | P | 65.9 | Low | 81.8 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -62.5 | -15.4 | 177.8 | 23.7 | -32.8 | 0 | 0 | 0 | 112.3 | ||
| 84 | F | 68.1 | Low | 81.6 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 31% | 0.307 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -85.1 | 125.6 | 178.6 | -54 | -74.3 | 0 | 0 | 0 | 111.9 | L76 T82 F86 L95 I99 | L76-F84 HydrophobicContact CD1-CB 4.05Å; L76-F84 HydrophobicContact CD1-CD2 3.69Å; L76-F84 HydrophobicContact CD1-CG 4.19Å; T82-F84 WeakPolarHBondContact CG2-O 3.45Å; T82-F84 PolarHBondContact O-N 3.1Å; T82-F84 VanDerWaalsContact O-N 3.09Å; T82-F84 VanDerWaalsContact OG1-CD2 3.3Å; T82-F84 WeakPolarHBondContact OG1-CD2 3.09Å; T82-F84 PolarHBondContact OG1-N 3.37Å; F84-F86 HydrophobicContact CB-CD2 4Å; F84-F86 PolarHBondContact O-N 3.09Å; F84-L95 HydrophobicContact CB-CD2 4Å; F84-L95 HydrophobicContact CD1-CD2 3.83Å; F84-L95 HydrophobicContact CD2-CD2 3.97Å; F84-L95 HydrophobicContact CE1-CD2 4.3Å; F84-L95 HydrophobicContact CE2-CD2 4.45Å; F84-L95 HydrophobicContact CG-CD2 3.65Å; F84-I99 HydrophobicContact CZ-CD1 4.5Å |
| 85 | C | 62.6 | Low | 81.4 | Confident | 130 Ų | 130 | 73.9 Ų | 73.9 | 88% | 0.878 | 38% | 0.381 | S | S | * | . | trans | -70.5 | 24.2 | -178 | -62.8 | 0 | 0 | 0 | 0 | 115.6 | K87 | C85-K87 PolarHBondContact O-N 3.36Š| ||
| 86 | F | 67.1 | Low | 81.4 | Confident | 102 Ų | 102 | 75 Ų | 75 | 45% | 0.447 | 39% | 0.387 | S | S | . | . | trans | -86.6 | 103.3 | 180 | -68.8 | -71 | 0 | 0 | 0 | 111.9 | F84 K92 L95 | F84-F86 HydrophobicContact CB-CD2 4Å; F84-F86 PolarHBondContact O-N 3.09Å; F86-K92 HydrophobicContact CB-CG 4.16Å; F86-K92 WeakPolarHBondContact O-CE 3.16Å; F86-L95 HydrophobicContact CD2-CD2 3.85Å; F86-L95 HydrophobicContact CE2-CD2 3.86Å | ||
| 87 | K | 68.3 | Low | 81.5 | Confident | 212 Ų | 212 | 79.4 Ų | 79.4 | 92% | 0.922 | 40% | 0.403 | S | S | * | . | trans | -73.7 | -33.9 | 172.2 | -65.7 | -172.4 | 178.6 | -179.5 | 0 | 112.8 | C85 | C85-K87 PolarHBondContact O-N 3.36Š| ||
| 88 | A | 83.9 | Confident | 81.8 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 52% | 0.521 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -80.1 | 129.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K90 G91 K92 | A88-K90 VanDerWaalsContact C-N 3.26Å; A88-K90 PolarHBondContact O-N 3.05Å; A88-G91 PolarHBondContact O-N 3.22Å; A88-K92 PolarHBondContact O-N 2.64Å; A88-K92 VanDerWaalsContact O-N 3.16Å |
| 89 | R | 86.1 | Confident | 82.2 | Confident | 145 Ų | 145 | 83.7 Ų | 83.7 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55.4 | -38.7 | 177.2 | -175.7 | 68.1 | -174.8 | -160 | 7.3 | 112.9 | F77 G91 K92 V93 | F77-R89 VanDerWaalsContact CD1-NH1 3.27Å; F77-R89 VanDerWaalsContact CE1-CZ 3.46Å; R89-G91 VanDerWaalsContact C-N 3.32Å; R89-G91 PolarHBondContact O-N 3.3Å; R89-K92 PolarHBondContact O-N 3.16Å; R89-V93 WeakPolarHBondContact O-CG2 3.44Å; R89-V93 PolarHBondContact O-N 2.81Å |
| 90 | K | 87.9 | Confident | 83.1 | Confident | 173 Ų | 173 | 80.7 Ų | 80.7 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 176.8 | -69.6 | -176.3 | -179.8 | 178.5 | 0 | 112 | A88 V93 R94 | A88-K90 VanDerWaalsContact C-N 3.26Å; A88-K90 PolarHBondContact O-N 3.05Å; K90-V93 PolarHBondContact O-N 2.9Å; K90-R94 PolarHBondContact O-N 3.28Å; K90-R94 VanDerWaalsContact O-N 3.08Å |
| 91 | G | 89.1 | Confident | 84 | Confident | 18 Ų | 18 | 81.6 Ų | 81.6 | 19% | 0.186 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A88 R89 V93 R94 L95 | A88-G91 PolarHBondContact O-N 3.22Å; R89-G91 VanDerWaalsContact C-N 3.32Å; R89-G91 PolarHBondContact O-N 3.3Å; G91-V93 VanDerWaalsContact C-N 3.29Å; G91-V93 PolarHBondContact O-N 3.35Å; G91-R94 PolarHBondContact O-N 3.25Å; G91-R94 VanDerWaalsContact O-N 3.16Å; G91-L95 PolarHBondContact O-N 2.72Å |
| 92 | K | 91.6 | Very high | 85.5 | Confident | 32 Ų | 32 | 82.9 Ų | 82.9 | 14% | 0.139 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.2 | -41.1 | 174.4 | -66 | -172 | 170.3 | -152.3 | 0 | 112.5 | L76 F77 F86 A88 R89 L95 H96 | L76-K92 HydrophobicContact CD1-CG 4.18Å; L76-K92 HydrophobicContact CD2-CB 4.19Å; L76-K92 WeakPolarHBondContact CD2-O 3.36Å; L76-K92 HydrophobicContact CG-CB 4.06Å; L76-K92 HydrophobicContact CG-CG 4.2Å; L76-K92 WeakPolarHBondContact O-CD 3.29Å; L76-K92 WeakPolarHBondContact O-CE 3.47Å; L76-K92 PolarHBondContact O-NZ 3.27Å; F77-K92 HydrophobicContact CD1-CB 4.09Å; F77-K92 HydrophobicContact CD1-CD 4.37Å; F77-K92 HydrophobicContact CE1-CB 3.63Å; F77-K92 HydrophobicContact CZ-CB 4.43Å; F86-K92 HydrophobicContact CB-CG 4.16Å; F86-K92 WeakPolarHBondContact O-CE 3.16Å; A88-K92 PolarHBondContact O-N 2.64Å; A88-K92 VanDerWaalsContact O-N 3.16Å; R89-K92 PolarHBondContact O-N 3.16Å; K92-L95 PolarHBondContact O-N 3.43Å; K92-H96 WeakPolarHBondContact O-CB 3.38Å; K92-H96 PolarHBondContact O-N 3.45Å |
| 93 | V | 92.3 | Very high | 86.9 | Confident | 53 Ų | 53 | 81.5 Ų | 81.5 | 32% | 0.321 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | F77 R89 K90 G91 L95 H96 W97 | F77-V93 HydrophobicContact CE1-CG2 4.02Å; F77-V93 HydrophobicContact CZ-CG2 4Å; R89-V93 WeakPolarHBondContact O-CG2 3.44Å; R89-V93 PolarHBondContact O-N 2.81Å; K90-V93 PolarHBondContact O-N 2.9Å; G91-V93 VanDerWaalsContact C-N 3.29Å; G91-V93 PolarHBondContact O-N 3.35Å; V93-L95 VanDerWaalsContact C-N 3.34Å; V93-L95 PolarHBondContact O-N 2.85Å; V93-H96 WeakPolarHBondContact O-CB 3.34Å; V93-H96 PolarHBondContact O-N 3.17Å; V93-W97 PolarHBondContact O-N 3.39Å |
| 94 | R | 92.2 | Very high | 88.5 | Confident | 196 Ų | 196 | 80.3 Ų | 80.3 | 74% | 0.74 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.1 | -43.8 | 177.9 | -70.4 | 177.3 | -179.1 | 173.8 | -1.9 | 112.4 | K90 G91 W97 F98 | K90-R94 PolarHBondContact O-N 3.28Å; K90-R94 VanDerWaalsContact O-N 3.08Å; G91-R94 PolarHBondContact O-N 3.25Å; G91-R94 VanDerWaalsContact O-N 3.16Å; R94-W97 PolarHBondContact O-N 2.91Å; R94-F98 PolarHBondContact O-N 2.92Å |
| 95 | L | 93.7 | Very high | 89.9 | Confident | 29 Ų | 29 | 82.2 Ų | 82.2 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 177.4 | 177.9 | 63.4 | 0 | 0 | 0 | 111.7 | L76 F84 F86 G91 K92 V93 W97 F98 I99 | L76-L95 HydrophobicContact CD1-CD2 3.77Å; L76-L95 HydrophobicContact CD2-CB 3.83Å; L76-L95 HydrophobicContact CD2-CD2 3.87Å; L76-L95 HydrophobicContact CD2-CG 3.83Å; F84-L95 HydrophobicContact CB-CD2 4Å; F84-L95 HydrophobicContact CD1-CD2 3.83Å; F84-L95 HydrophobicContact CD2-CD2 3.97Å; F84-L95 HydrophobicContact CE1-CD2 4.3Å; F84-L95 HydrophobicContact CE2-CD2 4.45Å; F84-L95 HydrophobicContact CG-CD2 3.65Å; F86-L95 HydrophobicContact CD2-CD2 3.85Å; F86-L95 HydrophobicContact CE2-CD2 3.86Å; G91-L95 PolarHBondContact O-N 2.72Å; K92-L95 PolarHBondContact O-N 3.43Å; V93-L95 VanDerWaalsContact C-N 3.34Å; V93-L95 PolarHBondContact O-N 2.85Å; L95-W97 VanDerWaalsContact C-N 3.32Å; L95-W97 PolarHBondContact O-N 3.48Å; L95-F98 HydrophobicContact CD1-CD1 4.19Å; L95-F98 PolarHBondContact O-N 2.89Å; L95-I99 HydrophobicContact CD1-CD1 3.94Å; L95-I99 HydrophobicContact CD1-CG1 4.04Å; L95-I99 HydrophobicContact CD2-CD1 4.39Å; L95-I99 HydrophobicContact CG-CD1 3.78Å; L95-I99 HydrophobicContact CG-CG1 4.31Å; L95-I99 WeakPolarHBondContact O-CB 3.48Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.36Å; L95-I99 PolarHBondContact O-N 3.32Å |
| 96 | H | 95.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 76.8 Ų | 76.8 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.3 | -49.2 | 172.8 | 173.6 | 82.6 | 0 | 0 | 0 | 111 | G73 L76 F77 K92 V93 F98 I99 Q100 | G73-H96 PolarHBondContact O-ND1 3.23Å; L76-H96 HydrophobicContact CD2-CB 4.14Å; F77-H96 HydrophobicContact CE2-CB 3.7Å; F77-H96 AromaticContact CE2-CG 3.66Å; F77-H96 AromaticContact CE2-ND1 3.67Å; F77-H96 HydrophobicContact CZ-CB 3.81Å; K92-H96 WeakPolarHBondContact O-CB 3.38Å; K92-H96 PolarHBondContact O-N 3.45Å; V93-H96 WeakPolarHBondContact O-CB 3.34Å; V93-H96 PolarHBondContact O-N 3.17Å; H96-F98 PolarHBondContact O-N 3.28Å; H96-I99 PolarHBondContact O-N 3.35Å; H96-Q100 PolarHBondContact CE1-NE2 3.21Å; H96-Q100 VanDerWaalsContact CE1-NE2 3.25Å; H96-Q100 VanDerWaalsContact O-CG 3.31Å; H96-Q100 WeakPolarHBondContact O-CG 3.44Å; H96-Q100 PolarHBondContact O-N 2.94Å |
| 97 | W | 95.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 71.9 Ų | 71.9 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 178 | -81.2 | 61.6 | 0 | 0 | 0 | 112.8 | V93 R94 L95 I99 Q100 A101 G148 I149 L152 | V93-W97 PolarHBondContact O-N 3.39Å; R94-W97 PolarHBondContact O-N 2.91Å; L95-W97 VanDerWaalsContact C-N 3.32Å; L95-W97 PolarHBondContact O-N 3.48Å; W97-I99 PolarHBondContact O-N 2.92Å; W97-Q100 PolarHBondContact O-N 3.05Å; W97-A101 PolarHBondContact O-N 2.93Å; W97-G148 WeakPolarHBondContact CZ2-O 3.48Å; W97-I149 HydrophobicContact CH2-CB 4.06Å; W97-I149 HydrophobicContact CH2-CG1 3.65Å; W97-I149 HydrophobicContact CH2-CG2 4.43Å; W97-I149 HydrophobicContact CZ3-CG1 3.67Å; W97-L152 HydrophobicContact CH2-CD1 3.45Å; W97-L152 VanDerWaalsContact CH2-CD1 3.45Å; W97-L152 HydrophobicContact CH2-CG 3.92Å; W97-L152 HydrophobicContact CZ2-CD1 3.88Å; W97-L152 HydrophobicContact CZ2-CD2 4.13Å; W97-L152 HydrophobicContact CZ2-CG 3.89Å; W97-L152 HydrophobicContact CZ3-CD1 4.37Å |
| 98 | F | 96.1 | Very high | 94.6 | Very high | 126 Ų | 126 | 64.4 Ų | 64.4 | 55% | 0.553 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 175.9 | 175 | -104.3 | 0 | 0 | 0 | 111.6 | R94 L95 H96 Q100 A101 L102 | R94-F98 PolarHBondContact O-N 2.92Å; L95-F98 HydrophobicContact CD1-CD1 4.19Å; L95-F98 PolarHBondContact O-N 2.89Å; H96-F98 PolarHBondContact O-N 3.28Å; F98-Q100 PolarHBondContact O-N 3.38Å; F98-A101 WeakPolarHBondContact O-CB 3.39Å; F98-A101 PolarHBondContact O-N 2.91Å; F98-L102 HydrophobicContact CD1-CD1 4.17Å; F98-L102 HydrophobicContact CE1-CD1 3.59Å; F98-L102 HydrophobicContact CE1-CG 4.26Å; F98-L102 HydrophobicContact CZ-CD1 3.92Å; F98-L102 HydrophobicContact CZ-CD2 4.33Å; F98-L102 HydrophobicContact CZ-CG 4.26Å; F98-L102 PolarHBondContact O-N 3.5Å; F98-L102 VanDerWaalsContact O-N 3.07Å |
| 99 | I | 97.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.6 | -67.7 | 170.3 | 0 | 0 | 0 | 111 | C69 F84 L95 H96 W97 A101 L102 V103 | C69-I99 HydrophobicContact CB-CG2 3.94Å; C69-I99 WeakPolarHBondContact O-CG2 3.45Å; F84-I99 HydrophobicContact CZ-CD1 4.5Å; L95-I99 HydrophobicContact CD1-CD1 3.94Å; L95-I99 HydrophobicContact CD1-CG1 4.04Å; L95-I99 HydrophobicContact CD2-CD1 4.39Å; L95-I99 HydrophobicContact CG-CD1 3.78Å; L95-I99 HydrophobicContact CG-CG1 4.31Å; L95-I99 WeakPolarHBondContact O-CB 3.48Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.36Å; L95-I99 PolarHBondContact O-N 3.32Å; H96-I99 PolarHBondContact O-N 3.35Å; W97-I99 PolarHBondContact O-N 2.92Å; I99-A101 VanDerWaalsContact C-N 3.3Å; I99-A101 PolarHBondContact O-N 3.44Å; I99-L102 WeakPolarHBondContact O-CA 3.31Å; I99-L102 WeakPolarHBondContact O-CB 3.49Å; I99-L102 PolarHBondContact O-N 2.95Å; I99-L102 VanDerWaalsContact O-N 3.09Å; I99-V103 WeakPolarHBondContact O-CG2 3.37Å; I99-V103 PolarHBondContact O-N 3.19Å |
| 100 | Q | 97.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -33.4 | 176.8 | -63.8 | -47.8 | -32.5 | 0 | 0 | 112.6 | H96 W97 F98 L102 V103 I104 | H96-Q100 PolarHBondContact CE1-NE2 3.21Å; H96-Q100 VanDerWaalsContact CE1-NE2 3.25Å; H96-Q100 VanDerWaalsContact O-CG 3.31Å; H96-Q100 WeakPolarHBondContact O-CG 3.44Å; H96-Q100 PolarHBondContact O-N 2.94Å; W97-Q100 PolarHBondContact O-N 3.05Å; F98-Q100 PolarHBondContact O-N 3.38Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; Q100-V103 WeakPolarHBondContact O-CB 3.3Å; Q100-V103 PolarHBondContact O-N 3.42Å; Q100-I104 PolarHBondContact O-N 3.45Å; Q100-I104 VanDerWaalsContact O-N 3.13Å |
| 101 | A | 97.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W97 F98 I99 I104 L105 | W97-A101 PolarHBondContact O-N 2.93Å; F98-A101 WeakPolarHBondContact O-CB 3.39Å; F98-A101 PolarHBondContact O-N 2.91Å; I99-A101 VanDerWaalsContact C-N 3.3Å; I99-A101 PolarHBondContact O-N 3.44Å; A101-I104 PolarHBondContact O-N 2.9Å; A101-L105 WeakPolarHBondContact O-CB 3.36Å; A101-L105 PolarHBondContact O-N 3.37Å |
| 102 | L | 98.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 173.1 | -64.3 | 179.2 | 0 | 0 | 0 | 112.4 | F98 I99 Q100 L105 A106 | F98-L102 HydrophobicContact CD1-CD1 4.17Å; F98-L102 HydrophobicContact CE1-CD1 3.59Å; F98-L102 HydrophobicContact CE1-CG 4.26Å; F98-L102 HydrophobicContact CZ-CD1 3.92Å; F98-L102 HydrophobicContact CZ-CD2 4.33Å; F98-L102 HydrophobicContact CZ-CG 4.26Å; F98-L102 PolarHBondContact O-N 3.5Å; F98-L102 VanDerWaalsContact O-N 3.07Å; I99-L102 WeakPolarHBondContact O-CA 3.31Å; I99-L102 WeakPolarHBondContact O-CB 3.49Å; I99-L102 PolarHBondContact O-N 2.95Å; I99-L102 VanDerWaalsContact O-N 3.09Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; L102-L105 PolarHBondContact O-N 3.41Å; L102-A106 VanDerWaalsContact O-CB 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.38Å; L102-A106 PolarHBondContact O-N 3.32Å |
| 103 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.8 | -51.3 | 173.5 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | A65 Y66 C69 L70 I99 Q100 A107 T141 | A65-V103 HydrophobicContact CB-CG1 4.29Å; Y66-V103 HydrophobicContact CE1-CG1 4.31Å; C69-V103 HydrophobicContact CB-CG2 3.53Å; L70-V103 HydrophobicContact CB-CG2 4.19Å; I99-V103 WeakPolarHBondContact O-CG2 3.37Å; I99-V103 PolarHBondContact O-N 3.19Å; Q100-V103 WeakPolarHBondContact O-CB 3.3Å; Q100-V103 PolarHBondContact O-N 3.42Å; V103-A107 WeakPolarHBondContact O-CB 3.38Å; V103-A107 PolarHBondContact O-N 3.05Å; V103-T141 HydrophobicContact CG1-CG2 4.05Å |
| 104 | I | 98.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 30% | 0.303 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | -178.7 | -65 | 170.4 | 0 | 0 | 0 | 110.9 | Q100 A101 A107 A108 A145 | Q100-I104 PolarHBondContact O-N 3.45Å; Q100-I104 VanDerWaalsContact O-N 3.13Å; A101-I104 PolarHBondContact O-N 2.9Å; I104-A107 PolarHBondContact O-N 3.01Å; I104-A108 VanDerWaalsContact O-CB 3.27Å; I104-A108 WeakPolarHBondContact O-CB 3.23Å; I104-A108 PolarHBondContact O-N 2.84Å; I104-A145 HydrophobicContact CD1-CB 3.69Å |
| 105 | L | 98.6 | Very high | 97.7 | Very high | 110 Ų | 110 | 46.3 Ų | 46.3 | 58% | 0.576 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.6 | -51.6 | 180 | -179.3 | 62.6 | 0 | 0 | 0 | 111.3 | A101 L102 A107 A108 T109 | A101-L105 WeakPolarHBondContact O-CB 3.36Å; A101-L105 PolarHBondContact O-N 3.37Å; L102-L105 PolarHBondContact O-N 3.41Å; L105-A107 PolarHBondContact O-N 3.37Å; L105-A108 PolarHBondContact O-N 2.94Å; L105-T109 PolarHBondContact O-N 3.38Å; L105-T109 PolarHBondContact O-OG1 3.47Å |
| 106 | A | 98.8 | Very high | 97.9 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C61 I64 A65 L102 T109 G110 | C61-A106 WeakPolarHBondContact CB-O 3.3Å; I64-A106 HydrophobicContact CG2-CB 4.28Å; A65-A106 HydrophobicContact CB-CB 3.89Å; L102-A106 VanDerWaalsContact O-CB 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.38Å; L102-A106 PolarHBondContact O-N 3.32Å; A106-T109 PolarHBondContact O-N 3.48Å; A106-G110 PolarHBondContact O-N 3.09Å |
| 107 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M62 A65 Y66 V103 I104 L105 T109 G110 V111 L138 | M62-A107 VanDerWaalsContact CE-O 3.28Å; M62-A107 WeakPolarHBondContact CE-O 3.38Å; A65-A107 HydrophobicContact CB-CB 4.13Å; Y66-A107 HydrophobicContact CE2-CB 3.77Å; V103-A107 WeakPolarHBondContact O-CB 3.38Å; V103-A107 PolarHBondContact O-N 3.05Å; I104-A107 PolarHBondContact O-N 3.01Å; L105-A107 PolarHBondContact O-N 3.37Å; A107-T109 PolarHBondContact O-N 2.95Å; A107-G110 PolarHBondContact O-N 3.16Å; A107-V111 WeakPolarHBondContact O-CG2 3.45Å; A107-V111 PolarHBondContact O-N 2.9Å; A107-L138 HydrophobicContact CB-CD1 3.86Å |
| 108 | A | 98.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I104 L105 G110 V111 G112 | I104-A108 VanDerWaalsContact O-CB 3.27Å; I104-A108 WeakPolarHBondContact O-CB 3.23Å; I104-A108 PolarHBondContact O-N 2.84Å; L105-A108 PolarHBondContact O-N 2.94Å; A108-G110 PolarHBondContact O-N 3.33Å; A108-V111 PolarHBondContact O-N 2.94Å; A108-G112 PolarHBondContact O-N 2.87Å |
| 109 | T | 98.6 | Very high | 98.2 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | L105 A106 A107 V111 G112 F113 | L105-T109 PolarHBondContact O-N 3.38Å; L105-T109 PolarHBondContact O-OG1 3.47Å; A106-T109 PolarHBondContact O-N 3.48Å; A107-T109 PolarHBondContact O-N 2.95Å; T109-V111 PolarHBondContact O-N 3.48Å; T109-G112 PolarHBondContact O-N 3.3Å; T109-F113 HydrophobicContact CG2-CD2 3.81Å; T109-F113 HydrophobicContact CG2-CE2 3.68Å; T109-F113 WeakPolarHBondContact O-CD2 3.35Å; T109-F113 PolarHBondContact O-N 3.2Å |
| 110 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H58 C61 A106 A107 A108 M114 | H58-G110 PolarHBondContact ND1-O 3.24Å; C61-G110 VanDerWaalsContact CB-CA 3.46Å; A106-G110 PolarHBondContact O-N 3.09Å; A107-G110 PolarHBondContact O-N 3.16Å; A108-G110 PolarHBondContact O-N 3.33Å; G110-M114 WeakPolarHBondContact O-CB 2.99Å; G110-M114 PolarHBondContact O-N 3.07Å |
| 111 | V | 98.4 | Very high | 98.2 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 30% | 0.297 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 171.9 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | M62 A107 A108 T109 F113 M114 V115 L138 | M62-V111 HydrophobicContact CE-CB 4.3Å; M62-V111 HydrophobicContact CE-CG2 3.35Å; A107-V111 WeakPolarHBondContact O-CG2 3.45Å; A107-V111 PolarHBondContact O-N 2.9Å; A108-V111 PolarHBondContact O-N 2.94Å; T109-V111 PolarHBondContact O-N 3.48Å; V111-F113 VanDerWaalsContact C-N 3.34Å; V111-F113 PolarHBondContact O-N 3.05Å; V111-M114 WeakPolarHBondContact O-CB 3.29Å; V111-M114 PolarHBondContact O-N 3.02Å; V111-M114 VanDerWaalsContact O-N 3.11Å; V111-V115 HydrophobicContact CG1-CG2 3.97Å; V111-V115 WeakPolarHBondContact O-CG2 3.45Å; V111-V115 PolarHBondContact O-N 3.2Å; V111-L138 HydrophobicContact CG2-CD2 3.94Å |
| 112 | G | 98.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A108 T109 M114 V115 A116 | A108-G112 PolarHBondContact O-N 2.87Å; T109-G112 PolarHBondContact O-N 3.3Å; G112-M114 PolarHBondContact O-N 3.44Å; G112-V115 PolarHBondContact O-N 3.34Å; G112-A116 WeakPolarHBondContact O-CB 3.47Å; G112-A116 PolarHBondContact O-N 3.33Å |
| 113 | F | 98.5 | Very high | 98 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 174.8 | -84.8 | -67.1 | 0 | 0 | 0 | 113.2 | L54 W57 T109 V111 A116 S117 | L54-F113 HydrophobicContact CD2-CD1 3.97Å; L54-F113 HydrophobicContact CD2-CE1 4.09Å; W57-F113 HydrophobicContact CB-CB 3.95Å; W57-F113 HydrophobicContact CB-CD1 3.96Å; W57-F113 HydrophobicContact CB-CD2 3.49Å; W57-F113 VanDerWaalsContact CB-CD2 3.49Å; W57-F113 HydrophobicContact CB-CE1 4.34Å; W57-F113 HydrophobicContact CB-CE2 3.9Å; W57-F113 HydrophobicContact CB-CG 3.53Å; W57-F113 HydrophobicContact CB-CZ 4.31Å; W57-F113 AromaticContact CD1-CD1 3.94Å; W57-F113 AromaticContact CD1-CE1 3.75Å; W57-F113 HydrophobicContact CG-CD1 4.16Å; W57-F113 HydrophobicContact CG-CD2 4.1Å; W57-F113 HydrophobicContact CG-CE1 4.09Å; W57-F113 HydrophobicContact CG-CE2 4.02Å; W57-F113 HydrophobicContact CG-CG 4.17Å; W57-F113 HydrophobicContact CG-CZ 4.02Å; T109-F113 HydrophobicContact CG2-CD2 3.81Å; T109-F113 HydrophobicContact CG2-CE2 3.68Å; T109-F113 WeakPolarHBondContact O-CD2 3.35Å; T109-F113 PolarHBondContact O-N 3.2Å; V111-F113 VanDerWaalsContact C-N 3.34Å; V111-F113 PolarHBondContact O-N 3.05Å; F113-A116 PolarHBondContact O-N 3.03Å; F113-S117 VanDerWaalsContact O-CB 3.3Å; F113-S117 WeakPolarHBondContact O-CB 3.43Å; F113-S117 PolarHBondContact O-N 3.27Å |
| 114 | M | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 16% | 0.163 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 177 | -177.3 | 67.2 | -93.7 | 0 | 0 | 111.9 | F55 H58 G110 V111 G112 S117 K118 | F55-M114 HydrophobicContact CD2-CE 3.71Å; F55-M114 HydrophobicContact CD2-SD 3.57Å; F55-M114 VanDerWaalsContact CD2-SD 3.57Å; F55-M114 HydrophobicContact CE2-CE 4.22Å; F55-M114 HydrophobicContact CE2-SD 3.63Å; H58-M114 HydrophobicContact CB-CB 4.12Å; H58-M114 HydrophobicContact CB-SD 4.48Å; G110-M114 WeakPolarHBondContact O-CB 2.99Å; G110-M114 PolarHBondContact O-N 3.07Å; V111-M114 WeakPolarHBondContact O-CB 3.29Å; V111-M114 PolarHBondContact O-N 3.02Å; V111-M114 VanDerWaalsContact O-N 3.11Å; G112-M114 PolarHBondContact O-N 3.44Å; M114-S117 PolarHBondContact O-N 2.83Å; M114-K118 HydrophobicContact CE-CD 3.84Å; M114-K118 HydrophobicContact CE-CG 3.57Å; M114-K118 PolarHBondContact O-N 2.86Å |
| 115 | V | 98.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 65.5 Ų | 65.5 | 35% | 0.352 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | V111 G112 S117 K118 N119 | V111-V115 HydrophobicContact CG1-CG2 3.97Å; V111-V115 WeakPolarHBondContact O-CG2 3.45Å; V111-V115 PolarHBondContact O-N 3.2Å; G112-V115 PolarHBondContact O-N 3.34Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 2.87Å; V115-K118 PolarHBondContact O-N 3.5Å; V115-N119 VanDerWaalsContact O-CG 3.24Å; V115-N119 PolarHBondContact O-N 3.37Å; V115-N119 PolarHBondContact O-OD1 3.41Å |
| 116 | A | 98.3 | Very high | 97.6 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L54 G112 F113 K118 N119 V120 | L54-A116 HydrophobicContact CD1-CB 4.1Å; G112-A116 WeakPolarHBondContact O-CB 3.47Å; G112-A116 PolarHBondContact O-N 3.33Å; F113-A116 PolarHBondContact O-N 3.03Å; A116-K118 VanDerWaalsContact C-N 3.34Å; A116-K118 PolarHBondContact O-N 3.4Å; A116-N119 PolarHBondContact O-N 2.87Å; A116-V120 WeakPolarHBondContact O-CG2 3.34Å; A116-V120 PolarHBondContact O-N 3.23Å |
| 117 | S | 98 | Very high | 97.4 | Very high | 17 Ų | 17 | 67 Ų | 67 | 12% | 0.119 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | F55 F113 M114 V115 S121 | F55-S117 PolarHBondContact N-OG 3.3Å; F113-S117 VanDerWaalsContact O-CB 3.3Å; F113-S117 WeakPolarHBondContact O-CB 3.43Å; F113-S117 PolarHBondContact O-N 3.27Å; M114-S117 PolarHBondContact O-N 2.83Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-S117 PolarHBondContact O-N 2.87Å; S117-S121 WeakPolarHBondContact O-CB 3.41Å; S117-S121 PolarHBondContact O-N 3.25Å; S117-S121 PolarHBondContact O-OG 3.21Å |
| 118 | K | 97.1 | Very high | 97.3 | Very high | 36 Ų | 36 | 70.4 Ų | 70.4 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 178.2 | -89.4 | 177.3 | 177.9 | -143.7 | 0 | 112.7 | M114 V115 A116 S121 E122 R123 P124 H125 | M114-K118 HydrophobicContact CE-CD 3.84Å; M114-K118 HydrophobicContact CE-CG 3.57Å; M114-K118 PolarHBondContact O-N 2.86Å; V115-K118 PolarHBondContact O-N 3.5Å; A116-K118 VanDerWaalsContact C-N 3.34Å; A116-K118 PolarHBondContact O-N 3.4Å; K118-S121 CarbonylContact O-C 3.57Å; K118-S121 PolarHBondContact O-N 2.87Å; K118-E122 WeakPolarHBondContact O-CA 3.29Å; K118-E122 PolarHBondContact O-N 3.08Å; K118-R123 HydrophobicContact CG-CB 4.12Å; K118-R123 PolarHBondContact O-N 3.35Å; K118-P124 PolarHBondContact NZ-O 2.96Å; K118-H125 WeakPolarHBondContact CB-CE1 3.2Å |
| 119 | N | 98 | Very high | 97.2 | Very high | 97 Ų | 97 | 77.7 Ų | 77.7 | 52% | 0.519 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.2 | -68 | -9.8 | 0 | 0 | 0 | 111 | V115 A116 S121 E122 H125 | V115-N119 VanDerWaalsContact O-CG 3.24Å; V115-N119 PolarHBondContact O-N 3.37Å; V115-N119 PolarHBondContact O-OD1 3.41Å; A116-N119 PolarHBondContact O-N 2.87Å; N119-S121 VanDerWaalsContact C-N 3.31Å; N119-S121 PolarHBondContact O-N 2.92Å; N119-E122 PolarHBondContact O-N 3.09Å; N119-H125 PolarHBondContact OD1-CE1 3.26Å; N119-H125 PolarHBondContact OD1-NE2 3.12Å |
| 120 | V | 97.8 | Very high | 97.2 | Very high | 113 Ų | 113 | 77 Ų | 77 | 69% | 0.685 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.7 | -35.9 | 178.6 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | L54 A116 | L54-V120 HydrophobicContact CD1-CG2 4.11Å; A116-V120 WeakPolarHBondContact O-CG2 3.34Å; A116-V120 PolarHBondContact O-N 3.23Å |
| 121 | S | 96.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 78 Ų | 78 | 48% | 0.476 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6 | 179.7 | -56.2 | 0 | 0 | 0 | 0 | 114.3 | S117 K118 N119 R123 | S117-S121 WeakPolarHBondContact O-CB 3.41Å; S117-S121 PolarHBondContact O-N 3.25Å; S117-S121 PolarHBondContact O-OG 3.21Å; K118-S121 CarbonylContact O-C 3.57Å; K118-S121 PolarHBondContact O-N 2.87Å; N119-S121 VanDerWaalsContact C-N 3.31Å; N119-S121 PolarHBondContact O-N 2.92Å; S121-R123 WeakPolarHBondContact O-CG 3.17Å; S121-R123 PolarHBondContact O-N 3.19Å; S121-R123 VanDerWaalsContact O-N 3.09Å |
| 122 | E | 96.6 | Very high | 97.1 | Very high | 181 Ų | 181 | 79.9 Ų | 79.9 | 85% | 0.846 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.3 | -177.6 | -57.1 | -171.8 | 136.7 | 0 | 0 | 113.9 | K118 N119 | K118-E122 WeakPolarHBondContact O-CA 3.29Å; K118-E122 PolarHBondContact O-N 3.08Å; N119-E122 PolarHBondContact O-N 3.09Å |
| 123 | R | 94.9 | Very high | 97.1 | Very high | 173 Ų | 173 | 80.4 Ų | 80.4 | 65% | 0.653 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 144.3 | -179.3 | -64.9 | -59.9 | -171.8 | 160.6 | 1.8 | 110.8 | K118 S121 | K118-R123 HydrophobicContact CG-CB 4.12Å; K118-R123 PolarHBondContact O-N 3.35Å; S121-R123 WeakPolarHBondContact O-CG 3.17Å; S121-R123 PolarHBondContact O-N 3.19Å; S121-R123 VanDerWaalsContact O-N 3.09Å |
| 124 | P | 96 | Very high | 97 | Very high | 86 Ų | 86 | 78.5 Ų | 78.5 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 141.8 | -179.7 | 26.6 | -35 | 0 | 0 | 0 | 112.3 | K118 A127 | K118-P124 PolarHBondContact NZ-O 2.96Å; P124-A127 HydrophobicContact CB-CB 4.14Å; P124-A127 HydrophobicContact CG-CB 4.02Å |
| 125 | H | 96.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 80.5 Ų | 80.5 | 40% | 0.398 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -83.3 | 151.7 | 173.8 | -65.9 | -84 | 0 | 0 | 0 | 110.8 | K118 N119 A127 | K118-H125 WeakPolarHBondContact CB-CE1 3.2Å; N119-H125 PolarHBondContact OD1-CE1 3.26Å; N119-H125 PolarHBondContact OD1-NE2 3.12Å; H125-A127 PolarHBondContact O-N 3.05Å |
| 126 | L | 95.8 | Very high | 97.1 | Very high | 89 Ų | 89 | 79.4 Ų | 79.4 | 47% | 0.466 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 53.6 | 23.5 | 174.8 | -52 | -177.3 | 0 | 0 | 0 | 116.3 | S131 L132 V135 | L126-S131 VanDerWaalsContact C-OG 3.24Å; L126-S131 VanDerWaalsContact CA-OG 3.23Å; L126-S131 WeakPolarHBondContact CA-OG 3.31Å; L126-L132 HydrophobicContact CB-CD2 4.21Å; L126-V135 HydrophobicContact CD2-CB 4.48Å; L126-V135 HydrophobicContact CD2-CG2 3.47Å; L126-V135 VanDerWaalsContact CD2-CG2 3.47Å |
| 127 | A | 95.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 77.7 Ų | 77.7 | 56% | 0.562 | 42% | 0.419 | S | S | * | . | trans | -84 | -6.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P124 H125 S131 | P124-A127 HydrophobicContact CB-CB 4.14Å; P124-A127 HydrophobicContact CG-CB 4.02Å; H125-A127 PolarHBondContact O-N 3.05Å; A127-S131 PolarHBondContact N-OG 3.36Å | ||
| 128 | T | 96 | Very high | 97.1 | Very high | 72 Ų | 72 | 78.8 Ų | 78.8 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -122.3 | 153.4 | -176.8 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | H130 S131 L132 | T128-H130 PolarHBondContact O-N 3.25Å; T128-S131 PolarHBondContact N-OG 3.38Å; T128-S131 PolarHBondContact O-N 3.2Å; T128-S131 PolarHBondContact O-OG 3.36Å; T128-S131 PolarHBondContact OG1-N 2.87Å; T128-S131 PolarHBondContact OG1-OG 3.44Å; T128-L132 PolarHBondContact O-N 2.95Å |
| 129 | W | 96.5 | Very high | 97.1 | Very high | 209 Ų | 209 | 79.9 Ų | 79.9 | 79% | 0.792 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -52.7 | -43.9 | 172.7 | -71.6 | 115.1 | 0 | 0 | 0 | 112.4 | S131 L132 L133 | W129-S131 VanDerWaalsContact C-N 3.31Å; W129-S131 PolarHBondContact O-N 2.82Å; W129-L132 HydrophobicContact CE3-CD1 4.41Å; W129-L132 PolarHBondContact O-N 3.2Å; W129-L133 WeakPolarHBondContact O-CB 3.3Å; W129-L133 VanDerWaalsContact O-CG 3.27Å; W129-L133 WeakPolarHBondContact O-CG 3.44Å; W129-L133 PolarHBondContact O-N 3.39Å |
| 130 | H | 97.9 | Very high | 97.2 | Very high | 43 Ų | 43 | 76.6 Ų | 76.6 | 20% | 0.199 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 175.4 | 174.8 | 64.5 | 0 | 0 | 0 | 112.1 | H58 T128 G134 T182 S185 A186 | H58-H130 AromaticContact NE2-NE2 3.92Å; T128-H130 PolarHBondContact O-N 3.25Å; H130-G134 WeakPolarHBondContact O-CA 3.41Å; H130-G134 PolarHBondContact O-N 3.25Å; H130-T182 PolarHBondContact ND1-O 3.29Å; H130-S185 PolarHBondContact ND1-OG 3.25Å; H130-S185 VanDerWaalsContact ND1-OG 3.14Å; H130-A186 VanDerWaalsContact CE1-CB 3.41Å; H130-A186 WeakPolarHBondContact CE1-CB 3.5Å |
| 131 | S | 97.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 71.5 Ų | 71.5 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.3 | -35.2 | 179.9 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | L126 A127 T128 W129 G134 V135 | L126-S131 VanDerWaalsContact C-OG 3.24Å; L126-S131 VanDerWaalsContact CA-OG 3.23Å; L126-S131 WeakPolarHBondContact CA-OG 3.31Å; A127-S131 PolarHBondContact N-OG 3.36Å; T128-S131 PolarHBondContact N-OG 3.38Å; T128-S131 PolarHBondContact O-N 3.2Å; T128-S131 PolarHBondContact O-OG 3.36Å; T128-S131 PolarHBondContact OG1-N 2.87Å; T128-S131 PolarHBondContact OG1-OG 3.44Å; W129-S131 VanDerWaalsContact C-N 3.31Å; W129-S131 PolarHBondContact O-N 2.82Å; S131-G134 PolarHBondContact O-N 3.03Å; S131-V135 PolarHBondContact O-N 3.48Å; S131-V135 VanDerWaalsContact O-N 3.08Å |
| 132 | L | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 71.8 Ų | 71.8 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.5 | -47.7 | 174.8 | -67.6 | 171.9 | 0 | 0 | 0 | 111.2 | L126 T128 W129 G134 V135 G136 | L126-L132 HydrophobicContact CB-CD2 4.21Å; T128-L132 PolarHBondContact O-N 2.95Å; W129-L132 HydrophobicContact CE3-CD1 4.41Å; W129-L132 PolarHBondContact O-N 3.2Å; L132-G134 VanDerWaalsContact C-N 3.28Å; L132-G134 PolarHBondContact O-N 2.96Å; L132-V135 PolarHBondContact O-N 3.33Å; L132-G136 PolarHBondContact O-N 2.82Å |
| 133 | L | 98.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 68.7 Ų | 68.7 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 174.4 | -69.8 | 171.4 | 0 | 0 | 0 | 111.4 | W129 G136 T137 L178 V181 T182 | W129-L133 WeakPolarHBondContact O-CB 3.3Å; W129-L133 VanDerWaalsContact O-CG 3.27Å; W129-L133 WeakPolarHBondContact O-CG 3.44Å; W129-L133 PolarHBondContact O-N 3.39Å; L133-G136 PolarHBondContact O-N 3.33Å; L133-T137 WeakPolarHBondContact O-CB 3.37Å; L133-T137 PolarHBondContact O-N 3.08Å; L133-T137 PolarHBondContact O-OG1 3.21Å; L133-L178 HydrophobicContact CD2-CD1 4.43Å; L133-V181 HydrophobicContact CD1-CG1 4.24Å; L133-T182 PolarHBondContact O-OG1 3.03Å |
| 134 | G | 98.1 | Very high | 97.4 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H130 S131 L132 T137 L138 | H130-G134 WeakPolarHBondContact O-CA 3.41Å; H130-G134 PolarHBondContact O-N 3.25Å; S131-G134 PolarHBondContact O-N 3.03Å; L132-G134 VanDerWaalsContact C-N 3.28Å; L132-G134 PolarHBondContact O-N 2.96Å; G134-T137 WeakPolarHBondContact O-CB 3.2Å; G134-T137 PolarHBondContact O-N 3.2Å; G134-L138 WeakPolarHBondContact O-CB 3.33Å; G134-L138 PolarHBondContact O-N 3.1Å |
| 135 | V | 97.9 | Very high | 97.4 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.1 | 171 | 0 | 0 | 0 | 0 | 111.4 | L126 S131 L132 T137 L138 A139 | L126-V135 HydrophobicContact CD2-CB 4.48Å; L126-V135 HydrophobicContact CD2-CG2 3.47Å; L126-V135 VanDerWaalsContact CD2-CG2 3.47Å; S131-V135 PolarHBondContact O-N 3.48Å; S131-V135 VanDerWaalsContact O-N 3.08Å; L132-V135 PolarHBondContact O-N 3.33Å; V135-T137 VanDerWaalsContact C-N 3.33Å; V135-T137 PolarHBondContact O-N 2.65Å; V135-L138 PolarHBondContact O-N 2.9Å; V135-A139 WeakPolarHBondContact O-CB 3.3Å; V135-A139 PolarHBondContact O-N 3.4Å |
| 136 | G | 98.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L132 L133 A139 A140 | L132-G136 PolarHBondContact O-N 2.82Å; L133-G136 PolarHBondContact O-N 3.33Å; G136-A139 PolarHBondContact O-N 2.87Å; G136-A140 VanDerWaalsContact O-CB 3.3Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 3.27Å |
| 137 | T | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | Y66 L133 G134 V135 A140 T141 L178 A179 T182 | Y66-T137 HydrophobicContact CD1-CG2 4.28Å; Y66-T137 HydrophobicContact CE1-CG2 3.78Å; L133-T137 WeakPolarHBondContact O-CB 3.37Å; L133-T137 PolarHBondContact O-N 3.08Å; L133-T137 PolarHBondContact O-OG1 3.21Å; G134-T137 WeakPolarHBondContact O-CB 3.2Å; G134-T137 PolarHBondContact O-N 3.2Å; V135-T137 VanDerWaalsContact C-N 3.33Å; V135-T137 PolarHBondContact O-N 2.65Å; T137-A140 PolarHBondContact O-N 3.27Å; T137-T141 WeakPolarHBondContact O-CB 3.49Å; T137-T141 PolarHBondContact O-N 3.14Å; T137-T141 PolarHBondContact O-OG1 2.92Å; T137-L178 WeakPolarHBondContact OG1-CG 3.37Å; T137-A179 HydrophobicContact CG2-CB 3.75Å; T137-T182 PolarHBondContact OG1-OG1 3.25Å |
| 138 | L | 98.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 179.1 | -178.6 | 61.5 | 0 | 0 | 0 | 111.4 | A107 V111 G134 V135 A140 T141 V142 | A107-L138 HydrophobicContact CB-CD1 3.86Å; V111-L138 HydrophobicContact CG2-CD2 3.94Å; G134-L138 WeakPolarHBondContact O-CB 3.33Å; G134-L138 PolarHBondContact O-N 3.1Å; V135-L138 PolarHBondContact O-N 2.9Å; L138-A140 PolarHBondContact O-N 3.38Å; L138-T141 WeakPolarHBondContact O-CB 3.37Å; L138-T141 PolarHBondContact O-N 3.1Å; L138-V142 WeakPolarHBondContact O-CG2 3.48Å; L138-V142 PolarHBondContact O-N 2.7Å |
| 139 | A | 98.4 | Very high | 96.1 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 49% | 0.488 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V135 G136 T141 V142 L143 | V135-A139 WeakPolarHBondContact O-CB 3.3Å; V135-A139 PolarHBondContact O-N 3.4Å; G136-A139 PolarHBondContact O-N 2.87Å; A139-T141 VanDerWaalsContact C-N 3.3Å; A139-T141 PolarHBondContact O-N 3.05Å; A139-V142 PolarHBondContact O-N 3.44Å; A139-L143 WeakPolarHBondContact O-CB 3.35Å; A139-L143 PolarHBondContact O-N 3.32Å |
| 140 | A | 98.5 | Very high | 95.4 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -35.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G136 T137 L138 Q144 V175 L178 | G136-A140 VanDerWaalsContact O-CB 3.3Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 3.27Å; T137-A140 PolarHBondContact O-N 3.27Å; L138-A140 PolarHBondContact O-N 3.38Å; A140-Q144 WeakPolarHBondContact O-CB 3.39Å; A140-Q144 PolarHBondContact O-N 3.18Å; A140-V175 HydrophobicContact CB-CG2 3.94Å; A140-L178 HydrophobicContact CB-CD2 4.18Å |
| 141 | T | 98.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 176 | -56 | 0 | 0 | 0 | 0 | 111.4 | Y66 V103 T137 L138 A139 Q144 A145 | Y66-T141 HydrophobicContact CE1-CG2 4.31Å; Y66-T141 WeakPolarHBondContact CE1-OG1 3.39Å; Y66-T141 PolarHBondContact OH-OG1 3.25Å; V103-T141 HydrophobicContact CG1-CG2 4.05Å; T137-T141 WeakPolarHBondContact O-CB 3.49Å; T137-T141 PolarHBondContact O-N 3.14Å; T137-T141 PolarHBondContact O-OG1 2.92Å; L138-T141 WeakPolarHBondContact O-CB 3.37Å; L138-T141 PolarHBondContact O-N 3.1Å; A139-T141 VanDerWaalsContact C-N 3.3Å; A139-T141 PolarHBondContact O-N 3.05Å; T141-Q144 PolarHBondContact O-N 3.17Å; T141-A145 PolarHBondContact O-N 3.36Å |
| 142 | V | 97.8 | Very high | 94 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L138 A139 Q144 A145 A146 | L138-V142 WeakPolarHBondContact O-CG2 3.48Å; L138-V142 PolarHBondContact O-N 2.7Å; A139-V142 PolarHBondContact O-N 3.44Å; V142-Q144 VanDerWaalsContact C-N 3.35Å; V142-Q144 PolarHBondContact O-N 3.49Å; V142-A145 PolarHBondContact O-N 2.95Å; V142-A146 PolarHBondContact O-N 2.86Å |
| 143 | L | 96.8 | Very high | 93.3 | Very high | 116 Ų | 116 | 51 Ų | 51 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 176.3 | -178.9 | 59.8 | 0 | 0 | 0 | 111.5 | A139 A145 A146 C147 | A139-L143 WeakPolarHBondContact O-CB 3.35Å; A139-L143 PolarHBondContact O-N 3.32Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 2.59Å; L143-A146 WeakPolarHBondContact O-CB 3.19Å; L143-A146 PolarHBondContact O-N 2.71Å; L143-C147 PolarHBondContact O-N 3.02Å; L143-C147 PolarHBondContact O-SG 3.13Å |
| 144 | Q | 97.4 | Very high | 92.3 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -38 | 178.2 | 175.9 | 62 | 13.6 | 0 | 0 | 112.4 | A140 T141 V142 C147 G148 H168 V175 | A140-Q144 WeakPolarHBondContact O-CB 3.39Å; A140-Q144 PolarHBondContact O-N 3.18Å; T141-Q144 PolarHBondContact O-N 3.17Å; V142-Q144 VanDerWaalsContact C-N 3.35Å; V142-Q144 PolarHBondContact O-N 3.49Å; Q144-C147 WeakPolarHBondContact O-CB 3.5Å; Q144-C147 PolarHBondContact O-N 3.34Å; Q144-G148 PolarHBondContact O-N 2.95Å; Q144-H168 PolarHBondContact NE2-CE1 3Å; Q144-H168 VanDerWaalsContact NE2-CE1 3.25Å; Q144-H168 PolarHBondContact NE2-ND1 2.7Å; Q144-H168 PolarHBondContact NE2-O 3.41Å; Q144-V175 HydrophobicContact CB-CG2 3.9Å; Q144-V175 HydrophobicContact CG-CG2 4.24Å |
| 145 | A | 95.4 | Very high | 91.3 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I104 T141 V142 L143 C147 G148 I149 | I104-A145 HydrophobicContact CD1-CB 3.69Å; T141-A145 PolarHBondContact O-N 3.36Å; V142-A145 PolarHBondContact O-N 2.95Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 2.59Å; A145-C147 PolarHBondContact O-N 2.88Å; A145-G148 WeakPolarHBondContact O-CA 3.41Å; A145-G148 PolarHBondContact O-N 3.38Å; A145-G148 VanDerWaalsContact O-N 3.08Å; A145-I149 PolarHBondContact O-N 3.03Å; A145-I149 VanDerWaalsContact O-N 3.11Å |
| 146 | A | 91.7 | Very high | 90.3 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 37% | 0.372 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V142 L143 G148 I149 C150 | V142-A146 PolarHBondContact O-N 2.86Å; L143-A146 WeakPolarHBondContact O-CB 3.19Å; L143-A146 PolarHBondContact O-N 2.71Å; A146-G148 PolarHBondContact O-N 3.27Å; A146-I149 WeakPolarHBondContact O-CA 3.27Å; A146-I149 WeakPolarHBondContact O-CB 3.38Å; A146-I149 PolarHBondContact O-N 3.09Å; A146-C150 PolarHBondContact O-N 3.4Å; A146-C150 VanDerWaalsContact O-N 3.12Å; A146-C150 PolarHBondContact O-SG 3.5Å; A146-C150 VanDerWaalsContact O-SG 3.4Å |
| 147 | C | 90.2 | Very high | 89.3 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 33% | 0.331 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.3 | -36.1 | 172.1 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | L143 Q144 A145 I149 C150 L151 | L143-C147 PolarHBondContact O-N 3.02Å; L143-C147 PolarHBondContact O-SG 3.13Å; Q144-C147 WeakPolarHBondContact O-CB 3.5Å; Q144-C147 PolarHBondContact O-N 3.34Å; A145-C147 PolarHBondContact O-N 2.88Å; C147-I149 VanDerWaalsContact C-N 3.29Å; C147-I149 PolarHBondContact O-N 2.94Å; C147-C150 PolarHBondContact O-N 3.41Å; C147-L151 PolarHBondContact O-N 3.26Å |
| 148 | G | 89.1 | Confident | 88.7 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 7% | 0.072 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | W97 Q144 A145 A146 L151 | W97-G148 WeakPolarHBondContact CZ2-O 3.48Å; Q144-G148 PolarHBondContact O-N 2.95Å; A145-G148 WeakPolarHBondContact O-CA 3.41Å; A145-G148 PolarHBondContact O-N 3.38Å; A145-G148 VanDerWaalsContact O-N 3.08Å; A146-G148 PolarHBondContact O-N 3.27Å; G148-L151 WeakPolarHBondContact O-CB 3.27Å; G148-L151 PolarHBondContact O-N 3.36Å |
| 149 | I | 86 | Confident | 87.9 | Confident | 84 Ų | 84 | 74.4 Ų | 74.4 | 43% | 0.431 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 175.2 | -61.1 | 167.3 | 0 | 0 | 0 | 111.6 | W97 A145 A146 C147 L151 L152 F153 | W97-I149 HydrophobicContact CH2-CB 4.06Å; W97-I149 HydrophobicContact CH2-CG1 3.65Å; W97-I149 HydrophobicContact CH2-CG2 4.43Å; W97-I149 HydrophobicContact CZ3-CG1 3.67Å; A145-I149 PolarHBondContact O-N 3.03Å; A145-I149 VanDerWaalsContact O-N 3.11Å; A146-I149 WeakPolarHBondContact O-CA 3.27Å; A146-I149 WeakPolarHBondContact O-CB 3.38Å; A146-I149 PolarHBondContact O-N 3.09Å; C147-I149 VanDerWaalsContact C-N 3.29Å; C147-I149 PolarHBondContact O-N 2.94Å; I149-L151 PolarHBondContact O-N 3.07Å; I149-L151 VanDerWaalsContact O-N 3.1Å; I149-L152 WeakPolarHBondContact O-CB 3.26Å; I149-L152 WeakPolarHBondContact O-CG 3.43Å; I149-L152 PolarHBondContact O-N 3.2Å; I149-F153 HydrophobicContact CG2-CE2 4.38Å |
| 150 | C | 80.6 | Confident | 87.4 | Confident | 51 Ų | 51 | 74 Ų | 74 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -21.1 | 179.1 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | A146 C147 L152 F153 L157 | A146-C150 PolarHBondContact O-N 3.4Å; A146-C150 VanDerWaalsContact O-N 3.12Å; A146-C150 PolarHBondContact O-SG 3.5Å; A146-C150 VanDerWaalsContact O-SG 3.4Å; C147-C150 PolarHBondContact O-N 3.41Å; C150-L152 PolarHBondContact O-N 3.46Å; C150-F153 CarbonylContact O-C 3.54Å; C150-F153 PolarHBondContact O-N 3.01Å; C150-L157 HydrophobicContact CB-CD1 3.67Å |
| 151 | L | 84 | Confident | 86.8 | Confident | 50 Ų | 50 | 76 Ų | 76 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.5 | 171.9 | -75 | 165 | 0 | 0 | 0 | 113.5 | C147 G148 I149 F153 L164 K165 H168 | C147-L151 PolarHBondContact O-N 3.26Å; G148-L151 WeakPolarHBondContact O-CB 3.27Å; G148-L151 PolarHBondContact O-N 3.36Å; I149-L151 PolarHBondContact O-N 3.07Å; I149-L151 VanDerWaalsContact O-N 3.1Å; L151-F153 VanDerWaalsContact C-N 3.3Å; L151-L164 HydrophobicContact CD2-CB 3.9Å; L151-L164 HydrophobicContact CD2-CD2 3.73Å; L151-L164 HydrophobicContact CD2-CG 3.47Å; L151-L164 VanDerWaalsContact CD2-CG 3.47Å; L151-L164 HydrophobicContact CG-CD2 4.3Å; L151-L164 HydrophobicContact CG-CG 4.22Å; L151-K165 HydrophobicContact CD2-CG 4.09Å; L151-H168 HydrophobicContact CD1-CB 3.92Å |
| 152 | L | 82.4 | Confident | 86.3 | Confident | 103 Ų | 103 | 80 Ų | 80 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -19.9 | 175.5 | -59.2 | -178.1 | 0 | 0 | 0 | 112.6 | W97 I149 C150 P154 | W97-L152 HydrophobicContact CH2-CD1 3.45Å; W97-L152 VanDerWaalsContact CH2-CD1 3.45Å; W97-L152 HydrophobicContact CH2-CG 3.92Å; W97-L152 HydrophobicContact CZ2-CD1 3.88Å; W97-L152 HydrophobicContact CZ2-CD2 4.13Å; W97-L152 HydrophobicContact CZ2-CG 3.89Å; W97-L152 HydrophobicContact CZ3-CD1 4.37Å; I149-L152 WeakPolarHBondContact O-CB 3.26Å; I149-L152 WeakPolarHBondContact O-CG 3.43Å; I149-L152 PolarHBondContact O-N 3.2Å; C150-L152 PolarHBondContact O-N 3.46Å; L152-P154 WeakPolarHBondContact O-CD 3.39Å |
| 153 | F | 82.6 | Confident | 85.9 | Confident | 122 Ų | 122 | 83.9 Ų | 83.9 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | trans | -124.7 | 55.5 | -173.7 | -52.9 | -75.5 | 0 | 0 | 0 | 112.4 | I149 C150 L151 K155 L156 | I149-F153 HydrophobicContact CG2-CE2 4.38Å; C150-F153 CarbonylContact O-C 3.54Å; C150-F153 PolarHBondContact O-N 3.01Å; L151-F153 VanDerWaalsContact C-N 3.3Å; F153-K155 PolarHBondContact O-N 3.03Å; F153-K155 VanDerWaalsContact O-N 3.17Å; F153-L156 HydrophobicContact CB-CB 4.27Å; F153-L156 WeakPolarHBondContact O-CB 3.27Å; F153-L156 PolarHBondContact O-N 3.04Å | ||
| 154 | P | 76.6 | Confident | 85.5 | Confident | 39 Ų | 39 | 79.1 Ų | 79.1 | 25% | 0.253 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.9 | -173.5 | 26 | -34.9 | 0 | 0 | 0 | 113.2 | L152 L156 L157 K158 P161 | L152-P154 WeakPolarHBondContact O-CD 3.39Å; P154-L156 VanDerWaalsContact C-N 3.27Å; P154-L156 PolarHBondContact O-N 2.74Å; P154-L157 PolarHBondContact O-N 3.45Å; P154-K158 PolarHBondContact O-N 2.9Å; P154-P161 HydrophobicContact CB-CG 4.46Å |
| 155 | K | 77.1 | Confident | 85.2 | Confident | 200 Ų | 200 | 83.5 Ų | 83.5 | 87% | 0.87 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.7 | 177.2 | -66 | -174.1 | -179.7 | -178.7 | 0 | 112.5 | F153 L157 | F153-K155 PolarHBondContact O-N 3.03Å; F153-K155 VanDerWaalsContact O-N 3.17Å; K155-L157 VanDerWaalsContact C-N 3.34Å |
| 156 | L | 77.6 | Confident | 85 | Confident | 144 Ų | 144 | 84.9 Ų | 84.9 | 75% | 0.754 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -33.2 | 179.4 | -169.8 | 65.1 | 0 | 0 | 0 | 111.5 | F153 P154 | F153-L156 HydrophobicContact CB-CB 4.27Å; F153-L156 WeakPolarHBondContact O-CB 3.27Å; F153-L156 PolarHBondContact O-N 3.04Å; P154-L156 VanDerWaalsContact C-N 3.27Å; P154-L156 PolarHBondContact O-N 2.74Å |
| 157 | L | 78.8 | Confident | 85 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.3 | -178.2 | -65.8 | -176.2 | 0 | 0 | 0 | 114.5 | C150 P154 K155 L159 L164 | C150-L157 HydrophobicContact CB-CD1 3.67Å; P154-L157 PolarHBondContact O-N 3.45Å; K155-L157 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.37Å; L157-L164 HydrophobicContact CD1-CD1 3.69Å; L157-L164 HydrophobicContact CD1-CD2 3.82Å; L157-L164 HydrophobicContact CD1-CG 4.44Å |
| 158 | K | 84.3 | Confident | 85.3 | Confident | 201 Ų | 201 | 88.1 Ų | 88.1 | 87% | 0.874 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 26.5 | -176.2 | -56.3 | -179.5 | -179 | 178.1 | 0 | 113.7 | P154 | P154-K158 PolarHBondContact O-N 2.9Š|
| 159 | L | 82.8 | Confident | 85.5 | Confident | 62 Ų | 62 | 88.3 Ų | 88.3 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | trans | -112.8 | 148.7 | 179 | -73 | 174.7 | 0 | 0 | 0 | 110.7 | L157 L164 Y167 | L157-L159 PolarHBondContact O-N 3.37Å; L159-L164 HydrophobicContact CD1-CD1 4.15Å; L159-Y167 HydrophobicContact CD1-CD2 4.48Å; L159-Y167 HydrophobicContact CD1-CE2 4.37Å | ||
| 160 | S | 86.7 | Confident | 85.9 | Confident | 51 Ų | 51 | 87.6 Ų | 87.6 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | trans | -71.6 | 142.9 | 175.7 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | P162 R163 L164 | S160-P162 VanDerWaalsContact C-CD 3.44Å; S160-P162 VanDerWaalsContact C-N 3.34Å; S160-R163 PolarHBondContact O-N 2.91Å; S160-R163 VanDerWaalsContact O-N 3.11Å; S160-R163 WeakPolarHBondContact OG-CG 3.28Å; S160-L164 PolarHBondContact O-N 2.94Å | ||
| 161 | P | 86.7 | Confident | 86.7 | Confident | 69 Ų | 69 | 88.2 Ų | 88.2 | 45% | 0.448 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -54.5 | -37.4 | 179.8 | -26.1 | 33.3 | 0 | 0 | 0 | 115.4 | P154 K165 | P154-P161 HydrophobicContact CB-CG 4.46Å; P161-K165 VanDerWaalsContact O-CG 3.31Å; P161-K165 WeakPolarHBondContact O-CG 3.49Å; P161-K165 PolarHBondContact O-N 3.29Å; P161-K165 VanDerWaalsContact O-N 3.09Å |
| 162 | P | 88.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 59% | 0.591 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 175.2 | -23.5 | 35.2 | 0 | 0 | 0 | 113.3 | S160 K165 L166 | S160-P162 VanDerWaalsContact C-CD 3.44Å; S160-P162 VanDerWaalsContact C-N 3.34Å; P162-K165 PolarHBondContact O-N 3.3Å; P162-L166 PolarHBondContact O-N 3.3Å |
| 163 | R | 88 | Confident | 88.1 | Confident | 154 Ų | 154 | 82.6 Ų | 82.6 | 58% | 0.581 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 177.6 | -74.5 | -177.6 | -179.3 | 174.2 | 0.4 | 111.5 | S160 K165 L166 Y167 | S160-R163 PolarHBondContact O-N 2.91Å; S160-R163 VanDerWaalsContact O-N 3.11Å; S160-R163 WeakPolarHBondContact OG-CG 3.28Å; R163-K165 VanDerWaalsContact C-N 3.33Å; R163-K165 PolarHBondContact O-N 2.86Å; R163-L166 WeakPolarHBondContact O-CB 3.33Å; R163-L166 PolarHBondContact O-N 2.65Å; R163-Y167 PolarHBondContact O-N 3.4Å |
| 164 | L | 89.6 | Confident | 88.8 | Confident | 17 Ų | 17 | 81.1 Ų | 81.1 | 9% | 0.089 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 179 | -164.7 | 61.2 | 0 | 0 | 0 | 111.8 | L151 L157 L159 S160 Y167 H168 | L151-L164 HydrophobicContact CD2-CB 3.9Å; L151-L164 HydrophobicContact CD2-CD2 3.73Å; L151-L164 HydrophobicContact CD2-CG 3.47Å; L151-L164 VanDerWaalsContact CD2-CG 3.47Å; L151-L164 HydrophobicContact CG-CD2 4.3Å; L151-L164 HydrophobicContact CG-CG 4.22Å; L157-L164 HydrophobicContact CD1-CD1 3.69Å; L157-L164 HydrophobicContact CD1-CD2 3.82Å; L157-L164 HydrophobicContact CD1-CG 4.44Å; L159-L164 HydrophobicContact CD1-CD1 4.15Å; S160-L164 PolarHBondContact O-N 2.94Å; L164-Y167 PolarHBondContact O-N 3.1Å; L164-H168 WeakPolarHBondContact O-CB 3.36Å; L164-H168 PolarHBondContact O-N 3.22Å |
| 165 | K | 90.8 | Very high | 89.9 | Confident | 115 Ų | 115 | 79.9 Ų | 79.9 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 172.9 | -73.5 | 173.8 | -175.5 | 175.6 | 0 | 112.5 | L151 P161 P162 R163 H168 A169 Y223 | L151-K165 HydrophobicContact CD2-CG 4.09Å; P161-K165 VanDerWaalsContact O-CG 3.31Å; P161-K165 WeakPolarHBondContact O-CG 3.49Å; P161-K165 PolarHBondContact O-N 3.29Å; P161-K165 VanDerWaalsContact O-N 3.09Å; P162-K165 PolarHBondContact O-N 3.3Å; R163-K165 VanDerWaalsContact C-N 3.33Å; R163-K165 PolarHBondContact O-N 2.86Å; K165-H168 PolarHBondContact O-N 2.98Å; K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.13Å; K165-Y223 HydrophobicContact CB-CE1 4.36Å |
| 166 | L | 91.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -51 | 174.8 | 172.8 | 65.9 | 0 | 0 | 0 | 110.7 | P162 R163 H168 A169 T170 Y223 | P162-L166 PolarHBondContact O-N 3.3Å; R163-L166 WeakPolarHBondContact O-CB 3.33Å; R163-L166 PolarHBondContact O-N 2.65Å; L166-H168 PolarHBondContact O-N 2.89Å; L166-A169 PolarHBondContact O-N 2.92Å; L166-T170 PolarHBondContact O-N 2.66Å; L166-T170 PolarHBondContact O-OG1 2.93Å; L166-T170 VanDerWaalsContact O-OG1 3.11Å; L166-Y223 HydrophobicContact CB-CD1 4.22Å; L166-Y223 HydrophobicContact CD1-CD1 3.86Å; L166-Y223 HydrophobicContact CD1-CG 3.97Å |
| 167 | Y | 91.9 | Very high | 91.9 | Very high | 120 Ų | 120 | 67 Ų | 67 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 179 | -64.8 | -17.8 | 0 | 0 | 0 | 112 | L159 R163 L164 A169 T170 C171 | L159-Y167 HydrophobicContact CD1-CD2 4.48Å; L159-Y167 HydrophobicContact CD1-CE2 4.37Å; R163-Y167 PolarHBondContact O-N 3.4Å; L164-Y167 PolarHBondContact O-N 3.1Å; Y167-A169 VanDerWaalsContact C-N 3.31Å; Y167-A169 PolarHBondContact O-N 3.3Å; Y167-T170 PolarHBondContact O-N 3.32Å; Y167-C171 VanDerWaalsContact O-CB 3.3Å; Y167-C171 WeakPolarHBondContact O-CB 3.43Å; Y167-C171 PolarHBondContact O-N 3.5Å; Y167-C171 PolarHBondContact O-SG 3.28Å; Y167-C171 VanDerWaalsContact O-SG 3.32Å |
| 168 | H | 94.9 | Very high | 92.8 | Very high | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 175.4 | 177.4 | 79.1 | 0 | 0 | 0 | 112.1 | Q144 L151 L164 K165 L166 G172 | Q144-H168 PolarHBondContact NE2-CE1 3Å; Q144-H168 VanDerWaalsContact NE2-CE1 3.25Å; Q144-H168 PolarHBondContact NE2-ND1 2.7Å; Q144-H168 PolarHBondContact NE2-O 3.41Å; L151-H168 HydrophobicContact CD1-CB 3.92Å; L164-H168 WeakPolarHBondContact O-CB 3.36Å; L164-H168 PolarHBondContact O-N 3.22Å; K165-H168 PolarHBondContact O-N 2.98Å; L166-H168 PolarHBondContact O-N 2.89Å; H168-G172 PolarHBondContact O-N 3.11Å |
| 169 | A | 95.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K165 L166 Y167 G172 L173 I219 Y223 | K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.13Å; L166-A169 PolarHBondContact O-N 2.92Å; Y167-A169 VanDerWaalsContact C-N 3.31Å; Y167-A169 PolarHBondContact O-N 3.3Å; A169-G172 PolarHBondContact O-N 3.43Å; A169-L173 PolarHBondContact O-N 3.46Å; A169-I219 HydrophobicContact CB-CG2 4.18Å; A169-Y223 HydrophobicContact CB-CD2 3.83Å; A169-Y223 HydrophobicContact CB-CE1 4.49Å; A169-Y223 HydrophobicContact CB-CE2 3.37Å |
| 170 | T | 94.5 | Very high | 94.3 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.7 | -47.4 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | L166 Y167 G172 L173 V174 | L166-T170 PolarHBondContact O-N 2.66Å; L166-T170 PolarHBondContact O-OG1 2.93Å; L166-T170 VanDerWaalsContact O-OG1 3.11Å; Y167-T170 PolarHBondContact O-N 3.32Å; T170-G172 VanDerWaalsContact C-N 3.28Å; T170-G172 PolarHBondContact O-N 3.3Å; T170-L173 WeakPolarHBondContact O-CB 3.39Å; T170-L173 PolarHBondContact O-N 2.8Å; T170-V174 WeakPolarHBondContact O-CG2 3.44Å; T170-V174 PolarHBondContact O-N 2.91Å |
| 171 | C | 96.3 | Very high | 94.9 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 43% | 0.432 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 174.4 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | Y167 L173 V174 V175 | Y167-C171 VanDerWaalsContact O-CB 3.3Å; Y167-C171 WeakPolarHBondContact O-CB 3.43Å; Y167-C171 PolarHBondContact O-N 3.5Å; Y167-C171 PolarHBondContact O-SG 3.28Å; Y167-C171 VanDerWaalsContact O-SG 3.32Å; C171-L173 VanDerWaalsContact C-N 3.34Å; C171-L173 PolarHBondContact O-N 2.7Å; C171-V174 PolarHBondContact O-N 3.32Å; C171-V175 WeakPolarHBondContact O-CG2 2.86Å; C171-V175 PolarHBondContact O-N 3.42Å |
| 172 | G | 97.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 53 Ų | 53 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H168 A169 T170 V175 Y176 | H168-G172 PolarHBondContact O-N 3.11Å; A169-G172 PolarHBondContact O-N 3.43Å; T170-G172 VanDerWaalsContact C-N 3.28Å; T170-G172 PolarHBondContact O-N 3.3Å; G172-V175 PolarHBondContact O-N 3Å; G172-Y176 PolarHBondContact O-N 3.37Å |
| 173 | L | 97.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 172.8 | 177.9 | 58.8 | 0 | 0 | 0 | 111.3 | A169 T170 C171 V175 Y176 L177 I215 M216 I219 | A169-L173 PolarHBondContact O-N 3.46Å; T170-L173 WeakPolarHBondContact O-CB 3.39Å; T170-L173 PolarHBondContact O-N 2.8Å; C171-L173 VanDerWaalsContact C-N 3.34Å; C171-L173 PolarHBondContact O-N 2.7Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 3.49Å; L173-Y176 WeakPolarHBondContact O-CB 3.31Å; L173-Y176 PolarHBondContact O-N 2.79Å; L173-L177 HydrophobicContact CD1-CD1 4.26Å; L173-L177 HydrophobicContact CD1-CD2 4.5Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 4.2Å; L173-L177 HydrophobicContact CG-CG 4.46Å; L173-L177 WeakPolarHBondContact O-CG 3.39Å; L173-L177 PolarHBondContact O-N 3.17Å; L173-I215 HydrophobicContact CD1-CG2 4.06Å; L173-M216 HydrophobicContact CD1-CB 4.03Å; L173-M216 HydrophobicContact CD1-CG 4.46Å; L173-M216 HydrophobicContact CD2-CG 4.25Å; L173-I219 HydrophobicContact CB-CD1 3.81Å; L173-I219 HydrophobicContact CB-CG2 4.47Å; L173-I219 HydrophobicContact CD1-CD1 4.24Å; L173-I219 HydrophobicContact CD2-CB 4.46Å; L173-I219 HydrophobicContact CD2-CG2 4.29Å; L173-I219 HydrophobicContact CG-CD1 4.48Å |
| 174 | V | 98.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.9 | -44.3 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | T170 C171 Y176 L177 L178 | T170-V174 WeakPolarHBondContact O-CG2 3.44Å; T170-V174 PolarHBondContact O-N 2.91Å; C171-V174 PolarHBondContact O-N 3.32Å; V174-Y176 VanDerWaalsContact C-N 3.33Å; V174-Y176 PolarHBondContact O-N 3.46Å; V174-L177 PolarHBondContact O-N 3.29Å; V174-L178 WeakPolarHBondContact O-CB 3.22Å; V174-L178 PolarHBondContact O-N 3.45Å |
| 175 | V | 98.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | A140 Q144 C171 G172 L173 L178 A179 | A140-V175 HydrophobicContact CB-CG2 3.94Å; Q144-V175 HydrophobicContact CB-CG2 3.9Å; Q144-V175 HydrophobicContact CG-CG2 4.24Å; C171-V175 WeakPolarHBondContact O-CG2 2.86Å; C171-V175 PolarHBondContact O-N 3.42Å; G172-V175 PolarHBondContact O-N 3Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 3.49Å; V175-L178 PolarHBondContact O-N 2.87Å; V175-A179 WeakPolarHBondContact O-CB 3.23Å; V175-A179 PolarHBondContact O-N 3.47Å |
| 176 | Y | 98.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.9 | -169.9 | -87.3 | 0 | 0 | 0 | 112.4 | L70 T71 I74 G172 L173 V174 A179 T180 P211 A212 I215 | L70-Y176 HydrophobicContact CD2-CD2 3.83Å; L70-Y176 HydrophobicContact CD2-CE2 4.38Å; L70-Y176 HydrophobicContact CG-CD2 3.8Å; L70-Y176 HydrophobicContact CG-CE2 4.18Å; T71-Y176 WeakPolarHBondContact OG1-CE2 3.44Å; T71-Y176 PolarHBondContact OG1-OH 2.96Å; I74-Y176 HydrophobicContact CD1-CD2 3.46Å; I74-Y176 VanDerWaalsContact CD1-CD2 3.46Å; I74-Y176 HydrophobicContact CD1-CE2 4.24Å; I74-Y176 HydrophobicContact CD1-CG 4.03Å; G172-Y176 PolarHBondContact O-N 3.37Å; L173-Y176 WeakPolarHBondContact O-CB 3.31Å; L173-Y176 PolarHBondContact O-N 2.79Å; V174-Y176 VanDerWaalsContact C-N 3.33Å; V174-Y176 PolarHBondContact O-N 3.46Å; Y176-A179 PolarHBondContact O-N 3.38Å; Y176-T180 PolarHBondContact O-N 2.93Å; Y176-T180 PolarHBondContact O-OG1 3.4Å; Y176-P211 WeakPolarHBondContact OH-CB 3.28Å; Y176-A212 HydrophobicContact CD1-CB 4.27Å; Y176-A212 HydrophobicContact CE1-CB 3.8Å; Y176-I215 HydrophobicContact CD1-CD1 4.23Å; Y176-I215 HydrophobicContact CD1-CG2 4.26Å; Y176-I215 HydrophobicContact CD2-CD1 3.91Å; Y176-I215 HydrophobicContact CE1-CB 4.49Å; Y176-I215 HydrophobicContact CE1-CD1 3.77Å; Y176-I215 HydrophobicContact CE2-CD1 3.39Å; Y176-I215 HydrophobicContact CG-CD1 4.29Å; Y176-I215 HydrophobicContact CG-CG2 4.31Å |
| 177 | L | 98.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 37 Ų | 37 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.6 | -41.2 | 177.3 | -66 | 177 | 0 | 0 | 0 | 111.2 | L173 V174 A179 T180 V181 A212 | L173-L177 HydrophobicContact CD1-CD1 4.26Å; L173-L177 HydrophobicContact CD1-CD2 4.5Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 4.2Å; L173-L177 HydrophobicContact CG-CG 4.46Å; L173-L177 WeakPolarHBondContact O-CG 3.39Å; L173-L177 PolarHBondContact O-N 3.17Å; V174-L177 PolarHBondContact O-N 3.29Å; L177-A179 PolarHBondContact O-N 2.84Å; L177-T180 WeakPolarHBondContact O-CB 3.38Å; L177-T180 PolarHBondContact O-N 3.34Å; L177-V181 WeakPolarHBondContact O-CG2 3.25Å; L177-V181 PolarHBondContact O-N 3.12Å; L177-A212 HydrophobicContact CD2-CB 4.17Å |
| 178 | L | 98.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.1 | -178.9 | 61.5 | 0 | 0 | 0 | 111.4 | L133 T137 A140 V174 V175 T180 V181 T182 | L133-L178 HydrophobicContact CD2-CD1 4.43Å; T137-L178 WeakPolarHBondContact OG1-CG 3.37Å; A140-L178 HydrophobicContact CB-CD2 4.18Å; V174-L178 WeakPolarHBondContact O-CB 3.22Å; V174-L178 PolarHBondContact O-N 3.45Å; V175-L178 PolarHBondContact O-N 2.87Å; L178-T180 VanDerWaalsContact C-N 3.31Å; L178-T180 PolarHBondContact O-N 3.41Å; L178-V181 PolarHBondContact O-N 3.29Å; L178-T182 PolarHBondContact O-N 2.9Å; L178-T182 PolarHBondContact O-OG1 3.33Å; L178-T182 VanDerWaalsContact O-OG1 3.1Å |
| 179 | A | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y66 L70 T137 V175 Y176 L177 T182 V183 | Y66-A179 HydrophobicContact CD1-CB 3.71Å; Y66-A179 HydrophobicContact CE1-CB 4.37Å; Y66-A179 HydrophobicContact CG-CB 4.36Å; L70-A179 HydrophobicContact CD2-CB 4.02Å; T137-A179 HydrophobicContact CG2-CB 3.75Å; V175-A179 WeakPolarHBondContact O-CB 3.23Å; V175-A179 PolarHBondContact O-N 3.47Å; Y176-A179 PolarHBondContact O-N 3.38Å; L177-A179 PolarHBondContact O-N 2.84Å; A179-T182 WeakPolarHBondContact O-CB 3.48Å; A179-T182 PolarHBondContact O-N 2.96Å; A179-V183 WeakPolarHBondContact O-CG2 3.41Å; A179-V183 PolarHBondContact O-N 3.44Å |
| 180 | T | 98.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.4 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | Y176 L177 L178 T182 V183 V184 P208 L209 A212 | Y176-T180 PolarHBondContact O-N 2.93Å; Y176-T180 PolarHBondContact O-OG1 3.4Å; L177-T180 WeakPolarHBondContact O-CB 3.38Å; L177-T180 PolarHBondContact O-N 3.34Å; L178-T180 VanDerWaalsContact C-N 3.31Å; L178-T180 PolarHBondContact O-N 3.41Å; T180-T182 VanDerWaalsContact C-N 3.31Å; T180-T182 PolarHBondContact O-N 2.85Å; T180-V183 PolarHBondContact O-N 3.17Å; T180-V184 WeakPolarHBondContact O-CB 3.42Å; T180-V184 WeakPolarHBondContact O-CG2 3.38Å; T180-V184 PolarHBondContact O-N 2.99Å; T180-P208 HydrophobicContact CG2-CB 4.28Å; T180-L209 HydrophobicContact CG2-CD2 3.95Å; T180-A212 HydrophobicContact CG2-CB 4.06Å |
| 181 | V | 98.6 | Very high | 97.7 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 48% | 0.479 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 175 | 172.7 | 0 | 0 | 0 | 0 | 111 | L133 L177 L178 V184 S185 | L133-V181 HydrophobicContact CD1-CG1 4.24Å; L177-V181 WeakPolarHBondContact O-CG2 3.25Å; L177-V181 PolarHBondContact O-N 3.12Å; L178-V181 PolarHBondContact O-N 3.29Å; V181-V184 PolarHBondContact O-N 3.38Å; V181-S185 WeakPolarHBondContact O-CB 3.48Å; V181-S185 PolarHBondContact O-N 3.34Å |
| 182 | T | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -44 | 176.7 | -65.9 | 0 | 0 | 0 | 0 | 112 | H130 L133 T137 L178 A179 T180 S185 A186 | H130-T182 PolarHBondContact ND1-O 3.29Å; L133-T182 PolarHBondContact O-OG1 3.03Å; T137-T182 PolarHBondContact OG1-OG1 3.25Å; L178-T182 PolarHBondContact O-N 2.9Å; L178-T182 PolarHBondContact O-OG1 3.33Å; L178-T182 VanDerWaalsContact O-OG1 3.1Å; A179-T182 WeakPolarHBondContact O-CB 3.48Å; A179-T182 PolarHBondContact O-N 2.96Å; T180-T182 VanDerWaalsContact C-N 3.31Å; T180-T182 PolarHBondContact O-N 2.85Å; T182-S185 PolarHBondContact O-N 2.91Å; T182-S185 PolarHBondContact O-OG 3.33Å; T182-A186 PolarHBondContact O-N 3.49Å; T182-A186 VanDerWaalsContact O-N 3.12Å |
| 183 | V | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 174.7 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | I67 A179 T180 S185 A186 M187 P208 | I67-V183 HydrophobicContact CD1-CG1 3.88Å; I67-V183 HydrophobicContact CD1-CG2 4.34Å; I67-V183 HydrophobicContact CG1-CG1 4.2Å; I67-V183 HydrophobicContact CG1-CG2 3.98Å; A179-V183 WeakPolarHBondContact O-CG2 3.41Å; A179-V183 PolarHBondContact O-N 3.44Å; T180-V183 PolarHBondContact O-N 3.17Å; V183-S185 VanDerWaalsContact C-N 3.31Å; V183-S185 PolarHBondContact O-N 3.49Å; V183-A186 WeakPolarHBondContact O-CB 3.41Å; V183-A186 PolarHBondContact O-N 2.88Å; V183-M187 HydrophobicContact CG1-CE 3.74Å; V183-M187 WeakPolarHBondContact O-CE 3.5Å; V183-P208 HydrophobicContact CG1-CB 4.29Å; V183-P208 HydrophobicContact CG1-CG 4Å |
| 184 | V | 98.3 | Very high | 97.7 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 176.8 | 166.4 | 0 | 0 | 0 | 0 | 111.1 | T180 V181 A186 M187 F188 L205 L209 | T180-V184 WeakPolarHBondContact O-CB 3.42Å; T180-V184 WeakPolarHBondContact O-CG2 3.38Å; T180-V184 PolarHBondContact O-N 2.99Å; V181-V184 PolarHBondContact O-N 3.38Å; V184-A186 PolarHBondContact O-N 2.89Å; V184-M187 WeakPolarHBondContact O-CB 3.33Å; V184-M187 WeakPolarHBondContact O-CG 3.49Å; V184-M187 PolarHBondContact O-N 3.39Å; V184-M187 VanDerWaalsContact O-N 3.09Å; V184-F188 HydrophobicContact CG1-CE2 4.2Å; V184-F188 VanDerWaalsContact O-CD2 3.3Å; V184-F188 WeakPolarHBondContact O-CD2 3.36Å; V184-L205 HydrophobicContact CG1-CD1 3.75Å; V184-L209 HydrophobicContact CG2-CD2 4.14Å |
| 185 | S | 98.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -29.1 | 177.1 | 77.6 | 0 | 0 | 0 | 0 | 112.8 | H130 V181 T182 V183 M187 F188 | H130-S185 PolarHBondContact ND1-OG 3.25Å; H130-S185 VanDerWaalsContact ND1-OG 3.14Å; V181-S185 WeakPolarHBondContact O-CB 3.48Å; V181-S185 PolarHBondContact O-N 3.34Å; T182-S185 PolarHBondContact O-N 2.91Å; T182-S185 PolarHBondContact O-OG 3.33Å; V183-S185 VanDerWaalsContact C-N 3.31Å; V183-S185 PolarHBondContact O-N 3.49Å; S185-M187 PolarHBondContact O-N 3.45Å; S185-F188 PolarHBondContact O-N 2.9Å |
| 186 | A | 97.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -27.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H130 T182 V183 V184 F188 S189 F192 | H130-A186 VanDerWaalsContact CE1-CB 3.41Å; H130-A186 WeakPolarHBondContact CE1-CB 3.5Å; T182-A186 PolarHBondContact O-N 3.49Å; T182-A186 VanDerWaalsContact O-N 3.12Å; V183-A186 WeakPolarHBondContact O-CB 3.41Å; V183-A186 PolarHBondContact O-N 2.88Å; V184-A186 PolarHBondContact O-N 2.89Å; A186-F188 PolarHBondContact O-N 3.45Å; A186-S189 VanDerWaalsContact O-CB 3.25Å; A186-S189 WeakPolarHBondContact O-CB 3.34Å; A186-S189 PolarHBondContact O-N 2.88Å; A186-S189 PolarHBondContact O-OG 2.88Å; A186-F192 WeakPolarHBondContact O-CB 3.48Å |
| 187 | M | 97.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.9 | 178.4 | -49.6 | -55.7 | 142.9 | 0 | 0 | 112.6 | V183 V184 S185 F192 W201 F204 L205 | V183-M187 HydrophobicContact CG1-CE 3.74Å; V183-M187 WeakPolarHBondContact O-CE 3.5Å; V184-M187 WeakPolarHBondContact O-CB 3.33Å; V184-M187 WeakPolarHBondContact O-CG 3.49Å; V184-M187 PolarHBondContact O-N 3.39Å; V184-M187 VanDerWaalsContact O-N 3.09Å; S185-M187 PolarHBondContact O-N 3.45Å; M187-F192 VanDerWaalsContact CA-CD1 3.48Å; M187-F192 HydrophobicContact CB-CD1 3.88Å; M187-F192 HydrophobicContact CB-CE1 4Å; M187-F192 HydrophobicContact CB-CG 4.48Å; M187-F192 HydrophobicContact CE-CE2 4.46Å; M187-F192 HydrophobicContact CG-CD1 4.49Å; M187-F192 HydrophobicContact CG-CE1 4.3Å; M187-F192 VanDerWaalsContact O-CD1 3.3Å; M187-F192 WeakPolarHBondContact O-CD1 3.45Å; M187-F192 HydrophobicContact SD-CD1 3.86Å; M187-F192 HydrophobicContact SD-CD2 3.73Å; M187-F192 HydrophobicContact SD-CE1 3.52Å; M187-F192 VanDerWaalsContact SD-CE1 3.52Å; M187-F192 HydrophobicContact SD-CE2 3.41Å; M187-F192 WeakPolarHBondContact SD-CE2 3.46Å; M187-F192 HydrophobicContact SD-CG 3.95Å; M187-F192 HydrophobicContact SD-CZ 3.29Å; M187-F192 WeakPolarHBondContact SD-CZ 3.43Å; M187-W201 HydrophobicContact CB-CZ2 4.36Å; M187-W201 PolarHBondContact O-NE1 2.98Å; M187-F204 HydrophobicContact SD-CB 4.11Å; M187-L205 HydrophobicContact CB-CD1 4.47Å |
| 188 | F | 97.1 | Very high | 97.2 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 0.1 | 174.9 | -59.7 | -91 | 0 | 0 | 0 | 113.2 | V184 S185 A186 W201 L205 | V184-F188 HydrophobicContact CG1-CE2 4.2Å; V184-F188 VanDerWaalsContact O-CD2 3.3Å; V184-F188 WeakPolarHBondContact O-CD2 3.36Å; S185-F188 PolarHBondContact O-N 2.9Å; A186-F188 PolarHBondContact O-N 3.45Å; F188-W201 HydrophobicContact CD1-CH2 4.27Å; F188-W201 AromaticContact CD1-CZ2 3.93Å; F188-W201 HydrophobicContact CD1-CZ2 3.93Å; F188-W201 AromaticContact CE1-CH2 3.53Å; F188-W201 HydrophobicContact CE1-CH2 3.53Å; F188-W201 AromaticContact CE1-CZ2 3.65Å; F188-W201 HydrophobicContact CE1-CZ2 3.65Å; F188-W201 HydrophobicContact CE2-CH2 4.44Å; F188-W201 HydrophobicContact CE2-CZ2 4.35Å; F188-W201 HydrophobicContact CG-CZ2 4.4Å; F188-W201 AromaticContact CZ-CH2 3.63Å; F188-W201 HydrophobicContact CZ-CH2 3.63Å; F188-W201 AromaticContact CZ-CZ2 3.88Å; F188-W201 HydrophobicContact CZ-CZ2 3.88Å; F188-L205 HydrophobicContact CE2-CD1 3.6Å; F188-L205 HydrophobicContact CZ-CD1 3.72Å |
| 189 | S | 96.1 | Very high | 97 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -68.2 | 150.9 | 174.3 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | A186 W191 F192 Q193 | A186-S189 VanDerWaalsContact O-CB 3.25Å; A186-S189 WeakPolarHBondContact O-CB 3.34Å; A186-S189 PolarHBondContact O-N 2.88Å; A186-S189 PolarHBondContact O-OG 2.88Å; S189-W191 PolarHBondContact O-N 2.89Å; S189-F192 PolarHBondContact O-N 2.96Å; S189-F192 VanDerWaalsContact O-N 3.1Å; S189-F192 WeakPolarHBondContact OG-CB 3.3Å; S189-F192 PolarHBondContact OG-N 3.34Å; S189-Q193 PolarHBondContact O-N 2.9Å |
| 190 | D | 94.9 | Very high | 96.9 | Very high | 148 Ų | 148 | 56.8 Ų | 56.8 | 79% | 0.791 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.2 | -41.1 | 177.7 | -60.2 | -26.5 | 0 | 0 | 0 | 111.8 | A194 | D190-A194 VanDerWaalsContact O-CB 3.23Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 3.16Å |
| 191 | W | 95.4 | Very high | 96.8 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 26% | 0.261 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 177.8 | 172.5 | 78.3 | 0 | 0 | 0 | 111.9 | F55 P59 S189 A194 T195 | F55-W191 HydrophobicContact CD1-CG 4.35Å; F55-W191 HydrophobicContact CE1-CB 3.91Å; F55-W191 AromaticContact CE1-CD1 3.58Å; F55-W191 AromaticContact CE1-CD2 3.56Å; F55-W191 HydrophobicContact CE1-CD2 3.56Å; F55-W191 AromaticContact CE1-CE2 3.93Å; F55-W191 HydrophobicContact CE1-CE3 4.16Å; F55-W191 AromaticContact CE1-CG 3.36Å; F55-W191 HydrophobicContact CE1-CG 3.36Å; F55-W191 AromaticContact CE1-NE1 3.89Å; F55-W191 HydrophobicContact CZ-CB 4Å; F55-W191 HydrophobicContact CZ-CD2 4.08Å; F55-W191 HydrophobicContact CZ-CE3 4.32Å; F55-W191 AromaticContact CZ-CG 3.9Å; F55-W191 HydrophobicContact CZ-CG 3.9Å; P59-W191 HydrophobicContact CB-CH2 4.09Å; P59-W191 HydrophobicContact CB-CZ3 4.05Å; P59-W191 HydrophobicContact CG-CH2 4.01Å; P59-W191 HydrophobicContact CG-CZ2 4.4Å; P59-W191 HydrophobicContact CG-CZ3 4.22Å; S189-W191 PolarHBondContact O-N 2.89Å; W191-A194 PolarHBondContact O-N 3.42Å; W191-T195 HydrophobicContact CZ2-CG2 4.44Å; W191-T195 WeakPolarHBondContact O-CB 3.3Å; W191-T195 PolarHBondContact O-N 3.18Å; W191-T195 PolarHBondContact O-OG1 3.36Å |
| 192 | F | 97.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.1 | -43.5 | -177 | -167.6 | -90.2 | 0 | 0 | 0 | 111 | A186 M187 S189 A194 T195 V196 W201 F204 | A186-F192 WeakPolarHBondContact O-CB 3.48Å; M187-F192 VanDerWaalsContact CA-CD1 3.48Å; M187-F192 HydrophobicContact CB-CD1 3.88Å; M187-F192 HydrophobicContact CB-CE1 4Å; M187-F192 HydrophobicContact CB-CG 4.48Å; M187-F192 HydrophobicContact CE-CE2 4.46Å; M187-F192 HydrophobicContact CG-CD1 4.49Å; M187-F192 HydrophobicContact CG-CE1 4.3Å; M187-F192 VanDerWaalsContact O-CD1 3.3Å; M187-F192 WeakPolarHBondContact O-CD1 3.45Å; M187-F192 HydrophobicContact SD-CD1 3.86Å; M187-F192 HydrophobicContact SD-CD2 3.73Å; M187-F192 HydrophobicContact SD-CE1 3.52Å; M187-F192 VanDerWaalsContact SD-CE1 3.52Å; M187-F192 HydrophobicContact SD-CE2 3.41Å; M187-F192 WeakPolarHBondContact SD-CE2 3.46Å; M187-F192 HydrophobicContact SD-CG 3.95Å; M187-F192 HydrophobicContact SD-CZ 3.29Å; M187-F192 WeakPolarHBondContact SD-CZ 3.43Å; S189-F192 PolarHBondContact O-N 2.96Å; S189-F192 VanDerWaalsContact O-N 3.1Å; S189-F192 WeakPolarHBondContact OG-CB 3.3Å; S189-F192 PolarHBondContact OG-N 3.34Å; F192-A194 VanDerWaalsContact C-N 3.27Å; F192-A194 PolarHBondContact O-N 2.98Å; F192-T195 PolarHBondContact O-N 2.99Å; F192-V196 HydrophobicContact CD1-CB 4.43Å; F192-V196 HydrophobicContact CE1-CB 3.84Å; F192-V196 HydrophobicContact CE1-CG1 4.37Å; F192-V196 HydrophobicContact CE1-CG2 4.09Å; F192-V196 HydrophobicContact CE2-CG2 4.02Å; F192-V196 HydrophobicContact CZ-CB 3.95Å; F192-V196 HydrophobicContact CZ-CG1 4.41Å; F192-V196 HydrophobicContact CZ-CG2 3.69Å; F192-V196 PolarHBondContact O-N 3.41Å; F192-W201 AromaticContact CD1-CD1 3.78Å; F192-W201 AromaticContact CD1-NE1 3.76Å; F192-W201 AromaticContact CE1-CD1 3.58Å; F192-W201 AromaticContact CE1-NE1 3.87Å; F192-F204 HydrophobicContact CE1-CB 4.11Å; F192-F204 HydrophobicContact CE1-CG 4.45Å; F192-F204 HydrophobicContact CE2-CD1 4.22Å; F192-F204 HydrophobicContact CE2-CG 4.4Å; F192-F204 HydrophobicContact CZ-CB 3.6Å; F192-F204 AromaticContact CZ-CD1 3.83Å; F192-F204 HydrophobicContact CZ-CD1 3.83Å; F192-F204 HydrophobicContact CZ-CD2 4.03Å; F192-F204 HydrophobicContact CZ-CE1 4.49Å; F192-F204 AromaticContact CZ-CG 3.57Å; F192-F204 HydrophobicContact CZ-CG 3.57Å |
| 193 | Q | 97 | Very high | 96.6 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 175.8 | -71.5 | -147.3 | 8.6 | 0 | 0 | 112 | S189 T195 K197 | S189-Q193 PolarHBondContact O-N 2.9Å; Q193-T195 VanDerWaalsContact C-N 3.29Å; Q193-K197 WeakPolarHBondContact O-CD 3.46Å; Q193-K197 WeakPolarHBondContact O-CE 3.27Å; Q193-K197 PolarHBondContact O-NZ 3.08Å |
| 194 | A | 96.8 | Very high | 96.5 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 60% | 0.603 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.7 | -29.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D190 W191 F192 | D190-A194 VanDerWaalsContact O-CB 3.23Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 3.16Å; W191-A194 PolarHBondContact O-N 3.42Å; F192-A194 VanDerWaalsContact C-N 3.27Å; F192-A194 PolarHBondContact O-N 2.98Å |
| 195 | T | 96.9 | Very high | 96.4 | Very high | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -87.3 | -40.4 | -173.7 | -56.6 | 0 | 0 | 0 | 0 | 113.2 | L47 W191 F192 Q193 | L47-T195 HydrophobicContact CB-CG2 4.08Å; L47-T195 HydrophobicContact CD2-CG2 4.14Å; W191-T195 HydrophobicContact CZ2-CG2 4.44Å; W191-T195 WeakPolarHBondContact O-CB 3.3Å; W191-T195 PolarHBondContact O-N 3.18Å; W191-T195 PolarHBondContact O-OG1 3.36Å; F192-T195 PolarHBondContact O-N 2.99Å; Q193-T195 VanDerWaalsContact C-N 3.29Å |
| 196 | V | 97.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 65.8 Ų | 65.8 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | trans | -122.8 | 126.9 | -174.8 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | L47 F192 V200 W201 F204 | L47-V196 HydrophobicContact CD1-CG2 3.71Å; F192-V196 HydrophobicContact CD1-CB 4.43Å; F192-V196 HydrophobicContact CE1-CB 3.84Å; F192-V196 HydrophobicContact CE1-CG1 4.37Å; F192-V196 HydrophobicContact CE1-CG2 4.09Å; F192-V196 HydrophobicContact CE2-CG2 4.02Å; F192-V196 HydrophobicContact CZ-CB 3.95Å; F192-V196 HydrophobicContact CZ-CG1 4.41Å; F192-V196 HydrophobicContact CZ-CG2 3.69Å; F192-V196 PolarHBondContact O-N 3.41Å; V196-V200 HydrophobicContact CG1-CB 4.25Å; V196-V200 HydrophobicContact CG1-CG1 3.98Å; V196-W201 HydrophobicContact CG1-CB 4.18Å; V196-F204 HydrophobicContact CG1-CD2 3.98Å; V196-F204 HydrophobicContact CG1-CE2 4.17Å; V196-F204 HydrophobicContact CG2-CE2 4.32Å | ||
| 197 | K | 93.8 | Very high | 96.4 | Very high | 138 Ų | 138 | 67.7 Ų | 67.7 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | trans | -127.9 | 163.6 | -174.7 | -60.8 | -64.5 | -168.4 | -174.8 | 0 | 112.3 | Q193 | Q193-K197 WeakPolarHBondContact O-CD 3.46Å; Q193-K197 WeakPolarHBondContact O-CE 3.27Å; Q193-K197 PolarHBondContact O-NZ 3.08Å | ||
| 198 | G | 95.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 67.8 Ų | 67.8 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -151.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | V200 W201 | G198-V200 PolarHBondContact O-N 2.97Å; G198-V200 VanDerWaalsContact O-N 3.16Å; G198-W201 WeakPolarHBondContact O-CB 3.14Å; G198-W201 PolarHBondContact O-N 2.91Å; G198-W201 VanDerWaalsContact O-N 3.1Å |
| 199 | V | 95 | Very high | 96.4 | Very high | 128 Ų | 128 | 66 Ų | 66 | 78% | 0.776 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.1 | -29.4 | -175.5 | -78.6 | 0 | 0 | 0 | 0 | 114.2 | W201 Y202 | V199-W201 VanDerWaalsContact C-N 3.26Å; V199-W201 PolarHBondContact O-N 3.46Å; V199-Y202 PolarHBondContact O-N 3.05Å |
| 200 | V | 95.4 | Very high | 96.5 | Very high | 81 Ų | 81 | 68 Ų | 68 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -30.2 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | V196 G198 Y202 A203 F204 | V196-V200 HydrophobicContact CG1-CB 4.25Å; V196-V200 HydrophobicContact CG1-CG1 3.98Å; G198-V200 PolarHBondContact O-N 2.97Å; G198-V200 VanDerWaalsContact O-N 3.16Å; V200-Y202 VanDerWaalsContact C-N 3.29Å; V200-Y202 PolarHBondContact O-N 2.58Å; V200-A203 WeakPolarHBondContact O-CB 3.28Å; V200-A203 PolarHBondContact O-N 3.37Å; V200-A203 VanDerWaalsContact O-N 3.09Å; V200-F204 HydrophobicContact CG1-CD2 4.06Å; V200-F204 HydrophobicContact CG1-CE2 3.84Å; V200-F204 WeakPolarHBondContact O-CD2 3.45Å; V200-F204 PolarHBondContact O-N 3.46Å |
| 201 | W | 97.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.6 | -179.2 | 92.5 | 0 | 0 | 0 | 112 | M187 F188 F192 V196 G198 V199 A203 F204 L205 | M187-W201 HydrophobicContact CB-CZ2 4.36Å; M187-W201 PolarHBondContact O-NE1 2.98Å; F188-W201 HydrophobicContact CD1-CH2 4.27Å; F188-W201 AromaticContact CD1-CZ2 3.93Å; F188-W201 HydrophobicContact CD1-CZ2 3.93Å; F188-W201 AromaticContact CE1-CH2 3.53Å; F188-W201 HydrophobicContact CE1-CH2 3.53Å; F188-W201 AromaticContact CE1-CZ2 3.65Å; F188-W201 HydrophobicContact CE1-CZ2 3.65Å; F188-W201 HydrophobicContact CE2-CH2 4.44Å; F188-W201 HydrophobicContact CE2-CZ2 4.35Å; F188-W201 HydrophobicContact CG-CZ2 4.4Å; F188-W201 AromaticContact CZ-CH2 3.63Å; F188-W201 HydrophobicContact CZ-CH2 3.63Å; F188-W201 AromaticContact CZ-CZ2 3.88Å; F188-W201 HydrophobicContact CZ-CZ2 3.88Å; F192-W201 AromaticContact CD1-CD1 3.78Å; F192-W201 AromaticContact CD1-NE1 3.76Å; F192-W201 AromaticContact CE1-CD1 3.58Å; F192-W201 AromaticContact CE1-NE1 3.87Å; V196-W201 HydrophobicContact CG1-CB 4.18Å; G198-W201 WeakPolarHBondContact O-CB 3.14Å; G198-W201 PolarHBondContact O-N 2.91Å; G198-W201 VanDerWaalsContact O-N 3.1Å; V199-W201 VanDerWaalsContact C-N 3.26Å; V199-W201 PolarHBondContact O-N 3.46Å; W201-A203 VanDerWaalsContact C-N 3.28Å; W201-A203 PolarHBondContact O-N 3.18Å; W201-F204 PolarHBondContact O-N 3.03Å; W201-L205 HydrophobicContact CH2-CD1 3.88Å; W201-L205 HydrophobicContact CH2-CD2 3.94Å; W201-L205 HydrophobicContact CH2-CG 4.36Å; W201-L205 HydrophobicContact CZ2-CD1 4.23Å; W201-L205 HydrophobicContact CZ3-CB 4.39Å; W201-L205 HydrophobicContact CZ3-CD1 4.45Å; W201-L205 HydrophobicContact CZ3-CD2 3.81Å; W201-L205 HydrophobicContact CZ3-CG 4.46Å; W201-L205 PolarHBondContact O-N 2.69Å |
| 202 | Y | 97 | Very high | 96.8 | Very high | 140 Ų | 140 | 58.2 Ų | 58.2 | 55% | 0.549 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.1 | -30.2 | 177 | -63.2 | -80.1 | 0 | 0 | 0 | 112.6 | V199 V200 L205 L206 | V199-Y202 PolarHBondContact O-N 3.05Å; V200-Y202 VanDerWaalsContact C-N 3.29Å; V200-Y202 PolarHBondContact O-N 2.58Å; Y202-L205 WeakPolarHBondContact O-CB 3.14Å; Y202-L205 PolarHBondContact O-N 3.08Å; Y202-L206 WeakPolarHBondContact O-CB 3.08Å; Y202-L206 VanDerWaalsContact O-CG 3.29Å; Y202-L206 WeakPolarHBondContact O-CG 3.19Å; Y202-L206 PolarHBondContact O-N 3.16Å |
| 203 | A | 96.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V200 W201 L205 L206 L207 | V200-A203 WeakPolarHBondContact O-CB 3.28Å; V200-A203 PolarHBondContact O-N 3.37Å; V200-A203 VanDerWaalsContact O-N 3.09Å; W201-A203 VanDerWaalsContact C-N 3.28Å; W201-A203 PolarHBondContact O-N 3.18Å; A203-L205 VanDerWaalsContact C-N 3.26Å; A203-L205 PolarHBondContact O-N 3.08Å; A203-L206 PolarHBondContact O-N 3.3Å; A203-L207 HydrophobicContact CB-CD1 4.37Å; A203-L207 VanDerWaalsContact O-CB 3.29Å; A203-L207 WeakPolarHBondContact O-CB 3.28Å; A203-L207 WeakPolarHBondContact O-CD1 3.48Å; A203-L207 WeakPolarHBondContact O-CG 3.45Å; A203-L207 PolarHBondContact O-N 3.03Å |
| 204 | F | 96.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 5% | 0.053 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -31 | 175.1 | -80.1 | -87.9 | 0 | 0 | 0 | 113.3 | L40 L43 I44 L47 M187 F192 V196 V200 W201 P208 | L40-F204 HydrophobicContact CD2-CD1 3.89Å; L40-F204 HydrophobicContact CD2-CE1 4.11Å; L43-F204 HydrophobicContact CB-CE1 4.1Å; L43-F204 HydrophobicContact CB-CZ 3.99Å; L43-F204 HydrophobicContact CD1-CZ 4.23Å; I44-F204 HydrophobicContact CG1-CD1 4.49Å; I44-F204 HydrophobicContact CG1-CE1 4.1Å; L47-F204 HydrophobicContact CD1-CE1 4.27Å; L47-F204 HydrophobicContact CD1-CE2 4.3Å; L47-F204 HydrophobicContact CD1-CZ 3.67Å; M187-F204 HydrophobicContact SD-CB 4.11Å; F192-F204 HydrophobicContact CE1-CB 4.11Å; F192-F204 HydrophobicContact CE1-CG 4.45Å; F192-F204 HydrophobicContact CE2-CD1 4.22Å; F192-F204 HydrophobicContact CE2-CG 4.4Å; F192-F204 HydrophobicContact CZ-CB 3.6Å; F192-F204 AromaticContact CZ-CD1 3.83Å; F192-F204 HydrophobicContact CZ-CD1 3.83Å; F192-F204 HydrophobicContact CZ-CD2 4.03Å; F192-F204 HydrophobicContact CZ-CE1 4.49Å; F192-F204 AromaticContact CZ-CG 3.57Å; F192-F204 HydrophobicContact CZ-CG 3.57Å; V196-F204 HydrophobicContact CG1-CD2 3.98Å; V196-F204 HydrophobicContact CG1-CE2 4.17Å; V196-F204 HydrophobicContact CG2-CE2 4.32Å; V200-F204 HydrophobicContact CG1-CD2 4.06Å; V200-F204 HydrophobicContact CG1-CE2 3.84Å; V200-F204 WeakPolarHBondContact O-CD2 3.45Å; V200-F204 PolarHBondContact O-N 3.46Å; W201-F204 PolarHBondContact O-N 3.03Å; F204-P208 WeakPolarHBondContact O-CD 3.26Å; F204-P208 WeakPolarHBondContact O-CG 3.38Å |
| 205 | L | 96.2 | Very high | 96.8 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 174.4 | -170.3 | 78.2 | 0 | 0 | 0 | 112.2 | V184 M187 F188 W201 Y202 A203 | V184-L205 HydrophobicContact CG1-CD1 3.75Å; M187-L205 HydrophobicContact CB-CD1 4.47Å; F188-L205 HydrophobicContact CE2-CD1 3.6Å; F188-L205 HydrophobicContact CZ-CD1 3.72Å; W201-L205 HydrophobicContact CH2-CD1 3.88Å; W201-L205 HydrophobicContact CH2-CD2 3.94Å; W201-L205 HydrophobicContact CH2-CG 4.36Å; W201-L205 HydrophobicContact CZ2-CD1 4.23Å; W201-L205 HydrophobicContact CZ3-CB 4.39Å; W201-L205 HydrophobicContact CZ3-CD1 4.45Å; W201-L205 HydrophobicContact CZ3-CD2 3.81Å; W201-L205 HydrophobicContact CZ3-CG 4.46Å; W201-L205 PolarHBondContact O-N 2.69Å; Y202-L205 WeakPolarHBondContact O-CB 3.14Å; Y202-L205 PolarHBondContact O-N 3.08Å; A203-L205 VanDerWaalsContact C-N 3.26Å; A203-L205 PolarHBondContact O-N 3.08Å |
| 206 | L | 97.1 | Very high | 96.8 | Very high | 103 Ų | 103 | 57.1 Ų | 57.1 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -88.7 | -35 | -170.2 | -66.4 | 174.3 | 0 | 0 | 0 | 113.7 | Y202 A203 P208 L209 | Y202-L206 WeakPolarHBondContact O-CB 3.08Å; Y202-L206 VanDerWaalsContact O-CG 3.29Å; Y202-L206 WeakPolarHBondContact O-CG 3.19Å; Y202-L206 PolarHBondContact O-N 3.16Å; A203-L206 PolarHBondContact O-N 3.3Å; L206-P208 VanDerWaalsContact C-CD 3.49Å; L206-L209 HydrophobicContact CD2-CD1 4.11Å; L206-L209 VanDerWaalsContact O-CB 3.29Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 3.32Å |
| 207 | L | 97.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -41.8 | -175 | -76.3 | 168.8 | 0 | 0 | 0 | 113.8 | I36 L40 A203 L209 F210 P211 | I36-L207 HydrophobicContact CD1-CD2 4.12Å; I36-L207 HydrophobicContact CG1-CD2 4.13Å; I36-L207 HydrophobicContact CG2-CB 4.11Å; I36-L207 HydrophobicContact CG2-CD2 4.38Å; L40-L207 HydrophobicContact CD1-CB 3.79Å; L40-L207 HydrophobicContact CD2-CB 4.04Å; L40-L207 HydrophobicContact CD2-CD1 3.81Å; L40-L207 HydrophobicContact CG-CB 4.19Å; L40-L207 HydrophobicContact CG-CD1 4.43Å; A203-L207 HydrophobicContact CB-CD1 4.37Å; A203-L207 VanDerWaalsContact O-CB 3.29Å; A203-L207 WeakPolarHBondContact O-CB 3.28Å; A203-L207 WeakPolarHBondContact O-CD1 3.48Å; A203-L207 WeakPolarHBondContact O-CG 3.45Å; A203-L207 PolarHBondContact O-N 3.03Å; L207-L209 PolarHBondContact O-N 3.43Å; L207-F210 PolarHBondContact O-N 3.35Å; L207-P211 WeakPolarHBondContact O-CD 3.2Å |
| 208 | P | 97.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.2 | 176.5 | -23.3 | 33.7 | 0 | 0 | 0 | 114.1 | L40 T180 V183 F204 L206 F210 | L40-P208 HydrophobicContact CD1-CG 3.88Å; T180-P208 HydrophobicContact CG2-CB 4.28Å; V183-P208 HydrophobicContact CG1-CB 4.29Å; V183-P208 HydrophobicContact CG1-CG 4Å; F204-P208 WeakPolarHBondContact O-CD 3.26Å; F204-P208 WeakPolarHBondContact O-CG 3.38Å; L206-P208 VanDerWaalsContact C-CD 3.49Å; P208-F210 VanDerWaalsContact C-N 3.3Å; P208-F210 PolarHBondContact O-N 2.99Å |
| 209 | L | 98.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.6 | -28 | -179.3 | -54.5 | 179.6 | 0 | 0 | 0 | 111.9 | T180 V184 L206 L207 A212 L213 | T180-L209 HydrophobicContact CG2-CD2 3.95Å; V184-L209 HydrophobicContact CG2-CD2 4.14Å; L206-L209 HydrophobicContact CD2-CD1 4.11Å; L206-L209 VanDerWaalsContact O-CB 3.29Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 3.32Å; L207-L209 PolarHBondContact O-N 3.43Å; L209-A212 WeakPolarHBondContact O-CB 3.42Å; L209-A212 PolarHBondContact O-N 3.5Å; L209-L213 WeakPolarHBondContact O-CG 3.23Å; L209-L213 PolarHBondContact O-N 3.2Å |
| 210 | F | 98.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.9 | -52.8 | -176.8 | -177.8 | -82.5 | 0 | 0 | 0 | 112.6 | A29 A32 I36 L207 P208 A212 L213 V214 | A29-F210 HydrophobicContact CB-CZ 4.16Å; A29-F210 WeakPolarHBondContact O-CE1 3.45Å; A32-F210 HydrophobicContact CB-CE1 3.65Å; A32-F210 HydrophobicContact CB-CZ 4.01Å; I36-F210 HydrophobicContact CD1-CB 4.05Å; I36-F210 HydrophobicContact CD1-CD1 3.55Å; I36-F210 HydrophobicContact CD1-CE1 4.24Å; I36-F210 HydrophobicContact CD1-CG 3.93Å; L207-F210 PolarHBondContact O-N 3.35Å; P208-F210 VanDerWaalsContact C-N 3.3Å; P208-F210 PolarHBondContact O-N 2.99Å; F210-A212 PolarHBondContact O-N 3.28Å; F210-L213 PolarHBondContact O-N 3.4Å; F210-L213 VanDerWaalsContact O-N 3.15Å; F210-V214 HydrophobicContact CD1-CG2 4.18Å; F210-V214 HydrophobicContact CE1-CG2 3.81Å; F210-V214 HydrophobicContact CZ-CG2 4.28Å; F210-V214 WeakPolarHBondContact O-CG2 3.43Å; F210-V214 PolarHBondContact O-N 3.03Å; F210-V214 VanDerWaalsContact O-N 3.07Å |
| 211 | P | 97.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.2 | -35 | 170.9 | -26.6 | 34.8 | 0 | 0 | 0 | 113.6 | A33 I36 T71 Y176 L207 V214 I215 | A33-P211 HydrophobicContact CB-CB 4.14Å; A33-P211 HydrophobicContact CB-CG 4.28Å; I36-P211 HydrophobicContact CB-CG 4.22Å; I36-P211 HydrophobicContact CG2-CG 3.84Å; T71-P211 HydrophobicContact CG2-CB 4.1Å; Y176-P211 WeakPolarHBondContact OH-CB 3.28Å; L207-P211 WeakPolarHBondContact O-CD 3.2Å; P211-V214 PolarHBondContact O-N 2.93Å; P211-I215 WeakPolarHBondContact O-CB 3.48Å; P211-I215 PolarHBondContact O-N 3.39Å |
| 212 | A | 98.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y176 L177 T180 L209 F210 I215 M216 | Y176-A212 HydrophobicContact CD1-CB 4.27Å; Y176-A212 HydrophobicContact CE1-CB 3.8Å; L177-A212 HydrophobicContact CD2-CB 4.17Å; T180-A212 HydrophobicContact CG2-CB 4.06Å; L209-A212 WeakPolarHBondContact O-CB 3.42Å; L209-A212 PolarHBondContact O-N 3.5Å; F210-A212 PolarHBondContact O-N 3.28Å; A212-I215 PolarHBondContact O-N 2.83Å; A212-M216 VanDerWaalsContact O-CB 3.22Å; A212-M216 WeakPolarHBondContact O-CB 3.34Å; A212-M216 PolarHBondContact O-N 3.4Å |
| 213 | L | 97.5 | Very high | 94.8 | Very high | 103 Ų | 103 | 46.9 Ų | 46.9 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 174 | -68.2 | 174.5 | 0 | 0 | 0 | 111.7 | L209 F210 M216 N217 | L209-L213 WeakPolarHBondContact O-CG 3.23Å; L209-L213 PolarHBondContact O-N 3.2Å; F210-L213 PolarHBondContact O-N 3.4Å; F210-L213 VanDerWaalsContact O-N 3.15Å; L213-M216 HydrophobicContact CD2-CE 3.75Å; L213-M216 PolarHBondContact O-N 3.47Å; L213-N217 VanDerWaalsContact O-CB 3.25Å; L213-N217 WeakPolarHBondContact O-CB 3.39Å; L213-N217 PolarHBondContact O-N 2.97Å |
| 214 | V | 96.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | A29 V30 A33 L75 F210 P211 N217 Q218 | A29-V214 HydrophobicContact CB-CG2 4.11Å; V30-V214 HydrophobicContact CG2-CG1 3.87Å; A33-V214 HydrophobicContact CB-CB 4.19Å; A33-V214 HydrophobicContact CB-CG1 4.16Å; A33-V214 HydrophobicContact CB-CG2 4.21Å; L75-V214 HydrophobicContact CD2-CG1 4.11Å; F210-V214 HydrophobicContact CD1-CG2 4.18Å; F210-V214 HydrophobicContact CE1-CG2 3.81Å; F210-V214 HydrophobicContact CZ-CG2 4.28Å; F210-V214 WeakPolarHBondContact O-CG2 3.43Å; F210-V214 PolarHBondContact O-N 3.03Å; F210-V214 VanDerWaalsContact O-N 3.07Å; P211-V214 PolarHBondContact O-N 2.93Å; V214-N217 PolarHBondContact O-N 3.49Å; V214-Q218 WeakPolarHBondContact O-CB 3.48Å; V214-Q218 PolarHBondContact O-N 3.3Å |
| 215 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 178 | -79 | 167.5 | 0 | 0 | 0 | 111.5 | T71 I74 L75 L173 Y176 P211 A212 N217 Q218 I219 | T71-I215 HydrophobicContact CG2-CD1 4.07Å; I74-I215 HydrophobicContact CB-CD1 4.14Å; I74-I215 HydrophobicContact CB-CG1 4.44Å; I74-I215 HydrophobicContact CD1-CD1 4.36Å; I74-I215 HydrophobicContact CD1-CG2 4.4Å; I74-I215 HydrophobicContact CG2-CB 4.47Å; I74-I215 HydrophobicContact CG2-CD1 4.17Å; I74-I215 HydrophobicContact CG2-CG1 3.96Å; I74-I215 HydrophobicContact CG2-CG2 3.78Å; L75-I215 HydrophobicContact CD2-CD1 4.36Å; L75-I215 HydrophobicContact CD2-CG1 3.62Å; L75-I215 HydrophobicContact CG-CD1 4.28Å; L75-I215 HydrophobicContact CG-CG1 4.08Å; L173-I215 HydrophobicContact CD1-CG2 4.06Å; Y176-I215 HydrophobicContact CD1-CD1 4.23Å; Y176-I215 HydrophobicContact CD1-CG2 4.26Å; Y176-I215 HydrophobicContact CD2-CD1 3.91Å; Y176-I215 HydrophobicContact CE1-CB 4.49Å; Y176-I215 HydrophobicContact CE1-CD1 3.77Å; Y176-I215 HydrophobicContact CE2-CD1 3.39Å; Y176-I215 HydrophobicContact CG-CD1 4.29Å; Y176-I215 HydrophobicContact CG-CG2 4.31Å; P211-I215 WeakPolarHBondContact O-CB 3.48Å; P211-I215 PolarHBondContact O-N 3.39Å; A212-I215 PolarHBondContact O-N 2.83Å; I215-N217 VanDerWaalsContact C-N 3.31Å; I215-N217 PolarHBondContact O-N 3.17Å; I215-Q218 WeakPolarHBondContact O-CB 3.42Å; I215-Q218 PolarHBondContact O-N 2.88Å; I215-I219 HydrophobicContact CG2-CD1 3.88Å; I215-I219 WeakPolarHBondContact O-CG1 3.38Å; I215-I219 PolarHBondContact O-N 3.06Å |
| 216 | M | 96.4 | Very high | 90.8 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 174.9 | -177.8 | 176.9 | 70.5 | 0 | 0 | 110.5 | L173 A212 L213 Q218 I219 T220 | L173-M216 HydrophobicContact CD1-CB 4.03Å; L173-M216 HydrophobicContact CD1-CG 4.46Å; L173-M216 HydrophobicContact CD2-CG 4.25Å; A212-M216 VanDerWaalsContact O-CB 3.22Å; A212-M216 WeakPolarHBondContact O-CB 3.34Å; A212-M216 PolarHBondContact O-N 3.4Å; L213-M216 HydrophobicContact CD2-CE 3.75Å; L213-M216 PolarHBondContact O-N 3.47Å; M216-Q218 PolarHBondContact O-N 3.41Å; M216-I219 PolarHBondContact O-N 3.42Å; M216-T220 HydrophobicContact CG-CG2 4.37Å; M216-T220 WeakPolarHBondContact O-CB 3.46Å; M216-T220 VanDerWaalsContact O-CG2 3.3Å; M216-T220 WeakPolarHBondContact O-CG2 3.45Å; M216-T220 PolarHBondContact O-N 3.43Å; M216-T220 PolarHBondContact O-OG1 3.2Å |
| 217 | N | 94 | Very high | 88.6 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 176.3 | -174.2 | 58.1 | 0 | 0 | 0 | 112.1 | L213 V214 I215 T220 N221 | L213-N217 VanDerWaalsContact O-CB 3.25Å; L213-N217 WeakPolarHBondContact O-CB 3.39Å; L213-N217 PolarHBondContact O-N 2.97Å; V214-N217 PolarHBondContact O-N 3.49Å; I215-N217 VanDerWaalsContact C-N 3.31Å; I215-N217 PolarHBondContact O-N 3.17Å; N217-T220 WeakPolarHBondContact CA-OG1 3.45Å; N217-T220 PolarHBondContact O-OG1 3.41Å; N217-N221 VanDerWaalsContact CG-ND2 3.28Å; N217-N221 PolarHBondContact ND2-ND2 3.48Å; N217-N221 VanDerWaalsContact O-CB 3.28Å; N217-N221 WeakPolarHBondContact O-CB 3.36Å; N217-N221 PolarHBondContact O-N 2.86Å; N217-N221 VanDerWaalsContact O-N 3.11Å; N217-N221 PolarHBondContact O-ND2 3.3Å; N217-N221 PolarHBondContact OD1-ND2 3.11Å |
| 218 | Q | 92.9 | Very high | 86.2 | Confident | 21 Ų | 21 | 74.6 Ų | 74.6 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -50.3 | 175.6 | 177.9 | -174.4 | -60.3 | 0 | 0 | 111.5 | I74 S78 V214 I215 M216 A222 | I74-Q218 PolarHBondContact O-NE2 3.17Å; S78-Q218 VanDerWaalsContact CB-OE1 3.26Å; V214-Q218 WeakPolarHBondContact O-CB 3.48Å; V214-Q218 PolarHBondContact O-N 3.3Å; I215-Q218 WeakPolarHBondContact O-CB 3.42Å; I215-Q218 PolarHBondContact O-N 2.88Å; M216-Q218 PolarHBondContact O-N 3.41Å; Q218-A222 WeakPolarHBondContact O-CB 3.3Å; Q218-A222 PolarHBondContact O-N 2.79Å |
| 219 | I | 92.6 | Very high | 83.8 | Confident | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.092 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.8 | -45.4 | -174.8 | -68.3 | 174.3 | 0 | 0 | 0 | 110.6 | I74 A169 L173 I215 M216 N221 A222 Y223 | I74-I219 HydrophobicContact CG2-CD1 4.29Å; A169-I219 HydrophobicContact CB-CG2 4.18Å; L173-I219 HydrophobicContact CB-CD1 3.81Å; L173-I219 HydrophobicContact CB-CG2 4.47Å; L173-I219 HydrophobicContact CD1-CD1 4.24Å; L173-I219 HydrophobicContact CD2-CB 4.46Å; L173-I219 HydrophobicContact CD2-CG2 4.29Å; L173-I219 HydrophobicContact CG-CD1 4.48Å; I215-I219 HydrophobicContact CG2-CD1 3.88Å; I215-I219 WeakPolarHBondContact O-CG1 3.38Å; I215-I219 PolarHBondContact O-N 3.06Å; M216-I219 PolarHBondContact O-N 3.42Å; I219-N221 PolarHBondContact O-N 3.04Å; I219-A222 PolarHBondContact O-N 3.49Å; I219-Y223 HydrophobicContact CG2-CD2 4.23Å; I219-Y223 WeakPolarHBondContact O-CD2 3.42Å; I219-Y223 PolarHBondContact O-N 3.4Å |
| 220 | T | 91.4 | Very high | 81.2 | Confident | 45 Ų | 45 | 83.9 Ų | 83.9 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 178.7 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | M216 N217 A222 Y223 L224 | M216-T220 HydrophobicContact CG-CG2 4.37Å; M216-T220 WeakPolarHBondContact O-CB 3.46Å; M216-T220 VanDerWaalsContact O-CG2 3.3Å; M216-T220 WeakPolarHBondContact O-CG2 3.45Å; M216-T220 PolarHBondContact O-N 3.43Å; M216-T220 PolarHBondContact O-OG1 3.2Å; N217-T220 WeakPolarHBondContact CA-OG1 3.45Å; N217-T220 PolarHBondContact O-OG1 3.41Å; T220-A222 VanDerWaalsContact C-N 3.26Å; T220-A222 PolarHBondContact O-N 2.94Å; T220-Y223 PolarHBondContact O-N 2.95Å; T220-L224 HydrophobicContact CG2-CD1 3.95Å; T220-L224 VanDerWaalsContact O-CB 3.26Å; T220-L224 WeakPolarHBondContact O-CB 3.48Å; T220-L224 PolarHBondContact O-N 3.43Å |
| 221 | N | 87.8 | Confident | 78.5 | Confident | 63 Ų | 63 | 89.7 Ų | 89.7 | 34% | 0.337 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.3 | -25.3 | 177.5 | -76.1 | -51.8 | 0 | 0 | 0 | 114.1 | N217 I219 | N217-N221 VanDerWaalsContact CG-ND2 3.28Å; N217-N221 PolarHBondContact ND2-ND2 3.48Å; N217-N221 VanDerWaalsContact O-CB 3.28Å; N217-N221 WeakPolarHBondContact O-CB 3.36Å; N217-N221 PolarHBondContact O-N 2.86Å; N217-N221 VanDerWaalsContact O-N 3.11Å; N217-N221 PolarHBondContact O-ND2 3.3Å; N217-N221 PolarHBondContact OD1-ND2 3.11Å; I219-N221 PolarHBondContact O-N 3.04Å |
| 222 | A | 87.5 | Confident | 77.5 | Confident | 71 Ų | 71 | 94 Ų | 94 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -80.9 | -25.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q218 I219 T220 | Q218-A222 WeakPolarHBondContact O-CB 3.3Å; Q218-A222 PolarHBondContact O-N 2.79Å; I219-A222 PolarHBondContact O-N 3.49Å; T220-A222 VanDerWaalsContact C-N 3.26Å; T220-A222 PolarHBondContact O-N 2.94Å |
| 223 | Y | 84.3 | Confident | 76.5 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 34% | 0.337 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -127.3 | -20.9 | -168.3 | -73.2 | -77.7 | 0 | 0 | 0 | 115.3 | K165 L166 A169 I219 T220 | K165-Y223 HydrophobicContact CB-CE1 4.36Å; L166-Y223 HydrophobicContact CB-CD1 4.22Å; L166-Y223 HydrophobicContact CD1-CD1 3.86Å; L166-Y223 HydrophobicContact CD1-CG 3.97Å; A169-Y223 HydrophobicContact CB-CD2 3.83Å; A169-Y223 HydrophobicContact CB-CE1 4.49Å; A169-Y223 HydrophobicContact CB-CE2 3.37Å; I219-Y223 HydrophobicContact CG2-CD2 4.23Å; I219-Y223 WeakPolarHBondContact O-CD2 3.42Å; I219-Y223 PolarHBondContact O-N 3.4Å; T220-Y223 PolarHBondContact O-N 2.95Å |
| 224 | L | 76.4 | Confident | 75.3 | Confident | 111 Ų | 111 | 98.3 Ų | 98.3 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -84 | 137.7 | 174.5 | -64.2 | 179.6 | 0 | 0 | 0 | 110.6 | T220 R226 | T220-L224 HydrophobicContact CG2-CD1 3.95Å; T220-L224 VanDerWaalsContact O-CB 3.26Å; T220-L224 WeakPolarHBondContact O-CB 3.48Å; T220-L224 PolarHBondContact O-N 3.43Å; L224-R226 PolarHBondContact O-N 3.09Å |
| 225 | P | 65.6 | Low | 74 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 79% | 0.792 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 131.8 | 175.2 | -18.2 | 29.2 | 0 | 0 | 0 | 110.6 | K227 | P225-K227 PolarHBondContact O-N 3Š|
| 226 | R | 61.9 | Low | 72.6 | Confident | 211 Ų | 211 | 109.6 Ų | 109.6 | 80% | 0.796 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.9 | 165.2 | -67.3 | -174.2 | -177.7 | -175 | 0.4 | 107.7 | L224 K228 | L224-R226 PolarHBondContact O-N 3.09Å; R226-K228 PolarHBondContact O-N 2.96Å; R226-K228 VanDerWaalsContact O-N 3.09Å |
| 227 | K | 50.8 | Low | 71 | Confident | 198 Ų | 198 | 112.1 Ų | 112.1 | 86% | 0.861 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 117.8 | 164.1 | -87.9 | -173.4 | 175.1 | -176.7 | 0 | 106.8 | P225 I229 | P225-K227 PolarHBondContact O-N 3Å; K227-I229 PolarHBondContact O-N 2.84Å; K227-I229 VanDerWaalsContact O-N 3.14Å |
| 228 | K | 46.9 | Very low | 69.4 | Low | 192 Ų | 192 | 115.3 Ų | 115.3 | 84% | 0.835 | 60% | 0.597 | S | S | * | * | trans | -65.5 | 111.8 | 163.2 | -73.8 | -175.2 | 177.9 | -175.7 | 0 | 105.7 | R226 T230 | R226-K228 PolarHBondContact O-N 2.96Å; R226-K228 VanDerWaalsContact O-N 3.09Å; K228-T230 VanDerWaalsContact C-N 3.3Å; K228-T230 PolarHBondContact O-N 3.34Å; K228-T230 VanDerWaalsContact O-N 3.1Å | ||
| 229 | I | 47.4 | Very low | 67.6 | Low | 149 Ų | 149 | 122.5 Ų | 122.5 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | trans | -73.2 | 98 | 164.4 | -57.1 | 174.1 | 0 | 0 | 0 | 104.1 | K227 T231 | K227-I229 PolarHBondContact O-N 2.84Å; K227-I229 VanDerWaalsContact O-N 3.14Å; I229-T231 VanDerWaalsContact C-N 3.34Å; I229-T231 HydrophobicContact CG2-CG2 4.27Å; I229-T231 PolarHBondContact O-N 3.28Å | ||
| 230 | T | 43.3 | Very low | 65.5 | Low | 130 Ų | 130 | 131.3 Ų | 131.3 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | trans | -73.5 | 95.6 | 164.2 | 39.3 | 0 | 0 | 0 | 0 | 106.7 | K228 | K228-T230 VanDerWaalsContact C-N 3.3Å; K228-T230 PolarHBondContact O-N 3.34Å; K228-T230 VanDerWaalsContact O-N 3.1Å | ||
| 231 | T | 42.4 | Very low | 63.1 | Low | 197 Ų | 197 | 139.1 Ų | 139.1 | 100% | 1.209 | 72% | 0.718 | S | S | * | * | trans | -80.6 | 0 | 153.5 | 39.7 | 0 | 0 | 0 | 0 | 109.2 | I229 | I229-T231 VanDerWaalsContact C-N 3.34Å; I229-T231 HydrophobicContact CG2-CG2 4.27Å; I229-T231 PolarHBondContact O-N 3.28Å |
Retrieved 231 of 231 residues in 1439.6 ms
(Link to these results)