| 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 | 30.9 | Very low | 33.4 | Very low | 246 Ų | 246 | 162.9 Ų | 162.9 | 100% | 1.212 | 84% | 0.836 | S | S | * | * | 0 | 114.1 | 0 | -70.7 | 178.2 | 83.2 | 0 | 0 | 108.5 | |||||
| 2 | S | 29.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -74.4 | 122.6 | -177 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | K | 29.6 | Very low | 34.6 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -96.2 | 91.9 | 161.5 | -81.6 | -177.4 | 178.3 | 178.4 | 0 | 107.3 | T5 | K3-T5 PolarHBondContact O-N 3.09Š| ||
| 4 | S | 28.8 | Very low | 35.4 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -66.9 | 111.7 | 165.7 | 85.3 | 0 | 0 | 0 | 0 | 107.4 | K6 | S4-K6 PolarHBondContact O-N 3.21Å; S4-K6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | T | 31.8 | Very low | 36.4 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 102.8 | 172.4 | 18.5 | 0 | 0 | 0 | 0 | 107.2 | K3 L7 | K3-T5 PolarHBondContact O-N 3.09Å; T5-L7 PolarHBondContact O-N 3.06Å | ||
| 6 | K | 33.7 | Very low | 38.7 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -52.6 | 101.8 | 173.8 | -79.5 | 176.6 | 174.3 | 176.2 | 0 | 110 | S4 C8 | S4-K6 PolarHBondContact O-N 3.21Å; S4-K6 VanDerWaalsContact O-N 3.09Å; K6-C8 VanDerWaalsContact C-N 3.33Å; K6-C8 PolarHBondContact O-N 2.93Å | ||
| 7 | L | 37.7 | Very low | 41.6 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | -74.8 | 88.3 | 165.7 | -140.3 | 103.5 | 0 | 0 | 0 | 107.7 | T5 | T5-L7 PolarHBondContact O-N 3.06Š| ||
| 8 | C | 37.8 | Very low | 44.3 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 72% | 0.716 | 68% | 0.684 | S | S | * | * | trans | -150.5 | 102.7 | 171.2 | -157.1 | 0 | 0 | 0 | 0 | 111.5 | K6 | K6-C8 VanDerWaalsContact C-N 3.33Å; K6-C8 PolarHBondContact O-N 2.93Å | ||
| 9 | R | 32.9 | Very low | 46.8 | Very low | 231 Ų | 231 | 124.8 Ų | 124.8 | 87% | 0.872 | 65% | 0.648 | S | S | * | * | trans | -152.4 | 104 | 137.8 | -106.3 | 175.1 | -175.1 | -174.6 | 1 | 108.3 | T11 | R9-T11 VanDerWaalsContact C-N 3.33Å; R9-T11 PolarHBondContact O-N 2.99Å | ||
| 10 | K | 38.8 | Very low | 48.8 | Very low | 204 Ų | 204 | 119.3 Ų | 119.3 | 89% | 0.887 | 62% | 0.621 | S | S | * | * | trans | -66.9 | 89.1 | 169.1 | -79 | 175.7 | 175.7 | 172.3 | 0 | 108.7 | ||||
| 11 | T | 36.2 | Very low | 50.6 | Low | 90 Ų | 90 | 116.5 Ų | 116.5 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | trans | -93.4 | 99.1 | 151.6 | 43.4 | 0 | 0 | 0 | 0 | 105.9 | R9 C13 R80 | R9-T11 VanDerWaalsContact C-N 3.33Å; R9-T11 PolarHBondContact O-N 2.99Å; T11-C13 PolarHBondContact O-N 3.32Å; T11-R80 PolarHBondContact O-NE 3.48Å; T11-R80 PolarHBondContact O-NH2 3.03Å | ||
| 12 | S | 37.9 | Very low | 53.3 | Low | 106 Ų | 106 | 105.4 Ų | 105.4 | 74% | 0.741 | 55% | 0.552 | S | S | * | * | trans | -62.2 | 104.1 | -177.3 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | C | 44 | Very low | 55.9 | Low | 20 Ų | 20 | 99.8 Ų | 99.8 | 14% | 0.135 | 51% | 0.513 | C | S | . | . | trans | -54.6 | 139.8 | 151.8 | -163.8 | 0 | 0 | 0 | 0 | 106.8 | T11 R15 C20 R80 | T11-C13 PolarHBondContact O-N 3.32Å; C13-R15 PolarHBondContact O-N 2.99Å; C13-C20 HydrophobicContact CB-CB 3.91Å; C13-C20 WeakPolarHBondContact CB-SG 3.4Å; C13-C20 WeakPolarHBondContact SG-CB 3.47Å; C13-C20 CovalentContact SG-SG 2.06Å; C13-C20 PolarHBondContact SG-SG 3Å; C13-R80 VanDerWaalsContact N-NH2 3.12Å | ||
| 14 | P | 45.8 | Very low | 58.4 | Low | 64 Ų | 64 | 92.1 Ų | 92.1 | 42% | 0.416 | 48% | 0.481 | S | S | . | . | trans | -51.7 | 130.3 | 176.4 | -21.6 | 31.2 | 0 | 0 | 0 | 108.6 | S16 N17 | P14-S16 WeakPolarHBondContact CB-OG 3.33Å; P14-S16 PolarHBondContact O-N 3.38Å; P14-N17 PolarHBondContact O-N 3.29Å | ||
| 15 | R | 50.6 | Low | 61 | Low | 241 Ų | 241 | 94.9 Ų | 94.9 | 91% | 0.909 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -8.5 | 175.4 | -85.9 | 177.6 | 165.6 | 164.9 | -6.2 | 113 | C13 N21 | C13-R15 PolarHBondContact O-N 2.99Å; R15-N21 PolarHBondContact O-ND2 3.02Å; R15-N21 PolarHBondContact O-OD1 2.97Å |
| 16 | S | 73.4 | Confident | 63.2 | Low | 89 Ų | 89 | 88.7 Ų | 88.7 | 62% | 0.622 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -18.2 | 177.1 | 53.7 | 0 | 0 | 0 | 0 | 115.8 | P14 I18 | P14-S16 WeakPolarHBondContact CB-OG 3.33Å; P14-S16 PolarHBondContact O-N 3.38Å; S16-I18 PolarHBondContact O-N 3.33Å |
| 17 | N | 88.3 | Confident | 65.1 | Low | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.016 | 41% | 0.414 | C | S | . | . | trans | -74 | 125.4 | -172.3 | -179 | -80.2 | 0 | 0 | 0 | 112.5 | P14 F19 C20 N21 D69 | P14-N17 PolarHBondContact O-N 3.29Å; N17-F19 PolarHBondContact O-N 3.33Å; N17-F19 PolarHBondContact OD1-N 3.25Å; N17-C20 HydrophobicContact CB-CB 4.06Å; N17-C20 PolarHBondContact O-N 3.42Å; N17-C20 PolarHBondContact OD1-N 2.82Å; N17-N21 WeakPolarHBondContact O-CB 3.28Å; N17-N21 VanDerWaalsContact O-CG 3.29Å; N17-N21 PolarHBondContact O-N 3.24Å; N17-N21 PolarHBondContact O-ND2 3Å; N17-D69 WeakPolarHBondContact CA-OD2 3.49Å; N17-D69 VanDerWaalsContact ND2-CA 3.3Å; N17-D69 WeakPolarHBondContact ND2-CA 3.44Å; N17-D69 WeakPolarHBondContact ND2-CB 3.3Å; N17-D69 PolarHBondContact ND2-O 3.41Å; N17-D69 PolarHBondContact ND2-OD1 2.66Å | ||
| 18 | I | 90.1 | Very high | 66.6 | Low | 56 Ų | 56 | 81.1 Ų | 81.1 | 29% | 0.287 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | -174.1 | -65.2 | 169.8 | 0 | 0 | 0 | 111.9 | S16 N21 L22 I54 D69 | S16-I18 PolarHBondContact O-N 3.33Å; I18-N21 PolarHBondContact O-N 3.34Å; I18-L22 WeakPolarHBondContact O-CB 3.46Å; I18-L22 PolarHBondContact O-N 3.01Å; I18-I54 HydrophobicContact CG2-CD1 3.81Å; I18-D69 WeakPolarHBondContact CG1-OD2 3.47Å; I18-D69 PolarHBondContact N-OD2 3.06Å |
| 19 | F | 90.8 | Very high | 67.8 | Low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -74 | -42.3 | -176.6 | -62.6 | -86.5 | 0 | 0 | 0 | 112 | N17 N21 L22 L23 L51 L66 D69 Y70 F73 F89 C93 I97 | N17-F19 PolarHBondContact O-N 3.33Å; N17-F19 PolarHBondContact OD1-N 3.25Å; F19-N21 VanDerWaalsContact C-N 3.28Å; F19-N21 PolarHBondContact O-N 2.85Å; F19-L22 PolarHBondContact O-N 3.14Å; F19-L23 VanDerWaalsContact O-CB 3.32Å; F19-L23 WeakPolarHBondContact O-CB 3.29Å; F19-L23 PolarHBondContact O-N 2.99Å; F19-L51 HydrophobicContact CE1-CD1 4.25Å; F19-L51 HydrophobicContact CE1-CD2 3.89Å; F19-L51 HydrophobicContact CZ-CD2 4.3Å; F19-L66 HydrophobicContact CE2-CG 4.31Å; F19-L66 WeakPolarHBondContact CE2-O 3.49Å; F19-L66 HydrophobicContact CZ-CD2 4.11Å; F19-L66 HydrophobicContact CZ-CG 4.21Å; F19-D69 HydrophobicContact CD2-CB 4.12Å; F19-D69 HydrophobicContact CE2-CB 4.19Å; F19-Y70 HydrophobicContact CD1-CD2 4.29Å; F19-Y70 AromaticContact CE1-CD2 3.92Å; F19-Y70 HydrophobicContact CE1-CD2 3.92Å; F19-Y70 VanDerWaalsContact CE2-CA 3.49Å; F19-Y70 VanDerWaalsContact CE2-CB 3.49Å; F19-Y70 HydrophobicContact CE2-CD2 4.28Å; F19-Y70 HydrophobicContact CE2-CG 4.39Å; F19-Y70 AromaticContact CZ-CD2 3.92Å; F19-Y70 HydrophobicContact CZ-CD2 3.92Å; F19-Y70 HydrophobicContact CZ-CG 4.28Å; F19-F73 HydrophobicContact CB-CB 3.9Å; F19-F73 HydrophobicContact CB-CD1 4.01Å; F19-F73 HydrophobicContact CB-CD2 3.76Å; F19-F73 HydrophobicContact CB-CE2 4.32Å; F19-F73 HydrophobicContact CB-CG 3.6Å; F19-F73 HydrophobicContact CG-CB 4.44Å; F19-F73 HydrophobicContact CG-CG 4.4Å; F19-F89 HydrophobicContact CB-CE1 4.39Å; F19-F89 HydrophobicContact CD1-CE1 4.4Å; F19-C93 HydrophobicContact CD1-CB 4.36Å; F19-C93 HydrophobicContact CE1-CB 4.02Å; F19-I97 HydrophobicContact CE1-CD1 4.49Å; F19-I97 HydrophobicContact CZ-CD1 4.21Å |
| 20 | C | 86.9 | Confident | 68.6 | Low | 14 Ų | 14 | 75 Ų | 75 | 10% | 0.095 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 170.8 | -77.3 | 0 | 0 | 0 | 0 | 111.1 | C13 N17 L23 D24 | C13-C20 HydrophobicContact CB-CB 3.91Å; C13-C20 WeakPolarHBondContact CB-SG 3.4Å; C13-C20 WeakPolarHBondContact SG-CB 3.47Å; C13-C20 CovalentContact SG-SG 2.06Å; C13-C20 PolarHBondContact SG-SG 3Å; N17-C20 HydrophobicContact CB-CB 4.06Å; N17-C20 PolarHBondContact O-N 3.42Å; N17-C20 PolarHBondContact OD1-N 2.82Å; C20-L23 PolarHBondContact O-N 3.06Å; C20-D24 WeakPolarHBondContact O-CB 3.18Å; C20-D24 PolarHBondContact O-N 3.28Å |
| 21 | N | 87.1 | Confident | 69.3 | Low | 61 Ų | 61 | 68.3 Ų | 68.3 | 33% | 0.326 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 177.6 | -76.5 | -29.9 | 0 | 0 | 0 | 113 | R15 N17 I18 F19 K25 | R15-N21 PolarHBondContact O-ND2 3.02Å; R15-N21 PolarHBondContact O-OD1 2.97Å; N17-N21 WeakPolarHBondContact O-CB 3.28Å; N17-N21 VanDerWaalsContact O-CG 3.29Å; N17-N21 PolarHBondContact O-N 3.24Å; N17-N21 PolarHBondContact O-ND2 3Å; I18-N21 PolarHBondContact O-N 3.34Å; F19-N21 VanDerWaalsContact C-N 3.28Å; F19-N21 PolarHBondContact O-N 2.85Å; N21-K25 WeakPolarHBondContact O-CG 3.38Å; N21-K25 PolarHBondContact O-N 3.05Å; N21-K25 VanDerWaalsContact O-N 3.14Å |
| 22 | L | 87.8 | Confident | 70.1 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 176 | -176 | 60.2 | 0 | 0 | 0 | 111.2 | I18 F19 K25 I26 I47 L51 F89 | I18-L22 WeakPolarHBondContact O-CB 3.46Å; I18-L22 PolarHBondContact O-N 3.01Å; F19-L22 PolarHBondContact O-N 3.14Å; L22-K25 WeakPolarHBondContact O-CB 3.24Å; L22-K25 PolarHBondContact O-N 3.39Å; L22-I26 HydrophobicContact CG-CD1 4.41Å; L22-I26 WeakPolarHBondContact O-CG1 3.48Å; L22-I26 PolarHBondContact O-N 3.32Å; L22-I47 HydrophobicContact CD2-CB 4.35Å; L22-I47 HydrophobicContact CD2-CG1 4.35Å; L22-I47 HydrophobicContact CD2-CG2 3.93Å; L22-L51 HydrophobicContact CD2-CD1 4.49Å; L22-L51 HydrophobicContact CD2-CD2 4.27Å; L22-L51 HydrophobicContact CD2-CG 4.07Å; L22-F89 HydrophobicContact CB-CZ 4.37Å; L22-F89 HydrophobicContact CD2-CE2 4.28Å; L22-F89 HydrophobicContact CD2-CZ 4.16Å; L22-F89 HydrophobicContact CG-CE2 4.23Å; L22-F89 HydrophobicContact CG-CZ 4.31Å |
| 23 | L | 84.9 | Confident | 70.8 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | 177.4 | -164.8 | 158.9 | 0 | 0 | 0 | 110.8 | F19 C20 K25 I26 V27 F73 F81 F85 F89 | F19-L23 VanDerWaalsContact O-CB 3.32Å; F19-L23 WeakPolarHBondContact O-CB 3.29Å; F19-L23 PolarHBondContact O-N 2.99Å; C20-L23 PolarHBondContact O-N 3.06Å; L23-K25 PolarHBondContact O-N 3.23Å; L23-I26 WeakPolarHBondContact O-CB 3.1Å; L23-I26 PolarHBondContact O-N 2.98Å; L23-V27 HydrophobicContact CD2-CG2 3.64Å; L23-V27 WeakPolarHBondContact O-CG2 3.11Å; L23-V27 PolarHBondContact O-N 3.17Å; L23-F73 HydrophobicContact CD1-CE2 3.85Å; L23-F73 HydrophobicContact CD1-CZ 3.74Å; L23-F81 HydrophobicContact CD1-CD2 4.07Å; L23-F81 HydrophobicContact CD1-CE2 4.1Å; L23-F81 HydrophobicContact CD2-CD2 3.64Å; L23-F81 HydrophobicContact CD2-CE1 4.06Å; L23-F81 HydrophobicContact CD2-CE2 3.05Å; L23-F81 HydrophobicContact CD2-CG 4.37Å; L23-F81 HydrophobicContact CD2-CZ 3.28Å; L23-F81 HydrophobicContact CG-CE2 4.21Å; L23-F85 HydrophobicContact CD1-CE1 4.13Å; L23-F85 HydrophobicContact CD2-CE1 4.23Å; L23-F85 HydrophobicContact CG-CE1 4.02Å; L23-F89 HydrophobicContact CB-CE2 4.11Å; L23-F89 HydrophobicContact CB-CZ 4.06Å; L23-F89 HydrophobicContact CD1-CD1 4.28Å; L23-F89 HydrophobicContact CD1-CE1 4.37Å; L23-F89 HydrophobicContact CD1-CG 4.36Å; L23-F89 HydrophobicContact CG-CE2 4.44Å |
| 24 | D | 81.9 | Confident | 71.3 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.8 | -39.7 | 174.9 | -96.6 | 26.6 | 0 | 0 | 0 | 112.4 | C20 I26 K28 | C20-D24 WeakPolarHBondContact O-CB 3.18Å; C20-D24 PolarHBondContact O-N 3.28Å; D24-I26 VanDerWaalsContact C-N 3.29Å; D24-I26 PolarHBondContact O-N 3.47Å; D24-K28 VanDerWaalsContact O-CB 3.3Å; D24-K28 WeakPolarHBondContact O-CB 3.28Å; D24-K28 VanDerWaalsContact O-CG 3.28Å; D24-K28 WeakPolarHBondContact O-CG 3.39Å; D24-K28 PolarHBondContact O-N 2.85Å; D24-K28 IonicContact OD2-NZ 2.85Å; D24-K28 PolarHBondContact OD2-NZ 2.06Å |
| 25 | K | 81.8 | Confident | 71.6 | Confident | 161 Ų | 161 | 72.8 Ų | 72.8 | 70% | 0.7 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.6 | -29.5 | 176.9 | -77.1 | 175 | -178.2 | 177.2 | 0 | 113.1 | N21 L22 L23 | N21-K25 WeakPolarHBondContact O-CG 3.38Å; N21-K25 PolarHBondContact O-N 3.05Å; N21-K25 VanDerWaalsContact O-N 3.14Å; L22-K25 WeakPolarHBondContact O-CB 3.24Å; L22-K25 PolarHBondContact O-N 3.39Å; L23-K25 PolarHBondContact O-N 3.23Å |
| 26 | I | 79.3 | Confident | 71.7 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77.4 | -46.9 | 177.6 | -66.5 | 162.3 | 0 | 0 | 0 | 109.6 | L22 L23 D24 L32 Y43 I47 F85 F89 | L22-I26 HydrophobicContact CG-CD1 4.41Å; L22-I26 WeakPolarHBondContact O-CG1 3.48Å; L22-I26 PolarHBondContact O-N 3.32Å; L23-I26 WeakPolarHBondContact O-CB 3.1Å; L23-I26 PolarHBondContact O-N 2.98Å; D24-I26 VanDerWaalsContact C-N 3.29Å; D24-I26 PolarHBondContact O-N 3.47Å; I26-L32 HydrophobicContact CG2-CD1 4.43Å; I26-L32 WeakPolarHBondContact O-CD1 3.36Å; I26-Y43 HydrophobicContact CG2-CG 4.21Å; I26-I47 HydrophobicContact CD1-CD1 3.79Å; I26-I47 HydrophobicContact CD1-CG1 3.41Å; I26-I47 VanDerWaalsContact CD1-CG1 3.41Å; I26-F85 HydrophobicContact CG2-CZ 4.22Å; I26-F89 HydrophobicContact CD1-CD2 4.2Å; I26-F89 HydrophobicContact CD1-CE2 3.88Å |
| 27 | V | 74 | Confident | 70.7 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.9 | -36.9 | -174.6 | 176.1 | 0 | 0 | 0 | 0 | 113.1 | L23 R29 F81 F85 | L23-V27 HydrophobicContact CD2-CG2 3.64Å; L23-V27 WeakPolarHBondContact O-CG2 3.11Å; L23-V27 PolarHBondContact O-N 3.17Å; V27-R29 PolarHBondContact O-N 3.06Å; V27-F81 HydrophobicContact CB-CE1 4.4Å; V27-F81 HydrophobicContact CG1-CE1 3.98Å; V27-F81 HydrophobicContact CG2-CD1 4.33Å; V27-F81 HydrophobicContact CG2-CE1 3.78Å; V27-F81 HydrophobicContact CG2-CZ 4.13Å; V27-F85 HydrophobicContact CG2-CE1 4.41Å; V27-F85 HydrophobicContact CG2-CZ 4.41Å |
| 28 | K | 68.4 | Low | 69.1 | Low | 151 Ų | 151 | 73.5 Ų | 73.5 | 66% | 0.657 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 1.4 | -177.5 | -74.3 | 173.3 | -177.8 | 158.3 | 0 | 114.4 | D24 P30 | D24-K28 VanDerWaalsContact O-CB 3.3Å; D24-K28 WeakPolarHBondContact O-CB 3.28Å; D24-K28 VanDerWaalsContact O-CG 3.28Å; D24-K28 WeakPolarHBondContact O-CG 3.39Å; D24-K28 PolarHBondContact O-N 2.85Å; D24-K28 IonicContact OD2-NZ 2.85Å; D24-K28 PolarHBondContact OD2-NZ 2.06Å; K28-P30 WeakPolarHBondContact O-CD 3.32Å |
| 29 | R | 62.2 | Low | 67.8 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 42% | 0.419 | 38% | 0.38 | S | S | . | . | trans | -79.4 | 123.7 | -177 | -147.1 | -179.7 | -169.8 | -147.6 | -3.7 | 110.5 | V27 S31 L32 R46 | V27-R29 PolarHBondContact O-N 3.06Å; R29-S31 PolarHBondContact O-N 3.2Å; R29-L32 HydrophobicContact CB-CD1 4.1Å; R29-L32 PolarHBondContact O-N 2.88Å; R29-R46 VanDerWaalsContact CD-NH1 3.33Å; R29-R46 VanDerWaalsContact CZ-CZ 3.47Å; R29-R46 VanDerWaalsContact CZ-NH1 3.31Å; R29-R46 VanDerWaalsContact NH1-CZ 3.27Å | ||
| 30 | P | 51.3 | Low | 66.6 | Low | 99 Ų | 99 | 76 Ų | 76 | 64% | 0.643 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -56.9 | -27.8 | -177.9 | -25.4 | 33.2 | 0 | 0 | 0 | 114.2 | K28 L32 Q33 | K28-P30 WeakPolarHBondContact O-CD 3.32Å; P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 PolarHBondContact O-N 2.63Å; P30-Q33 WeakPolarHBondContact O-CG 3.33Å |
| 31 | S | 52.4 | Low | 65.9 | Low | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -76.9 | -4.3 | 179.1 | 69.4 | 0 | 0 | 0 | 0 | 114.9 | R29 | R29-S31 PolarHBondContact O-N 3.2Š|
| 32 | L | 52.9 | Low | 65.2 | Low | 18 Ų | 18 | 80.5 Ų | 80.5 | 9% | 0.094 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -118.7 | 22.3 | -175.6 | -71.2 | 168.8 | 0 | 0 | 0 | 112 | I26 R29 P30 F34 W38 | I26-L32 HydrophobicContact CG2-CD1 4.43Å; I26-L32 WeakPolarHBondContact O-CD1 3.36Å; R29-L32 HydrophobicContact CB-CD1 4.1Å; R29-L32 PolarHBondContact O-N 2.88Å; P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 PolarHBondContact O-N 2.63Å; L32-F34 PolarHBondContact O-N 3.47Å; L32-W38 HydrophobicContact CD2-CB 4.41Å; L32-W38 HydrophobicContact CD2-CD2 3.96Å; L32-W38 HydrophobicContact CD2-CE3 4.31Å; L32-W38 HydrophobicContact CD2-CG 4.01Å |
| 33 | Q | 53.2 | Low | 64.7 | Low | 154 Ų | 154 | 80.4 Ų | 80.4 | 72% | 0.72 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -60.4 | -12 | -177.8 | -81.4 | 177.2 | -8.4 | 0 | 0 | 114.8 | P30 | P30-Q33 WeakPolarHBondContact O-CG 3.33Š|
| 34 | F | 53.8 | Low | 64.6 | Low | 137 Ų | 137 | 82.2 Ų | 82.2 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | trans | -119.2 | 73.1 | 177 | -60.5 | -77.3 | 0 | 0 | 0 | 111 | L32 G36 Q37 W38 | L32-F34 PolarHBondContact O-N 3.47Å; F34-G36 PolarHBondContact O-N 2.95Å; F34-Q37 HydrophobicContact CB-CB 4.38Å; F34-Q37 HydrophobicContact CB-CG 4.4Å; F34-Q37 PolarHBondContact O-N 3.31Å; F34-W38 VanDerWaalsContact O-CD1 3.23Å | ||
| 35 | L | 52.3 | Low | 64.7 | Low | 64 Ų | 64 | 82.7 Ų | 82.7 | 34% | 0.335 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -50.4 | -30.7 | -179 | -81.2 | 154.2 | 0 | 0 | 0 | 113.9 | Q37 F85 | L35-Q37 VanDerWaalsContact C-N 3.29Å; L35-Q37 PolarHBondContact O-N 2.84Å; L35-F85 HydrophobicContact CD2-CD2 3.83Å; L35-F85 HydrophobicContact CD2-CE2 3.81Å; L35-F85 HydrophobicContact CD2-CG 4.36Å; L35-F85 HydrophobicContact CD2-CZ 4.33Å |
| 36 | G | 52.5 | Low | 64.8 | Low | 70 Ų | 70 | 79.4 Ų | 79.4 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -74.6 | -3.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | F34 | F34-G36 PolarHBondContact O-N 2.95Š|
| 37 | Q | 52.2 | Low | 65.2 | Low | 157 Ų | 157 | 79.1 Ų | 79.1 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -110.3 | -5.6 | -178.3 | -71.8 | -174.7 | -18.7 | 0 | 0 | 114.5 | F34 L35 | F34-Q37 HydrophobicContact CB-CB 4.38Å; F34-Q37 HydrophobicContact CB-CG 4.4Å; F34-Q37 PolarHBondContact O-N 3.31Å; L35-Q37 VanDerWaalsContact C-N 3.29Å; L35-Q37 PolarHBondContact O-N 2.84Å |
| 38 | W | 55.9 | Low | 65.8 | Low | 122 Ų | 122 | 79.3 Ų | 79.3 | 46% | 0.462 | 41% | 0.406 | S | S | . | . | trans | -117.3 | 123.3 | -174.3 | -60.8 | 73.5 | 0 | 0 | 0 | 110.4 | L32 F34 C42 | L32-W38 HydrophobicContact CD2-CB 4.41Å; L32-W38 HydrophobicContact CD2-CD2 3.96Å; L32-W38 HydrophobicContact CD2-CE3 4.31Å; L32-W38 HydrophobicContact CD2-CG 4.01Å; F34-W38 VanDerWaalsContact O-CD1 3.23Å; W38-C42 HydrophobicContact CB-CB 4.34Å; W38-C42 HydrophobicContact CE3-CB 3.99Å; W38-C42 VanDerWaalsContact CE3-SG 3.54Å | ||
| 39 | G | 62 | Low | 66.7 | Low | 43 Ų | 43 | 80.5 Ų | 80.5 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | trans | -68.2 | 161.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H41 C42 | G39-H41 PolarHBondContact O-N 3.13Å; G39-C42 PolarHBondContact O-N 3.23Å; G39-C42 VanDerWaalsContact O-N 3.09Å; G39-C42 PolarHBondContact O-SG 3.46Å; G39-C42 VanDerWaalsContact O-SG 3.34Å | ||
| 40 | Y | 66.9 | Low | 68.1 | Low | 66 Ų | 66 | 77.6 Ų | 77.6 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -53.5 | -26.9 | -176 | 68 | -91.3 | 0 | 0 | 0 | 115 | C42 Y43 E44 P144 | Y40-C42 PolarHBondContact O-N 2.68Å; Y40-Y43 VanDerWaalsContact CA-CZ 3.45Å; Y40-Y43 PolarHBondContact O-N 3.02Å; Y40-Y43 VanDerWaalsContact O-N 3.12Å; Y40-E44 HydrophobicContact CD2-CB 4.26Å; Y40-E44 WeakPolarHBondContact CD2-OE2 3.38Å; Y40-E44 VanDerWaalsContact CE2-OE2 3.32Å; Y40-E44 WeakPolarHBondContact CE2-OE2 3.29Å; Y40-E44 VanDerWaalsContact O-CB 3.31Å; Y40-E44 WeakPolarHBondContact O-CB 3.25Å; Y40-E44 PolarHBondContact O-N 3.44Å; Y40-P144 VanDerWaalsContact OH-CG 3.25Å; Y40-P144 WeakPolarHBondContact OH-CG 3.36Å |
| 41 | H | 70.8 | Confident | 70.1 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -51.4 | -24.8 | 175.6 | -60 | -56.4 | 0 | 0 | 0 | 114.6 | G39 E44 P45 | G39-H41 PolarHBondContact O-N 3.13Å; H41-E44 IonicContact ND1-OE2 2.66Å; H41-P45 VanDerWaalsContact O-CD 3.26Å; H41-P45 WeakPolarHBondContact O-CD 3.45Å |
| 42 | C | 73.4 | Confident | 71.9 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -79.1 | -23.7 | -175.1 | -54.7 | 0 | 0 | 0 | 0 | 112.9 | W38 G39 Y40 | W38-C42 HydrophobicContact CB-CB 4.34Å; W38-C42 HydrophobicContact CE3-CB 3.99Å; W38-C42 VanDerWaalsContact CE3-SG 3.54Å; G39-C42 PolarHBondContact O-N 3.23Å; G39-C42 VanDerWaalsContact O-N 3.09Å; G39-C42 PolarHBondContact O-SG 3.46Å; G39-C42 VanDerWaalsContact O-SG 3.34Å; Y40-C42 PolarHBondContact O-N 2.68Å |
| 43 | Y | 77.3 | Confident | 73.7 | Confident | 11 Ų | 11 | 77 Ų | 77 | 4% | 0.043 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -21.7 | 178.8 | 52.2 | -101.3 | 0 | 0 | 0 | 114.1 | I26 Y40 R46 I47 F85 D88 I92 | I26-Y43 HydrophobicContact CG2-CG 4.21Å; Y40-Y43 VanDerWaalsContact CA-CZ 3.45Å; Y40-Y43 PolarHBondContact O-N 3.02Å; Y40-Y43 VanDerWaalsContact O-N 3.12Å; Y43-R46 WeakPolarHBondContact O-CB 3.38Å; Y43-R46 PolarHBondContact O-N 3.46Å; Y43-I47 HydrophobicContact CD2-CD1 3.62Å; Y43-I47 HydrophobicContact CE2-CD1 4.25Å; Y43-I47 PolarHBondContact O-N 3.45Å; Y43-I47 VanDerWaalsContact O-N 3.17Å; Y43-F85 HydrophobicContact CD1-CE2 4.07Å; Y43-F85 AromaticContact CE1-CD2 3.95Å; Y43-F85 HydrophobicContact CE1-CD2 3.95Å; Y43-F85 AromaticContact CE1-CE2 3.65Å; Y43-F85 HydrophobicContact CE1-CE2 3.65Å; Y43-F85 HydrophobicContact CE2-CE2 4.25Å; Y43-F85 AromaticContact CZ-CD2 3.89Å; Y43-F85 AromaticContact CZ-CE2 3.73Å; Y43-D88 HydrophobicContact CE2-CB 4.5Å; Y43-D88 VanDerWaalsContact OH-CB 3.29Å; Y43-D88 WeakPolarHBondContact OH-CB 3.42Å; Y43-D88 PolarHBondContact OH-OD2 2.97Å; Y43-I92 HydrophobicContact CD2-CD1 3.93Å; Y43-I92 HydrophobicContact CE2-CD1 3.59Å |
| 44 | E | 83.1 | Confident | 75.6 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 19% | 0.192 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -48.8 | -51.6 | 179.3 | 171.8 | -167.5 | -169.4 | 0 | 0 | 113.6 | Y40 H41 R46 I47 Y48 I92 | Y40-E44 HydrophobicContact CD2-CB 4.26Å; Y40-E44 WeakPolarHBondContact CD2-OE2 3.38Å; Y40-E44 VanDerWaalsContact CE2-OE2 3.32Å; Y40-E44 WeakPolarHBondContact CE2-OE2 3.29Å; Y40-E44 VanDerWaalsContact O-CB 3.31Å; Y40-E44 WeakPolarHBondContact O-CB 3.25Å; Y40-E44 PolarHBondContact O-N 3.44Å; H41-E44 IonicContact ND1-OE2 2.66Å; E44-R46 PolarHBondContact O-N 2.89Å; E44-I47 PolarHBondContact O-N 2.86Å; E44-Y48 WeakPolarHBondContact O-CB 3.4Å; E44-Y48 PolarHBondContact O-N 2.93Å; E44-I92 HydrophobicContact CB-CD1 3.82Å; E44-I92 HydrophobicContact CB-CG1 4.39Å; E44-I92 HydrophobicContact CG-CD1 4.25Å; E44-I92 HydrophobicContact CG-CG1 4.27Å; E44-I92 HydrophobicContact CG-CG2 4.14Å |
| 45 | P | 83.8 | Confident | 77.5 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 34% | 0.338 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -27 | -178.3 | -25.4 | 34.9 | 0 | 0 | 0 | 113.6 | H41 R49 | H41-P45 VanDerWaalsContact O-CD 3.26Å; H41-P45 WeakPolarHBondContact O-CD 3.45Å; P45-R49 VanDerWaalsContact O-CB 3.29Å; P45-R49 WeakPolarHBondContact O-CB 3.45Å; P45-R49 WeakPolarHBondContact O-CG 3.48Å; P45-R49 PolarHBondContact O-N 2.97Å |
| 46 | R | 84.2 | Confident | 79.4 | Confident | 92 Ų | 92 | 70.4 Ų | 70.4 | 35% | 0.347 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -80.6 | -43.4 | -178.9 | -63.7 | 172.5 | 172.1 | -137.5 | -20.9 | 111.5 | R29 Y43 E44 Y48 S50 | R29-R46 VanDerWaalsContact CD-NH1 3.33Å; R29-R46 VanDerWaalsContact CZ-CZ 3.47Å; R29-R46 VanDerWaalsContact CZ-NH1 3.31Å; R29-R46 VanDerWaalsContact NH1-CZ 3.27Å; Y43-R46 WeakPolarHBondContact O-CB 3.38Å; Y43-R46 PolarHBondContact O-N 3.46Å; E44-R46 PolarHBondContact O-N 2.89Å; R46-Y48 VanDerWaalsContact C-N 3.32Å; R46-S50 VanDerWaalsContact O-CB 3.3Å; R46-S50 WeakPolarHBondContact O-CB 3.15Å; R46-S50 PolarHBondContact O-N 3.23Å; R46-S50 PolarHBondContact O-OG 3.31Å |
| 47 | I | 87.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.6 | -53.3 | 173.4 | -64 | 171.7 | 0 | 0 | 0 | 108.2 | L22 I26 Y43 E44 R49 S50 L51 F89 I92 | L22-I47 HydrophobicContact CD2-CB 4.35Å; L22-I47 HydrophobicContact CD2-CG1 4.35Å; L22-I47 HydrophobicContact CD2-CG2 3.93Å; I26-I47 HydrophobicContact CD1-CD1 3.79Å; I26-I47 HydrophobicContact CD1-CG1 3.41Å; I26-I47 VanDerWaalsContact CD1-CG1 3.41Å; Y43-I47 HydrophobicContact CD2-CD1 3.62Å; Y43-I47 HydrophobicContact CE2-CD1 4.25Å; Y43-I47 PolarHBondContact O-N 3.45Å; Y43-I47 VanDerWaalsContact O-N 3.17Å; E44-I47 PolarHBondContact O-N 2.86Å; I47-R49 PolarHBondContact O-N 3.39Å; I47-S50 PolarHBondContact O-N 2.94Å; I47-L51 HydrophobicContact CG2-CD1 3.83Å; I47-L51 HydrophobicContact CG2-CG 4.43Å; I47-L51 PolarHBondContact O-N 3.27Å; I47-F89 HydrophobicContact CD1-CD2 3.4Å; I47-F89 VanDerWaalsContact CD1-CD2 3.4Å; I47-F89 HydrophobicContact CD1-CE2 3.71Å; I47-F89 HydrophobicContact CD1-CG 4.35Å; I47-F89 HydrophobicContact CG1-CD2 4.21Å; I47-F89 HydrophobicContact CG1-CE2 4.01Å; I47-I92 HydrophobicContact CB-CG2 3.81Å; I47-I92 HydrophobicContact CD1-CB 4.33Å; I47-I92 HydrophobicContact CD1-CD1 3.97Å; I47-I92 HydrophobicContact CD1-CG2 4.2Å; I47-I92 HydrophobicContact CG2-CB 4.27Å; I47-I92 HydrophobicContact CG2-CG2 3.55Å |
| 48 | Y | 86.9 | Confident | 83.3 | Confident | 45 Ų | 45 | 68.3 Ų | 68.3 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -53.3 | 179.7 | 177.5 | -102.3 | 0 | 0 | 0 | 112 | E44 R46 S50 L51 A52 T96 Y99 Y140 | E44-Y48 WeakPolarHBondContact O-CB 3.4Å; E44-Y48 PolarHBondContact O-N 2.93Å; R46-Y48 VanDerWaalsContact C-N 3.32Å; Y48-S50 VanDerWaalsContact C-N 3.28Å; Y48-S50 PolarHBondContact O-N 3.04Å; Y48-L51 PolarHBondContact O-N 2.92Å; Y48-A52 HydrophobicContact CE1-CB 4.35Å; Y48-A52 WeakPolarHBondContact O-CA 3.31Å; Y48-A52 WeakPolarHBondContact O-CB 3.26Å; Y48-A52 PolarHBondContact O-N 3.33Å; Y48-T96 HydrophobicContact CD2-CG2 3.66Å; Y48-T96 HydrophobicContact CE2-CG2 4.03Å; Y48-Y99 HydrophobicContact CE2-CD1 4.39Å; Y48-Y140 VanDerWaalsContact CD1-OH 3.29Å; Y48-Y140 WeakPolarHBondContact CD1-OH 3.35Å; Y48-Y140 WeakPolarHBondContact CD2-OH 3.45Å; Y48-Y140 AromaticContact CE1-CE2 3.98Å; Y48-Y140 HydrophobicContact CE1-CE2 3.98Å; Y48-Y140 WeakPolarHBondContact CE1-OH 3.16Å; Y48-Y140 AromaticContact CE2-CE2 3.89Å; Y48-Y140 HydrophobicContact CE2-CE2 3.89Å; Y48-Y140 AromaticContact CE2-CZ 3.94Å; Y48-Y140 WeakPolarHBondContact CE2-OH 3.17Å; Y48-Y140 AromaticContact CZ-CE2 3.57Å; Y48-Y140 AromaticContact CZ-CZ 3.88Å |
| 49 | R | 87.6 | Confident | 85.2 | Confident | 176 Ų | 176 | 67.1 Ų | 67.1 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.5 | -39.9 | 179.4 | -77 | 177.1 | -143.2 | 166.3 | 3.2 | 112.8 | P45 I47 K53 | P45-R49 VanDerWaalsContact O-CB 3.29Å; P45-R49 WeakPolarHBondContact O-CB 3.45Å; P45-R49 WeakPolarHBondContact O-CG 3.48Å; P45-R49 PolarHBondContact O-N 2.97Å; I47-R49 PolarHBondContact O-N 3.39Å; R49-K53 WeakPolarHBondContact O-CB 3.23Å; R49-K53 PolarHBondContact O-N 3.09Å |
| 50 | S | 90.5 | Very high | 86.8 | Confident | 50 Ų | 50 | 68 Ų | 68 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.6 | -50 | -178 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | R46 I47 Y48 K53 I54 | R46-S50 VanDerWaalsContact O-CB 3.3Å; R46-S50 WeakPolarHBondContact O-CB 3.15Å; R46-S50 PolarHBondContact O-N 3.23Å; R46-S50 PolarHBondContact O-OG 3.31Å; I47-S50 PolarHBondContact O-N 2.94Å; Y48-S50 VanDerWaalsContact C-N 3.28Å; Y48-S50 PolarHBondContact O-N 3.04Å; S50-K53 PolarHBondContact O-N 3.45Å; S50-I54 WeakPolarHBondContact O-CG1 3.3Å; S50-I54 PolarHBondContact O-N 3.24Å |
| 51 | L | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 177.9 | -69.9 | 179.5 | 0 | 0 | 0 | 111.7 | F19 L22 I47 Y48 K53 I54 L55 C93 T96 | F19-L51 HydrophobicContact CE1-CD1 4.25Å; F19-L51 HydrophobicContact CE1-CD2 3.89Å; F19-L51 HydrophobicContact CZ-CD2 4.3Å; L22-L51 HydrophobicContact CD2-CD1 4.49Å; L22-L51 HydrophobicContact CD2-CD2 4.27Å; L22-L51 HydrophobicContact CD2-CG 4.07Å; I47-L51 HydrophobicContact CG2-CD1 3.83Å; I47-L51 HydrophobicContact CG2-CG 4.43Å; I47-L51 PolarHBondContact O-N 3.27Å; Y48-L51 PolarHBondContact O-N 2.92Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 2.98Å; L51-I54 PolarHBondContact O-N 3.12Å; L51-I54 VanDerWaalsContact O-N 3.1Å; L51-L55 HydrophobicContact CB-CD1 4.28Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.2Å; L51-L55 PolarHBondContact O-N 3.18Å; L51-C93 HydrophobicContact CD1-CB 4.06Å; L51-T96 HydrophobicContact CB-CG2 3.7Å; L51-T96 HydrophobicContact CD1-CG2 4.38Å |
| 52 | A | 90.9 | Very high | 89.4 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y48 I54 R56 W100 | Y48-A52 HydrophobicContact CE1-CB 4.35Å; Y48-A52 WeakPolarHBondContact O-CA 3.31Å; Y48-A52 WeakPolarHBondContact O-CB 3.26Å; Y48-A52 PolarHBondContact O-N 3.33Å; A52-I54 VanDerWaalsContact C-N 3.33Å; A52-I54 PolarHBondContact O-N 2.97Å; A52-R56 WeakPolarHBondContact O-CB 3.36Å; A52-R56 PolarHBondContact O-N 3.34Å; A52-W100 HydrophobicContact CB-CZ2 3.92Å; A52-W100 VanDerWaalsContact CB-NE1 3.31Å |
| 53 | K | 92 | Very high | 90.5 | Very high | 158 Ų | 158 | 64.3 Ų | 64.3 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 175.2 | -173.6 | 178.1 | 179.1 | -178.7 | 0 | 111.7 | R49 S50 L51 Y57 | R49-K53 WeakPolarHBondContact O-CB 3.23Å; R49-K53 PolarHBondContact O-N 3.09Å; S50-K53 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 2.98Å; K53-Y57 WeakPolarHBondContact O-CD2 3.37Å |
| 54 | I | 92.8 | Very high | 91.4 | Very high | 61 Ų | 61 | 66 Ų | 66 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.5 | -56.6 | 176.9 | -62.5 | 166.4 | 0 | 0 | 0 | 109.6 | I18 S50 L51 A52 R56 Y57 V58 L66 | I18-I54 HydrophobicContact CG2-CD1 3.81Å; S50-I54 WeakPolarHBondContact O-CG1 3.3Å; S50-I54 PolarHBondContact O-N 3.24Å; L51-I54 PolarHBondContact O-N 3.12Å; L51-I54 VanDerWaalsContact O-N 3.1Å; A52-I54 VanDerWaalsContact C-N 3.33Å; A52-I54 PolarHBondContact O-N 2.97Å; I54-R56 PolarHBondContact O-N 3.12Å; I54-R56 VanDerWaalsContact O-N 3.15Å; I54-Y57 PolarHBondContact O-N 3.07Å; I54-Y57 VanDerWaalsContact O-N 3.1Å; I54-V58 WeakPolarHBondContact O-CB 3.29Å; I54-V58 PolarHBondContact O-N 3.01Å; I54-L66 HydrophobicContact CG2-CD1 3.78Å |
| 55 | L | 93.3 | Very high | 92 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -27.1 | -175.1 | -69.5 | 163.6 | 0 | 0 | 0 | 113.2 | L51 Y57 V58 F63 L66 T96 I97 W100 K105 | L51-L55 HydrophobicContact CB-CD1 4.28Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.2Å; L51-L55 PolarHBondContact O-N 3.18Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 3.49Å; L55-V58 HydrophobicContact CD2-CG1 4.44Å; L55-F63 HydrophobicContact CD2-CD2 4.03Å; L55-F63 HydrophobicContact CD2-CE2 3.98Å; L55-L66 HydrophobicContact CD2-CD1 4.1Å; L55-L66 HydrophobicContact CD2-CD2 4.42Å; L55-L66 HydrophobicContact CG-CD1 4.48Å; L55-T96 HydrophobicContact CD1-CG2 4.08Å; L55-I97 HydrophobicContact CD1-CG1 4.36Å; L55-W100 HydrophobicContact CB-CB 3.9Å; L55-W100 HydrophobicContact CB-CD2 4.02Å; L55-W100 HydrophobicContact CB-CE3 4.5Å; L55-W100 HydrophobicContact CB-CG 3.72Å; L55-W100 HydrophobicContact CD1-CB 3.92Å; L55-W100 HydrophobicContact CD1-CG 3.98Å; L55-W100 HydrophobicContact CG-CB 4.37Å; L55-W100 HydrophobicContact CG-CG 4.47Å; L55-K105 WeakPolarHBondContact O-CE 3.1Å |
| 56 | R | 91.4 | Very high | 92.6 | Very high | 152 Ų | 152 | 64.3 Ų | 64.3 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 176.4 | -177.3 | 173.1 | -178.3 | 179 | 0.4 | 113.2 | A52 I54 W100 | A52-R56 WeakPolarHBondContact O-CB 3.36Å; A52-R56 PolarHBondContact O-N 3.34Å; I54-R56 PolarHBondContact O-N 3.12Å; I54-R56 VanDerWaalsContact O-N 3.15Å; R56-W100 HydrophobicContact CB-CH2 3.63Å; R56-W100 HydrophobicContact CB-CZ2 4.26Å; R56-W100 HydrophobicContact CB-CZ3 3.89Å; R56-W100 HydrophobicContact CG-CH2 3.87Å; R56-W100 HydrophobicContact CG-CZ3 4.16Å |
| 57 | Y | 91.9 | Very high | 93.1 | Very high | 164 Ų | 164 | 60 Ų | 60 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -116.9 | -1.8 | -171.2 | -58.3 | -71.5 | 0 | 0 | 0 | 113.7 | K53 I54 L55 | K53-Y57 WeakPolarHBondContact O-CD2 3.37Å; I54-Y57 PolarHBondContact O-N 3.07Å; I54-Y57 VanDerWaalsContact O-N 3.1Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 3.49Å |
| 58 | V | 94.5 | Very high | 93.5 | Very high | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | trans | -69.3 | 136 | 179.9 | 79.3 | 0 | 0 | 0 | 0 | 111.1 | I54 L55 F63 K105 F110 | I54-V58 WeakPolarHBondContact O-CB 3.29Å; I54-V58 PolarHBondContact O-N 3.01Å; L55-V58 HydrophobicContact CD2-CG1 4.44Å; V58-F63 HydrophobicContact CG1-CB 4.2Å; V58-F63 HydrophobicContact CG1-CD2 4.49Å; V58-F63 HydrophobicContact CG2-CB 4.34Å; V58-F63 VanDerWaalsContact CG2-N 3.28Å; V58-K105 PolarHBondContact O-NZ 3.17Å; V58-F110 HydrophobicContact CG1-CE1 4.15Å | ||
| 59 | D | 95.6 | Very high | 93.8 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | trans | -83.9 | -173.3 | 166.6 | 57.9 | 5.8 | 0 | 0 | 0 | 110.8 | G62 F63 | D59-G62 WeakPolarHBondContact OD1-CA 3.19Å; D59-G62 PolarHBondContact OD1-N 3.46Å; D59-F63 VanDerWaalsContact O-CB 3.3Å; D59-F63 WeakPolarHBondContact O-CB 3.48Å; D59-F63 PolarHBondContact O-N 2.93Å | ||
| 60 | L | 96.2 | Very high | 94.1 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | -178.4 | -77.1 | 170.6 | 0 | 0 | 0 | 112.1 | F63 D64 D109 F110 L113 | L60-F63 WeakPolarHBondContact O-CB 3.01Å; L60-F63 PolarHBondContact O-N 3.22Å; L60-F63 VanDerWaalsContact O-N 3.13Å; L60-D64 PolarHBondContact O-N 3.17Å; L60-D109 HydrophobicContact CD1-CB 3.82Å; L60-D109 HydrophobicContact CD2-CB 3.83Å; L60-D109 HydrophobicContact CG-CB 4.43Å; L60-F110 HydrophobicContact CD2-CD1 4.26Å; L60-F110 HydrophobicContact CD2-CD2 3.57Å; L60-F110 HydrophobicContact CD2-CE1 4.31Å; L60-F110 HydrophobicContact CD2-CE2 3.65Å; L60-F110 HydrophobicContact CD2-CG 3.9Å; L60-F110 HydrophobicContact CD2-CZ 4.02Å; L60-F110 HydrophobicContact CG-CD2 4.37Å; L60-F110 HydrophobicContact CG-CE2 3.97Å; L60-F110 HydrophobicContact CG-CZ 4.24Å; L60-L113 HydrophobicContact CD2-CD2 4.31Å; L60-L113 WeakPolarHBondContact O-CD2 3.5Å |
| 61 | D | 95.9 | Very high | 94.2 | Very high | 131 Ų | 131 | 52.9 Ų | 52.9 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 179.7 | -66 | -32.5 | 0 | 0 | 0 | 111.7 | F63 D64 A65 | D61-F63 VanDerWaalsContact C-N 3.26Å; D61-F63 PolarHBondContact O-N 2.89Å; D61-D64 WeakPolarHBondContact O-CB 3.38Å; D61-D64 PolarHBondContact O-N 2.79Å; D61-A65 PolarHBondContact O-N 3.17Å |
| 62 | G | 95.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 54 Ų | 54 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -32.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D59 L66 | D59-G62 WeakPolarHBondContact OD1-CA 3.19Å; D59-G62 PolarHBondContact OD1-N 3.46Å; G62-L66 WeakPolarHBondContact O-CB 3.28Å; G62-L66 PolarHBondContact O-N 3Å |
| 63 | F | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.2 | -37.2 | 175.8 | -173.6 | -119.2 | 0 | 0 | 0 | 111.6 | L55 V58 D59 L60 D61 A65 L66 L67 I97 V101 F110 L113 L114 | L55-F63 HydrophobicContact CD2-CD2 4.03Å; L55-F63 HydrophobicContact CD2-CE2 3.98Å; V58-F63 HydrophobicContact CG1-CB 4.2Å; V58-F63 HydrophobicContact CG1-CD2 4.49Å; V58-F63 HydrophobicContact CG2-CB 4.34Å; V58-F63 VanDerWaalsContact CG2-N 3.28Å; D59-F63 VanDerWaalsContact O-CB 3.3Å; D59-F63 WeakPolarHBondContact O-CB 3.48Å; D59-F63 PolarHBondContact O-N 2.93Å; L60-F63 WeakPolarHBondContact O-CB 3.01Å; L60-F63 PolarHBondContact O-N 3.22Å; L60-F63 VanDerWaalsContact O-N 3.13Å; D61-F63 VanDerWaalsContact C-N 3.26Å; D61-F63 PolarHBondContact O-N 2.89Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 3.07Å; F63-L66 HydrophobicContact CD2-CD2 4.35Å; F63-L66 HydrophobicContact CE2-CD2 4.28Å; F63-L66 PolarHBondContact O-N 3.19Å; F63-L67 HydrophobicContact CD1-CD1 4.07Å; F63-L67 HydrophobicContact CD1-CG 4.48Å; F63-L67 HydrophobicContact CE1-CD1 3.6Å; F63-L67 HydrophobicContact CE1-CG 4.11Å; F63-L67 HydrophobicContact CE2-CD2 4.25Å; F63-L67 HydrophobicContact CE2-CG 4.2Å; F63-L67 HydrophobicContact CZ-CD1 3.87Å; F63-L67 HydrophobicContact CZ-CD2 3.96Å; F63-L67 HydrophobicContact CZ-CG 3.94Å; F63-L67 WeakPolarHBondContact O-CG 3.34Å; F63-L67 PolarHBondContact O-N 3.18Å; F63-I97 HydrophobicContact CE2-CG2 4.27Å; F63-I97 HydrophobicContact CZ-CG2 4.36Å; F63-V101 HydrophobicContact CE1-CG2 4.21Å; F63-V101 HydrophobicContact CE2-CG2 3.94Å; F63-V101 HydrophobicContact CZ-CG2 3.45Å; F63-V101 VanDerWaalsContact CZ-CG2 3.45Å; F63-F110 HydrophobicContact CB-CD1 3.99Å; F63-F110 HydrophobicContact CB-CE1 3.71Å; F63-F110 HydrophobicContact CD1-CB 4.47Å; F63-F110 AromaticContact CD1-CD1 3.51Å; F63-F110 HydrophobicContact CD1-CD1 3.51Å; F63-F110 HydrophobicContact CD1-CE1 4.15Å; F63-F110 HydrophobicContact CD1-CG 4.36Å; F63-F110 HydrophobicContact CD2-CD1 4.32Å; F63-F110 HydrophobicContact CE1-CB 4.39Å; F63-F110 HydrophobicContact CE1-CD1 4.05Å; F63-F110 WeakPolarHBondContact CE1-O 3.4Å; F63-F110 AromaticContact CG-CD1 3.67Å; F63-F110 HydrophobicContact CG-CD1 3.67Å; F63-F110 AromaticContact CG-CE1 3.9Å; F63-F110 HydrophobicContact CG-CE1 3.9Å; F63-L113 HydrophobicContact CD1-CD2 4.07Å; F63-L114 HydrophobicContact CE1-CB 4.27Å; F63-L114 HydrophobicContact CZ-CD1 4.34Å |
| 64 | D | 96.7 | Very high | 93.9 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56 | -48.4 | 170.7 | -166 | 77 | 0 | 0 | 0 | 111.5 | L60 D61 L67 T68 L113 K117 | L60-D64 PolarHBondContact O-N 3.17Å; D61-D64 WeakPolarHBondContact O-CB 3.38Å; D61-D64 PolarHBondContact O-N 2.79Å; D64-L67 PolarHBondContact O-N 2.9Å; D64-T68 WeakPolarHBondContact O-CB 3.29Å; D64-T68 PolarHBondContact O-N 2.99Å; D64-T68 PolarHBondContact O-OG1 3.39Å; D64-L113 HydrophobicContact CB-CD2 4.02Å; D64-L113 WeakPolarHBondContact OD1-CD1 3.41Å; D64-K117 VanDerWaalsContact CG-NZ 3.27Å; D64-K117 WeakPolarHBondContact OD1-CE 3.35Å; D64-K117 IonicContact OD1-NZ 3.48Å; D64-K117 PolarHBondContact OD1-NZ 2.97Å; D64-K117 WeakPolarHBondContact OD2-CE 2.65Å; D64-K117 IonicContact OD2-NZ 3.01Å; D64-K117 PolarHBondContact OD2-NZ 3.49Å |
| 65 | A | 95.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D61 F63 T68 D69 | D61-A65 PolarHBondContact O-N 3.17Å; F63-A65 VanDerWaalsContact C-N 3.33Å; F63-A65 PolarHBondContact O-N 3.07Å; A65-T68 PolarHBondContact O-N 3.41Å; A65-D69 WeakPolarHBondContact O-CB 3.43Å; A65-D69 PolarHBondContact O-N 3.46Å |
| 66 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 177.1 | -177.7 | 147.1 | 0 | 0 | 0 | 112.2 | F19 I54 L55 G62 F63 D69 Y70 I97 | F19-L66 HydrophobicContact CE2-CG 4.31Å; F19-L66 WeakPolarHBondContact CE2-O 3.49Å; F19-L66 HydrophobicContact CZ-CD2 4.11Å; F19-L66 HydrophobicContact CZ-CG 4.21Å; I54-L66 HydrophobicContact CG2-CD1 3.78Å; L55-L66 HydrophobicContact CD2-CD1 4.1Å; L55-L66 HydrophobicContact CD2-CD2 4.42Å; L55-L66 HydrophobicContact CG-CD1 4.48Å; G62-L66 WeakPolarHBondContact O-CB 3.28Å; G62-L66 PolarHBondContact O-N 3Å; F63-L66 HydrophobicContact CD2-CD2 4.35Å; F63-L66 HydrophobicContact CE2-CD2 4.28Å; F63-L66 PolarHBondContact O-N 3.19Å; L66-D69 PolarHBondContact O-N 3.37Å; L66-Y70 PolarHBondContact O-N 2.91Å; L66-I97 HydrophobicContact CD2-CD1 4.16Å; L66-I97 HydrophobicContact CD2-CG1 4.31Å |
| 67 | L | 95.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.7 | -71.7 | 178.3 | 0 | 0 | 0 | 111.7 | F63 D64 D69 Y70 I71 L114 K117 L131 | F63-L67 HydrophobicContact CD1-CD1 4.07Å; F63-L67 HydrophobicContact CD1-CG 4.48Å; F63-L67 HydrophobicContact CE1-CD1 3.6Å; F63-L67 HydrophobicContact CE1-CG 4.11Å; F63-L67 HydrophobicContact CE2-CD2 4.25Å; F63-L67 HydrophobicContact CE2-CG 4.2Å; F63-L67 HydrophobicContact CZ-CD1 3.87Å; F63-L67 HydrophobicContact CZ-CD2 3.96Å; F63-L67 HydrophobicContact CZ-CG 3.94Å; F63-L67 WeakPolarHBondContact O-CG 3.34Å; F63-L67 PolarHBondContact O-N 3.18Å; D64-L67 PolarHBondContact O-N 2.9Å; L67-D69 VanDerWaalsContact C-N 3.31Å; L67-D69 PolarHBondContact O-N 2.93Å; L67-Y70 WeakPolarHBondContact O-CB 3.38Å; L67-Y70 PolarHBondContact O-N 3.03Å; L67-I71 WeakPolarHBondContact O-CG1 3.47Å; L67-I71 PolarHBondContact O-N 3.21Å; L67-L114 HydrophobicContact CD1-CB 4.3Å; L67-K117 HydrophobicContact CB-CG 4.46Å; L67-K117 HydrophobicContact CD1-CB 4.16Å; L67-K117 HydrophobicContact CD1-CG 4.15Å; L67-L131 HydrophobicContact CD2-CD1 4.15Å |
| 68 | T | 95 | Very high | 90 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | D64 A65 I71 A72 K117 | D64-T68 WeakPolarHBondContact O-CB 3.29Å; D64-T68 PolarHBondContact O-N 2.99Å; D64-T68 PolarHBondContact O-OG1 3.39Å; A65-T68 PolarHBondContact O-N 3.41Å; T68-I71 PolarHBondContact O-N 3.49Å; T68-A72 WeakPolarHBondContact O-CB 3.42Å; T68-A72 PolarHBondContact O-N 2.9Å; T68-K117 PolarHBondContact OG1-NZ 3.5Å; T68-K117 VanDerWaalsContact OG1-NZ 3.11Å |
| 69 | D | 93.8 | Very high | 88 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 174.2 | -103 | -2.2 | 0 | 0 | 0 | 112.5 | N17 I18 F19 A65 L66 L67 F73 | N17-D69 WeakPolarHBondContact CA-OD2 3.49Å; N17-D69 VanDerWaalsContact ND2-CA 3.3Å; N17-D69 WeakPolarHBondContact ND2-CA 3.44Å; N17-D69 WeakPolarHBondContact ND2-CB 3.3Å; N17-D69 PolarHBondContact ND2-O 3.41Å; N17-D69 PolarHBondContact ND2-OD1 2.66Å; I18-D69 WeakPolarHBondContact CG1-OD2 3.47Å; I18-D69 PolarHBondContact N-OD2 3.06Å; F19-D69 HydrophobicContact CD2-CB 4.12Å; F19-D69 HydrophobicContact CE2-CB 4.19Å; A65-D69 WeakPolarHBondContact O-CB 3.43Å; A65-D69 PolarHBondContact O-N 3.46Å; L66-D69 PolarHBondContact O-N 3.37Å; L67-D69 VanDerWaalsContact C-N 3.31Å; L67-D69 PolarHBondContact O-N 2.93Å; D69-F73 VanDerWaalsContact O-CB 3.23Å; D69-F73 WeakPolarHBondContact O-CB 3.32Å; D69-F73 PolarHBondContact O-N 3.25Å |
| 70 | Y | 93.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 176.8 | 176.3 | -101.1 | 0 | 0 | 0 | 111.5 | F19 L66 L67 F73 V74 T90 C93 V94 I97 N128 L129 L131 | F19-Y70 HydrophobicContact CD1-CD2 4.29Å; F19-Y70 AromaticContact CE1-CD2 3.92Å; F19-Y70 HydrophobicContact CE1-CD2 3.92Å; F19-Y70 VanDerWaalsContact CE2-CA 3.49Å; F19-Y70 VanDerWaalsContact CE2-CB 3.49Å; F19-Y70 HydrophobicContact CE2-CD2 4.28Å; F19-Y70 HydrophobicContact CE2-CG 4.39Å; F19-Y70 AromaticContact CZ-CD2 3.92Å; F19-Y70 HydrophobicContact CZ-CD2 3.92Å; F19-Y70 HydrophobicContact CZ-CG 4.28Å; L66-Y70 PolarHBondContact O-N 2.91Å; L67-Y70 WeakPolarHBondContact O-CB 3.38Å; L67-Y70 PolarHBondContact O-N 3.03Å; Y70-F73 WeakPolarHBondContact O-CB 3.41Å; Y70-F73 PolarHBondContact O-N 3.46Å; Y70-V74 HydrophobicContact CD1-CG2 4.45Å; Y70-V74 HydrophobicContact CD2-CG2 4.27Å; Y70-V74 HydrophobicContact CE1-CG2 3.91Å; Y70-V74 HydrophobicContact CE2-CG2 3.73Å; Y70-V74 WeakPolarHBondContact O-CG2 3.48Å; Y70-V74 PolarHBondContact O-N 3.29Å; Y70-T90 HydrophobicContact CE2-CG2 4.26Å; Y70-T90 WeakPolarHBondContact OH-CG2 3.25Å; Y70-C93 HydrophobicContact CE2-CB 4.28Å; Y70-V94 HydrophobicContact CE2-CG2 4.25Å; Y70-V94 WeakPolarHBondContact OH-CG2 3.26Å; Y70-I97 HydrophobicContact CD2-CD1 4.32Å; Y70-I97 HydrophobicContact CG-CD1 4.46Å; Y70-N128 PolarHBondContact OH-O 3.27Å; Y70-L129 HydrophobicContact CD1-CD2 4.23Å; Y70-L129 HydrophobicContact CE1-CD2 3.86Å; Y70-L131 HydrophobicContact CD1-CD1 4.44Å; Y70-L131 HydrophobicContact CE1-CD1 4.32Å; Y70-L131 HydrophobicContact CE1-CD2 3.68Å; Y70-L131 HydrophobicContact CE1-CG 4.29Å |
| 71 | I | 92.5 | Very high | 85 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -52.6 | 178.6 | -68.4 | 164.8 | 0 | 0 | 0 | 109.8 | L67 T68 F73 V74 E75 K117 L129 | L67-I71 WeakPolarHBondContact O-CG1 3.47Å; L67-I71 PolarHBondContact O-N 3.21Å; T68-I71 PolarHBondContact O-N 3.49Å; I71-F73 PolarHBondContact O-N 3.03Å; I71-V74 PolarHBondContact O-N 2.76Å; I71-V74 VanDerWaalsContact O-N 3.17Å; I71-E75 HydrophobicContact CG2-CG 4.35Å; I71-E75 WeakPolarHBondContact O-CG 3.49Å; I71-E75 PolarHBondContact O-N 2.9Å; I71-K117 HydrophobicContact CD1-CB 4.34Å; I71-L129 HydrophobicContact CB-CD2 4.32Å; I71-L129 HydrophobicContact CG1-CD2 4.08Å; I71-L129 HydrophobicContact CG2-CD1 4.37Å; I71-L129 HydrophobicContact CG2-CD2 4.47Å |
| 72 | A | 91.1 | Very high | 83.9 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -32.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T68 K76 | T68-A72 WeakPolarHBondContact O-CB 3.42Å; T68-A72 PolarHBondContact O-N 2.9Å; A72-K76 VanDerWaalsContact O-CB 3.29Å; A72-K76 WeakPolarHBondContact O-CB 3.41Å; A72-K76 WeakPolarHBondContact O-CD 3.43Å; A72-K76 VanDerWaalsContact O-CG 3.24Å; A72-K76 WeakPolarHBondContact O-CG 3.42Å; A72-K76 PolarHBondContact O-N 2.88Å |
| 73 | F | 89.6 | Confident | 82.8 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.8 | -52.1 | 174.4 | 168.8 | -98.4 | 0 | 0 | 0 | 111.2 | F19 L23 D69 Y70 I71 E75 K76 S77 F89 | F19-F73 HydrophobicContact CB-CB 3.9Å; F19-F73 HydrophobicContact CB-CD1 4.01Å; F19-F73 HydrophobicContact CB-CD2 3.76Å; F19-F73 HydrophobicContact CB-CE2 4.32Å; F19-F73 HydrophobicContact CB-CG 3.6Å; F19-F73 HydrophobicContact CG-CB 4.44Å; F19-F73 HydrophobicContact CG-CG 4.4Å; L23-F73 HydrophobicContact CD1-CE2 3.85Å; L23-F73 HydrophobicContact CD1-CZ 3.74Å; D69-F73 VanDerWaalsContact O-CB 3.23Å; D69-F73 WeakPolarHBondContact O-CB 3.32Å; D69-F73 PolarHBondContact O-N 3.25Å; Y70-F73 WeakPolarHBondContact O-CB 3.41Å; Y70-F73 PolarHBondContact O-N 3.46Å; I71-F73 PolarHBondContact O-N 3.03Å; F73-E75 PolarHBondContact O-N 3.14Å; F73-K76 PolarHBondContact O-N 3.44Å; F73-S77 WeakPolarHBondContact O-CA 3.43Å; F73-S77 WeakPolarHBondContact O-CB 3.33Å; F73-S77 PolarHBondContact O-N 3.34Å; F73-S77 PolarHBondContact O-OG 3.2Å; F73-F89 AromaticContact CE1-CD1 3.75Å; F73-F89 HydrophobicContact CE1-CD1 3.75Å; F73-F89 AromaticContact CE1-CE1 3.65Å; F73-F89 HydrophobicContact CE1-CE1 3.65Å; F73-F89 HydrophobicContact CE2-CE1 4.29Å; F73-F89 AromaticContact CZ-CD1 3.65Å; F73-F89 HydrophobicContact CZ-CD1 3.65Å; F73-F89 AromaticContact CZ-CE1 3.52Å; F73-F89 HydrophobicContact CZ-CE1 3.52Å |
| 74 | V | 88.3 | Confident | 81.8 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | -177.2 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | Y70 I71 K76 S77 T90 N128 L129 | Y70-V74 HydrophobicContact CD1-CG2 4.45Å; Y70-V74 HydrophobicContact CD2-CG2 4.27Å; Y70-V74 HydrophobicContact CE1-CG2 3.91Å; Y70-V74 HydrophobicContact CE2-CG2 3.73Å; Y70-V74 WeakPolarHBondContact O-CG2 3.48Å; Y70-V74 PolarHBondContact O-N 3.29Å; I71-V74 PolarHBondContact O-N 2.76Å; I71-V74 VanDerWaalsContact O-N 3.17Å; V74-K76 VanDerWaalsContact C-N 3.29Å; V74-K76 PolarHBondContact O-N 3.04Å; V74-S77 PolarHBondContact O-OG 3.24Å; V74-T90 HydrophobicContact CG2-CG2 4.17Å; V74-N128 HydrophobicContact CG1-CB 4.01Å; V74-L129 HydrophobicContact CB-CD2 3.63Å; V74-L129 HydrophobicContact CB-CG 4.28Å; V74-L129 HydrophobicContact CG1-CD1 4.49Å; V74-L129 HydrophobicContact CG1-CD2 3.78Å; V74-L129 HydrophobicContact CG1-CG 3.89Å; V74-L129 HydrophobicContact CG2-CD2 4.02Å |
| 75 | E | 86.9 | Confident | 81 | Confident | 114 Ų | 114 | 56.8 Ų | 56.8 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -32 | 176.8 | -70 | 177.4 | 154 | 0 | 0 | 112.9 | I71 F73 Y121 L129 | I71-E75 HydrophobicContact CG2-CG 4.35Å; I71-E75 WeakPolarHBondContact O-CG 3.49Å; I71-E75 PolarHBondContact O-N 2.9Å; F73-E75 PolarHBondContact O-N 3.14Å; E75-Y121 PolarHBondContact OE1-OH 3.5Å; E75-Y121 VanDerWaalsContact OE1-OH 3.12Å; E75-L129 HydrophobicContact CG-CD1 4.05Å |
| 76 | K | 80.1 | Confident | 80.2 | Confident | 127 Ų | 127 | 54.9 Ų | 54.9 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -100.5 | -13.1 | -175.3 | -64.7 | 176.7 | -177 | 173.9 | 0 | 114.1 | A72 F73 V74 G78 | A72-K76 VanDerWaalsContact O-CB 3.29Å; A72-K76 WeakPolarHBondContact O-CB 3.41Å; A72-K76 WeakPolarHBondContact O-CD 3.43Å; A72-K76 VanDerWaalsContact O-CG 3.24Å; A72-K76 WeakPolarHBondContact O-CG 3.42Å; A72-K76 PolarHBondContact O-N 2.88Å; F73-K76 PolarHBondContact O-N 3.44Å; V74-K76 VanDerWaalsContact C-N 3.29Å; V74-K76 PolarHBondContact O-N 3.04Å; K76-G78 VanDerWaalsContact C-N 3.25Å; K76-G78 PolarHBondContact O-N 3.37Å |
| 77 | S | 65.1 | Low | 79.5 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -73.9 | -12.4 | -170.5 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | F73 V74 Y79 N86 | F73-S77 WeakPolarHBondContact O-CA 3.43Å; F73-S77 WeakPolarHBondContact O-CB 3.33Å; F73-S77 PolarHBondContact O-N 3.34Å; F73-S77 PolarHBondContact O-OG 3.2Å; V74-S77 PolarHBondContact O-OG 3.24Å; S77-Y79 PolarHBondContact O-N 3.17Å; S77-N86 PolarHBondContact O-ND2 3Å |
| 78 | G | 56.1 | Low | 78.9 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -57.9 | -4.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | K76 | K76-G78 VanDerWaalsContact C-N 3.25Å; K76-G78 PolarHBondContact O-N 3.37Å |
| 79 | Y | 52.7 | Low | 78.5 | Confident | 211 Ų | 211 | 58.1 Ų | 58.1 | 83% | 0.827 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -129.4 | 1 | -169.8 | -60.7 | -76.9 | 0 | 0 | 0 | 116.6 | S77 | S77-Y79 PolarHBondContact O-N 3.17Š|
| 80 | R | 60.9 | Low | 78.1 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 29% | 0.291 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -29.6 | -172.1 | -79.5 | -175.1 | 169.1 | -157.9 | -3.6 | 116.4 | T11 C13 | T11-R80 PolarHBondContact O-NE 3.48Å; T11-R80 PolarHBondContact O-NH2 3.03Å; C13-R80 VanDerWaalsContact N-NH2 3.12Å |
| 81 | F | 67.1 | Low | 77.8 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 21% | 0.211 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -139.7 | 170 | -172.5 | -59.1 | -75.7 | 0 | 0 | 0 | 111.7 | L23 V27 F85 N86 | L23-F81 HydrophobicContact CD1-CD2 4.07Å; L23-F81 HydrophobicContact CD1-CE2 4.1Å; L23-F81 HydrophobicContact CD2-CD2 3.64Å; L23-F81 HydrophobicContact CD2-CE1 4.06Å; L23-F81 HydrophobicContact CD2-CE2 3.05Å; L23-F81 HydrophobicContact CD2-CG 4.37Å; L23-F81 HydrophobicContact CD2-CZ 3.28Å; L23-F81 HydrophobicContact CG-CE2 4.21Å; V27-F81 HydrophobicContact CB-CE1 4.4Å; V27-F81 HydrophobicContact CG1-CE1 3.98Å; V27-F81 HydrophobicContact CG2-CD1 4.33Å; V27-F81 HydrophobicContact CG2-CE1 3.78Å; V27-F81 HydrophobicContact CG2-CZ 4.13Å; F81-F85 HydrophobicContact CB-CD1 4.09Å; F81-F85 HydrophobicContact CG-CD1 4.38Å; F81-N86 PolarHBondContact O-ND2 3.05Å |
| 82 | E | 72.9 | Confident | 77.5 | Confident | 118 Ų | 118 | 60.9 Ų | 60.9 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | trans | -54.4 | 139.4 | 171.8 | -71.7 | -178.4 | 177.4 | 0 | 0 | 110.8 | S84 F85 N86 | E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.03Å; E82-F85 PolarHBondContact O-N 2.93Å; E82-N86 PolarHBondContact O-N 3.31Å; E82-N86 VanDerWaalsContact O-N 3.14Å | ||
| 83 | V | 74.1 | Confident | 77.5 | Confident | 112 Ų | 112 | 59.8 Ų | 59.8 | 68% | 0.679 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.9 | -42.3 | -174.8 | 177 | 0 | 0 | 0 | 0 | 111.2 | N86 L87 | V83-N86 PolarHBondContact O-N 3.35Å; V83-L87 HydrophobicContact CG1-CD1 4.08Å; V83-L87 HydrophobicContact CG1-CG 4.48Å; V83-L87 WeakPolarHBondContact O-CG 3.48Å; V83-L87 PolarHBondContact O-N 2.78Å |
| 84 | S | 76.2 | Confident | 77.6 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 47% | 0.469 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.4 | -49.7 | 177.2 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | E82 N86 L87 D88 | E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.03Å; S84-N86 PolarHBondContact O-N 3.34Å; S84-L87 PolarHBondContact O-N 3.15Å; S84-D88 PolarHBondContact O-N 3.18Å |
| 85 | F | 78.4 | Confident | 77.6 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 179.2 | 177 | -97.6 | 0 | 0 | 0 | 112.6 | L23 I26 V27 L35 Y43 F81 E82 L87 D88 F89 | L23-F85 HydrophobicContact CD1-CE1 4.13Å; L23-F85 HydrophobicContact CD2-CE1 4.23Å; L23-F85 HydrophobicContact CG-CE1 4.02Å; I26-F85 HydrophobicContact CG2-CZ 4.22Å; V27-F85 HydrophobicContact CG2-CE1 4.41Å; V27-F85 HydrophobicContact CG2-CZ 4.41Å; L35-F85 HydrophobicContact CD2-CD2 3.83Å; L35-F85 HydrophobicContact CD2-CE2 3.81Å; L35-F85 HydrophobicContact CD2-CG 4.36Å; L35-F85 HydrophobicContact CD2-CZ 4.33Å; Y43-F85 HydrophobicContact CD1-CE2 4.07Å; Y43-F85 AromaticContact CE1-CD2 3.95Å; Y43-F85 HydrophobicContact CE1-CD2 3.95Å; Y43-F85 AromaticContact CE1-CE2 3.65Å; Y43-F85 HydrophobicContact CE1-CE2 3.65Å; Y43-F85 HydrophobicContact CE2-CE2 4.25Å; Y43-F85 AromaticContact CZ-CD2 3.89Å; Y43-F85 AromaticContact CZ-CE2 3.73Å; F81-F85 HydrophobicContact CB-CD1 4.09Å; F81-F85 HydrophobicContact CG-CD1 4.38Å; E82-F85 PolarHBondContact O-N 2.93Å; F85-L87 VanDerWaalsContact C-N 3.32Å; F85-L87 PolarHBondContact O-N 3.07Å; F85-D88 PolarHBondContact O-N 3.16Å; F85-F89 WeakPolarHBondContact O-CB 3.48Å; F85-F89 PolarHBondContact O-N 3.22Å |
| 86 | N | 79.6 | Confident | 77.8 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 177.8 | -83 | -28.7 | 0 | 0 | 0 | 112.1 | S77 F81 E82 V83 S84 T90 | S77-N86 PolarHBondContact O-ND2 3Å; F81-N86 PolarHBondContact O-ND2 3.05Å; E82-N86 PolarHBondContact O-N 3.31Å; E82-N86 VanDerWaalsContact O-N 3.14Å; V83-N86 PolarHBondContact O-N 3.35Å; S84-N86 PolarHBondContact O-N 3.34Å; N86-T90 VanDerWaalsContact O-CB 3.28Å; N86-T90 WeakPolarHBondContact O-CB 3.31Å; N86-T90 PolarHBondContact O-N 3.16Å; N86-T90 PolarHBondContact O-OG1 2.68Å |
| 87 | L | 80.8 | Confident | 78.4 | Confident | 77 Ų | 77 | 49.2 Ų | 49.2 | 40% | 0.403 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -51 | 176 | -69.9 | 171.8 | 0 | 0 | 0 | 110.9 | V83 S84 F85 F89 T90 E91 | V83-L87 HydrophobicContact CG1-CD1 4.08Å; V83-L87 HydrophobicContact CG1-CG 4.48Å; V83-L87 WeakPolarHBondContact O-CG 3.48Å; V83-L87 PolarHBondContact O-N 2.78Å; S84-L87 PolarHBondContact O-N 3.15Å; F85-L87 VanDerWaalsContact C-N 3.32Å; F85-L87 PolarHBondContact O-N 3.07Å; L87-F89 VanDerWaalsContact C-N 3.35Å; L87-F89 PolarHBondContact O-N 3.26Å; L87-T90 PolarHBondContact O-N 3.15Å; L87-T90 VanDerWaalsContact O-N 3.13Å; L87-E91 PolarHBondContact O-N 2.8Å |
| 88 | D | 82.1 | Confident | 79.8 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 178.6 | -70.2 | -4.6 | 0 | 0 | 0 | 111.8 | Y43 S84 F85 T90 E91 I92 | Y43-D88 HydrophobicContact CE2-CB 4.5Å; Y43-D88 VanDerWaalsContact OH-CB 3.29Å; Y43-D88 WeakPolarHBondContact OH-CB 3.42Å; Y43-D88 PolarHBondContact OH-OD2 2.97Å; S84-D88 PolarHBondContact O-N 3.18Å; F85-D88 PolarHBondContact O-N 3.16Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 PolarHBondContact O-N 3.17Å; D88-E91 PolarHBondContact O-N 3.32Å; D88-I92 WeakPolarHBondContact O-CD1 3.45Å; D88-I92 VanDerWaalsContact O-CG1 3.25Å; D88-I92 WeakPolarHBondContact O-CG1 3.4Å; D88-I92 PolarHBondContact O-N 3.18Å |
| 89 | F | 86.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 176.8 | 179 | -90.5 | 0 | 0 | 0 | 111.2 | F19 L22 L23 I26 I47 F73 F85 L87 I92 C93 | F19-F89 HydrophobicContact CB-CE1 4.39Å; F19-F89 HydrophobicContact CD1-CE1 4.4Å; L22-F89 HydrophobicContact CB-CZ 4.37Å; L22-F89 HydrophobicContact CD2-CE2 4.28Å; L22-F89 HydrophobicContact CD2-CZ 4.16Å; L22-F89 HydrophobicContact CG-CE2 4.23Å; L22-F89 HydrophobicContact CG-CZ 4.31Å; L23-F89 HydrophobicContact CB-CE2 4.11Å; L23-F89 HydrophobicContact CB-CZ 4.06Å; L23-F89 HydrophobicContact CD1-CD1 4.28Å; L23-F89 HydrophobicContact CD1-CE1 4.37Å; L23-F89 HydrophobicContact CD1-CG 4.36Å; L23-F89 HydrophobicContact CG-CE2 4.44Å; I26-F89 HydrophobicContact CD1-CD2 4.2Å; I26-F89 HydrophobicContact CD1-CE2 3.88Å; I47-F89 HydrophobicContact CD1-CD2 3.4Å; I47-F89 VanDerWaalsContact CD1-CD2 3.4Å; I47-F89 HydrophobicContact CD1-CE2 3.71Å; I47-F89 HydrophobicContact CD1-CG 4.35Å; I47-F89 HydrophobicContact CG1-CD2 4.21Å; I47-F89 HydrophobicContact CG1-CE2 4.01Å; F73-F89 AromaticContact CE1-CD1 3.75Å; F73-F89 HydrophobicContact CE1-CD1 3.75Å; F73-F89 AromaticContact CE1-CE1 3.65Å; F73-F89 HydrophobicContact CE1-CE1 3.65Å; F73-F89 HydrophobicContact CE2-CE1 4.29Å; F73-F89 AromaticContact CZ-CD1 3.65Å; F73-F89 HydrophobicContact CZ-CD1 3.65Å; F73-F89 AromaticContact CZ-CE1 3.52Å; F73-F89 HydrophobicContact CZ-CE1 3.52Å; F85-F89 WeakPolarHBondContact O-CB 3.48Å; F85-F89 PolarHBondContact O-N 3.22Å; L87-F89 VanDerWaalsContact C-N 3.35Å; L87-F89 PolarHBondContact O-N 3.26Å; F89-I92 PolarHBondContact O-N 2.94Å; F89-C93 VanDerWaalsContact CE1-SG 3.54Å; F89-C93 PolarHBondContact O-N 3.33Å; F89-C93 PolarHBondContact O-SG 2.88Å |
| 90 | T | 87.3 | Confident | 83.2 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 179.7 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | Y70 V74 N86 L87 D88 I92 C93 V94 N128 | Y70-T90 HydrophobicContact CE2-CG2 4.26Å; Y70-T90 WeakPolarHBondContact OH-CG2 3.25Å; V74-T90 HydrophobicContact CG2-CG2 4.17Å; N86-T90 VanDerWaalsContact O-CB 3.28Å; N86-T90 WeakPolarHBondContact O-CB 3.31Å; N86-T90 PolarHBondContact O-N 3.16Å; N86-T90 PolarHBondContact O-OG1 2.68Å; L87-T90 PolarHBondContact O-N 3.15Å; L87-T90 VanDerWaalsContact O-N 3.13Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 PolarHBondContact O-N 3.17Å; T90-I92 PolarHBondContact O-N 2.71Å; T90-C93 WeakPolarHBondContact O-CB 3.4Å; T90-C93 PolarHBondContact O-N 2.95Å; T90-V94 HydrophobicContact CG2-CG2 4.34Å; T90-V94 VanDerWaalsContact O-CG2 3.28Å; T90-V94 WeakPolarHBondContact O-CG2 3.49Å; T90-V94 PolarHBondContact O-N 2.81Å; T90-N128 HydrophobicContact CG2-CB 4.04Å |
| 91 | E | 86.4 | Confident | 84.8 | Confident | 97 Ų | 97 | 35 Ų | 35 | 45% | 0.453 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 176.9 | -77.2 | -164.3 | 151.7 | 0 | 0 | 112.8 | L87 D88 C93 V94 N95 R134 | L87-E91 PolarHBondContact O-N 2.8Å; D88-E91 PolarHBondContact O-N 3.32Å; E91-C93 VanDerWaalsContact C-N 3.32Å; E91-C93 PolarHBondContact O-N 3.12Å; E91-V94 PolarHBondContact O-N 3.37Å; E91-N95 VanDerWaalsContact O-CB 3.29Å; E91-N95 WeakPolarHBondContact O-CB 3.43Å; E91-N95 PolarHBondContact O-N 3.1Å; E91-R134 IonicContact OE1-NH2 2.76Å; E91-R134 PolarHBondContact OE1-NH2 3.28Å |
| 92 | I | 86.7 | Confident | 85.9 | Confident | 16 Ų | 16 | 32.7 Ų | 32.7 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.8 | -61.9 | 158.4 | 0 | 0 | 0 | 110.4 | Y43 E44 I47 D88 F89 T90 T96 | Y43-I92 HydrophobicContact CD2-CD1 3.93Å; Y43-I92 HydrophobicContact CE2-CD1 3.59Å; E44-I92 HydrophobicContact CB-CD1 3.82Å; E44-I92 HydrophobicContact CB-CG1 4.39Å; E44-I92 HydrophobicContact CG-CD1 4.25Å; E44-I92 HydrophobicContact CG-CG1 4.27Å; E44-I92 HydrophobicContact CG-CG2 4.14Å; I47-I92 HydrophobicContact CB-CG2 3.81Å; I47-I92 HydrophobicContact CD1-CB 4.33Å; I47-I92 HydrophobicContact CD1-CD1 3.97Å; I47-I92 HydrophobicContact CD1-CG2 4.2Å; I47-I92 HydrophobicContact CG2-CB 4.27Å; I47-I92 HydrophobicContact CG2-CG2 3.55Å; D88-I92 WeakPolarHBondContact O-CD1 3.45Å; D88-I92 VanDerWaalsContact O-CG1 3.25Å; D88-I92 WeakPolarHBondContact O-CG1 3.4Å; D88-I92 PolarHBondContact O-N 3.18Å; F89-I92 PolarHBondContact O-N 2.94Å; T90-I92 PolarHBondContact O-N 2.71Å; I92-T96 WeakPolarHBondContact O-CB 3.4Å; I92-T96 PolarHBondContact O-N 3.21Å; I92-T96 PolarHBondContact O-OG1 3.04Å |
| 93 | C | 90.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -50 | 175.2 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | F19 L51 Y70 F89 T90 E91 T96 I97 | F19-C93 HydrophobicContact CD1-CB 4.36Å; F19-C93 HydrophobicContact CE1-CB 4.02Å; L51-C93 HydrophobicContact CD1-CB 4.06Å; Y70-C93 HydrophobicContact CE2-CB 4.28Å; F89-C93 VanDerWaalsContact CE1-SG 3.54Å; F89-C93 PolarHBondContact O-N 3.33Å; F89-C93 PolarHBondContact O-SG 2.88Å; T90-C93 WeakPolarHBondContact O-CB 3.4Å; T90-C93 PolarHBondContact O-N 2.95Å; E91-C93 VanDerWaalsContact C-N 3.32Å; E91-C93 PolarHBondContact O-N 3.12Å; C93-T96 PolarHBondContact O-N 3.18Å; C93-I97 VanDerWaalsContact O-CG1 3.28Å; C93-I97 WeakPolarHBondContact O-CG1 3.31Å; C93-I97 PolarHBondContact O-N 3.46Å |
| 94 | V | 90.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 179.7 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | Y70 T90 E91 T96 I97 L98 L131 R134 | Y70-V94 HydrophobicContact CE2-CG2 4.25Å; Y70-V94 WeakPolarHBondContact OH-CG2 3.26Å; T90-V94 HydrophobicContact CG2-CG2 4.34Å; T90-V94 VanDerWaalsContact O-CG2 3.28Å; T90-V94 WeakPolarHBondContact O-CG2 3.49Å; T90-V94 PolarHBondContact O-N 2.81Å; E91-V94 PolarHBondContact O-N 3.37Å; V94-T96 VanDerWaalsContact C-N 3.26Å; V94-T96 PolarHBondContact O-N 2.79Å; V94-I97 PolarHBondContact O-N 3.48Å; V94-L98 HydrophobicContact CG1-CD1 3.69Å; V94-L98 HydrophobicContact CG1-CG 4.16Å; V94-L98 WeakPolarHBondContact O-CB 3.47Å; V94-L98 WeakPolarHBondContact O-CG 3.37Å; V94-L98 PolarHBondContact O-N 2.61Å; V94-L131 HydrophobicContact CB-CD2 4.24Å; V94-L131 HydrophobicContact CG1-CD2 3.9Å; V94-L131 HydrophobicContact CG2-CD2 3.48Å; V94-L131 VanDerWaalsContact CG2-CD2 3.48Å; V94-R134 HydrophobicContact CG1-CB 3.5Å; V94-R134 HydrophobicContact CG1-CG 3.92Å |
| 95 | N | 89.3 | Confident | 87.8 | Confident | 42 Ų | 42 | 27.6 Ų | 27.6 | 23% | 0.225 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.7 | -44.1 | 178.2 | -172.9 | 6.1 | 0 | 0 | 0 | 110.7 | E91 Y99 F136 T137 | E91-N95 VanDerWaalsContact O-CB 3.29Å; E91-N95 WeakPolarHBondContact O-CB 3.43Å; E91-N95 PolarHBondContact O-N 3.1Å; N95-Y99 WeakPolarHBondContact O-CB 3.5Å; N95-Y99 PolarHBondContact O-N 3.32Å; N95-F136 WeakPolarHBondContact OD1-CA 3.32Å; N95-F136 VanDerWaalsContact OD1-CB 3.31Å; N95-F136 WeakPolarHBondContact OD1-CB 3.28Å; N95-T137 PolarHBondContact OD1-N 2.96Å |
| 96 | T | 90.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 178 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | Y48 L51 L55 I92 C93 V94 W100 | Y48-T96 HydrophobicContact CD2-CG2 3.66Å; Y48-T96 HydrophobicContact CE2-CG2 4.03Å; L51-T96 HydrophobicContact CB-CG2 3.7Å; L51-T96 HydrophobicContact CD1-CG2 4.38Å; L55-T96 HydrophobicContact CD1-CG2 4.08Å; I92-T96 WeakPolarHBondContact O-CB 3.4Å; I92-T96 PolarHBondContact O-N 3.21Å; I92-T96 PolarHBondContact O-OG1 3.04Å; C93-T96 PolarHBondContact O-N 3.18Å; V94-T96 VanDerWaalsContact C-N 3.26Å; V94-T96 PolarHBondContact O-N 2.79Å; T96-W100 VanDerWaalsContact O-CD1 3.3Å; T96-W100 PolarHBondContact O-N 3.33Å; T96-W100 VanDerWaalsContact O-N 3.08Å |
| 97 | I | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -53.4 | 178.2 | -69 | 164.9 | 0 | 0 | 0 | 110.1 | F19 L55 F63 L66 Y70 C93 V94 Y99 W100 V101 L114 | F19-I97 HydrophobicContact CE1-CD1 4.49Å; F19-I97 HydrophobicContact CZ-CD1 4.21Å; L55-I97 HydrophobicContact CD1-CG1 4.36Å; F63-I97 HydrophobicContact CE2-CG2 4.27Å; F63-I97 HydrophobicContact CZ-CG2 4.36Å; L66-I97 HydrophobicContact CD2-CD1 4.16Å; L66-I97 HydrophobicContact CD2-CG1 4.31Å; Y70-I97 HydrophobicContact CD2-CD1 4.32Å; Y70-I97 HydrophobicContact CG-CD1 4.46Å; C93-I97 VanDerWaalsContact O-CG1 3.28Å; C93-I97 WeakPolarHBondContact O-CG1 3.31Å; C93-I97 PolarHBondContact O-N 3.46Å; V94-I97 PolarHBondContact O-N 3.48Å; I97-Y99 PolarHBondContact O-N 2.87Å; I97-W100 PolarHBondContact O-N 2.91Å; I97-V101 HydrophobicContact CG2-CG2 4.27Å; I97-V101 VanDerWaalsContact O-CG2 3.29Å; I97-V101 WeakPolarHBondContact O-CG2 3.41Å; I97-V101 PolarHBondContact O-N 2.9Å; I97-L114 HydrophobicContact CG2-CD1 4.26Å |
| 98 | L | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | -177.6 | -66.7 | 178.4 | 0 | 0 | 0 | 112.1 | V94 W100 V101 F102 L114 L131 R134 F136 P150 | V94-L98 HydrophobicContact CG1-CD1 3.69Å; V94-L98 HydrophobicContact CG1-CG 4.16Å; V94-L98 WeakPolarHBondContact O-CB 3.47Å; V94-L98 WeakPolarHBondContact O-CG 3.37Å; V94-L98 PolarHBondContact O-N 2.61Å; L98-W100 VanDerWaalsContact C-N 3.31Å; L98-W100 PolarHBondContact O-N 3.06Å; L98-V101 PolarHBondContact O-N 2.9Å; L98-F102 HydrophobicContact CB-CD2 4.5Å; L98-F102 HydrophobicContact CD2-CD2 4.18Å; L98-F102 HydrophobicContact CD2-CE2 3.86Å; L98-F102 WeakPolarHBondContact O-CB 3.38Å; L98-F102 WeakPolarHBondContact O-CD2 3.03Å; L98-F102 PolarHBondContact O-N 3.19Å; L98-L114 HydrophobicContact CD2-CD1 4.14Å; L98-L131 WeakPolarHBondContact CD1-O 3.42Å; L98-L131 HydrophobicContact CD2-CB 4.43Å; L98-R134 HydrophobicContact CD1-CB 4.08Å; L98-R134 WeakPolarHBondContact CD1-O 3.48Å; L98-F136 HydrophobicContact CB-CB 3.77Å; L98-F136 HydrophobicContact CB-CD1 3.9Å; L98-F136 HydrophobicContact CB-CG 3.82Å; L98-F136 HydrophobicContact CD1-CB 4.21Å; L98-F136 HydrophobicContact CD1-CD1 4.4Å; L98-P150 HydrophobicContact CD1-CG 4.3Å; L98-P150 HydrophobicContact CD2-CG 4.12Å |
| 99 | Y | 90.3 | Very high | 90.1 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 15% | 0.153 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -57.7 | -44.7 | 174.2 | 174.8 | -104.1 | 0 | 0 | 0 | 111.7 | Y48 N95 I97 A103 R104 F136 P138 | Y48-Y99 HydrophobicContact CE2-CD1 4.39Å; N95-Y99 WeakPolarHBondContact O-CB 3.5Å; N95-Y99 PolarHBondContact O-N 3.32Å; I97-Y99 PolarHBondContact O-N 2.87Å; Y99-A103 HydrophobicContact CD2-CB 3.74Å; Y99-A103 HydrophobicContact CE2-CB 3.91Å; Y99-A103 HydrophobicContact CG-CB 4.47Å; Y99-A103 CarbonylContact O-C 3.45Å; Y99-A103 VanDerWaalsContact O-CA 3.29Å; Y99-A103 WeakPolarHBondContact O-CA 3.21Å; Y99-A103 WeakPolarHBondContact O-CB 2.93Å; Y99-A103 PolarHBondContact O-N 2.71Å; Y99-R104 HydrophobicContact CD1-CG 3.96Å; Y99-R104 HydrophobicContact CE1-CG 3.42Å; Y99-R104 VanDerWaalsContact CE1-CG 3.42Å; Y99-R104 PolarHBondContact O-N 3.41Å; Y99-R104 VanDerWaalsContact O-N 3.15Å; Y99-F136 HydrophobicContact CD2-CD2 4.41Å; Y99-F136 HydrophobicContact CD2-CE2 4.41Å; Y99-P138 WeakPolarHBondContact CE2-O 3.09Å |
| 100 | W | 91.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -70.4 | -41.5 | 179.6 | -88.4 | 94.5 | 0 | 0 | 0 | 112.9 | A52 L55 R56 T96 I97 L98 R104 K105 | A52-W100 HydrophobicContact CB-CZ2 3.92Å; A52-W100 VanDerWaalsContact CB-NE1 3.31Å; L55-W100 HydrophobicContact CB-CB 3.9Å; L55-W100 HydrophobicContact CB-CD2 4.02Å; L55-W100 HydrophobicContact CB-CE3 4.5Å; L55-W100 HydrophobicContact CB-CG 3.72Å; L55-W100 HydrophobicContact CD1-CB 3.92Å; L55-W100 HydrophobicContact CD1-CG 3.98Å; L55-W100 HydrophobicContact CG-CB 4.37Å; L55-W100 HydrophobicContact CG-CG 4.47Å; R56-W100 HydrophobicContact CB-CH2 3.63Å; R56-W100 HydrophobicContact CB-CZ2 4.26Å; R56-W100 HydrophobicContact CB-CZ3 3.89Å; R56-W100 HydrophobicContact CG-CH2 3.87Å; R56-W100 HydrophobicContact CG-CZ3 4.16Å; T96-W100 VanDerWaalsContact O-CD1 3.3Å; T96-W100 PolarHBondContact O-N 3.33Å; T96-W100 VanDerWaalsContact O-N 3.08Å; I97-W100 PolarHBondContact O-N 2.91Å; L98-W100 VanDerWaalsContact C-N 3.31Å; L98-W100 PolarHBondContact O-N 3.06Å; W100-R104 HydrophobicContact CD2-CB 3.99Å; W100-R104 HydrophobicContact CD2-CG 4.1Å; W100-R104 HydrophobicContact CE3-CB 3.46Å; W100-R104 VanDerWaalsContact CE3-CB 3.46Å; W100-R104 HydrophobicContact CE3-CG 4Å; W100-R104 HydrophobicContact CZ3-CB 3.8Å; W100-R104 HydrophobicContact CZ3-CG 4.26Å; W100-R104 PolarHBondContact O-N 2.91Å; W100-K105 WeakPolarHBondContact O-CB 3.3Å; W100-K105 PolarHBondContact O-N 3.26Å |
| 101 | V | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -64.5 | -56.3 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | F63 I97 L98 G106 F110 V111 L114 | F63-V101 HydrophobicContact CE1-CG2 4.21Å; F63-V101 HydrophobicContact CE2-CG2 3.94Å; F63-V101 HydrophobicContact CZ-CG2 3.45Å; F63-V101 VanDerWaalsContact CZ-CG2 3.45Å; I97-V101 HydrophobicContact CG2-CG2 4.27Å; I97-V101 VanDerWaalsContact O-CG2 3.29Å; I97-V101 WeakPolarHBondContact O-CG2 3.41Å; I97-V101 PolarHBondContact O-N 2.9Å; L98-V101 PolarHBondContact O-N 2.9Å; V101-G106 PolarHBondContact O-N 3.12Å; V101-F110 HydrophobicContact CG1-CB 4.44Å; V101-V111 HydrophobicContact CG1-CG2 3.7Å; V101-L114 HydrophobicContact CG2-CD1 4.36Å |
| 102 | F | 91.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -86.8 | -38.7 | -171.3 | -71.4 | -82.3 | 0 | 0 | 0 | 113.4 | L98 V111 I132 F136 P150 Y153 V154 Q159 I162 L166 | L98-F102 HydrophobicContact CB-CD2 4.5Å; L98-F102 HydrophobicContact CD2-CD2 4.18Å; L98-F102 HydrophobicContact CD2-CE2 3.86Å; L98-F102 WeakPolarHBondContact O-CB 3.38Å; L98-F102 WeakPolarHBondContact O-CD2 3.03Å; L98-F102 PolarHBondContact O-N 3.19Å; F102-V111 HydrophobicContact CD1-CG2 4.16Å; F102-V111 HydrophobicContact CE1-CB 4.45Å; F102-V111 HydrophobicContact CE1-CG1 3.82Å; F102-V111 HydrophobicContact CE1-CG2 3.73Å; F102-V111 HydrophobicContact CZ-CG1 3.81Å; F102-V111 HydrophobicContact CZ-CG2 4.03Å; F102-I132 HydrophobicContact CE2-CD1 4.45Å; F102-I132 HydrophobicContact CZ-CD1 3.87Å; F102-F136 HydrophobicContact CB-CE1 4.39Å; F102-F136 HydrophobicContact CB-CZ 3.96Å; F102-P150 HydrophobicContact CD1-CB 4.3Å; F102-P150 HydrophobicContact CD2-CB 4.1Å; F102-P150 HydrophobicContact CD2-CG 4.27Å; F102-P150 HydrophobicContact CE1-CB 3.88Å; F102-P150 HydrophobicContact CE2-CB 3.68Å; F102-P150 HydrophobicContact CE2-CG 3.89Å; F102-P150 HydrophobicContact CG-CB 4.41Å; F102-P150 HydrophobicContact CZ-CB 3.56Å; F102-P150 HydrophobicContact CZ-CG 4.25Å; F102-Y153 HydrophobicContact CB-CD1 3.77Å; F102-Y153 HydrophobicContact CB-CE1 3.83Å; F102-Y153 VanDerWaalsContact O-CE1 3.24Å; F102-Y153 WeakPolarHBondContact O-CE1 3.31Å; F102-V154 HydrophobicContact CD1-CG2 3.57Å; F102-V154 HydrophobicContact CE1-CG2 3.95Å; F102-Q159 PolarHBondContact O-NE2 3.02Å; F102-I162 HydrophobicContact CD1-CG2 4.16Å; F102-I162 HydrophobicContact CE1-CG2 3.92Å; F102-L166 HydrophobicContact CE1-CD1 4.37Å; F102-L166 HydrophobicContact CE1-CD2 4.39Å; F102-L166 HydrophobicContact CZ-CD2 4.44Å |
| 103 | A | 86.9 | Confident | 92.2 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -99.6 | -22.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y99 F136 Y153 R193 | Y99-A103 HydrophobicContact CD2-CB 3.74Å; Y99-A103 HydrophobicContact CE2-CB 3.91Å; Y99-A103 HydrophobicContact CG-CB 4.47Å; Y99-A103 CarbonylContact O-C 3.45Å; Y99-A103 VanDerWaalsContact O-CA 3.29Å; Y99-A103 WeakPolarHBondContact O-CA 3.21Å; Y99-A103 WeakPolarHBondContact O-CB 2.93Å; Y99-A103 PolarHBondContact O-N 2.71Å; A103-F136 HydrophobicContact CB-CE2 4.01Å; A103-Y153 WeakPolarHBondContact CA-OH 3.41Å; A103-Y153 HydrophobicContact CB-CE1 4.27Å; A103-Y153 HydrophobicContact CB-CE2 4.39Å; A103-R193 PolarHBondContact O-NH1 3.03Å |
| 104 | R | 87.4 | Confident | 92.5 | Very high | 121 Ų | 121 | 30 Ų | 30 | 46% | 0.457 | 15% | 0.149 | S | C | . | . | I | π-helix | trans | -111.6 | -45.8 | -178.7 | -65 | -66.5 | -64 | 150.1 | 1.8 | 114 | Y99 W100 | Y99-R104 HydrophobicContact CD1-CG 3.96Å; Y99-R104 HydrophobicContact CE1-CG 3.42Å; Y99-R104 VanDerWaalsContact CE1-CG 3.42Å; Y99-R104 PolarHBondContact O-N 3.41Å; Y99-R104 VanDerWaalsContact O-N 3.15Å; W100-R104 HydrophobicContact CD2-CB 3.99Å; W100-R104 HydrophobicContact CD2-CG 4.1Å; W100-R104 HydrophobicContact CE3-CB 3.46Å; W100-R104 VanDerWaalsContact CE3-CB 3.46Å; W100-R104 HydrophobicContact CE3-CG 4Å; W100-R104 HydrophobicContact CZ3-CB 3.8Å; W100-R104 HydrophobicContact CZ3-CG 4.26Å; W100-R104 PolarHBondContact O-N 2.91Å |
| 105 | K | 88.4 | Confident | 92.7 | Very high | 64 Ų | 64 | 29.8 Ų | 29.8 | 28% | 0.278 | 15% | 0.148 | S | C | . | . | I | π-helix | trans | -81.6 | -51.3 | 177 | -78.4 | -178.1 | 173.6 | -90.4 | 0 | 111.1 | L55 V58 W100 N107 F110 | L55-K105 WeakPolarHBondContact O-CE 3.1Å; V58-K105 PolarHBondContact O-NZ 3.17Å; W100-K105 WeakPolarHBondContact O-CB 3.3Å; W100-K105 PolarHBondContact O-N 3.26Å; K105-N107 PolarHBondContact O-N 2.93Å; K105-F110 HydrophobicContact CD-CD1 3.87Å; K105-F110 HydrophobicContact CD-CD2 4.39Å; K105-F110 HydrophobicContact CD-CE1 3.83Å; K105-F110 HydrophobicContact CD-CE2 4.34Å; K105-F110 HydrophobicContact CD-CG 4.16Å; K105-F110 HydrophobicContact CD-CZ 4.08Å; K105-F110 VanDerWaalsContact NZ-CZ 3.34Å |
| 106 | G | 84.6 | Confident | 93 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 27% | 0.268 | 16% | 0.164 | S | C | . | . | trans | 58.5 | 28.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | V101 I162 | V101-G106 PolarHBondContact O-N 3.12Å; G106-I162 VanDerWaalsContact C-CD1 3.47Å; G106-I162 WeakPolarHBondContact O-CD1 3.3Å | ||
| 107 | N | 92.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | trans | -96.8 | 125.5 | -179.6 | 179.8 | -43.6 | 0 | 0 | 0 | 109.4 | K105 D109 F110 V111 | K105-N107 PolarHBondContact O-N 2.93Å; N107-D109 VanDerWaalsContact C-N 3.33Å; N107-D109 PolarHBondContact O-N 3.46Å; N107-D109 WeakPolarHBondContact OD1-CB 3.44Å; N107-D109 PolarHBondContact OD1-N 3.21Å; N107-D109 PolarHBondContact OD1-OD2 2.73Å; N107-F110 HydrophobicContact CB-CD2 3.81Å; N107-F110 HydrophobicContact CB-CE2 4.49Å; N107-F110 PolarHBondContact O-N 2.77Å; N107-V111 PolarHBondContact O-N 3.3Å | ||
| 108 | P | 95.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 24% | 0.24 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.9 | -41.7 | 178 | -26.4 | 35 | 0 | 0 | 0 | 114.8 | F110 V111 E112 N161 I162 I165 | P108-F110 VanDerWaalsContact C-N 3.32Å; P108-F110 PolarHBondContact O-N 3.29Å; P108-V111 WeakPolarHBondContact O-CB 3.14Å; P108-V111 PolarHBondContact O-N 3.38Å; P108-E112 PolarHBondContact O-N 2.97Å; P108-N161 HydrophobicContact CG-CB 3.95Å; P108-I162 HydrophobicContact CB-CG1 4.4Å; P108-I162 HydrophobicContact CG-CG1 4.2Å; P108-I165 HydrophobicContact CB-CD1 3.47Å; P108-I165 VanDerWaalsContact CB-CD1 3.47Å; P108-I165 WeakPolarHBondContact O-CD1 3.43Å |
| 109 | D | 97.1 | Very high | 93 | Very high | 81 Ų | 81 | 39 Ų | 39 | 43% | 0.433 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.2 | -37.5 | -174.9 | -52.1 | -28.1 | 0 | 0 | 0 | 111.7 | L60 N107 V111 L113 | L60-D109 HydrophobicContact CD1-CB 3.82Å; L60-D109 HydrophobicContact CD2-CB 3.83Å; L60-D109 HydrophobicContact CG-CB 4.43Å; N107-D109 VanDerWaalsContact C-N 3.33Å; N107-D109 PolarHBondContact O-N 3.46Å; N107-D109 WeakPolarHBondContact OD1-CB 3.44Å; N107-D109 PolarHBondContact OD1-N 3.21Å; N107-D109 PolarHBondContact OD1-OD2 2.73Å; D109-V111 VanDerWaalsContact C-N 3.33Å; D109-L113 VanDerWaalsContact O-CB 3.31Å; D109-L113 WeakPolarHBondContact O-CB 3.29Å; D109-L113 PolarHBondContact O-N 3.32Å |
| 110 | F | 97.3 | Very high | 93 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.2 | -36 | 175.4 | -78.2 | -101.4 | 0 | 0 | 0 | 111.6 | V58 L60 F63 V101 K105 N107 P108 L114 | V58-F110 HydrophobicContact CG1-CE1 4.15Å; L60-F110 HydrophobicContact CD2-CD1 4.26Å; L60-F110 HydrophobicContact CD2-CD2 3.57Å; L60-F110 HydrophobicContact CD2-CE1 4.31Å; L60-F110 HydrophobicContact CD2-CE2 3.65Å; L60-F110 HydrophobicContact CD2-CG 3.9Å; L60-F110 HydrophobicContact CD2-CZ 4.02Å; L60-F110 HydrophobicContact CG-CD2 4.37Å; L60-F110 HydrophobicContact CG-CE2 3.97Å; L60-F110 HydrophobicContact CG-CZ 4.24Å; F63-F110 HydrophobicContact CB-CD1 3.99Å; F63-F110 HydrophobicContact CB-CE1 3.71Å; F63-F110 HydrophobicContact CD1-CB 4.47Å; F63-F110 AromaticContact CD1-CD1 3.51Å; F63-F110 HydrophobicContact CD1-CD1 3.51Å; F63-F110 HydrophobicContact CD1-CE1 4.15Å; F63-F110 HydrophobicContact CD1-CG 4.36Å; F63-F110 HydrophobicContact CD2-CD1 4.32Å; F63-F110 HydrophobicContact CE1-CB 4.39Å; F63-F110 HydrophobicContact CE1-CD1 4.05Å; F63-F110 WeakPolarHBondContact CE1-O 3.4Å; F63-F110 AromaticContact CG-CD1 3.67Å; F63-F110 HydrophobicContact CG-CD1 3.67Å; F63-F110 AromaticContact CG-CE1 3.9Å; F63-F110 HydrophobicContact CG-CE1 3.9Å; V101-F110 HydrophobicContact CG1-CB 4.44Å; K105-F110 HydrophobicContact CD-CD1 3.87Å; K105-F110 HydrophobicContact CD-CD2 4.39Å; K105-F110 HydrophobicContact CD-CE1 3.83Å; K105-F110 HydrophobicContact CD-CE2 4.34Å; K105-F110 HydrophobicContact CD-CG 4.16Å; K105-F110 HydrophobicContact CD-CZ 4.08Å; K105-F110 VanDerWaalsContact NZ-CZ 3.34Å; N107-F110 HydrophobicContact CB-CD2 3.81Å; N107-F110 HydrophobicContact CB-CE2 4.49Å; N107-F110 PolarHBondContact O-N 2.77Å; P108-F110 VanDerWaalsContact C-N 3.32Å; P108-F110 PolarHBondContact O-N 3.29Å; F110-L114 WeakPolarHBondContact O-CB 3.45Å; F110-L114 PolarHBondContact O-N 3.4Å |
| 111 | V | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.3 | -46 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | V101 F102 N107 P108 D109 L113 L114 L115 I162 I165 L166 | V101-V111 HydrophobicContact CG1-CG2 3.7Å; F102-V111 HydrophobicContact CD1-CG2 4.16Å; F102-V111 HydrophobicContact CE1-CB 4.45Å; F102-V111 HydrophobicContact CE1-CG1 3.82Å; F102-V111 HydrophobicContact CE1-CG2 3.73Å; F102-V111 HydrophobicContact CZ-CG1 3.81Å; F102-V111 HydrophobicContact CZ-CG2 4.03Å; N107-V111 PolarHBondContact O-N 3.3Å; P108-V111 WeakPolarHBondContact O-CB 3.14Å; P108-V111 PolarHBondContact O-N 3.38Å; D109-V111 VanDerWaalsContact C-N 3.33Å; V111-L113 VanDerWaalsContact C-N 3.33Å; V111-L113 PolarHBondContact O-N 3.32Å; V111-L114 PolarHBondContact O-N 3.02Å; V111-L115 HydrophobicContact CG1-CD1 4.01Å; V111-L115 HydrophobicContact CG1-CG 4.49Å; V111-L115 WeakPolarHBondContact O-CG 3.18Å; V111-L115 PolarHBondContact O-N 3.02Å; V111-I162 HydrophobicContact CB-CG2 4.44Å; V111-I162 HydrophobicContact CG1-CG2 4.16Å; V111-I162 HydrophobicContact CG2-CD1 4.09Å; V111-I162 HydrophobicContact CG2-CG1 4.07Å; V111-I162 HydrophobicContact CG2-CG2 3.94Å; V111-I165 HydrophobicContact CG1-CG2 4.26Å; V111-L166 HydrophobicContact CG1-CD2 4.12Å |
| 112 | E | 97 | Very high | 92.4 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 40% | 0.397 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 176.5 | -176.7 | 171.1 | -155.8 | 0 | 0 | 111.3 | P108 L114 L115 K116 I165 Y169 | P108-E112 PolarHBondContact O-N 2.97Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.3Å; E112-L115 PolarHBondContact O-N 3.23Å; E112-K116 WeakPolarHBondContact O-CB 3.2Å; E112-K116 PolarHBondContact O-N 3.49Å; E112-I165 HydrophobicContact CB-CD1 4.36Å; E112-I165 HydrophobicContact CB-CG2 4.21Å; E112-Y169 HydrophobicContact CG-CE2 4.33Å |
| 113 | L | 97.4 | Very high | 91.9 | Very high | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.4 | -174 | 56.3 | 0 | 0 | 0 | 112.3 | L60 F63 D64 D109 V111 L115 K116 K117 | L60-L113 HydrophobicContact CD2-CD2 4.31Å; L60-L113 WeakPolarHBondContact O-CD2 3.5Å; F63-L113 HydrophobicContact CD1-CD2 4.07Å; D64-L113 HydrophobicContact CB-CD2 4.02Å; D64-L113 WeakPolarHBondContact OD1-CD1 3.41Å; D109-L113 VanDerWaalsContact O-CB 3.31Å; D109-L113 WeakPolarHBondContact O-CB 3.29Å; D109-L113 PolarHBondContact O-N 3.32Å; V111-L113 VanDerWaalsContact C-N 3.33Å; V111-L113 PolarHBondContact O-N 3.32Å; L113-L115 PolarHBondContact O-N 3Å; L113-K116 PolarHBondContact O-N 2.82Å; L113-K117 HydrophobicContact CD1-CG 4.4Å; L113-K117 WeakPolarHBondContact O-CB 3.39Å; L113-K117 WeakPolarHBondContact O-CG 3.29Å; L113-K117 PolarHBondContact O-N 3.25Å |
| 114 | L | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 175 | 178.6 | 145.2 | 0 | 0 | 0 | 111.5 | F63 L67 I97 L98 V101 F110 V111 E112 T118 L131 | F63-L114 HydrophobicContact CE1-CB 4.27Å; F63-L114 HydrophobicContact CZ-CD1 4.34Å; L67-L114 HydrophobicContact CD1-CB 4.3Å; I97-L114 HydrophobicContact CG2-CD1 4.26Å; L98-L114 HydrophobicContact CD2-CD1 4.14Å; V101-L114 HydrophobicContact CG2-CD1 4.36Å; F110-L114 WeakPolarHBondContact O-CB 3.45Å; F110-L114 PolarHBondContact O-N 3.4Å; V111-L114 PolarHBondContact O-N 3.02Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.3Å; L114-T118 WeakPolarHBondContact O-CB 3.48Å; L114-T118 WeakPolarHBondContact O-CG2 3.41Å; L114-T118 PolarHBondContact O-N 3.48Å; L114-T118 VanDerWaalsContact O-N 3.12Å; L114-T118 PolarHBondContact O-OG1 3.4Å; L114-L131 HydrophobicContact CD1-CD1 4.15Å; L114-L131 HydrophobicContact CD2-CB 4.42Å; L114-L131 HydrophobicContact CG-CD1 4.4Å |
| 115 | L | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 178.6 | -68.8 | 166.7 | 0 | 0 | 0 | 111.3 | V111 E112 L113 K117 T118 K119 I132 I165 L166 Y169 I171 | V111-L115 HydrophobicContact CG1-CD1 4.01Å; V111-L115 HydrophobicContact CG1-CG 4.49Å; V111-L115 WeakPolarHBondContact O-CG 3.18Å; V111-L115 PolarHBondContact O-N 3.02Å; E112-L115 PolarHBondContact O-N 3.23Å; L113-L115 PolarHBondContact O-N 3Å; L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 3.43Å; L115-T118 CarbonylContact O-C 3.56Å; L115-T118 PolarHBondContact O-N 2.92Å; L115-T118 VanDerWaalsContact O-N 3.1Å; L115-K119 WeakPolarHBondContact O-CA 3.39Å; L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 PolarHBondContact O-N 2.79Å; L115-I132 HydrophobicContact CD2-CB 4.09Å; L115-I132 HydrophobicContact CD2-CD1 3.81Å; L115-I132 HydrophobicContact CD2-CG1 3.78Å; L115-I165 HydrophobicContact CD1-CG2 3.63Å; L115-L166 HydrophobicContact CD1-CD2 4.01Å; L115-L166 HydrophobicContact CD2-CD2 4.37Å; L115-Y169 HydrophobicContact CB-CD1 3.72Å; L115-Y169 HydrophobicContact CB-CD2 4.11Å; L115-Y169 HydrophobicContact CB-CE1 3.56Å; L115-Y169 HydrophobicContact CB-CE2 3.97Å; L115-Y169 HydrophobicContact CB-CG 3.97Å; L115-Y169 HydrophobicContact CD1-CD1 4.36Å; L115-Y169 HydrophobicContact CD1-CD2 3.51Å; L115-Y169 HydrophobicContact CD1-CE2 3.92Å; L115-Y169 HydrophobicContact CD1-CG 3.75Å; L115-Y169 HydrophobicContact CG-CD1 4.47Å; L115-Y169 HydrophobicContact CG-CD2 4.4Å; L115-Y169 HydrophobicContact CG-CG 4.3Å; L115-I171 HydrophobicContact CD2-CD1 4.39Å |
| 116 | K | 95.1 | Very high | 91.4 | Very high | 127 Ų | 127 | 52.5 Ų | 52.5 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56.7 | -42.7 | 178.3 | -174.4 | 176.2 | -178.7 | 175.6 | 0 | 112.2 | E112 L113 | E112-K116 WeakPolarHBondContact O-CB 3.2Å; E112-K116 PolarHBondContact O-N 3.49Å; L113-K116 PolarHBondContact O-N 2.82Å |
| 117 | K | 94.4 | Very high | 91.4 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 27% | 0.265 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.3 | -25.4 | 178.6 | -76.3 | -73.8 | -175.1 | 163.1 | 0 | 114 | D64 L67 T68 I71 L113 L115 | D64-K117 VanDerWaalsContact CG-NZ 3.27Å; D64-K117 WeakPolarHBondContact OD1-CE 3.35Å; D64-K117 IonicContact OD1-NZ 3.48Å; D64-K117 PolarHBondContact OD1-NZ 2.97Å; D64-K117 WeakPolarHBondContact OD2-CE 2.65Å; D64-K117 IonicContact OD2-NZ 3.01Å; D64-K117 PolarHBondContact OD2-NZ 3.49Å; L67-K117 HydrophobicContact CB-CG 4.46Å; L67-K117 HydrophobicContact CD1-CB 4.16Å; L67-K117 HydrophobicContact CD1-CG 4.15Å; T68-K117 PolarHBondContact OG1-NZ 3.5Å; T68-K117 VanDerWaalsContact OG1-NZ 3.11Å; I71-K117 HydrophobicContact CD1-CB 4.34Å; L113-K117 HydrophobicContact CD1-CG 4.4Å; L113-K117 WeakPolarHBondContact O-CB 3.39Å; L113-K117 WeakPolarHBondContact O-CG 3.29Å; L113-K117 PolarHBondContact O-N 3.25Å; L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 3.43Å |
| 118 | T | 92.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -111.3 | 2.6 | -173.9 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | L114 L115 D120 Y121 L131 | L114-T118 WeakPolarHBondContact O-CB 3.48Å; L114-T118 WeakPolarHBondContact O-CG2 3.41Å; L114-T118 PolarHBondContact O-N 3.48Å; L114-T118 VanDerWaalsContact O-N 3.12Å; L114-T118 PolarHBondContact O-OG1 3.4Å; L115-T118 CarbonylContact O-C 3.56Å; L115-T118 PolarHBondContact O-N 2.92Å; L115-T118 VanDerWaalsContact O-N 3.1Å; T118-D120 PolarHBondContact O-N 3.37Å; T118-D120 VanDerWaalsContact O-N 3.16Å; T118-Y121 PolarHBondContact O-N 3.36Å; T118-L131 HydrophobicContact CG2-CB 4.44Å; T118-L131 HydrophobicContact CG2-CD1 3.98Å; T118-L131 HydrophobicContact CG2-CG 4.1Å |
| 119 | K | 90.3 | Very high | 90.6 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -54.8 | -38.9 | -173.4 | 68.8 | 179 | -176.2 | 173.3 | 0 | 113.2 | L115 Y121 V122 N272 D276 | L115-K119 WeakPolarHBondContact O-CA 3.39Å; L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 PolarHBondContact O-N 2.79Å; K119-Y121 PolarHBondContact O-N 3.01Å; K119-V122 WeakPolarHBondContact O-CB 3.44Å; K119-V122 WeakPolarHBondContact O-CG2 3.33Å; K119-V122 PolarHBondContact O-N 3.11Å; K119-V122 VanDerWaalsContact O-N 3.15Å; K119-N272 PolarHBondContact O-ND2 2.98Å; K119-N272 PolarHBondContact O-OD1 3.42Å; K119-D276 IonicContact NZ-OD2 3.75Å; K119-D276 PolarHBondContact NZ-OD2 2.82Å |
| 120 | D | 90.1 | Very high | 90.1 | Very high | 110 Ų | 110 | 46.9 Ų | 46.9 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -67.6 | -17.3 | -177.9 | -60.2 | -34.5 | 0 | 0 | 0 | 113 | T118 N272 | T118-D120 PolarHBondContact O-N 3.37Å; T118-D120 VanDerWaalsContact O-N 3.16Å; D120-N272 WeakPolarHBondContact CA-ND2 3.46Å; D120-N272 PolarHBondContact OD1-ND2 3.45Å |
| 121 | Y | 89 | Confident | 89.7 | Confident | 57 Ų | 57 | 46.3 Ų | 46.3 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -97.8 | -9.9 | 178.2 | -51.1 | -68.7 | 0 | 0 | 0 | 113.2 | E75 T118 K119 Q123 D124 L129 A130 | E75-Y121 PolarHBondContact OE1-OH 3.5Å; E75-Y121 VanDerWaalsContact OE1-OH 3.12Å; T118-Y121 PolarHBondContact O-N 3.36Å; K119-Y121 PolarHBondContact O-N 3.01Å; Y121-Q123 PolarHBondContact O-N 3.24Å; Y121-D124 PolarHBondContact O-N 3.07Å; Y121-L129 HydrophobicContact CD1-CB 3.75Å; Y121-L129 HydrophobicContact CD1-CD1 3.9Å; Y121-L129 HydrophobicContact CD1-CG 4.45Å; Y121-L129 HydrophobicContact CD2-CB 3.5Å; Y121-L129 HydrophobicContact CD2-CD1 4.26Å; Y121-L129 HydrophobicContact CD2-CG 4.47Å; Y121-L129 HydrophobicContact CE1-CB 4.14Å; Y121-L129 HydrophobicContact CE1-CD1 3.43Å; Y121-L129 VanDerWaalsContact CE1-CD1 3.43Å; Y121-L129 HydrophobicContact CE1-CG 4.41Å; Y121-L129 HydrophobicContact CE2-CB 3.91Å; Y121-L129 HydrophobicContact CE2-CD1 3.83Å; Y121-L129 HydrophobicContact CE2-CG 4.43Å; Y121-L129 HydrophobicContact CG-CB 3.41Å; Y121-L129 VanDerWaalsContact CG-CB 3.41Å; Y121-L129 HydrophobicContact CG-CD1 4.29Å; Y121-L129 HydrophobicContact CG-CG 4.48Å; Y121-A130 WeakPolarHBondContact O-CB 3.37Å |
| 122 | V | 83.5 | Confident | 89.2 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.4 | -173.9 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | K119 I132 W133 I171 | K119-V122 WeakPolarHBondContact O-CB 3.44Å; K119-V122 WeakPolarHBondContact O-CG2 3.33Å; K119-V122 PolarHBondContact O-N 3.11Å; K119-V122 VanDerWaalsContact O-N 3.15Å; V122-I132 HydrophobicContact CG1-CG2 4.35Å; V122-I132 HydrophobicContact CG2-CG2 4.04Å; V122-W133 HydrophobicContact CG1-CZ2 3.91Å; V122-W133 PolarHBondContact O-NE1 3.49Å; V122-I171 HydrophobicContact CG1-CD1 4.03Å |
| 123 | Q | 81.1 | Confident | 88.8 | Confident | 97 Ų | 97 | 43.3 Ų | 43.3 | 45% | 0.453 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -37.5 | 178.4 | -61 | -70 | -3.5 | 0 | 0 | 112.5 | Y121 L269 | Y121-Q123 PolarHBondContact O-N 3.24Å; Q123-L269 PolarHBondContact NE2-O 2.66Å |
| 124 | D | 85.1 | Confident | 88.4 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | trans | -102.7 | 100.2 | -178.3 | 179.7 | 8.6 | 0 | 0 | 0 | 110.8 | Y121 S126 C127 A130 | Y121-D124 PolarHBondContact O-N 3.07Å; D124-S126 PolarHBondContact O-N 2.83Å; D124-S126 WeakPolarHBondContact OD1-CA 3.45Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 3.01Å; D124-S126 PolarHBondContact OD1-OG 3.23Å; D124-S126 PolarHBondContact OD2-OG 3.41Å; D124-C127 HydrophobicContact CB-CB 4.03Å; D124-C127 VanDerWaalsContact O-CB 3.26Å; D124-C127 WeakPolarHBondContact O-CB 3.43Å; D124-C127 PolarHBondContact O-N 3.32Å; D124-C127 VanDerWaalsContact O-N 3.07Å; D124-A130 WeakPolarHBondContact O-CB 3.4Å | ||
| 125 | R | 84.7 | Confident | 87.9 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.7 | 178.4 | -56.1 | -168.4 | -173.8 | -160.1 | 0.3 | 113.8 | W133 R174 | R125-W133 HydrophobicContact CB-CB 4.14Å; R125-W133 HydrophobicContact CB-CG 4.15Å; R125-W133 HydrophobicContact CG-CB 4.23Å; R125-W133 HydrophobicContact CG-CD2 3.97Å; R125-W133 HydrophobicContact CG-CG 3.74Å; R125-R174 PolarHBondContact NH2-O 3.04Å |
| 126 | S | 82.2 | Confident | 87.4 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 62% | 0.622 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.9 | 177.4 | 76.1 | 0 | 0 | 0 | 0 | 112.4 | D124 N128 | D124-S126 PolarHBondContact O-N 2.83Å; D124-S126 WeakPolarHBondContact OD1-CA 3.45Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 3.01Å; D124-S126 PolarHBondContact OD1-OG 3.23Å; D124-S126 PolarHBondContact OD2-OG 3.41Å; S126-N128 PolarHBondContact O-N 3.49Å |
| 127 | C | 85.3 | Confident | 86.8 | Confident | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -67.9 | 129.9 | 177.9 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | D124 L129 A130 | D124-C127 HydrophobicContact CB-CB 4.03Å; D124-C127 VanDerWaalsContact O-CB 3.26Å; D124-C127 WeakPolarHBondContact O-CB 3.43Å; D124-C127 PolarHBondContact O-N 3.32Å; D124-C127 VanDerWaalsContact O-N 3.07Å; C127-L129 PolarHBondContact O-N 2.98Å; C127-L129 PolarHBondContact SG-N 3.44Å; C127-A130 HydrophobicContact CB-CB 4.16Å; C127-A130 VanDerWaalsContact O-CB 3.29Å; C127-A130 WeakPolarHBondContact O-CB 3.1Å; C127-A130 PolarHBondContact O-N 3.07Å |
| 128 | N | 81.9 | Confident | 85.2 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 23% | 0.225 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.7 | 177.7 | -73.7 | -33.2 | 0 | 0 | 0 | 113.2 | Y70 V74 T90 S126 A130 | Y70-N128 PolarHBondContact OH-O 3.27Å; V74-N128 HydrophobicContact CG1-CB 4.01Å; T90-N128 HydrophobicContact CG2-CB 4.04Å; S126-N128 PolarHBondContact O-N 3.49Å; N128-A130 VanDerWaalsContact C-N 3.32Å |
| 129 | L | 88.4 | Confident | 83.7 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12.2 | 176.1 | -62.5 | 176.8 | 0 | 0 | 0 | 113 | Y70 I71 V74 E75 Y121 C127 L131 | Y70-L129 HydrophobicContact CD1-CD2 4.23Å; Y70-L129 HydrophobicContact CE1-CD2 3.86Å; I71-L129 HydrophobicContact CB-CD2 4.32Å; I71-L129 HydrophobicContact CG1-CD2 4.08Å; I71-L129 HydrophobicContact CG2-CD1 4.37Å; I71-L129 HydrophobicContact CG2-CD2 4.47Å; V74-L129 HydrophobicContact CB-CD2 3.63Å; V74-L129 HydrophobicContact CB-CG 4.28Å; V74-L129 HydrophobicContact CG1-CD1 4.49Å; V74-L129 HydrophobicContact CG1-CD2 3.78Å; V74-L129 HydrophobicContact CG1-CG 3.89Å; V74-L129 HydrophobicContact CG2-CD2 4.02Å; E75-L129 HydrophobicContact CG-CD1 4.05Å; Y121-L129 HydrophobicContact CD1-CB 3.75Å; Y121-L129 HydrophobicContact CD1-CD1 3.9Å; Y121-L129 HydrophobicContact CD1-CG 4.45Å; Y121-L129 HydrophobicContact CD2-CB 3.5Å; Y121-L129 HydrophobicContact CD2-CD1 4.26Å; Y121-L129 HydrophobicContact CD2-CG 4.47Å; Y121-L129 HydrophobicContact CE1-CB 4.14Å; Y121-L129 HydrophobicContact CE1-CD1 3.43Å; Y121-L129 VanDerWaalsContact CE1-CD1 3.43Å; Y121-L129 HydrophobicContact CE1-CG 4.41Å; Y121-L129 HydrophobicContact CE2-CB 3.91Å; Y121-L129 HydrophobicContact CE2-CD1 3.83Å; Y121-L129 HydrophobicContact CE2-CG 4.43Å; Y121-L129 HydrophobicContact CG-CB 3.41Å; Y121-L129 VanDerWaalsContact CG-CB 3.41Å; Y121-L129 HydrophobicContact CG-CD1 4.29Å; Y121-L129 HydrophobicContact CG-CG 4.48Å; C127-L129 PolarHBondContact O-N 2.98Å; C127-L129 PolarHBondContact SG-N 3.44Å; L129-L131 PolarHBondContact O-N 3.23Å |
| 130 | A | 87.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -80.5 | 58.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y121 D124 C127 N128 I132 W133 | Y121-A130 WeakPolarHBondContact O-CB 3.37Å; D124-A130 WeakPolarHBondContact O-CB 3.4Å; C127-A130 HydrophobicContact CB-CB 4.16Å; C127-A130 VanDerWaalsContact O-CB 3.29Å; C127-A130 WeakPolarHBondContact O-CB 3.1Å; C127-A130 PolarHBondContact O-N 3.07Å; N128-A130 VanDerWaalsContact C-N 3.32Å; A130-I132 PolarHBondContact O-N 3Å; A130-W133 PolarHBondContact O-N 3.02Å | ||
| 131 | L | 87.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -51.5 | -37.1 | -169.8 | -66.3 | -174.9 | 0 | 0 | 0 | 113 | L67 Y70 V94 L98 L114 T118 L129 W133 R134 | L67-L131 HydrophobicContact CD2-CD1 4.15Å; Y70-L131 HydrophobicContact CD1-CD1 4.44Å; Y70-L131 HydrophobicContact CE1-CD1 4.32Å; Y70-L131 HydrophobicContact CE1-CD2 3.68Å; Y70-L131 HydrophobicContact CE1-CG 4.29Å; V94-L131 HydrophobicContact CB-CD2 4.24Å; V94-L131 HydrophobicContact CG1-CD2 3.9Å; V94-L131 HydrophobicContact CG2-CD2 3.48Å; V94-L131 VanDerWaalsContact CG2-CD2 3.48Å; L98-L131 WeakPolarHBondContact CD1-O 3.42Å; L98-L131 HydrophobicContact CD2-CB 4.43Å; L114-L131 HydrophobicContact CD1-CD1 4.15Å; L114-L131 HydrophobicContact CD2-CB 4.42Å; L114-L131 HydrophobicContact CG-CD1 4.4Å; T118-L131 HydrophobicContact CG2-CB 4.44Å; T118-L131 HydrophobicContact CG2-CD1 3.98Å; T118-L131 HydrophobicContact CG2-CG 4.1Å; L129-L131 PolarHBondContact O-N 3.23Å; L131-W133 PolarHBondContact O-N 3.48Å; L131-R134 WeakPolarHBondContact O-CB 3.3Å; L131-R134 PolarHBondContact O-N 3.38Å |
| 132 | I | 88.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -65.3 | -21.7 | -177.5 | -160.5 | 66.1 | 0 | 0 | 0 | 114 | F102 L115 V122 A130 P150 L166 I171 | F102-I132 HydrophobicContact CE2-CD1 4.45Å; F102-I132 HydrophobicContact CZ-CD1 3.87Å; L115-I132 HydrophobicContact CD2-CB 4.09Å; L115-I132 HydrophobicContact CD2-CD1 3.81Å; L115-I132 HydrophobicContact CD2-CG1 3.78Å; V122-I132 HydrophobicContact CG1-CG2 4.35Å; V122-I132 HydrophobicContact CG2-CG2 4.04Å; A130-I132 PolarHBondContact O-N 3Å; I132-P150 HydrophobicContact CD1-CB 3.55Å; I132-P150 HydrophobicContact CD1-CG 3.91Å; I132-P150 HydrophobicContact CG1-CB 4.47Å; I132-P150 VanDerWaalsContact O-CD 3.3Å; I132-P150 WeakPolarHBondContact O-CD 3.45Å; I132-L166 HydrophobicContact CD1-CD2 3.53Å; I132-L166 HydrophobicContact CG1-CD2 4.26Å; I132-I171 HydrophobicContact CG1-CD1 4.06Å; I132-I171 HydrophobicContact CG1-CG1 4.28Å; I132-I171 HydrophobicContact CG1-CG2 4.44Å; I132-I171 HydrophobicContact CG2-CD1 3.95Å |
| 133 | W | 88.4 | Confident | 75.1 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 8% | 0.076 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -91.1 | -13.7 | 175.9 | -61 | 119.9 | 0 | 0 | 0 | 113.3 | V122 R125 A130 L131 I171 R174 | V122-W133 HydrophobicContact CG1-CZ2 3.91Å; V122-W133 PolarHBondContact O-NE1 3.49Å; R125-W133 HydrophobicContact CB-CB 4.14Å; R125-W133 HydrophobicContact CB-CG 4.15Å; R125-W133 HydrophobicContact CG-CB 4.23Å; R125-W133 HydrophobicContact CG-CD2 3.97Å; R125-W133 HydrophobicContact CG-CG 3.74Å; A130-W133 PolarHBondContact O-N 3.02Å; L131-W133 PolarHBondContact O-N 3.48Å; W133-I171 HydrophobicContact CH2-CG2 3.73Å; W133-I171 HydrophobicContact CZ2-CD1 4.22Å; W133-I171 HydrophobicContact CZ2-CG2 4.41Å; W133-I171 HydrophobicContact CZ3-CG2 4.05Å; W133-R174 HydrophobicContact CH2-CB 3.65Å; W133-R174 HydrophobicContact CZ2-CB 3.92Å; W133-R174 HydrophobicContact CZ2-CG 4.4Å |
| 134 | R | 88.4 | Confident | 73.3 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -75.7 | 140.5 | -179.5 | -57.4 | -62.9 | -62.8 | 170.1 | 2 | 109.1 | E91 V94 L98 L131 P150 | E91-R134 IonicContact OE1-NH2 2.76Å; E91-R134 PolarHBondContact OE1-NH2 3.28Å; V94-R134 HydrophobicContact CG1-CB 3.5Å; V94-R134 HydrophobicContact CG1-CG 3.92Å; L98-R134 HydrophobicContact CD1-CB 4.08Å; L98-R134 WeakPolarHBondContact CD1-O 3.48Å; L131-R134 WeakPolarHBondContact O-CB 3.3Å; L131-R134 PolarHBondContact O-N 3.38Å; R134-P150 VanDerWaalsContact O-CD 3.31Å; R134-P150 WeakPolarHBondContact O-CD 3.48Å |
| 135 | T | 86.1 | Confident | 71.2 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | trans | -83.9 | 147.7 | 177.5 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | I148 T149 | T135-I148 WeakPolarHBondContact CA-O 3.29Å; T135-T149 HydrophobicContact CG2-CG2 4.32Å | ||
| 136 | F | 86.1 | Confident | 69.8 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -131.4 | 158.3 | 172 | 77.7 | -80.7 | 0 | 0 | 0 | 110.3 | N95 L98 Y99 F102 A103 P138 G147 I148 P150 Y153 | N95-F136 WeakPolarHBondContact OD1-CA 3.32Å; N95-F136 VanDerWaalsContact OD1-CB 3.31Å; N95-F136 WeakPolarHBondContact OD1-CB 3.28Å; L98-F136 HydrophobicContact CB-CB 3.77Å; L98-F136 HydrophobicContact CB-CD1 3.9Å; L98-F136 HydrophobicContact CB-CG 3.82Å; L98-F136 HydrophobicContact CD1-CB 4.21Å; L98-F136 HydrophobicContact CD1-CD1 4.4Å; Y99-F136 HydrophobicContact CD2-CD2 4.41Å; Y99-F136 HydrophobicContact CD2-CE2 4.41Å; F102-F136 HydrophobicContact CB-CE1 4.39Å; F102-F136 HydrophobicContact CB-CZ 3.96Å; A103-F136 HydrophobicContact CB-CE2 4.01Å; F136-P138 HydrophobicContact CE2-CB 3.96Å; F136-P138 WeakPolarHBondContact O-CD 3.37Å; F136-G147 WeakPolarHBondContact O-CA 3.48Å; F136-I148 PolarHBondContact N-O 2.86Å; F136-I148 VanDerWaalsContact N-O 3.12Å; F136-I148 PolarHBondContact O-N 2.91Å; F136-I148 VanDerWaalsContact O-N 3.15Å; F136-P150 HydrophobicContact CE1-CG 4.49Å; F136-Y153 HydrophobicContact CE1-CD1 4.31Å; F136-Y153 HydrophobicContact CE1-CG 4.07Å; F136-Y153 HydrophobicContact CE2-CG 4.48Å; F136-Y153 AromaticContact CZ-CD1 3.65Å; F136-Y153 HydrophobicContact CZ-CD1 3.65Å; F136-Y153 AromaticContact CZ-CD2 4Å; F136-Y153 HydrophobicContact CZ-CD2 4Å; F136-Y153 HydrophobicContact CZ-CE1 4.26Å; F136-Y153 AromaticContact CZ-CG 3.49Å; F136-Y153 HydrophobicContact CZ-CG 3.49Å; F136-Y153 VanDerWaalsContact CZ-CG 3.49Å |
| 137 | T | 81.3 | Confident | 69.2 | Low | 27 Ų | 27 | 52.7 Ų | 52.7 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | trans | -102.6 | 105.7 | -177.1 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | N95 V139 S146 | N95-T137 PolarHBondContact OD1-N 2.96Å; T137-V139 WeakPolarHBondContact CG2-O 3.3Å; T137-V139 PolarHBondContact O-N 3.39Å; T137-S146 PolarHBondContact OG1-O 3.25Å | ||
| 138 | P | 61.7 | Low | 69.1 | Low | 26 Ų | 26 | 52.5 Ų | 52.5 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -76.6 | -7.3 | -171.1 | 33 | -40.5 | 0 | 0 | 0 | 114.3 | Y99 F136 I148 Y153 R193 | Y99-P138 WeakPolarHBondContact CE2-O 3.09Å; F136-P138 HydrophobicContact CE2-CB 3.96Å; F136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-I148 HydrophobicContact CB-CD1 4.4Å; P138-I148 HydrophobicContact CG-CD1 3.69Å; P138-I148 HydrophobicContact CG-CG1 4.24Å; P138-Y153 HydrophobicContact CB-CD2 4.07Å; P138-Y153 HydrophobicContact CB-CE2 4.01Å; P138-R193 VanDerWaalsContact CB-NH2 3.33Å; P138-R193 PolarHBondContact O-NH2 3.22Å; P138-R193 VanDerWaalsContact O-NH2 3.11Å |
| 139 | V | 59.6 | Low | 69.6 | Low | 78 Ų | 78 | 52 Ų | 52 | 47% | 0.473 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -141.8 | 122.1 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | T137 C141 | T137-V139 WeakPolarHBondContact CG2-O 3.3Å; T137-V139 PolarHBondContact O-N 3.39Å; V139-C141 PolarHBondContact O-N 3.43Å |
| 140 | Y | 51.1 | Low | 69.8 | Low | 133 Ų | 133 | 51.7 Ų | 51.7 | 52% | 0.522 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -59.6 | 113.9 | 172.7 | -90 | -84.7 | 0 | 0 | 0 | 109.1 | Y48 | Y48-Y140 VanDerWaalsContact CD1-OH 3.29Å; Y48-Y140 WeakPolarHBondContact CD1-OH 3.35Å; Y48-Y140 WeakPolarHBondContact CD2-OH 3.45Å; Y48-Y140 AromaticContact CE1-CE2 3.98Å; Y48-Y140 HydrophobicContact CE1-CE2 3.98Å; Y48-Y140 WeakPolarHBondContact CE1-OH 3.16Å; Y48-Y140 AromaticContact CE2-CE2 3.89Å; Y48-Y140 HydrophobicContact CE2-CE2 3.89Å; Y48-Y140 AromaticContact CE2-CZ 3.94Å; Y48-Y140 WeakPolarHBondContact CE2-OH 3.17Å; Y48-Y140 AromaticContact CZ-CE2 3.57Å; Y48-Y140 AromaticContact CZ-CZ 3.88Å |
| 141 | C | 39.2 | Very low | 70.2 | Confident | 106 Ų | 106 | 51.8 Ų | 51.8 | 72% | 0.716 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 90 | 136.3 | 171.2 | -140.7 | 0 | 0 | 0 | 0 | 116.9 | V139 | V139-C141 PolarHBondContact O-N 3.43Š|
| 142 | P | 46.2 | Very low | 70.4 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 77% | 0.773 | 32% | 0.316 | S | S | * | . | S | Bend | cis | -122.2 | 90.4 | -3.5 | 34.1 | -14.1 | 0 | 0 | 0 | 111.2 | ||
| 143 | S | 36.1 | Very low | 70.6 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | trans | 174.2 | 121.9 | 136.3 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | L145 S146 | S143-L145 PolarHBondContact O-N 2.99Å; S143-L145 WeakPolarHBondContact OG-CB 3.38Å; S143-L145 PolarHBondContact OG-N 3.47Å; S143-S146 PolarHBondContact O-N 3.18Å; S143-S146 VanDerWaalsContact O-O 3.12Å; S143-S146 PolarHBondContact O-OG 3.28Å; S143-S146 PolarHBondContact OG-N 3.16Å | ||
| 144 | P | 44.3 | Very low | 70.8 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.5 | 167.4 | 26.6 | -27.5 | 0 | 0 | 0 | 113 | Y40 | Y40-P144 VanDerWaalsContact OH-CG 3.25Å; Y40-P144 WeakPolarHBondContact OH-CG 3.36Å |
| 145 | L | 40.8 | Very low | 71 | Confident | 169 Ų | 169 | 51.3 Ų | 51.3 | 89% | 0.885 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.1 | 173.4 | -60.1 | 168.5 | 0 | 0 | 0 | 112.7 | S143 | S143-L145 PolarHBondContact O-N 2.99Å; S143-L145 WeakPolarHBondContact OG-CB 3.38Å; S143-L145 PolarHBondContact OG-N 3.47Å |
| 146 | S | 54.3 | Low | 71.2 | Confident | 71 Ų | 71 | 48.8 Ų | 48.8 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | trans | -112.6 | 114.7 | 166.3 | 68.9 | 0 | 0 | 0 | 0 | 108.5 | T137 S143 | T137-S146 PolarHBondContact OG1-O 3.25Å; S143-S146 PolarHBondContact O-N 3.18Å; S143-S146 VanDerWaalsContact O-O 3.12Å; S143-S146 PolarHBondContact O-OG 3.28Å; S143-S146 PolarHBondContact OG-N 3.16Å | ||
| 147 | G | 69.2 | Low | 71.3 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 32% | 0.32 | 30% | 0.297 | S | S | . | . | trans | -137.1 | 159.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109 | F136 | F136-G147 WeakPolarHBondContact O-CA 3.48Š| ||
| 148 | I | 84.8 | Confident | 71.8 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -114.6 | 145.6 | 177.7 | 55 | 179.9 | 0 | 0 | 0 | 107.9 | T135 F136 P138 F152 Y153 | T135-I148 WeakPolarHBondContact CA-O 3.29Å; F136-I148 PolarHBondContact N-O 2.86Å; F136-I148 VanDerWaalsContact N-O 3.12Å; F136-I148 PolarHBondContact O-N 2.91Å; F136-I148 VanDerWaalsContact O-N 3.15Å; P138-I148 HydrophobicContact CB-CD1 4.4Å; P138-I148 HydrophobicContact CG-CD1 3.69Å; P138-I148 HydrophobicContact CG-CG1 4.24Å; I148-F152 HydrophobicContact CB-CB 4.37Å; I148-F152 HydrophobicContact CB-CD1 4.01Å; I148-F152 HydrophobicContact CG2-CD1 3.73Å; I148-F152 HydrophobicContact CG2-CE1 4.24Å; I148-Y153 VanDerWaalsContact CD1-CB 3.47Å; I148-Y153 HydrophobicContact CD1-CD2 3.57Å; I148-Y153 HydrophobicContact CD1-CG 3.96Å |
| 149 | T | 91.1 | Very high | 73.2 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | trans | -67.9 | 153.4 | 172.5 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | T135 L151 F152 Y153 | T135-T149 HydrophobicContact CG2-CG2 4.32Å; T149-L151 PolarHBondContact O-N 3.45Å; T149-F152 PolarHBondContact O-N 2.92Å; T149-F152 VanDerWaalsContact O-N 3.08Å; T149-F152 WeakPolarHBondContact OG1-CB 3.45Å; T149-F152 PolarHBondContact OG1-N 3.41Å; T149-Y153 PolarHBondContact O-N 3.37Å | ||
| 150 | P | 94.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -45.4 | -45.4 | 169.1 | -35 | 38.6 | 0 | 0 | 0 | 114.3 | L98 F102 I132 R134 F136 F152 Y153 V154 | L98-P150 HydrophobicContact CD1-CG 4.3Å; L98-P150 HydrophobicContact CD2-CG 4.12Å; F102-P150 HydrophobicContact CD1-CB 4.3Å; F102-P150 HydrophobicContact CD2-CB 4.1Å; F102-P150 HydrophobicContact CD2-CG 4.27Å; F102-P150 HydrophobicContact CE1-CB 3.88Å; F102-P150 HydrophobicContact CE2-CB 3.68Å; F102-P150 HydrophobicContact CE2-CG 3.89Å; F102-P150 HydrophobicContact CG-CB 4.41Å; F102-P150 HydrophobicContact CZ-CB 3.56Å; F102-P150 HydrophobicContact CZ-CG 4.25Å; I132-P150 HydrophobicContact CD1-CB 3.55Å; I132-P150 HydrophobicContact CD1-CG 3.91Å; I132-P150 HydrophobicContact CG1-CB 4.47Å; I132-P150 VanDerWaalsContact O-CD 3.3Å; I132-P150 WeakPolarHBondContact O-CD 3.45Å; R134-P150 VanDerWaalsContact O-CD 3.31Å; R134-P150 WeakPolarHBondContact O-CD 3.48Å; F136-P150 HydrophobicContact CE1-CG 4.49Å; P150-F152 PolarHBondContact O-N 3.15Å; P150-Y153 PolarHBondContact O-N 2.92Å; P150-V154 WeakPolarHBondContact O-CB 3.4Å; P150-V154 VanDerWaalsContact O-CG2 3.22Å; P150-V154 WeakPolarHBondContact O-CG2 3.42Å; P150-V154 PolarHBondContact O-N 3.17Å |
| 151 | L | 95.4 | Very high | 76.9 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 177.4 | -177.8 | 64.8 | 0 | 0 | 0 | 112.1 | T149 Y153 V154 A155 F163 L166 L167 I171 L172 E175 I181 | T149-L151 PolarHBondContact O-N 3.45Å; L151-Y153 PolarHBondContact O-N 2.81Å; L151-V154 PolarHBondContact O-N 3.44Å; L151-A155 WeakPolarHBondContact O-CB 3.28Å; L151-A155 PolarHBondContact O-N 3.37Å; L151-F163 HydrophobicContact CD1-CD2 3.93Å; L151-F163 HydrophobicContact CD1-CE2 3.5Å; L151-F163 HydrophobicContact CD1-CZ 4.42Å; L151-L166 HydrophobicContact CB-CD1 4.38Å; L151-L166 HydrophobicContact CD1-CB 4.18Å; L151-L166 HydrophobicContact CD1-CD1 3.99Å; L151-L167 HydrophobicContact CD1-CD1 3.9Å; L151-I171 HydrophobicContact CB-CG2 4.18Å; L151-I171 HydrophobicContact CD2-CG2 4.06Å; L151-L172 HydrophobicContact CD2-CB 4.35Å; L151-L172 HydrophobicContact CD2-CD1 4.17Å; L151-E175 HydrophobicContact CD2-CG 3.6Å; L151-I181 HydrophobicContact CD2-CD1 3.96Å; L151-I181 HydrophobicContact CD2-CG1 3.91Å; L151-I181 HydrophobicContact CG-CD1 3.93Å; L151-I181 HydrophobicContact CG-CG1 4.25Å; L151-I181 HydrophobicContact CG-CG2 4.48Å |
| 152 | F | 92.6 | Very high | 79.6 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 25% | 0.254 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 179.5 | -161.8 | -98.4 | 0 | 0 | 0 | 111.7 | I148 T149 P150 A155 Q156 I181 T184 | I148-F152 HydrophobicContact CB-CB 4.37Å; I148-F152 HydrophobicContact CB-CD1 4.01Å; I148-F152 HydrophobicContact CG2-CD1 3.73Å; I148-F152 HydrophobicContact CG2-CE1 4.24Å; T149-F152 PolarHBondContact O-N 2.92Å; T149-F152 VanDerWaalsContact O-N 3.08Å; T149-F152 WeakPolarHBondContact OG1-CB 3.45Å; T149-F152 PolarHBondContact OG1-N 3.41Å; P150-F152 PolarHBondContact O-N 3.15Å; F152-A155 WeakPolarHBondContact O-CB 3.3Å; F152-A155 PolarHBondContact O-N 3.34Å; F152-Q156 HydrophobicContact CD1-CG 4.11Å; F152-Q156 HydrophobicContact CE1-CG 4.15Å; F152-Q156 WeakPolarHBondContact O-CG 3.46Å; F152-Q156 PolarHBondContact O-N 3.28Å; F152-I181 HydrophobicContact CB-CD1 4.46Å; F152-I181 HydrophobicContact CD2-CD1 3.87Å; F152-T184 HydrophobicContact CE1-CG2 4.44Å; F152-T184 HydrophobicContact CE2-CG2 4.34Å; F152-T184 WeakPolarHBondContact CE2-OG1 3.46Å; F152-T184 HydrophobicContact CZ-CG2 4.21Å; F152-T184 VanDerWaalsContact CZ-OG1 3.3Å; F152-T184 WeakPolarHBondContact CZ-OG1 3.46Å |
| 153 | Y | 91.4 | Very high | 82.1 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.5 | 173.2 | -101.1 | 0 | 0 | 0 | 113 | F102 A103 F136 P138 I148 T149 P150 L151 A155 Q156 T157 R193 | F102-Y153 HydrophobicContact CB-CD1 3.77Å; F102-Y153 HydrophobicContact CB-CE1 3.83Å; F102-Y153 VanDerWaalsContact O-CE1 3.24Å; F102-Y153 WeakPolarHBondContact O-CE1 3.31Å; A103-Y153 WeakPolarHBondContact CA-OH 3.41Å; A103-Y153 HydrophobicContact CB-CE1 4.27Å; A103-Y153 HydrophobicContact CB-CE2 4.39Å; F136-Y153 HydrophobicContact CE1-CD1 4.31Å; F136-Y153 HydrophobicContact CE1-CG 4.07Å; F136-Y153 HydrophobicContact CE2-CG 4.48Å; F136-Y153 AromaticContact CZ-CD1 3.65Å; F136-Y153 HydrophobicContact CZ-CD1 3.65Å; F136-Y153 AromaticContact CZ-CD2 4Å; F136-Y153 HydrophobicContact CZ-CD2 4Å; F136-Y153 HydrophobicContact CZ-CE1 4.26Å; F136-Y153 AromaticContact CZ-CG 3.49Å; F136-Y153 HydrophobicContact CZ-CG 3.49Å; F136-Y153 VanDerWaalsContact CZ-CG 3.49Å; P138-Y153 HydrophobicContact CB-CD2 4.07Å; P138-Y153 HydrophobicContact CB-CE2 4.01Å; I148-Y153 VanDerWaalsContact CD1-CB 3.47Å; I148-Y153 HydrophobicContact CD1-CD2 3.57Å; I148-Y153 HydrophobicContact CD1-CG 3.96Å; T149-Y153 PolarHBondContact O-N 3.37Å; P150-Y153 PolarHBondContact O-N 2.92Å; L151-Y153 PolarHBondContact O-N 2.81Å; Y153-A155 VanDerWaalsContact C-N 3.28Å; Y153-A155 PolarHBondContact O-N 3.05Å; Y153-Q156 WeakPolarHBondContact O-CB 3.23Å; Y153-Q156 PolarHBondContact O-N 2.95Å; Y153-T157 HydrophobicContact CD2-CG2 4.24Å; Y153-T157 HydrophobicContact CE1-CG2 4.34Å; Y153-T157 HydrophobicContact CE2-CG2 3.6Å; Y153-T157 PolarHBondContact O-N 2.91Å; Y153-T157 PolarHBondContact O-OG1 3.08Å; Y153-R193 VanDerWaalsContact CE2-CZ 3.42Å; Y153-R193 PolarHBondContact OH-NE 2.94Å; Y153-R193 PolarHBondContact OH-NH1 3.49Å; Y153-R193 PolarHBondContact OH-NH2 3.1Å |
| 154 | V | 93.2 | Very high | 85 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -37.4 | 177.2 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | F102 P150 L151 T157 R158 Q159 I162 F163 L166 | F102-V154 HydrophobicContact CD1-CG2 3.57Å; F102-V154 HydrophobicContact CE1-CG2 3.95Å; P150-V154 WeakPolarHBondContact O-CB 3.4Å; P150-V154 VanDerWaalsContact O-CG2 3.22Å; P150-V154 WeakPolarHBondContact O-CG2 3.42Å; P150-V154 PolarHBondContact O-N 3.17Å; L151-V154 PolarHBondContact O-N 3.44Å; V154-T157 CarbonylContact O-C 3.6Å; V154-T157 PolarHBondContact O-N 3.44Å; V154-R158 VanDerWaalsContact O-CA 3.3Å; V154-R158 WeakPolarHBondContact O-CA 3.3Å; V154-R158 PolarHBondContact O-N 3.4Å; V154-Q159 HydrophobicContact CG1-CB 4.22Å; V154-Q159 PolarHBondContact O-N 3.39Å; V154-I162 HydrophobicContact CB-CG2 4.43Å; V154-I162 HydrophobicContact CG1-CB 4.32Å; V154-I162 HydrophobicContact CG1-CG2 3.97Å; V154-I162 HydrophobicContact CG2-CG2 3.55Å; V154-F163 HydrophobicContact CG1-CB 3.64Å; V154-F163 HydrophobicContact CG1-CD2 3.81Å; V154-F163 HydrophobicContact CG1-CG 4.22Å; V154-L166 HydrophobicContact CB-CD1 4.06Å; V154-L166 HydrophobicContact CG1-CD1 4.27Å; V154-L166 HydrophobicContact CG2-CD1 3.93Å |
| 155 | A | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L151 F152 Y153 T157 R158 F163 I181 T184 I185 | L151-A155 WeakPolarHBondContact O-CB 3.28Å; L151-A155 PolarHBondContact O-N 3.37Å; F152-A155 WeakPolarHBondContact O-CB 3.3Å; F152-A155 PolarHBondContact O-N 3.34Å; Y153-A155 VanDerWaalsContact C-N 3.28Å; Y153-A155 PolarHBondContact O-N 3.05Å; A155-T157 VanDerWaalsContact C-N 3.3Å; A155-T157 PolarHBondContact O-N 2.93Å; A155-R158 PolarHBondContact O-N 3.43Å; A155-F163 HydrophobicContact CB-CE2 4.31Å; A155-I181 HydrophobicContact CB-CG2 3.86Å; A155-T184 HydrophobicContact CB-CG2 3.99Å; A155-I185 HydrophobicContact CB-CD1 4.45Å; A155-I185 HydrophobicContact CB-CG1 3.89Å |
| 156 | Q | 89.5 | Confident | 90.3 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.6 | -76.1 | -179 | -13.9 | 0 | 0 | 111.8 | F152 Y153 R158 T184 Y188 | F152-Q156 HydrophobicContact CD1-CG 4.11Å; F152-Q156 HydrophobicContact CE1-CG 4.15Å; F152-Q156 WeakPolarHBondContact O-CG 3.46Å; F152-Q156 PolarHBondContact O-N 3.28Å; Y153-Q156 WeakPolarHBondContact O-CB 3.23Å; Y153-Q156 PolarHBondContact O-N 2.95Å; Q156-R158 VanDerWaalsContact O-CZ 3.3Å; Q156-R158 PolarHBondContact O-NE 3.06Å; Q156-R158 PolarHBondContact O-NH2 3.48Å; Q156-T184 HydrophobicContact CB-CG2 4.17Å; Q156-T184 HydrophobicContact CG-CG2 3.43Å; Q156-T184 VanDerWaalsContact CG-CG2 3.43Å; Q156-Y188 HydrophobicContact CB-CD1 3.84Å; Q156-Y188 HydrophobicContact CB-CE1 3.97Å; Q156-Y188 HydrophobicContact CB-CG 4.27Å; Q156-Y188 HydrophobicContact CG-CD1 3.86Å; Q156-Y188 HydrophobicContact CG-CD2 3.94Å; Q156-Y188 HydrophobicContact CG-CE1 3.9Å; Q156-Y188 HydrophobicContact CG-CE2 4Å; Q156-Y188 HydrophobicContact CG-CG 3.87Å; Q156-Y188 VanDerWaalsContact NE2-CE2 3.32Å |
| 157 | T | 87.6 | Confident | 92.3 | Very high | 34 Ų | 34 | 20.3 Ų | 20.3 | 21% | 0.209 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -93 | -2.8 | -176.9 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | Y153 V154 A155 Q159 | Y153-T157 HydrophobicContact CD2-CG2 4.24Å; Y153-T157 HydrophobicContact CE1-CG2 4.34Å; Y153-T157 HydrophobicContact CE2-CG2 3.6Å; Y153-T157 PolarHBondContact O-N 2.91Å; Y153-T157 PolarHBondContact O-OG1 3.08Å; V154-T157 CarbonylContact O-C 3.6Å; V154-T157 PolarHBondContact O-N 3.44Å; A155-T157 VanDerWaalsContact C-N 3.3Å; A155-T157 PolarHBondContact O-N 2.93Å; T157-Q159 PolarHBondContact O-N 3.17Å; T157-Q159 PolarHBondContact OG1-NE2 2.94Å |
| 158 | R | 91.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 2% | 0.023 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.4 | 178.9 | -67.7 | 138.7 | -94.2 | -168.2 | -15.4 | 113.4 | V154 A155 Q156 S160 Y188 S190 D206 A207 I237 | V154-R158 VanDerWaalsContact O-CA 3.3Å; V154-R158 WeakPolarHBondContact O-CA 3.3Å; V154-R158 PolarHBondContact O-N 3.4Å; A155-R158 PolarHBondContact O-N 3.43Å; Q156-R158 VanDerWaalsContact O-CZ 3.3Å; Q156-R158 PolarHBondContact O-NE 3.06Å; Q156-R158 PolarHBondContact O-NH2 3.48Å; R158-S160 VanDerWaalsContact C-N 3.3Å; R158-S160 PolarHBondContact O-N 3.12Å; R158-Y188 PolarHBondContact NH2-O 2.99Å; R158-S190 PolarHBondContact NH1-OG 3.21Å; R158-D206 HydrophobicContact CB-CB 4.09Å; R158-D206 WeakPolarHBondContact O-CB 3.42Å; R158-A207 HydrophobicContact CB-CB 4.49Å; R158-A207 HydrophobicContact CG-CB 3.88Å; R158-I237 VanDerWaalsContact CZ-CD1 3.42Å; R158-I237 VanDerWaalsContact NH1-CG1 3.3Å |
| 159 | Q | 91.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 18.8 Ų | 18.8 | 10% | 0.103 | 10% | 0.095 | C | C | . | . | trans | -73.6 | 85.3 | 178.8 | -59 | 173.4 | 38.8 | 0 | 0 | 109.8 | F102 V154 T157 N161 I162 F163 | F102-Q159 PolarHBondContact O-NE2 3.02Å; V154-Q159 HydrophobicContact CG1-CB 4.22Å; V154-Q159 PolarHBondContact O-N 3.39Å; T157-Q159 PolarHBondContact O-N 3.17Å; T157-Q159 PolarHBondContact OG1-NE2 2.94Å; Q159-N161 VanDerWaalsContact C-N 3.34Å; Q159-N161 PolarHBondContact O-N 2.67Å; Q159-I162 HydrophobicContact CB-CB 4.25Å; Q159-I162 PolarHBondContact O-N 3.01Å; Q159-I162 VanDerWaalsContact O-N 3.13Å; Q159-F163 WeakPolarHBondContact O-CB 3.17Å; Q159-F163 PolarHBondContact O-N 3.39Å | ||
| 160 | S | 94.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 6% | 0.056 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | -166.3 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | R158 F163 K164 D206 | R158-S160 VanDerWaalsContact C-N 3.3Å; R158-S160 PolarHBondContact O-N 3.12Å; S160-F163 WeakPolarHBondContact O-CB 3Å; S160-F163 PolarHBondContact O-N 2.92Å; S160-K164 WeakPolarHBondContact O-CB 3.46Å; S160-K164 PolarHBondContact O-N 3.47Å; S160-D206 WeakPolarHBondContact CB-OD1 3.43Å; S160-D206 PolarHBondContact OG-OD1 3.49Å |
| 161 | N | 94.8 | Very high | 94.5 | Very high | 115 Ų | 115 | 17.3 Ų | 17.3 | 62% | 0.615 | 9% | 0.086 | S | C | * | . | H | α-helix | trans | -61.7 | -45.2 | 177 | -66.3 | -23.1 | 0 | 0 | 0 | 112.4 | P108 Q159 I165 | P108-N161 HydrophobicContact CG-CB 3.95Å; Q159-N161 VanDerWaalsContact C-N 3.34Å; Q159-N161 PolarHBondContact O-N 2.67Å; N161-I165 PolarHBondContact O-N 2.88Å |
| 162 | I | 96.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.2 | -37.6 | 176.2 | -73.7 | 166.8 | 0 | 0 | 0 | 110.5 | F102 G106 P108 V111 V154 Q159 K164 I165 L166 | F102-I162 HydrophobicContact CD1-CG2 4.16Å; F102-I162 HydrophobicContact CE1-CG2 3.92Å; G106-I162 VanDerWaalsContact C-CD1 3.47Å; G106-I162 WeakPolarHBondContact O-CD1 3.3Å; P108-I162 HydrophobicContact CB-CG1 4.4Å; P108-I162 HydrophobicContact CG-CG1 4.2Å; V111-I162 HydrophobicContact CB-CG2 4.44Å; V111-I162 HydrophobicContact CG1-CG2 4.16Å; V111-I162 HydrophobicContact CG2-CD1 4.09Å; V111-I162 HydrophobicContact CG2-CG1 4.07Å; V111-I162 HydrophobicContact CG2-CG2 3.94Å; V154-I162 HydrophobicContact CB-CG2 4.43Å; V154-I162 HydrophobicContact CG1-CB 4.32Å; V154-I162 HydrophobicContact CG1-CG2 3.97Å; V154-I162 HydrophobicContact CG2-CG2 3.55Å; Q159-I162 HydrophobicContact CB-CB 4.25Å; Q159-I162 PolarHBondContact O-N 3.01Å; Q159-I162 VanDerWaalsContact O-N 3.13Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 3.43Å; I162-I165 PolarHBondContact O-N 2.94Å; I162-L166 HydrophobicContact CG2-CD1 4.39Å; I162-L166 HydrophobicContact CG2-CG 4.45Å; I162-L166 WeakPolarHBondContact O-CG 3.31Å; I162-L166 PolarHBondContact O-N 2.65Å |
| 163 | F | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 177.2 | -166 | -111.8 | 0 | 0 | 0 | 110.8 | L151 V154 A155 Q159 S160 I165 L166 L167 I181 I185 C210 L213 C214 | L151-F163 HydrophobicContact CD1-CD2 3.93Å; L151-F163 HydrophobicContact CD1-CE2 3.5Å; L151-F163 HydrophobicContact CD1-CZ 4.42Å; V154-F163 HydrophobicContact CG1-CB 3.64Å; V154-F163 HydrophobicContact CG1-CD2 3.81Å; V154-F163 HydrophobicContact CG1-CG 4.22Å; A155-F163 HydrophobicContact CB-CE2 4.31Å; Q159-F163 WeakPolarHBondContact O-CB 3.17Å; Q159-F163 PolarHBondContact O-N 3.39Å; S160-F163 WeakPolarHBondContact O-CB 3Å; S160-F163 PolarHBondContact O-N 2.92Å; F163-I165 VanDerWaalsContact C-N 3.32Å; F163-I165 PolarHBondContact O-N 2.92Å; F163-L166 PolarHBondContact O-N 2.68Å; F163-L167 HydrophobicContact CD1-CD1 3.98Å; F163-L167 HydrophobicContact CD1-CD2 3.74Å; F163-L167 HydrophobicContact CD2-CD1 3.99Å; F163-L167 HydrophobicContact CE1-CD1 3.74Å; F163-L167 HydrophobicContact CE1-CD2 3.38Å; F163-L167 HydrophobicContact CE1-CG 4.23Å; F163-L167 HydrophobicContact CE2-CD1 3.76Å; F163-L167 HydrophobicContact CG-CD1 4.1Å; F163-L167 HydrophobicContact CZ-CD1 3.6Å; F163-L167 HydrophobicContact CZ-CD2 3.99Å; F163-L167 HydrophobicContact CZ-CG 4.45Å; F163-L167 WeakPolarHBondContact O-CD1 3.5Å; F163-L167 PolarHBondContact O-N 2.94Å; F163-I181 HydrophobicContact CE2-CG2 3.7Å; F163-I181 HydrophobicContact CZ-CG2 3.69Å; F163-I185 HydrophobicContact CE1-CD1 3.99Å; F163-I185 HydrophobicContact CE2-CD1 4.24Å; F163-I185 HydrophobicContact CZ-CD1 3.65Å; F163-C210 HydrophobicContact CD1-CB 3.91Å; F163-C210 HydrophobicContact CE1-CB 4.11Å; F163-C210 WeakPolarHBondContact CE1-O 3.34Å; F163-L213 HydrophobicContact CD1-CB 4.21Å; F163-L213 HydrophobicContact CD1-CD1 4.02Å; F163-L213 HydrophobicContact CE1-CB 4.25Å; F163-C214 VanDerWaalsContact CZ-SG 3.59Å |
| 164 | K | 97.8 | Very high | 94.7 | Very high | 48 Ų | 48 | 18.7 Ų | 18.7 | 21% | 0.209 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54.7 | -46.9 | 174.6 | -177.3 | -177.1 | 165.4 | -165.1 | 0 | 111.8 | S160 I162 L166 L167 Q168 L213 L293 E294 | S160-K164 WeakPolarHBondContact O-CB 3.46Å; S160-K164 PolarHBondContact O-N 3.47Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 3.43Å; K164-L166 PolarHBondContact O-N 3.17Å; K164-L167 CarbonylContact O-C 3.55Å; K164-L167 PolarHBondContact O-N 2.86Å; K164-Q168 HydrophobicContact CG-CG 4.43Å; K164-Q168 WeakPolarHBondContact O-CG 3.49Å; K164-Q168 PolarHBondContact O-N 3.09Å; K164-L213 HydrophobicContact CB-CD1 3.83Å; K164-L213 HydrophobicContact CB-CD2 4.33Å; K164-L213 HydrophobicContact CG-CD2 4.12Å; K164-L293 WeakPolarHBondContact CE-O 3.01Å; K164-E294 WeakPolarHBondContact CE-OE1 3.39Å; K164-E294 IonicContact NZ-OE1 3.99Å; K164-E294 PolarHBondContact NZ-OE1 3.29Å; K164-E294 IonicContact NZ-OE2 2.9Å; K164-E294 PolarHBondContact NZ-OE2 2.68Å |
| 165 | I | 97.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 7% | 0.072 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 177.8 | -68 | 172.2 | 0 | 0 | 0 | 111 | P108 V111 E112 L115 N161 I162 F163 L167 Q168 Y169 | P108-I165 HydrophobicContact CB-CD1 3.47Å; P108-I165 VanDerWaalsContact CB-CD1 3.47Å; P108-I165 WeakPolarHBondContact O-CD1 3.43Å; V111-I165 HydrophobicContact CG1-CG2 4.26Å; E112-I165 HydrophobicContact CB-CD1 4.36Å; E112-I165 HydrophobicContact CB-CG2 4.21Å; L115-I165 HydrophobicContact CD1-CG2 3.63Å; N161-I165 PolarHBondContact O-N 2.88Å; I162-I165 PolarHBondContact O-N 2.94Å; F163-I165 VanDerWaalsContact C-N 3.32Å; F163-I165 PolarHBondContact O-N 2.92Å; I165-L167 PolarHBondContact O-N 3.28Å; I165-Q168 WeakPolarHBondContact O-CB 3.19Å; I165-Q168 PolarHBondContact O-N 3.09Å; I165-Q168 VanDerWaalsContact O-N 3.09Å; I165-Y169 HydrophobicContact CG2-CD2 4.15Å; I165-Y169 HydrophobicContact CG2-CE2 4.21Å; I165-Y169 WeakPolarHBondContact O-CD2 3.32Å; I165-Y169 PolarHBondContact O-N 3.27Å; I165-Y169 VanDerWaalsContact O-N 3.09Å |
| 166 | L | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -39.6 | 177.1 | -65.8 | 179.3 | 0 | 0 | 0 | 111.9 | F102 V111 L115 I132 L151 V154 I162 F163 K164 G170 I171 | F102-L166 HydrophobicContact CE1-CD1 4.37Å; F102-L166 HydrophobicContact CE1-CD2 4.39Å; F102-L166 HydrophobicContact CZ-CD2 4.44Å; V111-L166 HydrophobicContact CG1-CD2 4.12Å; L115-L166 HydrophobicContact CD1-CD2 4.01Å; L115-L166 HydrophobicContact CD2-CD2 4.37Å; I132-L166 HydrophobicContact CD1-CD2 3.53Å; I132-L166 HydrophobicContact CG1-CD2 4.26Å; L151-L166 HydrophobicContact CB-CD1 4.38Å; L151-L166 HydrophobicContact CD1-CB 4.18Å; L151-L166 HydrophobicContact CD1-CD1 3.99Å; V154-L166 HydrophobicContact CB-CD1 4.06Å; V154-L166 HydrophobicContact CG1-CD1 4.27Å; V154-L166 HydrophobicContact CG2-CD1 3.93Å; I162-L166 HydrophobicContact CG2-CD1 4.39Å; I162-L166 HydrophobicContact CG2-CG 4.45Å; I162-L166 WeakPolarHBondContact O-CG 3.31Å; I162-L166 PolarHBondContact O-N 2.65Å; F163-L166 PolarHBondContact O-N 2.68Å; K164-L166 PolarHBondContact O-N 3.17Å; L166-G170 PolarHBondContact O-N 2.94Å; L166-I171 HydrophobicContact CB-CB 4.46Å; L166-I171 HydrophobicContact CB-CG1 4.43Å; L166-I171 HydrophobicContact CD2-CG1 4.44Å; L166-I171 VanDerWaalsContact O-CB 3.32Å; L166-I171 WeakPolarHBondContact O-CB 3.38Å; L166-I171 WeakPolarHBondContact O-CG1 3.36Å; L166-I171 PolarHBondContact O-N 2.83Å |
| 167 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.6 | -35.8 | 177.2 | -85.6 | 53.7 | 0 | 0 | 0 | 111.5 | L151 F163 K164 I165 Y169 G170 L172 L213 V217 R265 L293 | L151-L167 HydrophobicContact CD1-CD1 3.9Å; F163-L167 HydrophobicContact CD1-CD1 3.98Å; F163-L167 HydrophobicContact CD1-CD2 3.74Å; F163-L167 HydrophobicContact CD2-CD1 3.99Å; F163-L167 HydrophobicContact CE1-CD1 3.74Å; F163-L167 HydrophobicContact CE1-CD2 3.38Å; F163-L167 HydrophobicContact CE1-CG 4.23Å; F163-L167 HydrophobicContact CE2-CD1 3.76Å; F163-L167 HydrophobicContact CG-CD1 4.1Å; F163-L167 HydrophobicContact CZ-CD1 3.6Å; F163-L167 HydrophobicContact CZ-CD2 3.99Å; F163-L167 HydrophobicContact CZ-CG 4.45Å; F163-L167 WeakPolarHBondContact O-CD1 3.5Å; F163-L167 PolarHBondContact O-N 2.94Å; K164-L167 CarbonylContact O-C 3.55Å; K164-L167 PolarHBondContact O-N 2.86Å; I165-L167 PolarHBondContact O-N 3.28Å; L167-Y169 VanDerWaalsContact C-N 3.29Å; L167-Y169 PolarHBondContact O-N 3.38Å; L167-G170 WeakPolarHBondContact O-CA 3.27Å; L167-G170 PolarHBondContact O-N 3.42Å; L167-L172 HydrophobicContact CD1-CB 3.96Å; L167-L172 HydrophobicContact CD1-CD2 4.38Å; L167-L172 HydrophobicContact CD2-CD2 4.27Å; L167-L172 HydrophobicContact CG-CB 4.06Å; L167-L172 HydrophobicContact CG-CD2 4.19Å; L167-L213 HydrophobicContact CD2-CB 3.66Å; L167-V217 HydrophobicContact CB-CG2 4.29Å; L167-V217 HydrophobicContact CD2-CG2 4.14Å; L167-V217 HydrophobicContact CG-CG2 4.22Å; L167-R265 PolarHBondContact O-NH2 3.42Å; L167-L293 HydrophobicContact CB-CD1 3.61Å |
| 168 | Q | 97 | Very high | 94.9 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -39.4 | 174.6 | -77.9 | 172.4 | -37.4 | 0 | 0 | 112.1 | K164 I165 G170 P275 N292 L293 E294 | K164-Q168 HydrophobicContact CG-CG 4.43Å; K164-Q168 WeakPolarHBondContact O-CG 3.49Å; K164-Q168 PolarHBondContact O-N 3.09Å; I165-Q168 WeakPolarHBondContact O-CB 3.19Å; I165-Q168 PolarHBondContact O-N 3.09Å; I165-Q168 VanDerWaalsContact O-N 3.09Å; Q168-G170 PolarHBondContact O-N 2.79Å; Q168-P275 HydrophobicContact CB-CB 4.26Å; Q168-N292 WeakPolarHBondContact CG-O 3.48Å; Q168-N292 PolarHBondContact NE2-ND2 3.47Å; Q168-N292 VanDerWaalsContact NE2-ND2 3.17Å; Q168-N292 PolarHBondContact NE2-O 3.35Å; Q168-L293 HydrophobicContact CG-CB 4.34Å; Q168-L293 HydrophobicContact CG-CD1 4.38Å; Q168-E294 PolarHBondContact NE2-OE1 2.94Å |
| 169 | Y | 96.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1.7 | 172.9 | -81.2 | -97.9 | 0 | 0 | 0 | 114.3 | E112 L115 I165 L167 P275 | E112-Y169 HydrophobicContact CG-CE2 4.33Å; L115-Y169 HydrophobicContact CB-CD1 3.72Å; L115-Y169 HydrophobicContact CB-CD2 4.11Å; L115-Y169 HydrophobicContact CB-CE1 3.56Å; L115-Y169 HydrophobicContact CB-CE2 3.97Å; L115-Y169 HydrophobicContact CB-CG 3.97Å; L115-Y169 HydrophobicContact CD1-CD1 4.36Å; L115-Y169 HydrophobicContact CD1-CD2 3.51Å; L115-Y169 HydrophobicContact CD1-CE2 3.92Å; L115-Y169 HydrophobicContact CD1-CG 3.75Å; L115-Y169 HydrophobicContact CG-CD1 4.47Å; L115-Y169 HydrophobicContact CG-CD2 4.4Å; L115-Y169 HydrophobicContact CG-CG 4.3Å; I165-Y169 HydrophobicContact CG2-CD2 4.15Å; I165-Y169 HydrophobicContact CG2-CE2 4.21Å; I165-Y169 WeakPolarHBondContact O-CD2 3.32Å; I165-Y169 PolarHBondContact O-N 3.27Å; I165-Y169 VanDerWaalsContact O-N 3.09Å; L167-Y169 VanDerWaalsContact C-N 3.29Å; L167-Y169 PolarHBondContact O-N 3.38Å; Y169-P275 HydrophobicContact CD2-CG 4.17Å; Y169-P275 HydrophobicContact CE2-CG 3.87Å |
| 170 | G | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 22.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L166 L167 Q168 L172 E173 R174 | L166-G170 PolarHBondContact O-N 2.94Å; L167-G170 WeakPolarHBondContact O-CA 3.27Å; L167-G170 PolarHBondContact O-N 3.42Å; Q168-G170 PolarHBondContact O-N 2.79Å; G170-L172 VanDerWaalsContact C-N 3.35Å; G170-L172 PolarHBondContact O-N 3.46Å; G170-E173 VanDerWaalsContact C-OE2 3.31Å; G170-E173 WeakPolarHBondContact CA-OE2 3.43Å; G170-E173 PolarHBondContact O-N 2.89Å; G170-R174 WeakPolarHBondContact O-CG 3.21Å; G170-R174 PolarHBondContact O-N 2.95Å |
| 171 | I | 95.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -37.3 | -175.5 | -56.1 | -59.6 | 0 | 0 | 0 | 111 | L115 V122 I132 W133 L151 L166 R174 E175 | L115-I171 HydrophobicContact CD2-CD1 4.39Å; V122-I171 HydrophobicContact CG1-CD1 4.03Å; I132-I171 HydrophobicContact CG1-CD1 4.06Å; I132-I171 HydrophobicContact CG1-CG1 4.28Å; I132-I171 HydrophobicContact CG1-CG2 4.44Å; I132-I171 HydrophobicContact CG2-CD1 3.95Å; W133-I171 HydrophobicContact CH2-CG2 3.73Å; W133-I171 HydrophobicContact CZ2-CD1 4.22Å; W133-I171 HydrophobicContact CZ2-CG2 4.41Å; W133-I171 HydrophobicContact CZ3-CG2 4.05Å; L151-I171 HydrophobicContact CB-CG2 4.18Å; L151-I171 HydrophobicContact CD2-CG2 4.06Å; L166-I171 HydrophobicContact CB-CB 4.46Å; L166-I171 HydrophobicContact CB-CG1 4.43Å; L166-I171 HydrophobicContact CD2-CG1 4.44Å; L166-I171 VanDerWaalsContact O-CB 3.32Å; L166-I171 WeakPolarHBondContact O-CB 3.38Å; L166-I171 WeakPolarHBondContact O-CG1 3.36Å; L166-I171 PolarHBondContact O-N 2.83Å; I171-R174 PolarHBondContact O-N 3.2Å; I171-E175 PolarHBondContact O-N 3.49Å |
| 172 | L | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -39.9 | 178.5 | -179.5 | 62.3 | 0 | 0 | 0 | 112.2 | L151 L167 G170 R174 E175 P178 I181 V217 L218 | L151-L172 HydrophobicContact CD2-CB 4.35Å; L151-L172 HydrophobicContact CD2-CD1 4.17Å; L167-L172 HydrophobicContact CD1-CB 3.96Å; L167-L172 HydrophobicContact CD1-CD2 4.38Å; L167-L172 HydrophobicContact CD2-CD2 4.27Å; L167-L172 HydrophobicContact CG-CB 4.06Å; L167-L172 HydrophobicContact CG-CD2 4.19Å; G170-L172 VanDerWaalsContact C-N 3.35Å; G170-L172 PolarHBondContact O-N 3.46Å; L172-R174 PolarHBondContact O-N 3.02Å; L172-E175 HydrophobicContact CD1-CG 4.5Å; L172-E175 WeakPolarHBondContact O-CB 3.47Å; L172-E175 PolarHBondContact O-N 3.13Å; L172-P178 HydrophobicContact CD1-CB 3.66Å; L172-P178 HydrophobicContact CG-CB 4.3Å; L172-I181 HydrophobicContact CD1-CB 3.95Å; L172-I181 HydrophobicContact CD1-CG1 3.81Å; L172-I181 HydrophobicContact CD1-CG2 4.18Å; L172-V217 HydrophobicContact CB-CG1 4.22Å; L172-V217 HydrophobicContact CD2-CB 4.13Å; L172-V217 HydrophobicContact CD2-CG1 3.95Å; L172-V217 HydrophobicContact CG-CG1 4.19Å; L172-L218 HydrophobicContact CD2-CD2 4.26Å; L172-L218 HydrophobicContact CD2-CG 4.25Å; L172-L218 HydrophobicContact CG-CD2 4.25Å |
| 173 | E | 94.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 30 Ų | 30 | 23% | 0.234 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28 | 176 | -68.5 | 94.9 | 137.8 | 0 | 0 | 112.7 | G170 E175 V217 R265 L269 | G170-E173 VanDerWaalsContact C-OE2 3.31Å; G170-E173 WeakPolarHBondContact CA-OE2 3.43Å; G170-E173 PolarHBondContact O-N 2.89Å; E173-E175 VanDerWaalsContact C-N 3.35Å; E173-V217 HydrophobicContact CG-CG1 3.56Å; E173-V217 VanDerWaalsContact OE2-CG1 3.3Å; E173-V217 WeakPolarHBondContact OE2-CG1 3.45Å; E173-R265 IonicContact OE1-CZ 2.82Å; E173-R265 IonicContact OE1-NE 3.22Å; E173-R265 PolarHBondContact OE1-NE 3.43Å; E173-R265 IonicContact OE1-NH2 3.88Å; E173-R265 PolarHBondContact OE1-NH2 2.93Å; E173-R265 IonicContact OE2-NH2 2.92Å; E173-L269 HydrophobicContact CB-CD2 3.6Å; E173-L269 HydrophobicContact CG-CD2 4.42Å |
| 174 | R | 92.1 | Very high | 95.2 | Very high | 43 Ų | 43 | 30.6 Ų | 30.6 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.6 | 176.3 | -67.3 | 172.1 | -178.7 | -85.2 | 1.6 | 112.3 | R125 W133 G170 I171 L172 K176 L269 | R125-R174 PolarHBondContact NH2-O 3.04Å; W133-R174 HydrophobicContact CH2-CB 3.65Å; W133-R174 HydrophobicContact CZ2-CB 3.92Å; W133-R174 HydrophobicContact CZ2-CG 4.4Å; G170-R174 WeakPolarHBondContact O-CG 3.21Å; G170-R174 PolarHBondContact O-N 2.95Å; I171-R174 PolarHBondContact O-N 3.2Å; L172-R174 PolarHBondContact O-N 3.02Å; R174-K176 PolarHBondContact O-N 2.79Å; R174-L269 HydrophobicContact CG-CD1 4.39Å; R174-L269 HydrophobicContact CG-CD2 4.03Å; R174-L269 HydrophobicContact CG-CG 4.44Å; R174-L269 PolarHBondContact NH2-O 2.89Å; R174-L269 VanDerWaalsContact NH2-O 3.16Å |
| 175 | E | 92.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 28.4 Ų | 28.4 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | trans | -63.5 | 138 | -176.5 | -77.5 | -62.7 | 170.5 | 0 | 0 | 112.2 | L151 I171 L172 E173 N177 P178 | L151-E175 HydrophobicContact CD2-CG 3.6Å; I171-E175 PolarHBondContact O-N 3.49Å; L172-E175 HydrophobicContact CD1-CG 4.5Å; L172-E175 WeakPolarHBondContact O-CB 3.47Å; L172-E175 PolarHBondContact O-N 3.13Å; E173-E175 VanDerWaalsContact C-N 3.35Å; E175-N177 VanDerWaalsContact C-N 3.27Å; E175-N177 PolarHBondContact O-N 3.05Å; E175-P178 HydrophobicContact CB-CB 4.33Å | ||
| 176 | K | 89.9 | Confident | 94.9 | Very high | 191 Ų | 191 | 27.9 Ų | 27.9 | 83% | 0.83 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -66.7 | -34.6 | 177.2 | -70.4 | -174.9 | 178.3 | -178.1 | 0 | 111.6 | R174 | R174-K176 PolarHBondContact O-N 2.79Š|
| 177 | N | 92 | Very high | 94.7 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 41% | 0.406 | 14% | 0.137 | S | C | . | . | trans | -136.8 | 78.4 | 179.2 | -166.1 | 12.1 | 0 | 0 | 0 | 111.1 | E175 I179 N180 | E175-N177 VanDerWaalsContact C-N 3.27Å; E175-N177 PolarHBondContact O-N 3.05Å; N177-I179 PolarHBondContact O-N 3.47Å; N177-I179 WeakPolarHBondContact OD1-CG2 3.44Å; N177-N180 PolarHBondContact ND2-ND2 3.06Å; N177-N180 PolarHBondContact ND2-OD1 3.24Å; N177-N180 WeakPolarHBondContact O-CB 3.43Å; N177-N180 PolarHBondContact O-N 3.1Å; N177-N180 VanDerWaalsContact O-N 3.16Å | ||
| 178 | P | 95.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 31.3 Ų | 31.3 | 23% | 0.234 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.9 | -174.5 | 24.9 | -33.7 | 0 | 0 | 0 | 113.6 | L172 E175 N180 I181 V182 L218 | L172-P178 HydrophobicContact CD1-CB 3.66Å; L172-P178 HydrophobicContact CG-CB 4.3Å; E175-P178 HydrophobicContact CB-CB 4.33Å; P178-N180 PolarHBondContact O-N 3.49Å; P178-I181 WeakPolarHBondContact O-CB 3.3Å; P178-I181 PolarHBondContact O-N 3.08Å; P178-V182 PolarHBondContact O-N 2.93Å; P178-L218 HydrophobicContact CB-CD1 4.28Å; P178-L218 HydrophobicContact CB-CD2 3.6Å; P178-L218 HydrophobicContact CG-CD2 3.81Å |
| 179 | I | 95 | Very high | 93.3 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -29 | 175.8 | -161.5 | 62.4 | 0 | 0 | 0 | 111.9 | N177 I181 V182 L183 I221 | N177-I179 PolarHBondContact O-N 3.47Å; N177-I179 WeakPolarHBondContact OD1-CG2 3.44Å; I179-I181 PolarHBondContact O-N 3.41Å; I179-V182 HydrophobicContact CD1-CB 4.14Å; I179-V182 HydrophobicContact CD1-CG1 4.42Å; I179-V182 HydrophobicContact CD1-CG2 4.42Å; I179-V182 WeakPolarHBondContact O-CB 3.37Å; I179-V182 PolarHBondContact O-N 3.37Å; I179-V182 VanDerWaalsContact O-N 3.1Å; I179-L183 HydrophobicContact CG1-CG 4.39Å; I179-L183 WeakPolarHBondContact O-CG 3.41Å; I179-L183 PolarHBondContact O-N 2.8Å; I179-I221 HydrophobicContact CD1-CG2 3.95Å |
| 180 | N | 94.3 | Very high | 92 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.6 | -32.5 | 176.7 | -75.3 | -17.2 | 0 | 0 | 0 | 111.7 | N177 P178 T184 | N177-N180 PolarHBondContact ND2-ND2 3.06Å; N177-N180 PolarHBondContact ND2-OD1 3.24Å; N177-N180 WeakPolarHBondContact O-CB 3.43Å; N177-N180 PolarHBondContact O-N 3.1Å; N177-N180 VanDerWaalsContact O-N 3.16Å; P178-N180 PolarHBondContact O-N 3.49Å; N180-T184 VanDerWaalsContact O-CB 3.3Å; N180-T184 WeakPolarHBondContact O-CB 3.45Å; N180-T184 PolarHBondContact O-N 3.42Å; N180-T184 PolarHBondContact O-OG1 2.95Å |
| 181 | I | 96.6 | Very high | 90.1 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.1 | -44.8 | 175.5 | -56.4 | -54.4 | 0 | 0 | 0 | 110 | L151 F152 A155 F163 L172 P178 I179 T184 I185 | L151-I181 HydrophobicContact CD2-CD1 3.96Å; L151-I181 HydrophobicContact CD2-CG1 3.91Å; L151-I181 HydrophobicContact CG-CD1 3.93Å; L151-I181 HydrophobicContact CG-CG1 4.25Å; L151-I181 HydrophobicContact CG-CG2 4.48Å; F152-I181 HydrophobicContact CB-CD1 4.46Å; F152-I181 HydrophobicContact CD2-CD1 3.87Å; A155-I181 HydrophobicContact CB-CG2 3.86Å; F163-I181 HydrophobicContact CE2-CG2 3.7Å; F163-I181 HydrophobicContact CZ-CG2 3.69Å; L172-I181 HydrophobicContact CD1-CB 3.95Å; L172-I181 HydrophobicContact CD1-CG1 3.81Å; L172-I181 HydrophobicContact CD1-CG2 4.18Å; P178-I181 WeakPolarHBondContact O-CB 3.3Å; P178-I181 PolarHBondContact O-N 3.08Å; I179-I181 PolarHBondContact O-N 3.41Å; I181-T184 WeakPolarHBondContact O-CB 3.34Å; I181-T184 PolarHBondContact O-N 3.43Å; I181-I185 HydrophobicContact CG2-CD1 4.06Å; I181-I185 WeakPolarHBondContact O-CG1 3.41Å; I181-I185 PolarHBondContact O-N 3.5Å |
| 182 | V | 97 | Very high | 88 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | P178 I179 T184 I185 V186 L211 C214 L218 I221 I226 | P178-V182 PolarHBondContact O-N 2.93Å; I179-V182 HydrophobicContact CD1-CB 4.14Å; I179-V182 HydrophobicContact CD1-CG1 4.42Å; I179-V182 HydrophobicContact CD1-CG2 4.42Å; I179-V182 WeakPolarHBondContact O-CB 3.37Å; I179-V182 PolarHBondContact O-N 3.37Å; I179-V182 VanDerWaalsContact O-N 3.1Å; V182-T184 PolarHBondContact O-N 3.03Å; V182-I185 PolarHBondContact O-N 2.98Å; V182-V186 HydrophobicContact CG1-CG2 4.43Å; V182-V186 WeakPolarHBondContact O-CG2 2.94Å; V182-V186 PolarHBondContact O-N 3.1Å; V182-L211 HydrophobicContact CG1-CD1 3.82Å; V182-C214 HydrophobicContact CG2-CB 4.05Å; V182-L218 HydrophobicContact CG2-CD1 3.85Å; V182-I221 HydrophobicContact CG1-CG2 4.03Å; V182-I226 HydrophobicContact CG1-CD1 4.09Å |
| 183 | L | 95.2 | Very high | 85.7 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -38.3 | 176.8 | -69.4 | 173 | 0 | 0 | 0 | 111.6 | I179 V186 L187 E225 I226 Q229 | I179-L183 HydrophobicContact CG1-CG 4.39Å; I179-L183 WeakPolarHBondContact O-CG 3.41Å; I179-L183 PolarHBondContact O-N 2.8Å; L183-V186 PolarHBondContact O-N 3.15Å; L183-L187 HydrophobicContact CB-CD1 4.46Å; L183-L187 HydrophobicContact CD2-CD1 3.82Å; L183-L187 VanDerWaalsContact O-CB 3.22Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.46Å; L183-E225 HydrophobicContact CD1-CG 4.17Å; L183-I226 HydrophobicContact CD2-CB 4.31Å; L183-I226 HydrophobicContact CD2-CG1 3.77Å; L183-Q229 HydrophobicContact CD2-CG 4.09Å |
| 184 | T | 93.6 | Very high | 83.5 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | F152 A155 Q156 N180 I181 V182 V186 Y188 | F152-T184 HydrophobicContact CE1-CG2 4.44Å; F152-T184 HydrophobicContact CE2-CG2 4.34Å; F152-T184 WeakPolarHBondContact CE2-OG1 3.46Å; F152-T184 HydrophobicContact CZ-CG2 4.21Å; F152-T184 VanDerWaalsContact CZ-OG1 3.3Å; F152-T184 WeakPolarHBondContact CZ-OG1 3.46Å; A155-T184 HydrophobicContact CB-CG2 3.99Å; Q156-T184 HydrophobicContact CB-CG2 4.17Å; Q156-T184 HydrophobicContact CG-CG2 3.43Å; Q156-T184 VanDerWaalsContact CG-CG2 3.43Å; N180-T184 VanDerWaalsContact O-CB 3.3Å; N180-T184 WeakPolarHBondContact O-CB 3.45Å; N180-T184 PolarHBondContact O-N 3.42Å; N180-T184 PolarHBondContact O-OG1 2.95Å; I181-T184 WeakPolarHBondContact O-CB 3.34Å; I181-T184 PolarHBondContact O-N 3.43Å; V182-T184 PolarHBondContact O-N 3.03Å; T184-V186 VanDerWaalsContact C-N 3.29Å; T184-V186 PolarHBondContact O-N 3.29Å; T184-Y188 HydrophobicContact CG2-CG 4.41Å; T184-Y188 WeakPolarHBondContact O-CB 3.46Å; T184-Y188 PolarHBondContact O-N 3.16Å |
| 185 | I | 94.9 | Very high | 81.4 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 176.1 | -68.5 | 158.5 | 0 | 0 | 0 | 111.3 | A155 F163 I181 V182 A207 C210 I237 | A155-I185 HydrophobicContact CB-CD1 4.45Å; A155-I185 HydrophobicContact CB-CG1 3.89Å; F163-I185 HydrophobicContact CE1-CD1 3.99Å; F163-I185 HydrophobicContact CE2-CD1 4.24Å; F163-I185 HydrophobicContact CZ-CD1 3.65Å; I181-I185 HydrophobicContact CG2-CD1 4.06Å; I181-I185 WeakPolarHBondContact O-CG1 3.41Å; I181-I185 PolarHBondContact O-N 3.5Å; V182-I185 PolarHBondContact O-N 2.98Å; I185-A207 HydrophobicContact CG2-CB 4.42Å; I185-C210 HydrophobicContact CD1-CB 3.8Å; I185-C210 HydrophobicContact CG1-CB 4.08Å; I185-C210 HydrophobicContact CG2-CB 3.86Å; I185-I237 WeakPolarHBondContact O-CD1 3.22Å |
| 186 | V | 94.6 | Very high | 79.4 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -83.3 | -35.7 | -173.4 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | V182 L183 T184 L211 I226 P236 I237 W241 | V182-V186 HydrophobicContact CG1-CG2 4.43Å; V182-V186 WeakPolarHBondContact O-CG2 2.94Å; V182-V186 PolarHBondContact O-N 3.1Å; L183-V186 PolarHBondContact O-N 3.15Å; T184-V186 VanDerWaalsContact C-N 3.29Å; T184-V186 PolarHBondContact O-N 3.29Å; V186-L211 HydrophobicContact CG2-CD1 4.24Å; V186-L211 HydrophobicContact CG2-CD2 4.15Å; V186-I226 HydrophobicContact CG1-CG2 4.26Å; V186-P236 HydrophobicContact CG1-CB 3.95Å; V186-P236 CarbonylContact O-C 3.54Å; V186-P236 VanDerWaalsContact O-CA 3.25Å; V186-P236 WeakPolarHBondContact O-CA 3.4Å; V186-I237 WeakPolarHBondContact O-CD1 3.4Å; V186-I237 PolarHBondContact O-N 2.86Å; V186-W241 HydrophobicContact CG1-CB 4.18Å; V186-W241 HydrophobicContact CG1-CD2 4.36Å; V186-W241 HydrophobicContact CG1-CG 4.08Å |
| 187 | L | 92.1 | Very high | 77.6 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -119.6 | -10.3 | -164.5 | -54.3 | 172 | 0 | 0 | 0 | 114.7 | L183 P189 Q229 L230 R234 P236 | L183-L187 HydrophobicContact CB-CD1 4.46Å; L183-L187 HydrophobicContact CD2-CD1 3.82Å; L183-L187 VanDerWaalsContact O-CB 3.22Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.46Å; L187-P189 WeakPolarHBondContact O-CD 3.37Å; L187-Q229 HydrophobicContact CD1-CB 3.46Å; L187-Q229 VanDerWaalsContact CD1-CB 3.46Å; L187-Q229 HydrophobicContact CD1-CG 4Å; L187-L230 HydrophobicContact CD2-CD2 3.56Å; L187-L230 HydrophobicContact CD2-CG 4.44Å; L187-R234 HydrophobicContact CD2-CB 4.28Å; L187-P236 HydrophobicContact CD2-CB 4.38Å |
| 188 | Y | 87.1 | Confident | 76.2 | Confident | 65 Ų | 65 | 65 Ų | 65 | 26% | 0.255 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -74.9 | 123.3 | -175.9 | -166.3 | -92.9 | 0 | 0 | 0 | 111.5 | Q156 R158 T184 S190 V192 I237 | Q156-Y188 HydrophobicContact CB-CD1 3.84Å; Q156-Y188 HydrophobicContact CB-CE1 3.97Å; Q156-Y188 HydrophobicContact CB-CG 4.27Å; Q156-Y188 HydrophobicContact CG-CD1 3.86Å; Q156-Y188 HydrophobicContact CG-CD2 3.94Å; Q156-Y188 HydrophobicContact CG-CE1 3.9Å; Q156-Y188 HydrophobicContact CG-CE2 4Å; Q156-Y188 HydrophobicContact CG-CG 3.87Å; Q156-Y188 VanDerWaalsContact NE2-CE2 3.32Å; R158-Y188 PolarHBondContact NH2-O 2.99Å; T184-Y188 HydrophobicContact CG2-CG 4.41Å; T184-Y188 WeakPolarHBondContact O-CB 3.46Å; T184-Y188 PolarHBondContact O-N 3.16Å; Y188-S190 PolarHBondContact O-N 3.31Å; Y188-V192 HydrophobicContact CE1-CB 4.11Å; Y188-V192 HydrophobicContact CE1-CG2 4.23Å; Y188-I237 VanDerWaalsContact O-CD1 3.29Å; Y188-I237 WeakPolarHBondContact O-CD1 3.36Å |
| 189 | P | 79.8 | Confident | 75 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 51% | 0.506 | 35% | 0.349 | S | S | . | . | trans | -59.7 | 136.4 | -174.5 | -23.2 | 32.5 | 0 | 0 | 0 | 113.2 | L187 R191 | L187-P189 WeakPolarHBondContact O-CD 3.37Å; P189-R191 PolarHBondContact O-N 2.83Å | ||
| 190 | S | 67.7 | Low | 74 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -66.3 | -16.6 | 175.3 | -46.9 | 0 | 0 | 0 | 0 | 113.1 | R158 Y188 V192 | R158-S190 PolarHBondContact NH1-OG 3.21Å; Y188-S190 PolarHBondContact O-N 3.31Å; S190-V192 VanDerWaalsContact C-N 3.29Å; S190-V192 PolarHBondContact O-N 3.26Å |
| 191 | R | 56.4 | Low | 73.2 | Confident | 230 Ų | 230 | 73.7 Ų | 73.7 | 87% | 0.868 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -73.8 | -8 | -171.7 | -64.1 | -175.2 | 179.7 | -177.7 | -1.3 | 115.3 | P189 R193 | P189-R191 PolarHBondContact O-N 2.83Å; R191-R193 VanDerWaalsContact C-N 3.32Å |
| 192 | V | 52.3 | Low | 72.6 | Confident | 83 Ų | 83 | 77.1 Ų | 77.1 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -85 | -4.5 | -176.6 | -174.3 | 0 | 0 | 0 | 0 | 112.9 | Y188 S190 | Y188-V192 HydrophobicContact CE1-CB 4.11Å; Y188-V192 HydrophobicContact CE1-CG2 4.23Å; S190-V192 VanDerWaalsContact C-N 3.29Å; S190-V192 PolarHBondContact O-N 3.26Å |
| 193 | R | 46.5 | Very low | 72 | Confident | 60 Ų | 60 | 79 Ų | 79 | 23% | 0.226 | 41% | 0.406 | C | S | . | . | trans | -141.7 | 90.5 | 165.8 | -81.4 | -171.4 | 174 | -136.3 | 0.2 | 109.9 | A103 P138 Y153 R191 M195 | A103-R193 PolarHBondContact O-NH1 3.03Å; P138-R193 VanDerWaalsContact CB-NH2 3.33Å; P138-R193 PolarHBondContact O-NH2 3.22Å; P138-R193 VanDerWaalsContact O-NH2 3.11Å; Y153-R193 VanDerWaalsContact CE2-CZ 3.42Å; Y153-R193 PolarHBondContact OH-NE 2.94Å; Y153-R193 PolarHBondContact OH-NH1 3.49Å; Y153-R193 PolarHBondContact OH-NH2 3.1Å; R191-R193 VanDerWaalsContact C-N 3.32Å; R193-M195 HydrophobicContact CB-CG 4.39Å; R193-M195 PolarHBondContact NH1-SD 2.95Å; R193-M195 PolarHBondContact O-N 2.68Å | ||
| 194 | V | 49.3 | Very low | 71.8 | Confident | 143 Ų | 143 | 80.8 Ų | 80.8 | 87% | 0.867 | 41% | 0.413 | S | S | * | . | trans | -63.7 | 96.6 | 148.5 | 179.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 195 | M | 48.1 | Very low | 71.7 | Confident | 83 Ų | 83 | 85 Ų | 85 | 41% | 0.409 | 43% | 0.432 | S | S | . | . | trans | -120.1 | 100.7 | 161 | -77.4 | -168.2 | 72.9 | 0 | 0 | 106.1 | R193 | R193-M195 HydrophobicContact CB-CG 4.39Å; R193-M195 PolarHBondContact NH1-SD 2.95Å; R193-M195 PolarHBondContact O-N 2.68Å | ||
| 196 | V | 50.8 | Low | 71.6 | Confident | 115 Ų | 115 | 86.1 Ų | 86.1 | 70% | 0.697 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.1 | 107.9 | 144.6 | -167.5 | 0 | 0 | 0 | 0 | 115.1 | R198 | V196-R198 PolarHBondContact O-N 2.87Š|
| 197 | D | 51.5 | Low | 71.5 | Confident | 155 Ų | 155 | 86 Ų | 86 | 83% | 0.829 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 5.1 | 157.9 | -53.2 | -22.7 | 0 | 0 | 0 | 120.6 | ||
| 198 | R | 62.4 | Low | 71.7 | Confident | 144 Ų | 144 | 87.4 Ų | 87.4 | 54% | 0.543 | 44% | 0.443 | S | S | . | . | trans | -85.1 | 123.9 | 170.3 | -73.8 | -164.6 | -175.9 | -161.3 | -0 | 112.2 | V196 D206 | V196-R198 PolarHBondContact O-N 2.87Å; R198-D206 IonicContact NH1-OD2 3.8Å; R198-D206 PolarHBondContact NH1-OD2 3.11Å; R198-D206 VanDerWaalsContact NH1-OD2 3.08Å | ||
| 199 | E | 70.1 | Confident | 72.2 | Confident | 134 Ų | 134 | 87 Ų | 87 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | trans | -68.7 | 151.2 | 177.4 | -64 | -172.5 | 177.2 | 0 | 0 | 110.7 | A201 D202 I203 | E199-A201 PolarHBondContact O-N 3.45Å; E199-D202 PolarHBondContact N-OD2 2.96Å; E199-D202 WeakPolarHBondContact O-CB 3.45Å; E199-D202 PolarHBondContact O-N 3.34Å; E199-D202 VanDerWaalsContact O-N 3.11Å; E199-I203 PolarHBondContact O-N 2.83Å | ||
| 200 | L | 74.7 | Confident | 73 | Confident | 114 Ų | 114 | 83.2 Ų | 83.2 | 60% | 0.597 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -56.7 | -32.2 | 175.6 | -168 | 102.2 | 0 | 0 | 0 | 111.7 | I203 H204 | L200-I203 PolarHBondContact O-N 3.45Å; L200-H204 VanDerWaalsContact CD2-CE1 3.48Å; L200-H204 WeakPolarHBondContact CD2-CE1 3.46Å; L200-H204 PolarHBondContact O-CD2 2.93Å; L200-H204 PolarHBondContact O-N 2.7Å; L200-H204 VanDerWaalsContact O-N 3.13Å |
| 201 | A | 76.2 | Confident | 74.4 | Confident | 55 Ų | 55 | 81.2 Ų | 81.2 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E199 I203 H204 E205 | E199-A201 PolarHBondContact O-N 3.45Å; A201-I203 VanDerWaalsContact C-N 3.31Å; A201-I203 PolarHBondContact O-N 3.45Å; A201-H204 PolarHBondContact O-N 3.15Å; A201-H204 VanDerWaalsContact O-N 3.13Å; A201-E205 PolarHBondContact O-N 3.37Å |
| 202 | D | 84.2 | Confident | 76.3 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 177.7 | -61.9 | -25.3 | 0 | 0 | 0 | 111.1 | E199 H204 E205 D206 | E199-D202 PolarHBondContact N-OD2 2.96Å; E199-D202 WeakPolarHBondContact O-CB 3.45Å; E199-D202 PolarHBondContact O-N 3.34Å; E199-D202 VanDerWaalsContact O-N 3.11Å; D202-H204 VanDerWaalsContact C-N 3.27Å; D202-H204 PolarHBondContact O-N 3.06Å; D202-E205 PolarHBondContact O-N 3.06Å; D202-D206 WeakPolarHBondContact O-CB 3.33Å; D202-D206 PolarHBondContact O-N 3.49Å |
| 203 | I | 84.9 | Confident | 78.4 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 179.3 | -62.2 | 172.8 | 0 | 0 | 0 | 111.4 | E199 L200 A201 A207 I237 | E199-I203 PolarHBondContact O-N 2.83Å; L200-I203 PolarHBondContact O-N 3.45Å; A201-I203 VanDerWaalsContact C-N 3.31Å; A201-I203 PolarHBondContact O-N 3.45Å; I203-A207 VanDerWaalsContact O-CB 3.26Å; I203-A207 WeakPolarHBondContact O-CB 3.24Å; I203-A207 PolarHBondContact O-N 3.19Å; I203-I237 HydrophobicContact CG2-CG2 4.46Å |
| 204 | H | 89.6 | Confident | 80.8 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.4 | -46.1 | 177.1 | -69.6 | -179.7 | 0 | 0 | 0 | 111.2 | L200 A201 D202 A207 K208 I237 | L200-H204 VanDerWaalsContact CD2-CE1 3.48Å; L200-H204 WeakPolarHBondContact CD2-CE1 3.46Å; L200-H204 PolarHBondContact O-CD2 2.93Å; L200-H204 PolarHBondContact O-N 2.7Å; L200-H204 VanDerWaalsContact O-N 3.13Å; A201-H204 PolarHBondContact O-N 3.15Å; A201-H204 VanDerWaalsContact O-N 3.13Å; D202-H204 VanDerWaalsContact C-N 3.27Å; D202-H204 PolarHBondContact O-N 3.06Å; H204-A207 PolarHBondContact O-N 3.13Å; H204-K208 VanDerWaalsContact O-CG 3.26Å; H204-K208 WeakPolarHBondContact O-CG 3.16Å; H204-K208 PolarHBondContact O-N 2.66Å; H204-I237 PolarHBondContact NE2-O 3.46Å |
| 205 | E | 91.9 | Very high | 83.1 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 177.1 | -69.2 | -50.7 | 136.5 | 0 | 0 | 112.6 | A201 D202 A207 K208 T209 | A201-E205 PolarHBondContact O-N 3.37Å; D202-E205 PolarHBondContact O-N 3.06Å; E205-A207 VanDerWaalsContact C-N 3.33Å; E205-A207 PolarHBondContact O-N 3.04Å; E205-K208 PolarHBondContact O-N 3.17Å; E205-K208 IonicContact OE1-NZ 2.65Å; E205-K208 PolarHBondContact OE1-NZ 3.36Å; E205-K208 WeakPolarHBondContact OE2-CD 3.29Å; E205-K208 IonicContact OE2-NZ 2.68Å; E205-T209 WeakPolarHBondContact O-CB 3.44Å; E205-T209 PolarHBondContact O-N 2.83Å; E205-T209 PolarHBondContact O-OG1 3.15Å |
| 206 | D | 92.8 | Very high | 85.3 | Confident | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 174.1 | -100.2 | -14.3 | 0 | 0 | 0 | 111.3 | R158 S160 R198 D202 T209 C210 | R158-D206 HydrophobicContact CB-CB 4.09Å; R158-D206 WeakPolarHBondContact O-CB 3.42Å; S160-D206 WeakPolarHBondContact CB-OD1 3.43Å; S160-D206 PolarHBondContact OG-OD1 3.49Å; R198-D206 IonicContact NH1-OD2 3.8Å; R198-D206 PolarHBondContact NH1-OD2 3.11Å; R198-D206 VanDerWaalsContact NH1-OD2 3.08Å; D202-D206 WeakPolarHBondContact O-CB 3.33Å; D202-D206 PolarHBondContact O-N 3.49Å; D206-T209 PolarHBondContact O-N 3.28Å; D206-C210 WeakPolarHBondContact O-CB 3.4Å; D206-C210 PolarHBondContact O-N 3.23Å; D206-C210 PolarHBondContact O-SG 2.87Å |
| 207 | A | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R158 I185 I203 H204 E205 C210 L211 I238 | R158-A207 HydrophobicContact CB-CB 4.49Å; R158-A207 HydrophobicContact CG-CB 3.88Å; I185-A207 HydrophobicContact CG2-CB 4.42Å; I203-A207 VanDerWaalsContact O-CB 3.26Å; I203-A207 WeakPolarHBondContact O-CB 3.24Å; I203-A207 PolarHBondContact O-N 3.19Å; H204-A207 PolarHBondContact O-N 3.13Å; E205-A207 VanDerWaalsContact C-N 3.33Å; E205-A207 PolarHBondContact O-N 3.04Å; A207-C210 PolarHBondContact O-N 3.43Å; A207-L211 WeakPolarHBondContact O-CB 3.28Å; A207-L211 PolarHBondContact O-N 3.37Å; A207-I238 HydrophobicContact CB-CD1 3.5Å; A207-I238 VanDerWaalsContact CB-CD1 3.5Å; A207-I238 HydrophobicContact CB-CG1 4.02Å |
| 208 | K | 95.8 | Very high | 89.6 | Confident | 38 Ų | 38 | 46 Ų | 46 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 175.8 | -68.8 | 168.6 | -173.2 | -175.4 | 0 | 109.8 | H204 E205 C210 L211 V212 I238 Y244 | H204-K208 VanDerWaalsContact O-CG 3.26Å; H204-K208 WeakPolarHBondContact O-CG 3.16Å; H204-K208 PolarHBondContact O-N 2.66Å; E205-K208 PolarHBondContact O-N 3.17Å; E205-K208 IonicContact OE1-NZ 2.65Å; E205-K208 PolarHBondContact OE1-NZ 3.36Å; E205-K208 WeakPolarHBondContact OE2-CD 3.29Å; E205-K208 IonicContact OE2-NZ 2.68Å; K208-C210 PolarHBondContact O-N 3.27Å; K208-L211 PolarHBondContact O-N 3.23Å; K208-L211 VanDerWaalsContact O-N 3.16Å; K208-V212 WeakPolarHBondContact O-CG2 3.48Å; K208-V212 PolarHBondContact O-N 3.33Å; K208-I238 HydrophobicContact CB-CD1 4.31Å; K208-I238 HydrophobicContact CG-CD1 3.6Å; K208-I238 HydrophobicContact CG-CG1 4.27Å; K208-I238 HydrophobicContact CG-CG2 4.4Å; K208-Y244 HydrophobicContact CB-CD1 3.93Å; K208-Y244 HydrophobicContact CB-CE1 3.75Å; K208-Y244 HydrophobicContact CB-CG 4.5Å; K208-Y244 HydrophobicContact CD-CE1 3.63Å; K208-Y244 HydrophobicContact CD-CE2 4.22Å; K208-Y244 VanDerWaalsContact CD-CZ 3.42Å; K208-Y244 WeakPolarHBondContact CD-OH 3.45Å; K208-Y244 WeakPolarHBondContact CE-OH 3.49Å; K208-Y244 HydrophobicContact CG-CD1 4.06Å; K208-Y244 HydrophobicContact CG-CD2 4.31Å; K208-Y244 HydrophobicContact CG-CE1 3.56Å; K208-Y244 HydrophobicContact CG-CE2 3.84Å; K208-Y244 HydrophobicContact CG-CG 4.42Å; K208-Y244 VanDerWaalsContact CG-CZ 3.44Å; K208-Y244 PolarHBondContact NZ-OH 3.4Å |
| 209 | T | 96.3 | Very high | 91.1 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 34% | 0.344 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | E205 D206 L211 V212 L213 | E205-T209 WeakPolarHBondContact O-CB 3.44Å; E205-T209 PolarHBondContact O-N 2.83Å; E205-T209 PolarHBondContact O-OG1 3.15Å; D206-T209 PolarHBondContact O-N 3.28Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.01Å; T209-V212 PolarHBondContact O-N 3.38Å; T209-L213 HydrophobicContact CG2-CD1 4.09Å; T209-L213 WeakPolarHBondContact O-CB 3.39Å; T209-L213 VanDerWaalsContact O-CG 3.25Å; T209-L213 WeakPolarHBondContact O-CG 3.45Å; T209-L213 PolarHBondContact O-N 3Å |
| 210 | C | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 175.9 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | F163 I185 D206 A207 K208 L213 C214 | F163-C210 HydrophobicContact CD1-CB 3.91Å; F163-C210 HydrophobicContact CE1-CB 4.11Å; F163-C210 WeakPolarHBondContact CE1-O 3.34Å; I185-C210 HydrophobicContact CD1-CB 3.8Å; I185-C210 HydrophobicContact CG1-CB 4.08Å; I185-C210 HydrophobicContact CG2-CB 3.86Å; D206-C210 WeakPolarHBondContact O-CB 3.4Å; D206-C210 PolarHBondContact O-N 3.23Å; D206-C210 PolarHBondContact O-SG 2.87Å; A207-C210 PolarHBondContact O-N 3.43Å; K208-C210 PolarHBondContact O-N 3.27Å; C210-L213 PolarHBondContact O-N 2.92Å; C210-C214 PolarHBondContact O-N 3.08Å; C210-C214 PolarHBondContact O-SG 3.16Å; C210-C214 VanDerWaalsContact O-SG 3.4Å |
| 211 | L | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -42 | 179.3 | -172.9 | 54.6 | 0 | 0 | 0 | 112.1 | V182 V186 A207 K208 T209 L213 C214 S215 W241 I245 | V182-L211 HydrophobicContact CG1-CD1 3.82Å; V186-L211 HydrophobicContact CG2-CD1 4.24Å; V186-L211 HydrophobicContact CG2-CD2 4.15Å; A207-L211 WeakPolarHBondContact O-CB 3.28Å; A207-L211 PolarHBondContact O-N 3.37Å; K208-L211 PolarHBondContact O-N 3.23Å; K208-L211 VanDerWaalsContact O-N 3.16Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 3.01Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 3.06Å; L211-C214 WeakPolarHBondContact O-CB 3.49Å; L211-C214 PolarHBondContact O-N 2.96Å; L211-S215 PolarHBondContact O-N 3.26Å; L211-W241 HydrophobicContact CD2-CB 4.33Å; L211-W241 WeakPolarHBondContact CD2-O 3.5Å; L211-I245 HydrophobicContact CD1-CD1 4.26Å; L211-I245 HydrophobicContact CD1-CG1 4.01Å; L211-I245 HydrophobicContact CD2-CG1 4.1Å; L211-I245 HydrophobicContact CG-CG1 4.09Å |
| 212 | V | 96.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | K208 T209 C214 S215 R216 Y244 | K208-V212 WeakPolarHBondContact O-CG2 3.48Å; K208-V212 PolarHBondContact O-N 3.33Å; T209-V212 PolarHBondContact O-N 3.38Å; V212-C214 PolarHBondContact O-N 3.28Å; V212-S215 WeakPolarHBondContact O-CB 3.37Å; V212-S215 PolarHBondContact O-N 2.78Å; V212-S215 VanDerWaalsContact O-N 3.09Å; V212-S215 PolarHBondContact O-OG 3.07Å; V212-R216 WeakPolarHBondContact O-CG 3.2Å; V212-R216 PolarHBondContact O-N 2.78Å; V212-R216 VanDerWaalsContact O-N 3.12Å; V212-Y244 HydrophobicContact CG2-CD1 4.2Å |
| 213 | L | 97.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 176.2 | -73.6 | 168 | 0 | 0 | 0 | 112 | F163 K164 L167 T209 C210 L211 S215 R216 V217 L293 | F163-L213 HydrophobicContact CD1-CB 4.21Å; F163-L213 HydrophobicContact CD1-CD1 4.02Å; F163-L213 HydrophobicContact CE1-CB 4.25Å; K164-L213 HydrophobicContact CB-CD1 3.83Å; K164-L213 HydrophobicContact CB-CD2 4.33Å; K164-L213 HydrophobicContact CG-CD2 4.12Å; L167-L213 HydrophobicContact CD2-CB 3.66Å; T209-L213 HydrophobicContact CG2-CD1 4.09Å; T209-L213 WeakPolarHBondContact O-CB 3.39Å; T209-L213 VanDerWaalsContact O-CG 3.25Å; T209-L213 WeakPolarHBondContact O-CG 3.45Å; T209-L213 PolarHBondContact O-N 3Å; C210-L213 PolarHBondContact O-N 2.92Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 3.06Å; L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 3.17Å; L213-R216 WeakPolarHBondContact O-CB 3.49Å; L213-R216 PolarHBondContact O-N 3.16Å; L213-R216 VanDerWaalsContact O-N 3.12Å; L213-V217 PolarHBondContact O-N 2.88Å; L213-L293 HydrophobicContact CD2-CB 4.39Å |
| 214 | C | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 172.2 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | F163 V182 C210 L211 V212 R216 V217 L218 | F163-C214 VanDerWaalsContact CZ-SG 3.59Å; V182-C214 HydrophobicContact CG2-CB 4.05Å; C210-C214 PolarHBondContact O-N 3.08Å; C210-C214 PolarHBondContact O-SG 3.16Å; C210-C214 VanDerWaalsContact O-SG 3.4Å; L211-C214 WeakPolarHBondContact O-CB 3.49Å; L211-C214 PolarHBondContact O-N 2.96Å; V212-C214 PolarHBondContact O-N 3.28Å; C214-R216 PolarHBondContact O-N 3.02Å; C214-V217 PolarHBondContact O-N 3.46Å; C214-L218 HydrophobicContact CB-CD1 4.42Å; C214-L218 WeakPolarHBondContact O-CB 3.33Å; C214-L218 WeakPolarHBondContact O-CG 3.21Å; C214-L218 PolarHBondContact O-N 3.42Å |
| 215 | S | 95.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 38 Ų | 38 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -23.9 | 178.6 | 81.4 | 0 | 0 | 0 | 0 | 114 | L211 V212 L213 V217 R249 H258 | L211-S215 PolarHBondContact O-N 3.26Å; V212-S215 WeakPolarHBondContact O-CB 3.37Å; V212-S215 PolarHBondContact O-N 2.78Å; V212-S215 VanDerWaalsContact O-N 3.09Å; V212-S215 PolarHBondContact O-OG 3.07Å; L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 3.17Å; S215-V217 VanDerWaalsContact C-N 3.33Å; S215-R249 PolarHBondContact O-NE 3.27Å; S215-H258 PolarHBondContact O-CE1 3.01Å; S215-H258 VanDerWaalsContact O-CE1 3.28Å |
| 216 | R | 95.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 13% | 0.125 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -79.5 | -15.9 | 175.3 | -67.4 | 179.4 | 69.1 | 162.7 | 6.2 | 113.2 | V212 L213 C214 H258 R261 Y290 L293 E294 | V212-R216 WeakPolarHBondContact O-CG 3.2Å; V212-R216 PolarHBondContact O-N 2.78Å; V212-R216 VanDerWaalsContact O-N 3.12Å; L213-R216 WeakPolarHBondContact O-CB 3.49Å; L213-R216 PolarHBondContact O-N 3.16Å; L213-R216 VanDerWaalsContact O-N 3.12Å; C214-R216 PolarHBondContact O-N 3.02Å; R216-H258 PolarHBondContact O-CE1 3.29Å; R216-H258 VanDerWaalsContact O-CE1 3.23Å; R216-R261 WeakPolarHBondContact O-CD 3.46Å; R216-R261 PolarHBondContact O-NH1 3.46Å; R216-Y290 PolarHBondContact NH2-O 3.34Å; R216-L293 HydrophobicContact CB-CD2 3.87Å; R216-L293 PolarHBondContact NH1-O 3.13Å; R216-L293 VanDerWaalsContact NH2-CA 3.32Å; R216-E294 PolarHBondContact NH1-O 3.43Å; R216-E294 PolarHBondContact NH2-O 3.18Å |
| 217 | V | 95.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -110.8 | -31.5 | -177.1 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | L167 L172 E173 L213 C214 S215 L262 L293 | L167-V217 HydrophobicContact CB-CG2 4.29Å; L167-V217 HydrophobicContact CD2-CG2 4.14Å; L167-V217 HydrophobicContact CG-CG2 4.22Å; L172-V217 HydrophobicContact CB-CG1 4.22Å; L172-V217 HydrophobicContact CD2-CB 4.13Å; L172-V217 HydrophobicContact CD2-CG1 3.95Å; L172-V217 HydrophobicContact CG-CG1 4.19Å; E173-V217 HydrophobicContact CG-CG1 3.56Å; E173-V217 VanDerWaalsContact OE2-CG1 3.3Å; E173-V217 WeakPolarHBondContact OE2-CG1 3.45Å; L213-V217 PolarHBondContact O-N 2.88Å; C214-V217 PolarHBondContact O-N 3.46Å; S215-V217 VanDerWaalsContact C-N 3.33Å; V217-L262 WeakPolarHBondContact O-CD2 3.11Å; V217-L293 HydrophobicContact CG2-CD1 3.74Å; V217-L293 HydrophobicContact CG2-CD2 4.08Å |
| 218 | L | 96.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | trans | -93.3 | 142.8 | -178.7 | -58.3 | 177.9 | 0 | 0 | 0 | 110.9 | L172 P178 V182 C214 I221 R249 H258 | L172-L218 HydrophobicContact CD2-CD2 4.26Å; L172-L218 HydrophobicContact CD2-CG 4.25Å; L172-L218 HydrophobicContact CG-CD2 4.25Å; P178-L218 HydrophobicContact CB-CD1 4.28Å; P178-L218 HydrophobicContact CB-CD2 3.6Å; P178-L218 HydrophobicContact CG-CD2 3.81Å; V182-L218 HydrophobicContact CG2-CD1 3.85Å; C214-L218 HydrophobicContact CB-CD1 4.42Å; C214-L218 WeakPolarHBondContact O-CB 3.33Å; C214-L218 WeakPolarHBondContact O-CG 3.21Å; C214-L218 PolarHBondContact O-N 3.42Å; L218-I221 HydrophobicContact CB-CG1 4.17Å; L218-I221 HydrophobicContact CD1-CD1 4.44Å; L218-I221 HydrophobicContact CD1-CG1 3.99Å; L218-R249 WeakPolarHBondContact O-CD 3.36Å; L218-R249 PolarHBondContact O-NE 2.99Å; L218-H258 PolarHBondContact O-NE2 3.31Å | ||
| 219 | S | 94.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 38% | 0.378 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -77.8 | -38.1 | 168.2 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | R249 C254 | S219-R249 VanDerWaalsContact O-CD 3.3Å; S219-R249 WeakPolarHBondContact O-CD 3.33Å; S219-C254 PolarHBondContact O-SG 2.77Å |
| 220 | V | 94.8 | Very high | 95.6 | Very high | 101 Ų | 101 | 40.2 Ų | 40.2 | 61% | 0.612 | 21% | 0.212 | S | C | * | . | trans | -132.5 | 135.2 | -176.5 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | R249 | V220-R249 CarbonylContact C-O 3.52Å; V220-R249 VanDerWaalsContact CA-O 3.27Å; V220-R249 WeakPolarHBondContact CA-O 3.49Å | ||
| 221 | I | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -121.4 | 117.1 | 171.3 | -64.1 | 173.1 | 0 | 0 | 0 | 108 | I179 V182 L218 V223 I226 I245 R249 Y250 | I179-I221 HydrophobicContact CD1-CG2 3.95Å; V182-I221 HydrophobicContact CG1-CG2 4.03Å; L218-I221 HydrophobicContact CB-CG1 4.17Å; L218-I221 HydrophobicContact CD1-CD1 4.44Å; L218-I221 HydrophobicContact CD1-CG1 3.99Å; I221-V223 PolarHBondContact O-N 3.28Å; I221-I226 HydrophobicContact CG2-CD1 4.18Å; I221-I245 HydrophobicContact CB-CG2 4.14Å; I221-I245 HydrophobicContact CD1-CG2 4.08Å; I221-I245 HydrophobicContact CG2-CD1 3.94Å; I221-I245 HydrophobicContact CG2-CG2 4.33Å; I221-R249 PolarHBondContact N-O 3.36Å; I221-Y250 WeakPolarHBondContact O-CB 3.48Å | ||
| 222 | S | 94.6 | Very high | 95.3 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | trans | -72.5 | 87.7 | -178.7 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | K224 E225 I226 | S222-K224 PolarHBondContact O-N 3.48Å; S222-E225 PolarHBondContact O-N 3.17Å; S222-E225 VanDerWaalsContact O-N 3.16Å; S222-E225 WeakPolarHBondContact OG-CB 3.38Å; S222-E225 PolarHBondContact OG-N 3.3Å; S222-I226 PolarHBondContact O-N 3.23Å | ||
| 223 | V | 95.6 | Very high | 95 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -33 | 171.9 | 166.2 | 0 | 0 | 0 | 0 | 111.3 | I221 E225 I226 K227 W241 F242 I245 Y250 | I221-V223 PolarHBondContact O-N 3.28Å; V223-E225 VanDerWaalsContact C-N 3.32Å; V223-E225 PolarHBondContact O-N 2.95Å; V223-I226 PolarHBondContact O-N 3.1Å; V223-K227 HydrophobicContact CG1-CD 4.03Å; V223-K227 HydrophobicContact CG1-CG 4.31Å; V223-K227 WeakPolarHBondContact O-CB 3.33Å; V223-K227 WeakPolarHBondContact O-CG 3.3Å; V223-K227 PolarHBondContact O-N 3.47Å; V223-W241 HydrophobicContact CG1-CH2 4.1Å; V223-W241 HydrophobicContact CG2-CZ3 4.43Å; V223-F242 HydrophobicContact CB-CE2 4.37Å; V223-F242 HydrophobicContact CG1-CD2 4.05Å; V223-F242 HydrophobicContact CG1-CE2 3.59Å; V223-F242 HydrophobicContact CG2-CD2 4.24Å; V223-F242 HydrophobicContact CG2-CE2 3.88Å; V223-I245 HydrophobicContact CG2-CD1 4.36Å; V223-Y250 HydrophobicContact CB-CD2 4.36Å; V223-Y250 HydrophobicContact CB-CG 4.3Å; V223-Y250 HydrophobicContact CG2-CD1 3.82Å; V223-Y250 HydrophobicContact CG2-CD2 3.93Å; V223-Y250 HydrophobicContact CG2-CE1 4.49Å; V223-Y250 HydrophobicContact CG2-CG 3.49Å; V223-Y250 VanDerWaalsContact CG2-CG 3.49Å |
| 224 | K | 94.9 | Very high | 94.5 | Very high | 169 Ų | 169 | 56.8 Ų | 56.8 | 74% | 0.735 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.5 | -46.8 | 175.6 | -177.1 | -179.3 | 177.2 | -177.5 | 0 | 110.9 | S222 K227 T228 | S222-K224 PolarHBondContact O-N 3.48Å; K224-K227 PolarHBondContact O-N 3.12Å; K224-T228 PolarHBondContact O-N 3.18Å; K224-T228 PolarHBondContact O-OG1 3.09Å; K224-T228 VanDerWaalsContact O-OG1 3.06Å |
| 225 | E | 95.4 | Very high | 94.2 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | -179.3 | -172 | 168 | -180 | 0 | 0 | 112.2 | L183 S222 V223 K227 T228 Q229 | L183-E225 HydrophobicContact CD1-CG 4.17Å; S222-E225 PolarHBondContact O-N 3.17Å; S222-E225 VanDerWaalsContact O-N 3.16Å; S222-E225 WeakPolarHBondContact OG-CB 3.38Å; S222-E225 PolarHBondContact OG-N 3.3Å; V223-E225 VanDerWaalsContact C-N 3.32Å; V223-E225 PolarHBondContact O-N 2.95Å; E225-K227 PolarHBondContact O-N 3.06Å; E225-T228 PolarHBondContact O-N 3.37Å; E225-Q229 WeakPolarHBondContact O-CG 3.33Å; E225-Q229 PolarHBondContact O-N 3.05Å |
| 226 | I | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59 | -49.5 | 173 | -57.5 | 168.7 | 0 | 0 | 0 | 109.8 | V182 L183 V186 I221 S222 V223 T228 Q229 L230 W241 I245 | V182-I226 HydrophobicContact CG1-CD1 4.09Å; L183-I226 HydrophobicContact CD2-CB 4.31Å; L183-I226 HydrophobicContact CD2-CG1 3.77Å; V186-I226 HydrophobicContact CG1-CG2 4.26Å; I221-I226 HydrophobicContact CG2-CD1 4.18Å; S222-I226 PolarHBondContact O-N 3.23Å; V223-I226 PolarHBondContact O-N 3.1Å; I226-T228 VanDerWaalsContact C-N 3.33Å; I226-T228 PolarHBondContact O-N 3.5Å; I226-Q229 PolarHBondContact O-N 3.4Å; I226-Q229 VanDerWaalsContact O-N 3.15Å; I226-L230 HydrophobicContact CG2-CD1 4.48Å; I226-L230 WeakPolarHBondContact O-CG 3.45Å; I226-L230 PolarHBondContact O-N 3.31Å; I226-W241 HydrophobicContact CB-CH2 3.76Å; I226-W241 HydrophobicContact CB-CZ2 4.37Å; I226-W241 HydrophobicContact CB-CZ3 4.03Å; I226-W241 HydrophobicContact CD1-CE3 4.11Å; I226-W241 HydrophobicContact CD1-CH2 4.16Å; I226-W241 HydrophobicContact CD1-CZ3 3.53Å; I226-W241 HydrophobicContact CG1-CZ3 4.37Å; I226-W241 HydrophobicContact CG2-CD2 4.24Å; I226-W241 HydrophobicContact CG2-CE3 4.09Å; I226-W241 HydrophobicContact CG2-CH2 3.43Å; I226-W241 VanDerWaalsContact CG2-CH2 3.43Å; I226-W241 HydrophobicContact CG2-CZ2 3.62Å; I226-W241 HydrophobicContact CG2-CZ3 3.7Å; I226-I245 HydrophobicContact CD1-CD1 3.97Å |
| 227 | K | 95.7 | Very high | 93.7 | Very high | 114 Ų | 114 | 68.1 Ų | 68.1 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 177.9 | -73.4 | 179.4 | 178 | -178.8 | 0 | 112.7 | V223 K224 E225 Q229 L230 S231 W241 | V223-K227 HydrophobicContact CG1-CD 4.03Å; V223-K227 HydrophobicContact CG1-CG 4.31Å; V223-K227 WeakPolarHBondContact O-CB 3.33Å; V223-K227 WeakPolarHBondContact O-CG 3.3Å; V223-K227 PolarHBondContact O-N 3.47Å; K224-K227 PolarHBondContact O-N 3.12Å; E225-K227 PolarHBondContact O-N 3.06Å; K227-Q229 VanDerWaalsContact C-N 3.35Å; K227-Q229 PolarHBondContact O-N 3.43Å; K227-L230 WeakPolarHBondContact O-CB 3.41Å; K227-L230 PolarHBondContact O-N 3.25Å; K227-S231 PolarHBondContact O-N 3.12Å; K227-W241 HydrophobicContact CG-CH2 4.43Å; K227-W241 HydrophobicContact CG-CZ2 4.43Å |
| 228 | T | 96.2 | Very high | 93.5 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 173.9 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | K224 E225 I226 L230 S231 L232 | K224-T228 PolarHBondContact O-N 3.18Å; K224-T228 PolarHBondContact O-OG1 3.09Å; K224-T228 VanDerWaalsContact O-OG1 3.06Å; E225-T228 PolarHBondContact O-N 3.37Å; I226-T228 VanDerWaalsContact C-N 3.33Å; I226-T228 PolarHBondContact O-N 3.5Å; T228-L230 VanDerWaalsContact C-N 3.3Å; T228-L230 PolarHBondContact O-N 2.82Å; T228-S231 PolarHBondContact O-N 3.12Å; T228-S231 VanDerWaalsContact O-N 3.17Å; T228-S231 PolarHBondContact O-OG 2.8Å; T228-L232 WeakPolarHBondContact O-CG 3.41Å; T228-L232 PolarHBondContact O-N 2.86Å; T228-L232 VanDerWaalsContact O-N 3.13Å |
| 229 | Q | 93.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 72.7 Ų | 72.7 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 176.8 | -66.3 | -62.3 | -38.6 | 0 | 0 | 112.9 | L183 L187 E225 I226 K227 L232 R234 | L183-Q229 HydrophobicContact CD2-CG 4.09Å; L187-Q229 HydrophobicContact CD1-CB 3.46Å; L187-Q229 VanDerWaalsContact CD1-CB 3.46Å; L187-Q229 HydrophobicContact CD1-CG 4Å; E225-Q229 WeakPolarHBondContact O-CG 3.33Å; E225-Q229 PolarHBondContact O-N 3.05Å; I226-Q229 PolarHBondContact O-N 3.4Å; I226-Q229 VanDerWaalsContact O-N 3.15Å; K227-Q229 VanDerWaalsContact C-N 3.35Å; K227-Q229 PolarHBondContact O-N 3.43Å; Q229-L232 PolarHBondContact O-N 3.37Å; Q229-R234 WeakPolarHBondContact O-CB 3.49Å; Q229-R234 PolarHBondContact O-N 3.37Å |
| 230 | L | 93.5 | Very high | 93 | Very high | 46 Ų | 46 | 72.8 Ų | 72.8 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 173.5 | -64 | 178.9 | 0 | 0 | 0 | 112.1 | L187 I226 K227 T228 L232 G233 R234 P236 W241 | L187-L230 HydrophobicContact CD2-CD2 3.56Å; L187-L230 HydrophobicContact CD2-CG 4.44Å; I226-L230 HydrophobicContact CG2-CD1 4.48Å; I226-L230 WeakPolarHBondContact O-CG 3.45Å; I226-L230 PolarHBondContact O-N 3.31Å; K227-L230 WeakPolarHBondContact O-CB 3.41Å; K227-L230 PolarHBondContact O-N 3.25Å; T228-L230 VanDerWaalsContact C-N 3.3Å; T228-L230 PolarHBondContact O-N 2.82Å; L230-L232 PolarHBondContact O-N 3.21Å; L230-G233 PolarHBondContact O-N 3.28Å; L230-R234 VanDerWaalsContact CD2-O 3.28Å; L230-R234 WeakPolarHBondContact CD2-O 3.5Å; L230-P236 HydrophobicContact CD2-CB 4.26Å; L230-P236 HydrophobicContact CD2-CG 4.12Å; L230-W241 HydrophobicContact CD1-CZ2 3.79Å |
| 231 | S | 94.3 | Very high | 93 | Very high | 99 Ų | 99 | 68.8 Ų | 68.8 | 69% | 0.692 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.6 | -24.8 | 176 | 72.7 | 0 | 0 | 0 | 0 | 113.1 | K227 T228 G233 | K227-S231 PolarHBondContact O-N 3.12Å; T228-S231 PolarHBondContact O-N 3.12Å; T228-S231 VanDerWaalsContact O-N 3.17Å; T228-S231 PolarHBondContact O-OG 2.8Å; S231-G233 PolarHBondContact O-N 2.95Å |
| 232 | L | 93.3 | Very high | 92.9 | Very high | 123 Ų | 123 | 72 Ų | 72 | 64% | 0.644 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 10.8 | 172.1 | -63.5 | 173.7 | 0 | 0 | 0 | 113.2 | T228 Q229 L230 | T228-L232 WeakPolarHBondContact O-CG 3.41Å; T228-L232 PolarHBondContact O-N 2.86Å; T228-L232 VanDerWaalsContact O-N 3.13Å; Q229-L232 PolarHBondContact O-N 3.37Å; L230-L232 PolarHBondContact O-N 3.21Å |
| 233 | G | 89.3 | Confident | 93 | Very high | 59 Ų | 59 | 75.4 Ų | 75.4 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L230 S231 | L230-G233 PolarHBondContact O-N 3.28Å; S231-G233 PolarHBondContact O-N 2.95Å |
| 234 | R | 87.9 | Confident | 92.9 | Very high | 137 Ų | 137 | 77.4 Ų | 77.4 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | trans | -69.7 | 145.6 | 170.5 | -60.8 | -164.7 | -179.3 | -159.7 | 1.8 | 110.1 | L187 Q229 L230 | L187-R234 HydrophobicContact CD2-CB 4.28Å; Q229-R234 WeakPolarHBondContact O-CB 3.49Å; Q229-R234 PolarHBondContact O-N 3.37Å; L230-R234 VanDerWaalsContact CD2-O 3.28Å; L230-R234 WeakPolarHBondContact CD2-O 3.5Å | ||
| 235 | R | 89.8 | Confident | 92.9 | Very high | 217 Ų | 217 | 69.6 Ų | 69.6 | 82% | 0.819 | 36% | 0.362 | S | S | * | . | trans | -110.1 | 133.1 | 177.9 | -63.7 | -172.2 | -178.1 | -166.6 | 0.2 | 110 | ||||
| 236 | P | 92.3 | Very high | 92.9 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 25% | 0.253 | 36% | 0.363 | S | S | . | . | trans | -73.5 | 147.4 | 176.7 | 33.8 | -31.6 | 0 | 0 | 0 | 109.4 | V186 L187 L230 I238 W241 | V186-P236 HydrophobicContact CG1-CB 3.95Å; V186-P236 CarbonylContact O-C 3.54Å; V186-P236 VanDerWaalsContact O-CA 3.25Å; V186-P236 WeakPolarHBondContact O-CA 3.4Å; L187-P236 HydrophobicContact CD2-CB 4.38Å; L230-P236 HydrophobicContact CD2-CB 4.26Å; L230-P236 HydrophobicContact CD2-CG 4.12Å; P236-I238 WeakPolarHBondContact CB-O 3.38Å; P236-W241 HydrophobicContact CB-CG 4.43Å | ||
| 237 | I | 89.3 | Confident | 92.9 | Very high | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -67.9 | -41.9 | 174.3 | -64 | 142.4 | 0 | 0 | 0 | 110 | R158 I185 V186 Y188 I203 H204 | R158-I237 VanDerWaalsContact CZ-CD1 3.42Å; R158-I237 VanDerWaalsContact NH1-CG1 3.3Å; I185-I237 WeakPolarHBondContact O-CD1 3.22Å; V186-I237 WeakPolarHBondContact O-CD1 3.4Å; V186-I237 PolarHBondContact O-N 2.86Å; Y188-I237 VanDerWaalsContact O-CD1 3.29Å; Y188-I237 WeakPolarHBondContact O-CD1 3.36Å; I203-I237 HydrophobicContact CG2-CG2 4.46Å; H204-I237 PolarHBondContact NE2-O 3.46Å |
| 238 | I | 90.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -101.8 | 117.9 | 176.2 | -54.9 | 157.7 | 0 | 0 | 0 | 107.6 | A207 K208 P236 N240 W241 Y244 | A207-I238 HydrophobicContact CB-CD1 3.5Å; A207-I238 VanDerWaalsContact CB-CD1 3.5Å; A207-I238 HydrophobicContact CB-CG1 4.02Å; K208-I238 HydrophobicContact CB-CD1 4.31Å; K208-I238 HydrophobicContact CG-CD1 3.6Å; K208-I238 HydrophobicContact CG-CG1 4.27Å; K208-I238 HydrophobicContact CG-CG2 4.4Å; P236-I238 WeakPolarHBondContact CB-O 3.38Å; I238-N240 VanDerWaalsContact C-N 3.29Å; I238-N240 VanDerWaalsContact CG2-OD1 3.25Å; I238-N240 WeakPolarHBondContact CG2-OD1 3.49Å; I238-N240 PolarHBondContact O-N 3.26Å; I238-W241 HydrophobicContact CB-CB 4.34Å; I238-W241 WeakPolarHBondContact O-CB 3.02Å; I238-W241 PolarHBondContact O-N 2.82Å; I238-Y244 HydrophobicContact CG2-CD2 4.45Å; I238-Y244 HydrophobicContact CG2-CE2 3.89Å |
| 239 | S | 88.8 | Confident | 92.8 | Very high | 110 Ų | 110 | 64.2 Ų | 64.2 | 77% | 0.769 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -41.4 | -179.8 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 240 | N | 92.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 34 | 179.7 | 76.3 | -43.9 | 0 | 0 | 0 | 113.6 | I238 F242 D243 Y244 | I238-N240 VanDerWaalsContact C-N 3.29Å; I238-N240 VanDerWaalsContact CG2-OD1 3.25Å; I238-N240 WeakPolarHBondContact CG2-OD1 3.49Å; I238-N240 PolarHBondContact O-N 3.26Å; N240-F242 PolarHBondContact O-N 3.13Å; N240-D243 WeakPolarHBondContact CB-OD2 3.47Å; N240-D243 PolarHBondContact ND2-OD2 3.35Å; N240-D243 WeakPolarHBondContact O-CB 3.3Å; N240-D243 PolarHBondContact O-N 3.36Å; N240-Y244 WeakPolarHBondContact O-CD2 3.38Å; N240-Y244 WeakPolarHBondContact O-CE2 3.35Å |
| 241 | W | 94.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 71.1 Ų | 71.1 | 6% | 0.064 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -50.3 | -31.3 | -179.7 | 63.9 | -88.2 | 0 | 0 | 0 | 114.1 | V186 L211 V223 I226 K227 L230 P236 I238 D243 Y244 I245 | V186-W241 HydrophobicContact CG1-CB 4.18Å; V186-W241 HydrophobicContact CG1-CD2 4.36Å; V186-W241 HydrophobicContact CG1-CG 4.08Å; L211-W241 HydrophobicContact CD2-CB 4.33Å; L211-W241 WeakPolarHBondContact CD2-O 3.5Å; V223-W241 HydrophobicContact CG1-CH2 4.1Å; V223-W241 HydrophobicContact CG2-CZ3 4.43Å; I226-W241 HydrophobicContact CB-CH2 3.76Å; I226-W241 HydrophobicContact CB-CZ2 4.37Å; I226-W241 HydrophobicContact CB-CZ3 4.03Å; I226-W241 HydrophobicContact CD1-CE3 4.11Å; I226-W241 HydrophobicContact CD1-CH2 4.16Å; I226-W241 HydrophobicContact CD1-CZ3 3.53Å; I226-W241 HydrophobicContact CG1-CZ3 4.37Å; I226-W241 HydrophobicContact CG2-CD2 4.24Å; I226-W241 HydrophobicContact CG2-CE3 4.09Å; I226-W241 HydrophobicContact CG2-CH2 3.43Å; I226-W241 VanDerWaalsContact CG2-CH2 3.43Å; I226-W241 HydrophobicContact CG2-CZ2 3.62Å; I226-W241 HydrophobicContact CG2-CZ3 3.7Å; K227-W241 HydrophobicContact CG-CH2 4.43Å; K227-W241 HydrophobicContact CG-CZ2 4.43Å; L230-W241 HydrophobicContact CD1-CZ2 3.79Å; P236-W241 HydrophobicContact CB-CG 4.43Å; I238-W241 HydrophobicContact CB-CB 4.34Å; I238-W241 WeakPolarHBondContact O-CB 3.02Å; I238-W241 PolarHBondContact O-N 2.82Å; W241-D243 VanDerWaalsContact C-N 3.26Å; W241-D243 PolarHBondContact O-N 2.81Å; W241-Y244 PolarHBondContact O-N 3.38Å; W241-I245 HydrophobicContact CE3-CD1 3.79Å; W241-I245 HydrophobicContact CZ3-CD1 3.72Å |
| 242 | F | 94.6 | Very high | 92.6 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 30% | 0.303 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -63.8 | -31 | -177.5 | -171.7 | -115.7 | 0 | 0 | 0 | 112.6 | V223 N240 Y244 I245 Y250 | V223-F242 HydrophobicContact CB-CE2 4.37Å; V223-F242 HydrophobicContact CG1-CD2 4.05Å; V223-F242 HydrophobicContact CG1-CE2 3.59Å; V223-F242 HydrophobicContact CG2-CD2 4.24Å; V223-F242 HydrophobicContact CG2-CE2 3.88Å; N240-F242 PolarHBondContact O-N 3.13Å; F242-Y244 PolarHBondContact O-N 2.9Å; F242-I245 PolarHBondContact O-N 3.25Å; F242-Y250 HydrophobicContact CE2-CD2 4.34Å; F242-Y250 AromaticContact CE2-CE1 3.92Å; F242-Y250 HydrophobicContact CE2-CE1 3.92Å; F242-Y250 AromaticContact CE2-CE2 3.77Å; F242-Y250 HydrophobicContact CE2-CE2 3.77Å; F242-Y250 AromaticContact CE2-CZ 3.54Å; F242-Y250 HydrophobicContact CZ-CE1 4.08Å; F242-Y250 AromaticContact CZ-CE2 3.55Å; F242-Y250 HydrophobicContact CZ-CE2 3.55Å; F242-Y250 AromaticContact CZ-CZ 3.29Å; F242-Y250 WeakPolarHBondContact CZ-OH 3.47Å |
| 243 | D | 94.8 | Very high | 92.4 | Very high | 115 Ų | 115 | 69.4 Ų | 69.4 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -68.2 | -20.8 | -179.4 | -58.6 | -16.6 | 0 | 0 | 0 | 112.6 | N240 W241 | N240-D243 WeakPolarHBondContact CB-OD2 3.47Å; N240-D243 PolarHBondContact ND2-OD2 3.35Å; N240-D243 WeakPolarHBondContact O-CB 3.3Å; N240-D243 PolarHBondContact O-N 3.36Å; W241-D243 VanDerWaalsContact C-N 3.26Å; W241-D243 PolarHBondContact O-N 2.81Å |
| 244 | Y | 94.6 | Very high | 92.6 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -92 | 2.1 | -178.5 | -58.4 | -84.9 | 0 | 0 | 0 | 113.1 | K208 V212 I238 N240 W241 F242 | K208-Y244 HydrophobicContact CB-CD1 3.93Å; K208-Y244 HydrophobicContact CB-CE1 3.75Å; K208-Y244 HydrophobicContact CB-CG 4.5Å; K208-Y244 HydrophobicContact CD-CE1 3.63Å; K208-Y244 HydrophobicContact CD-CE2 4.22Å; K208-Y244 VanDerWaalsContact CD-CZ 3.42Å; K208-Y244 WeakPolarHBondContact CD-OH 3.45Å; K208-Y244 WeakPolarHBondContact CE-OH 3.49Å; K208-Y244 HydrophobicContact CG-CD1 4.06Å; K208-Y244 HydrophobicContact CG-CD2 4.31Å; K208-Y244 HydrophobicContact CG-CE1 3.56Å; K208-Y244 HydrophobicContact CG-CE2 3.84Å; K208-Y244 HydrophobicContact CG-CG 4.42Å; K208-Y244 VanDerWaalsContact CG-CZ 3.44Å; K208-Y244 PolarHBondContact NZ-OH 3.4Å; V212-Y244 HydrophobicContact CG2-CD1 4.2Å; I238-Y244 HydrophobicContact CG2-CD2 4.45Å; I238-Y244 HydrophobicContact CG2-CE2 3.89Å; N240-Y244 WeakPolarHBondContact O-CD2 3.38Å; N240-Y244 WeakPolarHBondContact O-CE2 3.35Å; W241-Y244 PolarHBondContact O-N 3.38Å; F242-Y244 PolarHBondContact O-N 2.9Å |
| 245 | I | 95.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -109.8 | 112.9 | 173.9 | -54.8 | 174.4 | 0 | 0 | 0 | 107.3 | L211 I221 V223 I226 W241 F242 R249 Y250 | L211-I245 HydrophobicContact CD1-CD1 4.26Å; L211-I245 HydrophobicContact CD1-CG1 4.01Å; L211-I245 HydrophobicContact CD2-CG1 4.1Å; L211-I245 HydrophobicContact CG-CG1 4.09Å; I221-I245 HydrophobicContact CB-CG2 4.14Å; I221-I245 HydrophobicContact CD1-CG2 4.08Å; I221-I245 HydrophobicContact CG2-CD1 3.94Å; I221-I245 HydrophobicContact CG2-CG2 4.33Å; V223-I245 HydrophobicContact CG2-CD1 4.36Å; I226-I245 HydrophobicContact CD1-CD1 3.97Å; W241-I245 HydrophobicContact CE3-CD1 3.79Å; W241-I245 HydrophobicContact CZ3-CD1 3.72Å; F242-I245 PolarHBondContact O-N 3.25Å; I245-R249 HydrophobicContact CG2-CB 4.1Å; I245-Y250 HydrophobicContact CB-CD1 4.4Å; I245-Y250 HydrophobicContact CG2-CD1 3.71Å; I245-Y250 HydrophobicContact CG2-CE1 4.28Å; I245-Y250 WeakPolarHBondContact O-CE1 3.36Å |
| 246 | P | 95.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | trans | -57.3 | 142.1 | 175.9 | -23.9 | 33.4 | 0 | 0 | 0 | 111.8 | T248 R249 Y250 | P246-T248 PolarHBondContact O-N 3.22Å; P246-R249 HydrophobicContact CB-CG 4.2Å; P246-R249 HydrophobicContact CG-CG 4.34Å; P246-R249 WeakPolarHBondContact O-CB 3.02Å; P246-R249 PolarHBondContact O-N 3.29Å; P246-Y250 VanDerWaalsContact O-CD1 3.29Å; P246-Y250 WeakPolarHBondContact O-CD1 3.22Å; P246-Y250 WeakPolarHBondContact O-CE1 3.29Å | ||
| 247 | S | 94.9 | Very high | 93.3 | Very high | 46 Ų | 46 | 63.9 Ų | 63.9 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -59 | -30.7 | 179.9 | 66.4 | 0 | 0 | 0 | 0 | 113 | R249 Y250 K251 D252 | S247-R249 PolarHBondContact O-N 2.94Å; S247-R249 VanDerWaalsContact O-N 3.1Å; S247-Y250 VanDerWaalsContact CA-CE1 3.41Å; S247-Y250 PolarHBondContact O-N 3.43Å; S247-Y250 VanDerWaalsContact O-N 3.12Å; S247-K251 PolarHBondContact O-N 3.38Å; S247-D252 WeakPolarHBondContact CB-OD2 3.35Å; S247-D252 PolarHBondContact O-N 3.21Å; S247-D252 PolarHBondContact OG-OD2 3.37Å |
| 248 | T | 94.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 14% | 0.135 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -66.9 | -2.2 | 173.2 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | P246 D252 P253 C254 E255 | P246-T248 PolarHBondContact O-N 3.22Å; T248-D252 CarbonylContact C-O 3.46Å; T248-D252 WeakPolarHBondContact CA-O 3.47Å; T248-D252 HydrophobicContact CG2-CB 4.14Å; T248-P253 WeakPolarHBondContact CB-O 3.48Å; T248-P253 WeakPolarHBondContact CG2-O 3.4Å; T248-C254 PolarHBondContact O-SG 3.42Å; T248-E255 VanDerWaalsContact CB-OE1 3.26Å; T248-E255 WeakPolarHBondContact CB-OE1 3.21Å; T248-E255 HydrophobicContact CG2-CG 4.25Å; T248-E255 VanDerWaalsContact CG2-OE1 3.23Å; T248-E255 WeakPolarHBondContact CG2-OE1 3.23Å; T248-E255 PolarHBondContact OG1-OE1 3.39Å; T248-E255 PolarHBondContact OG1-OE2 3.18Å |
| 249 | R | 95.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 66 Ų | 66 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -104.4 | -9.5 | 172.8 | -59.1 | -65.4 | 172.2 | -81.3 | -9.2 | 113.4 | S215 L218 S219 V220 I221 I245 P246 S247 C254 E255 H258 | S215-R249 PolarHBondContact O-NE 3.27Å; L218-R249 WeakPolarHBondContact O-CD 3.36Å; L218-R249 PolarHBondContact O-NE 2.99Å; S219-R249 VanDerWaalsContact O-CD 3.3Å; S219-R249 WeakPolarHBondContact O-CD 3.33Å; V220-R249 CarbonylContact C-O 3.52Å; V220-R249 VanDerWaalsContact CA-O 3.27Å; V220-R249 WeakPolarHBondContact CA-O 3.49Å; I221-R249 PolarHBondContact N-O 3.36Å; I245-R249 HydrophobicContact CG2-CB 4.1Å; P246-R249 HydrophobicContact CB-CG 4.2Å; P246-R249 HydrophobicContact CG-CG 4.34Å; P246-R249 WeakPolarHBondContact O-CB 3.02Å; P246-R249 PolarHBondContact O-N 3.29Å; S247-R249 PolarHBondContact O-N 2.94Å; S247-R249 VanDerWaalsContact O-N 3.1Å; R249-C254 PolarHBondContact NH1-SG 3.43Å; R249-E255 IonicContact CZ-OE2 2.96Å; R249-E255 IonicContact NH1-OE1 3.34Å; R249-E255 IonicContact NH1-OE2 3.08Å; R249-E255 PolarHBondContact NH1-OE2 2.91Å; R249-E255 IonicContact NH2-OE2 2.74Å; R249-E255 PolarHBondContact NH2-OE2 3.22Å; R249-H258 PolarHBondContact NE-CD2 3.4Å; R249-H258 PolarHBondContact NE-NE2 2.97Å; R249-H258 VanDerWaalsContact NE-NE2 3.13Å; R249-H258 VanDerWaalsContact NH2-CB 3.35Å; R249-H258 PolarHBondContact NH2-CD2 2.77Å; R249-H258 PolarHBondContact NH2-CE1 3.32Å; R249-H258 PolarHBondContact NH2-ND1 3.06Å; R249-H258 VanDerWaalsContact NH2-ND1 3.1Å; R249-H258 PolarHBondContact NH2-NE2 3.26Å |
| 250 | Y | 94.1 | Very high | 94.2 | Very high | 73 Ų | 73 | 63.4 Ų | 63.4 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | -14.5 | -176.7 | 70.2 | -97.3 | 0 | 0 | 0 | 115.7 | I221 V223 F242 I245 P246 S247 | I221-Y250 WeakPolarHBondContact O-CB 3.48Å; V223-Y250 HydrophobicContact CB-CD2 4.36Å; V223-Y250 HydrophobicContact CB-CG 4.3Å; V223-Y250 HydrophobicContact CG2-CD1 3.82Å; V223-Y250 HydrophobicContact CG2-CD2 3.93Å; V223-Y250 HydrophobicContact CG2-CE1 4.49Å; V223-Y250 HydrophobicContact CG2-CG 3.49Å; V223-Y250 VanDerWaalsContact CG2-CG 3.49Å; F242-Y250 HydrophobicContact CE2-CD2 4.34Å; F242-Y250 AromaticContact CE2-CE1 3.92Å; F242-Y250 HydrophobicContact CE2-CE1 3.92Å; F242-Y250 AromaticContact CE2-CE2 3.77Å; F242-Y250 HydrophobicContact CE2-CE2 3.77Å; F242-Y250 AromaticContact CE2-CZ 3.54Å; F242-Y250 HydrophobicContact CZ-CE1 4.08Å; F242-Y250 AromaticContact CZ-CE2 3.55Å; F242-Y250 HydrophobicContact CZ-CE2 3.55Å; F242-Y250 AromaticContact CZ-CZ 3.29Å; F242-Y250 WeakPolarHBondContact CZ-OH 3.47Å; I245-Y250 HydrophobicContact CB-CD1 4.4Å; I245-Y250 HydrophobicContact CG2-CD1 3.71Å; I245-Y250 HydrophobicContact CG2-CE1 4.28Å; I245-Y250 WeakPolarHBondContact O-CE1 3.36Å; P246-Y250 VanDerWaalsContact O-CD1 3.29Å; P246-Y250 WeakPolarHBondContact O-CD1 3.22Å; P246-Y250 WeakPolarHBondContact O-CE1 3.29Å; S247-Y250 VanDerWaalsContact CA-CE1 3.41Å; S247-Y250 PolarHBondContact O-N 3.43Å; S247-Y250 VanDerWaalsContact O-N 3.12Å |
| 251 | K | 92.1 | Very high | 94.4 | Very high | 160 Ų | 160 | 61.1 Ų | 61.1 | 70% | 0.696 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | -54.9 | -175.8 | -178.7 | -173.9 | 175.4 | -169.9 | 0 | 111.3 | S247 | S247-K251 PolarHBondContact O-N 3.38Š|
| 252 | D | 92.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -93.2 | 159.5 | -175.8 | -50.6 | -46.1 | 0 | 0 | 0 | 110.4 | S247 T248 | S247-D252 WeakPolarHBondContact CB-OD2 3.35Å; S247-D252 PolarHBondContact O-N 3.21Å; S247-D252 PolarHBondContact OG-OD2 3.37Å; T248-D252 CarbonylContact C-O 3.46Å; T248-D252 WeakPolarHBondContact CA-O 3.47Å; T248-D252 HydrophobicContact CG2-CB 4.14Å |
| 253 | P | 89.1 | Confident | 94.6 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 76% | 0.76 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -57 | 142.8 | 172.1 | -23.8 | 34.3 | 0 | 0 | 0 | 112.1 | T248 | T248-P253 WeakPolarHBondContact CB-O 3.48Å; T248-P253 WeakPolarHBondContact CG2-O 3.4Å |
| 254 | C | 93.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 60.9 Ų | 60.9 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 142.1 | 172.8 | -84 | 0 | 0 | 0 | 0 | 111.5 | S219 T248 R249 L259 | S219-C254 PolarHBondContact O-SG 2.77Å; T248-C254 PolarHBondContact O-SG 3.42Å; R249-C254 PolarHBondContact NH1-SG 3.43Å; C254-L259 HydrophobicContact CB-CD1 4.34Å; C254-L259 HydrophobicContact CB-CD2 3.7Å; C254-L259 HydrophobicContact CB-CG 3.85Å |
| 255 | E | 94.6 | Very high | 94.9 | Very high | 80 Ų | 80 | 58.4 Ų | 58.4 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 139.7 | 174.6 | -50.8 | 86.2 | 170.1 | 0 | 0 | 110.2 | T248 R249 L257 H258 L259 | T248-E255 VanDerWaalsContact CB-OE1 3.26Å; T248-E255 WeakPolarHBondContact CB-OE1 3.21Å; T248-E255 HydrophobicContact CG2-CG 4.25Å; T248-E255 VanDerWaalsContact CG2-OE1 3.23Å; T248-E255 WeakPolarHBondContact CG2-OE1 3.23Å; T248-E255 PolarHBondContact OG1-OE1 3.39Å; T248-E255 PolarHBondContact OG1-OE2 3.18Å; R249-E255 IonicContact CZ-OE2 2.96Å; R249-E255 IonicContact NH1-OE1 3.34Å; R249-E255 IonicContact NH1-OE2 3.08Å; R249-E255 PolarHBondContact NH1-OE2 2.91Å; R249-E255 IonicContact NH2-OE2 2.74Å; R249-E255 PolarHBondContact NH2-OE2 3.22Å; E255-L257 PolarHBondContact O-N 2.85Å; E255-H258 HydrophobicContact CB-CB 4.48Å; E255-H258 WeakPolarHBondContact O-CA 3.44Å; E255-H258 WeakPolarHBondContact O-CB 3.46Å; E255-H258 PolarHBondContact O-N 2.95Å; E255-L259 PolarHBondContact O-N 2.87Å |
| 256 | L | 94.8 | Very high | 94.9 | Very high | 133 Ų | 133 | 62.5 Ų | 62.5 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.4 | -40.5 | 177.4 | 179 | 61.3 | 0 | 0 | 0 | 111.8 | H258 L259 C260 | L256-H258 VanDerWaalsContact C-N 3.27Å; L256-H258 PolarHBondContact O-N 3.28Å; L256-L259 PolarHBondContact O-N 3.03Å; L256-C260 PolarHBondContact O-N 3.08Å; L256-C260 PolarHBondContact O-SG 3.5Å |
| 257 | L | 94.3 | Very high | 95 | Very high | 97 Ų | 97 | 66 Ų | 66 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 176.4 | 180 | 64.1 | 0 | 0 | 0 | 112.4 | E255 R261 Y290 | E255-L257 PolarHBondContact O-N 2.85Å; L257-R261 PolarHBondContact O-N 2.83Å; L257-R261 VanDerWaalsContact O-N 3.08Å; L257-Y290 HydrophobicContact CD1-CE1 4.16Å; L257-Y290 HydrophobicContact CD2-CE1 4.31Å; L257-Y290 HydrophobicContact CD2-CE2 4.17Å; L257-Y290 HydrophobicContact CG-CE1 3.83Å |
| 258 | H | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.3 | -42.9 | 178 | -177 | 76.3 | 0 | 0 | 0 | 111.3 | S215 R216 L218 R249 E255 L256 C260 R261 L262 | S215-H258 PolarHBondContact O-CE1 3.01Å; S215-H258 VanDerWaalsContact O-CE1 3.28Å; R216-H258 PolarHBondContact O-CE1 3.29Å; R216-H258 VanDerWaalsContact O-CE1 3.23Å; L218-H258 PolarHBondContact O-NE2 3.31Å; R249-H258 PolarHBondContact NE-CD2 3.4Å; R249-H258 PolarHBondContact NE-NE2 2.97Å; R249-H258 VanDerWaalsContact NE-NE2 3.13Å; R249-H258 VanDerWaalsContact NH2-CB 3.35Å; R249-H258 PolarHBondContact NH2-CD2 2.77Å; R249-H258 PolarHBondContact NH2-CE1 3.32Å; R249-H258 PolarHBondContact NH2-ND1 3.06Å; R249-H258 VanDerWaalsContact NH2-ND1 3.1Å; R249-H258 PolarHBondContact NH2-NE2 3.26Å; E255-H258 HydrophobicContact CB-CB 4.48Å; E255-H258 WeakPolarHBondContact O-CA 3.44Å; E255-H258 WeakPolarHBondContact O-CB 3.46Å; E255-H258 PolarHBondContact O-N 2.95Å; L256-H258 VanDerWaalsContact C-N 3.27Å; L256-H258 PolarHBondContact O-N 3.28Å; H258-C260 VanDerWaalsContact C-N 3.28Å; H258-C260 PolarHBondContact O-N 3.12Å; H258-R261 PolarHBondContact ND1-NH1 2.77Å; H258-R261 WeakPolarHBondContact O-CA 3.26Å; H258-R261 WeakPolarHBondContact O-CB 3.45Å; H258-R261 PolarHBondContact O-N 3.16Å; H258-L262 WeakPolarHBondContact O-CG 3.37Å; H258-L262 PolarHBondContact O-N 3.17Å |
| 259 | L | 96.2 | Very high | 95 | Very high | 73 Ų | 73 | 64 Ų | 64 | 38% | 0.382 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 173.8 | -65.9 | 176.8 | 0 | 0 | 0 | 111.1 | C254 E255 L256 R261 L262 T263 | C254-L259 HydrophobicContact CB-CD1 4.34Å; C254-L259 HydrophobicContact CB-CD2 3.7Å; C254-L259 HydrophobicContact CB-CG 3.85Å; E255-L259 PolarHBondContact O-N 2.87Å; L256-L259 PolarHBondContact O-N 3.03Å; L259-R261 PolarHBondContact O-N 3.19Å; L259-L262 PolarHBondContact O-N 3.32Å; L259-T263 PolarHBondContact O-N 2.87Å; L259-T263 PolarHBondContact O-OG1 3.01Å; L259-T263 VanDerWaalsContact O-OG1 3.06Å |
| 260 | C | 96 | Very high | 94.9 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.7 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | L256 H258 L262 T263 I264 | L256-C260 PolarHBondContact O-N 3.08Å; L256-C260 PolarHBondContact O-SG 3.5Å; H258-C260 VanDerWaalsContact C-N 3.28Å; H258-C260 PolarHBondContact O-N 3.12Å; C260-L262 PolarHBondContact O-N 2.85Å; C260-T263 PolarHBondContact O-N 3.18Å; C260-I264 WeakPolarHBondContact O-CB 3.5Å; C260-I264 WeakPolarHBondContact O-CD1 3.48Å; C260-I264 VanDerWaalsContact O-CG1 3.28Å; C260-I264 WeakPolarHBondContact O-CG1 3.47Å; C260-I264 PolarHBondContact O-N 3.4Å |
| 261 | R | 96.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 3% | 0.034 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 173.5 | 164.3 | -163.2 | -77.1 | 160.9 | -10.1 | 111.1 | R216 L257 H258 L259 T263 I264 R265 Y290 L291 | R216-R261 WeakPolarHBondContact O-CD 3.46Å; R216-R261 PolarHBondContact O-NH1 3.46Å; L257-R261 PolarHBondContact O-N 2.83Å; L257-R261 VanDerWaalsContact O-N 3.08Å; H258-R261 PolarHBondContact ND1-NH1 2.77Å; H258-R261 WeakPolarHBondContact O-CA 3.26Å; H258-R261 WeakPolarHBondContact O-CB 3.45Å; H258-R261 PolarHBondContact O-N 3.16Å; L259-R261 PolarHBondContact O-N 3.19Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 3.25Å; R261-I264 PolarHBondContact O-N 2.77Å; R261-R265 HydrophobicContact CG-CG 4.23Å; R261-R265 VanDerWaalsContact O-CB 3.3Å; R261-R265 WeakPolarHBondContact O-CB 3.25Å; R261-R265 VanDerWaalsContact O-CG 3.3Å; R261-R265 WeakPolarHBondContact O-CG 3.48Å; R261-R265 PolarHBondContact O-N 2.95Å; R261-Y290 HydrophobicContact CB-CD1 4.26Å; R261-Y290 HydrophobicContact CB-CE1 3.67Å; R261-Y290 HydrophobicContact CG-CE1 4.29Å; R261-Y290 VanDerWaalsContact CZ-O 3.26Å; R261-Y290 PolarHBondContact NE-O 3.43Å; R261-Y290 PolarHBondContact NH1-OH 3.13Å; R261-Y290 VanDerWaalsContact NH2-CG 3.26Å; R261-Y290 PolarHBondContact NH2-O 2.79Å; R261-L291 HydrophobicContact CB-CD2 3.9Å; R261-L291 HydrophobicContact CG-CD2 3.96Å |
| 262 | L | 96.5 | Very high | 94.8 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | -178.1 | -61.8 | -173.7 | 0 | 0 | 0 | 111 | V217 H258 L259 C260 N266 | V217-L262 WeakPolarHBondContact O-CD2 3.11Å; H258-L262 WeakPolarHBondContact O-CG 3.37Å; H258-L262 PolarHBondContact O-N 3.17Å; L259-L262 PolarHBondContact O-N 3.32Å; C260-L262 PolarHBondContact O-N 2.85Å; L262-N266 WeakPolarHBondContact O-CB 3.44Å; L262-N266 PolarHBondContact O-N 2.66Å |
| 263 | T | 96.9 | Very high | 94.9 | Very high | 99 Ų | 99 | 63.1 Ų | 63.1 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.5 | -48.5 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | L259 C260 R261 N266 Q267 | L259-T263 PolarHBondContact O-N 2.87Å; L259-T263 PolarHBondContact O-OG1 3.01Å; L259-T263 VanDerWaalsContact O-OG1 3.06Å; C260-T263 PolarHBondContact O-N 3.18Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 3.25Å; T263-N266 PolarHBondContact O-N 3.35Å; T263-Q267 PolarHBondContact O-N 2.6Å |
| 264 | I | 97.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 33% | 0.328 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 179.6 | -67.9 | 162.1 | 0 | 0 | 0 | 110.8 | C260 R261 N266 Q267 L268 L281 L291 | C260-I264 WeakPolarHBondContact O-CB 3.5Å; C260-I264 WeakPolarHBondContact O-CD1 3.48Å; C260-I264 VanDerWaalsContact O-CG1 3.28Å; C260-I264 WeakPolarHBondContact O-CG1 3.47Å; C260-I264 PolarHBondContact O-N 3.4Å; R261-I264 PolarHBondContact O-N 2.77Å; I264-N266 VanDerWaalsContact C-N 3.34Å; I264-N266 PolarHBondContact O-N 2.78Å; I264-Q267 WeakPolarHBondContact O-CB 3.46Å; I264-Q267 PolarHBondContact O-N 3.3Å; I264-L268 HydrophobicContact CG2-CD1 4.21Å; I264-L268 WeakPolarHBondContact O-CG 3.29Å; I264-L268 PolarHBondContact O-N 2.62Å; I264-L281 HydrophobicContact CG2-CD1 3.81Å; I264-L291 HydrophobicContact CB-CD2 4.11Å; I264-L291 HydrophobicContact CD1-CD2 4.31Å; I264-L291 HydrophobicContact CG2-CD1 3.82Å; I264-L291 HydrophobicContact CG2-CD2 4.09Å |
| 265 | R | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.2 | -74.8 | 178.7 | 62.3 | 75.7 | 7.6 | 111.4 | L167 E173 R261 Q267 L268 L269 L274 L291 | L167-R265 PolarHBondContact O-NH2 3.42Å; E173-R265 IonicContact OE1-CZ 2.82Å; E173-R265 IonicContact OE1-NE 3.22Å; E173-R265 PolarHBondContact OE1-NE 3.43Å; E173-R265 IonicContact OE1-NH2 3.88Å; E173-R265 PolarHBondContact OE1-NH2 2.93Å; E173-R265 IonicContact OE2-NH2 2.92Å; R261-R265 HydrophobicContact CG-CG 4.23Å; R261-R265 VanDerWaalsContact O-CB 3.3Å; R261-R265 WeakPolarHBondContact O-CB 3.25Å; R261-R265 VanDerWaalsContact O-CG 3.3Å; R261-R265 WeakPolarHBondContact O-CG 3.48Å; R261-R265 PolarHBondContact O-N 2.95Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.96Å; R265-L268 PolarHBondContact O-N 2.94Å; R265-L269 WeakPolarHBondContact O-CB 3.41Å; R265-L269 PolarHBondContact O-N 3.18Å; R265-L274 HydrophobicContact CB-CD1 4.31Å; R265-L291 WeakPolarHBondContact CD-O 3.26Å; R265-L291 HydrophobicContact CG-CD2 4.41Å; R265-L291 PolarHBondContact NH1-O 3.37Å |
| 266 | N | 96.1 | Very high | 95.2 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 178.1 | -170.2 | 45.4 | 0 | 0 | 0 | 112.1 | L262 T263 I264 L269 T270 | L262-N266 WeakPolarHBondContact O-CB 3.44Å; L262-N266 PolarHBondContact O-N 2.66Å; T263-N266 PolarHBondContact O-N 3.35Å; I264-N266 VanDerWaalsContact C-N 3.34Å; I264-N266 PolarHBondContact O-N 2.78Å; N266-L269 PolarHBondContact O-N 2.9Å; N266-T270 WeakPolarHBondContact O-CB 3.38Å; N266-T270 PolarHBondContact O-N 2.78Å; N266-T270 PolarHBondContact O-OG1 3.35Å |
| 267 | Q | 96.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 50.6 Ų | 50.6 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 173.9 | -173.3 | 62.9 | 16.1 | 0 | 0 | 111.4 | T263 I264 R265 L269 T270 N271 | T263-Q267 PolarHBondContact O-N 2.6Å; I264-Q267 WeakPolarHBondContact O-CB 3.46Å; I264-Q267 PolarHBondContact O-N 3.3Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.96Å; Q267-L269 VanDerWaalsContact C-N 3.34Å; Q267-L269 PolarHBondContact O-N 2.74Å; Q267-T270 PolarHBondContact O-N 3.24Å; Q267-N271 PolarHBondContact NE2-ND2 3.4Å; Q267-N271 PolarHBondContact O-N 3.5Å; Q267-N271 PolarHBondContact O-ND2 3.26Å |
| 268 | L | 96.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.094 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.4 | -68.4 | 173.7 | 0 | 0 | 0 | 111.6 | I264 R265 T270 N271 N272 M273 L274 I278 L281 | I264-L268 HydrophobicContact CG2-CD1 4.21Å; I264-L268 WeakPolarHBondContact O-CG 3.29Å; I264-L268 PolarHBondContact O-N 2.62Å; R265-L268 PolarHBondContact O-N 2.94Å; L268-T270 PolarHBondContact O-N 3.1Å; L268-N271 CarbonylContact O-C 3.54Å; L268-N271 PolarHBondContact O-N 3.4Å; L268-N272 PolarHBondContact O-N 2.92Å; L268-N272 VanDerWaalsContact O-N 3.15Å; L268-M273 HydrophobicContact CB-CB 4.15Å; L268-M273 HydrophobicContact CD2-CB 3.84Å; L268-M273 WeakPolarHBondContact O-CB 3.05Å; L268-M273 PolarHBondContact O-N 2.9Å; L268-L274 HydrophobicContact CB-CD2 3.65Å; L268-L274 HydrophobicContact CB-CG 3.79Å; L268-L274 HydrophobicContact CD1-CD2 3.71Å; L268-L274 HydrophobicContact CG-CD2 4.36Å; L268-I278 HydrophobicContact CD1-CB 4.38Å; L268-I278 HydrophobicContact CD1-CG1 3.51Å; L268-L281 HydrophobicContact CD1-CD1 4.22Å |
| 269 | L | 94.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 179.7 | -175.2 | 62.2 | 0 | 0 | 0 | 112.2 | Q123 E173 R174 R265 N266 Q267 N271 N272 L274 | Q123-L269 PolarHBondContact NE2-O 2.66Å; E173-L269 HydrophobicContact CB-CD2 3.6Å; E173-L269 HydrophobicContact CG-CD2 4.42Å; R174-L269 HydrophobicContact CG-CD1 4.39Å; R174-L269 HydrophobicContact CG-CD2 4.03Å; R174-L269 HydrophobicContact CG-CG 4.44Å; R174-L269 PolarHBondContact NH2-O 2.89Å; R174-L269 VanDerWaalsContact NH2-O 3.16Å; R265-L269 WeakPolarHBondContact O-CB 3.41Å; R265-L269 PolarHBondContact O-N 3.18Å; N266-L269 PolarHBondContact O-N 2.9Å; Q267-L269 VanDerWaalsContact C-N 3.34Å; Q267-L269 PolarHBondContact O-N 2.74Å; L269-N271 PolarHBondContact O-N 3.35Å; L269-N272 PolarHBondContact O-N 3.16Å; L269-N272 VanDerWaalsContact O-N 3.07Å; L269-L274 HydrophobicContact CB-CD1 3.94Å; L269-L274 HydrophobicContact CB-CG 4.41Å; L269-L274 HydrophobicContact CD1-CD1 4.15Å |
| 270 | T | 92.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -35 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | N266 Q267 L268 N272 | N266-T270 WeakPolarHBondContact O-CB 3.38Å; N266-T270 PolarHBondContact O-N 2.78Å; N266-T270 PolarHBondContact O-OG1 3.35Å; Q267-T270 PolarHBondContact O-N 3.24Å; L268-T270 PolarHBondContact O-N 3.1Å; T270-N272 VanDerWaalsContact C-N 3.34Å |
| 271 | N | 92.2 | Very high | 95.3 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 8.9 | 177.6 | -64.8 | -61.9 | 0 | 0 | 0 | 114 | Q267 L268 L269 M273 | Q267-N271 PolarHBondContact NE2-ND2 3.4Å; Q267-N271 PolarHBondContact O-N 3.5Å; Q267-N271 PolarHBondContact O-ND2 3.26Å; L268-N271 CarbonylContact O-C 3.54Å; L268-N271 PolarHBondContact O-N 3.4Å; L269-N271 PolarHBondContact O-N 3.35Å; N271-M273 HydrophobicContact CB-CG 3.83Å; N271-M273 WeakPolarHBondContact O-CG 3.44Å; N271-M273 PolarHBondContact O-N 3.28Å |
| 272 | N | 91.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 32 | -175.7 | -157.4 | 40.8 | 0 | 0 | 0 | 114.7 | K119 D120 L268 L269 T270 | K119-N272 PolarHBondContact O-ND2 2.98Å; K119-N272 PolarHBondContact O-OD1 3.42Å; D120-N272 WeakPolarHBondContact CA-ND2 3.46Å; D120-N272 PolarHBondContact OD1-ND2 3.45Å; L268-N272 PolarHBondContact O-N 2.92Å; L268-N272 VanDerWaalsContact O-N 3.15Å; L269-N272 PolarHBondContact O-N 3.16Å; L269-N272 VanDerWaalsContact O-N 3.07Å; T270-N272 VanDerWaalsContact C-N 3.34Å |
| 273 | M | 94.4 | Very high | 95.1 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 41% | 0.414 | 32% | 0.322 | S | S | . | . | trans | -99 | -4.2 | -175.3 | -66.9 | -66.7 | -69.9 | 0 | 0 | 113.1 | L268 N271 P275 D276 G277 | L268-M273 HydrophobicContact CB-CB 4.15Å; L268-M273 HydrophobicContact CD2-CB 3.84Å; L268-M273 WeakPolarHBondContact O-CB 3.05Å; L268-M273 PolarHBondContact O-N 2.9Å; N271-M273 HydrophobicContact CB-CG 3.83Å; N271-M273 WeakPolarHBondContact O-CG 3.44Å; N271-M273 PolarHBondContact O-N 3.28Å; M273-P275 CarbonylContact O-C 3.5Å; M273-D276 PolarHBondContact O-N 2.89Å; M273-G277 VanDerWaalsContact O-CA 3.23Å; M273-G277 WeakPolarHBondContact O-CA 3.26Å; M273-G277 PolarHBondContact O-N 2.56Å | ||
| 274 | L | 94.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 144.5 | 175.7 | -73.5 | -173 | 0 | 0 | 0 | 112.3 | R265 L268 L269 I278 | R265-L274 HydrophobicContact CB-CD1 4.31Å; L268-L274 HydrophobicContact CB-CD2 3.65Å; L268-L274 HydrophobicContact CB-CG 3.79Å; L268-L274 HydrophobicContact CD1-CD2 3.71Å; L268-L274 HydrophobicContact CG-CD2 4.36Å; L269-L274 HydrophobicContact CB-CD1 3.94Å; L269-L274 HydrophobicContact CB-CG 4.41Å; L269-L274 HydrophobicContact CD1-CD1 4.15Å; L274-I278 HydrophobicContact CD2-CD1 3.58Å; L274-I278 HydrophobicContact CD2-CG1 3.62Å |
| 275 | P | 95.1 | Very high | 95 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 5% | 0.045 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -82.6 | -22.9 | -9.2 | 32.2 | -33.5 | 0 | 0 | 0 | 113.6 | Q168 Y169 M273 G277 I278 N292 | Q168-P275 HydrophobicContact CB-CB 4.26Å; Y169-P275 HydrophobicContact CD2-CG 4.17Å; Y169-P275 HydrophobicContact CE2-CG 3.87Å; M273-P275 CarbonylContact O-C 3.5Å; P275-G277 VanDerWaalsContact C-N 3.29Å; P275-G277 PolarHBondContact O-N 3.39Å; P275-G277 VanDerWaalsContact O-N 3.12Å; P275-I278 VanDerWaalsContact O-CB 3.31Å; P275-I278 WeakPolarHBondContact O-CB 3.1Å; P275-I278 WeakPolarHBondContact O-CG1 3.45Å; P275-I278 PolarHBondContact O-N 2.81Å; P275-N292 WeakPolarHBondContact CB-OD1 3.2Å |
| 276 | D | 94.2 | Very high | 94.8 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -52.4 | -41.2 | -167.4 | -61 | -27.3 | 0 | 0 | 0 | 114.2 | K119 M273 I278 F279 | K119-D276 IonicContact NZ-OD2 3.75Å; K119-D276 PolarHBondContact NZ-OD2 2.82Å; M273-D276 PolarHBondContact O-N 2.89Å; D276-I278 PolarHBondContact O-N 3.26Å; D276-F279 PolarHBondContact O-N 3.12Å |
| 277 | G | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -68.4 | -8.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M273 P275 F279 S280 | M273-G277 VanDerWaalsContact O-CA 3.23Å; M273-G277 WeakPolarHBondContact O-CA 3.26Å; M273-G277 PolarHBondContact O-N 2.56Å; P275-G277 VanDerWaalsContact C-N 3.29Å; P275-G277 PolarHBondContact O-N 3.39Å; P275-G277 VanDerWaalsContact O-N 3.12Å; G277-F279 VanDerWaalsContact C-N 3.3Å; G277-S280 WeakPolarHBondContact CA-OG 3.47Å; G277-S280 PolarHBondContact O-OG 3.08Å |
| 278 | I | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -65.4 | -40.4 | 166.3 | -66.6 | 172.5 | 0 | 0 | 0 | 109.8 | L268 L274 P275 D276 S280 L281 Q288 L291 N292 | L268-I278 HydrophobicContact CD1-CB 4.38Å; L268-I278 HydrophobicContact CD1-CG1 3.51Å; L274-I278 HydrophobicContact CD2-CD1 3.58Å; L274-I278 HydrophobicContact CD2-CG1 3.62Å; P275-I278 VanDerWaalsContact O-CB 3.31Å; P275-I278 WeakPolarHBondContact O-CB 3.1Å; P275-I278 WeakPolarHBondContact O-CG1 3.45Å; P275-I278 PolarHBondContact O-N 2.81Å; D276-I278 PolarHBondContact O-N 3.26Å; I278-S280 VanDerWaalsContact C-N 3.28Å; I278-S280 PolarHBondContact O-N 3.03Å; I278-L281 WeakPolarHBondContact O-CB 3.25Å; I278-L281 WeakPolarHBondContact O-CG 3.48Å; I278-L281 PolarHBondContact O-N 2.88Å; I278-Q288 HydrophobicContact CG2-CB 3.96Å; I278-Q288 HydrophobicContact CG2-CG 4.43Å; I278-Q288 WeakPolarHBondContact CG2-O 3.21Å; I278-L291 HydrophobicContact CD1-CB 4.04Å; I278-L291 HydrophobicContact CG1-CB 4.31Å; I278-L291 HydrophobicContact CG2-CB 3.78Å; I278-L291 HydrophobicContact CG2-CD1 4.17Å; I278-N292 HydrophobicContact CD1-CB 3.88Å; I278-N292 HydrophobicContact CG2-CB 4.34Å |
| 279 | F | 95.4 | Very high | 94.6 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 43% | 0.434 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.9 | -175.7 | -58.7 | -72.9 | 0 | 0 | 0 | 113 | D276 G277 Q288 N292 | D276-F279 PolarHBondContact O-N 3.12Å; G277-F279 VanDerWaalsContact C-N 3.3Å; F279-Q288 HydrophobicContact CD1-CB 4.39Å; F279-Q288 PolarHBondContact O-NE2 3.01Å; F279-N292 HydrophobicContact CZ-CB 4.19Å; F279-N292 WeakPolarHBondContact CZ-ND2 3.28Å |
| 280 | S | 95.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 69.2 Ų | 69.2 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -7.7 | 170.5 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | G277 I278 | G277-S280 WeakPolarHBondContact CA-OG 3.47Å; G277-S280 PolarHBondContact O-OG 3.08Å; I278-S280 VanDerWaalsContact C-N 3.28Å; I278-S280 PolarHBondContact O-N 3.03Å |
| 281 | L | 94.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -71.1 | 132.8 | 175.4 | -61.6 | 175.3 | 0 | 0 | 0 | 110.3 | I264 L268 I278 I283 Q288 L291 | I264-L281 HydrophobicContact CG2-CD1 3.81Å; L268-L281 HydrophobicContact CD1-CD1 4.22Å; I278-L281 WeakPolarHBondContact O-CB 3.25Å; I278-L281 WeakPolarHBondContact O-CG 3.48Å; I278-L281 PolarHBondContact O-N 2.88Å; L281-I283 HydrophobicContact CB-CD1 3.95Å; L281-I283 HydrophobicContact CB-CG1 3.85Å; L281-I283 HydrophobicContact CD1-CD1 3.86Å; L281-I283 PolarHBondContact O-N 3.26Å; L281-Q288 PolarHBondContact O-NE2 2.92Å; L281-L291 HydrophobicContact CD1-CD1 3.68Å |
| 282 | L | 95.4 | Very high | 95 | Very high | 182 Ų | 182 | 61.3 Ų | 61.3 | 95% | 0.953 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -75.7 | 57.9 | 175.4 | -58.6 | 177.8 | 0 | 0 | 0 | 111.7 | ||
| 283 | I | 94.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -129.1 | 157.5 | 179.3 | 64.9 | -178.8 | 0 | 0 | 0 | 109.9 | L281 L287 Q288 L291 | L281-I283 HydrophobicContact CB-CD1 3.95Å; L281-I283 HydrophobicContact CB-CG1 3.85Å; L281-I283 HydrophobicContact CD1-CD1 3.86Å; L281-I283 PolarHBondContact O-N 3.26Å; I283-L287 HydrophobicContact CB-CB 4.5Å; I283-L287 HydrophobicContact CD1-CB 3.89Å; I283-L287 HydrophobicContact CG1-CB 4.25Å; I283-Q288 HydrophobicContact CD1-CG 4.15Å; I283-Q288 HydrophobicContact CG1-CG 3.7Å; I283-L291 HydrophobicContact CD1-CD1 3.56Å |
| 284 | P | 96 | Very high | 94.7 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | trans | -55.6 | 145 | 177.8 | -27.3 | 34.7 | 0 | 0 | 0 | 113.5 | R286 L287 Q288 | P284-R286 PolarHBondContact O-N 2.94Å; P284-R286 VanDerWaalsContact O-N 3.08Å; P284-L287 WeakPolarHBondContact O-CA 3.4Å; P284-L287 WeakPolarHBondContact O-CB 3.49Å; P284-L287 PolarHBondContact O-N 3.27Å; P284-Q288 PolarHBondContact O-N 3.25Å; P284-Q288 VanDerWaalsContact O-N 3.12Å | ||
| 285 | A | 94.8 | Very high | 93 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 50% | 0.504 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53 | -35.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L287 Q288 N289 | A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 PolarHBondContact O-N 3.35Å; A285-Q288 WeakPolarHBondContact O-CB 3.36Å; A285-Q288 PolarHBondContact O-N 2.96Å; A285-N289 WeakPolarHBondContact O-CB 3.45Å; A285-N289 PolarHBondContact O-N 3.25Å |
| 286 | R | 94.1 | Very high | 92.9 | Very high | 219 Ų | 219 | 71.5 Ų | 71.5 | 83% | 0.826 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60 | -38.2 | 175.1 | -171.8 | 177.7 | -179.2 | -177.3 | 1 | 112.7 | P284 Y290 | P284-R286 PolarHBondContact O-N 2.94Å; P284-R286 VanDerWaalsContact O-N 3.08Å; R286-Y290 WeakPolarHBondContact O-CB 3.5Å; R286-Y290 PolarHBondContact O-N 3.07Å |
| 287 | L | 93.9 | Very high | 92.9 | Very high | 74 Ų | 74 | 71.2 Ų | 71.2 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75 | -36.9 | 175.2 | -65.9 | -176.8 | 0 | 0 | 0 | 111.3 | I283 P284 A285 N289 Y290 L291 | I283-L287 HydrophobicContact CB-CB 4.5Å; I283-L287 HydrophobicContact CD1-CB 3.89Å; I283-L287 HydrophobicContact CG1-CB 4.25Å; P284-L287 WeakPolarHBondContact O-CA 3.4Å; P284-L287 WeakPolarHBondContact O-CB 3.49Å; P284-L287 PolarHBondContact O-N 3.27Å; A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 PolarHBondContact O-N 3.35Å; L287-N289 PolarHBondContact O-N 3.27Å; L287-Y290 WeakPolarHBondContact O-CB 3.19Å; L287-Y290 PolarHBondContact O-N 2.92Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 3.26Å |
| 288 | Q | 96.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 74.9 Ų | 74.9 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 172.2 | -62.5 | 179.5 | -22.4 | 0 | 0 | 110.9 | I278 F279 L281 I283 P284 A285 Y290 L291 N292 | I278-Q288 HydrophobicContact CG2-CB 3.96Å; I278-Q288 HydrophobicContact CG2-CG 4.43Å; I278-Q288 WeakPolarHBondContact CG2-O 3.21Å; F279-Q288 HydrophobicContact CD1-CB 4.39Å; F279-Q288 PolarHBondContact O-NE2 3.01Å; L281-Q288 PolarHBondContact O-NE2 2.92Å; I283-Q288 HydrophobicContact CD1-CG 4.15Å; I283-Q288 HydrophobicContact CG1-CG 3.7Å; P284-Q288 PolarHBondContact O-N 3.25Å; P284-Q288 VanDerWaalsContact O-N 3.12Å; A285-Q288 WeakPolarHBondContact O-CB 3.36Å; A285-Q288 PolarHBondContact O-N 2.96Å; Q288-Y290 VanDerWaalsContact C-N 3.35Å; Q288-Y290 PolarHBondContact O-N 3.45Å; Q288-L291 CarbonylContact O-C 3.53Å; Q288-L291 WeakPolarHBondContact O-CB 3.25Å; Q288-L291 PolarHBondContact O-N 2.89Å; Q288-L291 VanDerWaalsContact O-N 3.16Å; Q288-N292 WeakPolarHBondContact O-CB 3.41Å; Q288-N292 PolarHBondContact O-N 2.84Å |
| 289 | N | 94.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 79.4 Ų | 79.4 | 35% | 0.353 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.2 | -72.7 | -3.2 | 0 | 0 | 0 | 111.9 | A285 L287 L291 N292 L293 E294 | A285-N289 WeakPolarHBondContact O-CB 3.45Å; A285-N289 PolarHBondContact O-N 3.25Å; L287-N289 PolarHBondContact O-N 3.27Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 3.13Å; N289-N292 CarbonylContact O-C 3.54Å; N289-N292 PolarHBondContact O-N 3.38Å; N289-L293 PolarHBondContact O-N 3.36Å; N289-L293 VanDerWaalsContact O-N 3.16Å; N289-E294 HydrophobicContact CB-CB 3.83Å; N289-E294 PolarHBondContact O-N 2.99Å |
| 290 | Y | 94.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 78.1 Ų | 78.1 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 174.8 | -179.1 | -98.4 | 0 | 0 | 0 | 112 | R216 L257 R261 R286 L287 Q288 | R216-Y290 PolarHBondContact NH2-O 3.34Å; L257-Y290 HydrophobicContact CD1-CE1 4.16Å; L257-Y290 HydrophobicContact CD2-CE1 4.31Å; L257-Y290 HydrophobicContact CD2-CE2 4.17Å; L257-Y290 HydrophobicContact CG-CE1 3.83Å; R261-Y290 HydrophobicContact CB-CD1 4.26Å; R261-Y290 HydrophobicContact CB-CE1 3.67Å; R261-Y290 HydrophobicContact CG-CE1 4.29Å; R261-Y290 VanDerWaalsContact CZ-O 3.26Å; R261-Y290 PolarHBondContact NE-O 3.43Å; R261-Y290 PolarHBondContact NH1-OH 3.13Å; R261-Y290 VanDerWaalsContact NH2-CG 3.26Å; R261-Y290 PolarHBondContact NH2-O 2.79Å; R286-Y290 WeakPolarHBondContact O-CB 3.5Å; R286-Y290 PolarHBondContact O-N 3.07Å; L287-Y290 WeakPolarHBondContact O-CB 3.19Å; L287-Y290 PolarHBondContact O-N 2.92Å; Q288-Y290 VanDerWaalsContact C-N 3.35Å; Q288-Y290 PolarHBondContact O-N 3.45Å |
| 291 | L | 96.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69 | -38.9 | 175.8 | -68.4 | 174.2 | 0 | 0 | 0 | 112 | R261 I264 R265 I278 L281 I283 L287 Q288 N289 L293 | R261-L291 HydrophobicContact CB-CD2 3.9Å; R261-L291 HydrophobicContact CG-CD2 3.96Å; I264-L291 HydrophobicContact CB-CD2 4.11Å; I264-L291 HydrophobicContact CD1-CD2 4.31Å; I264-L291 HydrophobicContact CG2-CD1 3.82Å; I264-L291 HydrophobicContact CG2-CD2 4.09Å; R265-L291 WeakPolarHBondContact CD-O 3.26Å; R265-L291 HydrophobicContact CG-CD2 4.41Å; R265-L291 PolarHBondContact NH1-O 3.37Å; I278-L291 HydrophobicContact CD1-CB 4.04Å; I278-L291 HydrophobicContact CG1-CB 4.31Å; I278-L291 HydrophobicContact CG2-CB 3.78Å; I278-L291 HydrophobicContact CG2-CD1 4.17Å; L281-L291 HydrophobicContact CD1-CD1 3.68Å; I283-L291 HydrophobicContact CD1-CD1 3.56Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 3.26Å; Q288-L291 CarbonylContact O-C 3.53Å; Q288-L291 WeakPolarHBondContact O-CB 3.25Å; Q288-L291 PolarHBondContact O-N 2.89Å; Q288-L291 VanDerWaalsContact O-N 3.16Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 3.13Å; L291-L293 PolarHBondContact O-N 3.38Å |
| 292 | N | 95.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 80.2 Ų | 80.2 | 5% | 0.053 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 13.9 | -178.2 | -164.8 | 45.8 | 0 | 0 | 0 | 113.2 | Q168 P275 I278 F279 Q288 N289 E294 | Q168-N292 WeakPolarHBondContact CG-O 3.48Å; Q168-N292 PolarHBondContact NE2-ND2 3.47Å; Q168-N292 VanDerWaalsContact NE2-ND2 3.17Å; Q168-N292 PolarHBondContact NE2-O 3.35Å; P275-N292 WeakPolarHBondContact CB-OD1 3.2Å; I278-N292 HydrophobicContact CD1-CB 3.88Å; I278-N292 HydrophobicContact CG2-CB 4.34Å; F279-N292 HydrophobicContact CZ-CB 4.19Å; F279-N292 WeakPolarHBondContact CZ-ND2 3.28Å; Q288-N292 WeakPolarHBondContact O-CB 3.41Å; Q288-N292 PolarHBondContact O-N 2.84Å; N289-N292 CarbonylContact O-C 3.54Å; N289-N292 PolarHBondContact O-N 3.38Å; N292-E294 HydrophobicContact CB-CG 4.35Å; N292-E294 PolarHBondContact O-N 3.11Å; N292-E294 VanDerWaalsContact O-N 3.07Å |
| 293 | L | 93.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 20.8 | 177.4 | -46.9 | 178.9 | 0 | 0 | 0 | 114.1 | K164 L167 Q168 L213 R216 V217 N289 L291 | K164-L293 WeakPolarHBondContact CE-O 3.01Å; L167-L293 HydrophobicContact CB-CD1 3.61Å; Q168-L293 HydrophobicContact CG-CB 4.34Å; Q168-L293 HydrophobicContact CG-CD1 4.38Å; L213-L293 HydrophobicContact CD2-CB 4.39Å; R216-L293 HydrophobicContact CB-CD2 3.87Å; R216-L293 PolarHBondContact NH1-O 3.13Å; R216-L293 VanDerWaalsContact NH2-CA 3.32Å; V217-L293 HydrophobicContact CG2-CD1 3.74Å; V217-L293 HydrophobicContact CG2-CD2 4.08Å; N289-L293 PolarHBondContact O-N 3.36Å; N289-L293 VanDerWaalsContact O-N 3.16Å; L291-L293 PolarHBondContact O-N 3.38Å |
| 294 | E | 87.2 | Confident | 91.4 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | trans | -75.3 | 152.7 | 171.7 | -64 | -57.1 | 139.2 | 0 | 0 | 110.4 | K164 Q168 R216 N289 N292 | K164-E294 WeakPolarHBondContact CE-OE1 3.39Å; K164-E294 IonicContact NZ-OE1 3.99Å; K164-E294 PolarHBondContact NZ-OE1 3.29Å; K164-E294 IonicContact NZ-OE2 2.9Å; K164-E294 PolarHBondContact NZ-OE2 2.68Å; Q168-E294 PolarHBondContact NE2-OE1 2.94Å; R216-E294 PolarHBondContact NH1-O 3.43Å; R216-E294 PolarHBondContact NH2-O 3.18Å; N289-E294 HydrophobicContact CB-CB 3.83Å; N289-E294 PolarHBondContact O-N 2.99Å; N292-E294 HydrophobicContact CB-CG 4.35Å; N292-E294 PolarHBondContact O-N 3.11Å; N292-E294 VanDerWaalsContact O-N 3.07Å | ||
| 295 | I | 58.9 | Low | 90.9 | Very high | 212 Ų | 212 | 72.4 Ų | 72.4 | 100% | 1.087 | 35% | 0.354 | S | S | * | . | trans | -96.7 | 0 | 176.7 | -61.7 | 176.8 | 0 | 0 | 0 | 108.4 |
Retrieved 295 of 295 residues in 89.8 ms
(Link to these results)