| 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 | 29.6 | Very low | 31.9 | Very low | 243 Ų | 243 | 164.5 Ų | 164.5 | 100% | 1.197 | 82% | 0.821 | S | S | * | * | 0 | 106.4 | 0 | -83.3 | 164.7 | 133.2 | 0 | 0 | 108.1 | N3 | M1-N3 PolarHBondContact O-N 2.68Š| |||
| 2 | N | 27.4 | Very low | 32.3 | Very low | 166 Ų | 166 | 160 Ų | 160 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -78.5 | 105.5 | -178.3 | -96.6 | -13.7 | 0 | 0 | 0 | 109.9 | S4 | N2-S4 PolarHBondContact O-N 3.19Š| ||
| 3 | N | 27.7 | Very low | 33.1 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | -87.3 | 91.1 | 161.6 | -83.1 | -7.5 | 0 | 0 | 0 | 108.4 | M1 F5 | M1-N3 PolarHBondContact O-N 2.68Å; N3-F5 PolarHBondContact O-N 2.85Å | ||
| 4 | S | 29.2 | Very low | 33.9 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -54.1 | 113.7 | 168.7 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | N2 K6 | N2-S4 PolarHBondContact O-N 3.19Å; S4-K6 PolarHBondContact O-N 3.48Å | ||
| 5 | F | 31 | Very low | 34.9 | Very low | 173 Ų | 173 | 153.6 Ų | 153.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -60.9 | 97.2 | 164.6 | -80.1 | -88.7 | 0 | 0 | 0 | 108.8 | N3 L7 | N3-F5 PolarHBondContact O-N 2.85Å; F5-L7 VanDerWaalsContact C-N 3.28Å; F5-L7 PolarHBondContact O-N 2.86Å | ||
| 6 | K | 32.1 | Very low | 37 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | trans | -74.9 | 87.6 | 168 | -86.6 | -179.5 | 176.3 | 173.7 | 0 | 108.2 | S4 C8 | S4-K6 PolarHBondContact O-N 3.48Å; K6-C8 PolarHBondContact O-N 3.11Å | ||
| 7 | L | 38.6 | Very low | 39.9 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 91% | 0.911 | 71% | 0.707 | S | S | * | * | trans | -65.1 | 84.6 | 159.7 | -144.3 | 101.6 | 0 | 0 | 0 | 107.2 | F5 | F5-L7 VanDerWaalsContact C-N 3.28Å; F5-L7 PolarHBondContact O-N 2.86Å | ||
| 8 | C | 33 | Very low | 42.6 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | trans | -91.5 | 116.7 | -167.7 | -148.3 | 0 | 0 | 0 | 0 | 111.7 | K6 | K6-C8 PolarHBondContact O-N 3.11Š| ||
| 9 | R | 32.2 | Very low | 45 | Very low | 212 Ų | 212 | 126.3 Ų | 126.3 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | trans | 64.7 | 107.8 | 157.2 | -70.8 | -178.9 | 176.7 | -178.2 | -0.9 | 119.4 | T11 | R9-T11 PolarHBondContact O-N 3.08Š| ||
| 10 | K | 35.3 | Very low | 47 | Very low | 214 Ų | 214 | 120.5 Ų | 120.5 | 93% | 0.93 | 62% | 0.615 | S | S | * | * | trans | -50.1 | 100.2 | 154.7 | -73.3 | 174 | 175.9 | 173.5 | 0 | 110.8 | ||||
| 11 | T | 34.7 | Very low | 48.8 | Very low | 100 Ų | 100 | 118.3 Ų | 118.3 | 61% | 0.613 | 61% | 0.605 | S | S | * | * | trans | -112.2 | 76.3 | 158.3 | 44.9 | 0 | 0 | 0 | 0 | 108.1 | R9 F13 R80 | R9-T11 PolarHBondContact O-N 3.08Å; T11-F13 PolarHBondContact O-N 2.84Å; T11-R80 PolarHBondContact O-NH2 2.88Å; T11-R80 PolarHBondContact OG1-NH2 3.39Å | ||
| 12 | S | 36.9 | Very low | 51.5 | Low | 111 Ų | 111 | 107.1 Ų | 107.1 | 78% | 0.776 | 55% | 0.55 | S | S | * | * | trans | -35.7 | 115.9 | -174.8 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 13 | F | 42.3 | Very low | 54.1 | Low | 31 Ų | 31 | 99.2 Ų | 99.2 | 14% | 0.136 | 51% | 0.508 | C | S | . | . | trans | -53.7 | 155 | 158.7 | -80.9 | -82.5 | 0 | 0 | 0 | 107.6 | T11 R15 C20 F73 K76 | T11-F13 PolarHBondContact O-N 2.84Å; F13-R15 PolarHBondContact O-N 3.4Å; F13-C20 HydrophobicContact CB-CB 4.31Å; F13-C20 WeakPolarHBondContact CD1-SG 3.3Å; F13-C20 HydrophobicContact CD2-CB 3.83Å; F13-C20 WeakPolarHBondContact CD2-SG 3.47Å; F13-C20 WeakPolarHBondContact CE1-SG 3.4Å; F13-C20 HydrophobicContact CE2-CB 4.26Å; F13-C20 WeakPolarHBondContact CE2-SG 3.47Å; F13-C20 HydrophobicContact CG-CB 4Å; F13-C20 WeakPolarHBondContact CG-SG 3.05Å; F13-C20 WeakPolarHBondContact CZ-SG 3.46Å; F13-F73 HydrophobicContact CZ-CD2 4.46Å; F13-K76 HydrophobicContact CD1-CD 4.38Å; F13-K76 HydrophobicContact CE1-CB 3.73Å; F13-K76 HydrophobicContact CE1-CD 3.95Å; F13-K76 HydrophobicContact CE1-CG 4.47Å; F13-K76 HydrophobicContact CZ-CB 3.99Å | ||
| 14 | P | 45.3 | Very low | 56.6 | Low | 89 Ų | 89 | 94.5 Ų | 94.5 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | trans | -48.3 | 124.7 | 168 | -17.3 | 28.4 | 0 | 0 | 0 | 106.8 | G16 N17 | P14-G16 VanDerWaalsContact C-N 3.28Å; P14-G16 PolarHBondContact O-N 3Å; P14-N17 PolarHBondContact O-N 3.21Å | ||
| 15 | R | 47.9 | Very low | 59 | Low | 264 Ų | 264 | 97.3 Ų | 97.3 | 100% | 0.996 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 99.2 | 172.5 | -78.6 | 179.5 | 173.4 | 177.9 | -1.9 | 106.2 | F13 | F13-R15 PolarHBondContact O-N 3.4Š|
| 16 | G | 68.9 | Low | 61.2 | Low | 46 Ų | 46 | 89.3 Ų | 89.3 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 154.3 | -33.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | P14 I18 | P14-G16 VanDerWaalsContact C-N 3.28Å; P14-G16 PolarHBondContact O-N 3Å; G16-I18 PolarHBondContact O-N 2.67Å |
| 17 | N | 86.3 | Confident | 63 | Low | 5 Ų | 5 | 83.1 Ų | 83.1 | 3% | 0.027 | 43% | 0.425 | C | S | . | . | trans | -63.7 | 122.6 | -172.2 | -175.3 | -78.2 | 0 | 0 | 0 | 112.7 | P14 F19 C20 N21 D69 | P14-N17 PolarHBondContact O-N 3.21Å; N17-F19 PolarHBondContact O-N 2.94Å; N17-F19 PolarHBondContact OD1-N 2.76Å; N17-C20 HydrophobicContact CB-CB 4.11Å; N17-C20 VanDerWaalsContact CG-SG 3.6Å; N17-C20 PolarHBondContact O-N 3.18Å; N17-C20 PolarHBondContact OD1-N 2.97Å; N17-C20 PolarHBondContact OD1-SG 3.18Å; N17-N21 WeakPolarHBondContact O-CB 3.45Å; N17-N21 VanDerWaalsContact O-CG 3.23Å; N17-N21 PolarHBondContact O-N 3.06Å; N17-N21 PolarHBondContact O-ND2 3.3Å; N17-N21 VanDerWaalsContact O-ND2 3.13Å; N17-D69 WeakPolarHBondContact CA-OD2 3.35Å; N17-D69 VanDerWaalsContact ND2-CA 3.29Å; N17-D69 WeakPolarHBondContact ND2-CA 3.41Å; N17-D69 WeakPolarHBondContact ND2-CB 3.34Å; N17-D69 PolarHBondContact ND2-O 3.25Å; N17-D69 PolarHBondContact ND2-OD1 3.35Å | ||
| 18 | I | 87.9 | Confident | 64.2 | Low | 45 Ų | 45 | 82.1 Ų | 82.1 | 23% | 0.231 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | -173.3 | -64.5 | 169 | 0 | 0 | 0 | 111.8 | G16 N21 L22 I54 D69 | G16-I18 PolarHBondContact O-N 2.67Å; I18-N21 PolarHBondContact O-N 2.87Å; I18-L22 WeakPolarHBondContact O-CB 3.34Å; I18-L22 PolarHBondContact O-N 2.94Å; I18-I54 HydrophobicContact CG2-CD1 3.84Å; I18-D69 PolarHBondContact N-OD2 3.3Å |
| 19 | F | 89.8 | Confident | 65.4 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.4 | -39.5 | -175.1 | -62.9 | -85.8 | 0 | 0 | 0 | 112.1 | N17 N21 L22 I23 L51 L66 D69 Y70 F73 F89 C93 I97 | N17-F19 PolarHBondContact O-N 2.94Å; N17-F19 PolarHBondContact OD1-N 2.76Å; F19-N21 VanDerWaalsContact C-N 3.32Å; F19-N21 PolarHBondContact O-N 3.46Å; F19-L22 WeakPolarHBondContact O-CB 3.41Å; F19-L22 PolarHBondContact O-N 3.42Å; F19-L22 VanDerWaalsContact O-N 3.17Å; F19-I23 PolarHBondContact O-N 2.6Å; F19-L51 HydrophobicContact CE1-CD1 4.21Å; F19-L51 HydrophobicContact CE1-CD2 3.87Å; F19-L51 HydrophobicContact CZ-CD2 4.24Å; F19-L66 HydrophobicContact CE2-CG 4.33Å; F19-L66 WeakPolarHBondContact CE2-O 3.49Å; F19-L66 HydrophobicContact CZ-CD2 4.15Å; F19-L66 HydrophobicContact CZ-CG 4.23Å; F19-D69 HydrophobicContact CD2-CB 4.16Å; F19-D69 HydrophobicContact CE2-CB 4.25Å; F19-Y70 HydrophobicContact CD1-CD2 4.09Å; F19-Y70 HydrophobicContact CD2-CD2 4.42Å; F19-Y70 AromaticContact CE1-CD2 3.78Å; F19-Y70 HydrophobicContact CE1-CD2 3.78Å; F19-Y70 VanDerWaalsContact CE2-CB 3.47Å; F19-Y70 HydrophobicContact CE2-CD2 4.16Å; F19-Y70 HydrophobicContact CE2-CG 4.32Å; F19-Y70 HydrophobicContact CG-CD2 4.4Å; F19-Y70 AromaticContact CZ-CD2 3.82Å; F19-Y70 HydrophobicContact CZ-CD2 3.82Å; F19-Y70 HydrophobicContact CZ-CG 4.2Å; F19-F73 HydrophobicContact CB-CB 3.95Å; F19-F73 HydrophobicContact CB-CD1 3.99Å; F19-F73 HydrophobicContact CB-CD2 4.07Å; F19-F73 HydrophobicContact CB-CG 3.68Å; F19-F89 HydrophobicContact CB-CE1 4.35Å; F19-F89 HydrophobicContact CD1-CE1 4.26Å; F19-F89 HydrophobicContact CD1-CZ 4.42Å; F19-C93 HydrophobicContact CD1-CB 4.32Å; F19-C93 HydrophobicContact CE1-CB 3.96Å; F19-I97 HydrophobicContact CZ-CD1 4.21Å |
| 20 | C | 85.1 | Confident | 66.3 | Low | 9 Ų | 9 | 77.7 Ų | 77.7 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | F13 N17 L22 I23 D24 | F13-C20 HydrophobicContact CB-CB 4.31Å; F13-C20 WeakPolarHBondContact CD1-SG 3.3Å; F13-C20 HydrophobicContact CD2-CB 3.83Å; F13-C20 WeakPolarHBondContact CD2-SG 3.47Å; F13-C20 WeakPolarHBondContact CE1-SG 3.4Å; F13-C20 HydrophobicContact CE2-CB 4.26Å; F13-C20 WeakPolarHBondContact CE2-SG 3.47Å; F13-C20 HydrophobicContact CG-CB 4Å; F13-C20 WeakPolarHBondContact CG-SG 3.05Å; F13-C20 WeakPolarHBondContact CZ-SG 3.46Å; N17-C20 HydrophobicContact CB-CB 4.11Å; N17-C20 VanDerWaalsContact CG-SG 3.6Å; N17-C20 PolarHBondContact O-N 3.18Å; N17-C20 PolarHBondContact OD1-N 2.97Å; N17-C20 PolarHBondContact OD1-SG 3.18Å; C20-L22 VanDerWaalsContact C-N 3.27Å; C20-L22 PolarHBondContact O-N 3.36Å; C20-I23 PolarHBondContact O-N 3.07Å; C20-D24 WeakPolarHBondContact O-CB 3.49Å; C20-D24 PolarHBondContact O-N 3.06Å |
| 21 | N | 84.8 | Confident | 67.1 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 40% | 0.401 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 176.4 | -72.8 | -29.7 | 0 | 0 | 0 | 112 | N17 I18 F19 K25 | N17-N21 WeakPolarHBondContact O-CB 3.45Å; N17-N21 VanDerWaalsContact O-CG 3.23Å; N17-N21 PolarHBondContact O-N 3.06Å; N17-N21 PolarHBondContact O-ND2 3.3Å; N17-N21 VanDerWaalsContact O-ND2 3.13Å; I18-N21 PolarHBondContact O-N 2.87Å; F19-N21 VanDerWaalsContact C-N 3.32Å; F19-N21 PolarHBondContact O-N 3.46Å; N21-K25 VanDerWaalsContact O-CG 3.31Å; N21-K25 WeakPolarHBondContact O-CG 3.45Å; N21-K25 PolarHBondContact O-N 2.9Å; N21-K25 VanDerWaalsContact O-N 3.16Å |
| 22 | L | 86.1 | Confident | 67.9 | Low | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 177.3 | -169.6 | 60 | 0 | 0 | 0 | 111.5 | I18 F19 C20 K25 I26 I47 T50 L51 F89 | I18-L22 WeakPolarHBondContact O-CB 3.34Å; I18-L22 PolarHBondContact O-N 2.94Å; F19-L22 WeakPolarHBondContact O-CB 3.41Å; F19-L22 PolarHBondContact O-N 3.42Å; F19-L22 VanDerWaalsContact O-N 3.17Å; C20-L22 VanDerWaalsContact C-N 3.27Å; C20-L22 PolarHBondContact O-N 3.36Å; L22-K25 PolarHBondContact O-N 3.47Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 3.22Å; L22-I47 HydrophobicContact CD2-CB 4.26Å; L22-I47 HydrophobicContact CD2-CG1 4.2Å; L22-I47 HydrophobicContact CD2-CG2 3.85Å; L22-I47 HydrophobicContact CG-CG1 4.39Å; L22-T50 HydrophobicContact CD1-CG2 3.9Å; L22-L51 HydrophobicContact CD2-CD1 4.5Å; L22-L51 HydrophobicContact CD2-CD2 4.35Å; L22-L51 HydrophobicContact CD2-CG 4.15Å; L22-F89 HydrophobicContact CB-CZ 4.32Å; L22-F89 HydrophobicContact CD2-CE2 4.18Å; L22-F89 HydrophobicContact CD2-CZ 4.02Å; L22-F89 HydrophobicContact CG-CE2 4.23Å; L22-F89 HydrophobicContact CG-CZ 4.3Å |
| 23 | I | 82.1 | Confident | 68.6 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.1 | -67.7 | -179.1 | 0 | 0 | 0 | 111.1 | F19 C20 K25 I26 V27 F73 F81 F85 F89 | F19-I23 PolarHBondContact O-N 2.6Å; C20-I23 PolarHBondContact O-N 3.07Å; I23-K25 PolarHBondContact O-N 3.14Å; I23-I26 WeakPolarHBondContact O-CA 3.46Å; I23-I26 WeakPolarHBondContact O-CB 3.22Å; I23-I26 PolarHBondContact O-N 2.96Å; I23-V27 HydrophobicContact CG2-CG2 3.72Å; I23-V27 WeakPolarHBondContact O-CG2 3.28Å; I23-V27 PolarHBondContact O-N 2.95Å; I23-F73 HydrophobicContact CD1-CE1 4.24Å; I23-F73 HydrophobicContact CD1-CE2 3.41Å; I23-F73 VanDerWaalsContact CD1-CE2 3.41Å; I23-F73 HydrophobicContact CD1-CZ 3.19Å; I23-F73 HydrophobicContact CG1-CZ 4.49Å; I23-F81 HydrophobicContact CB-CZ 4.45Å; I23-F81 HydrophobicContact CD1-CD2 4.47Å; I23-F81 HydrophobicContact CD1-CE2 4.12Å; I23-F81 HydrophobicContact CG2-CD1 4.44Å; I23-F81 HydrophobicContact CG2-CD2 4.47Å; I23-F81 HydrophobicContact CG2-CE1 3.74Å; I23-F81 HydrophobicContact CG2-CE2 3.78Å; I23-F81 HydrophobicContact CG2-CZ 3.36Å; I23-F85 HydrophobicContact CG2-CE1 4.13Å; I23-F89 HydrophobicContact CD1-CD1 3.67Å; I23-F89 HydrophobicContact CD1-CD2 4.13Å; I23-F89 HydrophobicContact CD1-CE1 3.63Å; I23-F89 HydrophobicContact CD1-CE2 4.11Å; I23-F89 HydrophobicContact CD1-CG 3.93Å; I23-F89 HydrophobicContact CD1-CZ 3.87Å; I23-F89 HydrophobicContact CG1-CD1 4.03Å; I23-F89 HydrophobicContact CG1-CD2 3.68Å; I23-F89 HydrophobicContact CG1-CE1 3.71Å; I23-F89 HydrophobicContact CG1-CE2 3.35Å; I23-F89 HydrophobicContact CG1-CG 4.02Å; I23-F89 HydrophobicContact CG1-CZ 3.36Å |
| 24 | D | 79.6 | Confident | 69.1 | Low | 57 Ų | 57 | 72.3 Ų | 72.3 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.2 | -38.8 | 178.1 | -94.2 | 21.4 | 0 | 0 | 0 | 111.8 | C20 I26 K28 | C20-D24 WeakPolarHBondContact O-CB 3.49Å; C20-D24 PolarHBondContact O-N 3.06Å; D24-I26 VanDerWaalsContact C-N 3.31Å; D24-I26 PolarHBondContact O-N 2.92Å; D24-K28 VanDerWaalsContact O-CB 3.24Å; D24-K28 WeakPolarHBondContact O-CB 3.46Å; D24-K28 WeakPolarHBondContact O-CG 3.25Å; D24-K28 PolarHBondContact O-N 3.4Å; D24-K28 IonicContact OD2-NZ 3.07Å; D24-K28 PolarHBondContact OD2-NZ 3.27Å |
| 25 | K | 79.3 | Confident | 69.5 | Low | 154 Ų | 154 | 70.4 Ų | 70.4 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.9 | -29.1 | 175.9 | -76.2 | 174.5 | -178.8 | 178.7 | 0 | 113.2 | N21 L22 I23 | N21-K25 VanDerWaalsContact O-CG 3.31Å; N21-K25 WeakPolarHBondContact O-CG 3.45Å; N21-K25 PolarHBondContact O-N 2.9Å; N21-K25 VanDerWaalsContact O-N 3.16Å; L22-K25 PolarHBondContact O-N 3.47Å; I23-K25 PolarHBondContact O-N 3.14Å |
| 26 | I | 76.7 | Confident | 69.6 | Low | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.1 | -48 | 177 | -65.1 | 163.8 | 0 | 0 | 0 | 109.8 | L22 I23 D24 L32 Y43 I47 F85 F89 | L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 3.22Å; I23-I26 WeakPolarHBondContact O-CA 3.46Å; I23-I26 WeakPolarHBondContact O-CB 3.22Å; I23-I26 PolarHBondContact O-N 2.96Å; D24-I26 VanDerWaalsContact C-N 3.31Å; D24-I26 PolarHBondContact O-N 2.92Å; I26-L32 HydrophobicContact CG2-CD1 4.37Å; I26-Y43 HydrophobicContact CG2-CG 4.2Å; I26-I47 HydrophobicContact CD1-CD1 3.76Å; I26-I47 HydrophobicContact CD1-CG1 3.52Å; I26-F85 HydrophobicContact CG2-CZ 4.47Å; I26-F89 HydrophobicContact CD1-CD2 4.4Å; I26-F89 HydrophobicContact CD1-CE2 4.09Å |
| 27 | V | 70.1 | Confident | 68.7 | Low | 48 Ų | 48 | 66.4 Ų | 66.4 | 29% | 0.291 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -73.5 | -35.5 | -173.8 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | I23 R29 L35 F81 | I23-V27 HydrophobicContact CG2-CG2 3.72Å; I23-V27 WeakPolarHBondContact O-CG2 3.28Å; I23-V27 PolarHBondContact O-N 2.95Å; V27-R29 PolarHBondContact O-N 2.94Å; V27-L35 HydrophobicContact CG2-CD1 4.34Å; V27-F81 HydrophobicContact CG2-CE1 4.19Å |
| 28 | K | 64.4 | Low | 67.1 | Low | 153 Ų | 153 | 72.1 Ų | 72.1 | 67% | 0.665 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 1.2 | -179.3 | -73.3 | 173.9 | -175.1 | 163.8 | 0 | 114.4 | D24 P30 | D24-K28 VanDerWaalsContact O-CB 3.24Å; D24-K28 WeakPolarHBondContact O-CB 3.46Å; D24-K28 WeakPolarHBondContact O-CG 3.25Å; D24-K28 PolarHBondContact O-N 3.4Å; D24-K28 IonicContact OD2-NZ 3.07Å; D24-K28 PolarHBondContact OD2-NZ 3.27Å; K28-P30 WeakPolarHBondContact O-CD 3.25Å |
| 29 | R | 58.7 | Low | 65.7 | Low | 115 Ų | 115 | 72.1 Ų | 72.1 | 43% | 0.434 | 38% | 0.378 | S | S | . | . | trans | -84 | 121.3 | -178.3 | -140.8 | 173.1 | -167.1 | -126.5 | -0.7 | 110.2 | V27 S31 L32 R46 | V27-R29 PolarHBondContact O-N 2.94Å; R29-S31 PolarHBondContact O-N 3.22Å; R29-L32 HydrophobicContact CB-CD1 4.21Å; R29-L32 PolarHBondContact O-N 3.23Å; R29-R46 VanDerWaalsContact CD-NH1 3.31Å | ||
| 30 | P | 50.1 | Low | 64.5 | Low | 101 Ų | 101 | 76.9 Ų | 76.9 | 66% | 0.656 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -56.8 | -28.1 | -177.3 | -24.8 | 32.7 | 0 | 0 | 0 | 114.1 | K28 L32 Q33 | K28-P30 WeakPolarHBondContact O-CD 3.25Å; P30-L32 VanDerWaalsContact C-N 3.26Å; P30-L32 PolarHBondContact O-N 3.38Å; P30-Q33 WeakPolarHBondContact O-CG 3.24Å |
| 31 | S | 51.8 | Low | 63.6 | Low | 68 Ų | 68 | 82 Ų | 82 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -74.6 | -7.5 | 179 | 65.2 | 0 | 0 | 0 | 0 | 114.9 | R29 | R29-S31 PolarHBondContact O-N 3.22Š|
| 32 | L | 52 | Low | 62.9 | Low | 13 Ų | 13 | 80.9 Ų | 80.9 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -119 | 21 | -175.2 | -69.1 | 169.3 | 0 | 0 | 0 | 112.3 | I26 R29 P30 F34 W38 C42 | I26-L32 HydrophobicContact CG2-CD1 4.37Å; R29-L32 HydrophobicContact CB-CD1 4.21Å; R29-L32 PolarHBondContact O-N 3.23Å; P30-L32 VanDerWaalsContact C-N 3.26Å; P30-L32 PolarHBondContact O-N 3.38Å; L32-F34 PolarHBondContact O-N 3.08Å; L32-W38 HydrophobicContact CD2-CB 4.4Å; L32-W38 HydrophobicContact CD2-CD2 4.27Å; L32-W38 HydrophobicContact CD2-CG 4.08Å; L32-C42 HydrophobicContact CD2-CB 4.41Å |
| 33 | Q | 51.8 | Low | 62.3 | Low | 146 Ų | 146 | 80.7 Ų | 80.7 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -60.1 | -13.1 | -177.6 | -79.6 | 175.9 | -6.5 | 0 | 0 | 114.5 | P30 | P30-Q33 WeakPolarHBondContact O-CG 3.24Š|
| 34 | F | 53.3 | Low | 62.3 | Low | 116 Ų | 116 | 81.7 Ų | 81.7 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | trans | -118.5 | 71.5 | 176.7 | -59 | -77.2 | 0 | 0 | 0 | 110.8 | L32 G36 Q37 W38 | L32-F34 PolarHBondContact O-N 3.08Å; F34-G36 PolarHBondContact O-N 3.05Å; F34-Q37 HydrophobicContact CB-CB 4.17Å; F34-Q37 HydrophobicContact CB-CG 4.2Å; F34-Q37 PolarHBondContact O-N 3.14Å; F34-W38 VanDerWaalsContact O-CD1 3.29Å | ||
| 35 | L | 52.3 | Low | 62.4 | Low | 49 Ų | 49 | 81 Ų | 81 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -52.4 | -31.4 | -177.8 | -75 | 160.9 | 0 | 0 | 0 | 113.6 | V27 Q37 F85 | V27-L35 HydrophobicContact CG2-CD1 4.34Å; L35-Q37 VanDerWaalsContact C-N 3.28Å; L35-Q37 PolarHBondContact O-N 3.2Å; L35-F85 HydrophobicContact CD2-CD2 4.02Å; L35-F85 HydrophobicContact CD2-CE2 3.78Å; L35-F85 HydrophobicContact CD2-CZ 4.41Å |
| 36 | G | 50.9 | Low | 62.6 | Low | 71 Ų | 71 | 77.9 Ų | 77.9 | 73% | 0.732 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -73.1 | -6.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | F34 | F34-G36 PolarHBondContact O-N 3.05Š|
| 37 | Q | 49.7 | Very low | 63 | Low | 155 Ų | 155 | 77.6 Ų | 77.6 | 72% | 0.724 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -105.5 | -9.7 | 179.5 | -70.9 | -175.6 | -15.6 | 0 | 0 | 114 | F34 L35 | F34-Q37 HydrophobicContact CB-CB 4.17Å; F34-Q37 HydrophobicContact CB-CG 4.2Å; F34-Q37 PolarHBondContact O-N 3.14Å; L35-Q37 VanDerWaalsContact C-N 3.28Å; L35-Q37 PolarHBondContact O-N 3.2Å |
| 38 | W | 53.2 | Low | 63.7 | Low | 125 Ų | 125 | 76.9 Ų | 76.9 | 47% | 0.473 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -114.3 | 120.4 | -177.6 | -62.5 | 84.9 | 0 | 0 | 0 | 110.2 | L32 F34 C42 | L32-W38 HydrophobicContact CD2-CB 4.4Å; L32-W38 HydrophobicContact CD2-CD2 4.27Å; L32-W38 HydrophobicContact CD2-CG 4.08Å; F34-W38 VanDerWaalsContact O-CD1 3.29Å; W38-C42 HydrophobicContact CB-CB 4.4Å; W38-C42 HydrophobicContact CE3-CB 4.49Å |
| 39 | G | 58.3 | Low | 64.7 | Low | 44 Ų | 44 | 77.4 Ų | 77.4 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | trans | -62.1 | 153.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | H41 C42 | G39-H41 PolarHBondContact O-N 3.11Å; G39-C42 PolarHBondContact O-N 3.08Å | ||
| 40 | Y | 63.8 | Low | 66.2 | Low | 100 Ų | 100 | 74.6 Ų | 74.6 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -47.5 | -28.2 | -176.4 | 67 | -89.6 | 0 | 0 | 0 | 115.3 | C42 Y43 E44 | Y40-C42 PolarHBondContact O-N 3.38Å; Y40-Y43 PolarHBondContact O-N 2.95Å; Y40-Y43 VanDerWaalsContact O-N 3.1Å; Y40-E44 HydrophobicContact CD2-CB 4.31Å; Y40-E44 VanDerWaalsContact CD2-OE2 3.3Å; Y40-E44 WeakPolarHBondContact CD2-OE2 3.48Å; Y40-E44 VanDerWaalsContact CE2-OE2 3.28Å; Y40-E44 WeakPolarHBondContact CE2-OE2 3.46Å; Y40-E44 VanDerWaalsContact O-CB 3.3Å; Y40-E44 WeakPolarHBondContact O-CB 3.43Å; Y40-E44 PolarHBondContact O-N 3.4Å |
| 41 | H | 66.2 | Low | 68.2 | Low | 117 Ų | 117 | 69.8 Ų | 69.8 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -49.9 | -25.1 | 174.3 | -59.7 | -53.9 | 0 | 0 | 0 | 115 | G39 E44 P45 | G39-H41 PolarHBondContact O-N 3.11Å; H41-E44 IonicContact ND1-OE2 3.86Å; H41-P45 VanDerWaalsContact O-CD 3.28Å; H41-P45 WeakPolarHBondContact O-CD 3.31Å |
| 42 | C | 69.8 | Low | 69.9 | Low | 52 Ų | 52 | 66.8 Ų | 66.8 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -76.3 | -24.8 | -176.9 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | L32 W38 G39 Y40 | L32-C42 HydrophobicContact CD2-CB 4.41Å; W38-C42 HydrophobicContact CB-CB 4.4Å; W38-C42 HydrophobicContact CE3-CB 4.49Å; G39-C42 PolarHBondContact O-N 3.08Å; Y40-C42 PolarHBondContact O-N 3.38Å |
| 43 | Y | 75.3 | Confident | 71.8 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -22.8 | -175.8 | 60.1 | -102.4 | 0 | 0 | 0 | 113.5 | I26 Y40 R46 I47 F85 E88 I92 | I26-Y43 HydrophobicContact CG2-CG 4.2Å; Y40-Y43 PolarHBondContact O-N 2.95Å; Y40-Y43 VanDerWaalsContact O-N 3.1Å; Y43-R46 WeakPolarHBondContact O-CB 3.25Å; Y43-R46 PolarHBondContact O-N 3.44Å; Y43-I47 HydrophobicContact CD2-CD1 3.56Å; Y43-I47 HydrophobicContact CD2-CG1 4.49Å; Y43-I47 HydrophobicContact CE2-CD1 3.99Å; Y43-I47 PolarHBondContact O-N 3.48Å; Y43-F85 HydrophobicContact CD1-CE2 4.36Å; Y43-F85 HydrophobicContact CE1-CD2 4.22Å; Y43-F85 AromaticContact CE1-CE2 3.88Å; Y43-F85 HydrophobicContact CE1-CE2 3.88Å; Y43-F85 HydrophobicContact CE2-CE2 4.2Å; Y43-F85 AromaticContact CZ-CE2 3.8Å; Y43-E88 VanDerWaalsContact OH-CB 3.3Å; Y43-E88 WeakPolarHBondContact OH-CB 3.33Å; Y43-E88 PolarHBondContact OH-OE2 2.91Å; Y43-I92 HydrophobicContact CD2-CD1 4.19Å; Y43-I92 HydrophobicContact CE2-CD1 3.63Å |
| 44 | E | 80.6 | Confident | 73.6 | Confident | 21 Ų | 21 | 69 Ų | 69 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -49.7 | -50.8 | 177.6 | 170.6 | -170.7 | -157.1 | 0 | 0 | 113.7 | Y40 H41 R46 I47 Y48 I92 | Y40-E44 HydrophobicContact CD2-CB 4.31Å; Y40-E44 VanDerWaalsContact CD2-OE2 3.3Å; Y40-E44 WeakPolarHBondContact CD2-OE2 3.48Å; Y40-E44 VanDerWaalsContact CE2-OE2 3.28Å; Y40-E44 WeakPolarHBondContact CE2-OE2 3.46Å; Y40-E44 VanDerWaalsContact O-CB 3.3Å; Y40-E44 WeakPolarHBondContact O-CB 3.43Å; Y40-E44 PolarHBondContact O-N 3.4Å; H41-E44 IonicContact ND1-OE2 3.86Å; E44-R46 PolarHBondContact O-N 3.05Å; E44-I47 PolarHBondContact O-N 2.83Å; E44-I47 VanDerWaalsContact O-N 3.15Å; E44-Y48 PolarHBondContact O-N 3.16Å; E44-I92 HydrophobicContact CB-CD1 3.8Å; E44-I92 HydrophobicContact CB-CG1 4.41Å; E44-I92 HydrophobicContact CG-CD1 4.16Å; E44-I92 HydrophobicContact CG-CG1 4.22Å; E44-I92 HydrophobicContact CG-CG2 4.14Å |
| 45 | P | 82.3 | Confident | 75.5 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -26 | -178.5 | -25.8 | 34.9 | 0 | 0 | 0 | 113.6 | H41 R49 | H41-P45 VanDerWaalsContact O-CD 3.28Å; H41-P45 WeakPolarHBondContact O-CD 3.31Å; P45-R49 VanDerWaalsContact O-CB 3.28Å; P45-R49 WeakPolarHBondContact O-CB 3.47Å; P45-R49 WeakPolarHBondContact O-CD 3.4Å; P45-R49 WeakPolarHBondContact O-CG 3.31Å; P45-R49 PolarHBondContact O-N 3.4Å |
| 46 | R | 82.9 | Confident | 77.2 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -81.1 | -42.4 | 179.8 | -63.9 | 178.8 | 179.6 | -173.6 | 0.6 | 111.9 | R29 Y43 E44 Y48 R49 T50 | R29-R46 VanDerWaalsContact CD-NH1 3.31Å; Y43-R46 WeakPolarHBondContact O-CB 3.25Å; Y43-R46 PolarHBondContact O-N 3.44Å; E44-R46 PolarHBondContact O-N 3.05Å; R46-Y48 VanDerWaalsContact C-N 3.31Å; R46-R49 PolarHBondContact O-N 2.82Å; R46-T50 WeakPolarHBondContact O-CB 3.5Å; R46-T50 PolarHBondContact O-N 3.17Å; R46-T50 PolarHBondContact O-OG1 2.76Å |
| 47 | I | 85.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.9 | -53.3 | 172.8 | -65 | 173.4 | 0 | 0 | 0 | 108.1 | L22 I26 Y43 E44 R49 T50 L51 F89 I92 | L22-I47 HydrophobicContact CD2-CB 4.26Å; L22-I47 HydrophobicContact CD2-CG1 4.2Å; L22-I47 HydrophobicContact CD2-CG2 3.85Å; L22-I47 HydrophobicContact CG-CG1 4.39Å; I26-I47 HydrophobicContact CD1-CD1 3.76Å; I26-I47 HydrophobicContact CD1-CG1 3.52Å; Y43-I47 HydrophobicContact CD2-CD1 3.56Å; Y43-I47 HydrophobicContact CD2-CG1 4.49Å; Y43-I47 HydrophobicContact CE2-CD1 3.99Å; Y43-I47 PolarHBondContact O-N 3.48Å; E44-I47 PolarHBondContact O-N 2.83Å; E44-I47 VanDerWaalsContact O-N 3.15Å; I47-R49 PolarHBondContact O-N 3.43Å; I47-T50 PolarHBondContact O-N 2.88Å; I47-L51 HydrophobicContact CG2-CD1 3.8Å; I47-L51 HydrophobicContact CG2-CG 4.4Å; I47-L51 WeakPolarHBondContact O-CB 3.23Å; I47-L51 PolarHBondContact O-N 3.16Å; I47-F89 HydrophobicContact CD1-CD2 3.36Å; I47-F89 HydrophobicContact CD1-CE2 3.52Å; I47-F89 HydrophobicContact CD1-CG 4.43Å; I47-F89 HydrophobicContact CG1-CD2 4.3Å; I47-F89 HydrophobicContact CG1-CE2 3.96Å; I47-I92 HydrophobicContact CB-CG2 3.88Å; I47-I92 HydrophobicContact CD1-CB 4.49Å; I47-I92 HydrophobicContact CD1-CD1 4.08Å; I47-I92 HydrophobicContact CD1-CG2 4.29Å; I47-I92 HydrophobicContact CG2-CB 4.32Å; I47-I92 HydrophobicContact CG2-CG2 3.53Å |
| 48 | Y | 85.4 | Confident | 81.1 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 13% | 0.125 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -54.1 | 178.9 | 177.3 | -105.6 | 0 | 0 | 0 | 112.1 | E44 R46 T50 L51 A52 T96 V139 Y140 | E44-Y48 PolarHBondContact O-N 3.16Å; R46-Y48 VanDerWaalsContact C-N 3.31Å; Y48-T50 VanDerWaalsContact C-N 3.26Å; Y48-T50 PolarHBondContact O-N 3.33Å; Y48-L51 PolarHBondContact O-N 3.13Å; Y48-A52 HydrophobicContact CE1-CB 4.35Å; Y48-A52 HydrophobicContact CE2-CB 4.4Å; Y48-A52 WeakPolarHBondContact O-CA 3.25Å; Y48-A52 WeakPolarHBondContact O-CB 3.48Å; Y48-A52 PolarHBondContact O-N 3.49Å; Y48-T96 HydrophobicContact CD2-CG2 3.67Å; Y48-T96 HydrophobicContact CE2-CG2 4.04Å; Y48-V139 HydrophobicContact CD1-CG1 3.76Å; Y48-V139 HydrophobicContact CD2-CB 4.14Å; Y48-V139 HydrophobicContact CD2-CG1 3.68Å; Y48-V139 HydrophobicContact CD2-CG2 3.58Å; Y48-V139 HydrophobicContact CE1-CG1 4.16Å; Y48-V139 HydrophobicContact CE2-CB 4.24Å; Y48-V139 HydrophobicContact CE2-CG1 4.1Å; Y48-V139 HydrophobicContact CE2-CG2 3.78Å; Y48-V139 HydrophobicContact CG-CB 4.42Å; Y48-V139 HydrophobicContact CG-CG1 3.48Å; Y48-V139 VanDerWaalsContact CG-CG1 3.48Å; Y48-V139 HydrophobicContact CG-CG2 4.25Å; Y48-Y140 HydrophobicContact CD1-CE2 4.39Å; Y48-Y140 AromaticContact CE1-CE2 3.86Å; Y48-Y140 HydrophobicContact CE1-CE2 3.86Å |
| 49 | R | 85.8 | Confident | 83.1 | Confident | 164 Ų | 164 | 65 Ų | 65 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.5 | -39.3 | -179.6 | -77.9 | 173.1 | -164.6 | 157 | 5.3 | 112.6 | P45 R46 I47 K53 | P45-R49 VanDerWaalsContact O-CB 3.28Å; P45-R49 WeakPolarHBondContact O-CB 3.47Å; P45-R49 WeakPolarHBondContact O-CD 3.4Å; P45-R49 WeakPolarHBondContact O-CG 3.31Å; P45-R49 PolarHBondContact O-N 3.4Å; R46-R49 PolarHBondContact O-N 2.82Å; I47-R49 PolarHBondContact O-N 3.43Å; R49-K53 WeakPolarHBondContact O-CB 3.27Å; R49-K53 PolarHBondContact O-N 2.76Å |
| 50 | T | 89.2 | Confident | 84.8 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 34% | 0.344 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70 | -51.8 | -178.6 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | L22 R46 I47 Y48 K53 I54 | L22-T50 HydrophobicContact CD1-CG2 3.9Å; R46-T50 WeakPolarHBondContact O-CB 3.5Å; R46-T50 PolarHBondContact O-N 3.17Å; R46-T50 PolarHBondContact O-OG1 2.76Å; I47-T50 PolarHBondContact O-N 2.88Å; Y48-T50 VanDerWaalsContact C-N 3.26Å; Y48-T50 PolarHBondContact O-N 3.33Å; T50-K53 PolarHBondContact O-N 3.25Å; T50-I54 HydrophobicContact CG2-CD1 4.4Å; T50-I54 WeakPolarHBondContact O-CG1 3.3Å; T50-I54 PolarHBondContact O-N 2.92Å; T50-I54 VanDerWaalsContact O-N 3.16Å |
| 51 | L | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 178.6 | -70 | -179.7 | 0 | 0 | 0 | 111.6 | F19 L22 I47 Y48 K53 I54 L55 C93 T96 | F19-L51 HydrophobicContact CE1-CD1 4.21Å; F19-L51 HydrophobicContact CE1-CD2 3.87Å; F19-L51 HydrophobicContact CZ-CD2 4.24Å; L22-L51 HydrophobicContact CD2-CD1 4.5Å; L22-L51 HydrophobicContact CD2-CD2 4.35Å; L22-L51 HydrophobicContact CD2-CG 4.15Å; I47-L51 HydrophobicContact CG2-CD1 3.8Å; I47-L51 HydrophobicContact CG2-CG 4.4Å; I47-L51 WeakPolarHBondContact O-CB 3.23Å; I47-L51 PolarHBondContact O-N 3.16Å; Y48-L51 PolarHBondContact O-N 3.13Å; L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 2.78Å; L51-I54 PolarHBondContact O-N 2.85Å; L51-I54 VanDerWaalsContact O-N 3.13Å; L51-L55 HydrophobicContact CB-CD1 4.31Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.3Å; L51-L55 PolarHBondContact O-N 3.12Å; L51-C93 HydrophobicContact CD1-CB 4.12Å; L51-T96 HydrophobicContact CB-CG2 3.69Å; L51-T96 HydrophobicContact CD1-CG2 4.39Å |
| 52 | A | 89.1 | Confident | 87.6 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y48 R56 W100 | Y48-A52 HydrophobicContact CE1-CB 4.35Å; Y48-A52 HydrophobicContact CE2-CB 4.4Å; Y48-A52 WeakPolarHBondContact O-CA 3.25Å; Y48-A52 WeakPolarHBondContact O-CB 3.48Å; Y48-A52 PolarHBondContact O-N 3.49Å; A52-R56 WeakPolarHBondContact O-CB 3.5Å; A52-R56 PolarHBondContact O-N 3.08Å; A52-W100 HydrophobicContact CB-CZ2 3.82Å; A52-W100 VanDerWaalsContact CB-NE1 3.32Å |
| 53 | K | 90.3 | Very high | 88.9 | Confident | 152 Ų | 152 | 59.9 Ų | 59.9 | 66% | 0.661 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 175 | -174.8 | 177.4 | 178.5 | -179.7 | 0 | 111.5 | R49 T50 L51 Y57 | R49-K53 WeakPolarHBondContact O-CB 3.27Å; R49-K53 PolarHBondContact O-N 2.76Å; T50-K53 PolarHBondContact O-N 3.25Å; L51-K53 VanDerWaalsContact C-N 3.29Å; L51-K53 PolarHBondContact O-N 2.78Å; K53-Y57 WeakPolarHBondContact O-CD2 3.27Å |
| 54 | I | 91.4 | Very high | 89.9 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -56.9 | 176.6 | -63.4 | 166.3 | 0 | 0 | 0 | 109.6 | I18 T50 L51 R56 Y57 V58 L66 | I18-I54 HydrophobicContact CG2-CD1 3.84Å; T50-I54 HydrophobicContact CG2-CD1 4.4Å; T50-I54 WeakPolarHBondContact O-CG1 3.3Å; T50-I54 PolarHBondContact O-N 2.92Å; T50-I54 VanDerWaalsContact O-N 3.16Å; L51-I54 PolarHBondContact O-N 2.85Å; L51-I54 VanDerWaalsContact O-N 3.13Å; I54-R56 PolarHBondContact O-N 3.42Å; I54-R56 VanDerWaalsContact O-N 3.16Å; I54-Y57 PolarHBondContact O-N 2.93Å; I54-Y57 VanDerWaalsContact O-N 3.09Å; I54-V58 WeakPolarHBondContact O-CB 3.46Å; I54-V58 PolarHBondContact O-N 2.9Å; I54-L66 HydrophobicContact CG2-CD1 3.74Å |
| 55 | L | 91.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -27.4 | -175.6 | -69.7 | 163.5 | 0 | 0 | 0 | 113.2 | L51 Y57 V58 F63 L66 T96 I97 W100 K105 | L51-L55 HydrophobicContact CB-CD1 4.31Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.3Å; L51-L55 PolarHBondContact O-N 3.12Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; L55-Y57 PolarHBondContact O-N 3.42Å; L55-V58 HydrophobicContact CD2-CG1 4.41Å; L55-F63 HydrophobicContact CD2-CD2 4.03Å; L55-F63 HydrophobicContact CD2-CE2 3.95Å; L55-L66 HydrophobicContact CD2-CD1 4.1Å; L55-L66 HydrophobicContact CD2-CD2 4.38Å; L55-L66 HydrophobicContact CG-CD1 4.46Å; L55-T96 HydrophobicContact CD1-CG2 4.05Å; L55-I97 HydrophobicContact CD1-CG1 4.3Å; L55-W100 HydrophobicContact CB-CB 3.89Å; L55-W100 HydrophobicContact CB-CD2 4.04Å; L55-W100 HydrophobicContact CB-CE3 4.46Å; L55-W100 HydrophobicContact CB-CG 3.76Å; L55-W100 HydrophobicContact CD1-CB 3.91Å; L55-W100 HydrophobicContact CD1-CG 3.98Å; L55-W100 HydrophobicContact CG-CB 4.37Å; L55-W100 HydrophobicContact CG-CG 4.49Å; L55-K105 WeakPolarHBondContact O-CE 3.46Å |
| 56 | R | 88.9 | Confident | 91.1 | Very high | 135 Ų | 135 | 63.8 Ų | 63.8 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 175.4 | -176.8 | 179.5 | -63.1 | -174.6 | -3.6 | 112.9 | A52 I54 W100 | A52-R56 WeakPolarHBondContact O-CB 3.5Å; A52-R56 PolarHBondContact O-N 3.08Å; I54-R56 PolarHBondContact O-N 3.42Å; I54-R56 VanDerWaalsContact O-N 3.16Å; R56-W100 HydrophobicContact CB-CH2 3.77Å; R56-W100 HydrophobicContact CB-CZ2 4.49Å; R56-W100 HydrophobicContact CB-CZ3 3.84Å; R56-W100 HydrophobicContact CG-CH2 4.04Å; R56-W100 HydrophobicContact CG-CZ3 4.14Å |
| 57 | Y | 90.1 | Very high | 91.7 | Very high | 175 Ų | 175 | 59.6 Ų | 59.6 | 69% | 0.686 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -112.7 | -3.6 | -171.5 | -59.2 | -70 | 0 | 0 | 0 | 113.8 | K53 I54 L55 | K53-Y57 WeakPolarHBondContact O-CD2 3.27Å; I54-Y57 PolarHBondContact O-N 2.93Å; I54-Y57 VanDerWaalsContact O-N 3.09Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; L55-Y57 PolarHBondContact O-N 3.42Å |
| 58 | V | 92.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | trans | -68.5 | 135.7 | 179.6 | 80 | 0 | 0 | 0 | 0 | 111 | I54 L55 F63 K105 F110 | I54-V58 WeakPolarHBondContact O-CB 3.46Å; I54-V58 PolarHBondContact O-N 2.9Å; L55-V58 HydrophobicContact CD2-CG1 4.41Å; V58-F63 HydrophobicContact CG1-CB 4.21Å; V58-F63 HydrophobicContact CG1-CD2 4.49Å; V58-F63 HydrophobicContact CG2-CB 4.34Å; V58-F63 VanDerWaalsContact CG2-N 3.29Å; V58-K105 PolarHBondContact O-NZ 3.34Å; V58-F110 HydrophobicContact CG1-CE1 4.13Å | ||
| 59 | D | 93.9 | Very high | 92.5 | Very high | 100 Ų | 100 | 62.3 Ų | 62.3 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | trans | -84.6 | -175 | 166.7 | 58.1 | 5.6 | 0 | 0 | 0 | 110.7 | G62 F63 | D59-G62 WeakPolarHBondContact OD1-CA 3.49Å; D59-G62 PolarHBondContact OD1-N 2.96Å; D59-F63 VanDerWaalsContact O-CB 3.29Å; D59-F63 WeakPolarHBondContact O-CB 3.32Å; D59-F63 PolarHBondContact O-N 3.13Å | ||
| 60 | L | 95.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | -178.1 | -75.7 | 170.7 | 0 | 0 | 0 | 112.1 | F63 D64 D109 F110 L113 | L60-F63 WeakPolarHBondContact O-CB 3.45Å; L60-F63 PolarHBondContact O-N 3.5Å; L60-F63 VanDerWaalsContact O-N 3.15Å; L60-D64 PolarHBondContact O-N 3.18Å; L60-D109 HydrophobicContact CD1-CB 3.82Å; L60-D109 HydrophobicContact CD2-CB 3.82Å; L60-D109 HydrophobicContact CG-CB 4.43Å; L60-F110 HydrophobicContact CD2-CD1 4.27Å; L60-F110 HydrophobicContact CD2-CD2 3.57Å; L60-F110 HydrophobicContact CD2-CE1 4.32Å; L60-F110 HydrophobicContact CD2-CE2 3.65Å; L60-F110 HydrophobicContact CD2-CG 3.89Å; L60-F110 HydrophobicContact CD2-CZ 4.03Å; L60-F110 HydrophobicContact CG-CD2 4.38Å; L60-F110 HydrophobicContact CG-CE2 3.99Å; L60-F110 HydrophobicContact CG-CZ 4.28Å; L60-L113 HydrophobicContact CD2-CD2 4.36Å; L60-L113 WeakPolarHBondContact O-CD2 3.4Å |
| 61 | D | 94.6 | Very high | 93 | Very high | 123 Ų | 123 | 52.9 Ų | 52.9 | 66% | 0.658 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 179.5 | -66.4 | -30.3 | 0 | 0 | 0 | 111.4 | F63 D64 I65 | D61-F63 PolarHBondContact O-N 3.41Å; D61-D64 VanDerWaalsContact O-CB 3.31Å; D61-D64 WeakPolarHBondContact O-CB 3.5Å; D61-D64 PolarHBondContact O-N 2.85Å; D61-I65 WeakPolarHBondContact O-CG1 3.25Å; D61-I65 PolarHBondContact O-N 3.24Å; D61-I65 VanDerWaalsContact O-N 3.08Å |
| 62 | G | 94.1 | Very high | 93 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D59 L66 | D59-G62 WeakPolarHBondContact OD1-CA 3.49Å; D59-G62 PolarHBondContact OD1-N 2.96Å; G62-L66 WeakPolarHBondContact O-CB 3.42Å; G62-L66 PolarHBondContact O-N 2.96Å |
| 63 | F | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 176.1 | -173.2 | -122 | 0 | 0 | 0 | 111.8 | L55 V58 D59 L60 D61 I65 L66 L67 I97 V101 F110 L113 L114 | L55-F63 HydrophobicContact CD2-CD2 4.03Å; L55-F63 HydrophobicContact CD2-CE2 3.95Å; V58-F63 HydrophobicContact CG1-CB 4.21Å; V58-F63 HydrophobicContact CG1-CD2 4.49Å; V58-F63 HydrophobicContact CG2-CB 4.34Å; V58-F63 VanDerWaalsContact CG2-N 3.29Å; D59-F63 VanDerWaalsContact O-CB 3.29Å; D59-F63 WeakPolarHBondContact O-CB 3.32Å; D59-F63 PolarHBondContact O-N 3.13Å; L60-F63 WeakPolarHBondContact O-CB 3.45Å; L60-F63 PolarHBondContact O-N 3.5Å; L60-F63 VanDerWaalsContact O-N 3.15Å; D61-F63 PolarHBondContact O-N 3.41Å; F63-I65 VanDerWaalsContact C-N 3.32Å; F63-I65 PolarHBondContact O-N 3.12Å; F63-L66 HydrophobicContact CD2-CD2 4.26Å; F63-L66 HydrophobicContact CE2-CD2 4.17Å; F63-L66 PolarHBondContact O-N 3.31Å; F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CD2-CG 4.49Å; F63-L67 HydrophobicContact CE1-CD1 3.57Å; F63-L67 HydrophobicContact CE1-CG 4.12Å; F63-L67 HydrophobicContact CE2-CD1 4.44Å; F63-L67 HydrophobicContact CE2-CD2 4.18Å; F63-L67 HydrophobicContact CE2-CG 4.09Å; F63-L67 HydrophobicContact CZ-CD1 3.78Å; F63-L67 HydrophobicContact CZ-CD2 3.92Å; F63-L67 HydrophobicContact CZ-CG 3.88Å; F63-L67 WeakPolarHBondContact O-CG 3.36Å; F63-L67 PolarHBondContact O-N 3.29Å; F63-I97 HydrophobicContact CE2-CG2 4.17Å; F63-I97 HydrophobicContact CZ-CG2 4.24Å; F63-V101 HydrophobicContact CE1-CG2 4.14Å; F63-V101 HydrophobicContact CE2-CG2 3.93Å; F63-V101 HydrophobicContact CZ-CG2 3.44Å; F63-V101 VanDerWaalsContact CZ-CG2 3.44Å; F63-F110 HydrophobicContact CB-CD1 4.02Å; F63-F110 HydrophobicContact CB-CE1 3.71Å; F63-F110 HydrophobicContact CD1-CB 4.47Å; F63-F110 AromaticContact CD1-CD1 3.46Å; F63-F110 HydrophobicContact CD1-CD1 3.46Å; F63-F110 VanDerWaalsContact CD1-CD1 3.46Å; F63-F110 HydrophobicContact CD1-CE1 4.08Å; F63-F110 HydrophobicContact CD1-CG 4.32Å; F63-F110 HydrophobicContact CD2-CD1 4.35Å; F63-F110 HydrophobicContact CE1-CB 4.38Å; F63-F110 AromaticContact CE1-CD1 3.99Å; F63-F110 HydrophobicContact CE1-CD1 3.99Å; F63-F110 WeakPolarHBondContact CE1-O 3.47Å; F63-F110 AromaticContact CG-CD1 3.68Å; F63-F110 HydrophobicContact CG-CD1 3.68Å; F63-F110 AromaticContact CG-CE1 3.88Å; F63-F110 HydrophobicContact CG-CE1 3.88Å; F63-L113 HydrophobicContact CD1-CD2 4.04Å; F63-L113 HydrophobicContact CD1-CG 4.49Å; F63-L114 HydrophobicContact CE1-CB 4.27Å; F63-L114 HydrophobicContact CZ-CB 4.49Å; F63-L114 HydrophobicContact CZ-CD1 4.39Å |
| 64 | D | 96.1 | Very high | 93 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.1 | -47.3 | 170.7 | -166.3 | 78.9 | 0 | 0 | 0 | 111.4 | L60 D61 L67 T68 L113 K117 | L60-D64 PolarHBondContact O-N 3.18Å; D61-D64 VanDerWaalsContact O-CB 3.31Å; D61-D64 WeakPolarHBondContact O-CB 3.5Å; D61-D64 PolarHBondContact O-N 2.85Å; D64-L67 PolarHBondContact O-N 2.92Å; D64-T68 WeakPolarHBondContact O-CB 3.42Å; D64-T68 PolarHBondContact O-N 3.16Å; D64-T68 PolarHBondContact O-OG1 3.24Å; D64-L113 HydrophobicContact CB-CD2 4.03Å; D64-L113 WeakPolarHBondContact OD1-CD1 3.34Å; D64-K117 WeakPolarHBondContact OD1-CE 3.47Å; D64-K117 IonicContact OD1-NZ 2.81Å; D64-K117 PolarHBondContact OD1-NZ 2.87Å; D64-K117 WeakPolarHBondContact OD2-CE 3.5Å; D64-K117 IonicContact OD2-NZ 3.27Å; D64-K117 PolarHBondContact OD2-NZ 3.27Å |
| 65 | I | 94.4 | Very high | 92.8 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 52% | 0.518 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 177 | -65 | 167 | 0 | 0 | 0 | 110 | D61 F63 L67 T68 D69 | D61-I65 WeakPolarHBondContact O-CG1 3.25Å; D61-I65 PolarHBondContact O-N 3.24Å; D61-I65 VanDerWaalsContact O-N 3.08Å; F63-I65 VanDerWaalsContact C-N 3.32Å; F63-I65 PolarHBondContact O-N 3.12Å; I65-L67 PolarHBondContact O-N 3.35Å; I65-T68 PolarHBondContact O-N 3.43Å; I65-D69 WeakPolarHBondContact O-CB 3.49Å; I65-D69 PolarHBondContact O-N 3.23Å |
| 66 | L | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 178.8 | -177.6 | 146.8 | 0 | 0 | 0 | 112.2 | F19 I54 L55 G62 F63 D69 Y70 I97 | F19-L66 HydrophobicContact CE2-CG 4.33Å; F19-L66 WeakPolarHBondContact CE2-O 3.49Å; F19-L66 HydrophobicContact CZ-CD2 4.15Å; F19-L66 HydrophobicContact CZ-CG 4.23Å; I54-L66 HydrophobicContact CG2-CD1 3.74Å; L55-L66 HydrophobicContact CD2-CD1 4.1Å; L55-L66 HydrophobicContact CD2-CD2 4.38Å; L55-L66 HydrophobicContact CG-CD1 4.46Å; G62-L66 WeakPolarHBondContact O-CB 3.42Å; G62-L66 PolarHBondContact O-N 2.96Å; F63-L66 HydrophobicContact CD2-CD2 4.26Å; F63-L66 HydrophobicContact CE2-CD2 4.17Å; F63-L66 PolarHBondContact O-N 3.31Å; L66-D69 PolarHBondContact O-N 3.29Å; L66-Y70 PolarHBondContact O-N 2.91Å; L66-I97 HydrophobicContact CD2-CD1 4.03Å; L66-I97 HydrophobicContact CD2-CG1 4.2Å |
| 67 | L | 95.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 177 | -71.7 | 176.8 | 0 | 0 | 0 | 111.8 | F63 D64 I65 D69 Y70 I71 I97 L114 K117 L131 | F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CD2-CG 4.49Å; F63-L67 HydrophobicContact CE1-CD1 3.57Å; F63-L67 HydrophobicContact CE1-CG 4.12Å; F63-L67 HydrophobicContact CE2-CD1 4.44Å; F63-L67 HydrophobicContact CE2-CD2 4.18Å; F63-L67 HydrophobicContact CE2-CG 4.09Å; F63-L67 HydrophobicContact CZ-CD1 3.78Å; F63-L67 HydrophobicContact CZ-CD2 3.92Å; F63-L67 HydrophobicContact CZ-CG 3.88Å; F63-L67 WeakPolarHBondContact O-CG 3.36Å; F63-L67 PolarHBondContact O-N 3.29Å; D64-L67 PolarHBondContact O-N 2.92Å; I65-L67 PolarHBondContact O-N 3.35Å; L67-D69 VanDerWaalsContact C-N 3.3Å; L67-D69 PolarHBondContact O-N 2.91Å; L67-Y70 WeakPolarHBondContact O-CB 3.35Å; L67-Y70 PolarHBondContact O-N 3.47Å; L67-I71 WeakPolarHBondContact O-CG1 3.4Å; L67-I71 PolarHBondContact O-N 3.27Å; L67-I97 HydrophobicContact CD2-CG2 4.49Å; L67-L114 HydrophobicContact CD1-CB 4.3Å; L67-K117 HydrophobicContact CB-CB 4.47Å; L67-K117 HydrophobicContact CB-CG 4.34Å; L67-K117 HydrophobicContact CD1-CB 4.16Å; L67-K117 HydrophobicContact CD1-CG 4.1Å; L67-L131 HydrophobicContact CD2-CD2 4.48Å |
| 68 | T | 94.8 | Very high | 89.7 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 37% | 0.368 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | D64 I65 I71 A72 K117 | D64-T68 WeakPolarHBondContact O-CB 3.42Å; D64-T68 PolarHBondContact O-N 3.16Å; D64-T68 PolarHBondContact O-OG1 3.24Å; I65-T68 PolarHBondContact O-N 3.43Å; T68-I71 PolarHBondContact O-N 2.75Å; T68-A72 WeakPolarHBondContact O-CB 3.39Å; T68-A72 PolarHBondContact O-N 3.11Å; T68-K117 PolarHBondContact OG1-NZ 3.02Å |
| 69 | D | 93 | Very high | 87.7 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 174.5 | -100.6 | -5.4 | 0 | 0 | 0 | 112.4 | N17 I18 F19 I65 L66 L67 F73 | N17-D69 WeakPolarHBondContact CA-OD2 3.35Å; N17-D69 VanDerWaalsContact ND2-CA 3.29Å; N17-D69 WeakPolarHBondContact ND2-CA 3.41Å; N17-D69 WeakPolarHBondContact ND2-CB 3.34Å; N17-D69 PolarHBondContact ND2-O 3.25Å; N17-D69 PolarHBondContact ND2-OD1 3.35Å; I18-D69 PolarHBondContact N-OD2 3.3Å; F19-D69 HydrophobicContact CD2-CB 4.16Å; F19-D69 HydrophobicContact CE2-CB 4.25Å; I65-D69 WeakPolarHBondContact O-CB 3.49Å; I65-D69 PolarHBondContact O-N 3.23Å; L66-D69 PolarHBondContact O-N 3.29Å; L67-D69 VanDerWaalsContact C-N 3.3Å; L67-D69 PolarHBondContact O-N 2.91Å; D69-F73 VanDerWaalsContact O-CB 3.22Å; D69-F73 WeakPolarHBondContact O-CB 3.37Å; D69-F73 PolarHBondContact O-N 3.31Å |
| 70 | Y | 92.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 177 | 179.1 | -103.2 | 0 | 0 | 0 | 111.3 | F19 L66 L67 F73 V74 C93 V94 I97 L129 L131 | F19-Y70 HydrophobicContact CD1-CD2 4.09Å; F19-Y70 HydrophobicContact CD2-CD2 4.42Å; F19-Y70 AromaticContact CE1-CD2 3.78Å; F19-Y70 HydrophobicContact CE1-CD2 3.78Å; F19-Y70 VanDerWaalsContact CE2-CB 3.47Å; F19-Y70 HydrophobicContact CE2-CD2 4.16Å; F19-Y70 HydrophobicContact CE2-CG 4.32Å; F19-Y70 HydrophobicContact CG-CD2 4.4Å; F19-Y70 AromaticContact CZ-CD2 3.82Å; F19-Y70 HydrophobicContact CZ-CD2 3.82Å; F19-Y70 HydrophobicContact CZ-CG 4.2Å; L66-Y70 PolarHBondContact O-N 2.91Å; L67-Y70 WeakPolarHBondContact O-CB 3.35Å; L67-Y70 PolarHBondContact O-N 3.47Å; Y70-F73 WeakPolarHBondContact O-CB 3.46Å; Y70-F73 PolarHBondContact O-N 2.92Å; Y70-V74 HydrophobicContact CD1-CG2 4.39Å; Y70-V74 HydrophobicContact CD2-CG2 4.35Å; Y70-V74 HydrophobicContact CE1-CG2 3.82Å; Y70-V74 HydrophobicContact CE2-CG2 3.8Å; Y70-V74 VanDerWaalsContact CZ-CG2 3.48Å; Y70-V74 WeakPolarHBondContact O-CG2 3.35Å; Y70-V74 PolarHBondContact O-N 3.42Å; Y70-C93 HydrophobicContact CD2-CB 4.43Å; Y70-C93 HydrophobicContact CE2-CB 3.98Å; Y70-V94 HydrophobicContact CE1-CG2 4.14Å; Y70-V94 HydrophobicContact CE2-CG2 4.27Å; Y70-V94 WeakPolarHBondContact OH-CG2 3.49Å; Y70-I97 HydrophobicContact CD2-CD1 4.43Å; Y70-I97 HydrophobicContact CG-CD1 4.44Å; Y70-L129 HydrophobicContact CD1-CD2 4.08Å; Y70-L129 HydrophobicContact CE1-CD2 3.73Å; Y70-L131 HydrophobicContact CD1-CD1 4.35Å; Y70-L131 HydrophobicContact CE1-CD1 3.81Å |
| 71 | I | 92.9 | Very high | 84.9 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -52.7 | 178.7 | -69.1 | 164.4 | 0 | 0 | 0 | 110 | L67 T68 F73 V74 E75 K117 L129 | L67-I71 WeakPolarHBondContact O-CG1 3.4Å; L67-I71 PolarHBondContact O-N 3.27Å; T68-I71 PolarHBondContact O-N 2.75Å; I71-F73 PolarHBondContact O-N 3.47Å; I71-V74 PolarHBondContact O-N 2.94Å; I71-V74 VanDerWaalsContact O-N 3.16Å; I71-E75 HydrophobicContact CG2-CG 4.41Å; I71-E75 WeakPolarHBondContact O-CG 3.39Å; I71-E75 PolarHBondContact O-N 3.26Å; I71-K117 HydrophobicContact CD1-CB 4.19Å; I71-L129 HydrophobicContact CB-CD2 4.41Å; I71-L129 HydrophobicContact CG1-CD2 4.06Å; I71-L129 HydrophobicContact CG2-CD1 4.26Å |
| 72 | A | 90.9 | Very high | 83.8 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -31.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T68 K76 | T68-A72 WeakPolarHBondContact O-CB 3.39Å; T68-A72 PolarHBondContact O-N 3.11Å; A72-K76 WeakPolarHBondContact O-CB 3.43Å; A72-K76 VanDerWaalsContact O-CG 3.29Å; A72-K76 WeakPolarHBondContact O-CG 3.42Å; A72-K76 PolarHBondContact O-N 3.2Å |
| 73 | F | 89.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -52.6 | 174.2 | 168.1 | -101.7 | 0 | 0 | 0 | 111.3 | F13 F19 I23 D69 Y70 I71 E75 K76 S77 F89 T90 | F13-F73 HydrophobicContact CZ-CD2 4.46Å; F19-F73 HydrophobicContact CB-CB 3.95Å; F19-F73 HydrophobicContact CB-CD1 3.99Å; F19-F73 HydrophobicContact CB-CD2 4.07Å; F19-F73 HydrophobicContact CB-CG 3.68Å; I23-F73 HydrophobicContact CD1-CE1 4.24Å; I23-F73 HydrophobicContact CD1-CE2 3.41Å; I23-F73 VanDerWaalsContact CD1-CE2 3.41Å; I23-F73 HydrophobicContact CD1-CZ 3.19Å; I23-F73 HydrophobicContact CG1-CZ 4.49Å; D69-F73 VanDerWaalsContact O-CB 3.22Å; D69-F73 WeakPolarHBondContact O-CB 3.37Å; D69-F73 PolarHBondContact O-N 3.31Å; Y70-F73 WeakPolarHBondContact O-CB 3.46Å; Y70-F73 PolarHBondContact O-N 2.92Å; I71-F73 PolarHBondContact O-N 3.47Å; F73-E75 PolarHBondContact O-N 2.96Å; F73-K76 PolarHBondContact O-N 3.1Å; F73-S77 WeakPolarHBondContact O-CB 3.38Å; F73-S77 PolarHBondContact O-N 2.84Å; F73-S77 PolarHBondContact O-OG 2.98Å; F73-S77 VanDerWaalsContact O-OG 3.12Å; F73-F89 HydrophobicContact CD1-CE1 4.43Å; F73-F89 AromaticContact CE1-CD1 3.78Å; F73-F89 HydrophobicContact CE1-CD1 3.78Å; F73-F89 AromaticContact CE1-CE1 3.74Å; F73-F89 HydrophobicContact CE1-CE1 3.74Å; F73-F89 AromaticContact CZ-CD1 3.97Å; F73-F89 HydrophobicContact CZ-CD1 3.97Å; F73-F89 AromaticContact CZ-CE1 3.96Å; F73-F89 HydrophobicContact CZ-CE1 3.96Å; F73-T90 HydrophobicContact CE1-CG2 4.07Å |
| 74 | V | 88.6 | Confident | 81.7 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 14% | 0.139 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | -177.4 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | Y70 I71 K76 S77 T90 N128 L129 | Y70-V74 HydrophobicContact CD1-CG2 4.39Å; Y70-V74 HydrophobicContact CD2-CG2 4.35Å; Y70-V74 HydrophobicContact CE1-CG2 3.82Å; Y70-V74 HydrophobicContact CE2-CG2 3.8Å; Y70-V74 VanDerWaalsContact CZ-CG2 3.48Å; Y70-V74 WeakPolarHBondContact O-CG2 3.35Å; Y70-V74 PolarHBondContact O-N 3.42Å; I71-V74 PolarHBondContact O-N 2.94Å; I71-V74 VanDerWaalsContact O-N 3.16Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 3.4Å; V74-S77 PolarHBondContact O-OG 3.16Å; V74-T90 HydrophobicContact CG2-CG2 4.01Å; V74-N128 HydrophobicContact CG1-CB 4.11Å; V74-L129 HydrophobicContact CB-CD2 3.69Å; V74-L129 HydrophobicContact CB-CG 4.21Å; V74-L129 HydrophobicContact CG1-CD1 4.37Å; V74-L129 HydrophobicContact CG1-CD2 3.89Å; V74-L129 HydrophobicContact CG1-CG 3.9Å; V74-L129 HydrophobicContact CG2-CD2 3.9Å |
| 75 | E | 87.2 | Confident | 80.8 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.7 | -31.2 | 178.3 | -69.4 | -179.3 | 155.4 | 0 | 0 | 112.7 | I71 F73 Y121 L129 | I71-E75 HydrophobicContact CG2-CG 4.41Å; I71-E75 WeakPolarHBondContact O-CG 3.39Å; I71-E75 PolarHBondContact O-N 3.26Å; F73-E75 PolarHBondContact O-N 2.96Å; E75-Y121 PolarHBondContact OE1-OH 2.86Å; E75-L129 HydrophobicContact CG-CD1 3.97Å |
| 76 | K | 81.6 | Confident | 80.1 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -100.1 | -16.8 | -176.5 | -65.7 | 177.9 | -178.1 | 176.1 | 0 | 114.2 | F13 A72 F73 V74 G78 | F13-K76 HydrophobicContact CD1-CD 4.38Å; F13-K76 HydrophobicContact CE1-CB 3.73Å; F13-K76 HydrophobicContact CE1-CD 3.95Å; F13-K76 HydrophobicContact CE1-CG 4.47Å; F13-K76 HydrophobicContact CZ-CB 3.99Å; A72-K76 WeakPolarHBondContact O-CB 3.43Å; A72-K76 VanDerWaalsContact O-CG 3.29Å; A72-K76 WeakPolarHBondContact O-CG 3.42Å; A72-K76 PolarHBondContact O-N 3.2Å; F73-K76 PolarHBondContact O-N 3.1Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 3.4Å; K76-G78 VanDerWaalsContact C-N 3.34Å; K76-G78 PolarHBondContact O-N 3.07Å |
| 77 | S | 67.1 | Low | 79.4 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77.9 | -16.9 | -172.1 | 62.7 | 0 | 0 | 0 | 0 | 114 | F73 V74 H79 R80 N86 | F73-S77 WeakPolarHBondContact O-CB 3.38Å; F73-S77 PolarHBondContact O-N 2.84Å; F73-S77 PolarHBondContact O-OG 2.98Å; F73-S77 VanDerWaalsContact O-OG 3.12Å; V74-S77 PolarHBondContact O-OG 3.16Å; S77-H79 PolarHBondContact O-N 3.09Å; S77-R80 PolarHBondContact O-N 3.44Å; S77-N86 PolarHBondContact O-ND2 2.88Å |
| 78 | G | 56.6 | Low | 78.7 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -5.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | K76 | K76-G78 VanDerWaalsContact C-N 3.34Å; K76-G78 PolarHBondContact O-N 3.07Å |
| 79 | H | 52.4 | Low | 78.2 | Confident | 190 Ų | 190 | 58.9 Ų | 58.9 | 88% | 0.88 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 2.7 | -176.4 | -61 | 0.5 | 0 | 0 | 0 | 114.4 | S77 | S77-H79 PolarHBondContact O-N 3.09Š|
| 80 | R | 62.2 | Low | 78 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 30% | 0.302 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -33 | -169.6 | -87.9 | -174 | 170.4 | -155.2 | -3.9 | 117.1 | T11 S77 | T11-R80 PolarHBondContact O-NH2 2.88Å; T11-R80 PolarHBondContact OG1-NH2 3.39Å; S77-R80 PolarHBondContact O-N 3.44Å |
| 81 | F | 66.7 | Low | 77.6 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 23% | 0.232 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -126.8 | 163.8 | -174.8 | -54.1 | -76.3 | 0 | 0 | 0 | 109.8 | I23 V27 L83 F85 N86 | I23-F81 HydrophobicContact CB-CZ 4.45Å; I23-F81 HydrophobicContact CD1-CD2 4.47Å; I23-F81 HydrophobicContact CD1-CE2 4.12Å; I23-F81 HydrophobicContact CG2-CD1 4.44Å; I23-F81 HydrophobicContact CG2-CD2 4.47Å; I23-F81 HydrophobicContact CG2-CE1 3.74Å; I23-F81 HydrophobicContact CG2-CE2 3.78Å; I23-F81 HydrophobicContact CG2-CZ 3.36Å; V27-F81 HydrophobicContact CG2-CE1 4.19Å; F81-L83 PolarHBondContact O-N 3.34Å; F81-F85 HydrophobicContact CB-CD1 4.08Å; F81-F85 HydrophobicContact CG-CD1 4.41Å; F81-N86 WeakPolarHBondContact CD2-OD1 3.43Å; F81-N86 PolarHBondContact O-ND2 2.93Å |
| 82 | E | 72.1 | Confident | 77.2 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | trans | -54.3 | 136.9 | 171.8 | -69.1 | -179 | 177.5 | 0 | 0 | 110.1 | N84 F85 N86 | E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 3.31Å; E82-F85 HydrophobicContact CB-CB 4.5Å; E82-F85 PolarHBondContact O-N 3.12Å; E82-N86 PolarHBondContact O-N 2.96Å; E82-N86 VanDerWaalsContact O-N 3.07Å | ||
| 83 | L | 72.7 | Confident | 77.2 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 64% | 0.644 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -54.1 | -44.7 | -174.3 | -177.4 | 67.8 | 0 | 0 | 0 | 111.8 | F81 N86 L87 | F81-L83 PolarHBondContact O-N 3.34Å; L83-N86 PolarHBondContact O-N 2.82Å; L83-L87 HydrophobicContact CG-CD1 4.29Å; L83-L87 WeakPolarHBondContact O-CG 3.25Å; L83-L87 PolarHBondContact O-N 2.83Å |
| 84 | N | 74.1 | Confident | 77.2 | Confident | 114 Ų | 114 | 61 Ų | 61 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | -178.4 | -65.8 | -8.3 | 0 | 0 | 0 | 112 | E82 N86 L87 E88 | E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 3.31Å; N84-N86 VanDerWaalsContact C-N 3.34Å; N84-N86 PolarHBondContact O-N 2.72Å; N84-L87 PolarHBondContact O-N 2.79Å; N84-E88 WeakPolarHBondContact O-CG 3.25Å; N84-E88 PolarHBondContact O-N 2.92Å |
| 85 | F | 77.2 | Confident | 77.1 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.1 | 176.2 | -97.1 | 0 | 0 | 0 | 112 | I23 I26 L35 Y43 F81 E82 L87 E88 F89 | I23-F85 HydrophobicContact CG2-CE1 4.13Å; I26-F85 HydrophobicContact CG2-CZ 4.47Å; L35-F85 HydrophobicContact CD2-CD2 4.02Å; L35-F85 HydrophobicContact CD2-CE2 3.78Å; L35-F85 HydrophobicContact CD2-CZ 4.41Å; Y43-F85 HydrophobicContact CD1-CE2 4.36Å; Y43-F85 HydrophobicContact CE1-CD2 4.22Å; Y43-F85 AromaticContact CE1-CE2 3.88Å; Y43-F85 HydrophobicContact CE1-CE2 3.88Å; Y43-F85 HydrophobicContact CE2-CE2 4.2Å; Y43-F85 AromaticContact CZ-CE2 3.8Å; F81-F85 HydrophobicContact CB-CD1 4.08Å; F81-F85 HydrophobicContact CG-CD1 4.41Å; E82-F85 HydrophobicContact CB-CB 4.5Å; E82-F85 PolarHBondContact O-N 3.12Å; F85-L87 VanDerWaalsContact C-N 3.34Å; F85-L87 PolarHBondContact O-N 3Å; F85-E88 PolarHBondContact O-N 3.25Å; F85-F89 VanDerWaalsContact O-CB 3.29Å; F85-F89 WeakPolarHBondContact O-CB 3.31Å; F85-F89 PolarHBondContact O-N 3.49Å |
| 86 | N | 79.2 | Confident | 77.2 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.4 | -88.8 | -27.8 | 0 | 0 | 0 | 111.7 | S77 F81 E82 L83 N84 F89 T90 | S77-N86 PolarHBondContact O-ND2 2.88Å; F81-N86 WeakPolarHBondContact CD2-OD1 3.43Å; F81-N86 PolarHBondContact O-ND2 2.93Å; E82-N86 PolarHBondContact O-N 2.96Å; E82-N86 VanDerWaalsContact O-N 3.07Å; L83-N86 PolarHBondContact O-N 2.82Å; N84-N86 VanDerWaalsContact C-N 3.34Å; N84-N86 PolarHBondContact O-N 2.72Å; N86-F89 PolarHBondContact O-N 3.19Å; N86-T90 WeakPolarHBondContact O-CB 3.23Å; N86-T90 VanDerWaalsContact O-CG2 3.27Å; N86-T90 WeakPolarHBondContact O-CG2 3.35Å; N86-T90 PolarHBondContact O-N 3.48Å; N86-T90 PolarHBondContact O-OG1 2.68Å |
| 87 | L | 79.9 | Confident | 77.7 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.3 | -51.9 | 177.9 | -69.2 | 173.4 | 0 | 0 | 0 | 111.1 | L83 N84 F85 F89 T90 E91 | L83-L87 HydrophobicContact CG-CD1 4.29Å; L83-L87 WeakPolarHBondContact O-CG 3.25Å; L83-L87 PolarHBondContact O-N 2.83Å; N84-L87 PolarHBondContact O-N 2.79Å; F85-L87 VanDerWaalsContact C-N 3.34Å; F85-L87 PolarHBondContact O-N 3Å; L87-F89 PolarHBondContact O-N 2.92Å; L87-T90 WeakPolarHBondContact CA-OG1 3.46Å; L87-T90 PolarHBondContact O-N 3.47Å; L87-T90 PolarHBondContact O-OG1 2.65Å; L87-E91 WeakPolarHBondContact O-CB 3.38Å; L87-E91 PolarHBondContact O-N 3.35Å |
| 88 | E | 81 | Confident | 78.9 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.5 | -46 | 177.6 | -70.1 | 177.6 | -178.5 | 0 | 0 | 111.9 | Y43 N84 F85 T90 E91 I92 | Y43-E88 VanDerWaalsContact OH-CB 3.3Å; Y43-E88 WeakPolarHBondContact OH-CB 3.33Å; Y43-E88 PolarHBondContact OH-OE2 2.91Å; N84-E88 WeakPolarHBondContact O-CG 3.25Å; N84-E88 PolarHBondContact O-N 2.92Å; F85-E88 PolarHBondContact O-N 3.25Å; E88-T90 PolarHBondContact O-N 2.94Å; E88-E91 PolarHBondContact O-N 3.03Å; E88-I92 WeakPolarHBondContact O-CD1 3.27Å; E88-I92 WeakPolarHBondContact O-CG1 3.44Å; E88-I92 PolarHBondContact O-N 3.04Å |
| 89 | F | 85.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 177.9 | 179.6 | -89.2 | 0 | 0 | 0 | 111.9 | F19 L22 I23 I26 I47 F73 F85 N86 L87 E91 I92 C93 | F19-F89 HydrophobicContact CB-CE1 4.35Å; F19-F89 HydrophobicContact CD1-CE1 4.26Å; F19-F89 HydrophobicContact CD1-CZ 4.42Å; L22-F89 HydrophobicContact CB-CZ 4.32Å; L22-F89 HydrophobicContact CD2-CE2 4.18Å; L22-F89 HydrophobicContact CD2-CZ 4.02Å; L22-F89 HydrophobicContact CG-CE2 4.23Å; L22-F89 HydrophobicContact CG-CZ 4.3Å; I23-F89 HydrophobicContact CD1-CD1 3.67Å; I23-F89 HydrophobicContact CD1-CD2 4.13Å; I23-F89 HydrophobicContact CD1-CE1 3.63Å; I23-F89 HydrophobicContact CD1-CE2 4.11Å; I23-F89 HydrophobicContact CD1-CG 3.93Å; I23-F89 HydrophobicContact CD1-CZ 3.87Å; I23-F89 HydrophobicContact CG1-CD1 4.03Å; I23-F89 HydrophobicContact CG1-CD2 3.68Å; I23-F89 HydrophobicContact CG1-CE1 3.71Å; I23-F89 HydrophobicContact CG1-CE2 3.35Å; I23-F89 HydrophobicContact CG1-CG 4.02Å; I23-F89 HydrophobicContact CG1-CZ 3.36Å; I26-F89 HydrophobicContact CD1-CD2 4.4Å; I26-F89 HydrophobicContact CD1-CE2 4.09Å; I47-F89 HydrophobicContact CD1-CD2 3.36Å; I47-F89 HydrophobicContact CD1-CE2 3.52Å; I47-F89 HydrophobicContact CD1-CG 4.43Å; I47-F89 HydrophobicContact CG1-CD2 4.3Å; I47-F89 HydrophobicContact CG1-CE2 3.96Å; F73-F89 HydrophobicContact CD1-CE1 4.43Å; F73-F89 AromaticContact CE1-CD1 3.78Å; F73-F89 HydrophobicContact CE1-CD1 3.78Å; F73-F89 AromaticContact CE1-CE1 3.74Å; F73-F89 HydrophobicContact CE1-CE1 3.74Å; F73-F89 AromaticContact CZ-CD1 3.97Å; F73-F89 HydrophobicContact CZ-CD1 3.97Å; F73-F89 AromaticContact CZ-CE1 3.96Å; F73-F89 HydrophobicContact CZ-CE1 3.96Å; F85-F89 VanDerWaalsContact O-CB 3.29Å; F85-F89 WeakPolarHBondContact O-CB 3.31Å; F85-F89 PolarHBondContact O-N 3.49Å; N86-F89 PolarHBondContact O-N 3.19Å; L87-F89 PolarHBondContact O-N 2.92Å; F89-E91 VanDerWaalsContact C-N 3.29Å; F89-E91 PolarHBondContact O-N 3.11Å; F89-I92 PolarHBondContact O-N 2.69Å; F89-C93 WeakPolarHBondContact CE1-SG 3.47Å; F89-C93 VanDerWaalsContact CZ-SG 3.54Å; F89-C93 PolarHBondContact O-N 2.92Å; F89-C93 VanDerWaalsContact O-N 3.08Å; F89-C93 PolarHBondContact O-SG 3.47Å |
| 90 | T | 87.2 | Confident | 82.2 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 178.6 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | F73 V74 N86 L87 E88 C93 V94 | F73-T90 HydrophobicContact CE1-CG2 4.07Å; V74-T90 HydrophobicContact CG2-CG2 4.01Å; N86-T90 WeakPolarHBondContact O-CB 3.23Å; N86-T90 VanDerWaalsContact O-CG2 3.27Å; N86-T90 WeakPolarHBondContact O-CG2 3.35Å; N86-T90 PolarHBondContact O-N 3.48Å; N86-T90 PolarHBondContact O-OG1 2.68Å; L87-T90 WeakPolarHBondContact CA-OG1 3.46Å; L87-T90 PolarHBondContact O-N 3.47Å; L87-T90 PolarHBondContact O-OG1 2.65Å; E88-T90 PolarHBondContact O-N 2.94Å; T90-C93 PolarHBondContact O-N 3.4Å; T90-V94 WeakPolarHBondContact O-CG2 3.29Å; T90-V94 PolarHBondContact O-N 3.23Å |
| 91 | E | 85.3 | Confident | 83.6 | Confident | 104 Ų | 104 | 36.7 Ų | 36.7 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -49.8 | 176.9 | -178.3 | 169 | -171.1 | 0 | 0 | 111.3 | L87 E88 F89 C93 V94 N95 | L87-E91 WeakPolarHBondContact O-CB 3.38Å; L87-E91 PolarHBondContact O-N 3.35Å; E88-E91 PolarHBondContact O-N 3.03Å; F89-E91 VanDerWaalsContact C-N 3.29Å; F89-E91 PolarHBondContact O-N 3.11Å; E91-C93 VanDerWaalsContact C-N 3.27Å; E91-C93 PolarHBondContact O-N 2.87Å; E91-V94 PolarHBondContact O-N 3Å; E91-N95 WeakPolarHBondContact CG-ND2 3.34Å; E91-N95 WeakPolarHBondContact O-CB 3.48Å; E91-N95 PolarHBondContact O-N 3.32Å; E91-N95 PolarHBondContact O-ND2 3.39Å |
| 92 | I | 85.4 | Confident | 84.7 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -40.5 | 177.6 | -62 | 158.7 | 0 | 0 | 0 | 111 | Y43 E44 I47 E88 F89 T96 | Y43-I92 HydrophobicContact CD2-CD1 4.19Å; Y43-I92 HydrophobicContact CE2-CD1 3.63Å; E44-I92 HydrophobicContact CB-CD1 3.8Å; E44-I92 HydrophobicContact CB-CG1 4.41Å; E44-I92 HydrophobicContact CG-CD1 4.16Å; E44-I92 HydrophobicContact CG-CG1 4.22Å; E44-I92 HydrophobicContact CG-CG2 4.14Å; I47-I92 HydrophobicContact CB-CG2 3.88Å; I47-I92 HydrophobicContact CD1-CB 4.49Å; I47-I92 HydrophobicContact CD1-CD1 4.08Å; I47-I92 HydrophobicContact CD1-CG2 4.29Å; I47-I92 HydrophobicContact CG2-CB 4.32Å; I47-I92 HydrophobicContact CG2-CG2 3.53Å; E88-I92 WeakPolarHBondContact O-CD1 3.27Å; E88-I92 WeakPolarHBondContact O-CG1 3.44Å; E88-I92 PolarHBondContact O-N 3.04Å; F89-I92 PolarHBondContact O-N 2.69Å; I92-T96 WeakPolarHBondContact O-CB 3.5Å; I92-T96 PolarHBondContact O-N 3.31Å; I92-T96 PolarHBondContact O-OG1 3.07Å |
| 93 | C | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 178.1 | -68.2 | 0 | 0 | 0 | 0 | 112 | F19 L51 Y70 F89 T90 E91 N95 T96 I97 | F19-C93 HydrophobicContact CD1-CB 4.32Å; F19-C93 HydrophobicContact CE1-CB 3.96Å; L51-C93 HydrophobicContact CD1-CB 4.12Å; Y70-C93 HydrophobicContact CD2-CB 4.43Å; Y70-C93 HydrophobicContact CE2-CB 3.98Å; F89-C93 WeakPolarHBondContact CE1-SG 3.47Å; F89-C93 VanDerWaalsContact CZ-SG 3.54Å; F89-C93 PolarHBondContact O-N 2.92Å; F89-C93 VanDerWaalsContact O-N 3.08Å; F89-C93 PolarHBondContact O-SG 3.47Å; T90-C93 PolarHBondContact O-N 3.4Å; E91-C93 VanDerWaalsContact C-N 3.27Å; E91-C93 PolarHBondContact O-N 2.87Å; C93-N95 VanDerWaalsContact C-N 3.34Å; C93-N95 PolarHBondContact O-N 2.71Å; C93-T96 PolarHBondContact O-N 2.8Å; C93-I97 VanDerWaalsContact O-CG1 3.3Å; C93-I97 WeakPolarHBondContact O-CG1 3.38Å; C93-I97 PolarHBondContact O-N 2.89Å |
| 94 | V | 89.9 | Confident | 85.9 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | Y70 T90 E91 T96 I97 L98 L131 R134 | Y70-V94 HydrophobicContact CE1-CG2 4.14Å; Y70-V94 HydrophobicContact CE2-CG2 4.27Å; Y70-V94 WeakPolarHBondContact OH-CG2 3.49Å; T90-V94 WeakPolarHBondContact O-CG2 3.29Å; T90-V94 PolarHBondContact O-N 3.23Å; E91-V94 PolarHBondContact O-N 3Å; V94-T96 VanDerWaalsContact C-N 3.29Å; V94-T96 PolarHBondContact O-N 3.35Å; V94-I97 PolarHBondContact O-N 3.28Å; V94-I97 VanDerWaalsContact O-N 3.14Å; V94-L98 HydrophobicContact CG1-CD1 3.66Å; V94-L98 HydrophobicContact CG1-CG 3.96Å; V94-L98 WeakPolarHBondContact O-CB 3.37Å; V94-L98 WeakPolarHBondContact O-CG 3.48Å; V94-L98 PolarHBondContact O-N 3.07Å; V94-L131 HydrophobicContact CG1-CB 4.35Å; V94-L131 HydrophobicContact CG1-CG 3.97Å; V94-L131 HydrophobicContact CG2-CG 4.15Å; V94-R134 HydrophobicContact CG1-CB 3.81Å; V94-R134 HydrophobicContact CG1-CG 3.81Å |
| 95 | N | 87.1 | Confident | 86.5 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 179.7 | -71.6 | -41.7 | 0 | 0 | 0 | 111.9 | E91 C93 Y99 T135 T137 | E91-N95 WeakPolarHBondContact CG-ND2 3.34Å; E91-N95 WeakPolarHBondContact O-CB 3.48Å; E91-N95 PolarHBondContact O-N 3.32Å; E91-N95 PolarHBondContact O-ND2 3.39Å; C93-N95 VanDerWaalsContact C-N 3.34Å; C93-N95 PolarHBondContact O-N 2.71Å; N95-Y99 VanDerWaalsContact O-CB 3.22Å; N95-Y99 WeakPolarHBondContact O-CB 3.29Å; N95-Y99 PolarHBondContact O-N 3Å; N95-T135 PolarHBondContact OD1-O 2.83Å; N95-T137 WeakPolarHBondContact CB-OG1 3.42Å; N95-T137 PolarHBondContact ND2-OG1 3.39Å; N95-T137 PolarHBondContact OD1-N 2.96Å |
| 96 | T | 89.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 174.6 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | Y48 L51 L55 I92 C93 V94 W100 | Y48-T96 HydrophobicContact CD2-CG2 3.67Å; Y48-T96 HydrophobicContact CE2-CG2 4.04Å; L51-T96 HydrophobicContact CB-CG2 3.69Å; L51-T96 HydrophobicContact CD1-CG2 4.39Å; L55-T96 HydrophobicContact CD1-CG2 4.05Å; I92-T96 WeakPolarHBondContact O-CB 3.5Å; I92-T96 PolarHBondContact O-N 3.31Å; I92-T96 PolarHBondContact O-OG1 3.07Å; C93-T96 PolarHBondContact O-N 2.8Å; V94-T96 VanDerWaalsContact C-N 3.29Å; V94-T96 PolarHBondContact O-N 3.35Å; T96-W100 VanDerWaalsContact O-CD1 3.26Å; T96-W100 PolarHBondContact O-N 3.09Å; T96-W100 VanDerWaalsContact O-N 3.11Å |
| 97 | I | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -53.2 | 178.3 | -68.8 | 164.5 | 0 | 0 | 0 | 110.4 | F19 L55 F63 L66 L67 Y70 C93 V94 Y99 W100 V101 L114 L131 | F19-I97 HydrophobicContact CZ-CD1 4.21Å; L55-I97 HydrophobicContact CD1-CG1 4.3Å; F63-I97 HydrophobicContact CE2-CG2 4.17Å; F63-I97 HydrophobicContact CZ-CG2 4.24Å; L66-I97 HydrophobicContact CD2-CD1 4.03Å; L66-I97 HydrophobicContact CD2-CG1 4.2Å; L67-I97 HydrophobicContact CD2-CG2 4.49Å; Y70-I97 HydrophobicContact CD2-CD1 4.43Å; Y70-I97 HydrophobicContact CG-CD1 4.44Å; C93-I97 VanDerWaalsContact O-CG1 3.3Å; C93-I97 WeakPolarHBondContact O-CG1 3.38Å; C93-I97 PolarHBondContact O-N 2.89Å; V94-I97 PolarHBondContact O-N 3.28Å; V94-I97 VanDerWaalsContact O-N 3.14Å; I97-Y99 PolarHBondContact O-N 3.25Å; I97-W100 PolarHBondContact O-N 2.86Å; I97-V101 HydrophobicContact CG2-CG2 4.21Å; I97-V101 WeakPolarHBondContact O-CB 3.41Å; I97-V101 VanDerWaalsContact O-CG2 3.26Å; I97-V101 WeakPolarHBondContact O-CG2 3.46Å; I97-V101 PolarHBondContact O-N 3.14Å; I97-L114 HydrophobicContact CG2-CD1 4.18Å; I97-L131 HydrophobicContact CG2-CD2 4.31Å |
| 98 | L | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | -178.8 | -69.8 | 178.3 | 0 | 0 | 0 | 111.5 | V94 W100 V101 F102 L114 L131 R134 F136 P150 | V94-L98 HydrophobicContact CG1-CD1 3.66Å; V94-L98 HydrophobicContact CG1-CG 3.96Å; V94-L98 WeakPolarHBondContact O-CB 3.37Å; V94-L98 WeakPolarHBondContact O-CG 3.48Å; V94-L98 PolarHBondContact O-N 3.07Å; L98-W100 VanDerWaalsContact C-N 3.29Å; L98-W100 PolarHBondContact O-N 3.29Å; L98-V101 PolarHBondContact O-N 3.45Å; L98-F102 HydrophobicContact CD2-CD2 4.14Å; L98-F102 HydrophobicContact CD2-CE2 3.88Å; L98-F102 PolarHBondContact O-N 2.9Å; L98-L114 HydrophobicContact CD2-CD1 4.19Å; L98-L131 WeakPolarHBondContact CD1-O 3.31Å; L98-L131 HydrophobicContact CD2-CB 4.35Å; L98-R134 HydrophobicContact CD1-CB 3.91Å; L98-F136 HydrophobicContact CB-CD1 4.2Å; L98-F136 HydrophobicContact CB-CE1 3.8Å; L98-F136 HydrophobicContact CB-CZ 4.48Å; L98-P150 HydrophobicContact CD1-CG 4.16Å; L98-P150 HydrophobicContact CD2-CG 4Å |
| 99 | Y | 88 | Confident | 88.8 | Confident | 60 Ų | 60 | 28 Ų | 28 | 24% | 0.235 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -57.7 | -44 | 178.9 | 178.3 | -102 | 0 | 0 | 0 | 111.6 | N95 I97 A103 R104 L145 | N95-Y99 VanDerWaalsContact O-CB 3.22Å; N95-Y99 WeakPolarHBondContact O-CB 3.29Å; N95-Y99 PolarHBondContact O-N 3Å; I97-Y99 PolarHBondContact O-N 3.25Å; Y99-A103 HydrophobicContact CD2-CB 3.83Å; Y99-A103 HydrophobicContact CE2-CB 3.87Å; Y99-A103 WeakPolarHBondContact O-CA 3.21Å; Y99-A103 VanDerWaalsContact O-CB 3.27Å; Y99-A103 WeakPolarHBondContact O-CB 3.33Å; Y99-A103 PolarHBondContact O-N 3.06Å; Y99-R104 HydrophobicContact CD1-CG 3.89Å; Y99-R104 HydrophobicContact CE1-CG 3.39Å; Y99-R104 PolarHBondContact O-N 3.12Å; Y99-R104 VanDerWaalsContact O-N 3.12Å; Y99-L145 HydrophobicContact CD2-CD1 4.26Å; Y99-L145 HydrophobicContact CE2-CD1 3.97Å |
| 100 | W | 89.5 | Confident | 89.3 | Confident | 14 Ų | 14 | 28.5 Ų | 28.5 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -70.3 | -39.6 | 179.4 | -86.5 | 92.4 | 0 | 0 | 0 | 113.2 | A52 L55 R56 T96 I97 L98 R104 K105 | A52-W100 HydrophobicContact CB-CZ2 3.82Å; A52-W100 VanDerWaalsContact CB-NE1 3.32Å; L55-W100 HydrophobicContact CB-CB 3.89Å; L55-W100 HydrophobicContact CB-CD2 4.04Å; L55-W100 HydrophobicContact CB-CE3 4.46Å; L55-W100 HydrophobicContact CB-CG 3.76Å; L55-W100 HydrophobicContact CD1-CB 3.91Å; L55-W100 HydrophobicContact CD1-CG 3.98Å; L55-W100 HydrophobicContact CG-CB 4.37Å; L55-W100 HydrophobicContact CG-CG 4.49Å; R56-W100 HydrophobicContact CB-CH2 3.77Å; R56-W100 HydrophobicContact CB-CZ2 4.49Å; R56-W100 HydrophobicContact CB-CZ3 3.84Å; R56-W100 HydrophobicContact CG-CH2 4.04Å; R56-W100 HydrophobicContact CG-CZ3 4.14Å; T96-W100 VanDerWaalsContact O-CD1 3.26Å; T96-W100 PolarHBondContact O-N 3.09Å; T96-W100 VanDerWaalsContact O-N 3.11Å; I97-W100 PolarHBondContact O-N 2.86Å; L98-W100 VanDerWaalsContact C-N 3.29Å; L98-W100 PolarHBondContact O-N 3.29Å; W100-R104 HydrophobicContact CD2-CB 4.08Å; W100-R104 HydrophobicContact CD2-CG 4.12Å; W100-R104 HydrophobicContact CE3-CB 3.57Å; W100-R104 HydrophobicContact CE3-CG 4.03Å; W100-R104 HydrophobicContact CZ3-CB 3.91Å; W100-R104 HydrophobicContact CZ3-CG 4.28Å; W100-K105 WeakPolarHBondContact O-CB 3.5Å; W100-K105 PolarHBondContact O-N 3.16Å |
| 101 | V | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -67.9 | -54.1 | -179.8 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | F63 I97 L98 G106 F110 V111 L114 | F63-V101 HydrophobicContact CE1-CG2 4.14Å; F63-V101 HydrophobicContact CE2-CG2 3.93Å; F63-V101 HydrophobicContact CZ-CG2 3.44Å; F63-V101 VanDerWaalsContact CZ-CG2 3.44Å; I97-V101 HydrophobicContact CG2-CG2 4.21Å; I97-V101 WeakPolarHBondContact O-CB 3.41Å; I97-V101 VanDerWaalsContact O-CG2 3.26Å; I97-V101 WeakPolarHBondContact O-CG2 3.46Å; I97-V101 PolarHBondContact O-N 3.14Å; L98-V101 PolarHBondContact O-N 3.45Å; V101-G106 PolarHBondContact O-N 2.81Å; V101-F110 HydrophobicContact CG1-CB 4.24Å; V101-V111 HydrophobicContact CG1-CG2 3.75Å; V101-L114 HydrophobicContact CG1-CD1 4.49Å; V101-L114 HydrophobicContact CG2-CD1 4.38Å |
| 102 | F | 89.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -85.9 | -43.1 | -172.3 | -73.9 | -88.7 | 0 | 0 | 0 | 113.4 | L98 V111 I132 F136 P150 Y153 V154 I162 L166 | L98-F102 HydrophobicContact CD2-CD2 4.14Å; L98-F102 HydrophobicContact CD2-CE2 3.88Å; L98-F102 PolarHBondContact O-N 2.9Å; F102-V111 HydrophobicContact CD1-CG2 4.18Å; F102-V111 HydrophobicContact CE1-CG1 3.85Å; F102-V111 HydrophobicContact CE1-CG2 3.84Å; F102-V111 HydrophobicContact CZ-CB 4.48Å; F102-V111 HydrophobicContact CZ-CG1 3.73Å; F102-V111 HydrophobicContact CZ-CG2 4.03Å; F102-I132 HydrophobicContact CZ-CD1 3.92Å; F102-F136 HydrophobicContact CB-CE1 4.3Å; F102-F136 HydrophobicContact CB-CZ 3.83Å; F102-F136 HydrophobicContact CD2-CZ 4.45Å; F102-F136 HydrophobicContact CG-CZ 4.26Å; F102-P150 HydrophobicContact CD1-CB 4.22Å; F102-P150 HydrophobicContact CD2-CB 4.17Å; F102-P150 HydrophobicContact CD2-CG 4.48Å; F102-P150 HydrophobicContact CE1-CB 3.85Å; F102-P150 HydrophobicContact CE2-CB 3.81Å; F102-P150 HydrophobicContact CE2-CG 4.18Å; F102-P150 HydrophobicContact CG-CB 4.37Å; F102-P150 HydrophobicContact CZ-CB 3.64Å; F102-P150 HydrophobicContact CZ-CG 4.44Å; F102-Y153 HydrophobicContact CB-CD1 4.01Å; F102-Y153 HydrophobicContact CB-CE1 4.13Å; F102-Y153 WeakPolarHBondContact O-CE1 3.42Å; F102-V154 HydrophobicContact CD1-CG2 3.65Å; F102-V154 HydrophobicContact CE1-CG2 3.93Å; F102-I162 HydrophobicContact CD1-CG2 4.24Å; F102-I162 HydrophobicContact CE1-CG2 3.97Å; F102-L166 HydrophobicContact CE1-CD1 4.43Å; F102-L166 HydrophobicContact CE1-CD2 4.22Å; F102-L166 HydrophobicContact CZ-CD2 4.31Å |
| 103 | A | 84.3 | Confident | 90.9 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -97.1 | -28.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y99 Y153 | Y99-A103 HydrophobicContact CD2-CB 3.83Å; Y99-A103 HydrophobicContact CE2-CB 3.87Å; Y99-A103 WeakPolarHBondContact O-CA 3.21Å; Y99-A103 VanDerWaalsContact O-CB 3.27Å; Y99-A103 WeakPolarHBondContact O-CB 3.33Å; Y99-A103 PolarHBondContact O-N 3.06Å; A103-Y153 VanDerWaalsContact CA-OH 3.28Å; A103-Y153 WeakPolarHBondContact CA-OH 3.31Å; A103-Y153 HydrophobicContact CB-CE1 4.07Å; A103-Y153 HydrophobicContact CB-CE2 4.25Å; A103-Y153 VanDerWaalsContact CB-OH 3.29Å; A103-Y153 WeakPolarHBondContact CB-OH 3.42Å |
| 104 | R | 85.1 | Confident | 91.3 | Very high | 127 Ų | 127 | 27.9 Ų | 27.9 | 48% | 0.479 | 14% | 0.136 | S | C | . | . | I | π-helix | trans | -100.2 | -46.9 | -178.8 | -63.9 | -66.8 | -62.7 | 156.5 | 1 | 113.8 | Y99 W100 | Y99-R104 HydrophobicContact CD1-CG 3.89Å; Y99-R104 HydrophobicContact CE1-CG 3.39Å; Y99-R104 PolarHBondContact O-N 3.12Å; Y99-R104 VanDerWaalsContact O-N 3.12Å; W100-R104 HydrophobicContact CD2-CB 4.08Å; W100-R104 HydrophobicContact CD2-CG 4.12Å; W100-R104 HydrophobicContact CE3-CB 3.57Å; W100-R104 HydrophobicContact CE3-CG 4.03Å; W100-R104 HydrophobicContact CZ3-CB 3.91Å; W100-R104 HydrophobicContact CZ3-CG 4.28Å |
| 105 | K | 86.7 | Confident | 91.6 | Very high | 57 Ų | 57 | 27.7 Ų | 27.7 | 25% | 0.248 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -82.9 | -48.4 | 177.9 | -76.5 | -176.6 | 176.2 | -90.6 | 0 | 111.2 | L55 V58 W100 N107 F110 | L55-K105 WeakPolarHBondContact O-CE 3.46Å; V58-K105 PolarHBondContact O-NZ 3.34Å; W100-K105 WeakPolarHBondContact O-CB 3.5Å; W100-K105 PolarHBondContact O-N 3.16Å; K105-N107 PolarHBondContact O-N 3.4Å; K105-N107 VanDerWaalsContact O-N 3.12Å; K105-F110 HydrophobicContact CD-CD1 3.92Å; K105-F110 HydrophobicContact CD-CD2 4.31Å; K105-F110 HydrophobicContact CD-CE1 3.86Å; K105-F110 HydrophobicContact CD-CE2 4.24Å; K105-F110 HydrophobicContact CD-CG 4.16Å; K105-F110 HydrophobicContact CD-CZ 4.03Å |
| 106 | G | 83.6 | Confident | 92 | Very high | 19 Ų | 19 | 33 Ų | 33 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | trans | 57.9 | 25.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V101 I162 | V101-G106 PolarHBondContact O-N 2.81Å; G106-I162 WeakPolarHBondContact O-CD1 3.01Å | ||
| 107 | N | 90.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 36 Ų | 36 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | trans | -94.3 | 123.9 | -177.8 | -179.2 | -39.8 | 0 | 0 | 0 | 109.4 | K105 D109 F110 V111 | K105-N107 PolarHBondContact O-N 3.4Å; K105-N107 VanDerWaalsContact O-N 3.12Å; N107-D109 VanDerWaalsContact C-N 3.31Å; N107-D109 PolarHBondContact O-N 3.47Å; N107-D109 WeakPolarHBondContact OD1-CB 3.22Å; N107-D109 PolarHBondContact OD1-N 3.23Å; N107-D109 PolarHBondContact OD1-OD2 3.18Å; N107-F110 HydrophobicContact CB-CD2 3.84Å; N107-F110 PolarHBondContact O-N 2.8Å; N107-V111 PolarHBondContact O-N 2.79Å | ||
| 108 | P | 94.5 | Very high | 92.4 | Very high | 36 Ų | 36 | 36 Ų | 36 | 23% | 0.234 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52.4 | -40.9 | 177.9 | -26.5 | 34.7 | 0 | 0 | 0 | 114.7 | F110 V111 E112 N161 I162 I165 | P108-F110 VanDerWaalsContact C-N 3.32Å; P108-F110 PolarHBondContact O-N 3.47Å; P108-V111 WeakPolarHBondContact O-CB 3.47Å; P108-V111 PolarHBondContact O-N 2.81Å; P108-E112 PolarHBondContact O-N 2.93Å; P108-N161 HydrophobicContact CG-CB 3.97Å; P108-I162 HydrophobicContact CB-CG1 4.41Å; P108-I162 HydrophobicContact CG-CG1 4.17Å; P108-I165 HydrophobicContact CB-CD1 3.46Å; P108-I165 VanDerWaalsContact CB-CD1 3.46Å; P108-I165 WeakPolarHBondContact O-CD1 3.39Å |
| 109 | D | 96.6 | Very high | 92.4 | Very high | 81 Ų | 81 | 38.8 Ų | 38.8 | 43% | 0.433 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.5 | -37.2 | -175.2 | -54.3 | -30.2 | 0 | 0 | 0 | 111.7 | L60 N107 V111 L113 | L60-D109 HydrophobicContact CD1-CB 3.82Å; L60-D109 HydrophobicContact CD2-CB 3.82Å; L60-D109 HydrophobicContact CG-CB 4.43Å; N107-D109 VanDerWaalsContact C-N 3.31Å; N107-D109 PolarHBondContact O-N 3.47Å; N107-D109 WeakPolarHBondContact OD1-CB 3.22Å; N107-D109 PolarHBondContact OD1-N 3.23Å; N107-D109 PolarHBondContact OD1-OD2 3.18Å; D109-V111 VanDerWaalsContact C-N 3.35Å; D109-L113 WeakPolarHBondContact O-CB 3.39Å; D109-L113 PolarHBondContact O-N 2.79Å |
| 110 | F | 96.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | 175.5 | -79.1 | -100.7 | 0 | 0 | 0 | 111.4 | V58 L60 F63 V101 K105 N107 P108 L114 | V58-F110 HydrophobicContact CG1-CE1 4.13Å; L60-F110 HydrophobicContact CD2-CD1 4.27Å; L60-F110 HydrophobicContact CD2-CD2 3.57Å; L60-F110 HydrophobicContact CD2-CE1 4.32Å; L60-F110 HydrophobicContact CD2-CE2 3.65Å; L60-F110 HydrophobicContact CD2-CG 3.89Å; L60-F110 HydrophobicContact CD2-CZ 4.03Å; L60-F110 HydrophobicContact CG-CD2 4.38Å; L60-F110 HydrophobicContact CG-CE2 3.99Å; L60-F110 HydrophobicContact CG-CZ 4.28Å; F63-F110 HydrophobicContact CB-CD1 4.02Å; F63-F110 HydrophobicContact CB-CE1 3.71Å; F63-F110 HydrophobicContact CD1-CB 4.47Å; F63-F110 AromaticContact CD1-CD1 3.46Å; F63-F110 HydrophobicContact CD1-CD1 3.46Å; F63-F110 VanDerWaalsContact CD1-CD1 3.46Å; F63-F110 HydrophobicContact CD1-CE1 4.08Å; F63-F110 HydrophobicContact CD1-CG 4.32Å; F63-F110 HydrophobicContact CD2-CD1 4.35Å; F63-F110 HydrophobicContact CE1-CB 4.38Å; F63-F110 AromaticContact CE1-CD1 3.99Å; F63-F110 HydrophobicContact CE1-CD1 3.99Å; F63-F110 WeakPolarHBondContact CE1-O 3.47Å; F63-F110 AromaticContact CG-CD1 3.68Å; F63-F110 HydrophobicContact CG-CD1 3.68Å; F63-F110 AromaticContact CG-CE1 3.88Å; F63-F110 HydrophobicContact CG-CE1 3.88Å; V101-F110 HydrophobicContact CG1-CB 4.24Å; K105-F110 HydrophobicContact CD-CD1 3.92Å; K105-F110 HydrophobicContact CD-CD2 4.31Å; K105-F110 HydrophobicContact CD-CE1 3.86Å; K105-F110 HydrophobicContact CD-CE2 4.24Å; K105-F110 HydrophobicContact CD-CG 4.16Å; K105-F110 HydrophobicContact CD-CZ 4.03Å; N107-F110 HydrophobicContact CB-CD2 3.84Å; N107-F110 PolarHBondContact O-N 2.8Å; P108-F110 VanDerWaalsContact C-N 3.32Å; P108-F110 PolarHBondContact O-N 3.47Å; F110-L114 WeakPolarHBondContact O-CB 3.45Å; F110-L114 PolarHBondContact O-N 2.94Å |
| 111 | V | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69 | -45.1 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | V101 F102 N107 P108 D109 L113 L114 L115 I162 I165 L166 | V101-V111 HydrophobicContact CG1-CG2 3.75Å; F102-V111 HydrophobicContact CD1-CG2 4.18Å; F102-V111 HydrophobicContact CE1-CG1 3.85Å; F102-V111 HydrophobicContact CE1-CG2 3.84Å; F102-V111 HydrophobicContact CZ-CB 4.48Å; F102-V111 HydrophobicContact CZ-CG1 3.73Å; F102-V111 HydrophobicContact CZ-CG2 4.03Å; N107-V111 PolarHBondContact O-N 2.79Å; P108-V111 WeakPolarHBondContact O-CB 3.47Å; P108-V111 PolarHBondContact O-N 2.81Å; D109-V111 VanDerWaalsContact C-N 3.35Å; V111-L113 VanDerWaalsContact C-N 3.34Å; V111-L113 PolarHBondContact O-N 2.94Å; V111-L114 PolarHBondContact O-N 3.09Å; V111-L115 HydrophobicContact CG1-CD1 4.18Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.33Å; V111-I162 HydrophobicContact CB-CG2 4.42Å; V111-I162 HydrophobicContact CG1-CG2 4.12Å; V111-I162 HydrophobicContact CG2-CD1 4.15Å; V111-I162 HydrophobicContact CG2-CG1 4.19Å; V111-I162 HydrophobicContact CG2-CG2 3.97Å; V111-I165 HydrophobicContact CG1-CG2 4.33Å; V111-L166 HydrophobicContact CG1-CD2 3.82Å |
| 112 | E | 97.4 | Very high | 92.5 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.2 | -176.3 | 174.4 | -166.2 | 0 | 0 | 111.2 | P108 L114 L115 K116 I165 Y169 | P108-E112 PolarHBondContact O-N 2.93Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 3.03Å; E112-L115 PolarHBondContact O-N 3.04Å; E112-K116 VanDerWaalsContact O-CB 3.31Å; E112-K116 WeakPolarHBondContact O-CB 3.36Å; E112-K116 PolarHBondContact O-N 3.42Å; E112-I165 HydrophobicContact CB-CD1 4.29Å; E112-I165 HydrophobicContact CB-CG2 4.12Å; E112-Y169 HydrophobicContact CG-CE2 4.25Å |
| 113 | L | 97.6 | Very high | 92.3 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.5 | -173.9 | 56.4 | 0 | 0 | 0 | 112.2 | L60 F63 D64 D109 V111 K116 K117 | L60-L113 HydrophobicContact CD2-CD2 4.36Å; L60-L113 WeakPolarHBondContact O-CD2 3.4Å; F63-L113 HydrophobicContact CD1-CD2 4.04Å; F63-L113 HydrophobicContact CD1-CG 4.49Å; D64-L113 HydrophobicContact CB-CD2 4.03Å; D64-L113 WeakPolarHBondContact OD1-CD1 3.34Å; D109-L113 WeakPolarHBondContact O-CB 3.39Å; D109-L113 PolarHBondContact O-N 2.79Å; V111-L113 VanDerWaalsContact C-N 3.34Å; V111-L113 PolarHBondContact O-N 2.94Å; L113-K116 PolarHBondContact O-N 3.34Å; L113-K117 HydrophobicContact CD1-CG 4.44Å; L113-K117 WeakPolarHBondContact O-CG 3.43Å; L113-K117 PolarHBondContact O-N 3.45Å |
| 114 | L | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.2 | -52.2 | 174.2 | -178.7 | 150.2 | 0 | 0 | 0 | 110.7 | F63 L67 I97 L98 V101 F110 V111 E112 K116 K117 T118 L131 | F63-L114 HydrophobicContact CE1-CB 4.27Å; F63-L114 HydrophobicContact CZ-CB 4.49Å; F63-L114 HydrophobicContact CZ-CD1 4.39Å; L67-L114 HydrophobicContact CD1-CB 4.3Å; I97-L114 HydrophobicContact CG2-CD1 4.18Å; L98-L114 HydrophobicContact CD2-CD1 4.19Å; V101-L114 HydrophobicContact CG1-CD1 4.49Å; V101-L114 HydrophobicContact CG2-CD1 4.38Å; F110-L114 WeakPolarHBondContact O-CB 3.45Å; F110-L114 PolarHBondContact O-N 2.94Å; V111-L114 PolarHBondContact O-N 3.09Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 3.03Å; L114-K116 PolarHBondContact O-N 3.03Å; L114-K117 PolarHBondContact O-N 2.94Å; L114-T118 WeakPolarHBondContact O-CG2 3.45Å; L114-T118 PolarHBondContact O-N 3.36Å; L114-T118 PolarHBondContact O-OG1 3.19Å; L114-L131 HydrophobicContact CD1-CD2 4.21Å; L114-L131 HydrophobicContact CD2-CB 4.41Å |
| 115 | L | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | -179.8 | -72.2 | 172.6 | 0 | 0 | 0 | 112.2 | V111 E112 K117 T118 K119 I132 I165 L166 Y169 I171 | V111-L115 HydrophobicContact CG1-CD1 4.18Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.33Å; E112-L115 PolarHBondContact O-N 3.04Å; L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 2.94Å; L115-T118 PolarHBondContact O-N 3.36Å; L115-K119 WeakPolarHBondContact O-CA 3.34Å; L115-K119 WeakPolarHBondContact O-CB 3.35Å; L115-K119 PolarHBondContact O-N 3.37Å; L115-I132 HydrophobicContact CD2-CB 4.08Å; L115-I132 HydrophobicContact CD2-CD1 3.96Å; L115-I132 HydrophobicContact CD2-CG1 3.91Å; L115-I165 HydrophobicContact CD1-CG2 3.85Å; L115-L166 HydrophobicContact CD1-CD2 3.8Å; L115-Y169 HydrophobicContact CB-CD1 3.74Å; L115-Y169 HydrophobicContact CB-CD2 4.12Å; L115-Y169 HydrophobicContact CB-CE1 3.65Å; L115-Y169 HydrophobicContact CB-CE2 4.04Å; L115-Y169 HydrophobicContact CB-CG 3.97Å; L115-Y169 HydrophobicContact CD1-CD1 4.37Å; L115-Y169 HydrophobicContact CD1-CD2 3.62Å; L115-Y169 HydrophobicContact CD1-CE2 4.14Å; L115-Y169 HydrophobicContact CD1-CG 3.74Å; L115-Y169 HydrophobicContact CG-CG 4.37Å; L115-I171 HydrophobicContact CD2-CD1 4.28Å |
| 116 | K | 95.9 | Very high | 92.4 | Very high | 120 Ų | 120 | 51.2 Ų | 51.2 | 52% | 0.522 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.9 | -43.1 | 177 | -176.5 | 179 | 178.3 | -179.7 | 0 | 111.9 | E112 L113 L114 | E112-K116 VanDerWaalsContact O-CB 3.31Å; E112-K116 WeakPolarHBondContact O-CB 3.36Å; E112-K116 PolarHBondContact O-N 3.42Å; L113-K116 PolarHBondContact O-N 3.34Å; L114-K116 PolarHBondContact O-N 3.03Å |
| 117 | K | 95.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 27% | 0.265 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.1 | -31.5 | 179.5 | -75 | -73.2 | -175.7 | 163.3 | 0 | 113.3 | D64 L67 T68 I71 L113 L114 L115 | D64-K117 WeakPolarHBondContact OD1-CE 3.47Å; D64-K117 IonicContact OD1-NZ 2.81Å; D64-K117 PolarHBondContact OD1-NZ 2.87Å; D64-K117 WeakPolarHBondContact OD2-CE 3.5Å; D64-K117 IonicContact OD2-NZ 3.27Å; D64-K117 PolarHBondContact OD2-NZ 3.27Å; L67-K117 HydrophobicContact CB-CB 4.47Å; L67-K117 HydrophobicContact CB-CG 4.34Å; L67-K117 HydrophobicContact CD1-CB 4.16Å; L67-K117 HydrophobicContact CD1-CG 4.1Å; T68-K117 PolarHBondContact OG1-NZ 3.02Å; I71-K117 HydrophobicContact CD1-CB 4.19Å; L113-K117 HydrophobicContact CD1-CG 4.44Å; L113-K117 WeakPolarHBondContact O-CG 3.43Å; L113-K117 PolarHBondContact O-N 3.45Å; L114-K117 PolarHBondContact O-N 2.94Å; L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 2.94Å |
| 118 | T | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -103.2 | 1.4 | -174.1 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | L114 L115 D120 Y121 L129 L131 | L114-T118 WeakPolarHBondContact O-CG2 3.45Å; L114-T118 PolarHBondContact O-N 3.36Å; L114-T118 PolarHBondContact O-OG1 3.19Å; L115-T118 PolarHBondContact O-N 3.36Å; T118-D120 PolarHBondContact O-N 3.18Å; T118-D120 VanDerWaalsContact O-N 3.13Å; T118-Y121 PolarHBondContact O-N 3.31Å; T118-L129 WeakPolarHBondContact CB-O 2.65Å; T118-L131 HydrophobicContact CG2-CD1 3.82Å |
| 119 | K | 92 | Very high | 92 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 26% | 0.261 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -53.9 | -37.7 | -171.4 | 69.7 | 176 | -171.3 | 160 | 0 | 113.1 | L115 Y121 V122 N272 | L115-K119 WeakPolarHBondContact O-CA 3.34Å; L115-K119 WeakPolarHBondContact O-CB 3.35Å; L115-K119 PolarHBondContact O-N 3.37Å; K119-Y121 PolarHBondContact O-N 3.1Å; K119-V122 WeakPolarHBondContact O-CB 3.41Å; K119-V122 PolarHBondContact O-N 3.06Å; K119-N272 PolarHBondContact O-ND2 3.39Å; K119-N272 PolarHBondContact O-OD1 2.77Å |
| 120 | D | 91.4 | Very high | 91.7 | Very high | 104 Ų | 104 | 46 Ų | 46 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -71.2 | -16.2 | -173.5 | -63.1 | -36.3 | 0 | 0 | 0 | 112.4 | T118 N272 | T118-D120 PolarHBondContact O-N 3.18Å; T118-D120 VanDerWaalsContact O-N 3.13Å; D120-N272 WeakPolarHBondContact CA-ND2 3.39Å; D120-N272 PolarHBondContact OD1-ND2 3.47Å; D120-N272 VanDerWaalsContact OD1-ND2 3.15Å |
| 121 | Y | 91.2 | Very high | 91.4 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 21% | 0.208 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -98.6 | -10.1 | 178.4 | -47.6 | -75.4 | 0 | 0 | 0 | 112.9 | E75 T118 K119 Q123 D124 L129 A130 | E75-Y121 PolarHBondContact OE1-OH 2.86Å; T118-Y121 PolarHBondContact O-N 3.31Å; K119-Y121 PolarHBondContact O-N 3.1Å; Y121-Q123 PolarHBondContact O-N 2.69Å; Y121-Q123 VanDerWaalsContact O-N 3.14Å; Y121-D124 PolarHBondContact O-N 2.84Å; Y121-D124 VanDerWaalsContact O-N 3.14Å; Y121-L129 HydrophobicContact CD1-CB 3.73Å; Y121-L129 HydrophobicContact CD1-CD1 3.9Å; Y121-L129 HydrophobicContact CD1-CG 4.44Å; Y121-L129 HydrophobicContact CD2-CB 3.49Å; Y121-L129 VanDerWaalsContact CD2-CB 3.49Å; Y121-L129 HydrophobicContact CD2-CD1 4.28Å; Y121-L129 HydrophobicContact CD2-CG 4.48Å; Y121-L129 HydrophobicContact CE1-CB 4.11Å; Y121-L129 HydrophobicContact CE1-CD1 3.41Å; Y121-L129 VanDerWaalsContact CE1-CD1 3.41Å; Y121-L129 HydrophobicContact CE1-CG 4.38Å; Y121-L129 HydrophobicContact CE2-CB 3.9Å; Y121-L129 HydrophobicContact CE2-CD1 3.85Å; Y121-L129 HydrophobicContact CE2-CG 4.44Å; Y121-L129 HydrophobicContact CG-CB 3.4Å; Y121-L129 HydrophobicContact CG-CD1 4.3Å; Y121-L129 HydrophobicContact CG-CG 4.48Å; Y121-A130 VanDerWaalsContact O-CB 3.25Å; Y121-A130 WeakPolarHBondContact O-CB 3.4Å |
| 122 | V | 87.8 | Confident | 91.2 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.8 | -173 | 176.1 | 0 | 0 | 0 | 0 | 113 | K119 D124 I132 W133 I171 | K119-V122 WeakPolarHBondContact O-CB 3.41Å; K119-V122 PolarHBondContact O-N 3.06Å; V122-D124 VanDerWaalsContact C-N 3.35Å; V122-I132 HydrophobicContact CG1-CG2 4.32Å; V122-I132 HydrophobicContact CG2-CG2 4.12Å; V122-W133 HydrophobicContact CG1-CZ2 3.83Å; V122-W133 PolarHBondContact O-NE1 3.2Å; V122-I171 HydrophobicContact CG1-CD1 3.98Å |
| 123 | Q | 85.7 | Confident | 90.9 | Very high | 97 Ų | 97 | 42.6 Ų | 42.6 | 45% | 0.453 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -37.7 | 177.3 | -65 | -71.7 | -0.1 | 0 | 0 | 112.2 | Y121 L269 | Y121-Q123 PolarHBondContact O-N 2.69Å; Y121-Q123 VanDerWaalsContact O-N 3.14Å; Q123-L269 PolarHBondContact NE2-O 2.9Å; Q123-L269 VanDerWaalsContact NE2-O 3.15Å |
| 124 | D | 87.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 44.8 Ų | 44.8 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | trans | -98.8 | 98.6 | -180 | 178.6 | 10.2 | 0 | 0 | 0 | 110.5 | Y121 V122 S126 C127 A130 | Y121-D124 PolarHBondContact O-N 2.84Å; Y121-D124 VanDerWaalsContact O-N 3.14Å; V122-D124 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 3.31Å; D124-S126 VanDerWaalsContact O-N 3.13Å; D124-S126 WeakPolarHBondContact OD1-CA 3.43Å; D124-S126 WeakPolarHBondContact OD1-CB 3.31Å; D124-S126 PolarHBondContact OD1-N 3.1Å; D124-S126 PolarHBondContact OD1-OG 3.04Å; D124-S126 PolarHBondContact OD2-OG 3.01Å; D124-C127 HydrophobicContact CB-CB 4.01Å; D124-C127 VanDerWaalsContact O-CB 3.26Å; D124-C127 WeakPolarHBondContact O-CB 3.5Å; D124-C127 PolarHBondContact O-N 3.33Å; D124-C127 PolarHBondContact OD1-N 2.87Å; D124-A130 VanDerWaalsContact O-CB 3.27Å; D124-A130 WeakPolarHBondContact O-CB 3.43Å | ||
| 125 | R | 86.9 | Confident | 90 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.6 | 177.5 | -63.2 | -171.7 | 173.9 | -143 | -0.5 | 113.4 | W133 R174 E175 | R125-W133 HydrophobicContact CB-CB 4.39Å; R125-W133 HydrophobicContact CB-CG 4.19Å; R125-W133 HydrophobicContact CG-CB 4.47Å; R125-W133 HydrophobicContact CG-CD2 3.98Å; R125-W133 HydrophobicContact CG-CG 3.82Å; R125-R174 PolarHBondContact NH2-O 2.86Å; R125-E175 IonicContact CZ-OE2 3.78Å; R125-E175 IonicContact NH1-OE2 3.44Å; R125-E175 PolarHBondContact NH1-OE2 3.29Å; R125-E175 IonicContact NH2-OE2 3.09Å; R125-E175 PolarHBondContact NH2-OE2 3.12Å; R125-E175 VanDerWaalsContact NH2-OE2 3.09Å |
| 126 | S | 84.2 | Confident | 89.3 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 62% | 0.615 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -16.3 | 178.6 | 76.8 | 0 | 0 | 0 | 0 | 113.1 | D124 N128 R134 | D124-S126 PolarHBondContact O-N 3.31Å; D124-S126 VanDerWaalsContact O-N 3.13Å; D124-S126 WeakPolarHBondContact OD1-CA 3.43Å; D124-S126 WeakPolarHBondContact OD1-CB 3.31Å; D124-S126 PolarHBondContact OD1-N 3.1Å; D124-S126 PolarHBondContact OD1-OG 3.04Å; D124-S126 PolarHBondContact OD2-OG 3.01Å; S126-N128 PolarHBondContact O-N 3.28Å; S126-R134 PolarHBondContact O-NH2 3.5Å |
| 127 | C | 86.8 | Confident | 88 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -65.2 | 133.5 | 179.5 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | D124 L129 A130 R134 | D124-C127 HydrophobicContact CB-CB 4.01Å; D124-C127 VanDerWaalsContact O-CB 3.26Å; D124-C127 WeakPolarHBondContact O-CB 3.5Å; D124-C127 PolarHBondContact O-N 3.33Å; D124-C127 PolarHBondContact OD1-N 2.87Å; C127-L129 PolarHBondContact O-N 2.94Å; C127-L129 PolarHBondContact SG-N 3.28Å; C127-A130 HydrophobicContact CB-CB 4.14Å; C127-A130 WeakPolarHBondContact O-CB 3.33Å; C127-A130 PolarHBondContact O-N 3.16Å; C127-A130 VanDerWaalsContact O-N 3.09Å; C127-R134 PolarHBondContact O-NH2 3.31Å |
| 128 | N | 82.9 | Confident | 86.2 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.7 | 177.9 | -69.5 | -20.8 | 0 | 0 | 0 | 112.8 | V74 S126 R134 | V74-N128 HydrophobicContact CG1-CB 4.11Å; S126-N128 PolarHBondContact O-N 3.28Å; N128-R134 VanDerWaalsContact CA-NH2 3.32Å; N128-R134 PolarHBondContact OD1-NH2 2.78Å |
| 129 | L | 90.3 | Very high | 84.2 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.2 | 175.8 | -62.9 | 177.2 | 0 | 0 | 0 | 113.4 | Y70 I71 V74 E75 T118 Y121 C127 L131 | Y70-L129 HydrophobicContact CD1-CD2 4.08Å; Y70-L129 HydrophobicContact CE1-CD2 3.73Å; I71-L129 HydrophobicContact CB-CD2 4.41Å; I71-L129 HydrophobicContact CG1-CD2 4.06Å; I71-L129 HydrophobicContact CG2-CD1 4.26Å; V74-L129 HydrophobicContact CB-CD2 3.69Å; V74-L129 HydrophobicContact CB-CG 4.21Å; V74-L129 HydrophobicContact CG1-CD1 4.37Å; V74-L129 HydrophobicContact CG1-CD2 3.89Å; V74-L129 HydrophobicContact CG1-CG 3.9Å; V74-L129 HydrophobicContact CG2-CD2 3.9Å; E75-L129 HydrophobicContact CG-CD1 3.97Å; T118-L129 WeakPolarHBondContact CB-O 2.65Å; Y121-L129 HydrophobicContact CD1-CB 3.73Å; Y121-L129 HydrophobicContact CD1-CD1 3.9Å; Y121-L129 HydrophobicContact CD1-CG 4.44Å; Y121-L129 HydrophobicContact CD2-CB 3.49Å; Y121-L129 VanDerWaalsContact CD2-CB 3.49Å; Y121-L129 HydrophobicContact CD2-CD1 4.28Å; Y121-L129 HydrophobicContact CD2-CG 4.48Å; Y121-L129 HydrophobicContact CE1-CB 4.11Å; Y121-L129 HydrophobicContact CE1-CD1 3.41Å; Y121-L129 VanDerWaalsContact CE1-CD1 3.41Å; Y121-L129 HydrophobicContact CE1-CG 4.38Å; Y121-L129 HydrophobicContact CE2-CB 3.9Å; Y121-L129 HydrophobicContact CE2-CD1 3.85Å; Y121-L129 HydrophobicContact CE2-CG 4.44Å; Y121-L129 HydrophobicContact CG-CB 3.4Å; Y121-L129 HydrophobicContact CG-CD1 4.3Å; Y121-L129 HydrophobicContact CG-CG 4.48Å; C127-L129 PolarHBondContact O-N 2.94Å; C127-L129 PolarHBondContact SG-N 3.28Å; L129-L131 VanDerWaalsContact C-CD1 3.49Å; L129-L131 WeakPolarHBondContact O-CD1 3.38Å; L129-L131 PolarHBondContact O-N 2.97Å |
| 130 | A | 90.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -84.6 | 61 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y121 D124 C127 I132 W133 | Y121-A130 VanDerWaalsContact O-CB 3.25Å; Y121-A130 WeakPolarHBondContact O-CB 3.4Å; D124-A130 VanDerWaalsContact O-CB 3.27Å; D124-A130 WeakPolarHBondContact O-CB 3.43Å; C127-A130 HydrophobicContact CB-CB 4.14Å; C127-A130 WeakPolarHBondContact O-CB 3.33Å; C127-A130 PolarHBondContact O-N 3.16Å; C127-A130 VanDerWaalsContact O-N 3.09Å; A130-I132 PolarHBondContact O-N 3.19Å; A130-I132 VanDerWaalsContact O-N 3.1Å; A130-W133 PolarHBondContact O-N 3.39Å | ||
| 131 | L | 91.8 | Very high | 80 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -52.6 | -38 | -170.9 | -80.1 | 69.5 | 0 | 0 | 0 | 112.6 | L67 Y70 V94 I97 L98 L114 T118 L129 W133 R134 | L67-L131 HydrophobicContact CD2-CD2 4.48Å; Y70-L131 HydrophobicContact CD1-CD1 4.35Å; Y70-L131 HydrophobicContact CE1-CD1 3.81Å; V94-L131 HydrophobicContact CG1-CB 4.35Å; V94-L131 HydrophobicContact CG1-CG 3.97Å; V94-L131 HydrophobicContact CG2-CG 4.15Å; I97-L131 HydrophobicContact CG2-CD2 4.31Å; L98-L131 WeakPolarHBondContact CD1-O 3.31Å; L98-L131 HydrophobicContact CD2-CB 4.35Å; L114-L131 HydrophobicContact CD1-CD2 4.21Å; L114-L131 HydrophobicContact CD2-CB 4.41Å; T118-L131 HydrophobicContact CG2-CD1 3.82Å; L129-L131 VanDerWaalsContact C-CD1 3.49Å; L129-L131 WeakPolarHBondContact O-CD1 3.38Å; L129-L131 PolarHBondContact O-N 2.97Å; L131-W133 PolarHBondContact O-N 2.83Å; L131-W133 VanDerWaalsContact O-N 3.1Å; L131-R134 WeakPolarHBondContact O-CB 3.49Å; L131-R134 PolarHBondContact O-N 3.24Å |
| 132 | I | 92.1 | Very high | 78.1 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -61 | -21.8 | -176.9 | -164.1 | 64.5 | 0 | 0 | 0 | 113.9 | F102 L115 V122 A130 P150 L166 I171 | F102-I132 HydrophobicContact CZ-CD1 3.92Å; L115-I132 HydrophobicContact CD2-CB 4.08Å; L115-I132 HydrophobicContact CD2-CD1 3.96Å; L115-I132 HydrophobicContact CD2-CG1 3.91Å; V122-I132 HydrophobicContact CG1-CG2 4.32Å; V122-I132 HydrophobicContact CG2-CG2 4.12Å; A130-I132 PolarHBondContact O-N 3.19Å; A130-I132 VanDerWaalsContact O-N 3.1Å; I132-P150 HydrophobicContact CD1-CB 3.65Å; I132-P150 HydrophobicContact CD1-CG 4.09Å; I132-P150 WeakPolarHBondContact O-CD 3.17Å; I132-L166 HydrophobicContact CD1-CD2 3.81Å; I132-I171 HydrophobicContact CG1-CD1 4.04Å; I132-I171 HydrophobicContact CG1-CG1 4.22Å; I132-I171 HydrophobicContact CG1-CG2 4.18Å; I132-I171 HydrophobicContact CG2-CD1 4.07Å |
| 133 | W | 91.4 | Very high | 76.5 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -91 | -10.2 | 178.1 | -59.2 | 124.9 | 0 | 0 | 0 | 113.8 | V122 R125 A130 L131 I171 R174 | V122-W133 HydrophobicContact CG1-CZ2 3.83Å; V122-W133 PolarHBondContact O-NE1 3.2Å; R125-W133 HydrophobicContact CB-CB 4.39Å; R125-W133 HydrophobicContact CB-CG 4.19Å; R125-W133 HydrophobicContact CG-CB 4.47Å; R125-W133 HydrophobicContact CG-CD2 3.98Å; R125-W133 HydrophobicContact CG-CG 3.82Å; A130-W133 PolarHBondContact O-N 3.39Å; L131-W133 PolarHBondContact O-N 2.83Å; L131-W133 VanDerWaalsContact O-N 3.1Å; W133-I171 HydrophobicContact CH2-CG2 3.76Å; W133-I171 HydrophobicContact CZ2-CD1 4.42Å; W133-I171 HydrophobicContact CZ3-CG2 3.98Å; W133-R174 HydrophobicContact CH2-CB 3.67Å; W133-R174 HydrophobicContact CZ2-CB 3.9Å; W133-R174 HydrophobicContact CZ2-CG 4.46Å |
| 134 | R | 89.8 | Confident | 75.2 | Confident | 73 Ų | 73 | 53 Ų | 53 | 28% | 0.275 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -75 | 139.2 | 179.3 | -58.6 | -61.7 | 174.5 | 161.1 | -8.2 | 109.7 | V94 L98 S126 C127 N128 L131 P150 | V94-R134 HydrophobicContact CG1-CB 3.81Å; V94-R134 HydrophobicContact CG1-CG 3.81Å; L98-R134 HydrophobicContact CD1-CB 3.91Å; S126-R134 PolarHBondContact O-NH2 3.5Å; C127-R134 PolarHBondContact O-NH2 3.31Å; N128-R134 VanDerWaalsContact CA-NH2 3.32Å; N128-R134 PolarHBondContact OD1-NH2 2.78Å; L131-R134 WeakPolarHBondContact O-CB 3.49Å; L131-R134 PolarHBondContact O-N 3.24Å; R134-P150 WeakPolarHBondContact O-CD 3.35Å |
| 135 | T | 86.2 | Confident | 74.1 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 146.2 | 175.8 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | N95 T137 G147 I148 T149 | N95-T135 PolarHBondContact OD1-O 2.83Å; T135-T137 PolarHBondContact O-N 3.25Å; T135-G147 VanDerWaalsContact CG2-C 3.48Å; T135-G147 VanDerWaalsContact CG2-O 3.3Å; T135-G147 WeakPolarHBondContact CG2-O 3.2Å; T135-I148 CarbonylContact C-O 3.58Å; T135-I148 WeakPolarHBondContact CA-O 3.23Å; T135-T149 HydrophobicContact CG2-CG2 4.1Å |
| 136 | F | 80.8 | Confident | 73.3 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -59.5 | 127.4 | 166.8 | -61.4 | -83.6 | 0 | 0 | 0 | 108.3 | L98 F102 L145 S146 G147 I148 P150 Y153 | L98-F136 HydrophobicContact CB-CD1 4.2Å; L98-F136 HydrophobicContact CB-CE1 3.8Å; L98-F136 HydrophobicContact CB-CZ 4.48Å; F102-F136 HydrophobicContact CB-CE1 4.3Å; F102-F136 HydrophobicContact CB-CZ 3.83Å; F102-F136 HydrophobicContact CD2-CZ 4.45Å; F102-F136 HydrophobicContact CG-CZ 4.26Å; F136-L145 HydrophobicContact CB-CB 4.29Å; F136-L145 WeakPolarHBondContact CB-O 3.29Å; F136-S146 CarbonylContact O-C 3.53Å; F136-S146 WeakPolarHBondContact O-CA 3.4Å; F136-G147 PolarHBondContact O-N 3.15Å; F136-I148 HydrophobicContact CD2-CB 4.41Å; F136-I148 WeakPolarHBondContact CD2-O 3.32Å; F136-I148 PolarHBondContact N-O 3.08Å; F136-P150 HydrophobicContact CE2-CG 4.48Å; F136-P150 HydrophobicContact CZ-CG 4.46Å; F136-Y153 VanDerWaalsContact CE2-CB 3.45Å; F136-Y153 HydrophobicContact CE2-CD1 4.38Å; F136-Y153 HydrophobicContact CE2-CD2 4.34Å; F136-Y153 AromaticContact CE2-CG 3.8Å; F136-Y153 HydrophobicContact CE2-CG 3.8Å; F136-Y153 HydrophobicContact CZ-CD1 4.26Å; F136-Y153 HydrophobicContact CZ-CG 4.11Å |
| 137 | T | 69.1 | Low | 73 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | trans | -105.2 | 142.2 | 164.1 | 65.4 | 0 | 0 | 0 | 0 | 109.5 | N95 T135 V139 | N95-T137 WeakPolarHBondContact CB-OG1 3.42Å; N95-T137 PolarHBondContact ND2-OG1 3.39Å; N95-T137 PolarHBondContact OD1-N 2.96Å; T135-T137 PolarHBondContact O-N 3.25Å; T137-V139 PolarHBondContact O-N 3.42Å | ||
| 138 | P | 57 | Low | 73 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | trans | -62.2 | 124.9 | 173.9 | 16.9 | -24.7 | 0 | 0 | 0 | 110.4 | Y140 S146 | P138-Y140 VanDerWaalsContact CB-O 3.23Å; P138-Y140 WeakPolarHBondContact CB-O 3.46Å; P138-S146 VanDerWaalsContact CD-OG 3.23Å; P138-S146 WeakPolarHBondContact CD-OG 3.42Å | ||
| 139 | V | 53.8 | Low | 73.4 | Confident | 27 Ų | 27 | 45 Ų | 45 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -72.5 | -20.6 | 158.6 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | Y48 T137 | Y48-V139 HydrophobicContact CD1-CG1 3.76Å; Y48-V139 HydrophobicContact CD2-CB 4.14Å; Y48-V139 HydrophobicContact CD2-CG1 3.68Å; Y48-V139 HydrophobicContact CD2-CG2 3.58Å; Y48-V139 HydrophobicContact CE1-CG1 4.16Å; Y48-V139 HydrophobicContact CE2-CB 4.24Å; Y48-V139 HydrophobicContact CE2-CG1 4.1Å; Y48-V139 HydrophobicContact CE2-CG2 3.78Å; Y48-V139 HydrophobicContact CG-CB 4.42Å; Y48-V139 HydrophobicContact CG-CG1 3.48Å; Y48-V139 VanDerWaalsContact CG-CG1 3.48Å; Y48-V139 HydrophobicContact CG-CG2 4.25Å; T137-V139 PolarHBondContact O-N 3.42Å |
| 140 | Y | 50.7 | Low | 73.6 | Confident | 138 Ų | 138 | 44.7 Ų | 44.7 | 54% | 0.541 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -135.5 | 122.9 | 176.5 | -57.4 | -73.5 | 0 | 0 | 0 | 109.6 | Y48 P138 P142 S143 | Y48-Y140 HydrophobicContact CD1-CE2 4.39Å; Y48-Y140 AromaticContact CE1-CE2 3.86Å; Y48-Y140 HydrophobicContact CE1-CE2 3.86Å; P138-Y140 VanDerWaalsContact CB-O 3.23Å; P138-Y140 WeakPolarHBondContact CB-O 3.46Å; Y140-P142 CarbonylContact O-C 3.49Å; Y140-S143 PolarHBondContact O-N 3.22Å |
| 141 | C | 44.3 | Very low | 73.8 | Confident | 122 Ų | 122 | 44.7 Ų | 44.7 | 82% | 0.824 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -88.6 | 135.1 | 176.4 | -157.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 142 | P | 50.4 | Low | 73.9 | Confident | 126 Ų | 126 | 46.8 Ų | 46.8 | 82% | 0.818 | 28% | 0.281 | S | S | * | . | S | Bend | cis | -87 | 134.4 | -4.3 | 32.6 | -30.3 | 0 | 0 | 0 | 112.3 | Y140 | Y140-P142 CarbonylContact O-C 3.49Š|
| 143 | S | 55.6 | Low | 73.9 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | trans | -111.1 | 133.4 | 165.8 | -173.3 | 0 | 0 | 0 | 0 | 110 | Y140 L145 S146 | Y140-S143 PolarHBondContact O-N 3.22Å; S143-L145 PolarHBondContact O-N 3.45Å; S143-L145 VanDerWaalsContact O-N 3.09Å; S143-L145 PolarHBondContact OG-N 3.01Å; S143-S146 PolarHBondContact O-N 3.36Å | ||
| 144 | P | 57.9 | Low | 73.9 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -6.5 | 174.2 | 29.5 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 145 | L | 64.1 | Low | 74.1 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6.3 | -176.2 | -56.3 | -179.5 | 0 | 0 | 0 | 113.9 | Y99 F136 S143 G147 I148 Y153 I194 | Y99-L145 HydrophobicContact CD2-CD1 4.26Å; Y99-L145 HydrophobicContact CE2-CD1 3.97Å; F136-L145 HydrophobicContact CB-CB 4.29Å; F136-L145 WeakPolarHBondContact CB-O 3.29Å; S143-L145 PolarHBondContact O-N 3.45Å; S143-L145 VanDerWaalsContact O-N 3.09Å; S143-L145 PolarHBondContact OG-N 3.01Å; L145-G147 PolarHBondContact O-N 2.82Å; L145-I148 WeakPolarHBondContact O-CB 3.46Å; L145-I148 WeakPolarHBondContact O-CG1 3.3Å; L145-I148 PolarHBondContact O-N 3.41Å; L145-Y153 HydrophobicContact CD1-CE2 4.22Å; L145-Y153 HydrophobicContact CD2-CD2 3.81Å; L145-Y153 HydrophobicContact CD2-CE2 3.67Å; L145-I194 HydrophobicContact CD1-CD1 4.42Å |
| 146 | S | 69.9 | Low | 74.3 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 49% | 0.49 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 130.5 | -175.1 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | F136 P138 S143 I148 | F136-S146 CarbonylContact O-C 3.53Å; F136-S146 WeakPolarHBondContact O-CA 3.4Å; P138-S146 VanDerWaalsContact CD-OG 3.23Å; P138-S146 WeakPolarHBondContact CD-OG 3.42Å; S143-S146 PolarHBondContact O-N 3.36Å; S146-I148 VanDerWaalsContact C-N 3.34Å; S146-I148 PolarHBondContact O-N 3.01Å |
| 147 | G | 78.2 | Confident | 74.7 | Confident | 50 Ų | 50 | 40.7 Ų | 40.7 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 8.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | T135 F136 L145 | T135-G147 VanDerWaalsContact CG2-C 3.48Å; T135-G147 VanDerWaalsContact CG2-O 3.3Å; T135-G147 WeakPolarHBondContact CG2-O 3.2Å; F136-G147 PolarHBondContact O-N 3.15Å; L145-G147 PolarHBondContact O-N 2.82Å |
| 148 | I | 86.1 | Confident | 75.8 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 8% | 0.077 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -98.9 | 134.2 | -177 | -56.8 | 176.8 | 0 | 0 | 0 | 109.1 | T135 F136 L145 S146 L152 | T135-I148 CarbonylContact C-O 3.58Å; T135-I148 WeakPolarHBondContact CA-O 3.23Å; F136-I148 HydrophobicContact CD2-CB 4.41Å; F136-I148 WeakPolarHBondContact CD2-O 3.32Å; F136-I148 PolarHBondContact N-O 3.08Å; L145-I148 WeakPolarHBondContact O-CB 3.46Å; L145-I148 WeakPolarHBondContact O-CG1 3.3Å; L145-I148 PolarHBondContact O-N 3.41Å; S146-I148 VanDerWaalsContact C-N 3.34Å; S146-I148 PolarHBondContact O-N 3.01Å; I148-L152 HydrophobicContact CG2-CB 3.71Å; I148-L152 HydrophobicContact CG2-CD2 3.89Å; I148-L152 HydrophobicContact CG2-CG 3.79Å |
| 149 | T | 91.8 | Very high | 77.4 | Confident | 29 Ų | 29 | 38.1 Ų | 38.1 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | trans | -77.6 | 158.4 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | T135 L151 L152 Y153 | T135-T149 HydrophobicContact CG2-CG2 4.1Å; T149-L151 VanDerWaalsContact C-N 3.27Å; T149-L151 PolarHBondContact O-N 3.25Å; T149-L152 PolarHBondContact O-N 2.87Å; T149-L152 WeakPolarHBondContact OG1-CB 2.91Å; T149-L152 PolarHBondContact OG1-N 3.04Å; T149-Y153 PolarHBondContact O-N 3.41Å | ||
| 150 | P | 93.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49.4 | -43.3 | 172.1 | -32.7 | 35 | 0 | 0 | 0 | 114.3 | L98 F102 I132 R134 F136 Y153 V154 | L98-P150 HydrophobicContact CD1-CG 4.16Å; L98-P150 HydrophobicContact CD2-CG 4Å; F102-P150 HydrophobicContact CD1-CB 4.22Å; F102-P150 HydrophobicContact CD2-CB 4.17Å; F102-P150 HydrophobicContact CD2-CG 4.48Å; F102-P150 HydrophobicContact CE1-CB 3.85Å; F102-P150 HydrophobicContact CE2-CB 3.81Å; F102-P150 HydrophobicContact CE2-CG 4.18Å; F102-P150 HydrophobicContact CG-CB 4.37Å; F102-P150 HydrophobicContact CZ-CB 3.64Å; F102-P150 HydrophobicContact CZ-CG 4.44Å; I132-P150 HydrophobicContact CD1-CB 3.65Å; I132-P150 HydrophobicContact CD1-CG 4.09Å; I132-P150 WeakPolarHBondContact O-CD 3.17Å; R134-P150 WeakPolarHBondContact O-CD 3.35Å; F136-P150 HydrophobicContact CE2-CG 4.48Å; F136-P150 HydrophobicContact CZ-CG 4.46Å; P150-Y153 PolarHBondContact O-N 2.95Å; P150-V154 WeakPolarHBondContact O-CB 3.48Å; P150-V154 VanDerWaalsContact O-CG2 3.26Å; P150-V154 WeakPolarHBondContact O-CG2 3.19Å; P150-V154 PolarHBondContact O-N 2.83Å |
| 151 | L | 95.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 176.6 | 178.2 | 60.6 | 0 | 0 | 0 | 111.8 | T149 V154 A155 L163 L166 I171 L172 E175 I181 | T149-L151 VanDerWaalsContact C-N 3.27Å; T149-L151 PolarHBondContact O-N 3.25Å; L151-V154 PolarHBondContact O-N 3.46Å; L151-A155 WeakPolarHBondContact O-CB 3.27Å; L151-A155 PolarHBondContact O-N 3.09Å; L151-L163 HydrophobicContact CD1-CD1 3.69Å; L151-L166 HydrophobicContact CB-CD1 4.12Å; L151-L166 HydrophobicContact CD1-CB 4.27Å; L151-L166 HydrophobicContact CD1-CD1 3.77Å; L151-I171 HydrophobicContact CB-CG2 4.24Å; L151-I171 HydrophobicContact CD2-CG2 4Å; L151-L172 HydrophobicContact CD2-CB 4.41Å; L151-L172 HydrophobicContact CD2-CD1 4.27Å; L151-E175 HydrophobicContact CD2-CG 3.65Å; L151-I181 HydrophobicContact CD1-CG2 4.46Å; L151-I181 HydrophobicContact CD2-CD1 4.02Å; L151-I181 HydrophobicContact CD2-CG1 3.95Å; L151-I181 HydrophobicContact CG-CD1 3.87Å; L151-I181 HydrophobicContact CG-CG1 4.17Å |
| 152 | L | 93.3 | Very high | 83.7 | Confident | 44 Ų | 44 | 30.5 Ų | 30.5 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -38.2 | 179.2 | -172.5 | 64 | 0 | 0 | 0 | 111.5 | I148 T149 A155 Q156 I181 T184 | I148-L152 HydrophobicContact CG2-CB 3.71Å; I148-L152 HydrophobicContact CG2-CD2 3.89Å; I148-L152 HydrophobicContact CG2-CG 3.79Å; T149-L152 PolarHBondContact O-N 2.87Å; T149-L152 WeakPolarHBondContact OG1-CB 2.91Å; T149-L152 PolarHBondContact OG1-N 3.04Å; L152-A155 WeakPolarHBondContact O-CB 3.29Å; L152-A155 PolarHBondContact O-N 3.33Å; L152-Q156 VanDerWaalsContact O-CG 3.26Å; L152-Q156 WeakPolarHBondContact O-CG 3.39Å; L152-Q156 PolarHBondContact O-N 3.03Å; L152-I181 HydrophobicContact CB-CD1 4.45Å; L152-I181 HydrophobicContact CD1-CD1 3.98Å; L152-T184 HydrophobicContact CD1-CG2 3.84Å; L152-T184 VanDerWaalsContact CD1-OG1 3.29Å; L152-T184 WeakPolarHBondContact CD1-OG1 3.47Å |
| 153 | Y | 91.4 | Very high | 86 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 174.6 | 175.6 | -97 | 0 | 0 | 0 | 112.3 | F102 A103 F136 L145 T149 P150 A155 Q156 T157 | F102-Y153 HydrophobicContact CB-CD1 4.01Å; F102-Y153 HydrophobicContact CB-CE1 4.13Å; F102-Y153 WeakPolarHBondContact O-CE1 3.42Å; A103-Y153 VanDerWaalsContact CA-OH 3.28Å; A103-Y153 WeakPolarHBondContact CA-OH 3.31Å; A103-Y153 HydrophobicContact CB-CE1 4.07Å; A103-Y153 HydrophobicContact CB-CE2 4.25Å; A103-Y153 VanDerWaalsContact CB-OH 3.29Å; A103-Y153 WeakPolarHBondContact CB-OH 3.42Å; F136-Y153 VanDerWaalsContact CE2-CB 3.45Å; F136-Y153 HydrophobicContact CE2-CD1 4.38Å; F136-Y153 HydrophobicContact CE2-CD2 4.34Å; F136-Y153 AromaticContact CE2-CG 3.8Å; F136-Y153 HydrophobicContact CE2-CG 3.8Å; F136-Y153 HydrophobicContact CZ-CD1 4.26Å; F136-Y153 HydrophobicContact CZ-CG 4.11Å; L145-Y153 HydrophobicContact CD1-CE2 4.22Å; L145-Y153 HydrophobicContact CD2-CD2 3.81Å; L145-Y153 HydrophobicContact CD2-CE2 3.67Å; T149-Y153 PolarHBondContact O-N 3.41Å; P150-Y153 PolarHBondContact O-N 2.95Å; Y153-A155 VanDerWaalsContact C-N 3.26Å; Y153-A155 PolarHBondContact O-N 2.87Å; Y153-Q156 WeakPolarHBondContact O-CB 3.26Å; Y153-Q156 PolarHBondContact O-N 3.48Å; Y153-T157 HydrophobicContact CD2-CG2 4.34Å; Y153-T157 HydrophobicContact CE1-CG2 4.08Å; Y153-T157 HydrophobicContact CE2-CG2 3.83Å; Y153-T157 WeakPolarHBondContact O-CB 3.28Å; Y153-T157 PolarHBondContact O-N 3.46Å; Y153-T157 PolarHBondContact O-OG1 2.99Å |
| 154 | V | 93 | Very high | 88 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 176.1 | 166.3 | 0 | 0 | 0 | 0 | 111 | F102 P150 L151 T157 R158 Q159 I162 L163 L166 | F102-V154 HydrophobicContact CD1-CG2 3.65Å; F102-V154 HydrophobicContact CE1-CG2 3.93Å; P150-V154 WeakPolarHBondContact O-CB 3.48Å; P150-V154 VanDerWaalsContact O-CG2 3.26Å; P150-V154 WeakPolarHBondContact O-CG2 3.19Å; P150-V154 PolarHBondContact O-N 2.83Å; L151-V154 PolarHBondContact O-N 3.46Å; V154-T157 CarbonylContact O-C 3.48Å; V154-T157 PolarHBondContact O-OG1 3.27Å; V154-R158 VanDerWaalsContact O-CA 3.31Å; V154-R158 WeakPolarHBondContact O-CA 3.39Å; V154-R158 PolarHBondContact O-N 3.44Å; V154-Q159 HydrophobicContact CG1-CB 4.28Å; V154-Q159 PolarHBondContact O-N 3.47Å; V154-I162 HydrophobicContact CB-CG2 4.48Å; V154-I162 HydrophobicContact CG1-CB 4.4Å; V154-I162 HydrophobicContact CG1-CG2 4.1Å; V154-I162 HydrophobicContact CG2-CB 4.41Å; V154-I162 HydrophobicContact CG2-CG2 3.52Å; V154-L163 HydrophobicContact CG1-CB 3.67Å; V154-L163 HydrophobicContact CG1-CD1 4.16Å; V154-L163 HydrophobicContact CG1-CG 4.49Å; V154-L166 HydrophobicContact CB-CD1 4.14Å; V154-L166 HydrophobicContact CG1-CD1 4.31Å; V154-L166 HydrophobicContact CG2-CD1 4.04Å |
| 155 | A | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.5 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L151 L152 Y153 T157 R158 I181 T184 I185 | L151-A155 WeakPolarHBondContact O-CB 3.27Å; L151-A155 PolarHBondContact O-N 3.09Å; L152-A155 WeakPolarHBondContact O-CB 3.29Å; L152-A155 PolarHBondContact O-N 3.33Å; Y153-A155 VanDerWaalsContact C-N 3.26Å; Y153-A155 PolarHBondContact O-N 2.87Å; A155-T157 VanDerWaalsContact C-N 3.31Å; A155-T157 PolarHBondContact O-N 2.99Å; A155-R158 WeakPolarHBondContact O-CG 3.26Å; A155-R158 PolarHBondContact O-N 3.36Å; A155-I181 HydrophobicContact CB-CG2 3.87Å; A155-T184 HydrophobicContact CB-CG2 3.87Å; A155-I185 HydrophobicContact CB-CG1 3.94Å |
| 156 | Q | 90.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 21.1 Ų | 21.1 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 176.7 | -73.6 | 176.1 | -11.8 | 0 | 0 | 112.3 | L152 Y153 R158 T184 Y188 | L152-Q156 VanDerWaalsContact O-CG 3.26Å; L152-Q156 WeakPolarHBondContact O-CG 3.39Å; L152-Q156 PolarHBondContact O-N 3.03Å; Y153-Q156 WeakPolarHBondContact O-CB 3.26Å; Y153-Q156 PolarHBondContact O-N 3.48Å; Q156-R158 PolarHBondContact O-NH1 3.32Å; Q156-R158 VanDerWaalsContact O-NH1 3.09Å; Q156-T184 HydrophobicContact CB-CG2 4.24Å; Q156-T184 HydrophobicContact CG-CG2 3.4Å; Q156-T184 VanDerWaalsContact CG-CG2 3.4Å; Q156-Y188 HydrophobicContact CB-CD1 3.62Å; Q156-Y188 HydrophobicContact CB-CE1 3.69Å; Q156-Y188 HydrophobicContact CB-CG 4.16Å; Q156-Y188 HydrophobicContact CG-CD1 3.64Å; Q156-Y188 HydrophobicContact CG-CD2 3.84Å; Q156-Y188 HydrophobicContact CG-CE1 3.67Å; Q156-Y188 HydrophobicContact CG-CE2 3.89Å; Q156-Y188 HydrophobicContact CG-CG 3.72Å; Q156-Y188 VanDerWaalsContact NE2-CE2 3.33Å |
| 157 | T | 88.1 | Confident | 92.8 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -92.9 | -2.9 | -179.1 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | Y153 V154 A155 Q159 R193 | Y153-T157 HydrophobicContact CD2-CG2 4.34Å; Y153-T157 HydrophobicContact CE1-CG2 4.08Å; Y153-T157 HydrophobicContact CE2-CG2 3.83Å; Y153-T157 WeakPolarHBondContact O-CB 3.28Å; Y153-T157 PolarHBondContact O-N 3.46Å; Y153-T157 PolarHBondContact O-OG1 2.99Å; V154-T157 CarbonylContact O-C 3.48Å; V154-T157 PolarHBondContact O-OG1 3.27Å; A155-T157 VanDerWaalsContact C-N 3.31Å; A155-T157 PolarHBondContact O-N 2.99Å; T157-Q159 VanDerWaalsContact C-N 3.25Å; T157-Q159 PolarHBondContact O-N 3.09Å; T157-Q159 PolarHBondContact OG1-NE2 3.47Å; T157-R193 HydrophobicContact CG2-CG 4.42Å; T157-R193 PolarHBondContact O-NE 3.43Å; T157-R193 PolarHBondContact O-NH2 2.9Å |
| 158 | R | 91.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 41.5 | 176.5 | -57.3 | 165.3 | -174.2 | 78.3 | 26.5 | 113.3 | V154 A155 Q156 S160 T184 I185 Y188 R193 D206 I237 | V154-R158 VanDerWaalsContact O-CA 3.31Å; V154-R158 WeakPolarHBondContact O-CA 3.39Å; V154-R158 PolarHBondContact O-N 3.44Å; A155-R158 WeakPolarHBondContact O-CG 3.26Å; A155-R158 PolarHBondContact O-N 3.36Å; Q156-R158 PolarHBondContact O-NH1 3.32Å; Q156-R158 VanDerWaalsContact O-NH1 3.09Å; R158-S160 VanDerWaalsContact C-N 3.32Å; R158-S160 PolarHBondContact O-N 2.98Å; R158-T184 PolarHBondContact NH2-O 2.74Å; R158-I185 PolarHBondContact NE-O 3.27Å; R158-I185 PolarHBondContact NH2-O 3.26Å; R158-Y188 PolarHBondContact NH2-O 3.28Å; R158-R193 PolarHBondContact O-NH2 3.49Å; R158-R193 VanDerWaalsContact O-NH2 3.16Å; R158-D206 HydrophobicContact CB-CB 3.94Å; R158-D206 WeakPolarHBondContact O-CB 3.47Å; R158-I237 VanDerWaalsContact NE-CD1 3.31Å |
| 159 | Q | 90.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 16 Ų | 16 | 9% | 0.089 | 8% | 0.082 | C | C | . | . | trans | -78.4 | 84.7 | 178.1 | -65.2 | 172.7 | 4.5 | 0 | 0 | 108.9 | V154 T157 N161 I162 L163 | V154-Q159 HydrophobicContact CG1-CB 4.28Å; V154-Q159 PolarHBondContact O-N 3.47Å; T157-Q159 VanDerWaalsContact C-N 3.25Å; T157-Q159 PolarHBondContact O-N 3.09Å; T157-Q159 PolarHBondContact OG1-NE2 3.47Å; Q159-N161 VanDerWaalsContact C-N 3.32Å; Q159-N161 PolarHBondContact O-N 2.93Å; Q159-I162 HydrophobicContact CB-CB 4.15Å; Q159-I162 HydrophobicContact CB-CD1 4.45Å; Q159-I162 PolarHBondContact O-N 3.28Å; Q159-I162 VanDerWaalsContact O-N 3.16Å; Q159-L163 WeakPolarHBondContact O-CB 3.42Å; Q159-L163 PolarHBondContact O-N 2.9Å | ||
| 160 | S | 93 | Very high | 94.4 | Very high | 12 Ų | 12 | 14.6 Ų | 14.6 | 8% | 0.084 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -55.3 | -42.3 | -172.6 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | R158 L163 K164 L213 | R158-S160 VanDerWaalsContact C-N 3.32Å; R158-S160 PolarHBondContact O-N 2.98Å; S160-L163 PolarHBondContact O-N 3.16Å; S160-K164 WeakPolarHBondContact O-CB 3.09Å; S160-K164 PolarHBondContact O-N 2.98Å; S160-L213 WeakPolarHBondContact O-CD1 3.38Å |
| 161 | N | 93.5 | Very high | 94.6 | Very high | 112 Ų | 112 | 14.6 Ų | 14.6 | 60% | 0.599 | 7% | 0.074 | S | C | * | . | H | α-helix | trans | -62.6 | -44.4 | 177.9 | -65.7 | -24.9 | 0 | 0 | 0 | 112.6 | P108 Q159 I165 | P108-N161 HydrophobicContact CG-CB 3.97Å; Q159-N161 VanDerWaalsContact C-N 3.32Å; Q159-N161 PolarHBondContact O-N 2.93Å; N161-I165 PolarHBondContact O-N 2.83Å |
| 162 | I | 95.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -72 | -39.9 | 177 | -71.7 | 169.7 | 0 | 0 | 0 | 110.4 | F102 G106 P108 V111 V154 Q159 K164 I165 L166 | F102-I162 HydrophobicContact CD1-CG2 4.24Å; F102-I162 HydrophobicContact CE1-CG2 3.97Å; G106-I162 WeakPolarHBondContact O-CD1 3.01Å; P108-I162 HydrophobicContact CB-CG1 4.41Å; P108-I162 HydrophobicContact CG-CG1 4.17Å; V111-I162 HydrophobicContact CB-CG2 4.42Å; V111-I162 HydrophobicContact CG1-CG2 4.12Å; V111-I162 HydrophobicContact CG2-CD1 4.15Å; V111-I162 HydrophobicContact CG2-CG1 4.19Å; V111-I162 HydrophobicContact CG2-CG2 3.97Å; V154-I162 HydrophobicContact CB-CG2 4.48Å; V154-I162 HydrophobicContact CG1-CB 4.4Å; V154-I162 HydrophobicContact CG1-CG2 4.1Å; V154-I162 HydrophobicContact CG2-CB 4.41Å; V154-I162 HydrophobicContact CG2-CG2 3.52Å; Q159-I162 HydrophobicContact CB-CB 4.15Å; Q159-I162 HydrophobicContact CB-CD1 4.45Å; Q159-I162 PolarHBondContact O-N 3.28Å; Q159-I162 VanDerWaalsContact O-N 3.16Å; I162-K164 VanDerWaalsContact C-N 3.31Å; I162-K164 PolarHBondContact O-N 3.02Å; I162-I165 WeakPolarHBondContact O-CB 3.5Å; I162-I165 PolarHBondContact O-N 3.12Å; I162-I165 VanDerWaalsContact O-N 3.14Å; I162-L166 HydrophobicContact CG2-CG 4.39Å; I162-L166 WeakPolarHBondContact O-CG 3.45Å; I162-L166 PolarHBondContact O-N 3.27Å |
| 163 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.6 | -47.7 | 176.5 | -177.7 | 62 | 0 | 0 | 0 | 110.3 | L151 V154 Q159 S160 I165 L166 L167 I185 C210 | L151-L163 HydrophobicContact CD1-CD1 3.69Å; V154-L163 HydrophobicContact CG1-CB 3.67Å; V154-L163 HydrophobicContact CG1-CD1 4.16Å; V154-L163 HydrophobicContact CG1-CG 4.49Å; Q159-L163 WeakPolarHBondContact O-CB 3.42Å; Q159-L163 PolarHBondContact O-N 2.9Å; S160-L163 PolarHBondContact O-N 3.16Å; L163-I165 VanDerWaalsContact C-N 3.28Å; L163-I165 PolarHBondContact O-N 2.95Å; L163-L166 WeakPolarHBondContact O-CB 3.44Å; L163-L166 PolarHBondContact O-N 3.4Å; L163-L167 HydrophobicContact CD1-CD2 4.26Å; L163-L167 HydrophobicContact CD1-CG 4.25Å; L163-L167 HydrophobicContact CG-CD1 4.29Å; L163-L167 HydrophobicContact CG-CG 4.23Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.37Å; L163-L167 PolarHBondContact O-N 3.36Å; L163-I185 HydrophobicContact CD2-CD1 4.1Å; L163-C210 HydrophobicContact CD2-CB 3.54Å |
| 164 | K | 97.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 16.8 Ų | 16.8 | 21% | 0.209 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -52.7 | -45.5 | 176.7 | -179.7 | 179.9 | 166.6 | -172 | 0 | 111.8 | S160 I162 L167 Q168 L213 L293 E294 | S160-K164 WeakPolarHBondContact O-CB 3.09Å; S160-K164 PolarHBondContact O-N 2.98Å; I162-K164 VanDerWaalsContact C-N 3.31Å; I162-K164 PolarHBondContact O-N 3.02Å; K164-L167 CarbonylContact O-C 3.53Å; K164-L167 PolarHBondContact O-N 2.87Å; K164-Q168 HydrophobicContact CG-CG 4.49Å; K164-Q168 VanDerWaalsContact O-CG 3.29Å; K164-Q168 WeakPolarHBondContact O-CG 3.41Å; K164-Q168 PolarHBondContact O-N 2.96Å; K164-L213 HydrophobicContact CB-CD1 3.96Å; K164-L213 HydrophobicContact CB-CD2 4.15Å; K164-L213 HydrophobicContact CG-CD2 4.15Å; K164-L293 VanDerWaalsContact CE-O 3.3Å; K164-L293 WeakPolarHBondContact CE-O 3.39Å; K164-E294 VanDerWaalsContact CE-OE1 3.23Å; K164-E294 WeakPolarHBondContact CE-OE1 3.36Å; K164-E294 IonicContact NZ-OE1 2.93Å; K164-E294 PolarHBondContact NZ-OE1 2.86Å; K164-E294 VanDerWaalsContact NZ-OE1 3.16Å; K164-E294 IonicContact NZ-OE2 2.72Å; K164-E294 PolarHBondContact NZ-OE2 2.93Å |
| 165 | I | 97.7 | Very high | 94.7 | Very high | 13 Ų | 13 | 18.4 Ų | 18.4 | 7% | 0.067 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 176.3 | -65.7 | 170.1 | 0 | 0 | 0 | 110.9 | P108 V111 E112 L115 N161 I162 L163 L167 Q168 Y169 | P108-I165 HydrophobicContact CB-CD1 3.46Å; P108-I165 VanDerWaalsContact CB-CD1 3.46Å; P108-I165 WeakPolarHBondContact O-CD1 3.39Å; V111-I165 HydrophobicContact CG1-CG2 4.33Å; E112-I165 HydrophobicContact CB-CD1 4.29Å; E112-I165 HydrophobicContact CB-CG2 4.12Å; L115-I165 HydrophobicContact CD1-CG2 3.85Å; N161-I165 PolarHBondContact O-N 2.83Å; I162-I165 WeakPolarHBondContact O-CB 3.5Å; I162-I165 PolarHBondContact O-N 3.12Å; I162-I165 VanDerWaalsContact O-N 3.14Å; L163-I165 VanDerWaalsContact C-N 3.28Å; L163-I165 PolarHBondContact O-N 2.95Å; I165-L167 PolarHBondContact O-N 3.33Å; I165-Q168 WeakPolarHBondContact O-CB 3.28Å; I165-Q168 PolarHBondContact O-N 2.98Å; I165-Q168 VanDerWaalsContact O-N 3.09Å; I165-Y169 HydrophobicContact CG2-CD2 4.11Å; I165-Y169 HydrophobicContact CG2-CE2 4.16Å; I165-Y169 WeakPolarHBondContact O-CD2 3.45Å; I165-Y169 PolarHBondContact O-N 3.2Å; I165-Y169 VanDerWaalsContact O-N 3.09Å |
| 166 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.7 | -40.1 | 177.1 | -60.5 | -170.5 | 0 | 0 | 0 | 111.5 | F102 V111 L115 I132 L151 V154 I162 L163 G170 I171 | F102-L166 HydrophobicContact CE1-CD1 4.43Å; F102-L166 HydrophobicContact CE1-CD2 4.22Å; F102-L166 HydrophobicContact CZ-CD2 4.31Å; V111-L166 HydrophobicContact CG1-CD2 3.82Å; L115-L166 HydrophobicContact CD1-CD2 3.8Å; I132-L166 HydrophobicContact CD1-CD2 3.81Å; L151-L166 HydrophobicContact CB-CD1 4.12Å; L151-L166 HydrophobicContact CD1-CB 4.27Å; L151-L166 HydrophobicContact CD1-CD1 3.77Å; V154-L166 HydrophobicContact CB-CD1 4.14Å; V154-L166 HydrophobicContact CG1-CD1 4.31Å; V154-L166 HydrophobicContact CG2-CD1 4.04Å; I162-L166 HydrophobicContact CG2-CG 4.39Å; I162-L166 WeakPolarHBondContact O-CG 3.45Å; I162-L166 PolarHBondContact O-N 3.27Å; L163-L166 WeakPolarHBondContact O-CB 3.44Å; L163-L166 PolarHBondContact O-N 3.4Å; L166-G170 PolarHBondContact O-N 3.39Å; L166-I171 HydrophobicContact CB-CB 4.34Å; L166-I171 HydrophobicContact CB-CG1 4.37Å; L166-I171 WeakPolarHBondContact O-CB 3.26Å; L166-I171 VanDerWaalsContact O-CG1 3.23Å; L166-I171 WeakPolarHBondContact O-CG1 3.4Å; L166-I171 PolarHBondContact O-N 2.95Å |
| 167 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 175.7 | -61.5 | -168.8 | 0 | 0 | 0 | 111.9 | L163 K164 I165 Y169 G170 L172 L213 V217 R265 L293 | L163-L167 HydrophobicContact CD1-CD2 4.26Å; L163-L167 HydrophobicContact CD1-CG 4.25Å; L163-L167 HydrophobicContact CG-CD1 4.29Å; L163-L167 HydrophobicContact CG-CG 4.23Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.37Å; L163-L167 PolarHBondContact O-N 3.36Å; K164-L167 CarbonylContact O-C 3.53Å; K164-L167 PolarHBondContact O-N 2.87Å; I165-L167 PolarHBondContact O-N 3.33Å; L167-Y169 VanDerWaalsContact C-N 3.27Å; L167-Y169 PolarHBondContact O-N 3.23Å; L167-G170 WeakPolarHBondContact O-CA 3.29Å; L167-G170 PolarHBondContact O-N 3.07Å; L167-L172 HydrophobicContact CD2-CB 3.21Å; L167-L172 HydrophobicContact CD2-CD2 3.57Å; L167-L172 HydrophobicContact CD2-CG 4Å; L167-L213 HydrophobicContact CD1-CB 3.77Å; L167-L213 WeakPolarHBondContact CD1-O 3.2Å; L167-V217 HydrophobicContact CB-CG2 4.13Å; L167-V217 HydrophobicContact CD1-CG2 3.94Å; L167-V217 HydrophobicContact CG-CG2 4.43Å; L167-R265 PolarHBondContact O-NH2 3.02Å; L167-L293 HydrophobicContact CB-CD1 3.5Å; L167-L293 HydrophobicContact CD1-CD1 4.44Å |
| 168 | Q | 97.4 | Very high | 95 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.9 | -39.1 | 176.3 | -78.6 | 171.5 | -26.6 | 0 | 0 | 112.2 | K164 I165 G170 P275 N292 L293 E294 | K164-Q168 HydrophobicContact CG-CG 4.49Å; K164-Q168 VanDerWaalsContact O-CG 3.29Å; K164-Q168 WeakPolarHBondContact O-CG 3.41Å; K164-Q168 PolarHBondContact O-N 2.96Å; I165-Q168 WeakPolarHBondContact O-CB 3.28Å; I165-Q168 PolarHBondContact O-N 2.98Å; I165-Q168 VanDerWaalsContact O-N 3.09Å; Q168-G170 PolarHBondContact O-N 3.05Å; Q168-P275 HydrophobicContact CB-CB 4.28Å; Q168-N292 VanDerWaalsContact CG-O 3.25Å; Q168-N292 WeakPolarHBondContact CG-O 3.45Å; Q168-N292 PolarHBondContact NE2-ND2 2.99Å; Q168-N292 VanDerWaalsContact NE2-ND2 3.13Å; Q168-N292 PolarHBondContact NE2-O 3.05Å; Q168-L293 HydrophobicContact CG-CD1 4.42Å; Q168-E294 PolarHBondContact NE2-OE1 2.99Å |
| 169 | Y | 97 | Very high | 95.2 | Very high | 13 Ų | 13 | 32 Ų | 32 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 0.7 | 173.4 | -80.2 | -98.2 | 0 | 0 | 0 | 114.2 | E112 L115 I165 L167 P275 | E112-Y169 HydrophobicContact CG-CE2 4.25Å; L115-Y169 HydrophobicContact CB-CD1 3.74Å; L115-Y169 HydrophobicContact CB-CD2 4.12Å; L115-Y169 HydrophobicContact CB-CE1 3.65Å; L115-Y169 HydrophobicContact CB-CE2 4.04Å; L115-Y169 HydrophobicContact CB-CG 3.97Å; L115-Y169 HydrophobicContact CD1-CD1 4.37Å; L115-Y169 HydrophobicContact CD1-CD2 3.62Å; L115-Y169 HydrophobicContact CD1-CE2 4.14Å; L115-Y169 HydrophobicContact CD1-CG 3.74Å; L115-Y169 HydrophobicContact CG-CG 4.37Å; I165-Y169 HydrophobicContact CG2-CD2 4.11Å; I165-Y169 HydrophobicContact CG2-CE2 4.16Å; I165-Y169 WeakPolarHBondContact O-CD2 3.45Å; I165-Y169 PolarHBondContact O-N 3.2Å; I165-Y169 VanDerWaalsContact O-N 3.09Å; L167-Y169 VanDerWaalsContact C-N 3.27Å; L167-Y169 PolarHBondContact O-N 3.23Å; Y169-P275 HydrophobicContact CD2-CG 4.18Å; Y169-P275 HydrophobicContact CE2-CG 3.89Å |
| 170 | G | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 22.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L166 L167 Q168 L172 E173 R174 | L166-G170 PolarHBondContact O-N 3.39Å; L167-G170 WeakPolarHBondContact O-CA 3.29Å; L167-G170 PolarHBondContact O-N 3.07Å; Q168-G170 PolarHBondContact O-N 3.05Å; G170-L172 PolarHBondContact O-N 3.15Å; G170-E173 WeakPolarHBondContact CA-OE2 3.45Å; G170-E173 PolarHBondContact O-N 3.22Å; G170-R174 VanDerWaalsContact O-CG 3.3Å; G170-R174 WeakPolarHBondContact O-CG 3.41Å; G170-R174 PolarHBondContact O-N 3.22Å |
| 171 | I | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -37.2 | -174.7 | -56.5 | -58.3 | 0 | 0 | 0 | 111.2 | L115 V122 I132 W133 L151 L166 R174 E175 | L115-I171 HydrophobicContact CD2-CD1 4.28Å; V122-I171 HydrophobicContact CG1-CD1 3.98Å; I132-I171 HydrophobicContact CG1-CD1 4.04Å; I132-I171 HydrophobicContact CG1-CG1 4.22Å; I132-I171 HydrophobicContact CG1-CG2 4.18Å; I132-I171 HydrophobicContact CG2-CD1 4.07Å; W133-I171 HydrophobicContact CH2-CG2 3.76Å; W133-I171 HydrophobicContact CZ2-CD1 4.42Å; W133-I171 HydrophobicContact CZ3-CG2 3.98Å; L151-I171 HydrophobicContact CB-CG2 4.24Å; L151-I171 HydrophobicContact CD2-CG2 4Å; L166-I171 HydrophobicContact CB-CB 4.34Å; L166-I171 HydrophobicContact CB-CG1 4.37Å; L166-I171 WeakPolarHBondContact O-CB 3.26Å; L166-I171 VanDerWaalsContact O-CG1 3.23Å; L166-I171 WeakPolarHBondContact O-CG1 3.4Å; L166-I171 PolarHBondContact O-N 2.95Å; I171-R174 PolarHBondContact O-N 3.25Å; I171-E175 PolarHBondContact O-N 2.9Å |
| 172 | L | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -40.8 | 177.4 | -179.9 | 65.6 | 0 | 0 | 0 | 112.3 | L151 L167 G170 R174 E175 P178 I181 C214 V217 L218 | L151-L172 HydrophobicContact CD2-CB 4.41Å; L151-L172 HydrophobicContact CD2-CD1 4.27Å; L167-L172 HydrophobicContact CD2-CB 3.21Å; L167-L172 HydrophobicContact CD2-CD2 3.57Å; L167-L172 HydrophobicContact CD2-CG 4Å; G170-L172 PolarHBondContact O-N 3.15Å; L172-R174 PolarHBondContact O-N 2.94Å; L172-E175 WeakPolarHBondContact O-CB 3.39Å; L172-E175 PolarHBondContact O-N 2.68Å; L172-P178 HydrophobicContact CD1-CB 3.57Å; L172-P178 HydrophobicContact CG-CB 4.07Å; L172-I181 HydrophobicContact CD1-CB 3.85Å; L172-I181 HydrophobicContact CD1-CG1 3.67Å; L172-I181 HydrophobicContact CD1-CG2 4.17Å; L172-C214 HydrophobicContact CD2-CB 4.39Å; L172-V217 HydrophobicContact CD2-CB 4.3Å; L172-V217 HydrophobicContact CD2-CG1 4.13Å; L172-L218 HydrophobicContact CD2-CD1 4.4Å; L172-L218 HydrophobicContact CD2-CD2 3.98Å; L172-L218 HydrophobicContact CD2-CG 4.09Å; L172-L218 HydrophobicContact CG-CD2 4.15Å |
| 173 | E | 94.8 | Very high | 95.7 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 24% | 0.238 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.3 | 175.7 | -66.6 | 97.9 | 131.8 | 0 | 0 | 112.7 | G170 E175 V217 R265 L269 | G170-E173 WeakPolarHBondContact CA-OE2 3.45Å; G170-E173 PolarHBondContact O-N 3.22Å; E173-E175 VanDerWaalsContact C-N 3.33Å; E173-V217 HydrophobicContact CG-CG1 3.49Å; E173-V217 VanDerWaalsContact CG-CG1 3.49Å; E173-V217 WeakPolarHBondContact OE1-CG1 3.34Å; E173-V217 WeakPolarHBondContact OE2-CG1 3.37Å; E173-R265 IonicContact OE1-CZ 3.16Å; E173-R265 VanDerWaalsContact OE1-CZ 3.27Å; E173-R265 IonicContact OE1-NE 3.33Å; E173-R265 PolarHBondContact OE1-NE 2.67Å; E173-R265 IonicContact OE1-NH2 2.75Å; E173-R265 PolarHBondContact OE1-NH2 3.35Å; E173-R265 IonicContact OE2-NH2 2.92Å; E173-L269 HydrophobicContact CB-CD2 3.61Å |
| 174 | R | 92.9 | Very high | 95.6 | Very high | 43 Ų | 43 | 30.6 Ų | 30.6 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.1 | 175.7 | -69.4 | 174.8 | -177.9 | -76.1 | 1.7 | 113 | R125 W133 G170 I171 L172 L269 | R125-R174 PolarHBondContact NH2-O 2.86Å; W133-R174 HydrophobicContact CH2-CB 3.67Å; W133-R174 HydrophobicContact CZ2-CB 3.9Å; W133-R174 HydrophobicContact CZ2-CG 4.46Å; G170-R174 VanDerWaalsContact O-CG 3.3Å; G170-R174 WeakPolarHBondContact O-CG 3.41Å; G170-R174 PolarHBondContact O-N 3.22Å; I171-R174 PolarHBondContact O-N 3.25Å; L172-R174 PolarHBondContact O-N 2.94Å; R174-L269 HydrophobicContact CG-CD1 4.21Å; R174-L269 HydrophobicContact CG-CD2 4.05Å; R174-L269 HydrophobicContact CG-CG 4.41Å; R174-L269 VanDerWaalsContact NE-CD1 3.28Å; R174-L269 PolarHBondContact NH2-O 3.36Å |
| 175 | E | 92.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 16% | 0.159 | 14% | 0.137 | C | C | . | . | trans | -71.6 | 139.8 | -178.4 | -73.7 | -63.3 | -175.4 | 0 | 0 | 112.7 | R125 L151 I171 L172 E173 N177 P178 | R125-E175 IonicContact CZ-OE2 3.78Å; R125-E175 IonicContact NH1-OE2 3.44Å; R125-E175 PolarHBondContact NH1-OE2 3.29Å; R125-E175 IonicContact NH2-OE2 3.09Å; R125-E175 PolarHBondContact NH2-OE2 3.12Å; R125-E175 VanDerWaalsContact NH2-OE2 3.09Å; L151-E175 HydrophobicContact CD2-CG 3.65Å; I171-E175 PolarHBondContact O-N 2.9Å; L172-E175 WeakPolarHBondContact O-CB 3.39Å; L172-E175 PolarHBondContact O-N 2.68Å; E173-E175 VanDerWaalsContact C-N 3.33Å; E175-N177 VanDerWaalsContact C-N 3.29Å; E175-N177 PolarHBondContact O-N 3.31Å; E175-P178 HydrophobicContact CB-CB 4.46Å | ||
| 176 | K | 90.5 | Very high | 95.3 | Very high | 191 Ų | 191 | 27.7 Ų | 27.7 | 83% | 0.83 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -65.7 | -36.2 | 176.9 | -68 | -174 | 179 | -177.4 | 0 | 111.9 | ||
| 177 | N | 92.5 | Very high | 95.1 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 39% | 0.39 | 14% | 0.137 | S | C | . | . | trans | -134.5 | 78.1 | 179.1 | -163.4 | 24.5 | 0 | 0 | 0 | 111 | E175 I179 N180 | E175-N177 VanDerWaalsContact C-N 3.29Å; E175-N177 PolarHBondContact O-N 3.31Å; N177-I179 PolarHBondContact O-N 3.46Å; N177-I179 WeakPolarHBondContact OD1-CG2 3.42Å; N177-N180 VanDerWaalsContact ND2-CG 3.33Å; N177-N180 PolarHBondContact ND2-ND2 2.93Å; N177-N180 PolarHBondContact ND2-OD1 3.37Å; N177-N180 VanDerWaalsContact ND2-OD1 3.15Å; N177-N180 WeakPolarHBondContact O-CB 3.49Å; N177-N180 PolarHBondContact O-N 3.4Å; N177-N180 VanDerWaalsContact O-N 3.15Å | ||
| 178 | P | 95.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 31 Ų | 31 | 22% | 0.221 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.2 | -173.9 | 24.9 | -33.4 | 0 | 0 | 0 | 113.5 | L172 E175 N180 I181 L218 | L172-P178 HydrophobicContact CD1-CB 3.57Å; L172-P178 HydrophobicContact CG-CB 4.07Å; E175-P178 HydrophobicContact CB-CB 4.46Å; P178-N180 PolarHBondContact O-N 2.7Å; P178-I181 WeakPolarHBondContact O-CB 3.41Å; P178-I181 PolarHBondContact O-N 3.18Å; P178-L218 HydrophobicContact CB-CD2 3.6Å; P178-L218 HydrophobicContact CG-CD2 3.85Å |
| 179 | I | 95 | Very high | 94 | Very high | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.062 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -29.3 | 174.9 | -166.4 | 63.3 | 0 | 0 | 0 | 112.1 | N177 I181 V182 L183 I221 E225 | N177-I179 PolarHBondContact O-N 3.46Å; N177-I179 WeakPolarHBondContact OD1-CG2 3.42Å; I179-I181 PolarHBondContact O-N 2.69Å; I179-V182 HydrophobicContact CD1-CB 4.17Å; I179-V182 HydrophobicContact CD1-CG1 4.39Å; I179-V182 WeakPolarHBondContact O-CB 3.46Å; I179-V182 PolarHBondContact O-N 3.24Å; I179-L183 HydrophobicContact CG1-CD1 4.48Å; I179-L183 HydrophobicContact CG1-CG 4.35Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 3.38Å; I179-I221 HydrophobicContact CD1-CG2 3.61Å; I179-E225 WeakPolarHBondContact CG2-OE2 3.43Å |
| 180 | N | 94.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 35.1 Ų | 35.1 | 40% | 0.401 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.6 | -32 | 176.3 | -77 | -17.1 | 0 | 0 | 0 | 112 | N177 P178 T184 | N177-N180 VanDerWaalsContact ND2-CG 3.33Å; N177-N180 PolarHBondContact ND2-ND2 2.93Å; N177-N180 PolarHBondContact ND2-OD1 3.37Å; N177-N180 VanDerWaalsContact ND2-OD1 3.15Å; N177-N180 WeakPolarHBondContact O-CB 3.49Å; N177-N180 PolarHBondContact O-N 3.4Å; N177-N180 VanDerWaalsContact O-N 3.15Å; P178-N180 PolarHBondContact O-N 2.7Å; N180-T184 VanDerWaalsContact O-CB 3.28Å; N180-T184 WeakPolarHBondContact O-CB 3.32Å; N180-T184 PolarHBondContact O-N 3.02Å; N180-T184 PolarHBondContact O-OG1 2.95Å |
| 181 | I | 96.9 | Very high | 91 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70 | -43.6 | 176.7 | -56.5 | -52.2 | 0 | 0 | 0 | 110.1 | L151 L152 A155 L172 P178 I179 T184 I185 | L151-I181 HydrophobicContact CD1-CG2 4.46Å; L151-I181 HydrophobicContact CD2-CD1 4.02Å; L151-I181 HydrophobicContact CD2-CG1 3.95Å; L151-I181 HydrophobicContact CG-CD1 3.87Å; L151-I181 HydrophobicContact CG-CG1 4.17Å; L152-I181 HydrophobicContact CB-CD1 4.45Å; L152-I181 HydrophobicContact CD1-CD1 3.98Å; A155-I181 HydrophobicContact CB-CG2 3.87Å; L172-I181 HydrophobicContact CD1-CB 3.85Å; L172-I181 HydrophobicContact CD1-CG1 3.67Å; L172-I181 HydrophobicContact CD1-CG2 4.17Å; P178-I181 WeakPolarHBondContact O-CB 3.41Å; P178-I181 PolarHBondContact O-N 3.18Å; I179-I181 PolarHBondContact O-N 2.69Å; I181-T184 PolarHBondContact O-N 2.81Å; I181-I185 HydrophobicContact CG2-CD1 4.11Å; I181-I185 WeakPolarHBondContact O-CG1 3.45Å; I181-I185 PolarHBondContact O-N 3.13Å |
| 182 | V | 96.9 | Very high | 89 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | I179 T184 I185 L186 L211 C214 L218 I221 I226 | I179-V182 HydrophobicContact CD1-CB 4.17Å; I179-V182 HydrophobicContact CD1-CG1 4.39Å; I179-V182 WeakPolarHBondContact O-CB 3.46Å; I179-V182 PolarHBondContact O-N 3.24Å; V182-T184 VanDerWaalsContact C-N 3.27Å; V182-T184 PolarHBondContact O-N 2.78Å; V182-I185 PolarHBondContact O-N 3.02Å; V182-L186 HydrophobicContact CG1-CD1 4.02Å; V182-L186 WeakPolarHBondContact O-CG 3.29Å; V182-L186 PolarHBondContact O-N 2.9Å; V182-L211 HydrophobicContact CG1-CD1 3.73Å; V182-C214 HydrophobicContact CG2-CB 4.02Å; V182-L218 HydrophobicContact CG2-CD1 3.81Å; V182-I221 HydrophobicContact CG1-CG2 4.15Å; V182-I221 HydrophobicContact CG2-CD1 4.41Å; V182-I226 HydrophobicContact CG1-CD1 4.34Å |
| 183 | L | 95.8 | Very high | 87 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 176 | -68.5 | 174.1 | 0 | 0 | 0 | 111.7 | I179 L186 L187 E225 I226 Q229 | I179-L183 HydrophobicContact CG1-CD1 4.48Å; I179-L183 HydrophobicContact CG1-CG 4.35Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 3.38Å; L183-L186 PolarHBondContact O-N 2.99Å; L183-L187 HydrophobicContact CD2-CD1 3.99Å; L183-L187 VanDerWaalsContact O-CB 3.22Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 WeakPolarHBondContact O-CG 3.39Å; L183-L187 PolarHBondContact O-N 2.85Å; L183-E225 HydrophobicContact CD1-CG 4.21Å; L183-I226 HydrophobicContact CD2-CB 4.27Å; L183-I226 HydrophobicContact CD2-CG1 3.75Å; L183-Q229 HydrophobicContact CD1-CG 4.36Å; L183-Q229 HydrophobicContact CD2-CG 4.06Å |
| 184 | T | 94.7 | Very high | 85 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | L152 A155 Q156 R158 N180 I181 V182 L186 Y188 | L152-T184 HydrophobicContact CD1-CG2 3.84Å; L152-T184 VanDerWaalsContact CD1-OG1 3.29Å; L152-T184 WeakPolarHBondContact CD1-OG1 3.47Å; A155-T184 HydrophobicContact CB-CG2 3.87Å; Q156-T184 HydrophobicContact CB-CG2 4.24Å; Q156-T184 HydrophobicContact CG-CG2 3.4Å; Q156-T184 VanDerWaalsContact CG-CG2 3.4Å; R158-T184 PolarHBondContact NH2-O 2.74Å; N180-T184 VanDerWaalsContact O-CB 3.28Å; N180-T184 WeakPolarHBondContact O-CB 3.32Å; N180-T184 PolarHBondContact O-N 3.02Å; N180-T184 PolarHBondContact O-OG1 2.95Å; I181-T184 PolarHBondContact O-N 2.81Å; V182-T184 VanDerWaalsContact C-N 3.27Å; V182-T184 PolarHBondContact O-N 2.78Å; T184-L186 VanDerWaalsContact C-N 3.27Å; T184-L186 PolarHBondContact O-N 3.23Å; T184-Y188 HydrophobicContact CG2-CD2 4.48Å; T184-Y188 HydrophobicContact CG2-CG 4.31Å; T184-Y188 WeakPolarHBondContact O-CB 3.38Å; T184-Y188 PolarHBondContact O-N 3.15Å |
| 185 | I | 95.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 176 | -70 | 159 | 0 | 0 | 0 | 110.3 | A155 R158 L163 I181 V182 A207 C210 | A155-I185 HydrophobicContact CB-CG1 3.94Å; R158-I185 PolarHBondContact NE-O 3.27Å; R158-I185 PolarHBondContact NH2-O 3.26Å; L163-I185 HydrophobicContact CD2-CD1 4.1Å; I181-I185 HydrophobicContact CG2-CD1 4.11Å; I181-I185 WeakPolarHBondContact O-CG1 3.45Å; I181-I185 PolarHBondContact O-N 3.13Å; V182-I185 PolarHBondContact O-N 3.02Å; I185-A207 HydrophobicContact CG2-CB 4.32Å; I185-C210 HydrophobicContact CD1-CB 3.83Å; I185-C210 HydrophobicContact CG1-CB 4.11Å; I185-C210 HydrophobicContact CG2-CB 3.82Å |
| 186 | L | 94.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.7 | -40.1 | -174.8 | -74.4 | 175.7 | 0 | 0 | 0 | 114.5 | V182 L183 T184 L211 I226 P236 I237 I238 W241 | V182-L186 HydrophobicContact CG1-CD1 4.02Å; V182-L186 WeakPolarHBondContact O-CG 3.29Å; V182-L186 PolarHBondContact O-N 2.9Å; L183-L186 PolarHBondContact O-N 2.99Å; T184-L186 VanDerWaalsContact C-N 3.27Å; T184-L186 PolarHBondContact O-N 3.23Å; L186-L211 HydrophobicContact CD2-CD2 4.08Å; L186-I226 HydrophobicContact CD1-CD1 4.03Å; L186-I226 HydrophobicContact CD1-CG2 4.26Å; L186-P236 WeakPolarHBondContact O-CA 3.33Å; L186-I237 PolarHBondContact O-N 3.23Å; L186-I238 HydrophobicContact CD2-CD1 4.16Å; L186-W241 HydrophobicContact CD1-CE3 4.23Å; L186-W241 HydrophobicContact CD2-CB 3.69Å; L186-W241 HydrophobicContact CD2-CG 4.47Å |
| 187 | L | 92.8 | Very high | 78.6 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -117 | -12.5 | -162.5 | -51.6 | 178.6 | 0 | 0 | 0 | 114.1 | L183 Q229 L230 R234 P236 | L183-L187 HydrophobicContact CD2-CD1 3.99Å; L183-L187 VanDerWaalsContact O-CB 3.22Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 WeakPolarHBondContact O-CG 3.39Å; L183-L187 PolarHBondContact O-N 2.85Å; L187-Q229 HydrophobicContact CD1-CB 3.46Å; L187-Q229 VanDerWaalsContact CD1-CB 3.46Å; L187-Q229 HydrophobicContact CD1-CG 4.07Å; L187-L230 HydrophobicContact CD2-CD2 3.71Å; L187-R234 HydrophobicContact CD1-CB 4.32Å; L187-R234 HydrophobicContact CD2-CB 4.4Å; L187-P236 HydrophobicContact CD2-CB 4.11Å |
| 188 | Y | 89.1 | Confident | 76.7 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -73.5 | 129.9 | -177.5 | -167.2 | -96.4 | 0 | 0 | 0 | 111.2 | Q156 R158 T184 V192 I237 | Q156-Y188 HydrophobicContact CB-CD1 3.62Å; Q156-Y188 HydrophobicContact CB-CE1 3.69Å; Q156-Y188 HydrophobicContact CB-CG 4.16Å; Q156-Y188 HydrophobicContact CG-CD1 3.64Å; Q156-Y188 HydrophobicContact CG-CD2 3.84Å; Q156-Y188 HydrophobicContact CG-CE1 3.67Å; Q156-Y188 HydrophobicContact CG-CE2 3.89Å; Q156-Y188 HydrophobicContact CG-CG 3.72Å; Q156-Y188 VanDerWaalsContact NE2-CE2 3.33Å; R158-Y188 PolarHBondContact NH2-O 3.28Å; T184-Y188 HydrophobicContact CG2-CD2 4.48Å; T184-Y188 HydrophobicContact CG2-CG 4.31Å; T184-Y188 WeakPolarHBondContact O-CB 3.38Å; T184-Y188 PolarHBondContact O-N 3.15Å; Y188-V192 HydrophobicContact CE1-CB 3.72Å; Y188-V192 HydrophobicContact CE1-CG1 3.96Å; Y188-V192 HydrophobicContact CE1-CG2 3.67Å; Y188-I237 WeakPolarHBondContact O-CD1 3.45Å |
| 189 | P | 83.1 | Confident | 74.8 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 51% | 0.506 | 32% | 0.316 | S | S | . | . | trans | -57.7 | 139.4 | -172.7 | -26 | 34.2 | 0 | 0 | 0 | 114.7 | R191 | P189-R191 PolarHBondContact O-N 3.45Š| ||
| 190 | S | 69.5 | Low | 73.2 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -66.2 | -16.9 | -179.2 | -49.2 | 0 | 0 | 0 | 0 | 114.7 | V192 | S190-V192 PolarHBondContact O-N 3.46Š|
| 191 | R | 60.4 | Low | 71.5 | Confident | 245 Ų | 245 | 70.8 Ų | 70.8 | 93% | 0.925 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -70.2 | -0.2 | -174.2 | -63.9 | -176.4 | -179.6 | 176.5 | -0.7 | 115 | P189 | P189-R191 PolarHBondContact O-N 3.45Š|
| 192 | V | 56.4 | Low | 70.5 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 21% | 0.212 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -104 | 1.8 | -171.9 | -172.2 | 0 | 0 | 0 | 0 | 113.1 | Y188 S190 I194 | Y188-V192 HydrophobicContact CE1-CB 3.72Å; Y188-V192 HydrophobicContact CE1-CG1 3.96Å; Y188-V192 HydrophobicContact CE1-CG2 3.67Å; S190-V192 PolarHBondContact O-N 3.46Å; V192-I194 PolarHBondContact O-N 2.95Å; V192-I194 VanDerWaalsContact O-N 3.1Å |
| 193 | R | 53.2 | Low | 69.8 | Low | 54 Ų | 54 | 74.6 Ų | 74.6 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | trans | -70.8 | 107.6 | 171.7 | -124 | -175.8 | -168.3 | 179.9 | 7.8 | 108.8 | T157 R158 M195 D206 | T157-R193 HydrophobicContact CG2-CG 4.42Å; T157-R193 PolarHBondContact O-NE 3.43Å; T157-R193 PolarHBondContact O-NH2 2.9Å; R158-R193 PolarHBondContact O-NH2 3.49Å; R158-R193 VanDerWaalsContact O-NH2 3.16Å; R193-M195 PolarHBondContact O-N 2.85Å; R193-D206 IonicContact CZ-OD2 2.65Å; R193-D206 VanDerWaalsContact CZ-OD2 3.27Å; R193-D206 IonicContact NH1-OD2 2.97Å; R193-D206 PolarHBondContact NH1-OD2 3.35Å; R193-D206 IonicContact NH2-OD2 3.03Å; R193-D206 PolarHBondContact NH2-OD2 2.83Å | ||
| 194 | I | 52.5 | Low | 69.4 | Low | 92 Ų | 92 | 77.6 Ų | 77.6 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | trans | -77.7 | 27.2 | 175.2 | -55.9 | 166 | 0 | 0 | 0 | 110.9 | L145 V192 | L145-I194 HydrophobicContact CD1-CD1 4.42Å; V192-I194 PolarHBondContact O-N 2.95Å; V192-I194 VanDerWaalsContact O-N 3.1Å | ||
| 195 | M | 50.1 | Low | 69.2 | Low | 80 Ų | 80 | 81 Ų | 81 | 39% | 0.394 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -122.1 | 133.8 | 179.8 | -70 | -177.5 | 72.6 | 0 | 0 | 109.1 | R193 | R193-M195 PolarHBondContact O-N 2.85Š|
| 196 | V | 45.9 | Very low | 68.9 | Low | 122 Ų | 122 | 82.6 Ų | 82.6 | 74% | 0.739 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -50.3 | 137.1 | -171.5 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | H198 | V196-H198 PolarHBondContact O-N 2.98Š|
| 197 | D | 47 | Very low | 68.8 | Low | 158 Ų | 158 | 82.6 Ų | 82.6 | 85% | 0.845 | 41% | 0.41 | S | S | * | . | trans | 30.5 | 65.3 | 159.6 | -60.7 | -26.4 | 0 | 0 | 0 | 117.6 | ||||
| 198 | H | 52.5 | Low | 68.9 | Low | 97 Ų | 97 | 83.5 Ų | 83.5 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | trans | -100.9 | 127.6 | 159.2 | -78.7 | -71.5 | 0 | 0 | 0 | 109.9 | V196 D202 | V196-H198 PolarHBondContact O-N 2.98Å; H198-D202 HydrophobicContact CB-CB 4.28Å; H198-D202 IonicContact CE1-OD2 2.67Å; H198-D202 IonicContact CG-OD2 2.92Å; H198-D202 IonicContact ND1-OD2 3.98Å; H198-D202 PolarHBondContact ND1-OD2 3.23Å | ||
| 199 | E | 55.6 | Low | 69.2 | Low | 140 Ų | 140 | 83.8 Ų | 83.8 | 65% | 0.654 | 42% | 0.421 | S | S | * | . | trans | -61.8 | 155.8 | 176.7 | -65.4 | -174.4 | 171.2 | 0 | 0 | 111 | I201 D202 | E199-I201 PolarHBondContact O-N 3.01Å; E199-I201 VanDerWaalsContact O-N 3.08Å; E199-D202 PolarHBondContact O-N 3.28Å; E199-D202 VanDerWaalsContact O-N 3.11Å | ||
| 200 | L | 59.9 | Low | 69.8 | Low | 133 Ų | 133 | 80.1 Ų | 80.1 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.2 | -26.2 | -180 | -75.7 | 165.3 | 0 | 0 | 0 | 113.6 | I203 Q204 | L200-I203 PolarHBondContact O-N 3.27Å; L200-Q204 PolarHBondContact O-N 3.21Å |
| 201 | I | 59.3 | Low | 71.1 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 55% | 0.554 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.1 | -43.5 | 178.2 | -66.9 | 164.2 | 0 | 0 | 0 | 110.7 | E199 I203 Q204 E205 | E199-I201 PolarHBondContact O-N 3.01Å; E199-I201 VanDerWaalsContact O-N 3.08Å; I201-I203 PolarHBondContact O-N 3.2Å; I201-Q204 PolarHBondContact O-N 3.36Å; I201-E205 PolarHBondContact O-N 3.15Å; I201-E205 VanDerWaalsContact O-N 3.14Å |
| 202 | D | 76.1 | Confident | 72.8 | Confident | 69 Ų | 69 | 69 Ų | 69 | 37% | 0.369 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 178.1 | -69 | -11.5 | 0 | 0 | 0 | 111.4 | H198 E199 E205 D206 | H198-D202 HydrophobicContact CB-CB 4.28Å; H198-D202 IonicContact CE1-OD2 2.67Å; H198-D202 IonicContact CG-OD2 2.92Å; H198-D202 IonicContact ND1-OD2 3.98Å; H198-D202 PolarHBondContact ND1-OD2 3.23Å; E199-D202 PolarHBondContact O-N 3.28Å; E199-D202 VanDerWaalsContact O-N 3.11Å; D202-E205 PolarHBondContact O-N 3.1Å; D202-D206 VanDerWaalsContact O-CB 3.25Å; D202-D206 WeakPolarHBondContact O-CB 3.34Å; D202-D206 PolarHBondContact O-N 3.13Å |
| 203 | I | 82.4 | Confident | 74.7 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.5 | -36.5 | -177.7 | -57.6 | 176.6 | 0 | 0 | 0 | 111.7 | L200 I201 A207 I237 | L200-I203 PolarHBondContact O-N 3.27Å; I201-I203 PolarHBondContact O-N 3.2Å; I203-A207 WeakPolarHBondContact O-CB 3.37Å; I203-A207 PolarHBondContact O-N 3.43Å; I203-I237 HydrophobicContact CG2-CG2 4.38Å |
| 204 | Q | 87.9 | Confident | 76.8 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 36% | 0.36 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.5 | -44.1 | 176.5 | -73.2 | -173 | -20 | 0 | 0 | 111.3 | L200 I201 A207 K208 I237 | L200-Q204 PolarHBondContact O-N 3.21Å; I201-Q204 PolarHBondContact O-N 3.36Å; Q204-A207 WeakPolarHBondContact O-CB 3.47Å; Q204-A207 PolarHBondContact O-N 3.27Å; Q204-K208 VanDerWaalsContact O-CG 3.24Å; Q204-K208 WeakPolarHBondContact O-CG 3.34Å; Q204-K208 PolarHBondContact O-N 3.23Å; Q204-I237 HydrophobicContact CG-CG2 3.92Å; Q204-I237 PolarHBondContact NE2-O 2.82Å |
| 205 | E | 89.3 | Confident | 78.8 | Confident | 92 Ų | 92 | 61.1 Ų | 61.1 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.5 | -69 | -52.3 | 134 | 0 | 0 | 112.4 | I201 D202 A207 K208 T209 | I201-E205 PolarHBondContact O-N 3.15Å; I201-E205 VanDerWaalsContact O-N 3.14Å; D202-E205 PolarHBondContact O-N 3.1Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 3.22Å; E205-K208 PolarHBondContact O-N 3.36Å; E205-K208 IonicContact OE1-NZ 2.68Å; E205-K208 PolarHBondContact OE1-NZ 3.45Å; E205-T209 WeakPolarHBondContact O-CB 3.36Å; E205-T209 PolarHBondContact O-N 3.16Å; E205-T209 PolarHBondContact O-OG1 3.36Å |
| 206 | D | 89.6 | Confident | 81 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 171.7 | -86.1 | -24.7 | 0 | 0 | 0 | 111.6 | R158 R193 D202 T209 C210 | R158-D206 HydrophobicContact CB-CB 3.94Å; R158-D206 WeakPolarHBondContact O-CB 3.47Å; R193-D206 IonicContact CZ-OD2 2.65Å; R193-D206 VanDerWaalsContact CZ-OD2 3.27Å; R193-D206 IonicContact NH1-OD2 2.97Å; R193-D206 PolarHBondContact NH1-OD2 3.35Å; R193-D206 IonicContact NH2-OD2 3.03Å; R193-D206 PolarHBondContact NH2-OD2 2.83Å; D202-D206 VanDerWaalsContact O-CB 3.25Å; D202-D206 WeakPolarHBondContact O-CB 3.34Å; D202-D206 PolarHBondContact O-N 3.13Å; D206-T209 PolarHBondContact O-N 3.07Å; D206-C210 WeakPolarHBondContact O-CB 3.1Å; D206-C210 PolarHBondContact O-N 2.79Å; D206-C210 PolarHBondContact O-SG 3.25Å |
| 207 | A | 93 | Very high | 83.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I185 I203 Q204 E205 C210 L211 I237 I238 | I185-A207 HydrophobicContact CG2-CB 4.32Å; I203-A207 WeakPolarHBondContact O-CB 3.37Å; I203-A207 PolarHBondContact O-N 3.43Å; Q204-A207 WeakPolarHBondContact O-CB 3.47Å; Q204-A207 PolarHBondContact O-N 3.27Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 3.22Å; A207-C210 PolarHBondContact O-N 2.98Å; A207-L211 WeakPolarHBondContact O-CB 3.02Å; A207-L211 PolarHBondContact O-N 3.15Å; A207-I237 HydrophobicContact CB-CG2 4.39Å; A207-I238 HydrophobicContact CB-CD1 3.7Å; A207-I238 HydrophobicContact CB-CG1 3.94Å |
| 208 | K | 94.9 | Very high | 85.7 | Confident | 30 Ų | 30 | 48 Ų | 48 | 13% | 0.13 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 178.7 | -69.7 | 166.8 | -175.6 | -177.7 | 0 | 111 | Q204 E205 L211 T212 I238 Y244 | Q204-K208 VanDerWaalsContact O-CG 3.24Å; Q204-K208 WeakPolarHBondContact O-CG 3.34Å; Q204-K208 PolarHBondContact O-N 3.23Å; E205-K208 PolarHBondContact O-N 3.36Å; E205-K208 IonicContact OE1-NZ 2.68Å; E205-K208 PolarHBondContact OE1-NZ 3.45Å; K208-L211 PolarHBondContact O-N 3.09Å; K208-T212 WeakPolarHBondContact O-CB 3.48Å; K208-T212 PolarHBondContact O-N 3.44Å; K208-T212 PolarHBondContact O-OG1 3.5Å; K208-I238 HydrophobicContact CB-CD1 4.36Å; K208-I238 HydrophobicContact CG-CD1 3.64Å; K208-I238 HydrophobicContact CG-CG1 4.12Å; K208-I238 HydrophobicContact CG-CG2 4.42Å; K208-Y244 HydrophobicContact CB-CD1 3.85Å; K208-Y244 HydrophobicContact CB-CE1 3.81Å; K208-Y244 HydrophobicContact CB-CG 4.43Å; K208-Y244 HydrophobicContact CD-CD1 4.38Å; K208-Y244 HydrophobicContact CD-CE1 3.55Å; K208-Y244 HydrophobicContact CD-CE2 4.07Å; K208-Y244 VanDerWaalsContact CD-OH 3.3Å; K208-Y244 WeakPolarHBondContact CD-OH 3.3Å; K208-Y244 VanDerWaalsContact CE-CZ 3.46Å; K208-Y244 WeakPolarHBondContact CE-OH 3.23Å; K208-Y244 HydrophobicContact CG-CD1 3.84Å; K208-Y244 HydrophobicContact CG-CD2 4.17Å; K208-Y244 HydrophobicContact CG-CE1 3.51Å; K208-Y244 HydrophobicContact CG-CE2 3.85Å; K208-Y244 HydrophobicContact CG-CG 4.16Å; K208-Y244 PolarHBondContact NZ-OH 2.68Å |
| 209 | T | 94.7 | Very high | 87.5 | Confident | 63 Ų | 63 | 46.5 Ų | 46.5 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 177 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | E205 D206 L211 T212 L213 | E205-T209 WeakPolarHBondContact O-CB 3.36Å; E205-T209 PolarHBondContact O-N 3.16Å; E205-T209 PolarHBondContact O-OG1 3.36Å; D206-T209 PolarHBondContact O-N 3.07Å; T209-L211 PolarHBondContact O-N 3.28Å; T209-T212 PolarHBondContact O-N 3.11Å; T209-L213 HydrophobicContact CG2-CD1 4.31Å; T209-L213 WeakPolarHBondContact O-CB 3.22Å; T209-L213 WeakPolarHBondContact O-CG 3.49Å; T209-L213 PolarHBondContact O-N 3.37Å |
| 210 | C | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 177 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | L163 I185 D206 A207 L213 C214 | L163-C210 HydrophobicContact CD2-CB 3.54Å; I185-C210 HydrophobicContact CD1-CB 3.83Å; I185-C210 HydrophobicContact CG1-CB 4.11Å; I185-C210 HydrophobicContact CG2-CB 3.82Å; D206-C210 WeakPolarHBondContact O-CB 3.1Å; D206-C210 PolarHBondContact O-N 2.79Å; D206-C210 PolarHBondContact O-SG 3.25Å; A207-C210 PolarHBondContact O-N 2.98Å; C210-L213 WeakPolarHBondContact O-CB 3.12Å; C210-L213 PolarHBondContact O-N 3.09Å; C210-C214 PolarHBondContact O-N 3.47Å; C210-C214 PolarHBondContact O-SG 2.84Å; C210-C214 VanDerWaalsContact O-SG 3.39Å |
| 211 | L | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 178 | -175.6 | 60.1 | 0 | 0 | 0 | 111.6 | V182 L186 A207 K208 T209 L213 C214 S215 I245 | V182-L211 HydrophobicContact CG1-CD1 3.73Å; L186-L211 HydrophobicContact CD2-CD2 4.08Å; A207-L211 WeakPolarHBondContact O-CB 3.02Å; A207-L211 PolarHBondContact O-N 3.15Å; K208-L211 PolarHBondContact O-N 3.09Å; T209-L211 PolarHBondContact O-N 3.28Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.99Å; L211-C214 PolarHBondContact O-N 2.75Å; L211-S215 PolarHBondContact O-N 3.21Å; L211-I245 HydrophobicContact CD1-CD1 4.3Å; L211-I245 HydrophobicContact CD1-CG1 4.05Å; L211-I245 HydrophobicContact CD2-CD1 4.4Å; L211-I245 HydrophobicContact CD2-CG1 3.81Å; L211-I245 HydrophobicContact CG-CG1 4.08Å |
| 212 | T | 95.6 | Very high | 92.7 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 29% | 0.288 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | K208 T209 S215 R216 | K208-T212 WeakPolarHBondContact O-CB 3.48Å; K208-T212 PolarHBondContact O-N 3.44Å; K208-T212 PolarHBondContact O-OG1 3.5Å; T209-T212 PolarHBondContact O-N 3.11Å; T212-S215 PolarHBondContact O-N 2.97Å; T212-S215 PolarHBondContact O-OG 2.9Å; T212-R216 VanDerWaalsContact O-CG 3.27Å; T212-R216 WeakPolarHBondContact O-CG 3.49Å; T212-R216 PolarHBondContact O-N 3.19Å |
| 213 | L | 96.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 174.2 | -76.5 | 171.3 | 0 | 0 | 0 | 111.7 | S160 K164 L167 T209 C210 L211 S215 R216 | S160-L213 WeakPolarHBondContact O-CD1 3.38Å; K164-L213 HydrophobicContact CB-CD1 3.96Å; K164-L213 HydrophobicContact CB-CD2 4.15Å; K164-L213 HydrophobicContact CG-CD2 4.15Å; L167-L213 HydrophobicContact CD1-CB 3.77Å; L167-L213 WeakPolarHBondContact CD1-O 3.2Å; T209-L213 HydrophobicContact CG2-CD1 4.31Å; T209-L213 WeakPolarHBondContact O-CB 3.22Å; T209-L213 WeakPolarHBondContact O-CG 3.49Å; T209-L213 PolarHBondContact O-N 3.37Å; C210-L213 WeakPolarHBondContact O-CB 3.12Å; C210-L213 PolarHBondContact O-N 3.09Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.99Å; L213-S215 PolarHBondContact O-N 2.91Å; L213-R216 WeakPolarHBondContact O-CB 3.49Å; L213-R216 PolarHBondContact O-N 2.92Å |
| 214 | C | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.6 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | L172 V182 C210 L211 R216 V217 L218 | L172-C214 HydrophobicContact CD2-CB 4.39Å; V182-C214 HydrophobicContact CG2-CB 4.02Å; C210-C214 PolarHBondContact O-N 3.47Å; C210-C214 PolarHBondContact O-SG 2.84Å; C210-C214 VanDerWaalsContact O-SG 3.39Å; L211-C214 PolarHBondContact O-N 2.75Å; C214-R216 PolarHBondContact O-N 3.45Å; C214-V217 PolarHBondContact O-N 3.06Å; C214-L218 WeakPolarHBondContact O-CG 3.37Å; C214-L218 PolarHBondContact O-N 3.14Å |
| 215 | S | 95.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.3 | -22 | 179.8 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | L211 T212 L213 V217 R249 H258 | L211-S215 PolarHBondContact O-N 3.21Å; T212-S215 PolarHBondContact O-N 2.97Å; T212-S215 PolarHBondContact O-OG 2.9Å; L213-S215 PolarHBondContact O-N 2.91Å; S215-V217 VanDerWaalsContact C-N 3.28Å; S215-R249 PolarHBondContact O-NE 3.38Å; S215-R249 VanDerWaalsContact O-NE 3.1Å; S215-H258 PolarHBondContact O-CE1 3.46Å; S215-H258 VanDerWaalsContact O-CE1 3.23Å |
| 216 | R | 95.2 | Very high | 94.8 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.3 | 171.6 | -70.7 | 168 | -179 | -148.9 | -8.8 | 113.7 | T212 L213 C214 H258 R261 L293 S295 | T212-R216 VanDerWaalsContact O-CG 3.27Å; T212-R216 WeakPolarHBondContact O-CG 3.49Å; T212-R216 PolarHBondContact O-N 3.19Å; L213-R216 WeakPolarHBondContact O-CB 3.49Å; L213-R216 PolarHBondContact O-N 2.92Å; C214-R216 PolarHBondContact O-N 3.45Å; R216-H258 VanDerWaalsContact C-CE1 3.46Å; R216-H258 PolarHBondContact O-CE1 3.41Å; R216-R261 VanDerWaalsContact O-CD 3.27Å; R216-R261 WeakPolarHBondContact O-CD 3.44Å; R216-R261 PolarHBondContact O-NH1 2.63Å; R216-L293 HydrophobicContact CB-CD2 3.98Å; R216-S295 VanDerWaalsContact CZ-OXT 3.24Å; R216-S295 PolarHBondContact NH1-O 3.18Å; R216-S295 PolarHBondContact NH1-OXT 3.32Å; R216-S295 PolarHBondContact NH2-OXT 3.42Å |
| 217 | V | 95.4 | Very high | 95 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -42.7 | -178.8 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | L167 L172 E173 C214 S215 L293 | L167-V217 HydrophobicContact CB-CG2 4.13Å; L167-V217 HydrophobicContact CD1-CG2 3.94Å; L167-V217 HydrophobicContact CG-CG2 4.43Å; L172-V217 HydrophobicContact CD2-CB 4.3Å; L172-V217 HydrophobicContact CD2-CG1 4.13Å; E173-V217 HydrophobicContact CG-CG1 3.49Å; E173-V217 VanDerWaalsContact CG-CG1 3.49Å; E173-V217 WeakPolarHBondContact OE1-CG1 3.34Å; E173-V217 WeakPolarHBondContact OE2-CG1 3.37Å; C214-V217 PolarHBondContact O-N 3.06Å; S215-V217 VanDerWaalsContact C-N 3.28Å; V217-L293 HydrophobicContact CG2-CD1 3.72Å; V217-L293 HydrophobicContact CG2-CD2 4.11Å |
| 218 | L | 95.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -78.7 | 141.8 | -175.9 | -59.3 | 177.5 | 0 | 0 | 0 | 111.6 | L172 P178 V182 C214 I221 R249 H258 | L172-L218 HydrophobicContact CD2-CD1 4.4Å; L172-L218 HydrophobicContact CD2-CD2 3.98Å; L172-L218 HydrophobicContact CD2-CG 4.09Å; L172-L218 HydrophobicContact CG-CD2 4.15Å; P178-L218 HydrophobicContact CB-CD2 3.6Å; P178-L218 HydrophobicContact CG-CD2 3.85Å; V182-L218 HydrophobicContact CG2-CD1 3.81Å; C214-L218 WeakPolarHBondContact O-CG 3.37Å; C214-L218 PolarHBondContact O-N 3.14Å; L218-I221 HydrophobicContact CB-CG1 4.23Å; L218-I221 HydrophobicContact CD1-CD1 4.22Å; L218-I221 HydrophobicContact CD1-CG1 4Å; L218-R249 VanDerWaalsContact O-CD 3.25Å; L218-R249 WeakPolarHBondContact O-CD 3.43Å; L218-R249 PolarHBondContact O-NE 3.24Å; L218-H258 PolarHBondContact O-NE2 2.87Å | ||
| 219 | S | 92.2 | Very high | 95.1 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 46% | 0.462 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -77.1 | -35.5 | 172.5 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | R249 I262 | S219-R249 WeakPolarHBondContact O-CD 3.4Å; S219-I262 VanDerWaalsContact CA-CD1 3.48Å |
| 220 | A | 93.6 | Very high | 95 | Very high | 68 Ų | 68 | 42 Ų | 42 | 56% | 0.562 | 22% | 0.222 | S | C | * | . | trans | -142.7 | 146.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R249 | A220-R249 CarbonylContact C-O 3.48Å; A220-R249 WeakPolarHBondContact CA-O 3.36Å | ||
| 221 | I | 95 | Very high | 94.9 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -127.1 | 120.1 | 174.1 | -59.3 | -175.2 | 0 | 0 | 0 | 107.9 | I179 V182 L218 V223 I226 I245 R249 Y250 | I179-I221 HydrophobicContact CD1-CG2 3.61Å; V182-I221 HydrophobicContact CG1-CG2 4.15Å; V182-I221 HydrophobicContact CG2-CD1 4.41Å; L218-I221 HydrophobicContact CB-CG1 4.23Å; L218-I221 HydrophobicContact CD1-CD1 4.22Å; L218-I221 HydrophobicContact CD1-CG1 4Å; I221-V223 PolarHBondContact O-N 3Å; I221-I226 HydrophobicContact CG2-CD1 4.03Å; I221-I245 HydrophobicContact CB-CG2 4.35Å; I221-I245 HydrophobicContact CD1-CG2 4.1Å; I221-I245 HydrophobicContact CG2-CD1 4.03Å; I221-R249 HydrophobicContact CG1-CB 4.48Å; I221-R249 PolarHBondContact N-O 3.14Å; I221-Y250 WeakPolarHBondContact O-CB 3.22Å | ||
| 222 | S | 94.1 | Very high | 94.7 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | trans | -74.6 | 94.6 | -178 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | R224 E225 I226 | S222-R224 PolarHBondContact O-N 3.05Å; S222-E225 PolarHBondContact O-N 3.09Å; S222-E225 WeakPolarHBondContact OG-CB 3.29Å; S222-E225 PolarHBondContact OG-N 3.27Å; S222-I226 PolarHBondContact O-N 2.77Å | ||
| 223 | V | 94.9 | Very high | 94.4 | Very high | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 172.9 | 161.3 | 0 | 0 | 0 | 0 | 111.4 | I221 E225 I226 E227 W241 L242 Y250 | I221-V223 PolarHBondContact O-N 3Å; V223-E225 VanDerWaalsContact C-N 3.28Å; V223-E225 PolarHBondContact O-N 3.37Å; V223-I226 WeakPolarHBondContact O-CB 3.5Å; V223-I226 PolarHBondContact O-N 2.94Å; V223-I226 VanDerWaalsContact O-N 3.1Å; V223-E227 HydrophobicContact CG1-CG 4.13Å; V223-E227 WeakPolarHBondContact O-CG 3.25Å; V223-E227 PolarHBondContact O-N 2.93Å; V223-W241 HydrophobicContact CG1-CH2 4.07Å; V223-W241 HydrophobicContact CG2-CH2 4.24Å; V223-W241 HydrophobicContact CG2-CZ3 4.2Å; V223-L242 HydrophobicContact CG1-CD1 4.45Å; V223-L242 HydrophobicContact CG2-CD1 3.71Å; V223-Y250 HydrophobicContact CB-CD2 4.35Å; V223-Y250 HydrophobicContact CG2-CD1 4.2Å; V223-Y250 HydrophobicContact CG2-CD2 3.62Å; V223-Y250 HydrophobicContact CG2-CE2 4.35Å; V223-Y250 HydrophobicContact CG2-CG 3.53Å |
| 224 | R | 94.3 | Very high | 94 | Very high | 201 Ų | 201 | 59 Ų | 59 | 76% | 0.758 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.6 | -39.3 | 176.7 | -175.6 | -179.9 | 177.9 | -175.9 | 0.5 | 112.7 | S222 T228 | S222-R224 PolarHBondContact O-N 3.05Å; R224-T228 WeakPolarHBondContact O-CB 3.11Å; R224-T228 PolarHBondContact O-N 3.36Å; R224-T228 PolarHBondContact O-OG1 2.93Å |
| 225 | E | 94.9 | Very high | 93.6 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 178.2 | -169.7 | 173.4 | 170.6 | 0 | 0 | 111.4 | I179 L183 S222 V223 T228 Q229 | I179-E225 WeakPolarHBondContact CG2-OE2 3.43Å; L183-E225 HydrophobicContact CD1-CG 4.21Å; S222-E225 PolarHBondContact O-N 3.09Å; S222-E225 WeakPolarHBondContact OG-CB 3.29Å; S222-E225 PolarHBondContact OG-N 3.27Å; V223-E225 VanDerWaalsContact C-N 3.28Å; V223-E225 PolarHBondContact O-N 3.37Å; E225-T228 PolarHBondContact O-N 2.92Å; E225-Q229 WeakPolarHBondContact O-CG 3.27Å; E225-Q229 PolarHBondContact O-N 3.01Å; E225-Q229 VanDerWaalsContact O-N 3.12Å |
| 226 | I | 95.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -52 | 173.4 | -58.5 | 168.9 | 0 | 0 | 0 | 109.9 | V182 L183 L186 I221 S222 V223 T228 Q229 L230 W241 I245 | V182-I226 HydrophobicContact CG1-CD1 4.34Å; L183-I226 HydrophobicContact CD2-CB 4.27Å; L183-I226 HydrophobicContact CD2-CG1 3.75Å; L186-I226 HydrophobicContact CD1-CD1 4.03Å; L186-I226 HydrophobicContact CD1-CG2 4.26Å; I221-I226 HydrophobicContact CG2-CD1 4.03Å; S222-I226 PolarHBondContact O-N 2.77Å; V223-I226 WeakPolarHBondContact O-CB 3.5Å; V223-I226 PolarHBondContact O-N 2.94Å; V223-I226 VanDerWaalsContact O-N 3.1Å; I226-T228 VanDerWaalsContact C-N 3.27Å; I226-T228 PolarHBondContact O-N 3.14Å; I226-Q229 WeakPolarHBondContact O-CB 3.32Å; I226-Q229 PolarHBondContact O-N 3.28Å; I226-L230 HydrophobicContact CG2-CD1 4.42Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 3.47Å; I226-W241 HydrophobicContact CB-CH2 3.82Å; I226-W241 HydrophobicContact CB-CZ2 4.32Å; I226-W241 HydrophobicContact CB-CZ3 4.19Å; I226-W241 HydrophobicContact CD1-CE3 4.15Å; I226-W241 HydrophobicContact CD1-CH2 4Å; I226-W241 HydrophobicContact CD1-CZ3 3.49Å; I226-W241 VanDerWaalsContact CD1-CZ3 3.49Å; I226-W241 HydrophobicContact CG1-CZ3 4.43Å; I226-W241 HydrophobicContact CG2-CD2 4.28Å; I226-W241 HydrophobicContact CG2-CE3 4.21Å; I226-W241 HydrophobicContact CG2-CH2 3.52Å; I226-W241 HydrophobicContact CG2-CZ2 3.6Å; I226-W241 HydrophobicContact CG2-CZ3 3.85Å; I226-I245 HydrophobicContact CD1-CD1 4.1Å |
| 227 | E | 94.9 | Very high | 93.2 | Very high | 107 Ų | 107 | 69 Ų | 69 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58 | -38.7 | 177.7 | -71.6 | 174.6 | 162.8 | 0 | 0 | 112.5 | V223 Q229 L230 S231 | V223-E227 HydrophobicContact CG1-CG 4.13Å; V223-E227 WeakPolarHBondContact O-CG 3.25Å; V223-E227 PolarHBondContact O-N 2.93Å; E227-Q229 VanDerWaalsContact C-N 3.34Å; E227-Q229 PolarHBondContact O-N 3.1Å; E227-L230 WeakPolarHBondContact O-CB 3.45Å; E227-L230 PolarHBondContact O-N 2.98Å; E227-L230 VanDerWaalsContact O-N 3.16Å; E227-S231 PolarHBondContact O-N 3.47Å |
| 228 | T | 95.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | R224 E225 I226 L230 S231 L232 | R224-T228 WeakPolarHBondContact O-CB 3.11Å; R224-T228 PolarHBondContact O-N 3.36Å; R224-T228 PolarHBondContact O-OG1 2.93Å; E225-T228 PolarHBondContact O-N 2.92Å; I226-T228 VanDerWaalsContact C-N 3.27Å; I226-T228 PolarHBondContact O-N 3.14Å; T228-L230 VanDerWaalsContact C-N 3.3Å; T228-L230 PolarHBondContact O-N 3.24Å; T228-S231 PolarHBondContact O-N 3Å; T228-S231 PolarHBondContact O-OG 3.29Å; T228-L232 WeakPolarHBondContact O-CG 3.35Å; T228-L232 PolarHBondContact O-N 3.49Å |
| 229 | Q | 93.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 76.3 Ų | 76.3 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 176.3 | -65.4 | -61.8 | -47.3 | 0 | 0 | 113.1 | L183 L187 E225 I226 E227 L232 R234 | L183-Q229 HydrophobicContact CD1-CG 4.36Å; L183-Q229 HydrophobicContact CD2-CG 4.06Å; L187-Q229 HydrophobicContact CD1-CB 3.46Å; L187-Q229 VanDerWaalsContact CD1-CB 3.46Å; L187-Q229 HydrophobicContact CD1-CG 4.07Å; E225-Q229 WeakPolarHBondContact O-CG 3.27Å; E225-Q229 PolarHBondContact O-N 3.01Å; E225-Q229 VanDerWaalsContact O-N 3.12Å; I226-Q229 WeakPolarHBondContact O-CB 3.32Å; I226-Q229 PolarHBondContact O-N 3.28Å; E227-Q229 VanDerWaalsContact C-N 3.34Å; E227-Q229 PolarHBondContact O-N 3.1Å; Q229-L232 PolarHBondContact O-N 2.75Å; Q229-R234 WeakPolarHBondContact O-CB 3.49Å; Q229-R234 PolarHBondContact O-N 3.39Å |
| 230 | L | 93.1 | Very high | 92.5 | Very high | 47 Ų | 47 | 76.7 Ų | 76.7 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -42 | 174.7 | -62.6 | -177.5 | 0 | 0 | 0 | 111.9 | L187 I226 E227 T228 L232 G233 R234 P236 W241 | L187-L230 HydrophobicContact CD2-CD2 3.71Å; I226-L230 HydrophobicContact CG2-CD1 4.42Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 3.47Å; E227-L230 WeakPolarHBondContact O-CB 3.45Å; E227-L230 PolarHBondContact O-N 2.98Å; E227-L230 VanDerWaalsContact O-N 3.16Å; T228-L230 VanDerWaalsContact C-N 3.3Å; T228-L230 PolarHBondContact O-N 3.24Å; L230-L232 PolarHBondContact O-N 3.23Å; L230-G233 PolarHBondContact O-N 2.76Å; L230-R234 WeakPolarHBondContact CD2-O 3.3Å; L230-P236 HydrophobicContact CD2-CB 4.24Å; L230-P236 HydrophobicContact CD2-CG 4.02Å; L230-W241 HydrophobicContact CD1-CZ2 4.07Å |
| 231 | S | 93.3 | Very high | 92.5 | Very high | 95 Ų | 95 | 74.6 Ų | 74.6 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.6 | -27.2 | 175.3 | 72.7 | 0 | 0 | 0 | 0 | 113 | E227 T228 G233 | E227-S231 PolarHBondContact O-N 3.47Å; T228-S231 PolarHBondContact O-N 3Å; T228-S231 PolarHBondContact O-OG 3.29Å; S231-G233 PolarHBondContact O-N 3.02Å |
| 232 | L | 93.1 | Very high | 92.5 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 9.1 | 172.4 | -65.4 | 173.2 | 0 | 0 | 0 | 113.3 | T228 Q229 L230 | T228-L232 WeakPolarHBondContact O-CG 3.35Å; T228-L232 PolarHBondContact O-N 3.49Å; Q229-L232 PolarHBondContact O-N 2.75Å; L230-L232 PolarHBondContact O-N 3.23Å |
| 233 | G | 88.3 | Confident | 92.5 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 62% | 0.619 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 5.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L230 S231 | L230-G233 PolarHBondContact O-N 2.76Å; S231-G233 PolarHBondContact O-N 3.02Å |
| 234 | R | 88.3 | Confident | 92.4 | Very high | 135 Ų | 135 | 82.4 Ų | 82.4 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | trans | -70.5 | 143.3 | 170.6 | -60.4 | -166.7 | 178.9 | -164.3 | 2.9 | 109.8 | L187 Q229 L230 | L187-R234 HydrophobicContact CD1-CB 4.32Å; L187-R234 HydrophobicContact CD2-CB 4.4Å; Q229-R234 WeakPolarHBondContact O-CB 3.49Å; Q229-R234 PolarHBondContact O-N 3.39Å; L230-R234 WeakPolarHBondContact CD2-O 3.3Å | ||
| 235 | R | 89.4 | Confident | 92.4 | Very high | 216 Ų | 216 | 73 Ų | 73 | 82% | 0.815 | 37% | 0.37 | S | S | * | . | trans | -108.9 | 130.3 | 178.8 | -64.6 | -172.1 | -179 | -169.2 | -0.1 | 110 | ||||
| 236 | P | 91.9 | Very high | 92.3 | Very high | 37 Ų | 37 | 72 Ų | 72 | 24% | 0.24 | 37% | 0.369 | C | S | . | . | trans | -75.2 | 146.2 | 176.5 | 33.9 | -30.8 | 0 | 0 | 0 | 109.4 | L186 L187 L230 I238 | L186-P236 WeakPolarHBondContact O-CA 3.33Å; L187-P236 HydrophobicContact CD2-CB 4.11Å; L230-P236 HydrophobicContact CD2-CB 4.24Å; L230-P236 HydrophobicContact CD2-CG 4.02Å; P236-I238 VanDerWaalsContact C-N 3.3Å; P236-I238 WeakPolarHBondContact CB-O 3.47Å | ||
| 237 | I | 89.9 | Confident | 92.3 | Very high | 25 Ų | 25 | 74.9 Ų | 74.9 | 13% | 0.128 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -70.5 | -34.1 | 176.5 | -71.3 | 169.9 | 0 | 0 | 0 | 111.2 | R158 L186 Y188 I203 Q204 A207 | R158-I237 VanDerWaalsContact NE-CD1 3.31Å; L186-I237 PolarHBondContact O-N 3.23Å; Y188-I237 WeakPolarHBondContact O-CD1 3.45Å; I203-I237 HydrophobicContact CG2-CG2 4.38Å; Q204-I237 HydrophobicContact CG-CG2 3.92Å; Q204-I237 PolarHBondContact NE2-O 2.82Å; A207-I237 HydrophobicContact CB-CG2 4.39Å |
| 238 | I | 90.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -101.2 | 117.7 | 174.7 | -50.9 | 163.5 | 0 | 0 | 0 | 107 | L186 A207 K208 P236 N240 W241 Y244 | L186-I238 HydrophobicContact CD2-CD1 4.16Å; A207-I238 HydrophobicContact CB-CD1 3.7Å; A207-I238 HydrophobicContact CB-CG1 3.94Å; K208-I238 HydrophobicContact CB-CD1 4.36Å; K208-I238 HydrophobicContact CG-CD1 3.64Å; K208-I238 HydrophobicContact CG-CG1 4.12Å; K208-I238 HydrophobicContact CG-CG2 4.42Å; P236-I238 VanDerWaalsContact C-N 3.3Å; P236-I238 WeakPolarHBondContact CB-O 3.47Å; I238-N240 WeakPolarHBondContact CG2-OD1 3.28Å; I238-W241 HydrophobicContact CB-CB 4.11Å; I238-W241 HydrophobicContact CG2-CB 4.41Å; I238-W241 WeakPolarHBondContact O-CB 3.41Å; I238-W241 PolarHBondContact O-N 2.88Å; I238-Y244 HydrophobicContact CG2-CD2 3.86Å; I238-Y244 HydrophobicContact CG2-CE2 3.61Å |
| 239 | Q | 87.9 | Confident | 92.2 | Very high | 175 Ų | 175 | 68.4 Ų | 68.4 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -44.7 | -178.3 | -68.4 | -178.3 | -3.4 | 0 | 0 | 111.5 | W241 | Q239-W241 VanDerWaalsContact C-N 3.33Å; Q239-W241 PolarHBondContact O-N 3.5Å |
| 240 | N | 91.6 | Very high | 92.2 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 41.9 | 178.1 | 67.2 | -41.9 | 0 | 0 | 0 | 112.4 | I238 L242 D243 | I238-N240 WeakPolarHBondContact CG2-OD1 3.28Å; N240-L242 PolarHBondContact O-N 3.3Å; N240-D243 WeakPolarHBondContact CB-OD2 3.42Å; N240-D243 PolarHBondContact ND2-OD2 3.39Å; N240-D243 WeakPolarHBondContact O-CB 3.46Å; N240-D243 PolarHBondContact O-N 3.39Å; N240-D243 VanDerWaalsContact O-N 3.08Å |
| 241 | W | 93.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 75.8 Ų | 75.8 | 9% | 0.087 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -54.8 | -28.6 | -174.6 | 60.7 | -89.1 | 0 | 0 | 0 | 114.5 | L186 V223 I226 L230 I238 Q239 D243 Y244 I245 | L186-W241 HydrophobicContact CD1-CE3 4.23Å; L186-W241 HydrophobicContact CD2-CB 3.69Å; L186-W241 HydrophobicContact CD2-CG 4.47Å; V223-W241 HydrophobicContact CG1-CH2 4.07Å; V223-W241 HydrophobicContact CG2-CH2 4.24Å; V223-W241 HydrophobicContact CG2-CZ3 4.2Å; I226-W241 HydrophobicContact CB-CH2 3.82Å; I226-W241 HydrophobicContact CB-CZ2 4.32Å; I226-W241 HydrophobicContact CB-CZ3 4.19Å; I226-W241 HydrophobicContact CD1-CE3 4.15Å; I226-W241 HydrophobicContact CD1-CH2 4Å; I226-W241 HydrophobicContact CD1-CZ3 3.49Å; I226-W241 VanDerWaalsContact CD1-CZ3 3.49Å; I226-W241 HydrophobicContact CG1-CZ3 4.43Å; I226-W241 HydrophobicContact CG2-CD2 4.28Å; I226-W241 HydrophobicContact CG2-CE3 4.21Å; I226-W241 HydrophobicContact CG2-CH2 3.52Å; I226-W241 HydrophobicContact CG2-CZ2 3.6Å; I226-W241 HydrophobicContact CG2-CZ3 3.85Å; L230-W241 HydrophobicContact CD1-CZ2 4.07Å; I238-W241 HydrophobicContact CB-CB 4.11Å; I238-W241 HydrophobicContact CG2-CB 4.41Å; I238-W241 WeakPolarHBondContact O-CB 3.41Å; I238-W241 PolarHBondContact O-N 2.88Å; Q239-W241 VanDerWaalsContact C-N 3.33Å; Q239-W241 PolarHBondContact O-N 3.5Å; W241-D243 VanDerWaalsContact C-N 3.27Å; W241-D243 PolarHBondContact O-N 3.44Å; W241-Y244 PolarHBondContact O-N 3.42Å; W241-I245 HydrophobicContact CE3-CD1 3.82Å; W241-I245 HydrophobicContact CZ3-CD1 3.75Å |
| 242 | L | 94.3 | Very high | 92.1 | Very high | 57 Ų | 57 | 75 Ų | 75 | 30% | 0.298 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -64.1 | -32.2 | -179.3 | -169 | 64.7 | 0 | 0 | 0 | 112.1 | V223 N240 Y244 I245 Y250 | V223-L242 HydrophobicContact CG1-CD1 4.45Å; V223-L242 HydrophobicContact CG2-CD1 3.71Å; N240-L242 PolarHBondContact O-N 3.3Å; L242-Y244 PolarHBondContact O-N 2.74Å; L242-Y244 VanDerWaalsContact O-N 3.14Å; L242-I245 PolarHBondContact O-N 3.02Å; L242-Y250 HydrophobicContact CD1-CD1 4.46Å; L242-Y250 HydrophobicContact CD1-CD2 4.48Å; L242-Y250 HydrophobicContact CD1-CE1 3.93Å; L242-Y250 HydrophobicContact CD1-CE2 3.98Å |
| 243 | D | 93.3 | Very high | 91.8 | Very high | 121 Ų | 121 | 74.5 Ų | 74.5 | 65% | 0.647 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -63.8 | -20.2 | 179.1 | -60.9 | -14.9 | 0 | 0 | 0 | 112.7 | N240 W241 | N240-D243 WeakPolarHBondContact CB-OD2 3.42Å; N240-D243 PolarHBondContact ND2-OD2 3.39Å; N240-D243 WeakPolarHBondContact O-CB 3.46Å; N240-D243 PolarHBondContact O-N 3.39Å; N240-D243 VanDerWaalsContact O-N 3.08Å; W241-D243 VanDerWaalsContact C-N 3.27Å; W241-D243 PolarHBondContact O-N 3.44Å |
| 244 | Y | 92.9 | Very high | 92 | Very high | 62 Ų | 62 | 73 Ų | 73 | 24% | 0.243 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -94.6 | 0.7 | -179.5 | -62.9 | -81.3 | 0 | 0 | 0 | 113 | K208 I238 W241 L242 | K208-Y244 HydrophobicContact CB-CD1 3.85Å; K208-Y244 HydrophobicContact CB-CE1 3.81Å; K208-Y244 HydrophobicContact CB-CG 4.43Å; K208-Y244 HydrophobicContact CD-CD1 4.38Å; K208-Y244 HydrophobicContact CD-CE1 3.55Å; K208-Y244 HydrophobicContact CD-CE2 4.07Å; K208-Y244 VanDerWaalsContact CD-OH 3.3Å; K208-Y244 WeakPolarHBondContact CD-OH 3.3Å; K208-Y244 VanDerWaalsContact CE-CZ 3.46Å; K208-Y244 WeakPolarHBondContact CE-OH 3.23Å; K208-Y244 HydrophobicContact CG-CD1 3.84Å; K208-Y244 HydrophobicContact CG-CD2 4.17Å; K208-Y244 HydrophobicContact CG-CE1 3.51Å; K208-Y244 HydrophobicContact CG-CE2 3.85Å; K208-Y244 HydrophobicContact CG-CG 4.16Å; K208-Y244 PolarHBondContact NZ-OH 2.68Å; I238-Y244 HydrophobicContact CG2-CD2 3.86Å; I238-Y244 HydrophobicContact CG2-CE2 3.61Å; W241-Y244 PolarHBondContact O-N 3.42Å; L242-Y244 PolarHBondContact O-N 2.74Å; L242-Y244 VanDerWaalsContact O-N 3.14Å |
| 245 | I | 94.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -109.3 | 119.4 | 172.1 | -54.7 | 179 | 0 | 0 | 0 | 107.5 | L211 I221 I226 W241 L242 R249 Y250 | L211-I245 HydrophobicContact CD1-CD1 4.3Å; L211-I245 HydrophobicContact CD1-CG1 4.05Å; L211-I245 HydrophobicContact CD2-CD1 4.4Å; L211-I245 HydrophobicContact CD2-CG1 3.81Å; L211-I245 HydrophobicContact CG-CG1 4.08Å; I221-I245 HydrophobicContact CB-CG2 4.35Å; I221-I245 HydrophobicContact CD1-CG2 4.1Å; I221-I245 HydrophobicContact CG2-CD1 4.03Å; I226-I245 HydrophobicContact CD1-CD1 4.1Å; W241-I245 HydrophobicContact CE3-CD1 3.82Å; W241-I245 HydrophobicContact CZ3-CD1 3.75Å; L242-I245 PolarHBondContact O-N 3.02Å; I245-R249 HydrophobicContact CG2-CB 3.96Å; I245-Y250 HydrophobicContact CB-CD1 4.28Å; I245-Y250 HydrophobicContact CB-CE1 4.38Å; I245-Y250 HydrophobicContact CG2-CD1 3.69Å; I245-Y250 HydrophobicContact CG2-CE1 4.24Å; I245-Y250 WeakPolarHBondContact O-CE1 3.33Å |
| 246 | P | 94.5 | Very high | 92.5 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | trans | -57 | 135.3 | 175.5 | -23.7 | 33 | 0 | 0 | 0 | 111.1 | T248 R249 Y250 | P246-T248 PolarHBondContact O-N 3.13Å; P246-T248 VanDerWaalsContact O-N 3.07Å; P246-R249 HydrophobicContact CB-CG 4.12Å; P246-R249 HydrophobicContact CG-CG 4.27Å; P246-R249 WeakPolarHBondContact O-CB 3.41Å; P246-R249 PolarHBondContact O-N 3.06Å; P246-Y250 WeakPolarHBondContact O-CD1 3.45Å | ||
| 247 | P | 94.3 | Very high | 92.6 | Very high | 60 Ų | 60 | 69 Ų | 69 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -51.6 | -33.1 | 177.7 | -30.7 | 36.9 | 0 | 0 | 0 | 114 | R249 Y250 K251 D252 | P247-R249 PolarHBondContact O-N 3.48Å; P247-R249 VanDerWaalsContact O-N 3.07Å; P247-Y250 VanDerWaalsContact CA-CE1 3.44Å; P247-Y250 HydrophobicContact CB-CE1 4.41Å; P247-Y250 PolarHBondContact O-N 3Å; P247-Y250 VanDerWaalsContact O-N 3.12Å; P247-K251 PolarHBondContact O-N 3.32Å; P247-D252 VanDerWaalsContact CB-OD2 3.25Å; P247-D252 WeakPolarHBondContact CB-OD2 3.23Å; P247-D252 PolarHBondContact O-N 3.38Å |
| 248 | T | 94 | Very high | 92.9 | Very high | 23 Ų | 23 | 68.1 Ų | 68.1 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -68.2 | 1.4 | 175 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | P246 D252 P253 C254 E255 | P246-T248 PolarHBondContact O-N 3.13Å; P246-T248 VanDerWaalsContact O-N 3.07Å; T248-D252 CarbonylContact C-O 3.46Å; T248-D252 WeakPolarHBondContact CA-O 3.29Å; T248-D252 HydrophobicContact CG2-CB 4.14Å; T248-P253 WeakPolarHBondContact CG2-O 3.35Å; T248-C254 WeakPolarHBondContact O-CA 3.26Å; T248-E255 VanDerWaalsContact CB-CD 3.48Å; T248-E255 VanDerWaalsContact CB-OE1 3.28Å; T248-E255 WeakPolarHBondContact CB-OE1 3.43Å; T248-E255 HydrophobicContact CG2-CG 4.08Å; T248-E255 VanDerWaalsContact CG2-OE1 3.22Å; T248-E255 WeakPolarHBondContact CG2-OE1 3.42Å; T248-E255 PolarHBondContact OG1-OE1 2.97Å; T248-E255 PolarHBondContact OG1-OE2 3.16Å; T248-E255 VanDerWaalsContact OG1-OE2 3.11Å |
| 249 | R | 94.8 | Very high | 93.1 | Very high | 14 Ų | 14 | 71.6 Ų | 71.6 | 5% | 0.053 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -106.3 | -11.5 | 172.3 | -58.8 | -66.1 | 169.5 | -79.4 | -7.6 | 113 | S215 L218 S219 A220 I221 I245 P246 P247 C254 E255 H258 | S215-R249 PolarHBondContact O-NE 3.38Å; S215-R249 VanDerWaalsContact O-NE 3.1Å; L218-R249 VanDerWaalsContact O-CD 3.25Å; L218-R249 WeakPolarHBondContact O-CD 3.43Å; L218-R249 PolarHBondContact O-NE 3.24Å; S219-R249 WeakPolarHBondContact O-CD 3.4Å; A220-R249 CarbonylContact C-O 3.48Å; A220-R249 WeakPolarHBondContact CA-O 3.36Å; I221-R249 HydrophobicContact CG1-CB 4.48Å; I221-R249 PolarHBondContact N-O 3.14Å; I245-R249 HydrophobicContact CG2-CB 3.96Å; P246-R249 HydrophobicContact CB-CG 4.12Å; P246-R249 HydrophobicContact CG-CG 4.27Å; P246-R249 WeakPolarHBondContact O-CB 3.41Å; P246-R249 PolarHBondContact O-N 3.06Å; P247-R249 PolarHBondContact O-N 3.48Å; P247-R249 VanDerWaalsContact O-N 3.07Å; R249-C254 PolarHBondContact NH1-SG 2.82Å; R249-E255 IonicContact CZ-OE2 3.89Å; R249-E255 IonicContact NH1-OE2 3.27Å; R249-E255 PolarHBondContact NH1-OE2 3.18Å; R249-E255 IonicContact NH2-OE2 3.73Å; R249-E255 PolarHBondContact NH2-OE2 3.02Å; R249-H258 VanDerWaalsContact CZ-CG 3.49Å; R249-H258 PolarHBondContact NE-CE1 3.45Å; R249-H258 PolarHBondContact NE-NE2 2.9Å; R249-H258 VanDerWaalsContact NE-NE2 3.12Å; R249-H258 VanDerWaalsContact NH2-CB 3.27Å; R249-H258 PolarHBondContact NH2-CD2 3.4Å; R249-H258 VanDerWaalsContact NH2-CD2 3.31Å; R249-H258 PolarHBondContact NH2-CE1 2.96Å; R249-H258 VanDerWaalsContact NH2-CE1 3.35Å; R249-H258 PolarHBondContact NH2-ND1 2.97Å |
| 250 | Y | 93.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.9 | -17.4 | -176.1 | 71.1 | -92.6 | 0 | 0 | 0 | 115.7 | I221 V223 L242 I245 P246 P247 | I221-Y250 WeakPolarHBondContact O-CB 3.22Å; V223-Y250 HydrophobicContact CB-CD2 4.35Å; V223-Y250 HydrophobicContact CG2-CD1 4.2Å; V223-Y250 HydrophobicContact CG2-CD2 3.62Å; V223-Y250 HydrophobicContact CG2-CE2 4.35Å; V223-Y250 HydrophobicContact CG2-CG 3.53Å; L242-Y250 HydrophobicContact CD1-CD1 4.46Å; L242-Y250 HydrophobicContact CD1-CD2 4.48Å; L242-Y250 HydrophobicContact CD1-CE1 3.93Å; L242-Y250 HydrophobicContact CD1-CE2 3.98Å; I245-Y250 HydrophobicContact CB-CD1 4.28Å; I245-Y250 HydrophobicContact CB-CE1 4.38Å; I245-Y250 HydrophobicContact CG2-CD1 3.69Å; I245-Y250 HydrophobicContact CG2-CE1 4.24Å; I245-Y250 WeakPolarHBondContact O-CE1 3.33Å; P246-Y250 WeakPolarHBondContact O-CD1 3.45Å; P247-Y250 VanDerWaalsContact CA-CE1 3.44Å; P247-Y250 HydrophobicContact CB-CE1 4.41Å; P247-Y250 PolarHBondContact O-N 3Å; P247-Y250 VanDerWaalsContact O-N 3.12Å |
| 251 | K | 91.8 | Very high | 93.7 | Very high | 160 Ų | 160 | 63.2 Ų | 63.2 | 70% | 0.696 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.9 | -54.1 | -176.1 | -178 | -175.4 | 176.9 | -173.3 | 0 | 111.7 | P247 | P247-K251 PolarHBondContact O-N 3.32Š|
| 252 | D | 91.4 | Very high | 93.8 | Very high | 78 Ų | 78 | 63.9 Ų | 63.9 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -94.6 | 158.7 | -174.8 | -55.8 | -44.8 | 0 | 0 | 0 | 110.9 | P247 T248 | P247-D252 VanDerWaalsContact CB-OD2 3.25Å; P247-D252 WeakPolarHBondContact CB-OD2 3.23Å; P247-D252 PolarHBondContact O-N 3.38Å; T248-D252 CarbonylContact C-O 3.46Å; T248-D252 WeakPolarHBondContact CA-O 3.29Å; T248-D252 HydrophobicContact CG2-CB 4.14Å |
| 253 | P | 88.8 | Confident | 93.9 | Very high | 115 Ų | 115 | 65.8 Ų | 65.8 | 75% | 0.747 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 141.9 | 171.2 | -24 | 34.1 | 0 | 0 | 0 | 111.8 | T248 | T248-P253 WeakPolarHBondContact CG2-O 3.35Š|
| 254 | C | 92.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 139.8 | 179.6 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | T248 R249 L256 H258 L259 | T248-C254 WeakPolarHBondContact O-CA 3.26Å; R249-C254 PolarHBondContact NH1-SG 2.82Å; C254-L256 PolarHBondContact O-N 2.93Å; C254-H258 PolarHBondContact SG-CD2 3.17Å; C254-L259 HydrophobicContact CB-CD1 4.45Å; C254-L259 HydrophobicContact CB-CD2 3.85Å; C254-L259 HydrophobicContact CB-CG 4.01Å |
| 255 | E | 93.8 | Very high | 94.3 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 139.6 | 179.4 | -52.4 | 90.1 | 165.7 | 0 | 0 | 110.7 | T248 R249 V257 H258 L259 | T248-E255 VanDerWaalsContact CB-CD 3.48Å; T248-E255 VanDerWaalsContact CB-OE1 3.28Å; T248-E255 WeakPolarHBondContact CB-OE1 3.43Å; T248-E255 HydrophobicContact CG2-CG 4.08Å; T248-E255 VanDerWaalsContact CG2-OE1 3.22Å; T248-E255 WeakPolarHBondContact CG2-OE1 3.42Å; T248-E255 PolarHBondContact OG1-OE1 2.97Å; T248-E255 PolarHBondContact OG1-OE2 3.16Å; T248-E255 VanDerWaalsContact OG1-OE2 3.11Å; R249-E255 IonicContact CZ-OE2 3.89Å; R249-E255 IonicContact NH1-OE2 3.27Å; R249-E255 PolarHBondContact NH1-OE2 3.18Å; R249-E255 IonicContact NH2-OE2 3.73Å; R249-E255 PolarHBondContact NH2-OE2 3.02Å; E255-V257 PolarHBondContact O-N 3.21Å; E255-V257 VanDerWaalsContact O-N 3.13Å; E255-H258 WeakPolarHBondContact O-CA 3.37Å; E255-H258 WeakPolarHBondContact O-CB 3.46Å; E255-H258 PolarHBondContact O-N 3.01Å; E255-L259 PolarHBondContact O-N 2.88Å |
| 256 | L | 94.4 | Very high | 94.4 | Very high | 131 Ų | 131 | 63.6 Ų | 63.6 | 69% | 0.686 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -52.5 | -40.2 | 177.8 | -179.8 | 61.4 | 0 | 0 | 0 | 112 | C254 H258 L259 C260 | C254-L256 PolarHBondContact O-N 2.93Å; L256-H258 VanDerWaalsContact C-N 3.28Å; L256-H258 PolarHBondContact O-N 3.45Å; L256-L259 PolarHBondContact O-N 3.25Å; L256-C260 WeakPolarHBondContact O-CB 3.32Å; L256-C260 PolarHBondContact O-N 3.5Å; L256-C260 PolarHBondContact O-SG 3.06Å |
| 257 | V | 93.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | E255 R261 F290 | E255-V257 PolarHBondContact O-N 3.21Å; E255-V257 VanDerWaalsContact O-N 3.13Å; V257-R261 PolarHBondContact O-N 3.49Å; V257-R261 VanDerWaalsContact O-N 3.08Å; V257-F290 HydrophobicContact CG1-CE1 3.93Å; V257-F290 HydrophobicContact CG1-CE2 4.19Å; V257-F290 HydrophobicContact CG1-CZ 3.54Å |
| 258 | H | 94.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.028 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.1 | -38.2 | 177.1 | -172.3 | 87.2 | 0 | 0 | 0 | 112.3 | S215 R216 L218 R249 C254 E255 L256 C260 R261 I262 | S215-H258 PolarHBondContact O-CE1 3.46Å; S215-H258 VanDerWaalsContact O-CE1 3.23Å; R216-H258 VanDerWaalsContact C-CE1 3.46Å; R216-H258 PolarHBondContact O-CE1 3.41Å; L218-H258 PolarHBondContact O-NE2 2.87Å; R249-H258 VanDerWaalsContact CZ-CG 3.49Å; R249-H258 PolarHBondContact NE-CE1 3.45Å; R249-H258 PolarHBondContact NE-NE2 2.9Å; R249-H258 VanDerWaalsContact NE-NE2 3.12Å; R249-H258 VanDerWaalsContact NH2-CB 3.27Å; R249-H258 PolarHBondContact NH2-CD2 3.4Å; R249-H258 VanDerWaalsContact NH2-CD2 3.31Å; R249-H258 PolarHBondContact NH2-CE1 2.96Å; R249-H258 VanDerWaalsContact NH2-CE1 3.35Å; R249-H258 PolarHBondContact NH2-ND1 2.97Å; C254-H258 PolarHBondContact SG-CD2 3.17Å; E255-H258 WeakPolarHBondContact O-CA 3.37Å; E255-H258 WeakPolarHBondContact O-CB 3.46Å; E255-H258 PolarHBondContact O-N 3.01Å; L256-H258 VanDerWaalsContact C-N 3.28Å; L256-H258 PolarHBondContact O-N 3.45Å; H258-C260 VanDerWaalsContact C-N 3.29Å; H258-C260 PolarHBondContact O-N 3.48Å; H258-R261 VanDerWaalsContact O-CB 3.3Å; H258-R261 WeakPolarHBondContact O-CB 3.42Å; H258-R261 PolarHBondContact O-N 3.13Å; H258-R261 VanDerWaalsContact O-N 3.12Å; H258-I262 VanDerWaalsContact CD2-CD1 3.45Å; H258-I262 WeakPolarHBondContact CD2-CD1 3.48Å; H258-I262 VanDerWaalsContact NE2-CD1 3.32Å; H258-I262 WeakPolarHBondContact NE2-CD1 3.36Å; H258-I262 WeakPolarHBondContact O-CG1 2.99Å; H258-I262 PolarHBondContact O-N 3.31Å |
| 259 | L | 95.3 | Very high | 94.6 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 171.4 | -67.7 | 176.5 | 0 | 0 | 0 | 110.6 | C254 E255 L256 R261 I262 T263 | C254-L259 HydrophobicContact CB-CD1 4.45Å; C254-L259 HydrophobicContact CB-CD2 3.85Å; C254-L259 HydrophobicContact CB-CG 4.01Å; E255-L259 PolarHBondContact O-N 2.88Å; L256-L259 PolarHBondContact O-N 3.25Å; L259-R261 PolarHBondContact O-N 2.89Å; L259-I262 PolarHBondContact O-N 2.76Å; L259-T263 WeakPolarHBondContact O-CB 3.12Å; L259-T263 PolarHBondContact O-N 3.33Å; L259-T263 PolarHBondContact O-OG1 2.85Å |
| 260 | C | 95.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 67 Ų | 67 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.4 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | L256 H258 I262 T263 I264 | L256-C260 WeakPolarHBondContact O-CB 3.32Å; L256-C260 PolarHBondContact O-N 3.5Å; L256-C260 PolarHBondContact O-SG 3.06Å; H258-C260 VanDerWaalsContact C-N 3.29Å; H258-C260 PolarHBondContact O-N 3.48Å; C260-I262 PolarHBondContact O-N 3.19Å; C260-T263 PolarHBondContact O-N 3.4Å; C260-I264 WeakPolarHBondContact O-CB 3.18Å; C260-I264 VanDerWaalsContact O-CG1 3.25Å; C260-I264 WeakPolarHBondContact O-CG1 3.28Å; C260-I264 PolarHBondContact O-N 3.31Å |
| 261 | R | 96.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 5% | 0.045 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.7 | -53.1 | 174.2 | -177.9 | -171.6 | -87.3 | 167.6 | -12.8 | 110.8 | R216 V257 H258 L259 I264 R265 F290 L291 | R216-R261 VanDerWaalsContact O-CD 3.27Å; R216-R261 WeakPolarHBondContact O-CD 3.44Å; R216-R261 PolarHBondContact O-NH1 2.63Å; V257-R261 PolarHBondContact O-N 3.49Å; V257-R261 VanDerWaalsContact O-N 3.08Å; H258-R261 VanDerWaalsContact O-CB 3.3Å; H258-R261 WeakPolarHBondContact O-CB 3.42Å; H258-R261 PolarHBondContact O-N 3.13Å; H258-R261 VanDerWaalsContact O-N 3.12Å; L259-R261 PolarHBondContact O-N 2.89Å; R261-I264 PolarHBondContact O-N 2.91Å; R261-R265 HydrophobicContact CG-CG 4.38Å; R261-R265 VanDerWaalsContact O-CB 3.31Å; R261-R265 WeakPolarHBondContact O-CB 3.28Å; R261-R265 VanDerWaalsContact O-CG 3.27Å; R261-R265 WeakPolarHBondContact O-CG 3.3Å; R261-R265 PolarHBondContact O-N 3.03Å; R261-F290 HydrophobicContact CB-CE1 3.7Å; R261-F290 HydrophobicContact CB-CZ 4.18Å; R261-F290 HydrophobicContact CG-CE1 4.08Å; R261-F290 VanDerWaalsContact CZ-O 3.25Å; R261-F290 VanDerWaalsContact NE-CE1 3.34Å; R261-F290 VanDerWaalsContact NE-CZ 3.28Å; R261-F290 PolarHBondContact NE-O 3Å; R261-F290 PolarHBondContact NH2-O 3.06Å; R261-L291 HydrophobicContact CB-CD2 4.35Å; R261-L291 HydrophobicContact CG-CD2 4.09Å |
| 262 | I | 95.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.185 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | -177.6 | -69.2 | -179.5 | 0 | 0 | 0 | 110.1 | S219 H258 L259 C260 I264 R265 T266 | S219-I262 VanDerWaalsContact CA-CD1 3.48Å; H258-I262 VanDerWaalsContact CD2-CD1 3.45Å; H258-I262 WeakPolarHBondContact CD2-CD1 3.48Å; H258-I262 VanDerWaalsContact NE2-CD1 3.32Å; H258-I262 WeakPolarHBondContact NE2-CD1 3.36Å; H258-I262 WeakPolarHBondContact O-CG1 2.99Å; H258-I262 PolarHBondContact O-N 3.31Å; L259-I262 PolarHBondContact O-N 2.76Å; C260-I262 PolarHBondContact O-N 3.19Å; I262-I264 PolarHBondContact O-N 2.93Å; I262-R265 PolarHBondContact O-N 3.06Å; I262-T266 VanDerWaalsContact O-CB 3.23Å; I262-T266 WeakPolarHBondContact O-CB 3.46Å; I262-T266 PolarHBondContact O-N 3.08Å; I262-T266 PolarHBondContact O-OG1 3.3Å |
| 263 | T | 96.5 | Very high | 94.6 | Very high | 97 Ų | 97 | 61 Ų | 61 | 60% | 0.595 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.5 | -47.9 | -179.2 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | L259 C260 T266 Q267 | L259-T263 WeakPolarHBondContact O-CB 3.12Å; L259-T263 PolarHBondContact O-N 3.33Å; L259-T263 PolarHBondContact O-OG1 2.85Å; C260-T263 PolarHBondContact O-N 3.4Å; T263-T266 PolarHBondContact O-N 3.44Å; T263-Q267 PolarHBondContact O-N 3.23Å |
| 264 | I | 97.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 56 Ų | 56 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 178.6 | -66.6 | 166.1 | 0 | 0 | 0 | 110.5 | C260 R261 I262 T266 Q267 L268 L281 L291 | C260-I264 WeakPolarHBondContact O-CB 3.18Å; C260-I264 VanDerWaalsContact O-CG1 3.25Å; C260-I264 WeakPolarHBondContact O-CG1 3.28Å; C260-I264 PolarHBondContact O-N 3.31Å; R261-I264 PolarHBondContact O-N 2.91Å; I262-I264 PolarHBondContact O-N 2.93Å; I264-T266 VanDerWaalsContact C-N 3.33Å; I264-T266 PolarHBondContact O-N 3.15Å; I264-Q267 PolarHBondContact O-N 3.2Å; I264-L268 HydrophobicContact CG2-CD1 4.2Å; I264-L268 WeakPolarHBondContact O-CG 3.35Å; I264-L268 PolarHBondContact O-N 3.25Å; I264-L281 HydrophobicContact CG2-CD1 3.94Å; I264-L291 HydrophobicContact CB-CD2 4.03Å; I264-L291 HydrophobicContact CD1-CD2 4.24Å; I264-L291 HydrophobicContact CG2-CD1 3.95Å; I264-L291 HydrophobicContact CG2-CD2 3.98Å |
| 265 | R | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.011 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -41.8 | 178.6 | -74.3 | 177.1 | 62.5 | 77 | 6.1 | 111.9 | L167 E173 R261 I262 Q267 L268 L269 L274 L291 | L167-R265 PolarHBondContact O-NH2 3.02Å; E173-R265 IonicContact OE1-CZ 3.16Å; E173-R265 VanDerWaalsContact OE1-CZ 3.27Å; E173-R265 IonicContact OE1-NE 3.33Å; E173-R265 PolarHBondContact OE1-NE 2.67Å; E173-R265 IonicContact OE1-NH2 2.75Å; E173-R265 PolarHBondContact OE1-NH2 3.35Å; E173-R265 IonicContact OE2-NH2 2.92Å; R261-R265 HydrophobicContact CG-CG 4.38Å; R261-R265 VanDerWaalsContact O-CB 3.31Å; R261-R265 WeakPolarHBondContact O-CB 3.28Å; R261-R265 VanDerWaalsContact O-CG 3.27Å; R261-R265 WeakPolarHBondContact O-CG 3.3Å; R261-R265 PolarHBondContact O-N 3.03Å; I262-R265 PolarHBondContact O-N 3.06Å; R265-Q267 VanDerWaalsContact C-N 3.32Å; R265-Q267 PolarHBondContact O-N 3.07Å; R265-L268 PolarHBondContact O-N 2.82Å; R265-L269 WeakPolarHBondContact O-CB 3.27Å; R265-L269 PolarHBondContact O-N 3.35Å; R265-L274 HydrophobicContact CB-CD1 4.27Å; R265-L291 WeakPolarHBondContact CD-O 3.24Å; R265-L291 HydrophobicContact CG-CD2 4.42Å; R265-L291 PolarHBondContact NH1-O 3.35Å |
| 266 | T | 95.9 | Very high | 95 | Very high | 72 Ų | 72 | 54.9 Ų | 54.9 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 111 | I262 T263 I264 L269 A270 | I262-T266 VanDerWaalsContact O-CB 3.23Å; I262-T266 WeakPolarHBondContact O-CB 3.46Å; I262-T266 PolarHBondContact O-N 3.08Å; I262-T266 PolarHBondContact O-OG1 3.3Å; T263-T266 PolarHBondContact O-N 3.44Å; I264-T266 VanDerWaalsContact C-N 3.33Å; I264-T266 PolarHBondContact O-N 3.15Å; T266-L269 WeakPolarHBondContact O-CB 3.25Å; T266-L269 PolarHBondContact O-N 2.91Å; T266-A270 WeakPolarHBondContact O-CB 3.43Å; T266-A270 PolarHBondContact O-N 3.26Å |
| 267 | Q | 96.4 | Very high | 95.1 | Very high | 121 Ų | 121 | 49 Ų | 49 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.3 | -43.9 | 176.3 | -174.3 | 62.2 | 16.7 | 0 | 0 | 111.8 | T263 I264 R265 L269 N271 | T263-Q267 PolarHBondContact O-N 3.23Å; I264-Q267 PolarHBondContact O-N 3.2Å; R265-Q267 VanDerWaalsContact C-N 3.32Å; R265-Q267 PolarHBondContact O-N 3.07Å; Q267-L269 VanDerWaalsContact C-N 3.33Å; Q267-L269 PolarHBondContact O-N 2.86Å; Q267-N271 PolarHBondContact NE2-ND2 2.92Å; Q267-N271 PolarHBondContact O-N 3.12Å; Q267-N271 PolarHBondContact O-ND2 3.22Å |
| 268 | L | 96.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.3 | -66.7 | 176.5 | 0 | 0 | 0 | 111.5 | I264 R265 N271 N272 M273 L274 I278 L281 | I264-L268 HydrophobicContact CG2-CD1 4.2Å; I264-L268 WeakPolarHBondContact O-CG 3.35Å; I264-L268 PolarHBondContact O-N 3.25Å; R265-L268 PolarHBondContact O-N 2.82Å; L268-N271 CarbonylContact O-C 3.59Å; L268-N271 PolarHBondContact O-N 3.19Å; L268-N272 PolarHBondContact O-N 3.16Å; L268-M273 HydrophobicContact CB-CB 4.31Å; L268-M273 HydrophobicContact CD2-CB 4.14Å; L268-M273 HydrophobicContact CD2-CE 3.56Å; L268-M273 PolarHBondContact O-N 3.04Å; L268-L274 HydrophobicContact CB-CD2 3.65Å; L268-L274 HydrophobicContact CB-CG 3.8Å; L268-L274 HydrophobicContact CD1-CD2 3.68Å; L268-L274 HydrophobicContact CG-CD2 4.34Å; L268-I278 HydrophobicContact CD1-CB 4.36Å; L268-I278 HydrophobicContact CD1-CG1 3.47Å; L268-I278 VanDerWaalsContact CD1-CG1 3.47Å; L268-L281 HydrophobicContact CD1-CD1 4.29Å; L268-L281 HydrophobicContact CD2-CD2 4.5Å |
| 269 | L | 94.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 179.3 | -174.8 | 66.5 | 0 | 0 | 0 | 112.1 | Q123 E173 R174 R265 T266 Q267 N271 N272 L274 | Q123-L269 PolarHBondContact NE2-O 2.9Å; Q123-L269 VanDerWaalsContact NE2-O 3.15Å; E173-L269 HydrophobicContact CB-CD2 3.61Å; R174-L269 HydrophobicContact CG-CD1 4.21Å; R174-L269 HydrophobicContact CG-CD2 4.05Å; R174-L269 HydrophobicContact CG-CG 4.41Å; R174-L269 VanDerWaalsContact NE-CD1 3.28Å; R174-L269 PolarHBondContact NH2-O 3.36Å; R265-L269 WeakPolarHBondContact O-CB 3.27Å; R265-L269 PolarHBondContact O-N 3.35Å; T266-L269 WeakPolarHBondContact O-CB 3.25Å; T266-L269 PolarHBondContact O-N 2.91Å; Q267-L269 VanDerWaalsContact C-N 3.33Å; Q267-L269 PolarHBondContact O-N 2.86Å; L269-N271 PolarHBondContact O-N 3.48Å; L269-N272 PolarHBondContact O-N 2.91Å; L269-L274 HydrophobicContact CB-CD1 3.97Å; L269-L274 HydrophobicContact CB-CG 4.47Å; L269-L274 HydrophobicContact CD1-CD1 4.13Å |
| 270 | A | 93 | Very high | 95.2 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 55% | 0.554 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.1 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | T266 | T266-A270 WeakPolarHBondContact O-CB 3.43Å; T266-A270 PolarHBondContact O-N 3.26Å |
| 271 | N | 92.3 | Very high | 95.2 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.3 | 178.2 | -64.7 | -67.7 | 0 | 0 | 0 | 113.9 | Q267 L268 L269 M273 | Q267-N271 PolarHBondContact NE2-ND2 2.92Å; Q267-N271 PolarHBondContact O-N 3.12Å; Q267-N271 PolarHBondContact O-ND2 3.22Å; L268-N271 CarbonylContact O-C 3.59Å; L268-N271 PolarHBondContact O-N 3.19Å; L269-N271 PolarHBondContact O-N 3.48Å; N271-M273 HydrophobicContact CB-CE 3.69Å; N271-M273 HydrophobicContact CB-CG 3.88Å; N271-M273 HydrophobicContact CB-SD 4.38Å; N271-M273 WeakPolarHBondContact O-CG 3.3Å; N271-M273 PolarHBondContact O-N 3.04Å |
| 272 | N | 91.4 | Very high | 95.1 | Very high | 31 Ų | 31 | 57 Ų | 57 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.1 | -176.5 | -155.2 | 43.6 | 0 | 0 | 0 | 114.8 | K119 D120 L268 L269 | K119-N272 PolarHBondContact O-ND2 3.39Å; K119-N272 PolarHBondContact O-OD1 2.77Å; D120-N272 WeakPolarHBondContact CA-ND2 3.39Å; D120-N272 PolarHBondContact OD1-ND2 3.47Å; D120-N272 VanDerWaalsContact OD1-ND2 3.15Å; L268-N272 PolarHBondContact O-N 3.16Å; L269-N272 PolarHBondContact O-N 2.91Å |
| 273 | M | 94.5 | Very high | 95.1 | Very high | 78 Ų | 78 | 57.9 Ų | 57.9 | 38% | 0.384 | 32% | 0.321 | S | S | . | . | trans | -97.2 | -11.5 | -175.3 | -64.5 | -161.4 | -75.5 | 0 | 0 | 113.4 | L268 N271 P275 N276 G277 | L268-M273 HydrophobicContact CB-CB 4.31Å; L268-M273 HydrophobicContact CD2-CB 4.14Å; L268-M273 HydrophobicContact CD2-CE 3.56Å; L268-M273 PolarHBondContact O-N 3.04Å; N271-M273 HydrophobicContact CB-CE 3.69Å; N271-M273 HydrophobicContact CB-CG 3.88Å; N271-M273 HydrophobicContact CB-SD 4.38Å; N271-M273 WeakPolarHBondContact O-CG 3.3Å; N271-M273 PolarHBondContact O-N 3.04Å; M273-P275 CarbonylContact O-C 3.48Å; M273-N276 PolarHBondContact O-N 3.03Å; M273-G277 WeakPolarHBondContact O-CA 3.09Å; M273-G277 PolarHBondContact O-N 3.03Å | ||
| 274 | L | 95.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 144.6 | 177.6 | -72.3 | -174.4 | 0 | 0 | 0 | 112.9 | R265 L268 L269 I278 | R265-L274 HydrophobicContact CB-CD1 4.27Å; L268-L274 HydrophobicContact CB-CD2 3.65Å; L268-L274 HydrophobicContact CB-CG 3.8Å; L268-L274 HydrophobicContact CD1-CD2 3.68Å; L268-L274 HydrophobicContact CG-CD2 4.34Å; L269-L274 HydrophobicContact CB-CD1 3.97Å; L269-L274 HydrophobicContact CB-CG 4.47Å; L269-L274 HydrophobicContact CD1-CD1 4.13Å; L274-I278 HydrophobicContact CD2-CD1 3.6Å; L274-I278 HydrophobicContact CD2-CG1 3.66Å |
| 275 | P | 95.4 | Very high | 95 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -81.1 | -22 | -10.8 | 31.3 | -33.4 | 0 | 0 | 0 | 113.3 | Q168 Y169 M273 G277 I278 N292 | Q168-P275 HydrophobicContact CB-CB 4.28Å; Y169-P275 HydrophobicContact CD2-CG 4.18Å; Y169-P275 HydrophobicContact CE2-CG 3.89Å; M273-P275 CarbonylContact O-C 3.48Å; P275-G277 VanDerWaalsContact C-N 3.28Å; P275-G277 PolarHBondContact O-N 3.48Å; P275-G277 VanDerWaalsContact O-N 3.11Å; P275-I278 VanDerWaalsContact O-CB 3.25Å; P275-I278 WeakPolarHBondContact O-CB 3.43Å; P275-I278 WeakPolarHBondContact O-CG1 3.31Å; P275-I278 PolarHBondContact O-N 2.96Å; P275-N292 WeakPolarHBondContact CB-OD1 3.46Å |
| 276 | N | 94.1 | Very high | 94.8 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.9 | -36.3 | -166.7 | -65.4 | -17 | 0 | 0 | 0 | 114.9 | M273 I278 F279 | M273-N276 PolarHBondContact O-N 3.03Å; N276-I278 PolarHBondContact O-N 3.48Å; N276-F279 PolarHBondContact O-N 3.26Å |
| 277 | G | 94.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.3 | -14.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M273 P275 F279 S280 L281 | M273-G277 WeakPolarHBondContact O-CA 3.09Å; M273-G277 PolarHBondContact O-N 3.03Å; P275-G277 VanDerWaalsContact C-N 3.28Å; P275-G277 PolarHBondContact O-N 3.48Å; P275-G277 VanDerWaalsContact O-N 3.11Å; G277-F279 VanDerWaalsContact C-N 3.3Å; G277-S280 WeakPolarHBondContact CA-OG 3.27Å; G277-S280 PolarHBondContact O-N 2.97Å; G277-S280 PolarHBondContact O-OG 2.91Å; G277-L281 WeakPolarHBondContact O-CG 3.43Å |
| 278 | I | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 168.1 | -65 | 171.3 | 0 | 0 | 0 | 109.6 | L268 L274 P275 N276 S280 L281 Q288 L291 N292 | L268-I278 HydrophobicContact CD1-CB 4.36Å; L268-I278 HydrophobicContact CD1-CG1 3.47Å; L268-I278 VanDerWaalsContact CD1-CG1 3.47Å; L274-I278 HydrophobicContact CD2-CD1 3.6Å; L274-I278 HydrophobicContact CD2-CG1 3.66Å; P275-I278 VanDerWaalsContact O-CB 3.25Å; P275-I278 WeakPolarHBondContact O-CB 3.43Å; P275-I278 WeakPolarHBondContact O-CG1 3.31Å; P275-I278 PolarHBondContact O-N 2.96Å; N276-I278 PolarHBondContact O-N 3.48Å; I278-S280 VanDerWaalsContact C-N 3.26Å; I278-S280 PolarHBondContact O-N 3.1Å; I278-L281 VanDerWaalsContact O-CB 3.31Å; I278-L281 WeakPolarHBondContact O-CB 3.44Å; I278-L281 WeakPolarHBondContact O-CG 3.41Å; I278-L281 PolarHBondContact O-N 3.06Å; I278-L281 VanDerWaalsContact O-N 3.16Å; I278-Q288 HydrophobicContact CG2-CB 3.93Å; I278-Q288 HydrophobicContact CG2-CG 4.36Å; I278-Q288 WeakPolarHBondContact CG2-O 3.3Å; I278-L291 HydrophobicContact CD1-CB 4.02Å; I278-L291 HydrophobicContact CG1-CB 4.28Å; I278-L291 HydrophobicContact CG2-CB 3.77Å; I278-L291 HydrophobicContact CG2-CD1 4.13Å; I278-N292 HydrophobicContact CD1-CB 3.98Å |
| 279 | F | 95.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 66.6 Ų | 66.6 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -76.8 | -13.8 | -176.6 | -57.9 | -72.8 | 0 | 0 | 0 | 113.1 | N276 G277 Q288 N292 | N276-F279 PolarHBondContact O-N 3.26Å; G277-F279 VanDerWaalsContact C-N 3.3Å; F279-Q288 HydrophobicContact CD1-CB 4.29Å; F279-Q288 HydrophobicContact CE1-CB 4.44Å; F279-Q288 PolarHBondContact O-NE2 3.04Å; F279-N292 HydrophobicContact CZ-CB 4.2Å |
| 280 | S | 95.4 | Very high | 94.8 | Very high | 84 Ų | 84 | 68.1 Ų | 68.1 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.3 | 169.7 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | G277 I278 | G277-S280 WeakPolarHBondContact CA-OG 3.27Å; G277-S280 PolarHBondContact O-N 2.97Å; G277-S280 PolarHBondContact O-OG 2.91Å; I278-S280 VanDerWaalsContact C-N 3.26Å; I278-S280 PolarHBondContact O-N 3.1Å |
| 281 | L | 94.1 | Very high | 95 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -72.2 | 133.3 | 174 | -61.1 | 177.6 | 0 | 0 | 0 | 110.1 | I264 L268 G277 I278 I283 Q288 L291 | I264-L281 HydrophobicContact CG2-CD1 3.94Å; L268-L281 HydrophobicContact CD1-CD1 4.29Å; L268-L281 HydrophobicContact CD2-CD2 4.5Å; G277-L281 WeakPolarHBondContact O-CG 3.43Å; I278-L281 VanDerWaalsContact O-CB 3.31Å; I278-L281 WeakPolarHBondContact O-CB 3.44Å; I278-L281 WeakPolarHBondContact O-CG 3.41Å; I278-L281 PolarHBondContact O-N 3.06Å; I278-L281 VanDerWaalsContact O-N 3.16Å; L281-I283 HydrophobicContact CB-CD1 3.88Å; L281-I283 HydrophobicContact CB-CG1 3.81Å; L281-I283 HydrophobicContact CB-CG2 4.42Å; L281-I283 HydrophobicContact CD1-CD1 3.8Å; L281-I283 PolarHBondContact O-N 2.92Å; L281-Q288 PolarHBondContact O-NE2 3.44Å; L281-L291 HydrophobicContact CD1-CD1 3.85Å |
| 282 | L | 95.1 | Very high | 95.2 | Very high | 183 Ų | 183 | 61.4 Ų | 61.4 | 96% | 0.958 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75.9 | 57.4 | 175 | -59.2 | 177.9 | 0 | 0 | 0 | 111.5 | ||
| 283 | I | 94.4 | Very high | 95.3 | Very high | 55 Ų | 55 | 60 Ų | 60 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -127.6 | 157.7 | 179.8 | 64.6 | -178.5 | 0 | 0 | 0 | 109.9 | L281 L287 Q288 L291 | L281-I283 HydrophobicContact CB-CD1 3.88Å; L281-I283 HydrophobicContact CB-CG1 3.81Å; L281-I283 HydrophobicContact CB-CG2 4.42Å; L281-I283 HydrophobicContact CD1-CD1 3.8Å; L281-I283 PolarHBondContact O-N 2.92Å; I283-L287 HydrophobicContact CD1-CB 3.94Å; I283-L287 HydrophobicContact CG1-CB 4.28Å; I283-Q288 HydrophobicContact CD1-CG 4.14Å; I283-Q288 HydrophobicContact CG1-CG 3.71Å; I283-Q288 PolarHBondContact O-NE2 2.56Å; I283-L291 HydrophobicContact CD1-CD1 3.54Å |
| 284 | P | 96.3 | Very high | 95 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 57% | 0.571 | 32% | 0.316 | S | S | * | . | trans | -55.4 | 144.6 | 177.5 | -27.6 | 34.7 | 0 | 0 | 0 | 113.7 | R286 L287 Q288 | P284-R286 PolarHBondContact O-N 3.02Å; P284-R286 VanDerWaalsContact O-N 3.08Å; P284-L287 WeakPolarHBondContact O-CA 3.36Å; P284-L287 WeakPolarHBondContact O-CB 3.29Å; P284-L287 PolarHBondContact O-N 3.21Å; P284-Q288 PolarHBondContact O-N 3.06Å; P284-Q288 VanDerWaalsContact O-N 3.11Å | ||
| 285 | A | 95.1 | Very high | 93.4 | Very high | 60 Ų | 60 | 64 Ų | 64 | 50% | 0.496 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.7 | -33.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | L287 Q288 N289 | A285-L287 VanDerWaalsContact C-N 3.32Å; A285-L287 PolarHBondContact O-N 2.86Å; A285-Q288 WeakPolarHBondContact O-CB 3.48Å; A285-Q288 PolarHBondContact O-N 3.43Å; A285-N289 WeakPolarHBondContact O-CB 3.5Å; A285-N289 VanDerWaalsContact O-CG 3.28Å; A285-N289 PolarHBondContact O-N 3.3Å |
| 286 | R | 94.4 | Very high | 93.3 | Very high | 216 Ų | 216 | 67 Ų | 67 | 82% | 0.815 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 174.6 | -172 | 177.5 | -179.4 | -179.5 | 0.4 | 112.5 | P284 F290 | P284-R286 PolarHBondContact O-N 3.02Å; P284-R286 VanDerWaalsContact O-N 3.08Å; R286-F290 WeakPolarHBondContact O-CB 3.34Å; R286-F290 PolarHBondContact O-N 3.49Å |
| 287 | L | 94.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73.7 | -35.8 | 175.4 | -66.1 | -176.4 | 0 | 0 | 0 | 111.4 | I283 P284 A285 F290 L291 | I283-L287 HydrophobicContact CD1-CB 3.94Å; I283-L287 HydrophobicContact CG1-CB 4.28Å; P284-L287 WeakPolarHBondContact O-CA 3.36Å; P284-L287 WeakPolarHBondContact O-CB 3.29Å; P284-L287 PolarHBondContact O-N 3.21Å; A285-L287 VanDerWaalsContact C-N 3.32Å; A285-L287 PolarHBondContact O-N 2.86Å; L287-F290 PolarHBondContact O-N 3.01Å; L287-L291 WeakPolarHBondContact O-CB 3.21Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.49Å |
| 288 | Q | 96.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 69.6 Ų | 69.6 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 172.3 | -62.2 | 178.8 | -19.3 | 0 | 0 | 110.9 | I278 F279 L281 I283 P284 A285 F290 L291 N292 | I278-Q288 HydrophobicContact CG2-CB 3.93Å; I278-Q288 HydrophobicContact CG2-CG 4.36Å; I278-Q288 WeakPolarHBondContact CG2-O 3.3Å; F279-Q288 HydrophobicContact CD1-CB 4.29Å; F279-Q288 HydrophobicContact CE1-CB 4.44Å; F279-Q288 PolarHBondContact O-NE2 3.04Å; L281-Q288 PolarHBondContact O-NE2 3.44Å; I283-Q288 HydrophobicContact CD1-CG 4.14Å; I283-Q288 HydrophobicContact CG1-CG 3.71Å; I283-Q288 PolarHBondContact O-NE2 2.56Å; P284-Q288 PolarHBondContact O-N 3.06Å; P284-Q288 VanDerWaalsContact O-N 3.11Å; A285-Q288 WeakPolarHBondContact O-CB 3.48Å; A285-Q288 PolarHBondContact O-N 3.43Å; Q288-F290 VanDerWaalsContact C-N 3.34Å; Q288-F290 PolarHBondContact O-N 3.07Å; Q288-L291 PolarHBondContact O-N 3.2Å; Q288-N292 VanDerWaalsContact O-CB 3.31Å; Q288-N292 WeakPolarHBondContact O-CB 3.3Å; Q288-N292 PolarHBondContact O-N 3.25Å |
| 289 | N | 95.8 | Very high | 93 | Very high | 65 Ų | 65 | 73.7 Ų | 73.7 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.6 | -71.1 | -9.2 | 0 | 0 | 0 | 112.3 | A285 N292 L293 E294 | A285-N289 WeakPolarHBondContact O-CB 3.5Å; A285-N289 VanDerWaalsContact O-CG 3.28Å; A285-N289 PolarHBondContact O-N 3.3Å; N289-N292 CarbonylContact O-C 3.44Å; N289-N292 PolarHBondContact O-N 2.62Å; N289-L293 PolarHBondContact O-N 3.44Å; N289-E294 HydrophobicContact CB-CB 3.95Å; N289-E294 PolarHBondContact O-N 3.07Å |
| 290 | F | 95.6 | Very high | 92.8 | Very high | 48 Ų | 48 | 72.3 Ų | 72.3 | 21% | 0.211 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.3 | 172.7 | -95.6 | 0 | 0 | 0 | 112.4 | V257 R261 R286 L287 Q288 S295 | V257-F290 HydrophobicContact CG1-CE1 3.93Å; V257-F290 HydrophobicContact CG1-CE2 4.19Å; V257-F290 HydrophobicContact CG1-CZ 3.54Å; R261-F290 HydrophobicContact CB-CE1 3.7Å; R261-F290 HydrophobicContact CB-CZ 4.18Å; R261-F290 HydrophobicContact CG-CE1 4.08Å; R261-F290 VanDerWaalsContact CZ-O 3.25Å; R261-F290 VanDerWaalsContact NE-CE1 3.34Å; R261-F290 VanDerWaalsContact NE-CZ 3.28Å; R261-F290 PolarHBondContact NE-O 3Å; R261-F290 PolarHBondContact NH2-O 3.06Å; R286-F290 WeakPolarHBondContact O-CB 3.34Å; R286-F290 PolarHBondContact O-N 3.49Å; L287-F290 PolarHBondContact O-N 3.01Å; Q288-F290 VanDerWaalsContact C-N 3.34Å; Q288-F290 PolarHBondContact O-N 3.07Å; F290-S295 WeakPolarHBondContact CA-OG 3.38Å |
| 291 | L | 96.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.1 | -34.2 | 174.4 | -69.5 | 169.9 | 0 | 0 | 0 | 111.8 | R261 I264 R265 I278 L281 I283 L287 Q288 L293 | R261-L291 HydrophobicContact CB-CD2 4.35Å; R261-L291 HydrophobicContact CG-CD2 4.09Å; I264-L291 HydrophobicContact CB-CD2 4.03Å; I264-L291 HydrophobicContact CD1-CD2 4.24Å; I264-L291 HydrophobicContact CG2-CD1 3.95Å; I264-L291 HydrophobicContact CG2-CD2 3.98Å; R265-L291 WeakPolarHBondContact CD-O 3.24Å; R265-L291 HydrophobicContact CG-CD2 4.42Å; R265-L291 PolarHBondContact NH1-O 3.35Å; I278-L291 HydrophobicContact CD1-CB 4.02Å; I278-L291 HydrophobicContact CG1-CB 4.28Å; I278-L291 HydrophobicContact CG2-CB 3.77Å; I278-L291 HydrophobicContact CG2-CD1 4.13Å; L281-L291 HydrophobicContact CD1-CD1 3.85Å; I283-L291 HydrophobicContact CD1-CD1 3.54Å; L287-L291 WeakPolarHBondContact O-CB 3.21Å; L287-L291 VanDerWaalsContact O-CG 3.25Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.49Å; Q288-L291 PolarHBondContact O-N 3.2Å; L291-L293 VanDerWaalsContact C-N 3.3Å; L291-L293 PolarHBondContact O-N 2.91Å |
| 292 | N | 96.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 72.9 Ų | 72.9 | 5% | 0.048 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 10.3 | -179.2 | -163.3 | 50.3 | 0 | 0 | 0 | 113.6 | Q168 P275 I278 F279 Q288 N289 E294 | Q168-N292 VanDerWaalsContact CG-O 3.25Å; Q168-N292 WeakPolarHBondContact CG-O 3.45Å; Q168-N292 PolarHBondContact NE2-ND2 2.99Å; Q168-N292 VanDerWaalsContact NE2-ND2 3.13Å; Q168-N292 PolarHBondContact NE2-O 3.05Å; P275-N292 WeakPolarHBondContact CB-OD1 3.46Å; I278-N292 HydrophobicContact CD1-CB 3.98Å; F279-N292 HydrophobicContact CZ-CB 4.2Å; Q288-N292 VanDerWaalsContact O-CB 3.31Å; Q288-N292 WeakPolarHBondContact O-CB 3.3Å; Q288-N292 PolarHBondContact O-N 3.25Å; N289-N292 CarbonylContact O-C 3.44Å; N289-N292 PolarHBondContact O-N 2.62Å; N292-E294 HydrophobicContact CB-CG 4.33Å; N292-E294 PolarHBondContact O-N 3.33Å |
| 293 | L | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 22.4 | 176.4 | -43 | 175.9 | 0 | 0 | 0 | 114.4 | K164 L167 Q168 R216 V217 N289 L291 | K164-L293 VanDerWaalsContact CE-O 3.3Å; K164-L293 WeakPolarHBondContact CE-O 3.39Å; L167-L293 HydrophobicContact CB-CD1 3.5Å; L167-L293 HydrophobicContact CD1-CD1 4.44Å; Q168-L293 HydrophobicContact CG-CD1 4.42Å; R216-L293 HydrophobicContact CB-CD2 3.98Å; V217-L293 HydrophobicContact CG2-CD1 3.72Å; V217-L293 HydrophobicContact CG2-CD2 4.11Å; N289-L293 PolarHBondContact O-N 3.44Å; L291-L293 VanDerWaalsContact C-N 3.3Å; L291-L293 PolarHBondContact O-N 2.91Å |
| 294 | E | 87.8 | Confident | 92.2 | Very high | 91 Ų | 91 | 65.2 Ų | 65.2 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | trans | -82.7 | -23.4 | 178.9 | -70.3 | -62.5 | 146.2 | 0 | 0 | 113.2 | K164 Q168 N289 N292 | K164-E294 VanDerWaalsContact CE-OE1 3.23Å; K164-E294 WeakPolarHBondContact CE-OE1 3.36Å; K164-E294 IonicContact NZ-OE1 2.93Å; K164-E294 PolarHBondContact NZ-OE1 2.86Å; K164-E294 VanDerWaalsContact NZ-OE1 3.16Å; K164-E294 IonicContact NZ-OE2 2.72Å; K164-E294 PolarHBondContact NZ-OE2 2.93Å; Q168-E294 PolarHBondContact NE2-OE1 2.99Å; N289-E294 HydrophobicContact CB-CB 3.95Å; N289-E294 PolarHBondContact O-N 3.07Å; N292-E294 HydrophobicContact CB-CG 4.33Å; N292-E294 PolarHBondContact O-N 3.33Å | ||
| 295 | S | 61.5 | Low | 91.8 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 56% | 0.559 | 32% | 0.322 | S | S | * | . | trans | -119 | 0 | -176.9 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | R216 F290 | R216-S295 VanDerWaalsContact CZ-OXT 3.24Å; R216-S295 PolarHBondContact NH1-O 3.18Å; R216-S295 PolarHBondContact NH1-OXT 3.32Å; R216-S295 PolarHBondContact NH2-OXT 3.42Å; F290-S295 WeakPolarHBondContact CA-OG 3.38Å |
Retrieved 295 of 295 residues in 278 ms
(Link to these results)