| 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 | 57.8 | Low | 67.1 | Low | 226 Ų | 226 | 137.8 Ų | 137.8 | 100% | 1.113 | 66% | 0.662 | S | S | * | * | 0 | -31 | 0 | -80.5 | 173.1 | 134.3 | 0 | 0 | 114.1 | F3 K4 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.98Å; M1-K4 PolarHBondContact O-N 3.43Å | |||
| 2 | I | 67.8 | Low | 66.8 | Low | 144 Ų | 144 | 129.9 Ų | 129.9 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.2 | -37.4 | -177.3 | -67.1 | 153.6 | 0 | 0 | 0 | 114.1 | K4 F5 T6 | I2-K4 VanDerWaalsContact C-N 3.33Å; I2-K4 PolarHBondContact O-N 3Å; I2-F5 PolarHBondContact O-N 2.95Å; I2-T6 PolarHBondContact O-N 3.27Å |
| 3 | F | 61.9 | Low | 66.5 | Low | 186 Ų | 186 | 132.5 Ų | 132.5 | 82% | 0.816 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.9 | -29 | -175.3 | -124.5 | -88.1 | 0 | 0 | 0 | 115.1 | M1 T6 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.98Å; F3-T6 PolarHBondContact O-OG1 3.45Å; F3-T6 VanDerWaalsContact O-OG1 3.06Å |
| 4 | K | 63.7 | Low | 66.6 | Low | 177 Ų | 177 | 127.6 Ų | 127.6 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.5 | -33.1 | 178.1 | -76 | -176.1 | 175.4 | 179 | 0 | 111.6 | M1 I2 V8 | M1-K4 PolarHBondContact O-N 3.43Å; I2-K4 VanDerWaalsContact C-N 3.33Å; I2-K4 PolarHBondContact O-N 3Å; K4-V8 WeakPolarHBondContact O-CG2 3.17Å; K4-V8 PolarHBondContact O-N 2.92Å |
| 5 | F | 64 | Low | 66.4 | Low | 143 Ų | 143 | 125 Ų | 125 | 63% | 0.627 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.5 | -41.9 | -178.1 | -172.5 | -105.9 | 0 | 0 | 0 | 111.9 | I2 Y7 V8 L9 | I2-F5 PolarHBondContact O-N 2.95Å; F5-Y7 VanDerWaalsContact C-N 3.3Å; F5-Y7 PolarHBondContact O-N 2.96Å; F5-V8 PolarHBondContact O-N 3.22Å; F5-L9 HydrophobicContact CD1-CD1 3.74Å; F5-L9 HydrophobicContact CD1-CG 4.44Å; F5-L9 HydrophobicContact CE1-CD1 3.33Å; F5-L9 HydrophobicContact CE1-CG 4.13Å; F5-L9 HydrophobicContact CZ-CD1 3.9Å; F5-L9 HydrophobicContact CZ-CG 4.31Å; F5-L9 PolarHBondContact O-N 2.85Å; F5-L9 VanDerWaalsContact O-N 3.12Å |
| 6 | T | 72 | Confident | 65.8 | Low | 73 Ų | 73 | 121 Ų | 121 | 45% | 0.448 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.8 | -37.2 | 177 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | I2 F3 L9 L10 | I2-T6 PolarHBondContact O-N 3.27Å; F3-T6 PolarHBondContact O-OG1 3.45Å; F3-T6 VanDerWaalsContact O-OG1 3.06Å; T6-L9 PolarHBondContact O-N 3.31Å; T6-L10 WeakPolarHBondContact O-CB 3.45Å; T6-L10 PolarHBondContact O-N 3Å |
| 7 | Y | 67.1 | Low | 65.7 | Low | 134 Ų | 134 | 119.6 Ų | 119.6 | 53% | 0.525 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -40.8 | 177.8 | -173 | -102.3 | 0 | 0 | 0 | 113.2 | F5 L10 K11 | F5-Y7 VanDerWaalsContact C-N 3.3Å; F5-Y7 PolarHBondContact O-N 2.96Å; Y7-L10 PolarHBondContact O-N 3.06Å; Y7-K11 HydrophobicContact CD1-CD 4.27Å; Y7-K11 HydrophobicContact CE1-CD 3.6Å; Y7-K11 HydrophobicContact CE1-CG 4.32Å; Y7-K11 VanDerWaalsContact CZ-CE 3.44Å; Y7-K11 PolarHBondContact O-N 3.33Å; Y7-K11 WeakPolarHBondContact OH-CE 3.05Å; Y7-K11 PolarHBondContact OH-NZ 3.4Å |
| 8 | V | 69.8 | Low | 65.4 | Low | 101 Ų | 101 | 117.6 Ų | 117.6 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.6 | -43.2 | 177.4 | 175 | 0 | 0 | 0 | 0 | 110.8 | K4 F5 K11 G12 | K4-V8 WeakPolarHBondContact O-CG2 3.17Å; K4-V8 PolarHBondContact O-N 2.92Å; F5-V8 PolarHBondContact O-N 3.22Å; V8-K11 PolarHBondContact O-N 3.44Å; V8-G12 PolarHBondContact O-N 3.34Å |
| 9 | L | 71.8 | Confident | 64.9 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 53% | 0.534 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.3 | -42.5 | 175.7 | -74.1 | 176.5 | 0 | 0 | 0 | 112 | F5 T6 G12 Y13 | F5-L9 HydrophobicContact CD1-CD1 3.74Å; F5-L9 HydrophobicContact CD1-CG 4.44Å; F5-L9 HydrophobicContact CE1-CD1 3.33Å; F5-L9 HydrophobicContact CE1-CG 4.13Å; F5-L9 HydrophobicContact CZ-CD1 3.9Å; F5-L9 HydrophobicContact CZ-CG 4.31Å; F5-L9 PolarHBondContact O-N 2.85Å; F5-L9 VanDerWaalsContact O-N 3.12Å; T6-L9 PolarHBondContact O-N 3.31Å; L9-G12 PolarHBondContact O-N 3.29Å; L9-Y13 WeakPolarHBondContact O-CB 3.49Å; L9-Y13 PolarHBondContact O-N 3.09Å |
| 10 | L | 76.9 | Confident | 64.5 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.4 | -44.4 | 178.8 | -169.5 | 64.4 | 0 | 0 | 0 | 111.4 | T6 Y7 Y13 T14 | T6-L10 WeakPolarHBondContact O-CB 3.45Å; T6-L10 PolarHBondContact O-N 3Å; Y7-L10 PolarHBondContact O-N 3.06Å; L10-Y13 PolarHBondContact O-N 3.43Å; L10-T14 WeakPolarHBondContact O-CG2 3.38Å; L10-T14 PolarHBondContact O-N 2.93Å; L10-T14 PolarHBondContact O-OG1 3.01Å |
| 11 | K | 65.7 | Low | 64.2 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 50% | 0.504 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -46.7 | 174.4 | -88.1 | -172.4 | 164 | 174.5 | 0 | 112 | Y7 V8 Y13 T14 V15 | Y7-K11 HydrophobicContact CD1-CD 4.27Å; Y7-K11 HydrophobicContact CE1-CD 3.6Å; Y7-K11 HydrophobicContact CE1-CG 4.32Å; Y7-K11 VanDerWaalsContact CZ-CE 3.44Å; Y7-K11 PolarHBondContact O-N 3.33Å; Y7-K11 WeakPolarHBondContact OH-CE 3.05Å; Y7-K11 PolarHBondContact OH-NZ 3.4Å; V8-K11 PolarHBondContact O-N 3.44Å; K11-Y13 VanDerWaalsContact C-N 3.32Å; K11-Y13 PolarHBondContact O-N 2.95Å; K11-T14 WeakPolarHBondContact CA-OG1 3.46Å; K11-T14 PolarHBondContact O-N 2.98Å; K11-T14 PolarHBondContact O-OG1 3.11Å; K11-V15 WeakPolarHBondContact O-CG2 3.37Å; K11-V15 PolarHBondContact O-N 3.39Å; K11-V15 VanDerWaalsContact O-N 3.1Å |
| 12 | G | 63.3 | Low | 64 | Low | 43 Ų | 43 | 108.8 Ų | 108.8 | 44% | 0.443 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.4 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V8 L9 V15 A16 | V8-G12 PolarHBondContact O-N 3.34Å; L9-G12 PolarHBondContact O-N 3.29Å; G12-V15 PolarHBondContact O-N 2.72Å; G12-A16 PolarHBondContact O-N 3.48Å |
| 13 | Y | 63.4 | Low | 63.3 | Low | 163 Ų | 163 | 103.2 Ų | 103.2 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 177.9 | -165.4 | -94.4 | 0 | 0 | 0 | 112.3 | L9 L10 K11 V15 A16 L17 | L9-Y13 WeakPolarHBondContact O-CB 3.49Å; L9-Y13 PolarHBondContact O-N 3.09Å; L10-Y13 PolarHBondContact O-N 3.43Å; K11-Y13 VanDerWaalsContact C-N 3.32Å; K11-Y13 PolarHBondContact O-N 2.95Å; Y13-V15 PolarHBondContact O-N 3.36Å; Y13-A16 PolarHBondContact O-N 3.12Å; Y13-L17 WeakPolarHBondContact O-CB 3.4Å; Y13-L17 PolarHBondContact O-N 3Å |
| 14 | T | 68 | Low | 62.6 | Low | 64 Ų | 64 | 103.8 Ų | 103.8 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | L10 K11 L17 I18 | L10-T14 WeakPolarHBondContact O-CG2 3.38Å; L10-T14 PolarHBondContact O-N 2.93Å; L10-T14 PolarHBondContact O-OG1 3.01Å; K11-T14 WeakPolarHBondContact CA-OG1 3.46Å; K11-T14 PolarHBondContact O-N 2.98Å; K11-T14 PolarHBondContact O-OG1 3.11Å; T14-L17 PolarHBondContact O-N 2.79Å; T14-I18 WeakPolarHBondContact O-CD1 3.39Å; T14-I18 VanDerWaalsContact O-CG1 3.22Å; T14-I18 WeakPolarHBondContact O-CG1 3.22Å; T14-I18 PolarHBondContact O-N 3.38Å |
| 15 | V | 62.4 | Low | 61.8 | Low | 89 Ų | 89 | 98.2 Ų | 98.2 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | K11 G12 Y13 L17 I18 E19 | K11-V15 WeakPolarHBondContact O-CG2 3.37Å; K11-V15 PolarHBondContact O-N 3.39Å; K11-V15 VanDerWaalsContact O-N 3.1Å; G12-V15 PolarHBondContact O-N 2.72Å; Y13-V15 PolarHBondContact O-N 3.36Å; V15-L17 VanDerWaalsContact C-N 3.3Å; V15-L17 PolarHBondContact O-N 3.4Å; V15-I18 PolarHBondContact O-N 2.92Å; V15-E19 PolarHBondContact O-N 3.26Å |
| 16 | A | 57.1 | Low | 60.9 | Low | 61 Ų | 61 | 95.8 Ų | 95.8 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G12 Y13 A20 | G12-A16 PolarHBondContact O-N 3.48Å; Y13-A16 PolarHBondContact O-N 3.12Å; A16-A20 VanDerWaalsContact O-CB 3.24Å; A16-A20 WeakPolarHBondContact O-CB 3.31Å; A16-A20 PolarHBondContact O-N 3.04Å |
| 17 | L | 63.7 | Low | 59.2 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.3 | -39 | 177.6 | -164.6 | 73.6 | 0 | 0 | 0 | 112.2 | Y13 T14 V15 A20 T21 | Y13-L17 WeakPolarHBondContact O-CB 3.4Å; Y13-L17 PolarHBondContact O-N 3Å; T14-L17 PolarHBondContact O-N 2.79Å; V15-L17 VanDerWaalsContact C-N 3.3Å; V15-L17 PolarHBondContact O-N 3.4Å; L17-A20 PolarHBondContact O-N 3.1Å; L17-T21 WeakPolarHBondContact O-CB 3.37Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.3Å; L17-T21 PolarHBondContact O-N 3.02Å; L17-T21 PolarHBondContact O-OG1 3.28Å |
| 18 | I | 61.8 | Low | 58 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 176.1 | -68.5 | 163.6 | 0 | 0 | 0 | 110.7 | T14 V15 T21 R22 | T14-I18 WeakPolarHBondContact O-CD1 3.39Å; T14-I18 VanDerWaalsContact O-CG1 3.22Å; T14-I18 WeakPolarHBondContact O-CG1 3.22Å; T14-I18 PolarHBondContact O-N 3.38Å; V15-I18 PolarHBondContact O-N 2.92Å; I18-T21 WeakPolarHBondContact CA-OG1 3.46Å; I18-T21 PolarHBondContact O-N 3.44Å; I18-T21 PolarHBondContact O-OG1 3.36Å; I18-R22 WeakPolarHBondContact O-CB 3.45Å; I18-R22 VanDerWaalsContact O-CG 3.31Å; I18-R22 WeakPolarHBondContact O-CG 3.42Å; I18-R22 PolarHBondContact O-N 3.47Å |
| 19 | E | 55.9 | Low | 56.5 | Low | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 177.3 | -72.2 | -58.8 | 136.4 | 0 | 0 | 112 | V15 T21 R22 G23 | V15-E19 PolarHBondContact O-N 3.26Å; E19-T21 VanDerWaalsContact C-N 3.35Å; E19-T21 PolarHBondContact O-N 2.78Å; E19-R22 PolarHBondContact O-N 3.37Å; E19-R22 IonicContact OE1-NH1 3.05Å; E19-R22 PolarHBondContact OE1-NH1 2.94Å; E19-G23 PolarHBondContact O-N 3.37Å |
| 20 | A | 56.7 | Low | 55 | Low | 58 Ų | 58 | 106.9 Ų | 106.9 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A16 L17 R24 | A16-A20 VanDerWaalsContact O-CB 3.24Å; A16-A20 WeakPolarHBondContact O-CB 3.31Å; A16-A20 PolarHBondContact O-N 3.04Å; L17-A20 PolarHBondContact O-N 3.1Å; A20-R24 WeakPolarHBondContact O-CB 3.24Å; A20-R24 PolarHBondContact O-N 3.39Å |
| 21 | T | 58.1 | Low | 53.3 | Low | 82 Ų | 82 | 106.4 Ų | 106.4 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 176.2 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | L17 I18 E19 R24 A25 | L17-T21 WeakPolarHBondContact O-CB 3.37Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.3Å; L17-T21 PolarHBondContact O-N 3.02Å; L17-T21 PolarHBondContact O-OG1 3.28Å; I18-T21 WeakPolarHBondContact CA-OG1 3.46Å; I18-T21 PolarHBondContact O-N 3.44Å; I18-T21 PolarHBondContact O-OG1 3.36Å; E19-T21 VanDerWaalsContact C-N 3.35Å; E19-T21 PolarHBondContact O-N 2.78Å; T21-R24 PolarHBondContact O-N 2.96Å; T21-A25 VanDerWaalsContact O-CB 3.3Å; T21-A25 WeakPolarHBondContact O-CB 3.25Å; T21-A25 PolarHBondContact O-N 3.05Å |
| 22 | R | 53.9 | Low | 51.9 | Low | 151 Ų | 151 | 104.6 Ų | 104.6 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.8 | -46.1 | 170.6 | -76.4 | 175.3 | 171.9 | 177.3 | -4.4 | 111.7 | I18 E19 A25 V26 | I18-R22 WeakPolarHBondContact O-CB 3.45Å; I18-R22 VanDerWaalsContact O-CG 3.31Å; I18-R22 WeakPolarHBondContact O-CG 3.42Å; I18-R22 PolarHBondContact O-N 3.47Å; E19-R22 PolarHBondContact O-N 3.37Å; E19-R22 IonicContact OE1-NH1 3.05Å; E19-R22 PolarHBondContact OE1-NH1 2.94Å; R22-A25 PolarHBondContact O-N 2.95Å; R22-V26 VanDerWaalsContact O-CG2 3.29Å; R22-V26 WeakPolarHBondContact O-CG2 3.29Å; R22-V26 PolarHBondContact O-N 3.41Å |
| 23 | G | 51.4 | Low | 50.7 | Low | 28 Ų | 28 | 111.9 Ų | 111.9 | 29% | 0.289 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -54.5 | -54.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | E19 A25 V26 W27 | E19-G23 PolarHBondContact O-N 3.37Å; G23-A25 VanDerWaalsContact C-N 3.33Å; G23-A25 PolarHBondContact O-N 2.8Å; G23-V26 WeakPolarHBondContact O-CB 3.33Å; G23-V26 PolarHBondContact O-N 2.88Å; G23-V26 VanDerWaalsContact O-N 3.12Å; G23-W27 VanDerWaalsContact C-CD1 3.48Å; G23-W27 PolarHBondContact O-N 3.4Å |
| 24 | R | 47.3 | Very low | 49.4 | Very low | 198 Ų | 198 | 109.5 Ų | 109.5 | 75% | 0.747 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.3 | -34.9 | 178.2 | -94.6 | -178.1 | 178.8 | 162.3 | 1.1 | 114.2 | A20 T21 V26 W27 R28 | A20-R24 WeakPolarHBondContact O-CB 3.24Å; A20-R24 PolarHBondContact O-N 3.39Å; T21-R24 PolarHBondContact O-N 2.96Å; R24-V26 VanDerWaalsContact C-N 3.34Å; R24-W27 PolarHBondContact O-N 3.36Å; R24-R28 PolarHBondContact O-N 2.94Å |
| 25 | A | 47.3 | Very low | 48 | Very low | 60 Ų | 60 | 117.6 Ų | 117.6 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T21 R22 G23 W27 R28 H29 | T21-A25 VanDerWaalsContact O-CB 3.3Å; T21-A25 WeakPolarHBondContact O-CB 3.25Å; T21-A25 PolarHBondContact O-N 3.05Å; R22-A25 PolarHBondContact O-N 2.95Å; G23-A25 VanDerWaalsContact C-N 3.33Å; G23-A25 PolarHBondContact O-N 2.8Å; A25-W27 VanDerWaalsContact C-N 3.31Å; A25-W27 PolarHBondContact O-N 3.42Å; A25-R28 PolarHBondContact O-N 2.94Å; A25-H29 PolarHBondContact O-N 2.87Å |
| 26 | V | 45 | Very low | 47 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -38 | 172 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | R22 G23 R24 H29 L30 | R22-V26 VanDerWaalsContact O-CG2 3.29Å; R22-V26 WeakPolarHBondContact O-CG2 3.29Å; R22-V26 PolarHBondContact O-N 3.41Å; G23-V26 WeakPolarHBondContact O-CB 3.33Å; G23-V26 PolarHBondContact O-N 2.88Å; G23-V26 VanDerWaalsContact O-N 3.12Å; R24-V26 VanDerWaalsContact C-N 3.34Å; V26-H29 PolarHBondContact O-N 2.92Å; V26-L30 HydrophobicContact CG1-CD1 4.21Å; V26-L30 WeakPolarHBondContact O-CG 3.3Å; V26-L30 PolarHBondContact O-N 2.9Å |
| 27 | W | 36.7 | Very low | 46.4 | Very low | 178 Ų | 178 | 121.3 Ų | 121.3 | 67% | 0.674 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.6 | -38.5 | 175.3 | -67.9 | 106.8 | 0 | 0 | 0 | 113 | G23 R24 A25 H29 L30 S31 | G23-W27 VanDerWaalsContact C-CD1 3.48Å; G23-W27 PolarHBondContact O-N 3.4Å; R24-W27 PolarHBondContact O-N 3.36Å; A25-W27 VanDerWaalsContact C-N 3.31Å; A25-W27 PolarHBondContact O-N 3.42Å; W27-H29 VanDerWaalsContact C-N 3.29Å; W27-H29 PolarHBondContact O-N 2.82Å; W27-L30 HydrophobicContact CE3-CD1 4.46Å; W27-L30 PolarHBondContact O-N 2.84Å; W27-L30 VanDerWaalsContact O-N 3.11Å; W27-S31 PolarHBondContact O-N 3.29Å; W27-S31 VanDerWaalsContact O-N 3.16Å; W27-S31 PolarHBondContact O-OG 3.21Å |
| 28 | R | 41.1 | Very low | 45.7 | Very low | 208 Ų | 208 | 121 Ų | 121 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.7 | -34.9 | 175.4 | -81.5 | -164 | 172.7 | -176.1 | -0.5 | 112.6 | R24 A25 L30 S31 | R24-R28 PolarHBondContact O-N 2.94Å; A25-R28 PolarHBondContact O-N 2.94Å; R28-L30 PolarHBondContact O-N 3.48Å; R28-S31 PolarHBondContact O-N 3.47Å |
| 29 | H | 39.1 | Very low | 44.7 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 73% | 0.731 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.5 | -16.2 | 176.7 | -125.7 | -59.8 | 0 | 0 | 0 | 113.7 | A25 V26 W27 | A25-H29 PolarHBondContact O-N 2.87Å; V26-H29 PolarHBondContact O-N 2.92Å; W27-H29 VanDerWaalsContact C-N 3.29Å; W27-H29 PolarHBondContact O-N 2.82Å |
| 30 | L | 39.4 | Very low | 44.1 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 52% | 0.524 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -87.6 | -19.1 | 172.3 | -71.4 | 162.7 | 0 | 0 | 0 | 112.7 | V26 W27 R28 A32 | V26-L30 HydrophobicContact CG1-CD1 4.21Å; V26-L30 WeakPolarHBondContact O-CG 3.3Å; V26-L30 PolarHBondContact O-N 2.9Å; W27-L30 HydrophobicContact CE3-CD1 4.46Å; W27-L30 PolarHBondContact O-N 2.84Å; W27-L30 VanDerWaalsContact O-N 3.11Å; R28-L30 PolarHBondContact O-N 3.48Å; L30-A32 VanDerWaalsContact C-N 3.28Å; L30-A32 PolarHBondContact O-N 2.73Å |
| 31 | S | 41 | Very low | 43.4 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -10.6 | 176.5 | -42.1 | 0 | 0 | 0 | 0 | 114.1 | W27 R28 | W27-S31 PolarHBondContact O-N 3.29Å; W27-S31 VanDerWaalsContact O-N 3.16Å; W27-S31 PolarHBondContact O-OG 3.21Å; R28-S31 PolarHBondContact O-N 3.47Å |
| 32 | A | 37.6 | Very low | 42.9 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 29.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L30 P34 | L30-A32 VanDerWaalsContact C-N 3.28Å; L30-A32 PolarHBondContact O-N 2.73Å; A32-P34 WeakPolarHBondContact O-CD 3.41Å |
| 33 | R | 37.7 | Very low | 42.6 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | trans | -94.1 | 112 | 168.5 | -72.2 | -164.1 | 177.7 | -149.3 | 0.6 | 110.1 | ||||
| 34 | P | 35.2 | Very low | 42.4 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -76.8 | 147 | -172 | 31.6 | -33.2 | 0 | 0 | 0 | 111.9 | A32 | A32-P34 WeakPolarHBondContact O-CD 3.41Š| ||
| 35 | R | 40.3 | Very low | 42.6 | Very low | 234 Ų | 234 | 136.5 Ų | 136.5 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | trans | 59.4 | 57.4 | 159.2 | -68.6 | -179.4 | 165.7 | 146.9 | -3.2 | 117.2 | D37 | R35-D37 VanDerWaalsContact C-N 3.28Š| ||
| 36 | I | 40.9 | Very low | 42.7 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 52% | 0.523 | 67% | 0.671 | S | S | . | * | trans | -95 | 44.1 | 156.9 | -43.8 | -177.7 | 0 | 0 | 0 | 109.8 | R39 F40 | I36-R39 HydrophobicContact CG2-CB 4.15Å; I36-F40 HydrophobicContact CG2-CD2 4.18Å | ||
| 37 | D | 44.1 | Very low | 42.6 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79.2 | -30.6 | 178.3 | -88.7 | -44.7 | 0 | 0 | 0 | 113 | R35 | R35-D37 VanDerWaalsContact C-N 3.28Å |
| 38 | A | 48.5 | Very low | 42.9 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.2 | -31.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 39 | R | 42.3 | Very low | 43.2 | Very low | 203 Ų | 203 | 126.7 Ų | 126.7 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84.4 | -30.3 | -176 | -73.6 | -174.1 | 158 | -174.8 | -4.6 | 113.3 | I36 A42 L43 | I36-R39 HydrophobicContact CG2-CB 4.15Å; R39-A42 PolarHBondContact O-N 3.38Å; R39-L43 PolarHBondContact O-N 3.03Å |
| 40 | F | 41.6 | Very low | 43.7 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.6 | -35.6 | 179.6 | -115.8 | -86.3 | 0 | 0 | 0 | 112.3 | I36 A42 L43 E44 | I36-F40 HydrophobicContact CG2-CD2 4.18Å; F40-A42 PolarHBondContact O-N 3.42Å; F40-L43 PolarHBondContact O-N 2.81Å; F40-L43 VanDerWaalsContact O-N 3.12Å; F40-E44 PolarHBondContact O-N 3.39Å |
| 41 | R | 42.4 | Very low | 44.1 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 74% | 0.736 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.2 | -24.7 | 174.2 | -75.8 | -165.2 | 177.8 | -152.6 | 0.5 | 114.1 | ||
| 42 | A | 47.5 | Very low | 44.2 | Very low | 57 Ų | 57 | 125.1 Ų | 125.1 | 47% | 0.471 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -76.8 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R39 F40 E44 K45 D46 | R39-A42 PolarHBondContact O-N 3.38Å; F40-A42 PolarHBondContact O-N 3.42Å; A42-E44 VanDerWaalsContact C-N 3.34Å; A42-E44 PolarHBondContact O-N 2.96Å; A42-K45 PolarHBondContact O-N 3.12Å; A42-D46 PolarHBondContact O-N 2.92Å |
| 43 | L | 47.5 | Very low | 44.4 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 57% | 0.571 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72 | -26.1 | 178.8 | -86 | 163.2 | 0 | 0 | 0 | 113.6 | R39 F40 K45 D46 G47 | R39-L43 PolarHBondContact O-N 3.03Å; F40-L43 PolarHBondContact O-N 2.81Å; F40-L43 VanDerWaalsContact O-N 3.12Å; L43-K45 VanDerWaalsContact C-N 3.3Å; L43-K45 PolarHBondContact O-N 3.35Å; L43-D46 PolarHBondContact O-N 3.28Å; L43-G47 PolarHBondContact O-N 2.83Å |
| 44 | E | 48.8 | Very low | 44.6 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.7 | -28.2 | 176.8 | -143 | 172.1 | -162.2 | 0 | 0 | 112.3 | F40 A42 | F40-E44 PolarHBondContact O-N 3.39Å; A42-E44 VanDerWaalsContact C-N 3.34Å; A42-E44 PolarHBondContact O-N 2.96Å |
| 45 | K | 50 | Low | 44.8 | Very low | 174 Ų | 174 | 123.4 Ų | 123.4 | 76% | 0.757 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.6 | -39.8 | 172 | -73.8 | -171.5 | 175.9 | -174.1 | 0 | 112.1 | A42 L43 | A42-K45 PolarHBondContact O-N 3.12Å; L43-K45 VanDerWaalsContact C-N 3.3Å; L43-K45 PolarHBondContact O-N 3.35Å |
| 46 | D | 51.1 | Low | 44.7 | Very low | 100 Ų | 100 | 120 Ų | 120 | 54% | 0.535 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.8 | -28.7 | 179.8 | -63.7 | -11.7 | 0 | 0 | 0 | 112.2 | A42 L43 G48 E49 I50 | A42-D46 PolarHBondContact O-N 2.92Å; L43-D46 PolarHBondContact O-N 3.28Å; D46-G48 VanDerWaalsContact C-N 3.3Å; D46-G48 PolarHBondContact O-N 2.82Å; D46-E49 PolarHBondContact O-N 2.98Å; D46-I50 WeakPolarHBondContact O-CG1 3.43Å |
| 47 | G | 41.2 | Very low | 44.8 | Very low | 35 Ų | 35 | 119 Ų | 119 | 36% | 0.361 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.9 | -29.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L43 E49 I50 A51 | L43-G47 PolarHBondContact O-N 2.83Å; G47-E49 VanDerWaalsContact C-N 3.34Å; G47-E49 PolarHBondContact O-N 2.76Å; G47-I50 PolarHBondContact O-N 2.8Å; G47-A51 PolarHBondContact O-N 2.87Å; G47-A51 VanDerWaalsContact O-N 3.1Å |
| 48 | G | 43.7 | Very low | 44.4 | Very low | 42 Ų | 42 | 116.6 Ų | 116.6 | 43% | 0.433 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.2 | -33.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D46 | D46-G48 VanDerWaalsContact C-N 3.3Å; D46-G48 PolarHBondContact O-N 2.82Å |
| 49 | E | 48 | Very low | 43.8 | Very low | 153 Ų | 153 | 117.6 Ų | 117.6 | 72% | 0.715 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.6 | -34.8 | 174.5 | -81.2 | -169.3 | 151.1 | 0 | 0 | 112.2 | D46 G47 A51 K52 A53 | D46-E49 PolarHBondContact O-N 2.98Å; G47-E49 VanDerWaalsContact C-N 3.34Å; G47-E49 PolarHBondContact O-N 2.76Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 2.89Å; E49-K52 PolarHBondContact O-N 3.36Å; E49-A53 PolarHBondContact O-N 3.48Å; E49-A53 VanDerWaalsContact O-N 3.12Å |
| 50 | I | 48.5 | Very low | 43.6 | Very low | 108 Ų | 108 | 113 Ų | 113 | 55% | 0.554 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.7 | -33.8 | 178.5 | -55.7 | 169.2 | 0 | 0 | 0 | 110.8 | D46 G47 A53 Q54 | D46-I50 WeakPolarHBondContact O-CG1 3.43Å; G47-I50 PolarHBondContact O-N 2.8Å; I50-A53 PolarHBondContact O-N 2.85Å; I50-Q54 PolarHBondContact O-N 3.5Å |
| 51 | A | 47.5 | Very low | 43.4 | Very low | 59 Ų | 59 | 109.8 Ų | 109.8 | 49% | 0.488 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.4 | -37 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G47 E49 Q54 Q55 | G47-A51 PolarHBondContact O-N 2.87Å; G47-A51 VanDerWaalsContact O-N 3.1Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 2.89Å; A51-Q54 PolarHBondContact O-N 3.28Å; A51-Q55 PolarHBondContact O-N 3.47Å; A51-Q55 VanDerWaalsContact O-N 3.16Å |
| 52 | K | 43.1 | Very low | 42.8 | Very low | 161 Ų | 161 | 110.2 Ų | 110.2 | 70% | 0.7 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.6 | -41 | 174.7 | -74.9 | -173.1 | 177.1 | -178.8 | 0 | 112.2 | E49 Q54 Q55 E56 | E49-K52 PolarHBondContact O-N 3.36Å; K52-Q54 VanDerWaalsContact C-N 3.26Å; K52-Q54 PolarHBondContact O-N 3.24Å; K52-Q55 PolarHBondContact O-N 3Å; K52-Q55 VanDerWaalsContact O-N 3.13Å; K52-E56 PolarHBondContact O-N 3.14Å; K52-E56 VanDerWaalsContact O-N 3.15Å |
| 53 | A | 43.5 | Very low | 42.2 | Very low | 51 Ų | 51 | 114.3 Ų | 114.3 | 42% | 0.421 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.6 | -32.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E49 I50 S57 | E49-A53 PolarHBondContact O-N 3.48Å; E49-A53 VanDerWaalsContact O-N 3.12Å; I50-A53 PolarHBondContact O-N 2.85Å; A53-S57 WeakPolarHBondContact O-CB 3.28Å; A53-S57 PolarHBondContact O-N 3.46Å; A53-S57 PolarHBondContact O-OG 3.46Å |
| 54 | Q | 40.2 | Very low | 41.7 | Very low | 140 Ų | 140 | 113.8 Ų | 113.8 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.6 | -31.5 | 173.8 | -78.5 | -158.4 | -26.2 | 0 | 0 | 113.2 | I50 A51 K52 S57 A58 | I50-Q54 PolarHBondContact O-N 3.5Å; A51-Q54 PolarHBondContact O-N 3.28Å; K52-Q54 VanDerWaalsContact C-N 3.26Å; K52-Q54 PolarHBondContact O-N 3.24Å; Q54-S57 PolarHBondContact O-N 2.93Å; Q54-A58 WeakPolarHBondContact O-CB 3.09Å; Q54-A58 PolarHBondContact O-N 3.11Å |
| 55 | Q | 40.4 | Very low | 41 | Very low | 160 Ų | 160 | 115.4 Ų | 115.4 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.7 | -33.6 | 177.6 | -159.4 | 155.6 | 3 | 0 | 0 | 112.4 | A51 K52 | A51-Q55 PolarHBondContact O-N 3.47Å; A51-Q55 VanDerWaalsContact O-N 3.16Å; K52-Q55 PolarHBondContact O-N 3Å; K52-Q55 VanDerWaalsContact O-N 3.13Å |
| 56 | E | 37 | Very low | 39.9 | Very low | 163 Ų | 163 | 115.9 Ų | 115.9 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.6 | -37.2 | 168.8 | -85.5 | -178.8 | 161 | 0 | 0 | 112.3 | K52 A58 S59 | K52-E56 PolarHBondContact O-N 3.14Å; K52-E56 VanDerWaalsContact O-N 3.15Å; E56-A58 VanDerWaalsContact C-N 3.29Å; E56-A58 PolarHBondContact O-N 3.18Å; E56-S59 PolarHBondContact O-N 3.32Å |
| 57 | S | 43.4 | Very low | 38.8 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 57% | 0.566 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.4 | -24.4 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | A53 Q54 S59 | A53-S57 WeakPolarHBondContact O-CB 3.28Å; A53-S57 PolarHBondContact O-N 3.46Å; A53-S57 PolarHBondContact O-OG 3.46Å; Q54-S57 PolarHBondContact O-N 2.93Å; S57-S59 VanDerWaalsContact C-N 3.33Å |
| 58 | A | 35.9 | Very low | 38.4 | Very low | 76 Ų | 76 | 117 Ų | 117 | 63% | 0.628 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.1 | -18.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q54 E56 S60 | Q54-A58 WeakPolarHBondContact O-CB 3.09Å; Q54-A58 PolarHBondContact O-N 3.11Å; E56-A58 VanDerWaalsContact C-N 3.29Å; E56-A58 PolarHBondContact O-N 3.18Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.48Å |
| 59 | S | 36.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -14.2 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 113.9 | E56 S57 | E56-S59 PolarHBondContact O-N 3.32Å; S57-S59 VanDerWaalsContact C-N 3.33Å |
| 60 | S | 37.8 | Very low | 37.7 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -8.1 | -172.4 | -165.3 | 0 | 0 | 0 | 0 | 114.1 | A58 Y62 | A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.48Å; S60-Y62 PolarHBondContact O-N 3.38Å |
| 61 | A | 38.3 | Very low | 37.3 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | trans | -83.8 | 83.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I63 | A61-I63 PolarHBondContact O-N 3.39Å; A61-I63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | Y | 29.4 | Very low | 36.7 | Very low | 205 Ų | 205 | 132.6 Ų | 132.6 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -24.7 | 111.5 | 148.8 | 177.6 | -97.3 | 0 | 0 | 0 | 111.2 | S60 P64 | S60-Y62 PolarHBondContact O-N 3.38Å; Y62-P64 WeakPolarHBondContact O-CD 3.3Å | ||
| 63 | I | 34.5 | Very low | 36.9 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 73% | 0.728 | 69% | 0.69 | S | S | * | * | trans | -73 | 106.2 | 179.1 | -58.4 | 169.3 | 0 | 0 | 0 | 107.2 | A61 K65 | A61-I63 PolarHBondContact O-N 3.39Å; A61-I63 VanDerWaalsContact O-N 3.11Å; I63-K65 PolarHBondContact O-N 3.26Å | ||
| 64 | P | 36.6 | Very low | 37.2 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | trans | -76 | 104.5 | 173 | 10.5 | 7.6 | 0 | 0 | 0 | 106.6 | Y62 | Y62-P64 WeakPolarHBondContact O-CD 3.3Š| ||
| 65 | K | 33.6 | Very low | 37.5 | Very low | 185 Ų | 185 | 124 Ų | 124 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -61.3 | 138.4 | 163.7 | -71.7 | 175.9 | 175.3 | 175.1 | 0 | 108.2 | I63 | I63-K65 PolarHBondContact O-N 3.26Š| ||
| 66 | M | 27.1 | Very low | 37.8 | Very low | 185 Ų | 185 | 118.8 Ų | 118.8 | 91% | 0.911 | 66% | 0.664 | S | S | * | * | trans | 87.6 | 115.2 | 164.4 | -47.7 | -62.5 | -92.6 | 0 | 0 | 117.6 | ||||
| 67 | G | 29.5 | Very low | 38.5 | Very low | 67 Ų | 67 | 116 Ų | 116 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | trans | 110.8 | 93.1 | 135.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 68 | S | 31.6 | Very low | 38.8 | Very low | 92 Ų | 92 | 121.1 Ų | 121.1 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | trans | 84.6 | 111.4 | 156.3 | -53.2 | 0 | 0 | 0 | 0 | 117.8 | W70 | S68-W70 PolarHBondContact O-N 3.29Š| ||
| 69 | P | 45.7 | Very low | 39.5 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -0.9 | -176.4 | -19.9 | 31 | 0 | 0 | 0 | 116.9 | ||
| 70 | W | 32.8 | Very low | 40.2 | Very low | 213 Ų | 213 | 123.1 Ų | 123.1 | 81% | 0.807 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -4.2 | -163.9 | -62.8 | 92.7 | 0 | 0 | 0 | 114.9 | S68 T73 | S68-W70 PolarHBondContact O-N 3.29Å; W70-T73 PolarHBondContact O-OG1 2.93Å |
| 71 | R | 39 | Very low | 40.8 | Very low | 214 Ų | 214 | 120.6 Ų | 120.6 | 81% | 0.808 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -82.5 | -29.2 | 176.3 | -76.5 | -171.3 | 176.8 | -94.3 | 0.7 | 113.4 | T73 S74 | R71-T73 VanDerWaalsContact C-N 3.3Å; R71-T73 PolarHBondContact O-N 2.95Å; R71-S74 PolarHBondContact O-OG 3.44Å |
| 72 | H | 35.5 | Very low | 41.4 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.2 | -11.1 | 178.6 | -76.8 | -79.7 | 0 | 0 | 0 | 114.4 | S74 A75 A76 | H72-S74 VanDerWaalsContact C-N 3.28Å; H72-S74 PolarHBondContact O-N 3.23Å; H72-A75 PolarHBondContact O-N 2.89Å; H72-A76 PolarHBondContact O-N 2.88Å; H72-A76 VanDerWaalsContact O-N 3.14Å |
| 73 | T | 47.3 | Very low | 42.4 | Very low | 56 Ų | 56 | 113.5 Ų | 113.5 | 34% | 0.344 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.6 | -34.6 | 177.4 | -26.6 | 0 | 0 | 0 | 0 | 111.4 | W70 R71 A76 I77 | W70-T73 PolarHBondContact O-OG1 2.93Å; R71-T73 VanDerWaalsContact C-N 3.3Å; R71-T73 PolarHBondContact O-N 2.95Å; T73-A76 PolarHBondContact O-N 3.08Å; T73-I77 HydrophobicContact CG2-CD1 3.9Å; T73-I77 HydrophobicContact CG2-CG1 4.4Å; T73-I77 VanDerWaalsContact O-CB 3.3Å; T73-I77 WeakPolarHBondContact O-CB 3.47Å; T73-I77 WeakPolarHBondContact O-CD1 3.46Å; T73-I77 WeakPolarHBondContact O-CG1 3.14Å; T73-I77 PolarHBondContact O-N 3.41Å |
| 74 | S | 50 | Low | 43.1 | Very low | 67 Ų | 67 | 112.7 Ų | 112.7 | 47% | 0.469 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.9 | -38.5 | -178.7 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | R71 H72 R78 | R71-S74 PolarHBondContact O-OG 3.44Å; H72-S74 VanDerWaalsContact C-N 3.28Å; H72-S74 PolarHBondContact O-N 3.23Å; S74-R78 WeakPolarHBondContact O-CB 3.31Å; S74-R78 VanDerWaalsContact O-CG 3.31Å; S74-R78 WeakPolarHBondContact O-CG 3.42Å; S74-R78 PolarHBondContact O-N 3.16Å |
| 75 | A | 45.4 | Very low | 43.8 | Very low | 48 Ų | 48 | 114.4 Ų | 114.4 | 40% | 0.397 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.4 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H72 I77 R78 L79 | H72-A75 PolarHBondContact O-N 2.89Å; A75-I77 PolarHBondContact O-N 2.86Å; A75-R78 PolarHBondContact O-N 3.43Å; A75-L79 WeakPolarHBondContact O-CG 3.28Å; A75-L79 PolarHBondContact O-N 3.43Å |
| 76 | A | 47.2 | Very low | 44.7 | Very low | 50 Ų | 50 | 110.3 Ų | 110.3 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.3 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H72 T73 R78 L79 V80 | H72-A76 PolarHBondContact O-N 2.88Å; H72-A76 VanDerWaalsContact O-N 3.14Å; T73-A76 PolarHBondContact O-N 3.08Å; A76-R78 VanDerWaalsContact C-N 3.35Å; A76-R78 PolarHBondContact O-N 3.39Å; A76-L79 PolarHBondContact O-N 3.15Å; A76-V80 WeakPolarHBondContact O-CB 3.48Å; A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.31Å; A76-V80 PolarHBondContact O-N 2.93Å |
| 77 | I | 52.5 | Low | 45.7 | Very low | 106 Ų | 106 | 103.1 Ų | 103.1 | 54% | 0.544 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.7 | -43.1 | 175 | -70 | 163.8 | 0 | 0 | 0 | 110.6 | T73 A75 L79 V80 A81 | T73-I77 HydrophobicContact CG2-CD1 3.9Å; T73-I77 HydrophobicContact CG2-CG1 4.4Å; T73-I77 VanDerWaalsContact O-CB 3.3Å; T73-I77 WeakPolarHBondContact O-CB 3.47Å; T73-I77 WeakPolarHBondContact O-CD1 3.46Å; T73-I77 WeakPolarHBondContact O-CG1 3.14Å; T73-I77 PolarHBondContact O-N 3.41Å; A75-I77 PolarHBondContact O-N 2.86Å; I77-L79 PolarHBondContact O-N 2.98Å; I77-V80 PolarHBondContact O-N 3.28Å; I77-A81 VanDerWaalsContact O-CB 3.28Å; I77-A81 WeakPolarHBondContact O-CB 3.47Å; I77-A81 PolarHBondContact O-N 3.4Å |
| 78 | R | 48.4 | Very low | 46.4 | Very low | 188 Ų | 188 | 105.2 Ų | 105.2 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62 | -41.7 | 176.4 | -78 | 176.4 | 177.3 | 175.2 | -0.4 | 112.2 | S74 A75 A76 A81 S82 | S74-R78 WeakPolarHBondContact O-CB 3.31Å; S74-R78 VanDerWaalsContact O-CG 3.31Å; S74-R78 WeakPolarHBondContact O-CG 3.42Å; S74-R78 PolarHBondContact O-N 3.16Å; A75-R78 PolarHBondContact O-N 3.43Å; A76-R78 VanDerWaalsContact C-N 3.35Å; A76-R78 PolarHBondContact O-N 3.39Å; R78-A81 PolarHBondContact O-N 3.3Å; R78-S82 WeakPolarHBondContact O-CB 3.49Å; R78-S82 PolarHBondContact O-N 2.89Å; R78-S82 PolarHBondContact O-OG 3.02Å |
| 79 | L | 50.3 | Low | 47.2 | Very low | 129 Ų | 129 | 107.9 Ų | 107.9 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.4 | -42.7 | 176.7 | -73.3 | 173.6 | 0 | 0 | 0 | 112 | A75 A76 I77 A81 S82 A83 | A75-L79 WeakPolarHBondContact O-CG 3.28Å; A75-L79 PolarHBondContact O-N 3.43Å; A76-L79 PolarHBondContact O-N 3.15Å; I77-L79 PolarHBondContact O-N 2.98Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-S82 PolarHBondContact O-N 3.08Å; L79-A83 VanDerWaalsContact O-CB 3.27Å; L79-A83 WeakPolarHBondContact O-CB 3.27Å; L79-A83 PolarHBondContact O-N 3.11Å |
| 80 | V | 52.5 | Low | 47.1 | Very low | 101 Ų | 101 | 110.2 Ų | 110.2 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 176.2 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | A76 I77 A83 L84 | A76-V80 WeakPolarHBondContact O-CB 3.48Å; A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.31Å; A76-V80 PolarHBondContact O-N 2.93Å; I77-V80 PolarHBondContact O-N 3.28Å; V80-A83 PolarHBondContact O-N 2.97Å; V80-L84 VanDerWaalsContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CB 3.32Å; V80-L84 PolarHBondContact O-N 3.41Å |
| 81 | A | 49.7 | Very low | 47.8 | Very low | 52 Ų | 52 | 109.4 Ų | 109.4 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.4 | -48 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I77 R78 L79 A83 L84 E85 | I77-A81 VanDerWaalsContact O-CB 3.28Å; I77-A81 WeakPolarHBondContact O-CB 3.47Å; I77-A81 PolarHBondContact O-N 3.4Å; R78-A81 PolarHBondContact O-N 3.3Å; L79-A81 VanDerWaalsContact C-N 3.35Å; A81-A83 VanDerWaalsContact C-N 3.35Å; A81-A83 PolarHBondContact O-N 2.92Å; A81-L84 PolarHBondContact O-N 3.45Å; A81-E85 WeakPolarHBondContact O-CB 3.46Å; A81-E85 PolarHBondContact O-N 3.36Å |
| 82 | S | 50.5 | Low | 48 | Very low | 62 Ų | 62 | 100.9 Ų | 100.9 | 43% | 0.434 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 176.5 | -67 | 0 | 0 | 0 | 0 | 112.6 | R78 L79 N86 | R78-S82 WeakPolarHBondContact O-CB 3.49Å; R78-S82 PolarHBondContact O-N 2.89Å; R78-S82 PolarHBondContact O-OG 3.02Å; L79-S82 PolarHBondContact O-N 3.08Å; S82-N86 VanDerWaalsContact O-CB 3.32Å; S82-N86 WeakPolarHBondContact O-CB 3.35Å; S82-N86 VanDerWaalsContact O-CG 3.29Å; S82-N86 PolarHBondContact O-N 2.98Å; S82-N86 PolarHBondContact O-ND2 3.38Å |
| 83 | A | 50.5 | Low | 48.3 | Very low | 66 Ų | 66 | 102.6 Ų | 102.6 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L79 V80 A81 G87 | L79-A83 VanDerWaalsContact O-CB 3.27Å; L79-A83 WeakPolarHBondContact O-CB 3.27Å; L79-A83 PolarHBondContact O-N 3.11Å; V80-A83 PolarHBondContact O-N 2.97Å; A81-A83 VanDerWaalsContact C-N 3.35Å; A81-A83 PolarHBondContact O-N 2.92Å; A83-G87 PolarHBondContact O-N 3.32Å |
| 84 | L | 48.9 | Very low | 48 | Very low | 125 Ų | 125 | 105.8 Ų | 105.8 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.7 | -42.7 | 177.6 | -159.3 | 80.5 | 0 | 0 | 0 | 111.4 | V80 A81 G87 N88 | V80-L84 VanDerWaalsContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CB 3.32Å; V80-L84 PolarHBondContact O-N 3.41Å; A81-L84 PolarHBondContact O-N 3.45Å; L84-G87 PolarHBondContact O-N 3.47Å; L84-N88 WeakPolarHBondContact O-CB 3.39Å; L84-N88 PolarHBondContact O-N 2.71Å |
| 85 | E | 51.9 | Low | 47.7 | Very low | 134 Ų | 134 | 106.2 Ų | 106.2 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.9 | -42.5 | 179 | -166.2 | 173.6 | -178.6 | 0 | 0 | 111.6 | A81 N88 K89 | A81-E85 WeakPolarHBondContact O-CB 3.46Å; A81-E85 PolarHBondContact O-N 3.36Å; E85-N88 PolarHBondContact O-N 2.72Å; E85-K89 PolarHBondContact O-N 3.2Å; E85-K89 VanDerWaalsContact O-N 3.08Å |
| 86 | N | 52.4 | Low | 47.4 | Very low | 99 Ų | 99 | 106.7 Ų | 106.7 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -37.3 | 174.9 | -73.1 | -28.7 | 0 | 0 | 0 | 112.6 | S82 N88 K89 K90 | S82-N86 VanDerWaalsContact O-CB 3.32Å; S82-N86 WeakPolarHBondContact O-CB 3.35Å; S82-N86 VanDerWaalsContact O-CG 3.29Å; S82-N86 PolarHBondContact O-N 2.98Å; S82-N86 PolarHBondContact O-ND2 3.38Å; N86-N88 VanDerWaalsContact C-N 3.28Å; N86-N88 PolarHBondContact O-N 3.46Å; N86-K89 PolarHBondContact O-N 3.1Å; N86-K90 PolarHBondContact O-N 3.35Å |
| 87 | G | 47.3 | Very low | 46.7 | Very low | 35 Ų | 35 | 108.7 Ų | 108.7 | 36% | 0.361 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.6 | -37.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A83 L84 K90 R91 | A83-G87 PolarHBondContact O-N 3.32Å; L84-G87 PolarHBondContact O-N 3.47Å; G87-K90 PolarHBondContact O-N 3.13Å; G87-R91 PolarHBondContact O-N 2.84Å |
| 88 | N | 45.6 | Very low | 46.1 | Very low | 111 Ų | 111 | 106.5 Ų | 106.5 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.1 | -36.8 | 176.9 | -111.5 | -11.9 | 0 | 0 | 0 | 112.8 | L84 E85 N86 K90 R91 G92 | L84-N88 WeakPolarHBondContact O-CB 3.39Å; L84-N88 PolarHBondContact O-N 2.71Å; E85-N88 PolarHBondContact O-N 2.72Å; N86-N88 VanDerWaalsContact C-N 3.28Å; N86-N88 PolarHBondContact O-N 3.46Å; N88-K90 VanDerWaalsContact C-N 3.27Å; N88-K90 PolarHBondContact O-N 3.39Å; N88-R91 PolarHBondContact O-N 3.07Å; N88-G92 PolarHBondContact O-N 2.94Å |
| 89 | K | 48.2 | Very low | 45.4 | Very low | 148 Ų | 148 | 100.1 Ų | 100.1 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -34.4 | 171.4 | -100.7 | 176.6 | -178.7 | 168 | 0 | 112.8 | E85 N86 | E85-K89 PolarHBondContact O-N 3.2Å; E85-K89 VanDerWaalsContact O-N 3.08Å; N86-K89 PolarHBondContact O-N 3.1Å |
| 90 | K | 43.8 | Very low | 44.8 | Very low | 161 Ų | 161 | 98 Ų | 98 | 70% | 0.7 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -78.5 | -33.1 | 176.1 | -71.6 | -172 | 179.3 | -178.7 | 0 | 112.9 | N86 G87 N88 | N86-K90 PolarHBondContact O-N 3.35Å; G87-K90 PolarHBondContact O-N 3.13Å; N88-K90 VanDerWaalsContact C-N 3.27Å; N88-K90 PolarHBondContact O-N 3.39Å |
| 91 | R | 46.1 | Very low | 44.4 | Very low | 196 Ų | 196 | 97 Ų | 97 | 74% | 0.74 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.2 | -31.9 | 174.2 | -82.2 | -174.3 | -179.4 | -179.9 | 2.1 | 113.8 | G87 N88 R93 N94 S95 | G87-R91 PolarHBondContact O-N 2.84Å; N88-R91 PolarHBondContact O-N 3.07Å; R91-R93 VanDerWaalsContact C-N 3.3Å; R91-R93 PolarHBondContact O-N 3.35Å; R91-N94 PolarHBondContact O-N 3.3Å; R91-N94 VanDerWaalsContact O-N 3.1Å; R91-S95 PolarHBondContact O-N 3.37Å; R91-S95 VanDerWaalsContact O-N 3.07Å; R91-S95 PolarHBondContact O-OG 3.33Å |
| 92 | G | 44.1 | Very low | 44 | Very low | 36 Ų | 36 | 97.5 Ų | 97.5 | 37% | 0.371 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -31.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | N88 N94 S95 A96 | N88-G92 PolarHBondContact O-N 2.94Å; G92-N94 VanDerWaalsContact C-N 3.34Å; G92-S95 PolarHBondContact O-OG 3.18Å; G92-A96 PolarHBondContact O-N 3.4Å |
| 93 | R | 41.4 | Very low | 43.6 | Very low | 185 Ų | 185 | 100.4 Ų | 100.4 | 70% | 0.698 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.3 | -32.4 | 173.8 | -81 | -172.3 | -108.4 | 172.9 | -7.6 | 112.8 | R91 | R91-R93 VanDerWaalsContact C-N 3.3Å; R91-R93 PolarHBondContact O-N 3.35Å |
| 94 | N | 41.4 | Very low | 42.9 | Very low | 122 Ų | 122 | 107.8 Ų | 107.8 | 65% | 0.652 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -86.7 | -27.2 | -176.3 | -66.5 | -2.5 | 0 | 0 | 0 | 112.7 | R91 G92 A98 | R91-N94 PolarHBondContact O-N 3.3Å; R91-N94 VanDerWaalsContact O-N 3.1Å; G92-N94 VanDerWaalsContact C-N 3.34Å; N94-A98 VanDerWaalsContact O-CB 3.29Å; N94-A98 WeakPolarHBondContact O-CB 3.49Å; N94-A98 PolarHBondContact O-N 2.99Å |
| 95 | S | 43.2 | Very low | 42.5 | Very low | 76 Ų | 76 | 108.5 Ų | 108.5 | 53% | 0.531 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78.2 | -32.1 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | R91 G92 A98 A99 | R91-S95 PolarHBondContact O-N 3.37Å; R91-S95 VanDerWaalsContact O-N 3.07Å; R91-S95 PolarHBondContact O-OG 3.33Å; G92-S95 PolarHBondContact O-OG 3.18Å; S95-A98 PolarHBondContact O-N 3.16Å; S95-A99 PolarHBondContact O-N 2.79Å; S95-A99 VanDerWaalsContact O-N 3.09Å |
| 96 | A | 39.1 | Very low | 41.9 | Very low | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.4 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G92 S100 | G92-A96 PolarHBondContact O-N 3.4Å; A96-S100 PolarHBondContact O-N 3.42Å; A96-S100 PolarHBondContact O-OG 3.13Å |
| 97 | C | 34 | Very low | 40.8 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 62% | 0.622 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.6 | -30.7 | 175.5 | -74.9 | 0 | 0 | 0 | 0 | 113.1 | S100 S101 | C97-S100 PolarHBondContact O-N 3.15Å; C97-S101 PolarHBondContact O-N 3.23Å |
| 98 | A | 38.1 | Very low | 40.4 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 50% | 0.496 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.6 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N94 S95 A102 | N94-A98 VanDerWaalsContact O-CB 3.29Å; N94-A98 WeakPolarHBondContact O-CB 3.49Å; N94-A98 PolarHBondContact O-N 2.99Å; S95-A98 PolarHBondContact O-N 3.16Å; A98-A102 WeakPolarHBondContact O-CB 3.49Å; A98-A102 PolarHBondContact O-N 3.42Å |
| 99 | A | 35.4 | Very low | 40 | Very low | 55 Ų | 55 | 116.4 Ų | 116.4 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.8 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | S95 A102 I103 | S95-A99 PolarHBondContact O-N 2.79Å; S95-A99 VanDerWaalsContact O-N 3.09Å; A99-A102 PolarHBondContact O-N 3.35Å; A99-I103 WeakPolarHBondContact O-CG1 3.41Å; A99-I103 PolarHBondContact O-N 3.03Å |
| 100 | S | 37.7 | Very low | 39.6 | Very low | 85 Ų | 85 | 114.3 Ų | 114.3 | 59% | 0.594 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.3 | -36.2 | 177.4 | -66.1 | 0 | 0 | 0 | 0 | 113.2 | A96 C97 | A96-S100 PolarHBondContact O-N 3.42Å; A96-S100 PolarHBondContact O-OG 3.13Å; C97-S100 PolarHBondContact O-N 3.15Å |
| 101 | S | 42.5 | Very low | 39.3 | Very low | 80 Ų | 80 | 115.6 Ų | 115.6 | 56% | 0.559 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.4 | -30.8 | 174.5 | -95 | 0 | 0 | 0 | 0 | 113.4 | C97 I103 R104 | C97-S101 PolarHBondContact O-N 3.23Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.31Å; S101-R104 PolarHBondContact O-N 3.36Å |
| 102 | A | 41.7 | Very low | 38.7 | Very low | 61 Ų | 61 | 115.6 Ų | 115.6 | 50% | 0.504 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.7 | -29.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A98 A99 | A98-A102 WeakPolarHBondContact O-CB 3.49Å; A98-A102 PolarHBondContact O-N 3.42Å; A99-A102 PolarHBondContact O-N 3.35Å |
| 103 | I | 42.7 | Very low | 38.2 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.6 | -34.2 | 177 | -64.7 | 167.6 | 0 | 0 | 0 | 111 | A99 S101 N105 R106 | A99-I103 WeakPolarHBondContact O-CG1 3.41Å; A99-I103 PolarHBondContact O-N 3.03Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.31Å; I103-N105 VanDerWaalsContact C-N 3.27Å; I103-N105 PolarHBondContact O-N 3.09Å; I103-R106 PolarHBondContact O-N 3.06Å |
| 104 | R | 35.9 | Very low | 37.6 | Very low | 221 Ų | 221 | 115.1 Ų | 115.1 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67.5 | -25.7 | -179.9 | -170.1 | 176.1 | -97.4 | 174.9 | -7 | 113.4 | S101 | S101-R104 PolarHBondContact O-N 3.36Å |
| 105 | N | 40.9 | Very low | 37.2 | Very low | 141 Ų | 141 | 114.8 Ų | 114.8 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -10.3 | -178 | -72.7 | -16.9 | 0 | 0 | 0 | 114.8 | I103 G107 | I103-N105 VanDerWaalsContact C-N 3.27Å; I103-N105 PolarHBondContact O-N 3.09Å; N105-G107 PolarHBondContact O-N 3.41Å |
| 106 | R | 37.6 | Very low | 37.1 | Very low | 206 Ų | 206 | 117.2 Ų | 117.2 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.7 | 91.6 | 166.8 | -72.8 | -172.9 | -178.6 | 171.5 | 0.6 | 106.7 | I103 L108 | I103-R106 PolarHBondContact O-N 3.06Å; R106-L108 PolarHBondContact O-N 3.41Å |
| 107 | G | 29.7 | Very low | 37 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | -52.2 | 69.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N105 S109 | N105-G107 PolarHBondContact O-N 3.41Å; G107-S109 PolarHBondContact O-N 3.12Å | ||
| 108 | L | 39.7 | Very low | 37.3 | Very low | 157 Ų | 157 | 119.9 Ų | 119.9 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -71.1 | 89 | 160.9 | -75.1 | 164.2 | 0 | 0 | 0 | 105.4 | R106 A110 | R106-L108 PolarHBondContact O-N 3.41Å; L108-A110 PolarHBondContact O-N 2.99Å | ||
| 109 | S | 37.2 | Very low | 37.2 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -23.7 | 120.2 | 162.7 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | G107 K111 | G107-S109 PolarHBondContact O-N 3.12Å; S109-K111 PolarHBondContact O-N 3.48Å | ||
| 110 | A | 40 | Very low | 37.2 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -66.1 | 77.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | L108 | L108-A110 PolarHBondContact O-N 2.99Š|
| 111 | K | 37.9 | Very low | 37.2 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -157.7 | 81.4 | 165.4 | -104.8 | -174.3 | -178.6 | -176.2 | 0 | 108.2 | S109 | S109-K111 PolarHBondContact O-N 3.48Š| ||
| 112 | E | 32.6 | Very low | 36.9 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -178.5 | 79.8 | 145.5 | -99.3 | 167.3 | -155.2 | 0 | 0 | 107.2 | G114 | E112-G114 PolarHBondContact O-N 3.23Š| ||
| 113 | T | 33 | Very low | 36.7 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 95% | 0.951 | 78% | 0.778 | S | S | * | * | trans | -63.3 | 105.3 | 168 | 39.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 114 | G | 30 | Very low | 36.2 | Very low | 55 Ų | 55 | 147.7 Ų | 147.7 | 57% | 0.567 | 79% | 0.789 | S | S | * | * | trans | -147 | 127.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | E112 | E112-G114 PolarHBondContact O-N 3.23Š| ||
| 115 | P | 33.4 | Very low | 36.2 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -57.7 | 131.2 | -177.2 | 23.8 | -32 | 0 | 0 | 0 | 108.5 | T117 | P115-T117 VanDerWaalsContact C-N 3.26Å; P115-T117 PolarHBondContact O-N 3.33Å | ||
| 116 | P | 39.9 | Very low | 36 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -62.6 | 96.1 | 176.5 | 25.5 | -32.3 | 0 | 0 | 0 | 107.5 | A118 | P116-A118 PolarHBondContact O-N 3.48Å; P116-A118 VanDerWaalsContact O-N 3.13Å | ||
| 117 | T | 36.4 | Very low | 36 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -50.8 | 122.3 | 168.2 | 30.2 | 0 | 0 | 0 | 0 | 106.1 | P115 H119 | P115-T117 VanDerWaalsContact C-N 3.26Å; P115-T117 PolarHBondContact O-N 3.33Å; T117-H119 PolarHBondContact O-N 3.24Å | ||
| 118 | A | 41.1 | Very low | 36.2 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -67.3 | 33.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P116 | P116-A118 PolarHBondContact O-N 3.48Å; P116-A118 VanDerWaalsContact O-N 3.13Å |
| 119 | H | 35.5 | Very low | 36.3 | Very low | 164 Ų | 164 | 136 Ų | 136 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 4.2 | -170.1 | -137.9 | -46.5 | 0 | 0 | 0 | 114.9 | T117 | T117-H119 PolarHBondContact O-N 3.24Š|
| 120 | L | 37.1 | Very low | 36 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 18.4 | 168.3 | -67.6 | 176.4 | 0 | 0 | 0 | 113.3 | S122 | L120-S122 VanDerWaalsContact C-N 3.33Å; L120-S122 PolarHBondContact O-N 3.49Å |
| 121 | R | 37.7 | Very low | 36 | Very low | 235 Ų | 235 | 138.8 Ų | 138.8 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 6.5 | -178.1 | -115.9 | -179.4 | 174.9 | 160.1 | -0.6 | 116 | ||
| 122 | S | 35.4 | Very low | 36.6 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.8 | 37.7 | 178.2 | 79 | 0 | 0 | 0 | 0 | 114.8 | L120 R124 | L120-S122 VanDerWaalsContact C-N 3.33Å; L120-S122 PolarHBondContact O-N 3.49Å; S122-R124 PolarHBondContact O-N 3.37Å; S122-R124 VanDerWaalsContact O-N 3.08Å |
| 123 | K | 37.1 | Very low | 36.9 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | -82 | 86.3 | 156.1 | -69.8 | -161.4 | 179.5 | -176.2 | 0 | 107.2 | C125 | K123-C125 PolarHBondContact O-N 3.19Š| ||
| 124 | R | 33.2 | Very low | 37.1 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -37.4 | 106.3 | 167.7 | -68.2 | 175.7 | -175.6 | -174 | 0.5 | 107.7 | S122 A126 | S122-R124 PolarHBondContact O-N 3.37Å; S122-R124 VanDerWaalsContact O-N 3.08Å; R124-A126 PolarHBondContact O-N 2.87Å | ||
| 125 | C | 35.2 | Very low | 37.4 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | -69.3 | 68.5 | 154.7 | -68.6 | 0 | 0 | 0 | 0 | 106.5 | K123 A127 | K123-C125 PolarHBondContact O-N 3.19Å; C125-A127 PolarHBondContact O-N 3.5Å | ||
| 126 | A | 36 | Very low | 38 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | -67.7 | 69.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 105 | R124 D128 | R124-A126 PolarHBondContact O-N 2.87Å; A126-D128 PolarHBondContact O-N 3.38Å | ||
| 127 | A | 38.6 | Very low | 38 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | -64 | 91.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 102.8 | C125 I129 | C125-A127 PolarHBondContact O-N 3.5Å; A127-I129 PolarHBondContact O-N 3.43Å | ||
| 128 | D | 33.8 | Very low | 38 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | trans | -52 | 88.2 | 167.4 | -149.6 | 18.8 | 0 | 0 | 0 | 104.9 | A126 R130 | A126-D128 PolarHBondContact O-N 3.38Å; D128-R130 HydrophobicContact CB-CG 4.43Å; D128-R130 PolarHBondContact O-N 3.1Å; D128-R130 IonicContact OD2-NE 3.55Å | ||
| 129 | I | 40.8 | Very low | 37.8 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -69.1 | 80.9 | 171.3 | -63 | 174.6 | 0 | 0 | 0 | 103.6 | A127 S131 | A127-I129 PolarHBondContact O-N 3.43Å; I129-S131 PolarHBondContact O-N 3.3Å | ||
| 130 | R | 32 | Very low | 38 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -63.5 | 90.6 | 172.2 | -73.5 | 179.5 | 175.2 | -173.6 | -4.1 | 106.5 | D128 P132 | D128-R130 HydrophobicContact CB-CG 4.43Å; D128-R130 PolarHBondContact O-N 3.1Å; D128-R130 IonicContact OD2-NE 3.55Å; R130-P132 VanDerWaalsContact O-CD 3.25Å; R130-P132 WeakPolarHBondContact O-CD 3.43Å | ||
| 131 | S | 38.6 | Very low | 38 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 46% | 0.455 | 74% | 0.743 | S | S | . | * | trans | -60.5 | 115.8 | 159.1 | -68 | 0 | 0 | 0 | 0 | 106.6 | I129 W133 L134 | I129-S131 PolarHBondContact O-N 3.3Å; S131-W133 PolarHBondContact O-N 3.47Å; S131-L134 PolarHBondContact O-N 3.43Å | ||
| 132 | P | 50.6 | Low | 38 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 2.3 | -169.4 | -21.9 | 32.4 | 0 | 0 | 0 | 115.7 | R130 | R130-P132 VanDerWaalsContact O-CD 3.25Å; R130-P132 WeakPolarHBondContact O-CD 3.43Å |
| 133 | W | 40 | Very low | 38 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.871 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 8.1 | -167.5 | -51.9 | 98.1 | 0 | 0 | 0 | 113.7 | S131 | S131-W133 PolarHBondContact O-N 3.47Š|
| 134 | L | 37.6 | Very low | 38 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -102.4 | 110.9 | 171.3 | -85.2 | 132.9 | 0 | 0 | 0 | 109.1 | S131 L136 | S131-L134 PolarHBondContact O-N 3.43Å; L134-L136 PolarHBondContact O-N 3.12Å |
| 135 | P | 35.8 | Very low | 38.3 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -59.7 | 137.8 | 170.3 | 23.1 | -29.9 | 0 | 0 | 0 | 109.1 | K137 | P135-K137 PolarHBondContact O-N 3.45Š| ||
| 136 | L | 44.8 | Very low | 38.4 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 89% | 0.885 | 73% | 0.727 | S | S | * | * | trans | -51.2 | 91.9 | -178.6 | -74 | 133.2 | 0 | 0 | 0 | 110.7 | L134 G138 | L134-L136 PolarHBondContact O-N 3.12Å; L136-G138 VanDerWaalsContact C-N 3.33Å; L136-G138 PolarHBondContact O-N 3.3Å | ||
| 137 | K | 40.9 | Very low | 38.5 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 89% | 0.891 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 93.1 | 165.2 | -80.1 | -176.2 | 175 | -177.2 | 0 | 106.9 | P135 | P135-K137 PolarHBondContact O-N 3.45Š|
| 138 | G | 36.4 | Very low | 38.5 | Very low | 64 Ų | 64 | 136.6 Ų | 136.6 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.6 | -16.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | L136 I140 | L136-G138 VanDerWaalsContact C-N 3.33Å; L136-G138 PolarHBondContact O-N 3.3Å; G138-I140 VanDerWaalsContact C-N 3.28Å; G138-I140 PolarHBondContact O-N 2.92Å; G138-I140 VanDerWaalsContact O-N 3.11Å |
| 139 | E | 36.6 | Very low | 38.5 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -87.7 | 74.2 | 170.2 | -73.6 | -155.3 | 154.9 | 0 | 0 | 110.1 | K141 | E139-K141 PolarHBondContact O-N 2.81Å; E139-K141 IonicContact OE1-NZ 2.98Å; E139-K141 PolarHBondContact OE1-NZ 3.32Å; E139-K141 IonicContact OE2-NZ 2.79Å; E139-K141 PolarHBondContact OE2-NZ 2.64Å | ||
| 140 | I | 39.9 | Very low | 38.7 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -76.5 | 77.1 | 157.7 | -48.5 | 171.3 | 0 | 0 | 0 | 105.5 | G138 S142 | G138-I140 VanDerWaalsContact C-N 3.28Å; G138-I140 PolarHBondContact O-N 2.92Å; G138-I140 VanDerWaalsContact O-N 3.11Å; I140-S142 VanDerWaalsContact C-N 3.26Å; I140-S142 PolarHBondContact O-N 3.39Å; I140-S142 VanDerWaalsContact O-N 3.09Å | ||
| 141 | K | 38 | Very low | 39.1 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 93.1 | 161.5 | -77.7 | 175 | -179 | 142.8 | 0 | 106 | E139 | E139-K141 PolarHBondContact O-N 2.81Å; E139-K141 IonicContact OE1-NZ 2.98Å; E139-K141 PolarHBondContact OE1-NZ 3.32Å; E139-K141 IonicContact OE2-NZ 2.79Å; E139-K141 PolarHBondContact OE2-NZ 2.64Å | ||
| 142 | S | 36.9 | Very low | 39.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -51.3 | 142 | 166.7 | 45.6 | 0 | 0 | 0 | 0 | 111.4 | I140 | I140-S142 VanDerWaalsContact C-N 3.26Å; I140-S142 PolarHBondContact O-N 3.39Å; I140-S142 VanDerWaalsContact O-N 3.09Å | ||
| 143 | A | 35.3 | Very low | 38.8 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | 69.5 | 92.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 144 | D | 37 | Very low | 38.8 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | -146.2 | 79.5 | 125.9 | -86.5 | -31.4 | 0 | 0 | 0 | 107.3 | N146 | D144-N146 PolarHBondContact O-N 3.31Š| |||
| 145 | S | 39.9 | Very low | 38.9 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 65.4 | 162 | 55 | 0 | 0 | 0 | 0 | 108.8 | T147 | S145-T147 VanDerWaalsContact C-N 3.33Å; S145-T147 PolarHBondContact O-N 3.45Å | ||
| 146 | N | 36.3 | Very low | 39 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -87.7 | 88.6 | 164.2 | -104.9 | -30 | 0 | 0 | 0 | 107.3 | D144 N148 | D144-N146 PolarHBondContact O-N 3.31Å; N146-N148 PolarHBondContact O-N 3.4Å | ||
| 147 | T | 38.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -39.3 | 99 | 156.8 | 43.2 | 0 | 0 | 0 | 0 | 110.6 | S145 | S145-T147 VanDerWaalsContact C-N 3.33Å; S145-T147 PolarHBondContact O-N 3.45Å | ||
| 148 | N | 37.9 | Very low | 38.6 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -144.2 | 69.7 | 159.4 | -89.1 | -46.2 | 0 | 0 | 0 | 107.4 | N146 P150 | N146-N148 PolarHBondContact O-N 3.4Å; N148-P150 WeakPolarHBondContact O-CD 3.29Å | ||
| 149 | L | 34.8 | Very low | 38.7 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 107.2 | 152.4 | -79.7 | 154.1 | 0 | 0 | 0 | 105.4 | N151 | L149-N151 PolarHBondContact O-N 3.47Š| ||
| 150 | P | 44.2 | Very low | 38.9 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -65.7 | 110.7 | 166.9 | 27.5 | -30.3 | 0 | 0 | 0 | 106.5 | N148 A152 | N148-P150 WeakPolarHBondContact O-CD 3.29Å; P150-A152 PolarHBondContact O-N 3.05Å | ||
| 151 | N | 39.7 | Very low | 38.8 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -43 | 105.3 | 162.9 | -120.5 | -3.1 | 0 | 0 | 0 | 107.9 | L149 Y153 | L149-N151 PolarHBondContact O-N 3.47Å; N151-Y153 VanDerWaalsContact C-N 3.27Å; N151-Y153 PolarHBondContact O-N 3.5Å | ||
| 152 | A | 43.6 | Very low | 38.8 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -69 | 97.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | P150 I154 | P150-A152 PolarHBondContact O-N 3.05Å; A152-I154 PolarHBondContact O-N 3.4Å | ||
| 153 | Y | 39.9 | Very low | 39 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -53.2 | 133.3 | 172.2 | -97 | -101 | 0 | 0 | 0 | 109.5 | N151 | N151-Y153 VanDerWaalsContact C-N 3.27Å; N151-Y153 PolarHBondContact O-N 3.5Å | ||
| 154 | I | 40.7 | Very low | 39.3 | Very low | 235 Ų | 235 | 148.2 Ų | 148.2 | 100% | 1.205 | 82% | 0.821 | S | S | * | * | trans | -50.5 | 0 | 169.1 | -63.5 | 163.9 | 0 | 0 | 0 | 110.6 | A152 | A152-I154 PolarHBondContact O-N 3.4Š|
Retrieved 154 of 154 residues in 55.7 ms
(Link to these results)