| 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 | 42.5 | Very low | 74.2 | Confident | 253 Ų | 253 | 111.2 Ų | 111.2 | 100% | 1.246 | 62% | 0.623 | S | S | * | * | 0 | 26.7 | 0 | -137.8 | 174.9 | -131.7 | 0 | 0 | 113 | |||||
| 2 | A | 52 | Low | 75.8 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 74% | 0.744 | 60% | 0.598 | S | S | * | * | trans | -109.9 | -1.1 | -168 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 3 | S | 55.4 | Low | 77.2 | Confident | 104 Ų | 104 | 99.1 Ų | 99.1 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -23.3 | -168.7 | 177 | 0 | 0 | 0 | 0 | 114.7 | ||
| 4 | K | 57.2 | Low | 78.5 | Confident | 205 Ų | 205 | 98.8 Ų | 98.8 | 89% | 0.891 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -16.2 | -175.4 | -71.3 | -173.5 | 174.9 | -177.1 | 0 | 115.2 | ||
| 5 | G | 73 | Confident | 79.6 | Confident | 24 Ų | 24 | 98.1 Ų | 98.1 | 25% | 0.247 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -22.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L8 Y9 | G5-L8 WeakPolarHBondContact O-CB 3.47Å; G5-L8 PolarHBondContact O-N 3.33Å; G5-Y9 VanDerWaalsContact O-CD1 3.31Å; G5-Y9 WeakPolarHBondContact O-CD1 3.34Å; G5-Y9 VanDerWaalsContact O-CG 3.28Å; G5-Y9 PolarHBondContact O-N 2.77Å |
| 6 | L | 82.5 | Confident | 80.5 | Confident | 114 Ų | 114 | 92.1 Ų | 92.1 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.7 | -46.4 | -177.7 | -171.6 | 68.1 | 0 | 0 | 0 | 114.7 | L8 Y9 L10 | L6-L8 VanDerWaalsContact C-N 3.27Å; L6-L8 PolarHBondContact O-N 3.34Å; L6-Y9 PolarHBondContact O-N 3.36Å; L6-L10 PolarHBondContact O-N 3.02Å |
| 7 | P | 87.6 | Confident | 81.3 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -34.2 | 179.5 | 25.7 | -34.3 | 0 | 0 | 0 | 111.8 | A11 | P7-A11 VanDerWaalsContact O-CB 3.32Å; P7-A11 WeakPolarHBondContact O-CB 3.4Å; P7-A11 PolarHBondContact O-N 3.48Å |
| 8 | L | 90.2 | Very high | 82.1 | Confident | 116 Ų | 116 | 90 Ų | 90 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 176.4 | -163.8 | 84.8 | 0 | 0 | 0 | 111 | G5 L6 L10 A11 T12 | G5-L8 WeakPolarHBondContact O-CB 3.47Å; G5-L8 PolarHBondContact O-N 3.33Å; L6-L8 VanDerWaalsContact C-N 3.27Å; L6-L8 PolarHBondContact O-N 3.34Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 2.59Å; L8-A11 PolarHBondContact O-N 2.85Å; L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 PolarHBondContact O-OG1 3.26Å |
| 9 | Y | 91.3 | Very high | 82.7 | Confident | 91 Ų | 91 | 87.1 Ų | 87.1 | 36% | 0.357 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 179.4 | -64.3 | -5.7 | 0 | 0 | 0 | 111.9 | G5 L6 T12 L13 L150 F151 | G5-Y9 VanDerWaalsContact O-CD1 3.31Å; G5-Y9 WeakPolarHBondContact O-CD1 3.34Å; G5-Y9 VanDerWaalsContact O-CG 3.28Å; G5-Y9 PolarHBondContact O-N 2.77Å; L6-Y9 PolarHBondContact O-N 3.36Å; Y9-T12 PolarHBondContact O-N 3.38Å; Y9-L13 WeakPolarHBondContact O-CB 3.48Å; Y9-L13 PolarHBondContact O-N 2.95Å; Y9-L150 HydrophobicContact CD1-CD1 4.18Å; Y9-L150 HydrophobicContact CD2-CB 4.31Å; Y9-L150 HydrophobicContact CG-CB 4.37Å; Y9-F151 WeakPolarHBondContact O-CZ 3.16Å |
| 10 | L | 91.8 | Very high | 83.2 | Confident | 91 Ų | 91 | 82.7 Ų | 82.7 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.7 | -172 | 66.6 | 0 | 0 | 0 | 111.5 | L6 L8 L13 L14 | L6-L10 PolarHBondContact O-N 3.02Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 2.59Å; L10-L13 HydrophobicContact CD1-CD2 4.37Å; L10-L13 WeakPolarHBondContact O-CB 3.31Å; L10-L13 PolarHBondContact O-N 3.29Å; L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 3.39Å |
| 11 | A | 93.1 | Very high | 83.6 | Confident | 48 Ų | 48 | 82.9 Ų | 82.9 | 40% | 0.397 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P7 L8 L13 L14 T15 | P7-A11 VanDerWaalsContact O-CB 3.32Å; P7-A11 WeakPolarHBondContact O-CB 3.4Å; P7-A11 PolarHBondContact O-N 3.48Å; L8-A11 PolarHBondContact O-N 2.85Å; A11-L13 VanDerWaalsContact C-N 3.3Å; A11-L13 PolarHBondContact O-N 3Å; A11-L14 PolarHBondContact O-N 2.92Å; A11-T15 WeakPolarHBondContact O-CG2 3.4Å; A11-T15 PolarHBondContact O-N 3.49Å; A11-T15 PolarHBondContact O-OG1 3.22Å; A11-T15 VanDerWaalsContact O-OG1 3.06Å |
| 12 | T | 93.2 | Very high | 85.8 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 32% | 0.319 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 177 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | L8 Y9 T15 G16 I147 | L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 PolarHBondContact O-OG1 3.26Å; Y9-T12 PolarHBondContact O-N 3.38Å; T12-T15 WeakPolarHBondContact CA-OG1 3.47Å; T12-T15 PolarHBondContact O-OG1 3.06Å; T12-G16 PolarHBondContact O-N 2.91Å; T12-I147 HydrophobicContact CG2-CD1 3.78Å; T12-I147 HydrophobicContact CG2-CG1 3.91Å; T12-I147 HydrophobicContact CG2-CG2 4.41Å |
| 13 | L | 94.4 | Very high | 87.6 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 7% | 0.068 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61 | -50.8 | 175.2 | 175.9 | 64.6 | 0 | 0 | 0 | 111.7 | Y9 L10 A11 T15 G16 L17 I147 F151 I158 Y162 | Y9-L13 WeakPolarHBondContact O-CB 3.48Å; Y9-L13 PolarHBondContact O-N 2.95Å; L10-L13 HydrophobicContact CD1-CD2 4.37Å; L10-L13 WeakPolarHBondContact O-CB 3.31Å; L10-L13 PolarHBondContact O-N 3.29Å; A11-L13 VanDerWaalsContact C-N 3.3Å; A11-L13 PolarHBondContact O-N 3Å; L13-T15 PolarHBondContact O-N 2.97Å; L13-G16 PolarHBondContact O-N 3.26Å; L13-L17 HydrophobicContact CD1-CD1 4.12Å; L13-L17 HydrophobicContact CD1-CG 4.26Å; L13-L17 HydrophobicContact CG-CD1 4.04Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.32Å; L13-I147 HydrophobicContact CB-CG2 4.36Å; L13-I147 HydrophobicContact CD1-CG2 4.39Å; L13-F151 HydrophobicContact CB-CE2 4.19Å; L13-F151 HydrophobicContact CB-CZ 3.98Å; L13-F151 HydrophobicContact CD2-CE1 4.44Å; L13-F151 HydrophobicContact CD2-CE2 4.42Å; L13-F151 HydrophobicContact CD2-CZ 3.94Å; L13-I158 HydrophobicContact CD1-CD1 4.05Å; L13-I158 HydrophobicContact CD1-CG2 3.59Å; L13-I158 HydrophobicContact CD2-CD1 3.63Å; L13-Y162 HydrophobicContact CD1-CE2 3.69Å; L13-Y162 PolarHBondContact O-OH 3.48Å |
| 14 | L | 95.2 | Very high | 89.2 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | -178.8 | -70.1 | 172.1 | 0 | 0 | 0 | 111.8 | L10 A11 G16 L17 L18 | L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 3.39Å; A11-L14 PolarHBondContact O-N 2.92Å; L14-G16 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 3.46Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 2.96Å |
| 15 | T | 94.4 | Very high | 90.5 | Very high | 89 Ų | 89 | 59 Ų | 59 | 55% | 0.546 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.4 | 54 | 0 | 0 | 0 | 0 | 112.1 | A11 T12 L13 E19 | A11-T15 WeakPolarHBondContact O-CG2 3.4Å; A11-T15 PolarHBondContact O-N 3.49Å; A11-T15 PolarHBondContact O-OG1 3.22Å; A11-T15 VanDerWaalsContact O-OG1 3.06Å; T12-T15 WeakPolarHBondContact CA-OG1 3.47Å; T12-T15 PolarHBondContact O-OG1 3.06Å; L13-T15 PolarHBondContact O-N 2.97Å; T15-E19 PolarHBondContact O-N 3.08Å |
| 16 | G | 94.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T12 L13 L14 L18 E19 C20 Y162 | T12-G16 PolarHBondContact O-N 2.91Å; L13-G16 PolarHBondContact O-N 3.26Å; L14-G16 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 3.46Å; G16-L18 VanDerWaalsContact C-N 3.35Å; G16-E19 WeakPolarHBondContact O-CB 3.43Å; G16-E19 PolarHBondContact O-N 3.37Å; G16-C20 PolarHBondContact O-N 3.49Å; G16-Y162 VanDerWaalsContact C-CE1 3.41Å |
| 17 | L | 94.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 178.1 | -72.8 | 168.7 | 0 | 0 | 0 | 111.3 | L13 L14 E19 C20 I21 L161 Y162 A165 | L13-L17 HydrophobicContact CD1-CD1 4.12Å; L13-L17 HydrophobicContact CD1-CG 4.26Å; L13-L17 HydrophobicContact CG-CD1 4.04Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.32Å; L14-L17 PolarHBondContact O-N 2.92Å; L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 2.93Å; L17-C20 PolarHBondContact O-N 2.91Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.3Å; L17-I21 PolarHBondContact O-N 3.25Å; L17-L161 HydrophobicContact CD1-CD2 3.55Å; L17-L161 HydrophobicContact CD1-CG 4.2Å; L17-L161 HydrophobicContact CD2-CB 4.44Å; L17-L161 HydrophobicContact CD2-CD2 3.99Å; L17-L161 HydrophobicContact CD2-CG 3.77Å; L17-L161 HydrophobicContact CG-CD2 4.39Å; L17-Y162 HydrophobicContact CD2-CD1 3.82Å; L17-Y162 HydrophobicContact CD2-CE1 3.92Å; L17-Y162 HydrophobicContact CD2-CG 4.28Å; L17-Y162 HydrophobicContact CG-CD1 4.47Å; L17-Y162 HydrophobicContact CG-CE1 4.07Å; L17-A165 HydrophobicContact CD2-CB 3.91Å |
| 18 | L | 94.6 | Very high | 91.6 | Very high | 122 Ų | 122 | 55.6 Ų | 55.6 | 64% | 0.639 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 173.6 | -71.5 | 172 | 0 | 0 | 0 | 111.8 | L14 G16 G22 | L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 2.96Å; G16-L18 VanDerWaalsContact C-N 3.35Å; L18-G22 PolarHBondContact O-N 3.42Å |
| 19 | E | 93.9 | Very high | 91.6 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 16% | 0.159 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174 | -175.5 | 179.2 | -111.7 | 0 | 0 | 111.5 | T15 G16 L17 G22 F23 R101 F140 N144 | T15-E19 PolarHBondContact O-N 3.08Å; G16-E19 WeakPolarHBondContact O-CB 3.43Å; G16-E19 PolarHBondContact O-N 3.37Å; L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 2.93Å; E19-G22 PolarHBondContact O-N 2.97Å; E19-F23 HydrophobicContact CG-CD2 4.42Å; E19-F23 WeakPolarHBondContact O-CB 3.49Å; E19-F23 PolarHBondContact O-N 3.4Å; E19-R101 IonicContact OE1-CZ 3.81Å; E19-R101 IonicContact OE1-NH2 2.66Å; E19-R101 PolarHBondContact OE1-NH2 3.2Å; E19-R101 IonicContact OE2-NH2 3.49Å; E19-R101 PolarHBondContact OE2-NH2 2.98Å; E19-F140 HydrophobicContact CG-CG 4.45Å; E19-N144 PolarHBondContact OE2-ND2 3.18Å |
| 20 | C | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -64 | -45.2 | 178 | -77.2 | 0 | 0 | 0 | 0 | 112.7 | G16 L17 G22 A24 Y162 A165 | G16-C20 PolarHBondContact O-N 3.49Å; L17-C20 PolarHBondContact O-N 2.91Å; C20-G22 VanDerWaalsContact C-N 3.35Å; C20-A24 HydrophobicContact CB-CB 4.18Å; C20-A24 WeakPolarHBondContact O-CB 3.47Å; C20-A24 PolarHBondContact O-N 2.8Å; C20-Y162 HydrophobicContact CB-CD1 4.45Å; C20-A165 HydrophobicContact CB-CB 4Å |
| 21 | I | 91.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -64.3 | -40.6 | 177.9 | -66.6 | 167.2 | 0 | 0 | 0 | 111 | L17 A165 S169 | L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.3Å; L17-I21 PolarHBondContact O-N 3.25Å; I21-A165 HydrophobicContact CD1-CB 4.5Å; I21-A165 HydrophobicContact CG1-CB 3.89Å; I21-S169 WeakPolarHBondContact O-CB 3.42Å |
| 22 | G | 89.4 | Confident | 91.4 | Very high | 39 Ų | 39 | 50 Ų | 50 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -79.5 | -33.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L18 E19 C20 | L18-G22 PolarHBondContact O-N 3.42Å; E19-G22 PolarHBondContact O-N 2.97Å; C20-G22 VanDerWaalsContact C-N 3.35Å |
| 23 | F | 89.5 | Confident | 91.2 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -133.7 | -26.8 | -163.1 | -57.3 | -69.9 | 0 | 0 | 0 | 114.8 | E19 Y108 F140 | E19-F23 HydrophobicContact CG-CD2 4.42Å; E19-F23 WeakPolarHBondContact O-CB 3.49Å; E19-F23 PolarHBondContact O-N 3.4Å; F23-Y108 VanDerWaalsContact CA-OH 3.31Å; F23-Y108 WeakPolarHBondContact CA-OH 3.43Å; F23-Y108 HydrophobicContact CB-CE1 4.1Å; F23-Y108 HydrophobicContact CB-CE2 4.23Å; F23-Y108 AromaticContact CD1-CE1 3.58Å; F23-Y108 HydrophobicContact CD1-CE1 3.58Å; F23-Y108 AromaticContact CD1-CZ 3.88Å; F23-Y108 HydrophobicContact CE1-CE1 4.49Å; F23-Y108 HydrophobicContact CG-CE1 4.25Å; F23-Y108 WeakPolarHBondContact O-CE2 3.36Å; F23-Y108 VanDerWaalsContact O-CZ 3.22Å; F23-Y108 PolarHBondContact O-OH 3.42Å; F23-F140 HydrophobicContact CB-CD2 4.22Å; F23-F140 HydrophobicContact CB-CE2 4.27Å |
| 24 | A | 88.1 | Confident | 91 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -79.7 | -42.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C20 G137 F140 F166 | C20-A24 HydrophobicContact CB-CB 4.18Å; C20-A24 WeakPolarHBondContact O-CB 3.47Å; C20-A24 PolarHBondContact O-N 2.8Å; A24-G137 WeakPolarHBondContact CB-O 3.42Å; A24-G137 CarbonylContact O-C 3.42Å; A24-G137 WeakPolarHBondContact O-CA 3.31Å; A24-F140 HydrophobicContact CB-CB 4.03Å; A24-F166 VanDerWaalsContact C-CD2 3.49Å; A24-F166 VanDerWaalsContact C-CE2 3.43Å; A24-F166 HydrophobicContact CB-CD2 3.48Å; A24-F166 VanDerWaalsContact CB-CD2 3.48Å; A24-F166 HydrophobicContact CB-CE2 3.95Å; A24-F166 WeakPolarHBondContact O-CE2 3.18Å |
| 25 | G | 85.9 | Confident | 90.8 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | trans | -110 | 28.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | L27 F28 F166 S169 | G25-L27 PolarHBondContact O-N 3.31Å; G25-F28 WeakPolarHBondContact O-CD2 3.24Å; G25-F28 PolarHBondContact O-N 3.22Å; G25-F166 WeakPolarHBondContact CA-O 3.29Å; G25-S169 WeakPolarHBondContact CA-OG 3.32Å; G25-S169 PolarHBondContact N-OG 3.24Å; G25-S169 VanDerWaalsContact N-OG 3.15Å; G25-S169 PolarHBondContact O-OG 2.82Å; G25-S169 VanDerWaalsContact O-OG 3.07Å | ||
| 26 | V | 88.9 | Confident | 90.6 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 24% | 0.242 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -27 | 179 | 178.7 | 0 | 0 | 0 | 0 | 113.2 | F28 G29 Y108 L133 | V26-F28 VanDerWaalsContact C-N 3.31Å; V26-F28 PolarHBondContact O-N 3.45Å; V26-G29 PolarHBondContact O-N 2.8Å; V26-Y108 VanDerWaalsContact CG2-OH 3.3Å; V26-Y108 WeakPolarHBondContact CG2-OH 3.45Å; V26-L133 HydrophobicContact CB-CD2 4.13Å; V26-L133 HydrophobicContact CG1-CD2 3.86Å |
| 27 | L | 89.8 | Confident | 90.4 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.3 | 175.5 | -170.9 | 65.4 | 0 | 0 | 0 | 113.3 | G25 W30 F74 A77 M130 A134 | G25-L27 PolarHBondContact O-N 3.31Å; L27-W30 WeakPolarHBondContact O-CB 3.26Å; L27-W30 PolarHBondContact O-N 3.43Å; L27-F74 HydrophobicContact CD1-CD2 3.9Å; L27-F74 HydrophobicContact CD1-CE2 4.09Å; L27-F74 HydrophobicContact CG-CD2 4.43Å; L27-F74 HydrophobicContact CG-CE2 4.12Å; L27-A77 HydrophobicContact CD1-CB 3.63Å; L27-A77 HydrophobicContact CD2-CB 4.13Å; L27-M130 HydrophobicContact CD1-CE 4.27Å; L27-A134 HydrophobicContact CD2-CB 4.01Å |
| 28 | F | 87.6 | Confident | 90 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -29.3 | 176.9 | -59.5 | -68.3 | 0 | 0 | 0 | 112.2 | G25 V26 W30 F166 | G25-F28 WeakPolarHBondContact O-CD2 3.24Å; G25-F28 PolarHBondContact O-N 3.22Å; V26-F28 VanDerWaalsContact C-N 3.31Å; V26-F28 PolarHBondContact O-N 3.45Å; F28-W30 PolarHBondContact O-N 3.1Å; F28-F166 HydrophobicContact CD2-CE1 4.46Å; F28-F166 WeakPolarHBondContact CD2-O 3.31Å; F28-F166 AromaticContact CE2-CD1 3.51Å; F28-F166 HydrophobicContact CE2-CD1 3.51Å; F28-F166 HydrophobicContact CE2-CD2 4.5Å; F28-F166 AromaticContact CE2-CE1 3.22Å; F28-F166 HydrophobicContact CE2-CE1 3.22Å; F28-F166 HydrophobicContact CE2-CE2 4.26Å; F28-F166 HydrophobicContact CE2-CG 4.18Å; F28-F166 AromaticContact CE2-CZ 3.63Å; F28-F166 HydrophobicContact CE2-CZ 3.63Å; F28-F166 HydrophobicContact CZ-CD1 4.08Å; F28-F166 AromaticContact CZ-CE1 3.55Å; F28-F166 HydrophobicContact CZ-CE1 3.55Å; F28-F166 HydrophobicContact CZ-CZ 4.14Å |
| 29 | G | 88.4 | Confident | 89.7 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 12.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V26 T31 S32 L33 | V26-G29 PolarHBondContact O-N 2.8Å; G29-T31 PolarHBondContact O-N 3.29Å; G29-T31 VanDerWaalsContact O-N 3.12Å; G29-S32 WeakPolarHBondContact O-CB 3.45Å; G29-S32 PolarHBondContact O-N 3.09Å; G29-L33 PolarHBondContact O-N 3.23Å |
| 30 | W | 90.6 | Very high | 89.3 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 6% | 0.064 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.1 | -37.6 | -174.8 | 173.4 | -112.1 | 0 | 0 | 0 | 114 | L27 F28 S32 L33 L34 F37 F70 I73 F74 M130 | L27-W30 WeakPolarHBondContact O-CB 3.26Å; L27-W30 PolarHBondContact O-N 3.43Å; F28-W30 PolarHBondContact O-N 3.1Å; W30-S32 VanDerWaalsContact C-N 3.27Å; W30-S32 PolarHBondContact O-N 3.35Å; W30-L33 HydrophobicContact CE3-CB 4.49Å; W30-L33 HydrophobicContact CE3-CD2 4.05Å; W30-L33 HydrophobicContact CZ3-CD2 4.08Å; W30-L33 PolarHBondContact O-N 3.5Å; W30-L33 VanDerWaalsContact O-N 3.13Å; W30-L34 HydrophobicContact CD2-CD1 4.48Å; W30-L34 HydrophobicContact CD2-CD2 4.29Å; W30-L34 HydrophobicContact CD2-CG 3.93Å; W30-L34 VanDerWaalsContact CE2-CD2 3.43Å; W30-L34 VanDerWaalsContact CE2-CG 3.43Å; W30-L34 HydrophobicContact CG-CD1 4.34Å; W30-L34 HydrophobicContact CG-CG 4.18Å; W30-L34 HydrophobicContact CH2-CD2 3.97Å; W30-L34 HydrophobicContact CZ2-CD1 4.47Å; W30-L34 HydrophobicContact CZ2-CD2 3.25Å; W30-L34 HydrophobicContact CZ2-CG 3.83Å; W30-L34 WeakPolarHBondContact O-CB 3.47Å; W30-L34 WeakPolarHBondContact O-CG 3.42Å; W30-L34 PolarHBondContact O-N 2.94Å; W30-F37 HydrophobicContact CH2-CE2 4.35Å; W30-F37 HydrophobicContact CZ3-CD2 4.44Å; W30-F37 AromaticContact CZ3-CE2 3.94Å; W30-F37 HydrophobicContact CZ3-CE2 3.94Å; W30-F70 HydrophobicContact CH2-CD1 4.17Å; W30-F70 HydrophobicContact CZ2-CB 4.13Å; W30-F70 HydrophobicContact CZ2-CD1 4.2Å; W30-F70 VanDerWaalsContact CZ2-O 3.29Å; W30-F70 WeakPolarHBondContact CZ2-O 3.47Å; W30-I73 HydrophobicContact CH2-CB 4.18Å; W30-I73 HydrophobicContact CH2-CG2 3.81Å; W30-I73 HydrophobicContact CZ3-CG2 4.33Å; W30-F74 HydrophobicContact CB-CD2 3.88Å; W30-F74 HydrophobicContact CB-CE2 3.96Å; W30-F74 AromaticContact CD1-CD2 3.46Å; W30-F74 VanDerWaalsContact CD1-CD2 3.46Å; W30-F74 AromaticContact CD1-CG 3.87Å; W30-F74 HydrophobicContact CD2-CB 4.33Å; W30-F74 AromaticContact CD2-CD2 3.94Å; W30-F74 HydrophobicContact CD2-CD2 3.94Å; W30-F74 AromaticContact CG-CD2 3.49Å; W30-F74 HydrophobicContact CG-CD2 3.49Å; W30-F74 VanDerWaalsContact CG-CD2 3.49Å; W30-F74 HydrophobicContact CG-CE2 4.05Å; W30-F74 HydrophobicContact CG-CG 4.28Å; W30-F74 HydrophobicContact CZ2-CB 4.07Å; W30-F74 AromaticContact NE1-CD2 3.84Å; W30-F74 AromaticContact NE1-CG 3.85Å; W30-M130 HydrophobicContact CE3-CE 3.72Å; W30-M130 HydrophobicContact CZ3-CE 3.58Å; W30-M130 HydrophobicContact CZ3-CG 4.15Å; W30-M130 HydrophobicContact CZ3-SD 4.12Å |
| 31 | T | 90.3 | Very high | 89 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.8 | -35.6 | 179.1 | 53 | 0 | 0 | 0 | 0 | 112.7 | G29 F35 | G29-T31 PolarHBondContact O-N 3.29Å; G29-T31 VanDerWaalsContact O-N 3.12Å; T31-F35 PolarHBondContact O-N 3.49Å |
| 32 | S | 91.7 | Very high | 88.6 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 58% | 0.58 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.3 | -40.8 | 173.3 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | G29 W30 F35 V36 | G29-S32 WeakPolarHBondContact O-CB 3.45Å; G29-S32 PolarHBondContact O-N 3.09Å; W30-S32 VanDerWaalsContact C-N 3.27Å; W30-S32 PolarHBondContact O-N 3.35Å; S32-F35 WeakPolarHBondContact O-CB 3.16Å; S32-F35 PolarHBondContact O-N 3.21Å; S32-V36 PolarHBondContact O-N 3.32Å |
| 33 | L | 89.3 | Confident | 88.3 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 179 | -161.6 | 73.7 | 0 | 0 | 0 | 112.1 | G29 W30 F35 V36 F37 M130 | G29-L33 PolarHBondContact O-N 3.23Å; W30-L33 HydrophobicContact CE3-CB 4.49Å; W30-L33 HydrophobicContact CE3-CD2 4.05Å; W30-L33 HydrophobicContact CZ3-CD2 4.08Å; W30-L33 PolarHBondContact O-N 3.5Å; W30-L33 VanDerWaalsContact O-N 3.13Å; L33-F35 VanDerWaalsContact C-N 3.28Å; L33-F35 PolarHBondContact O-N 2.83Å; L33-V36 WeakPolarHBondContact O-CB 3.32Å; L33-V36 PolarHBondContact O-N 2.97Å; L33-V36 VanDerWaalsContact O-N 3.12Å; L33-F37 HydrophobicContact CB-CE2 4.46Å; L33-F37 HydrophobicContact CD1-CZ 4.23Å; L33-F37 HydrophobicContact CD2-CD2 4.41Å; L33-F37 HydrophobicContact CD2-CE2 3.4Å; L33-F37 VanDerWaalsContact CD2-CE2 3.4Å; L33-F37 HydrophobicContact CD2-CZ 3.59Å; L33-F37 HydrophobicContact CG-CD2 4.11Å; L33-F37 HydrophobicContact CG-CE1 4.43Å; L33-F37 HydrophobicContact CG-CE2 3.48Å; L33-F37 VanDerWaalsContact CG-CE2 3.48Å; L33-F37 HydrophobicContact CG-CZ 3.66Å; L33-F37 PolarHBondContact O-N 2.9Å; L33-M130 HydrophobicContact CD2-CE 3.78Å; L33-M130 HydrophobicContact CD2-SD 3.85Å |
| 34 | L | 90.4 | Very high | 87.8 | Confident | 35 Ų | 35 | 55 Ų | 55 | 18% | 0.183 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55 | -43.9 | 173.9 | -83.1 | -179.9 | 0 | 0 | 0 | 112.4 | W30 V36 F37 K38 F70 | W30-L34 HydrophobicContact CD2-CD1 4.48Å; W30-L34 HydrophobicContact CD2-CD2 4.29Å; W30-L34 HydrophobicContact CD2-CG 3.93Å; W30-L34 VanDerWaalsContact CE2-CD2 3.43Å; W30-L34 VanDerWaalsContact CE2-CG 3.43Å; W30-L34 HydrophobicContact CG-CD1 4.34Å; W30-L34 HydrophobicContact CG-CG 4.18Å; W30-L34 HydrophobicContact CH2-CD2 3.97Å; W30-L34 HydrophobicContact CZ2-CD1 4.47Å; W30-L34 HydrophobicContact CZ2-CD2 3.25Å; W30-L34 HydrophobicContact CZ2-CG 3.83Å; W30-L34 WeakPolarHBondContact O-CB 3.47Å; W30-L34 WeakPolarHBondContact O-CG 3.42Å; W30-L34 PolarHBondContact O-N 2.94Å; L34-V36 VanDerWaalsContact C-N 3.27Å; L34-V36 PolarHBondContact O-N 2.69Å; L34-F37 PolarHBondContact O-N 3.5Å; L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.29Å; L34-F70 HydrophobicContact CD2-CB 3.64Å; L34-F70 HydrophobicContact CD2-CD1 3.7Å; L34-F70 HydrophobicContact CD2-CD2 4.15Å; L34-F70 HydrophobicContact CD2-CE1 4.39Å; L34-F70 HydrophobicContact CD2-CG 3.57Å |
| 35 | F | 89.8 | Confident | 86.5 | Confident | 155 Ų | 155 | 61.6 Ų | 61.6 | 68% | 0.68 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.5 | -42.8 | 178.4 | 178.9 | -95.7 | 0 | 0 | 0 | 111 | T31 S32 L33 A39 | T31-F35 PolarHBondContact O-N 3.49Å; S32-F35 WeakPolarHBondContact O-CB 3.16Å; S32-F35 PolarHBondContact O-N 3.21Å; L33-F35 VanDerWaalsContact C-N 3.28Å; L33-F35 PolarHBondContact O-N 2.83Å; F35-A39 WeakPolarHBondContact O-CB 3.48Å; F35-A39 PolarHBondContact O-N 3.46Å |
| 36 | V | 91.3 | Very high | 85 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 176.8 | 179 | 0 | 0 | 0 | 0 | 111.3 | S32 L33 L34 K38 A39 E40 | S32-V36 PolarHBondContact O-N 3.32Å; L33-V36 WeakPolarHBondContact O-CB 3.32Å; L33-V36 PolarHBondContact O-N 2.97Å; L33-V36 VanDerWaalsContact O-N 3.12Å; L34-V36 VanDerWaalsContact C-N 3.27Å; L34-V36 PolarHBondContact O-N 2.69Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.01Å; V36-A39 WeakPolarHBondContact O-CB 3.47Å; V36-A39 PolarHBondContact O-N 3.06Å; V36-A39 VanDerWaalsContact O-N 3.12Å; V36-E40 HydrophobicContact CG1-CG 4.49Å; V36-E40 WeakPolarHBondContact O-CG 3.45Å; V36-E40 PolarHBondContact O-N 2.93Å |
| 37 | F | 89.4 | Confident | 83.1 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61 | -39 | 178.9 | -67.7 | -37.8 | 0 | 0 | 0 | 112.8 | W30 L33 L34 E40 N41 Y42 F70 L126 | W30-F37 HydrophobicContact CH2-CE2 4.35Å; W30-F37 HydrophobicContact CZ3-CD2 4.44Å; W30-F37 AromaticContact CZ3-CE2 3.94Å; W30-F37 HydrophobicContact CZ3-CE2 3.94Å; L33-F37 HydrophobicContact CB-CE2 4.46Å; L33-F37 HydrophobicContact CD1-CZ 4.23Å; L33-F37 HydrophobicContact CD2-CD2 4.41Å; L33-F37 HydrophobicContact CD2-CE2 3.4Å; L33-F37 VanDerWaalsContact CD2-CE2 3.4Å; L33-F37 HydrophobicContact CD2-CZ 3.59Å; L33-F37 HydrophobicContact CG-CD2 4.11Å; L33-F37 HydrophobicContact CG-CE1 4.43Å; L33-F37 HydrophobicContact CG-CE2 3.48Å; L33-F37 VanDerWaalsContact CG-CE2 3.48Å; L33-F37 HydrophobicContact CG-CZ 3.66Å; L33-F37 PolarHBondContact O-N 2.9Å; L34-F37 PolarHBondContact O-N 3.5Å; F37-E40 PolarHBondContact O-N 3.01Å; F37-N41 PolarHBondContact O-N 3.36Å; F37-Y42 HydrophobicContact CB-CG 4.3Å; F37-Y42 HydrophobicContact CD1-CD1 4.19Å; F37-Y42 HydrophobicContact CD1-CE1 4.07Å; F37-Y42 HydrophobicContact CD1-CG 4.41Å; F37-Y42 HydrophobicContact CE1-CE1 4.33Å; F37-Y42 WeakPolarHBondContact O-CB 3.47Å; F37-Y42 PolarHBondContact O-N 3.28Å; F37-F70 HydrophobicContact CB-CE1 3.8Å; F37-F70 HydrophobicContact CB-CZ 3.77Å; F37-F70 HydrophobicContact CD2-CE1 4.03Å; F37-F70 HydrophobicContact CG-CE1 4.25Å; F37-L126 HydrophobicContact CD1-CD1 4.23Å; F37-L126 HydrophobicContact CD2-CD1 4.11Å; F37-L126 HydrophobicContact CE1-CD1 4.11Å; F37-L126 HydrophobicContact CE1-CD2 4.07Å; F37-L126 HydrophobicContact CE2-CD1 3.95Å; F37-L126 HydrophobicContact CE2-CD2 4.39Å; F37-L126 HydrophobicContact CG-CD1 4.25Å; F37-L126 HydrophobicContact CZ-CD1 3.96Å; F37-L126 HydrophobicContact CZ-CD2 3.76Å |
| 38 | K | 87.4 | Confident | 80.9 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 174.3 | -73.1 | -177.9 | 175.9 | -168.8 | 0 | 111.9 | L34 V36 E40 N41 D67 F70 | L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.29Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.01Å; K38-E40 VanDerWaalsContact C-N 3.26Å; K38-E40 PolarHBondContact O-N 3.3Å; K38-N41 PolarHBondContact O-N 3.43Å; K38-N41 VanDerWaalsContact O-N 3.08Å; K38-D67 WeakPolarHBondContact CE-OD1 3.42Å; K38-D67 IonicContact NZ-OD1 2.62Å; K38-D67 PolarHBondContact NZ-OD1 2.98Å; K38-D67 IonicContact NZ-OD2 3.66Å; K38-F70 HydrophobicContact CG-CE2 4.01Å |
| 39 | A | 87.2 | Confident | 78.8 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F35 V36 N41 | F35-A39 WeakPolarHBondContact O-CB 3.48Å; F35-A39 PolarHBondContact O-N 3.46Å; V36-A39 WeakPolarHBondContact O-CB 3.47Å; V36-A39 PolarHBondContact O-N 3.06Å; V36-A39 VanDerWaalsContact O-N 3.12Å; A39-N41 PolarHBondContact O-N 3.21Å |
| 40 | E | 86.4 | Confident | 76.7 | Confident | 122 Ų | 122 | 83.5 Ų | 83.5 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 10.2 | 175.7 | -66.8 | -64 | 145.4 | 0 | 0 | 113.6 | V36 F37 K38 Y42 | V36-E40 HydrophobicContact CG1-CG 4.49Å; V36-E40 WeakPolarHBondContact O-CG 3.45Å; V36-E40 PolarHBondContact O-N 2.93Å; F37-E40 PolarHBondContact O-N 3.01Å; K38-E40 VanDerWaalsContact C-N 3.26Å; K38-E40 PolarHBondContact O-N 3.3Å; E40-Y42 VanDerWaalsContact C-N 3.3Å; E40-Y42 HydrophobicContact CB-CD2 3.64Å; E40-Y42 HydrophobicContact CB-CE2 3.65Å; E40-Y42 PolarHBondContact O-N 2.92Å |
| 41 | N | 85.1 | Confident | 74.5 | Confident | 99 Ų | 99 | 86 Ų | 86 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 32.2 | 177.9 | -60.2 | -74.5 | 0 | 0 | 0 | 114.8 | F37 K38 A39 F43 S44 A120 | F37-N41 PolarHBondContact O-N 3.36Å; K38-N41 PolarHBondContact O-N 3.43Å; K38-N41 VanDerWaalsContact O-N 3.08Å; A39-N41 PolarHBondContact O-N 3.21Å; N41-F43 PolarHBondContact O-N 2.85Å; N41-S44 WeakPolarHBondContact CA-OG 3.33Å; N41-S44 WeakPolarHBondContact O-CB 3.35Å; N41-S44 PolarHBondContact O-N 3.42Å; N41-S44 PolarHBondContact O-OG 2.88Å; N41-A120 WeakPolarHBondContact O-CB 3.38Å |
| 42 | Y | 84.8 | Confident | 72.5 | Confident | 16 Ų | 16 | 88 Ų | 88 | 6% | 0.063 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 132.5 | 175.9 | -83.7 | -127.5 | 0 | 0 | 0 | 111.2 | F37 E40 S44 Q66 T118 A123 L126 | F37-Y42 HydrophobicContact CB-CG 4.3Å; F37-Y42 HydrophobicContact CD1-CD1 4.19Å; F37-Y42 HydrophobicContact CD1-CE1 4.07Å; F37-Y42 HydrophobicContact CD1-CG 4.41Å; F37-Y42 HydrophobicContact CE1-CE1 4.33Å; F37-Y42 WeakPolarHBondContact O-CB 3.47Å; F37-Y42 PolarHBondContact O-N 3.28Å; E40-Y42 VanDerWaalsContact C-N 3.3Å; E40-Y42 HydrophobicContact CB-CD2 3.64Å; E40-Y42 HydrophobicContact CB-CE2 3.65Å; E40-Y42 PolarHBondContact O-N 2.92Å; Y42-S44 PolarHBondContact O-N 3.39Å; Y42-S44 VanDerWaalsContact O-N 3.11Å; Y42-Q66 PolarHBondContact O-NE2 3.49Å; Y42-T118 HydrophobicContact CD1-CG2 4.44Å; Y42-T118 HydrophobicContact CE1-CG2 3.44Å; Y42-T118 VanDerWaalsContact CE1-CG2 3.44Å; Y42-T118 PolarHBondContact OH-O 3.36Å; Y42-A123 HydrophobicContact CD1-CB 3.58Å; Y42-A123 HydrophobicContact CE1-CB 4.33Å; Y42-A123 HydrophobicContact CG-CB 4.12Å; Y42-L126 HydrophobicContact CD1-CD1 3.45Å; Y42-L126 VanDerWaalsContact CD1-CD1 3.45Å; Y42-L126 HydrophobicContact CD1-CG 4.22Å; Y42-L126 HydrophobicContact CE1-CD1 3.67Å; Y42-L126 HydrophobicContact CE1-CD2 4.36Å; Y42-L126 HydrophobicContact CE1-CG 4.05Å |
| 43 | F | 83.3 | Confident | 70.5 | Confident | 21 Ų | 21 | 91.2 Ų | 91.2 | 9% | 0.092 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 12.2 | -175.2 | -52.6 | -71.8 | 0 | 0 | 0 | 115.1 | N41 E45 Q66 K69 F70 I73 A123 M124 L126 F127 | N41-F43 PolarHBondContact O-N 2.85Å; F43-E45 PolarHBondContact O-N 3.49Å; F43-Q66 HydrophobicContact CB-CG 4.23Å; F43-K69 HydrophobicContact CB-CD 4.16Å; F43-K69 HydrophobicContact CD1-CD 3.76Å; F43-K69 HydrophobicContact CE1-CD 4.31Å; F43-K69 HydrophobicContact CG-CD 4Å; F43-F70 HydrophobicContact CD2-CD1 4.35Å; F43-F70 AromaticContact CD2-CE1 3.78Å; F43-F70 HydrophobicContact CD2-CE1 3.78Å; F43-F70 HydrophobicContact CD2-CE2 4.21Å; F43-F70 AromaticContact CD2-CZ 3.7Å; F43-F70 HydrophobicContact CD2-CZ 3.7Å; F43-F70 HydrophobicContact CE2-CD1 4.23Å; F43-F70 AromaticContact CE2-CE1 3.8Å; F43-F70 HydrophobicContact CE2-CE1 3.8Å; F43-F70 HydrophobicContact CE2-CZ 4.21Å; F43-I73 HydrophobicContact CE2-CD1 3.76Å; F43-I73 HydrophobicContact CZ-CD1 3.89Å; F43-A123 HydrophobicContact CD1-CB 3.82Å; F43-A123 HydrophobicContact CD2-CB 4.17Å; F43-A123 HydrophobicContact CE1-CB 3.64Å; F43-A123 HydrophobicContact CE2-CB 4.01Å; F43-A123 HydrophobicContact CG-CB 4.08Å; F43-A123 HydrophobicContact CZ-CB 3.75Å; F43-A123 WeakPolarHBondContact CZ-O 3.46Å; F43-M124 HydrophobicContact CE1-CG 4.42Å; F43-M124 HydrophobicContact CE1-SD 3.82Å; F43-L126 HydrophobicContact CE2-CD1 4.3Å; F43-F127 HydrophobicContact CE1-CE2 4.03Å; F43-F127 HydrophobicContact CZ-CD2 4.37Å; F43-F127 AromaticContact CZ-CE2 3.82Å; F43-F127 HydrophobicContact CZ-CE2 3.82Å |
| 44 | S | 77.3 | Confident | 68.3 | Low | 54 Ų | 54 | 97 Ų | 97 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | trans | -69.7 | 111.5 | 166.4 | -59.9 | 0 | 0 | 0 | 0 | 107.4 | N41 Y42 Q66 | N41-S44 WeakPolarHBondContact CA-OG 3.33Å; N41-S44 WeakPolarHBondContact O-CB 3.35Å; N41-S44 PolarHBondContact O-N 3.42Å; N41-S44 PolarHBondContact O-OG 2.88Å; Y42-S44 PolarHBondContact O-N 3.39Å; Y42-S44 VanDerWaalsContact O-N 3.11Å; S44-Q66 PolarHBondContact OG-NE2 3.36Å | ||
| 45 | E | 62.6 | Low | 66 | Low | 145 Ų | 145 | 99.9 Ų | 99.9 | 68% | 0.678 | 53% | 0.534 | S | S | * | . | trans | -68.1 | 129.7 | 169.1 | -68.6 | -169.5 | 170.6 | 0 | 0 | 107.6 | F43 C47 | F43-E45 PolarHBondContact O-N 3.49Å; E45-C47 PolarHBondContact O-N 2.66Å; E45-C47 VanDerWaalsContact O-N 3.07Å | ||
| 46 | P | 52.7 | Low | 63.8 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 71% | 0.714 | 55% | 0.547 | S | S | * | . | trans | -58.9 | 119.2 | 163.5 | -2.5 | 14.5 | 0 | 0 | 0 | 105.3 | E48 | P46-E48 VanDerWaalsContact C-N 3.26Å; P46-E48 PolarHBondContact O-N 2.76Å | ||
| 47 | C | 49.9 | Very low | 61.7 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | trans | -55.5 | 101.3 | 165.9 | 160.7 | 0 | 0 | 0 | 0 | 106.3 | E45 C51 | E45-C47 PolarHBondContact O-N 2.66Å; E45-C47 VanDerWaalsContact O-N 3.07Å; C47-C51 HydrophobicContact CB-CB 4.49Å; C47-C51 WeakPolarHBondContact CB-SG 3.23Å; C47-C51 WeakPolarHBondContact SG-CB 3.14Å; C47-C51 CovalentContact SG-SG 2.05Å; C47-C51 PolarHBondContact SG-SG 3.11Å | ||
| 48 | E | 43.2 | Very low | 59.8 | Low | 155 Ų | 155 | 109.7 Ų | 109.7 | 72% | 0.724 | 60% | 0.602 | S | S | * | * | trans | -61.4 | 147.8 | 170 | -73.5 | -165.7 | 152.9 | 0 | 0 | 107.3 | P46 D50 C51 | P46-E48 VanDerWaalsContact C-N 3.26Å; P46-E48 PolarHBondContact O-N 2.76Å; E48-D50 PolarHBondContact O-N 3.08Å; E48-C51 PolarHBondContact O-N 3Å | ||
| 49 | Q | 44.2 | Very low | 57.9 | Low | 165 Ų | 165 | 107 Ų | 107 | 77% | 0.771 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -47.6 | -8.7 | -168.4 | -134.7 | 92.8 | -23.5 | 0 | 0 | 116.5 | ||
| 50 | D | 43.7 | Very low | 56.4 | Low | 126 Ų | 126 | 109.4 Ų | 109.4 | 67% | 0.674 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -74.5 | -15 | 177 | -73.4 | -26.2 | 0 | 0 | 0 | 114.5 | E48 L52 L53 | E48-D50 PolarHBondContact O-N 3.08Å; D50-L52 PolarHBondContact O-N 2.8Å; D50-L53 PolarHBondContact O-N 2.98Å |
| 51 | C | 45.3 | Very low | 55.1 | Low | 69 Ų | 69 | 107.1 Ų | 107.1 | 47% | 0.466 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -69.2 | -15.2 | 173.8 | -37 | 0 | 0 | 0 | 0 | 113.3 | C47 E48 | C47-C51 HydrophobicContact CB-CB 4.49Å; C47-C51 WeakPolarHBondContact CB-SG 3.23Å; C47-C51 WeakPolarHBondContact SG-CB 3.14Å; C47-C51 CovalentContact SG-SG 2.05Å; C47-C51 PolarHBondContact SG-SG 3.11Å; E48-C51 PolarHBondContact O-N 3Å |
| 52 | L | 48.2 | Very low | 54.1 | Low | 148 Ų | 148 | 107.5 Ų | 107.5 | 78% | 0.775 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -86.5 | -12.2 | -178.2 | -67.8 | -176 | 0 | 0 | 0 | 113.8 | D50 | D50-L52 PolarHBondContact O-N 2.8Š|
| 53 | L | 50 | Low | 53.5 | Low | 152 Ų | 152 | 111.5 Ų | 111.5 | 80% | 0.796 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -10.4 | -176.5 | -64.9 | -175.3 | 0 | 0 | 0 | 114.4 | D50 | D50-L53 PolarHBondContact O-N 2.98Š|
| 54 | Q | 42.9 | Very low | 53.2 | Low | 164 Ų | 164 | 116.8 Ų | 116.8 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -129.7 | 93.9 | 174.1 | -102.4 | 174.8 | -0.5 | 0 | 0 | 111.3 | ||
| 55 | S | 41.8 | Very low | 53.4 | Low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | trans | 63 | 102.9 | 148.3 | -57.6 | 0 | 0 | 0 | 0 | 117.1 | V57 | S55-V57 PolarHBondContact O-N 3.49Š| ||
| 56 | N | 43.1 | Very low | 54.4 | Low | 176 Ų | 176 | 110.3 Ų | 110.3 | 94% | 0.941 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 24 | 34 | 130.5 | -150 | 20.3 | 0 | 0 | 0 | 120.5 | ||
| 57 | V | 47.9 | Very low | 56.1 | Low | 113 Ų | 113 | 108 Ų | 108 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | trans | -146 | 72 | -177.7 | -170.6 | 0 | 0 | 0 | 0 | 106.5 | S55 G59 | S55-V57 PolarHBondContact O-N 3.49Å; V57-G59 PolarHBondContact O-N 3.15Å | ||
| 58 | T | 48.6 | Very low | 58 | Low | 157 Ų | 157 | 109.6 Ų | 109.6 | 96% | 0.963 | 60% | 0.602 | S | S | * | * | trans | -64.4 | 80.4 | 149.8 | 4.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 59 | G | 48.8 | Very low | 60.3 | Low | 17 Ų | 17 | 105.3 Ų | 105.3 | 18% | 0.175 | 58% | 0.581 | C | S | . | * | trans | -86.1 | 156.6 | -162.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V57 S61 | V57-G59 PolarHBondContact O-N 3.15Å; G59-S61 PolarHBondContact O-N 3.15Å | ||
| 60 | P | 55.6 | Low | 62.7 | Low | 113 Ų | 113 | 97.6 Ų | 97.6 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.4 | 3 | 172.8 | 24.3 | -33.6 | 0 | 0 | 0 | 115.4 | K64 | P60-K64 WeakPolarHBondContact O-CB 3.47Å; P60-K64 PolarHBondContact O-N 3.4Å |
| 61 | S | 57.7 | Low | 65.1 | Low | 75 Ų | 75 | 94.9 Ų | 94.9 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.2 | -40.6 | -177.3 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | G59 K64 A65 | G59-S61 PolarHBondContact O-N 3.15Å; S61-K64 WeakPolarHBondContact O-CB 3.04Å; S61-K64 PolarHBondContact O-N 3.01Å; S61-A65 PolarHBondContact O-N 3.21Å |
| 62 | D | 64.2 | Low | 67.4 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.8 | -39.1 | -175.6 | -65 | -11.5 | 0 | 0 | 0 | 111.4 | K64 A65 Q66 | D62-K64 PolarHBondContact O-N 3.48Å; D62-A65 PolarHBondContact O-N 2.91Å; D62-Q66 PolarHBondContact O-N 3.04Å |
| 63 | L | 72.3 | Confident | 69.7 | Low | 99 Ų | 99 | 89.4 Ų | 89.4 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -38.9 | 171.2 | -176.8 | 63.4 | 0 | 0 | 0 | 111.1 | Q66 D67 | L63-Q66 PolarHBondContact O-N 2.92Å; L63-D67 WeakPolarHBondContact O-CB 3.44Å; L63-D67 PolarHBondContact O-N 3.08Å |
| 64 | K | 78.1 | Confident | 71.8 | Confident | 132 Ų | 132 | 85.8 Ų | 85.8 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.1 | -44.4 | 177.4 | -173 | -178.3 | 176 | -171.6 | 0 | 111.7 | P60 S61 D62 Q66 D67 E68 | P60-K64 WeakPolarHBondContact O-CB 3.47Å; P60-K64 PolarHBondContact O-N 3.4Å; S61-K64 WeakPolarHBondContact O-CB 3.04Å; S61-K64 PolarHBondContact O-N 3.01Å; D62-K64 PolarHBondContact O-N 3.48Å; K64-Q66 VanDerWaalsContact C-N 3.34Å; K64-Q66 PolarHBondContact O-N 3.2Å; K64-D67 PolarHBondContact O-N 3.17Å; K64-E68 VanDerWaalsContact CE-OE1 3.31Å; K64-E68 WeakPolarHBondContact CE-OE1 3.4Å; K64-E68 WeakPolarHBondContact O-CB 3.25Å; K64-E68 VanDerWaalsContact O-CG 3.27Å; K64-E68 WeakPolarHBondContact O-CG 3.37Å; K64-E68 PolarHBondContact O-N 3.14Å |
| 65 | A | 80.6 | Confident | 74.4 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 35% | 0.347 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S61 D62 K69 | S61-A65 PolarHBondContact O-N 3.21Å; D62-A65 PolarHBondContact O-N 2.91Å; A65-K69 WeakPolarHBondContact O-CG 3.32Å; A65-K69 PolarHBondContact O-N 3.11Å |
| 66 | Q | 84.7 | Confident | 76.9 | Confident | 21 Ų | 21 | 80.3 Ų | 80.3 | 10% | 0.098 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 173 | -179.8 | -177.6 | 60.7 | 0 | 0 | 111.5 | Y42 F43 S44 D62 L63 K64 E68 K69 F70 | Y42-Q66 PolarHBondContact O-NE2 3.49Å; F43-Q66 HydrophobicContact CB-CG 4.23Å; S44-Q66 PolarHBondContact OG-NE2 3.36Å; D62-Q66 PolarHBondContact O-N 3.04Å; L63-Q66 PolarHBondContact O-N 2.92Å; K64-Q66 VanDerWaalsContact C-N 3.34Å; K64-Q66 PolarHBondContact O-N 3.2Å; Q66-E68 VanDerWaalsContact C-N 3.3Å; Q66-E68 PolarHBondContact O-N 3.29Å; Q66-K69 PolarHBondContact O-N 3.19Å; Q66-F70 HydrophobicContact CG-CD2 3.87Å; Q66-F70 HydrophobicContact CG-CE2 3.55Å; Q66-F70 VanDerWaalsContact O-CD2 3.3Å; Q66-F70 WeakPolarHBondContact O-CD2 3.36Å; Q66-F70 PolarHBondContact O-N 2.95Å; Q66-F70 VanDerWaalsContact O-N 3.12Å |
| 67 | D | 87.7 | Confident | 79.5 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 34% | 0.337 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 178.5 | -78.7 | -17 | 0 | 0 | 0 | 112.6 | K38 L63 K64 F70 S71 | K38-D67 WeakPolarHBondContact CE-OD1 3.42Å; K38-D67 IonicContact NZ-OD1 2.62Å; K38-D67 PolarHBondContact NZ-OD1 2.98Å; K38-D67 IonicContact NZ-OD2 3.66Å; L63-D67 WeakPolarHBondContact O-CB 3.44Å; L63-D67 PolarHBondContact O-N 3.08Å; K64-D67 PolarHBondContact O-N 3.17Å; D67-F70 PolarHBondContact O-N 2.98Å; D67-S71 VanDerWaalsContact O-CB 3.29Å; D67-S71 WeakPolarHBondContact O-CB 3.33Å; D67-S71 PolarHBondContact O-N 3.42Å |
| 68 | E | 90.3 | Very high | 81.7 | Confident | 112 Ų | 112 | 68.1 Ų | 68.1 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 172.9 | -77.3 | 172.9 | -172.3 | 0 | 0 | 111.9 | K64 Q66 F70 S71 L72 | K64-E68 VanDerWaalsContact CE-OE1 3.31Å; K64-E68 WeakPolarHBondContact CE-OE1 3.4Å; K64-E68 WeakPolarHBondContact O-CB 3.25Å; K64-E68 VanDerWaalsContact O-CG 3.27Å; K64-E68 WeakPolarHBondContact O-CG 3.37Å; K64-E68 PolarHBondContact O-N 3.14Å; Q66-E68 VanDerWaalsContact C-N 3.3Å; Q66-E68 PolarHBondContact O-N 3.29Å; E68-F70 PolarHBondContact O-N 2.72Å; E68-S71 PolarHBondContact O-N 3.33Å; E68-L72 WeakPolarHBondContact O-CB 3.31Å; E68-L72 PolarHBondContact O-N 3.19Å |
| 69 | K | 91.7 | Very high | 83.9 | Confident | 65 Ų | 65 | 66 Ų | 66 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 176.5 | -70.7 | 173 | -173.3 | 171.6 | 0 | 111.2 | F43 A65 Q66 L72 I73 F127 | F43-K69 HydrophobicContact CB-CD 4.16Å; F43-K69 HydrophobicContact CD1-CD 3.76Å; F43-K69 HydrophobicContact CE1-CD 4.31Å; F43-K69 HydrophobicContact CG-CD 4Å; A65-K69 WeakPolarHBondContact O-CG 3.32Å; A65-K69 PolarHBondContact O-N 3.11Å; Q66-K69 PolarHBondContact O-N 3.19Å; K69-L72 PolarHBondContact O-N 2.95Å; K69-I73 WeakPolarHBondContact O-CG1 3.46Å; K69-I73 PolarHBondContact O-N 3.45Å; K69-F127 HydrophobicContact CB-CZ 4.23Å |
| 70 | F | 93.1 | Very high | 86.1 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.013 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 177.4 | -78.7 | -52.7 | 0 | 0 | 0 | 112.9 | W30 L34 F37 K38 F43 Q66 D67 E68 L72 I73 F74 L126 | W30-F70 HydrophobicContact CH2-CD1 4.17Å; W30-F70 HydrophobicContact CZ2-CB 4.13Å; W30-F70 HydrophobicContact CZ2-CD1 4.2Å; W30-F70 VanDerWaalsContact CZ2-O 3.29Å; W30-F70 WeakPolarHBondContact CZ2-O 3.47Å; L34-F70 HydrophobicContact CD2-CB 3.64Å; L34-F70 HydrophobicContact CD2-CD1 3.7Å; L34-F70 HydrophobicContact CD2-CD2 4.15Å; L34-F70 HydrophobicContact CD2-CE1 4.39Å; L34-F70 HydrophobicContact CD2-CG 3.57Å; F37-F70 HydrophobicContact CB-CE1 3.8Å; F37-F70 HydrophobicContact CB-CZ 3.77Å; F37-F70 HydrophobicContact CD2-CE1 4.03Å; F37-F70 HydrophobicContact CG-CE1 4.25Å; K38-F70 HydrophobicContact CG-CE2 4.01Å; F43-F70 HydrophobicContact CD2-CD1 4.35Å; F43-F70 AromaticContact CD2-CE1 3.78Å; F43-F70 HydrophobicContact CD2-CE1 3.78Å; F43-F70 HydrophobicContact CD2-CE2 4.21Å; F43-F70 AromaticContact CD2-CZ 3.7Å; F43-F70 HydrophobicContact CD2-CZ 3.7Å; F43-F70 HydrophobicContact CE2-CD1 4.23Å; F43-F70 AromaticContact CE2-CE1 3.8Å; F43-F70 HydrophobicContact CE2-CE1 3.8Å; F43-F70 HydrophobicContact CE2-CZ 4.21Å; Q66-F70 HydrophobicContact CG-CD2 3.87Å; Q66-F70 HydrophobicContact CG-CE2 3.55Å; Q66-F70 VanDerWaalsContact O-CD2 3.3Å; Q66-F70 WeakPolarHBondContact O-CD2 3.36Å; Q66-F70 PolarHBondContact O-N 2.95Å; Q66-F70 VanDerWaalsContact O-N 3.12Å; D67-F70 PolarHBondContact O-N 2.98Å; E68-F70 PolarHBondContact O-N 2.72Å; F70-L72 VanDerWaalsContact C-N 3.25Å; F70-L72 PolarHBondContact O-N 3.45Å; F70-I73 HydrophobicContact CD1-CD1 4.27Å; F70-I73 PolarHBondContact O-N 3.49Å; F70-F74 PolarHBondContact O-N 2.87Å; F70-L126 HydrophobicContact CE1-CD1 4.46Å |
| 71 | S | 94.4 | Very high | 87.8 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | D67 E68 F74 T75 | D67-S71 VanDerWaalsContact O-CB 3.29Å; D67-S71 WeakPolarHBondContact O-CB 3.33Å; D67-S71 PolarHBondContact O-N 3.42Å; E68-S71 PolarHBondContact O-N 3.33Å; S71-F74 PolarHBondContact O-N 3.43Å; S71-T75 WeakPolarHBondContact O-CB 3.23Å; S71-T75 PolarHBondContact O-N 2.99Å; S71-T75 PolarHBondContact O-OG1 3.45Å |
| 72 | L | 94.7 | Very high | 89.4 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.4 | -162.3 | 144.8 | 0 | 0 | 0 | 112 | E68 K69 F70 F74 T75 L76 F127 | E68-L72 WeakPolarHBondContact O-CB 3.31Å; E68-L72 PolarHBondContact O-N 3.19Å; K69-L72 PolarHBondContact O-N 2.95Å; F70-L72 VanDerWaalsContact C-N 3.25Å; F70-L72 PolarHBondContact O-N 3.45Å; L72-F74 PolarHBondContact O-N 3.18Å; L72-T75 PolarHBondContact O-N 3.17Å; L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 PolarHBondContact O-N 3.27Å; L72-F127 HydrophobicContact CB-CE1 4.2Å; L72-F127 HydrophobicContact CD2-CD1 3.89Å; L72-F127 HydrophobicContact CD2-CE1 3.39Å; L72-F127 HydrophobicContact CD2-CZ 4.47Å; L72-F127 HydrophobicContact CG-CE1 4.35Å |
| 73 | I | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 173.8 | -66.8 | 166.6 | 0 | 0 | 0 | 110.4 | W30 F43 K69 F70 T75 L76 A77 L126 F127 M130 | W30-I73 HydrophobicContact CH2-CB 4.18Å; W30-I73 HydrophobicContact CH2-CG2 3.81Å; W30-I73 HydrophobicContact CZ3-CG2 4.33Å; F43-I73 HydrophobicContact CE2-CD1 3.76Å; F43-I73 HydrophobicContact CZ-CD1 3.89Å; K69-I73 WeakPolarHBondContact O-CG1 3.46Å; K69-I73 PolarHBondContact O-N 3.45Å; F70-I73 HydrophobicContact CD1-CD1 4.27Å; F70-I73 PolarHBondContact O-N 3.49Å; I73-T75 VanDerWaalsContact C-N 3.34Å; I73-T75 PolarHBondContact O-N 3.46Å; I73-L76 PolarHBondContact O-N 2.97Å; I73-A77 WeakPolarHBondContact O-CB 3.33Å; I73-A77 PolarHBondContact O-N 3.2Å; I73-L126 HydrophobicContact CD1-CB 3.86Å; I73-F127 HydrophobicContact CB-CE1 4.47Å; I73-F127 HydrophobicContact CD1-CD1 4.46Å; I73-F127 HydrophobicContact CD1-CD2 4.33Å; I73-F127 HydrophobicContact CD1-CE1 4.23Å; I73-F127 HydrophobicContact CD1-CE2 4.13Å; I73-F127 HydrophobicContact CD1-CG 4.49Å; I73-F127 HydrophobicContact CD1-CZ 4.08Å; I73-F127 HydrophobicContact CG1-CD1 3.5Å; I73-F127 VanDerWaalsContact CG1-CD1 3.5Å; I73-F127 HydrophobicContact CG1-CD2 4.2Å; I73-F127 HydrophobicContact CG1-CE1 3.35Å; I73-F127 HydrophobicContact CG1-CE2 4.11Å; I73-F127 HydrophobicContact CG1-CG 3.91Å; I73-F127 HydrophobicContact CG1-CZ 3.7Å; I73-M130 HydrophobicContact CG2-CB 3.55Å; I73-M130 HydrophobicContact CG2-CG 3.54Å |
| 74 | F | 94.8 | Very high | 91.5 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 178.3 | 179 | -103.7 | 0 | 0 | 0 | 112.4 | L27 W30 F70 S71 L72 A77 S78 | L27-F74 HydrophobicContact CD1-CD2 3.9Å; L27-F74 HydrophobicContact CD1-CE2 4.09Å; L27-F74 HydrophobicContact CG-CD2 4.43Å; L27-F74 HydrophobicContact CG-CE2 4.12Å; W30-F74 HydrophobicContact CB-CD2 3.88Å; W30-F74 HydrophobicContact CB-CE2 3.96Å; W30-F74 AromaticContact CD1-CD2 3.46Å; W30-F74 VanDerWaalsContact CD1-CD2 3.46Å; W30-F74 AromaticContact CD1-CG 3.87Å; W30-F74 HydrophobicContact CD2-CB 4.33Å; W30-F74 AromaticContact CD2-CD2 3.94Å; W30-F74 HydrophobicContact CD2-CD2 3.94Å; W30-F74 AromaticContact CG-CD2 3.49Å; W30-F74 HydrophobicContact CG-CD2 3.49Å; W30-F74 VanDerWaalsContact CG-CD2 3.49Å; W30-F74 HydrophobicContact CG-CE2 4.05Å; W30-F74 HydrophobicContact CG-CG 4.28Å; W30-F74 HydrophobicContact CZ2-CB 4.07Å; W30-F74 AromaticContact NE1-CD2 3.84Å; W30-F74 AromaticContact NE1-CG 3.85Å; F70-F74 PolarHBondContact O-N 2.87Å; S71-F74 PolarHBondContact O-N 3.43Å; L72-F74 PolarHBondContact O-N 3.18Å; F74-A77 PolarHBondContact O-N 2.9Å; F74-S78 WeakPolarHBondContact O-CB 3.26Å; F74-S78 PolarHBondContact O-N 3.23Å; F74-S78 PolarHBondContact O-OG 3.1Å |
| 75 | T | 95.7 | Very high | 91.8 | Very high | 83 Ų | 83 | 59 Ų | 59 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 178 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | S71 L72 I73 S78 F79 | S71-T75 WeakPolarHBondContact O-CB 3.23Å; S71-T75 PolarHBondContact O-N 2.99Å; S71-T75 PolarHBondContact O-OG1 3.45Å; L72-T75 PolarHBondContact O-N 3.17Å; I73-T75 VanDerWaalsContact C-N 3.34Å; I73-T75 PolarHBondContact O-N 3.46Å; T75-S78 PolarHBondContact O-N 2.92Å; T75-F79 VanDerWaalsContact O-CB 3.31Å; T75-F79 WeakPolarHBondContact O-CB 3.37Å; T75-F79 PolarHBondContact O-N 3.24Å |
| 76 | L | 96.3 | Very high | 92.2 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.4 | -177.4 | 62.8 | 0 | 0 | 0 | 111.5 | L72 I73 F79 M80 F127 P131 | L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 PolarHBondContact O-N 3.27Å; I73-L76 PolarHBondContact O-N 2.97Å; L76-F79 PolarHBondContact O-N 2.93Å; L76-M80 HydrophobicContact CD1-CG 4.42Å; L76-M80 WeakPolarHBondContact O-CB 3.09Å; L76-M80 WeakPolarHBondContact O-CG 3.44Å; L76-M80 PolarHBondContact O-N 3.48Å; L76-F127 WeakPolarHBondContact CD2-O 3.13Å; L76-P131 HydrophobicContact CB-CG 4.24Å; L76-P131 HydrophobicContact CD2-CG 3.63Å; L76-P131 HydrophobicContact CG-CB 4.32Å; L76-P131 HydrophobicContact CG-CG 3.6Å |
| 77 | A | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L27 I73 F74 F79 M80 N81 M130 P131 A134 | L27-A77 HydrophobicContact CD1-CB 3.63Å; L27-A77 HydrophobicContact CD2-CB 4.13Å; I73-A77 WeakPolarHBondContact O-CB 3.33Å; I73-A77 PolarHBondContact O-N 3.2Å; F74-A77 PolarHBondContact O-N 2.9Å; A77-F79 PolarHBondContact O-N 3.01Å; A77-M80 PolarHBondContact O-N 3.32Å; A77-N81 WeakPolarHBondContact O-CB 3.5Å; A77-N81 PolarHBondContact O-N 2.92Å; A77-M130 HydrophobicContact CB-CB 4.26Å; A77-P131 HydrophobicContact CB-CG 4.41Å; A77-A134 HydrophobicContact CB-CB 4.15Å |
| 78 | S | 94.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 64.1 Ų | 64.1 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | F74 T75 N81 N82 | F74-S78 WeakPolarHBondContact O-CB 3.26Å; F74-S78 PolarHBondContact O-N 3.23Å; F74-S78 PolarHBondContact O-OG 3.1Å; T75-S78 PolarHBondContact O-N 2.92Å; S78-N81 WeakPolarHBondContact O-CB 3.3Å; S78-N82 PolarHBondContact O-N 2.93Å; S78-N82 PolarHBondContact O-ND2 2.91Å |
| 79 | F | 95 | Very high | 92 | Very high | 114 Ų | 114 | 59.9 Ų | 59.9 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 174.6 | 176.2 | -106.1 | 0 | 0 | 0 | 111.1 | T75 L76 A77 N81 N82 F83 | T75-F79 VanDerWaalsContact O-CB 3.31Å; T75-F79 WeakPolarHBondContact O-CB 3.37Å; T75-F79 PolarHBondContact O-N 3.24Å; L76-F79 PolarHBondContact O-N 2.93Å; A77-F79 PolarHBondContact O-N 3.01Å; F79-N81 VanDerWaalsContact C-N 3.33Å; F79-N81 PolarHBondContact O-N 2.91Å; F79-N82 PolarHBondContact O-N 3.29Å; F79-F83 HydrophobicContact CE1-CB 4.17Å; F79-F83 HydrophobicContact CE1-CD2 4.45Å; F79-F83 HydrophobicContact CE1-CG 4.23Å; F79-F83 HydrophobicContact CZ-CB 4.16Å; F79-F83 AromaticContact CZ-CD2 3.97Å; F79-F83 HydrophobicContact CZ-CD2 3.97Å; F79-F83 HydrophobicContact CZ-CG 4.16Å; F79-F83 VanDerWaalsContact O-CB 3.24Å; F79-F83 WeakPolarHBondContact O-CB 3.18Å; F79-F83 PolarHBondContact O-N 2.89Å |
| 80 | M | 94.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 177.6 | -75.2 | -65.1 | 106.4 | 0 | 0 | 112.7 | L76 A77 N82 F83 M84 P131 V135 | L76-M80 HydrophobicContact CD1-CG 4.42Å; L76-M80 WeakPolarHBondContact O-CB 3.09Å; L76-M80 WeakPolarHBondContact O-CG 3.44Å; L76-M80 PolarHBondContact O-N 3.48Å; A77-M80 PolarHBondContact O-N 3.32Å; M80-N82 VanDerWaalsContact C-N 3.27Å; M80-N82 PolarHBondContact O-N 3.01Å; M80-F83 HydrophobicContact CE-CB 4.25Å; M80-F83 HydrophobicContact CE-CD1 3.97Å; M80-F83 HydrophobicContact CE-CG 4.31Å; M80-F83 PolarHBondContact O-N 3.22Å; M80-M84 VanDerWaalsContact O-CB 3.3Å; M80-M84 WeakPolarHBondContact O-CB 3.36Å; M80-M84 WeakPolarHBondContact O-CG 3.23Å; M80-M84 PolarHBondContact O-N 3.29Å; M80-M84 HydrophobicContact SD-CE 3.94Å; M80-M84 HydrophobicContact SD-CG 4.38Å; M80-P131 HydrophobicContact CB-CB 3.96Å; M80-P131 HydrophobicContact CG-CB 3.7Å; M80-V135 HydrophobicContact CB-CG2 4.01Å |
| 81 | N | 91.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.7 | -46 | 174.8 | -163.9 | 65.4 | 0 | 0 | 0 | 111.7 | A77 S78 F79 T85 A134 I138 | A77-N81 WeakPolarHBondContact O-CB 3.5Å; A77-N81 PolarHBondContact O-N 2.92Å; S78-N81 WeakPolarHBondContact O-CB 3.3Å; F79-N81 VanDerWaalsContact C-N 3.33Å; F79-N81 PolarHBondContact O-N 2.91Å; N81-T85 PolarHBondContact O-OG1 3.47Å; N81-A134 HydrophobicContact CB-CB 4.24Å; N81-A134 PolarHBondContact OD1-O 3.22Å; N81-I138 WeakPolarHBondContact OD1-CB 3.22Å |
| 82 | N | 91.2 | Very high | 91.1 | Very high | 115 Ų | 115 | 64.4 Ų | 64.4 | 62% | 0.615 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -80.1 | -46.1 | 179.1 | -69.7 | -74.5 | 0 | 0 | 0 | 112.1 | S78 F79 M80 M84 T85 | S78-N82 PolarHBondContact O-N 2.93Å; S78-N82 PolarHBondContact O-ND2 2.91Å; F79-N82 PolarHBondContact O-N 3.29Å; M80-N82 VanDerWaalsContact C-N 3.27Å; M80-N82 PolarHBondContact O-N 3.01Å; N82-M84 PolarHBondContact O-N 2.98Å; N82-T85 VanDerWaalsContact O-CB 3.28Å; N82-T85 WeakPolarHBondContact O-CB 3.26Å; N82-T85 PolarHBondContact O-N 3.32Å |
| 83 | F | 91.6 | Very high | 90.7 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | -175.6 | -178 | -101.2 | 0 | 0 | 0 | 112.1 | F79 M80 T85 F86 P87 | F79-F83 HydrophobicContact CE1-CB 4.17Å; F79-F83 HydrophobicContact CE1-CD2 4.45Å; F79-F83 HydrophobicContact CE1-CG 4.23Å; F79-F83 HydrophobicContact CZ-CB 4.16Å; F79-F83 AromaticContact CZ-CD2 3.97Å; F79-F83 HydrophobicContact CZ-CD2 3.97Å; F79-F83 HydrophobicContact CZ-CG 4.16Å; F79-F83 VanDerWaalsContact O-CB 3.24Å; F79-F83 WeakPolarHBondContact O-CB 3.18Å; F79-F83 PolarHBondContact O-N 2.89Å; M80-F83 HydrophobicContact CE-CB 4.25Å; M80-F83 HydrophobicContact CE-CD1 3.97Å; M80-F83 HydrophobicContact CE-CG 4.31Å; M80-F83 PolarHBondContact O-N 3.22Å; F83-T85 PolarHBondContact O-N 3.34Å; F83-F86 PolarHBondContact O-N 3.44Å; F83-P87 WeakPolarHBondContact O-CD 3.29Å |
| 84 | M | 88.9 | Confident | 90.5 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 31% | 0.305 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10.2 | -179.5 | -68.2 | -63.5 | -174.3 | 0 | 0 | 113.8 | M80 N82 F86 P87 T88 V135 | M80-M84 VanDerWaalsContact O-CB 3.3Å; M80-M84 WeakPolarHBondContact O-CB 3.36Å; M80-M84 WeakPolarHBondContact O-CG 3.23Å; M80-M84 PolarHBondContact O-N 3.29Å; M80-M84 HydrophobicContact SD-CE 3.94Å; M80-M84 HydrophobicContact SD-CG 4.38Å; N82-M84 PolarHBondContact O-N 2.98Å; M84-F86 VanDerWaalsContact C-N 3.29Å; M84-F86 PolarHBondContact O-N 2.85Å; M84-P87 WeakPolarHBondContact O-CD 3.44Å; M84-P87 WeakPolarHBondContact O-CG 3.37Å; M84-P87 HydrophobicContact SD-CG 3.92Å; M84-T88 VanDerWaalsContact O-CB 3.32Å; M84-T88 WeakPolarHBondContact O-CB 3.18Å; M84-T88 PolarHBondContact O-N 3.41Å; M84-T88 VanDerWaalsContact O-N 3.1Å; M84-T88 PolarHBondContact O-OG1 3.26Å; M84-V135 HydrophobicContact CB-CG1 3.97Å; M84-V135 HydrophobicContact CB-CG2 3.81Å; M84-V135 HydrophobicContact CG-CG1 4.16Å; M84-V135 HydrophobicContact CG-CG2 3.53Å |
| 85 | T | 86.3 | Confident | 90 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 31% | 0.313 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 172.3 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | N81 N82 F83 G89 I142 | N81-T85 PolarHBondContact O-OG1 3.47Å; N82-T85 VanDerWaalsContact O-CB 3.28Å; N82-T85 WeakPolarHBondContact O-CB 3.26Å; N82-T85 PolarHBondContact O-N 3.32Å; F83-T85 PolarHBondContact O-N 3.34Å; T85-G89 PolarHBondContact O-N 3.38Å; T85-I142 HydrophobicContact CG2-CD1 3.92Å |
| 86 | F | 88.9 | Confident | 89.7 | Confident | 177 Ų | 177 | 79.9 Ų | 79.9 | 78% | 0.776 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.2 | -59.7 | 177.7 | 177.7 | -98 | 0 | 0 | 0 | 114 | F83 M84 T88 G89 Y90 | F83-F86 PolarHBondContact O-N 3.44Å; M84-F86 VanDerWaalsContact C-N 3.29Å; M84-F86 PolarHBondContact O-N 2.85Å; F86-T88 PolarHBondContact O-N 3.24Å; F86-G89 PolarHBondContact O-N 3.4Å; F86-Y90 PolarHBondContact O-N 2.96Å |
| 87 | P | 87.6 | Confident | 89.3 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 29% | 0.292 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 179.9 | 25.1 | -33.5 | 0 | 0 | 0 | 111.4 | F83 M84 Y90 I91 | F83-P87 WeakPolarHBondContact O-CD 3.29Å; M84-P87 WeakPolarHBondContact O-CD 3.44Å; M84-P87 WeakPolarHBondContact O-CG 3.37Å; M84-P87 HydrophobicContact SD-CG 3.92Å; P87-Y90 WeakPolarHBondContact O-CB 3.42Å; P87-Y90 PolarHBondContact O-N 3.27Å; P87-I91 WeakPolarHBondContact O-CG1 3.32Å; P87-I91 PolarHBondContact O-N 3.02Å; P87-I91 VanDerWaalsContact O-N 3.09Å |
| 88 | T | 84 | Confident | 89.1 | Confident | 10 Ų | 10 | 83.3 Ų | 83.3 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -78 | -28.6 | 179.7 | -39 | 0 | 0 | 0 | 0 | 113.2 | M84 F86 Y90 I91 F92 L139 | M84-T88 VanDerWaalsContact O-CB 3.32Å; M84-T88 WeakPolarHBondContact O-CB 3.18Å; M84-T88 PolarHBondContact O-N 3.41Å; M84-T88 VanDerWaalsContact O-N 3.1Å; M84-T88 PolarHBondContact O-OG1 3.26Å; F86-T88 PolarHBondContact O-N 3.24Å; T88-Y90 VanDerWaalsContact C-N 3.28Å; T88-Y90 PolarHBondContact O-N 2.89Å; T88-I91 HydrophobicContact CG2-CB 4.46Å; T88-I91 PolarHBondContact O-N 3.35Å; T88-F92 WeakPolarHBondContact O-CB 3.43Å; T88-F92 PolarHBondContact O-N 3.18Å; T88-L139 HydrophobicContact CG2-CD1 3.8Å; T88-L139 HydrophobicContact CG2-CD2 3.08Å; T88-L139 HydrophobicContact CG2-CG 4.03Å |
| 89 | G | 85.9 | Confident | 89 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 24% | 0.237 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.8 | -44.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T85 F86 I91 F92 D93 | T85-G89 PolarHBondContact O-N 3.38Å; F86-G89 PolarHBondContact O-N 3.4Å; G89-I91 PolarHBondContact O-N 3.15Å; G89-F92 WeakPolarHBondContact O-CB 3.26Å; G89-F92 PolarHBondContact O-N 3.28Å; G89-D93 WeakPolarHBondContact O-CB 3.35Å; G89-D93 VanDerWaalsContact O-CG 3.3Å; G89-D93 PolarHBondContact O-N 3.08Å |
| 90 | Y | 87.9 | Confident | 88.8 | Confident | 155 Ų | 155 | 79.1 Ų | 79.1 | 61% | 0.608 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 173.5 | 176.8 | -94.5 | 0 | 0 | 0 | 112.8 | F86 P87 T88 F92 D93 R94 | F86-Y90 PolarHBondContact O-N 2.96Å; P87-Y90 WeakPolarHBondContact O-CB 3.42Å; P87-Y90 PolarHBondContact O-N 3.27Å; T88-Y90 VanDerWaalsContact C-N 3.28Å; T88-Y90 PolarHBondContact O-N 2.89Å; Y90-F92 VanDerWaalsContact C-N 3.29Å; Y90-F92 PolarHBondContact O-N 3.26Å; Y90-D93 PolarHBondContact O-N 3.27Å; Y90-R94 WeakPolarHBondContact O-CB 3.47Å; Y90-R94 PolarHBondContact O-N 3.44Å |
| 91 | I | 88.1 | Confident | 88.7 | Confident | 43 Ų | 43 | 82 Ų | 82 | 22% | 0.221 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.6 | -68.5 | 169.5 | 0 | 0 | 0 | 110.5 | P87 T88 G89 R94 F95 V99 I103 | P87-I91 WeakPolarHBondContact O-CG1 3.32Å; P87-I91 PolarHBondContact O-N 3.02Å; P87-I91 VanDerWaalsContact O-N 3.09Å; T88-I91 HydrophobicContact CG2-CB 4.46Å; T88-I91 PolarHBondContact O-N 3.35Å; G89-I91 PolarHBondContact O-N 3.15Å; I91-R94 PolarHBondContact O-N 3.47Å; I91-F95 HydrophobicContact CB-CD2 4.47Å; I91-F95 HydrophobicContact CG2-CB 4.44Å; I91-F95 HydrophobicContact CG2-CD2 4.07Å; I91-F95 WeakPolarHBondContact O-CA 2.88Å; I91-F95 WeakPolarHBondContact O-CB 3.46Å; I91-F95 PolarHBondContact O-N 2.83Å; I91-V99 HydrophobicContact CG2-CG1 4.26Å; I91-I103 HydrophobicContact CD1-CD1 4.15Å; I91-I103 HydrophobicContact CG2-CD1 3.88Å |
| 92 | F | 84.8 | Confident | 88.9 | Confident | 34 Ų | 34 | 86.5 Ų | 86.5 | 15% | 0.149 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | -179.5 | 179.8 | -97.9 | 0 | 0 | 0 | 112 | T88 G89 Y90 K96 T97 A100 I142 T143 Q146 | T88-F92 WeakPolarHBondContact O-CB 3.43Å; T88-F92 PolarHBondContact O-N 3.18Å; G89-F92 WeakPolarHBondContact O-CB 3.26Å; G89-F92 PolarHBondContact O-N 3.28Å; Y90-F92 VanDerWaalsContact C-N 3.29Å; Y90-F92 PolarHBondContact O-N 3.26Å; F92-K96 WeakPolarHBondContact O-CA 3.31Å; F92-K96 PolarHBondContact O-N 3.04Å; F92-T97 HydrophobicContact CE2-CG2 4.23Å; F92-A100 HydrophobicContact CB-CB 4.38Å; F92-A100 HydrophobicContact CD2-CB 3.89Å; F92-I142 HydrophobicContact CD2-CG2 4.39Å; F92-I142 HydrophobicContact CE1-CG2 4.49Å; F92-I142 HydrophobicContact CE2-CG2 4.09Å; F92-I142 HydrophobicContact CZ-CG2 4.02Å; F92-T143 HydrophobicContact CD2-CG2 4.14Å; F92-T143 HydrophobicContact CE2-CG2 3.85Å; F92-Q146 HydrophobicContact CE1-CG 4.39Å; F92-Q146 VanDerWaalsContact CE1-NE2 3.34Å; F92-Q146 HydrophobicContact CE2-CG 4.12Å; F92-Q146 VanDerWaalsContact CZ-CD 3.46Å; F92-Q146 HydrophobicContact CZ-CG 3.49Å; F92-Q146 VanDerWaalsContact CZ-CG 3.49Å |
| 93 | D | 86.8 | Confident | 89 | Confident | 132 Ų | 132 | 83.2 Ų | 83.2 | 71% | 0.706 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.7 | -37.7 | 177.7 | -72 | -16.1 | 0 | 0 | 0 | 111.8 | G89 Y90 | G89-D93 WeakPolarHBondContact O-CB 3.35Å; G89-D93 VanDerWaalsContact O-CG 3.3Å; G89-D93 PolarHBondContact O-N 3.08Å; Y90-D93 PolarHBondContact O-N 3.27Å |
| 94 | R | 90.3 | Very high | 89.1 | Confident | 181 Ų | 181 | 77.8 Ų | 77.8 | 68% | 0.683 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -86 | -45.1 | -175.5 | -173 | 61.3 | 176.6 | -177.1 | 1.3 | 114 | Y90 I91 | Y90-R94 WeakPolarHBondContact O-CB 3.47Å; Y90-R94 PolarHBondContact O-N 3.44Å; I91-R94 PolarHBondContact O-N 3.47Å |
| 95 | F | 85.2 | Confident | 89.5 | Confident | 116 Ų | 116 | 78.2 Ų | 78.2 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -106 | 3.7 | -171.4 | -60 | -79.2 | 0 | 0 | 0 | 113.3 | I91 V99 | I91-F95 HydrophobicContact CB-CD2 4.47Å; I91-F95 HydrophobicContact CG2-CB 4.44Å; I91-F95 HydrophobicContact CG2-CD2 4.07Å; I91-F95 WeakPolarHBondContact O-CA 2.88Å; I91-F95 WeakPolarHBondContact O-CB 3.46Å; I91-F95 PolarHBondContact O-N 2.83Å; F95-V99 HydrophobicContact CB-CB 3.8Å; F95-V99 HydrophobicContact CB-CG1 4Å; F95-V99 HydrophobicContact CB-CG2 3.93Å |
| 96 | K | 89 | Confident | 90 | Very high | 157 Ų | 157 | 81.7 Ų | 81.7 | 68% | 0.683 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | 65.6 | 179.4 | 179.5 | -48.4 | -178.3 | 179.9 | 179.6 | 0 | 112.8 | F92 T98 | F92-K96 WeakPolarHBondContact O-CA 3.31Å; F92-K96 PolarHBondContact O-N 3.04Å; K96-T98 PolarHBondContact O-N 3.44Å |
| 97 | T | 88.8 | Confident | 90.3 | Very high | 33 Ų | 33 | 76.3 Ų | 76.3 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.1 | -37.9 | -172.8 | -33.9 | 0 | 0 | 0 | 0 | 113.9 | F92 V99 A100 R101 T143 Q146 | F92-T97 HydrophobicContact CE2-CG2 4.23Å; T97-V99 PolarHBondContact O-N 2.99Å; T97-A100 PolarHBondContact O-N 3.3Å; T97-R101 WeakPolarHBondContact O-CG 3.41Å; T97-R101 PolarHBondContact O-N 3.32Å; T97-T143 HydrophobicContact CG2-CG2 4Å; T97-Q146 VanDerWaalsContact CG2-OE1 3.32Å; T97-Q146 PolarHBondContact OG1-NE2 3.23Å; T97-Q146 PolarHBondContact OG1-OE1 3.49Å |
| 98 | T | 89.9 | Confident | 90.7 | Very high | 101 Ų | 101 | 75.2 Ų | 75.2 | 62% | 0.62 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | -173.7 | -51.5 | 0 | 0 | 0 | 0 | 112 | K96 R101 L102 | K96-T98 PolarHBondContact O-N 3.44Å; T98-R101 PolarHBondContact O-N 2.86Å; T98-L102 WeakPolarHBondContact O-CG 3.12Å; T98-L102 PolarHBondContact O-N 3.42Å |
| 99 | V | 92.1 | Very high | 91.3 | Very high | 57 Ų | 57 | 77.8 Ų | 77.8 | 35% | 0.345 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 179.9 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | I91 F95 T97 R101 L102 I103 | I91-V99 HydrophobicContact CG2-CG1 4.26Å; F95-V99 HydrophobicContact CB-CB 3.8Å; F95-V99 HydrophobicContact CB-CG1 4Å; F95-V99 HydrophobicContact CB-CG2 3.93Å; T97-V99 PolarHBondContact O-N 2.99Å; V99-R101 VanDerWaalsContact C-N 3.3Å; V99-R101 PolarHBondContact O-N 3.16Å; V99-L102 PolarHBondContact O-N 2.87Å; V99-I103 HydrophobicContact CG1-CD1 4.03Å; V99-I103 WeakPolarHBondContact O-CG1 3.34Å; V99-I103 PolarHBondContact O-N 2.9Å; V99-I103 VanDerWaalsContact O-N 3.08Å |
| 100 | A | 91.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F92 T97 I103 A104 T143 | F92-A100 HydrophobicContact CB-CB 4.38Å; F92-A100 HydrophobicContact CD2-CB 3.89Å; T97-A100 PolarHBondContact O-N 3.3Å; A100-I103 PolarHBondContact O-N 3.39Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.81Å; A100-T143 HydrophobicContact CB-CG2 3.96Å |
| 101 | R | 92.7 | Very high | 92.3 | Very high | 96 Ų | 96 | 71 Ų | 71 | 36% | 0.362 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 175.9 | -75.5 | -165.1 | 78.8 | -156.5 | 3.3 | 113.2 | E19 T97 T98 V99 I103 A104 I105 T143 | E19-R101 IonicContact OE1-CZ 3.81Å; E19-R101 IonicContact OE1-NH2 2.66Å; E19-R101 PolarHBondContact OE1-NH2 3.2Å; E19-R101 IonicContact OE2-NH2 3.49Å; E19-R101 PolarHBondContact OE2-NH2 2.98Å; T97-R101 WeakPolarHBondContact O-CG 3.41Å; T97-R101 PolarHBondContact O-N 3.32Å; T98-R101 PolarHBondContact O-N 2.86Å; V99-R101 VanDerWaalsContact C-N 3.3Å; V99-R101 PolarHBondContact O-N 3.16Å; R101-I103 VanDerWaalsContact C-N 3.31Å; R101-I103 PolarHBondContact O-N 3.14Å; R101-A104 WeakPolarHBondContact O-CB 3.41Å; R101-A104 PolarHBondContact O-N 2.96Å; R101-I105 WeakPolarHBondContact O-CD1 3.44Å; R101-I105 VanDerWaalsContact O-CG1 3.23Å; R101-I105 WeakPolarHBondContact O-CG1 3.28Å; R101-I105 PolarHBondContact O-N 3.11Å; R101-T143 HydrophobicContact CG-CG2 3.67Å |
| 102 | L | 94.9 | Very high | 92.6 | Very high | 113 Ų | 113 | 71.6 Ų | 71.6 | 59% | 0.592 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.4 | -39.7 | 176.4 | -70.8 | 174.8 | 0 | 0 | 0 | 111.7 | T98 V99 I105 F106 | T98-L102 WeakPolarHBondContact O-CG 3.12Å; T98-L102 PolarHBondContact O-N 3.42Å; V99-L102 PolarHBondContact O-N 2.87Å; L102-I105 PolarHBondContact O-N 3.07Å; L102-F106 WeakPolarHBondContact O-CB 3.5Å; L102-F106 PolarHBondContact O-N 3.43Å |
| 103 | I | 93.8 | Very high | 93.2 | Very high | 46 Ų | 46 | 74.1 Ų | 74.1 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 174 | -68.2 | 163.1 | 0 | 0 | 0 | 110.6 | I91 V99 A100 R101 I105 F106 F107 L139 | I91-I103 HydrophobicContact CD1-CD1 4.15Å; I91-I103 HydrophobicContact CG2-CD1 3.88Å; V99-I103 HydrophobicContact CG1-CD1 4.03Å; V99-I103 WeakPolarHBondContact O-CG1 3.34Å; V99-I103 PolarHBondContact O-N 2.9Å; V99-I103 VanDerWaalsContact O-N 3.08Å; A100-I103 PolarHBondContact O-N 3.39Å; R101-I103 VanDerWaalsContact C-N 3.31Å; R101-I103 PolarHBondContact O-N 3.14Å; I103-I105 PolarHBondContact O-N 3.24Å; I103-F106 PolarHBondContact O-N 3.41Å; I103-F107 HydrophobicContact CG2-CD2 3.61Å; I103-F107 HydrophobicContact CG2-CE2 3.61Å; I103-F107 WeakPolarHBondContact O-CD2 3.26Å; I103-F107 PolarHBondContact O-N 3Å; I103-L139 HydrophobicContact CG2-CD1 4.16Å |
| 104 | A | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.9 | -50.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A100 R101 F106 F107 Y108 L139 F140 | A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.81Å; R101-A104 WeakPolarHBondContact O-CB 3.41Å; R101-A104 PolarHBondContact O-N 2.96Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 2.89Å; A104-F107 PolarHBondContact O-N 3.32Å; A104-Y108 VanDerWaalsContact O-CB 3.23Å; A104-Y108 WeakPolarHBondContact O-CB 3.16Å; A104-Y108 PolarHBondContact O-N 3.14Å; A104-L139 HydrophobicContact CB-CB 3.51Å; A104-L139 HydrophobicContact CB-CD1 4.2Å; A104-F140 HydrophobicContact CB-CD1 4Å; A104-F140 HydrophobicContact CB-CE1 3.85Å; A104-F140 HydrophobicContact CB-CZ 4.3Å |
| 105 | I | 95.7 | Very high | 93.8 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 179.1 | -66.7 | 162.7 | 0 | 0 | 0 | 110.7 | R101 L102 I103 T109 F140 | R101-I105 WeakPolarHBondContact O-CD1 3.44Å; R101-I105 VanDerWaalsContact O-CG1 3.23Å; R101-I105 WeakPolarHBondContact O-CG1 3.28Å; R101-I105 PolarHBondContact O-N 3.11Å; L102-I105 PolarHBondContact O-N 3.07Å; I103-I105 PolarHBondContact O-N 3.24Å; I105-T109 WeakPolarHBondContact O-CB 3.24Å; I105-T109 PolarHBondContact O-N 3.31Å; I105-T109 PolarHBondContact O-OG1 3.42Å; I105-F140 HydrophobicContact CG1-CE1 3.8Å; I105-F140 HydrophobicContact CG1-CZ 3.9Å |
| 106 | F | 96.5 | Very high | 94.2 | Very high | 124 Ų | 124 | 61 Ų | 61 | 54% | 0.544 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -54.8 | 177.8 | 172.9 | -100.2 | 0 | 0 | 0 | 111.5 | L102 I103 A104 Y108 T109 C110 | L102-F106 WeakPolarHBondContact O-CB 3.5Å; L102-F106 PolarHBondContact O-N 3.43Å; I103-F106 PolarHBondContact O-N 3.41Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 2.89Å; F106-Y108 VanDerWaalsContact C-N 3.35Å; F106-Y108 PolarHBondContact O-N 3.29Å; F106-T109 PolarHBondContact O-N 3.4Å; F106-C110 WeakPolarHBondContact O-CB 3.4Å; F106-C110 PolarHBondContact O-N 3.39Å; F106-C110 PolarHBondContact O-SG 2.94Å |
| 107 | F | 95.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 29% | 0.285 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 179.6 | -83.1 | -67.4 | 0 | 0 | 0 | 112.2 | I103 A104 A111 M132 V135 | I103-F107 HydrophobicContact CG2-CD2 3.61Å; I103-F107 HydrophobicContact CG2-CE2 3.61Å; I103-F107 WeakPolarHBondContact O-CD2 3.26Å; I103-F107 PolarHBondContact O-N 3Å; A104-F107 PolarHBondContact O-N 3.32Å; F107-A111 VanDerWaalsContact O-CB 3.26Å; F107-A111 WeakPolarHBondContact O-CB 3.33Å; F107-A111 PolarHBondContact O-N 2.86Å; F107-M132 HydrophobicContact CD1-CB 4.21Å; F107-M132 HydrophobicContact CD1-CE 3.84Å; F107-M132 HydrophobicContact CD1-CG 4.03Å; F107-M132 HydrophobicContact CE1-CE 4.37Å; F107-M132 HydrophobicContact CE1-CG 4.45Å; F107-V135 HydrophobicContact CD2-CG1 4.24Å; F107-V135 HydrophobicContact CG-CG1 4.44Å |
| 108 | Y | 96.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | -179.2 | -159.4 | -86.4 | 0 | 0 | 0 | 111.9 | F23 V26 A104 F106 A111 T112 L133 F140 | F23-Y108 VanDerWaalsContact CA-OH 3.31Å; F23-Y108 WeakPolarHBondContact CA-OH 3.43Å; F23-Y108 HydrophobicContact CB-CE1 4.1Å; F23-Y108 HydrophobicContact CB-CE2 4.23Å; F23-Y108 AromaticContact CD1-CE1 3.58Å; F23-Y108 HydrophobicContact CD1-CE1 3.58Å; F23-Y108 AromaticContact CD1-CZ 3.88Å; F23-Y108 HydrophobicContact CE1-CE1 4.49Å; F23-Y108 HydrophobicContact CG-CE1 4.25Å; F23-Y108 WeakPolarHBondContact O-CE2 3.36Å; F23-Y108 VanDerWaalsContact O-CZ 3.22Å; F23-Y108 PolarHBondContact O-OH 3.42Å; V26-Y108 VanDerWaalsContact CG2-OH 3.3Å; V26-Y108 WeakPolarHBondContact CG2-OH 3.45Å; A104-Y108 VanDerWaalsContact O-CB 3.23Å; A104-Y108 WeakPolarHBondContact O-CB 3.16Å; A104-Y108 PolarHBondContact O-N 3.14Å; F106-Y108 VanDerWaalsContact C-N 3.35Å; F106-Y108 PolarHBondContact O-N 3.29Å; Y108-A111 PolarHBondContact O-N 2.62Å; Y108-T112 HydrophobicContact CD1-CG2 3.88Å; Y108-T112 HydrophobicContact CE1-CG2 3.57Å; Y108-T112 WeakPolarHBondContact O-CG2 3.49Å; Y108-T112 PolarHBondContact O-N 3.15Å; Y108-T112 PolarHBondContact O-OG1 3.29Å; Y108-L133 HydrophobicContact CD1-CD1 4.42Å; Y108-L133 HydrophobicContact CD2-CD1 3.89Å; Y108-L133 HydrophobicContact CE1-CD1 4.12Å; Y108-L133 HydrophobicContact CE2-CD1 3.53Å; Y108-L133 HydrophobicContact CE2-CG 4.04Å; Y108-L133 HydrophobicContact CG-CD1 4.31Å; Y108-F140 HydrophobicContact CD1-CE2 4.32Å; Y108-F140 HydrophobicContact CD2-CD2 4.29Å; Y108-F140 AromaticContact CD2-CE2 3.84Å; Y108-F140 HydrophobicContact CD2-CE2 3.84Å; Y108-F140 AromaticContact CG-CE2 3.73Å; Y108-F140 HydrophobicContact CG-CE2 3.73Å |
| 109 | T | 96.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | -179.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | I105 F106 A111 T112 I113 | I105-T109 WeakPolarHBondContact O-CB 3.24Å; I105-T109 PolarHBondContact O-N 3.31Å; I105-T109 PolarHBondContact O-OG1 3.42Å; F106-T109 PolarHBondContact O-N 3.4Å; T109-A111 VanDerWaalsContact C-N 3.33Å; T109-A111 PolarHBondContact O-N 3.07Å; T109-T112 PolarHBondContact O-N 3.05Å; T109-T112 PolarHBondContact O-OG1 3.18Å; T109-T112 VanDerWaalsContact O-OG1 3.1Å; T109-I113 HydrophobicContact CG2-CD1 3.77Å; T109-I113 HydrophobicContact CG2-CG1 4.41Å; T109-I113 WeakPolarHBondContact O-CB 3.45Å; T109-I113 WeakPolarHBondContact O-CD1 3.3Å; T109-I113 WeakPolarHBondContact O-CG1 3.36Å; T109-I113 PolarHBondContact O-N 3.23Å |
| 110 | C | 97.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 25% | 0.25 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.4 | -73 | 0 | 0 | 0 | 0 | 111.3 | F106 I113 I114 M132 | F106-C110 WeakPolarHBondContact O-CB 3.4Å; F106-C110 PolarHBondContact O-N 3.39Å; F106-C110 PolarHBondContact O-SG 2.94Å; C110-I113 PolarHBondContact O-N 3Å; C110-I114 WeakPolarHBondContact O-CD1 3.06Å; C110-I114 WeakPolarHBondContact O-CG1 2.87Å; C110-I114 PolarHBondContact O-N 3.42Å; C110-M132 HydrophobicContact CB-CE 3.52Å |
| 111 | A | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F107 Y108 T109 I113 I114 I115 A129 M132 L133 | F107-A111 VanDerWaalsContact O-CB 3.26Å; F107-A111 WeakPolarHBondContact O-CB 3.33Å; F107-A111 PolarHBondContact O-N 2.86Å; Y108-A111 PolarHBondContact O-N 2.62Å; T109-A111 VanDerWaalsContact C-N 3.33Å; T109-A111 PolarHBondContact O-N 3.07Å; A111-I113 PolarHBondContact O-N 3.02Å; A111-I114 PolarHBondContact O-N 3.3Å; A111-I115 WeakPolarHBondContact O-CG1 3.33Å; A111-I115 PolarHBondContact O-N 2.94Å; A111-A129 WeakPolarHBondContact CB-O 3.24Å; A111-M132 HydrophobicContact CB-CB 3.9Å; A111-L133 HydrophobicContact CB-CB 3.75Å; A111-L133 HydrophobicContact CB-CD1 3.85Å; A111-L133 HydrophobicContact CB-CG 4.44Å |
| 112 | T | 95.1 | Very high | 93.9 | Very high | 55 Ų | 55 | 63 Ų | 63 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 179.1 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | Y108 T109 I115 A116 L133 | Y108-T112 HydrophobicContact CD1-CG2 3.88Å; Y108-T112 HydrophobicContact CE1-CG2 3.57Å; Y108-T112 WeakPolarHBondContact O-CG2 3.49Å; Y108-T112 PolarHBondContact O-N 3.15Å; Y108-T112 PolarHBondContact O-OG1 3.29Å; T109-T112 PolarHBondContact O-N 3.05Å; T109-T112 PolarHBondContact O-OG1 3.18Å; T109-T112 VanDerWaalsContact O-OG1 3.1Å; T112-I115 PolarHBondContact O-N 3.4Å; T112-A116 VanDerWaalsContact O-CB 3.23Å; T112-A116 WeakPolarHBondContact O-CB 3.28Å; T112-A116 PolarHBondContact O-N 2.93Å; T112-L133 HydrophobicContact CG2-CD1 3.76Å |
| 113 | I | 96.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 172 | -71.2 | 169.2 | 0 | 0 | 0 | 110.3 | T109 C110 A111 I115 A116 F117 | T109-I113 HydrophobicContact CG2-CD1 3.77Å; T109-I113 HydrophobicContact CG2-CG1 4.41Å; T109-I113 WeakPolarHBondContact O-CB 3.45Å; T109-I113 WeakPolarHBondContact O-CD1 3.3Å; T109-I113 WeakPolarHBondContact O-CG1 3.36Å; T109-I113 PolarHBondContact O-N 3.23Å; C110-I113 PolarHBondContact O-N 3Å; A111-I113 PolarHBondContact O-N 3.02Å; I113-I115 PolarHBondContact O-N 2.91Å; I113-A116 PolarHBondContact O-N 3.14Å; I113-F117 HydrophobicContact CG2-CD2 3.93Å; I113-F117 HydrophobicContact CG2-CE2 4.06Å; I113-F117 VanDerWaalsContact O-CD2 3.26Å; I113-F117 WeakPolarHBondContact O-CD2 3.44Å; I113-F117 PolarHBondContact O-N 3.04Å; I113-F117 VanDerWaalsContact O-N 3.17Å |
| 114 | I | 95.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 61.6 Ų | 61.6 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 178.1 | -68 | 163 | 0 | 0 | 0 | 110 | C110 A111 A116 F117 T118 L125 L128 A129 M132 | C110-I114 WeakPolarHBondContact O-CD1 3.06Å; C110-I114 WeakPolarHBondContact O-CG1 2.87Å; C110-I114 PolarHBondContact O-N 3.42Å; A111-I114 PolarHBondContact O-N 3.3Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.44Å; I114-F117 PolarHBondContact O-N 2.87Å; I114-T118 PolarHBondContact O-N 2.93Å; I114-T118 PolarHBondContact O-OG1 2.89Å; I114-L125 HydrophobicContact CG2-CB 3.84Å; I114-L125 HydrophobicContact CG2-CD2 4.1Å; I114-L125 HydrophobicContact CG2-CG 4.33Å; I114-L128 HydrophobicContact CD1-CD2 4.4Å; I114-A129 HydrophobicContact CB-CB 3.95Å; I114-A129 HydrophobicContact CG2-CB 3.61Å; I114-M132 HydrophobicContact CD1-SD 4.28Å |
| 115 | I | 94 | Very high | 93.5 | Very high | 38 Ų | 38 | 65.4 Ų | 65.4 | 20% | 0.195 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 179 | -67.2 | 165.9 | 0 | 0 | 0 | 111 | A111 T112 I113 F117 T118 L126 A129 M130 L133 | A111-I115 WeakPolarHBondContact O-CG1 3.33Å; A111-I115 PolarHBondContact O-N 2.94Å; T112-I115 PolarHBondContact O-N 3.4Å; I113-I115 PolarHBondContact O-N 2.91Å; I115-F117 VanDerWaalsContact C-N 3.28Å; I115-F117 PolarHBondContact O-N 3.14Å; I115-T118 PolarHBondContact O-N 3.37Å; I115-T118 VanDerWaalsContact O-N 3.14Å; I115-L126 HydrophobicContact CG1-CD2 4.18Å; I115-A129 HydrophobicContact CD1-CB 4.27Å; I115-A129 HydrophobicContact CG1-CB 3.72Å; I115-M130 HydrophobicContact CD1-SD 3.94Å; I115-L133 HydrophobicContact CD1-CD2 4.12Å |
| 116 | A | 94.6 | Very high | 93.4 | Very high | 78 Ų | 78 | 62 Ų | 62 | 65% | 0.645 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63 | -31.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T112 I113 I114 | T112-A116 VanDerWaalsContact O-CB 3.23Å; T112-A116 WeakPolarHBondContact O-CB 3.28Å; T112-A116 PolarHBondContact O-N 2.93Å; I113-A116 PolarHBondContact O-N 3.14Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.44Å |
| 117 | F | 93.1 | Very high | 93.3 | Very high | 168 Ų | 168 | 58.3 Ų | 58.3 | 74% | 0.737 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -99.2 | 1.3 | 177 | -69.1 | -72.4 | 0 | 0 | 0 | 113.5 | I113 I114 I115 | I113-F117 HydrophobicContact CG2-CD2 3.93Å; I113-F117 HydrophobicContact CG2-CE2 4.06Å; I113-F117 VanDerWaalsContact O-CD2 3.26Å; I113-F117 WeakPolarHBondContact O-CD2 3.44Å; I113-F117 PolarHBondContact O-N 3.04Å; I113-F117 VanDerWaalsContact O-N 3.17Å; I114-F117 PolarHBondContact O-N 2.87Å; I115-F117 VanDerWaalsContact C-N 3.28Å; I115-F117 PolarHBondContact O-N 3.14Å |
| 118 | T | 93.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | trans | -75.7 | 145.7 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | Y42 I114 I115 T122 L125 L126 | Y42-T118 HydrophobicContact CD1-CG2 4.44Å; Y42-T118 HydrophobicContact CE1-CG2 3.44Å; Y42-T118 VanDerWaalsContact CE1-CG2 3.44Å; Y42-T118 PolarHBondContact OH-O 3.36Å; I114-T118 PolarHBondContact O-N 2.93Å; I114-T118 PolarHBondContact O-OG1 2.89Å; I115-T118 PolarHBondContact O-N 3.37Å; I115-T118 VanDerWaalsContact O-N 3.14Å; T118-T122 WeakPolarHBondContact CG2-O 3.43Å; T118-L125 HydrophobicContact CG2-CB 4.47Å; T118-L126 HydrophobicContact CG2-CG 4.39Å | ||
| 119 | S | 89.4 | Confident | 93.3 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | trans | -137.5 | 175.7 | 174 | 63.6 | 0 | 0 | 0 | 0 | 109.1 | N121 T122 A123 | S119-N121 PolarHBondContact O-N 3.3Å; S119-N121 VanDerWaalsContact O-N 3.13Å; S119-T122 PolarHBondContact N-OG1 3.41Å; S119-T122 CarbonylContact O-C 3.39Å; S119-T122 PolarHBondContact O-N 3.43Å; S119-T122 PolarHBondContact O-OG1 3.47Å; S119-T122 PolarHBondContact OG-OG1 2.9Å; S119-A123 PolarHBondContact O-N 3.41Å | ||
| 120 | A | 86.3 | Confident | 93.3 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -51.5 | -38.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N41 T122 A123 | N41-A120 WeakPolarHBondContact O-CB 3.38Å; A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 2.88Å; A120-A123 WeakPolarHBondContact O-CB 3.29Å; A120-A123 PolarHBondContact O-N 2.92Å |
| 121 | N | 85.9 | Confident | 93.3 | Very high | 159 Ų | 159 | 54.9 Ų | 54.9 | 85% | 0.85 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -70.7 | -25.4 | 179.7 | -64.5 | -7.7 | 0 | 0 | 0 | 113.3 | S119 | S119-N121 PolarHBondContact O-N 3.3Å; S119-N121 VanDerWaalsContact O-N 3.13Å |
| 122 | T | 89.8 | Confident | 93.2 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -111.1 | 16.2 | -178.7 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | T118 S119 A120 M124 L125 | T118-T122 WeakPolarHBondContact CG2-O 3.43Å; S119-T122 PolarHBondContact N-OG1 3.41Å; S119-T122 CarbonylContact O-C 3.39Å; S119-T122 PolarHBondContact O-N 3.43Å; S119-T122 PolarHBondContact O-OG1 3.47Å; S119-T122 PolarHBondContact OG-OG1 2.9Å; A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 2.88Å; T122-M124 PolarHBondContact O-N 3.42Å; T122-L125 WeakPolarHBondContact O-CB 3.46Å; T122-L125 WeakPolarHBondContact O-CD1 3.49Å; T122-L125 PolarHBondContact O-N 3.31Å |
| 123 | A | 89.3 | Confident | 93.3 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -53.6 | -26.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y42 F43 S119 A120 L125 L126 | Y42-A123 HydrophobicContact CD1-CB 3.58Å; Y42-A123 HydrophobicContact CE1-CB 4.33Å; Y42-A123 HydrophobicContact CG-CB 4.12Å; F43-A123 HydrophobicContact CD1-CB 3.82Å; F43-A123 HydrophobicContact CD2-CB 4.17Å; F43-A123 HydrophobicContact CE1-CB 3.64Å; F43-A123 HydrophobicContact CE2-CB 4.01Å; F43-A123 HydrophobicContact CG-CB 4.08Å; F43-A123 HydrophobicContact CZ-CB 3.75Å; F43-A123 WeakPolarHBondContact CZ-O 3.46Å; S119-A123 PolarHBondContact O-N 3.41Å; A120-A123 WeakPolarHBondContact O-CB 3.29Å; A120-A123 PolarHBondContact O-N 2.92Å; A123-L125 PolarHBondContact O-N 2.87Å; A123-L125 VanDerWaalsContact O-N 3.14Å; A123-L126 VanDerWaalsContact O-CB 3.29Å; A123-L126 WeakPolarHBondContact O-CB 3.4Å; A123-L126 WeakPolarHBondContact O-CG 3.42Å; A123-L126 PolarHBondContact O-N 2.85Å |
| 124 | M | 91.6 | Very high | 93.2 | Very high | 126 Ų | 126 | 50.2 Ų | 50.2 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -56.8 | -25.5 | 173.1 | -67.3 | -63.7 | -76 | 0 | 0 | 113.6 | F43 T122 L126 F127 | F43-M124 HydrophobicContact CE1-CG 4.42Å; F43-M124 HydrophobicContact CE1-SD 3.82Å; T122-M124 PolarHBondContact O-N 3.42Å; M124-L126 PolarHBondContact O-N 3.33Å; M124-F127 HydrophobicContact CE-CD2 4.4Å; M124-F127 HydrophobicContact CE-CE2 4.38Å; M124-F127 WeakPolarHBondContact O-CB 3.49Å; M124-F127 WeakPolarHBondContact O-CD2 3.44Å; M124-F127 PolarHBondContact O-N 2.82Å; M124-F127 HydrophobicContact SD-CD2 4.16Å; M124-F127 HydrophobicContact SD-CE2 3.91Å |
| 125 | L | 93.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 48.8 Ų | 48.8 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -63.5 | -21.9 | 175.5 | -87.2 | 61.3 | 0 | 0 | 0 | 112.4 | I114 T118 T122 A123 F127 L128 A129 | I114-L125 HydrophobicContact CG2-CB 3.84Å; I114-L125 HydrophobicContact CG2-CD2 4.1Å; I114-L125 HydrophobicContact CG2-CG 4.33Å; T118-L125 HydrophobicContact CG2-CB 4.47Å; T122-L125 WeakPolarHBondContact O-CB 3.46Å; T122-L125 WeakPolarHBondContact O-CD1 3.49Å; T122-L125 PolarHBondContact O-N 3.31Å; A123-L125 PolarHBondContact O-N 2.87Å; A123-L125 VanDerWaalsContact O-N 3.14Å; L125-F127 PolarHBondContact O-N 3.46Å; L125-L128 PolarHBondContact O-N 3.39Å; L125-A129 PolarHBondContact O-N 2.86Å |
| 126 | L | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -28.3 | 175.2 | -67.8 | -177.4 | 0 | 0 | 0 | 112.9 | F37 Y42 F43 F70 I73 I115 T118 A123 M124 L128 A129 M130 | F37-L126 HydrophobicContact CD1-CD1 4.23Å; F37-L126 HydrophobicContact CD2-CD1 4.11Å; F37-L126 HydrophobicContact CE1-CD1 4.11Å; F37-L126 HydrophobicContact CE1-CD2 4.07Å; F37-L126 HydrophobicContact CE2-CD1 3.95Å; F37-L126 HydrophobicContact CE2-CD2 4.39Å; F37-L126 HydrophobicContact CG-CD1 4.25Å; F37-L126 HydrophobicContact CZ-CD1 3.96Å; F37-L126 HydrophobicContact CZ-CD2 3.76Å; Y42-L126 HydrophobicContact CD1-CD1 3.45Å; Y42-L126 VanDerWaalsContact CD1-CD1 3.45Å; Y42-L126 HydrophobicContact CD1-CG 4.22Å; Y42-L126 HydrophobicContact CE1-CD1 3.67Å; Y42-L126 HydrophobicContact CE1-CD2 4.36Å; Y42-L126 HydrophobicContact CE1-CG 4.05Å; F43-L126 HydrophobicContact CE2-CD1 4.3Å; F70-L126 HydrophobicContact CE1-CD1 4.46Å; I73-L126 HydrophobicContact CD1-CB 3.86Å; I115-L126 HydrophobicContact CG1-CD2 4.18Å; T118-L126 HydrophobicContact CG2-CG 4.39Å; A123-L126 VanDerWaalsContact O-CB 3.29Å; A123-L126 WeakPolarHBondContact O-CB 3.4Å; A123-L126 WeakPolarHBondContact O-CG 3.42Å; A123-L126 PolarHBondContact O-N 2.85Å; M124-L126 PolarHBondContact O-N 3.33Å; L126-L128 PolarHBondContact O-N 2.98Å; L126-A129 PolarHBondContact O-N 3.41Å; L126-M130 WeakPolarHBondContact O-CB 3.45Å; L126-M130 WeakPolarHBondContact O-CG 3.39Å; L126-M130 PolarHBondContact O-N 2.93Å |
| 127 | F | 94.8 | Very high | 93.2 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 20% | 0.197 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -26.5 | 173.9 | -76.1 | -78.5 | 0 | 0 | 0 | 112.7 | F43 K69 L72 I73 L76 M124 L125 P131 | F43-F127 HydrophobicContact CE1-CE2 4.03Å; F43-F127 HydrophobicContact CZ-CD2 4.37Å; F43-F127 AromaticContact CZ-CE2 3.82Å; F43-F127 HydrophobicContact CZ-CE2 3.82Å; K69-F127 HydrophobicContact CB-CZ 4.23Å; L72-F127 HydrophobicContact CB-CE1 4.2Å; L72-F127 HydrophobicContact CD2-CD1 3.89Å; L72-F127 HydrophobicContact CD2-CE1 3.39Å; L72-F127 HydrophobicContact CD2-CZ 4.47Å; L72-F127 HydrophobicContact CG-CE1 4.35Å; I73-F127 HydrophobicContact CB-CE1 4.47Å; I73-F127 HydrophobicContact CD1-CD1 4.46Å; I73-F127 HydrophobicContact CD1-CD2 4.33Å; I73-F127 HydrophobicContact CD1-CE1 4.23Å; I73-F127 HydrophobicContact CD1-CE2 4.13Å; I73-F127 HydrophobicContact CD1-CG 4.49Å; I73-F127 HydrophobicContact CD1-CZ 4.08Å; I73-F127 HydrophobicContact CG1-CD1 3.5Å; I73-F127 VanDerWaalsContact CG1-CD1 3.5Å; I73-F127 HydrophobicContact CG1-CD2 4.2Å; I73-F127 HydrophobicContact CG1-CE1 3.35Å; I73-F127 HydrophobicContact CG1-CE2 4.11Å; I73-F127 HydrophobicContact CG1-CG 3.91Å; I73-F127 HydrophobicContact CG1-CZ 3.7Å; L76-F127 WeakPolarHBondContact CD2-O 3.13Å; M124-F127 HydrophobicContact CE-CD2 4.4Å; M124-F127 HydrophobicContact CE-CE2 4.38Å; M124-F127 WeakPolarHBondContact O-CB 3.49Å; M124-F127 WeakPolarHBondContact O-CD2 3.44Å; M124-F127 PolarHBondContact O-N 2.82Å; M124-F127 HydrophobicContact SD-CD2 4.16Å; M124-F127 HydrophobicContact SD-CE2 3.91Å; L125-F127 PolarHBondContact O-N 3.46Å; F127-P131 VanDerWaalsContact O-CD 3.23Å; F127-P131 WeakPolarHBondContact O-CD 3.23Å; F127-P131 VanDerWaalsContact O-CG 3.23Å; F127-P131 WeakPolarHBondContact O-CG 3.23Å |
| 128 | L | 95.6 | Very high | 93.2 | Very high | 104 Ų | 104 | 36.1 Ų | 36.1 | 55% | 0.545 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -92 | -43.4 | 174.3 | 178.2 | 62 | 0 | 0 | 0 | 111.4 | I114 L125 L126 P131 M132 | I114-L128 HydrophobicContact CD1-CD2 4.4Å; L125-L128 PolarHBondContact O-N 3.39Å; L126-L128 PolarHBondContact O-N 2.98Å; L128-P131 WeakPolarHBondContact O-CD 3.43Å; L128-M132 HydrophobicContact CD1-CG 4.29Å; L128-M132 HydrophobicContact CD1-SD 3.75Å; L128-M132 HydrophobicContact CD2-SD 4.41Å; L128-M132 HydrophobicContact CG-SD 3.75Å; L128-M132 VanDerWaalsContact O-CG 3.28Å; L128-M132 WeakPolarHBondContact O-CG 3.48Å; L128-M132 PolarHBondContact O-N 2.99Å |
| 129 | A | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -46.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | A111 I114 I115 L125 L126 M132 L133 | A111-A129 WeakPolarHBondContact CB-O 3.24Å; I114-A129 HydrophobicContact CB-CB 3.95Å; I114-A129 HydrophobicContact CG2-CB 3.61Å; I115-A129 HydrophobicContact CD1-CB 4.27Å; I115-A129 HydrophobicContact CG1-CB 3.72Å; L125-A129 PolarHBondContact O-N 2.86Å; L126-A129 PolarHBondContact O-N 3.41Å; A129-M132 PolarHBondContact O-N 2.68Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 PolarHBondContact O-N 2.82Å |
| 130 | M | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | -175.8 | -67.7 | -59.8 | -55.5 | 0 | 0 | 113 | L27 W30 L33 I73 A77 I115 L126 L133 A134 | L27-M130 HydrophobicContact CD1-CE 4.27Å; W30-M130 HydrophobicContact CE3-CE 3.72Å; W30-M130 HydrophobicContact CZ3-CE 3.58Å; W30-M130 HydrophobicContact CZ3-CG 4.15Å; W30-M130 HydrophobicContact CZ3-SD 4.12Å; L33-M130 HydrophobicContact CD2-CE 3.78Å; L33-M130 HydrophobicContact CD2-SD 3.85Å; I73-M130 HydrophobicContact CG2-CB 3.55Å; I73-M130 HydrophobicContact CG2-CG 3.54Å; A77-M130 HydrophobicContact CB-CB 4.26Å; I115-M130 HydrophobicContact CD1-SD 3.94Å; L126-M130 WeakPolarHBondContact O-CB 3.45Å; L126-M130 WeakPolarHBondContact O-CG 3.39Å; L126-M130 PolarHBondContact O-N 2.93Å; M130-L133 HydrophobicContact CE-CD2 4.26Å; M130-L133 WeakPolarHBondContact O-CB 3.38Å; M130-L133 PolarHBondContact O-N 3.25Å; M130-L133 HydrophobicContact SD-CD2 4.34Å; M130-A134 PolarHBondContact O-N 3.32Å |
| 131 | P | 96.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.5 | -37.8 | 173.6 | -18.9 | 31.2 | 0 | 0 | 0 | 113.4 | L76 A77 M80 F127 L128 L133 A134 V135 | L76-P131 HydrophobicContact CB-CG 4.24Å; L76-P131 HydrophobicContact CD2-CG 3.63Å; L76-P131 HydrophobicContact CG-CB 4.32Å; L76-P131 HydrophobicContact CG-CG 3.6Å; A77-P131 HydrophobicContact CB-CG 4.41Å; M80-P131 HydrophobicContact CB-CB 3.96Å; M80-P131 HydrophobicContact CG-CB 3.7Å; F127-P131 VanDerWaalsContact O-CD 3.23Å; F127-P131 WeakPolarHBondContact O-CD 3.23Å; F127-P131 VanDerWaalsContact O-CG 3.23Å; F127-P131 WeakPolarHBondContact O-CG 3.23Å; L128-P131 WeakPolarHBondContact O-CD 3.43Å; P131-L133 VanDerWaalsContact C-N 3.3Å; P131-L133 PolarHBondContact O-N 2.91Å; P131-A134 PolarHBondContact O-N 3.45Å; P131-V135 VanDerWaalsContact O-CG2 3.24Å; P131-V135 WeakPolarHBondContact O-CG2 3.4Å; P131-V135 PolarHBondContact O-N 3.13Å |
| 132 | M | 95.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 15% | 0.153 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 172.8 | -72.1 | 176.3 | 67.3 | 0 | 0 | 111.7 | F107 C110 A111 I114 L128 A129 V135 G136 | F107-M132 HydrophobicContact CD1-CB 4.21Å; F107-M132 HydrophobicContact CD1-CE 3.84Å; F107-M132 HydrophobicContact CD1-CG 4.03Å; F107-M132 HydrophobicContact CE1-CE 4.37Å; F107-M132 HydrophobicContact CE1-CG 4.45Å; C110-M132 HydrophobicContact CB-CE 3.52Å; A111-M132 HydrophobicContact CB-CB 3.9Å; I114-M132 HydrophobicContact CD1-SD 4.28Å; L128-M132 HydrophobicContact CD1-CG 4.29Å; L128-M132 HydrophobicContact CD1-SD 3.75Å; L128-M132 HydrophobicContact CD2-SD 4.41Å; L128-M132 HydrophobicContact CG-SD 3.75Å; L128-M132 VanDerWaalsContact O-CG 3.28Å; L128-M132 WeakPolarHBondContact O-CG 3.48Å; L128-M132 PolarHBondContact O-N 2.99Å; A129-M132 PolarHBondContact O-N 2.68Å; M132-V135 PolarHBondContact O-N 3.31Å; M132-G136 PolarHBondContact O-N 3.43Å |
| 133 | L | 96.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 176.1 | -165.7 | 74.9 | 0 | 0 | 0 | 111 | V26 Y108 A111 T112 I115 A129 M130 P131 V135 G136 G137 | V26-L133 HydrophobicContact CB-CD2 4.13Å; V26-L133 HydrophobicContact CG1-CD2 3.86Å; Y108-L133 HydrophobicContact CD1-CD1 4.42Å; Y108-L133 HydrophobicContact CD2-CD1 3.89Å; Y108-L133 HydrophobicContact CE1-CD1 4.12Å; Y108-L133 HydrophobicContact CE2-CD1 3.53Å; Y108-L133 HydrophobicContact CE2-CG 4.04Å; Y108-L133 HydrophobicContact CG-CD1 4.31Å; A111-L133 HydrophobicContact CB-CB 3.75Å; A111-L133 HydrophobicContact CB-CD1 3.85Å; A111-L133 HydrophobicContact CB-CG 4.44Å; T112-L133 HydrophobicContact CG2-CD1 3.76Å; I115-L133 HydrophobicContact CD1-CD2 4.12Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 PolarHBondContact O-N 2.82Å; M130-L133 HydrophobicContact CE-CD2 4.26Å; M130-L133 WeakPolarHBondContact O-CB 3.38Å; M130-L133 PolarHBondContact O-N 3.25Å; M130-L133 HydrophobicContact SD-CD2 4.34Å; P131-L133 VanDerWaalsContact C-N 3.3Å; P131-L133 PolarHBondContact O-N 2.91Å; L133-V135 PolarHBondContact O-N 3.07Å; L133-G136 PolarHBondContact O-N 2.86Å; L133-G137 PolarHBondContact O-N 3.41Å |
| 134 | A | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L27 A77 N81 M130 P131 G137 I138 | L27-A134 HydrophobicContact CD2-CB 4.01Å; A77-A134 HydrophobicContact CB-CB 4.15Å; N81-A134 HydrophobicContact CB-CB 4.24Å; N81-A134 PolarHBondContact OD1-O 3.22Å; M130-A134 PolarHBondContact O-N 3.32Å; P131-A134 PolarHBondContact O-N 3.45Å; A134-G137 PolarHBondContact O-N 3.49Å; A134-I138 PolarHBondContact O-N 3.29Å |
| 135 | V | 95.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 5% | 0.048 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | M80 M84 F107 P131 M132 L133 G137 I138 L139 | M80-V135 HydrophobicContact CB-CG2 4.01Å; M84-V135 HydrophobicContact CB-CG1 3.97Å; M84-V135 HydrophobicContact CB-CG2 3.81Å; M84-V135 HydrophobicContact CG-CG1 4.16Å; M84-V135 HydrophobicContact CG-CG2 3.53Å; F107-V135 HydrophobicContact CD2-CG1 4.24Å; F107-V135 HydrophobicContact CG-CG1 4.44Å; P131-V135 VanDerWaalsContact O-CG2 3.24Å; P131-V135 WeakPolarHBondContact O-CG2 3.4Å; P131-V135 PolarHBondContact O-N 3.13Å; M132-V135 PolarHBondContact O-N 3.31Å; L133-V135 PolarHBondContact O-N 3.07Å; V135-G137 VanDerWaalsContact C-N 3.3Å; V135-G137 PolarHBondContact O-N 2.88Å; V135-I138 WeakPolarHBondContact O-CG2 3.4Å; V135-L139 HydrophobicContact CG1-CD1 4.2Å; V135-L139 WeakPolarHBondContact O-CG 3.42Å; V135-L139 PolarHBondContact O-N 3.01Å |
| 136 | G | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | M132 L133 L139 F140 | M132-G136 PolarHBondContact O-N 3.43Å; L133-G136 PolarHBondContact O-N 2.86Å; G136-L139 PolarHBondContact O-N 3Å; G136-F140 WeakPolarHBondContact O-CD2 3.19Å; G136-F140 PolarHBondContact O-N 3.3Å; G136-F140 VanDerWaalsContact O-N 3.15Å |
| 137 | G | 94.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.9 | -50.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A24 L133 A134 V135 L139 F140 L141 | A24-G137 WeakPolarHBondContact CB-O 3.42Å; A24-G137 CarbonylContact O-C 3.42Å; A24-G137 WeakPolarHBondContact O-CA 3.31Å; L133-G137 PolarHBondContact O-N 3.41Å; A134-G137 PolarHBondContact O-N 3.49Å; V135-G137 VanDerWaalsContact C-N 3.3Å; V135-G137 PolarHBondContact O-N 2.88Å; G137-L139 PolarHBondContact O-N 2.78Å; G137-F140 WeakPolarHBondContact O-CB 3.44Å; G137-F140 PolarHBondContact O-N 3.4Å; G137-F140 VanDerWaalsContact O-N 3.15Å; G137-L141 PolarHBondContact O-N 3.12Å |
| 138 | I | 93.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 18 Ų | 18 | 9% | 0.092 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.5 | -31.4 | 177.8 | -169.4 | 61.5 | 0 | 0 | 0 | 112.5 | N81 A134 V135 L141 I142 F166 | N81-I138 WeakPolarHBondContact OD1-CB 3.22Å; A134-I138 PolarHBondContact O-N 3.29Å; V135-I138 WeakPolarHBondContact O-CG2 3.4Å; I138-L141 HydrophobicContact CD1-CD2 4.12Å; I138-L141 WeakPolarHBondContact O-CB 3.14Å; I138-L141 PolarHBondContact O-N 3.34Å; I138-I142 HydrophobicContact CG1-CD1 3.98Å; I138-I142 HydrophobicContact CG1-CG1 4.42Å; I138-I142 WeakPolarHBondContact O-CG1 3.39Å; I138-I142 PolarHBondContact O-N 3.33Å; I138-F166 HydrophobicContact CD1-CE1 4.23Å; I138-F166 HydrophobicContact CD1-CZ 3.82Å |
| 139 | L | 93.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71 | -34.7 | 176.9 | -64.4 | -179.8 | 0 | 0 | 0 | 112.9 | T88 I103 A104 V135 G136 G137 L141 I142 T143 | T88-L139 HydrophobicContact CG2-CD1 3.8Å; T88-L139 HydrophobicContact CG2-CD2 3.08Å; T88-L139 HydrophobicContact CG2-CG 4.03Å; I103-L139 HydrophobicContact CG2-CD1 4.16Å; A104-L139 HydrophobicContact CB-CB 3.51Å; A104-L139 HydrophobicContact CB-CD1 4.2Å; V135-L139 HydrophobicContact CG1-CD1 4.2Å; V135-L139 WeakPolarHBondContact O-CG 3.42Å; V135-L139 PolarHBondContact O-N 3.01Å; G136-L139 PolarHBondContact O-N 3Å; G137-L139 PolarHBondContact O-N 2.78Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-I142 HydrophobicContact CD2-CD1 4.34Å; L139-T143 WeakPolarHBondContact O-CB 3.32Å; L139-T143 VanDerWaalsContact O-CG2 3.26Å; L139-T143 WeakPolarHBondContact O-CG2 3.48Å; L139-T143 PolarHBondContact O-N 2.89Å; L139-T143 PolarHBondContact O-OG1 3.04Å |
| 140 | F | 94.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 168.8 | -71 | -43.8 | 0 | 0 | 0 | 111.2 | E19 F23 A24 A104 I105 Y108 G136 G137 T143 N144 | E19-F140 HydrophobicContact CG-CG 4.45Å; F23-F140 HydrophobicContact CB-CD2 4.22Å; F23-F140 HydrophobicContact CB-CE2 4.27Å; A24-F140 HydrophobicContact CB-CB 4.03Å; A104-F140 HydrophobicContact CB-CD1 4Å; A104-F140 HydrophobicContact CB-CE1 3.85Å; A104-F140 HydrophobicContact CB-CZ 4.3Å; I105-F140 HydrophobicContact CG1-CE1 3.8Å; I105-F140 HydrophobicContact CG1-CZ 3.9Å; Y108-F140 HydrophobicContact CD1-CE2 4.32Å; Y108-F140 HydrophobicContact CD2-CD2 4.29Å; Y108-F140 AromaticContact CD2-CE2 3.84Å; Y108-F140 HydrophobicContact CD2-CE2 3.84Å; Y108-F140 AromaticContact CG-CE2 3.73Å; Y108-F140 HydrophobicContact CG-CE2 3.73Å; G136-F140 WeakPolarHBondContact O-CD2 3.19Å; G136-F140 PolarHBondContact O-N 3.3Å; G136-F140 VanDerWaalsContact O-N 3.15Å; G137-F140 WeakPolarHBondContact O-CB 3.44Å; G137-F140 PolarHBondContact O-N 3.4Å; G137-F140 VanDerWaalsContact O-N 3.15Å; F140-T143 PolarHBondContact O-N 3.38Å; F140-T143 PolarHBondContact O-OG1 3.36Å; F140-T143 VanDerWaalsContact O-OG1 3.11Å; F140-N144 VanDerWaalsContact O-CB 3.32Å; F140-N144 WeakPolarHBondContact O-CB 3.29Å; F140-N144 PolarHBondContact O-N 2.96Å; F140-N144 PolarHBondContact O-ND2 3.34Å; F140-N144 VanDerWaalsContact O-ND2 3.08Å |
| 141 | L | 93.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.2 | -57 | 174.8 | 175.7 | 61.9 | 0 | 0 | 0 | 111.3 | G137 I138 L139 T143 N144 L145 F166 | G137-L141 PolarHBondContact O-N 3.12Å; I138-L141 HydrophobicContact CD1-CD2 4.12Å; I138-L141 WeakPolarHBondContact O-CB 3.14Å; I138-L141 PolarHBondContact O-N 3.34Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 3.26Å; L141-N144 PolarHBondContact O-N 2.95Å; L141-L145 HydrophobicContact CD1-CD2 3.88Å; L141-L145 HydrophobicContact CD1-CG 4.07Å; L141-L145 HydrophobicContact CG-CD1 4.43Å; L141-L145 HydrophobicContact CG-CG 4.29Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 2.94Å; L141-F166 HydrophobicContact CB-CD2 3.94Å; L141-F166 HydrophobicContact CB-CE2 4.11Å; L141-F166 HydrophobicContact CB-CG 4.32Å; L141-F166 HydrophobicContact CD1-CB 4.05Å; L141-F166 HydrophobicContact CD1-CG 4.42Å; L141-F166 HydrophobicContact CD2-CB 4.1Å; L141-F166 HydrophobicContact CD2-CD1 3.53Å; L141-F166 HydrophobicContact CD2-CD2 4.07Å; L141-F166 HydrophobicContact CD2-CE1 3.75Å; L141-F166 HydrophobicContact CD2-CE2 4.29Å; L141-F166 HydrophobicContact CD2-CG 3.68Å; L141-F166 HydrophobicContact CD2-CZ 4.16Å; L141-F166 HydrophobicContact CG-CD2 4.46Å; L141-F166 HydrophobicContact CG-CG 4.34Å |
| 142 | I | 92 | Very high | 92.9 | Very high | 36 Ų | 36 | 25 Ų | 25 | 19% | 0.185 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56 | -41.5 | -175.7 | -69.3 | 167 | 0 | 0 | 0 | 111.5 | T85 F92 I138 L139 L145 | T85-I142 HydrophobicContact CG2-CD1 3.92Å; F92-I142 HydrophobicContact CD2-CG2 4.39Å; F92-I142 HydrophobicContact CE1-CG2 4.49Å; F92-I142 HydrophobicContact CE2-CG2 4.09Å; F92-I142 HydrophobicContact CZ-CG2 4.02Å; I138-I142 HydrophobicContact CG1-CD1 3.98Å; I138-I142 HydrophobicContact CG1-CG1 4.42Å; I138-I142 WeakPolarHBondContact O-CG1 3.39Å; I138-I142 PolarHBondContact O-N 3.33Å; L139-I142 HydrophobicContact CD2-CD1 4.34Å; I142-L145 PolarHBondContact O-N 3.42Å |
| 143 | T | 92.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.8 | -36.8 | 178.9 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | F92 T97 A100 R101 L139 F140 L141 Q146 | F92-T143 HydrophobicContact CD2-CG2 4.14Å; F92-T143 HydrophobicContact CE2-CG2 3.85Å; T97-T143 HydrophobicContact CG2-CG2 4Å; A100-T143 HydrophobicContact CB-CG2 3.96Å; R101-T143 HydrophobicContact CG-CG2 3.67Å; L139-T143 WeakPolarHBondContact O-CB 3.32Å; L139-T143 VanDerWaalsContact O-CG2 3.26Å; L139-T143 WeakPolarHBondContact O-CG2 3.48Å; L139-T143 PolarHBondContact O-N 2.89Å; L139-T143 PolarHBondContact O-OG1 3.04Å; F140-T143 PolarHBondContact O-N 3.38Å; F140-T143 PolarHBondContact O-OG1 3.36Å; F140-T143 VanDerWaalsContact O-OG1 3.11Å; L141-T143 PolarHBondContact O-N 3.26Å; T143-Q146 WeakPolarHBondContact O-CB 3.47Å; T143-Q146 PolarHBondContact O-N 3.45Å |
| 144 | N | 93.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.9 | -29.5 | 174.7 | -80.4 | -41.4 | 0 | 0 | 0 | 113.6 | E19 F140 L141 Q146 I147 Y162 | E19-N144 PolarHBondContact OE2-ND2 3.18Å; F140-N144 VanDerWaalsContact O-CB 3.32Å; F140-N144 WeakPolarHBondContact O-CB 3.29Å; F140-N144 PolarHBondContact O-N 2.96Å; F140-N144 PolarHBondContact O-ND2 3.34Å; F140-N144 VanDerWaalsContact O-ND2 3.08Å; L141-N144 PolarHBondContact O-N 2.95Å; N144-Q146 PolarHBondContact O-N 3.12Å; N144-Q146 VanDerWaalsContact O-N 3.08Å; N144-I147 HydrophobicContact CB-CD1 4.41Å; N144-I147 VanDerWaalsContact O-CB 3.25Å; N144-I147 WeakPolarHBondContact O-CB 3.48Å; N144-I147 WeakPolarHBondContact O-CG1 3.4Å; N144-I147 PolarHBondContact O-N 3.13Å; N144-I147 WeakPolarHBondContact OD1-CD1 3.37Å; N144-Y162 HydrophobicContact CB-CD1 3.85Å; N144-Y162 HydrophobicContact CB-CE1 3.6Å; N144-Y162 HydrophobicContact CB-CG 4.43Å; N144-Y162 WeakPolarHBondContact O-CE2 3.42Å |
| 145 | L | 92.7 | Very high | 92.2 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -24.7 | 175.5 | -68.1 | -173.7 | 0 | 0 | 0 | 113.1 | L141 I142 I147 G148 I159 Y162 | L141-L145 HydrophobicContact CD1-CD2 3.88Å; L141-L145 HydrophobicContact CD1-CG 4.07Å; L141-L145 HydrophobicContact CG-CD1 4.43Å; L141-L145 HydrophobicContact CG-CG 4.29Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 2.94Å; I142-L145 PolarHBondContact O-N 3.42Å; L145-I147 PolarHBondContact O-N 3.22Å; L145-G148 PolarHBondContact O-N 3.34Å; L145-I159 HydrophobicContact CD2-CB 4.28Å; L145-I159 HydrophobicContact CD2-CG1 4.33Å; L145-I159 HydrophobicContact CD2-CG2 3.94Å; L145-Y162 HydrophobicContact CD2-CD2 4.46Å; L145-Y162 HydrophobicContact CD2-CG 4.3Å |
| 146 | Q | 91 | Very high | 92.2 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -63 | -26.7 | 174.6 | -64.4 | -166.4 | -11.6 | 0 | 0 | 113.5 | F92 T97 T143 N144 G148 N149 | F92-Q146 HydrophobicContact CE1-CG 4.39Å; F92-Q146 VanDerWaalsContact CE1-NE2 3.34Å; F92-Q146 HydrophobicContact CE2-CG 4.12Å; F92-Q146 VanDerWaalsContact CZ-CD 3.46Å; F92-Q146 HydrophobicContact CZ-CG 3.49Å; F92-Q146 VanDerWaalsContact CZ-CG 3.49Å; T97-Q146 VanDerWaalsContact CG2-OE1 3.32Å; T97-Q146 PolarHBondContact OG1-NE2 3.23Å; T97-Q146 PolarHBondContact OG1-OE1 3.49Å; T143-Q146 WeakPolarHBondContact O-CB 3.47Å; T143-Q146 PolarHBondContact O-N 3.45Å; N144-Q146 PolarHBondContact O-N 3.12Å; N144-Q146 VanDerWaalsContact O-N 3.08Å; Q146-G148 PolarHBondContact O-N 3.43Å; Q146-N149 VanDerWaalsContact O-CB 3.24Å; Q146-N149 WeakPolarHBondContact O-CB 3.47Å; Q146-N149 PolarHBondContact O-N 2.8Å; Q146-N149 PolarHBondContact O-ND2 3.36Å |
| 147 | I | 92.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60.1 | -29.6 | 179.1 | -65.8 | 164 | 0 | 0 | 0 | 110 | T12 L13 N144 L145 N149 L150 F151 Y162 | T12-I147 HydrophobicContact CG2-CD1 3.78Å; T12-I147 HydrophobicContact CG2-CG1 3.91Å; T12-I147 HydrophobicContact CG2-CG2 4.41Å; L13-I147 HydrophobicContact CB-CG2 4.36Å; L13-I147 HydrophobicContact CD1-CG2 4.39Å; N144-I147 HydrophobicContact CB-CD1 4.41Å; N144-I147 VanDerWaalsContact O-CB 3.25Å; N144-I147 WeakPolarHBondContact O-CB 3.48Å; N144-I147 WeakPolarHBondContact O-CG1 3.4Å; N144-I147 PolarHBondContact O-N 3.13Å; N144-I147 WeakPolarHBondContact OD1-CD1 3.37Å; L145-I147 PolarHBondContact O-N 3.22Å; I147-N149 PolarHBondContact O-N 2.98Å; I147-N149 VanDerWaalsContact O-N 3.14Å; I147-L150 HydrophobicContact CG2-CD1 4.38Å; I147-L150 VanDerWaalsContact O-CB 3.3Å; I147-L150 WeakPolarHBondContact O-CB 3.46Å; I147-L150 PolarHBondContact O-N 2.78Å; I147-F151 HydrophobicContact CG2-CE2 3.92Å; I147-F151 WeakPolarHBondContact O-CD2 3.48Å; I147-Y162 HydrophobicContact CB-CE2 3.98Å; I147-Y162 HydrophobicContact CD1-CE2 4.42Å; I147-Y162 WeakPolarHBondContact CD1-OH 3.08Å; I147-Y162 HydrophobicContact CG2-CE2 4.24Å |
| 148 | G | 90.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -55.3 | -30.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L145 Q146 L150 F151 R155 | L145-G148 PolarHBondContact O-N 3.34Å; Q146-G148 PolarHBondContact O-N 3.43Å; G148-L150 PolarHBondContact O-N 3.11Å; G148-F151 PolarHBondContact O-N 3.18Å; G148-F151 VanDerWaalsContact O-N 3.17Å; G148-R155 VanDerWaalsContact O-CA 3.31Å; G148-R155 WeakPolarHBondContact O-CA 3.3Å; G148-R155 VanDerWaalsContact O-CB 3.26Å; G148-R155 WeakPolarHBondContact O-CB 3.38Å; G148-R155 WeakPolarHBondContact O-CG 3.37Å |
| 149 | N | 91 | Very high | 92.2 | Very high | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -65.4 | -23.2 | 177.8 | -62.5 | -28.6 | 0 | 0 | 0 | 112.7 | Q146 I147 F151 R155 | Q146-N149 VanDerWaalsContact O-CB 3.24Å; Q146-N149 WeakPolarHBondContact O-CB 3.47Å; Q146-N149 PolarHBondContact O-N 2.8Å; Q146-N149 PolarHBondContact O-ND2 3.36Å; I147-N149 PolarHBondContact O-N 2.98Å; I147-N149 VanDerWaalsContact O-N 3.14Å; N149-F151 VanDerWaalsContact C-N 3.26Å; N149-F151 PolarHBondContact O-N 3.34Å; N149-R155 WeakPolarHBondContact OD1-CD 3.36Å; N149-R155 PolarHBondContact OD1-NE 3.12Å |
| 150 | L | 90.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 58.1 Ų | 58.1 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -72.4 | -19.6 | 177.6 | -57 | 178.8 | 0 | 0 | 0 | 112.9 | Y9 I147 G148 | Y9-L150 HydrophobicContact CD1-CD1 4.18Å; Y9-L150 HydrophobicContact CD2-CB 4.31Å; Y9-L150 HydrophobicContact CG-CB 4.37Å; I147-L150 HydrophobicContact CG2-CD1 4.38Å; I147-L150 VanDerWaalsContact O-CB 3.3Å; I147-L150 WeakPolarHBondContact O-CB 3.46Å; I147-L150 PolarHBondContact O-N 2.78Å; G148-L150 PolarHBondContact O-N 3.11Å |
| 151 | F | 89.9 | Confident | 92.3 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -102.4 | 8.7 | -172.8 | -68.4 | -92.6 | 0 | 0 | 0 | 114 | Y9 L13 I147 G148 N149 K153 H154 I158 | Y9-F151 WeakPolarHBondContact O-CZ 3.16Å; L13-F151 HydrophobicContact CB-CE2 4.19Å; L13-F151 HydrophobicContact CB-CZ 3.98Å; L13-F151 HydrophobicContact CD2-CE1 4.44Å; L13-F151 HydrophobicContact CD2-CE2 4.42Å; L13-F151 HydrophobicContact CD2-CZ 3.94Å; I147-F151 HydrophobicContact CG2-CE2 3.92Å; I147-F151 WeakPolarHBondContact O-CD2 3.48Å; G148-F151 PolarHBondContact O-N 3.18Å; G148-F151 VanDerWaalsContact O-N 3.17Å; N149-F151 VanDerWaalsContact C-N 3.26Å; N149-F151 PolarHBondContact O-N 3.34Å; F151-K153 PolarHBondContact O-N 3.21Å; F151-H154 HydrophobicContact CB-CB 4.25Å; F151-H154 PolarHBondContact O-N 3.19Å; F151-I158 HydrophobicContact CB-CG1 3.94Å; F151-I158 HydrophobicContact CD1-CD1 4.46Å; F151-I158 HydrophobicContact CD1-CG1 4.42Å; F151-I158 HydrophobicContact CD2-CD1 4.39Å; F151-I158 HydrophobicContact CD2-CG1 3.85Å; F151-I158 HydrophobicContact CD2-CG2 4.47Å; F151-I158 HydrophobicContact CE2-CG1 4.48Å; F151-I158 HydrophobicContact CG-CD1 4.31Å; F151-I158 HydrophobicContact CG-CG1 3.82Å |
| 152 | G | 88.8 | Confident | 92.5 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | 49.9 | -108.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H154 R155 | G152-H154 PolarHBondContact O-N 3.41Å; G152-R155 VanDerWaalsContact O-CB 3.23Å; G152-R155 WeakPolarHBondContact O-CB 3.41Å; G152-R155 PolarHBondContact O-N 2.86Å; G152-R155 VanDerWaalsContact O-N 3.11Å |
| 153 | K | 89.3 | Confident | 92.6 | Very high | 203 Ų | 203 | 62.5 Ų | 62.5 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -58.7 | -27.4 | -179.8 | -171 | 177.6 | 178.6 | -177.8 | 0 | 113.6 | F151 | F151-K153 PolarHBondContact O-N 3.21Š|
| 154 | H | 90.8 | Very high | 92.6 | Very high | 114 Ų | 114 | 63.8 Ų | 63.8 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -95.6 | 8.2 | -179.1 | -57.6 | -71.6 | 0 | 0 | 0 | 113.6 | F151 G152 S156 T157 I158 | F151-H154 HydrophobicContact CB-CB 4.25Å; F151-H154 PolarHBondContact O-N 3.19Å; G152-H154 PolarHBondContact O-N 3.41Å; H154-S156 VanDerWaalsContact C-N 3.29Å; H154-S156 PolarHBondContact O-N 3.12Å; H154-T157 WeakPolarHBondContact O-CB 3.41Å; H154-T157 PolarHBondContact O-N 3.37Å; H154-T157 VanDerWaalsContact O-N 3.11Å; H154-I158 PolarHBondContact O-N 3.49Å; H154-I158 VanDerWaalsContact O-N 3.14Å |
| 155 | R | 92.6 | Very high | 92.6 | Very high | 129 Ų | 129 | 63.8 Ų | 63.8 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -48.1 | -47.9 | -178.8 | 173.5 | 178.9 | 179.9 | -139.4 | -1.3 | 113.3 | G148 N149 G152 I158 I159 | G148-R155 VanDerWaalsContact O-CA 3.31Å; G148-R155 WeakPolarHBondContact O-CA 3.3Å; G148-R155 VanDerWaalsContact O-CB 3.26Å; G148-R155 WeakPolarHBondContact O-CB 3.38Å; G148-R155 WeakPolarHBondContact O-CG 3.37Å; N149-R155 WeakPolarHBondContact OD1-CD 3.36Å; N149-R155 PolarHBondContact OD1-NE 3.12Å; G152-R155 VanDerWaalsContact O-CB 3.23Å; G152-R155 WeakPolarHBondContact O-CB 3.41Å; G152-R155 PolarHBondContact O-N 2.86Å; G152-R155 VanDerWaalsContact O-N 3.11Å; R155-I158 PolarHBondContact O-N 3.24Å; R155-I159 HydrophobicContact CG-CD1 3.74Å; R155-I159 HydrophobicContact CG-CG1 4.48Å; R155-I159 WeakPolarHBondContact O-CG1 3.34Å; R155-I159 PolarHBondContact O-N 2.99Å |
| 156 | S | 94.2 | Very high | 92.6 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -46.2 | -178.4 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | H154 I158 I159 T160 | H154-S156 VanDerWaalsContact C-N 3.29Å; H154-S156 PolarHBondContact O-N 3.12Å; S156-I158 VanDerWaalsContact C-N 3.3Å; S156-I158 PolarHBondContact O-N 2.95Å; S156-I159 PolarHBondContact O-N 3.45Å; S156-I159 VanDerWaalsContact O-N 3.16Å; S156-T160 PolarHBondContact O-N 3.38Å; S156-T160 PolarHBondContact O-OG1 3.36Å; S156-T160 VanDerWaalsContact O-OG1 3.07Å |
| 157 | T | 94.4 | Very high | 92.5 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 58% | 0.577 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.3 | -42.8 | 176.8 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | H154 T160 L161 | H154-T157 WeakPolarHBondContact O-CB 3.41Å; H154-T157 PolarHBondContact O-N 3.37Å; H154-T157 VanDerWaalsContact O-N 3.11Å; T157-T160 PolarHBondContact O-N 2.99Å; T157-L161 WeakPolarHBondContact O-CB 3.29Å; T157-L161 PolarHBondContact O-N 3.44Å |
| 158 | I | 95 | Very high | 92.3 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 177.7 | -61 | -54.8 | 0 | 0 | 0 | 111.4 | L13 F151 H154 R155 S156 T160 L161 Y162 | L13-I158 HydrophobicContact CD1-CD1 4.05Å; L13-I158 HydrophobicContact CD1-CG2 3.59Å; L13-I158 HydrophobicContact CD2-CD1 3.63Å; F151-I158 HydrophobicContact CB-CG1 3.94Å; F151-I158 HydrophobicContact CD1-CD1 4.46Å; F151-I158 HydrophobicContact CD1-CG1 4.42Å; F151-I158 HydrophobicContact CD2-CD1 4.39Å; F151-I158 HydrophobicContact CD2-CG1 3.85Å; F151-I158 HydrophobicContact CD2-CG2 4.47Å; F151-I158 HydrophobicContact CE2-CG1 4.48Å; F151-I158 HydrophobicContact CG-CD1 4.31Å; F151-I158 HydrophobicContact CG-CG1 3.82Å; H154-I158 PolarHBondContact O-N 3.49Å; H154-I158 VanDerWaalsContact O-N 3.14Å; R155-I158 PolarHBondContact O-N 3.24Å; S156-I158 VanDerWaalsContact C-N 3.3Å; S156-I158 PolarHBondContact O-N 2.95Å; I158-T160 VanDerWaalsContact C-N 3.35Å; I158-T160 PolarHBondContact O-N 3.35Å; I158-L161 WeakPolarHBondContact O-CB 3.44Å; I158-L161 PolarHBondContact O-N 3.5Å; I158-Y162 HydrophobicContact CG2-CD2 3.84Å; I158-Y162 HydrophobicContact CG2-CE2 3.66Å; I158-Y162 VanDerWaalsContact O-CD2 3.26Å; I158-Y162 WeakPolarHBondContact O-CD2 3.43Å; I158-Y162 PolarHBondContact O-N 3.08Å |
| 159 | I | 94.3 | Very high | 91.7 | Very high | 41 Ų | 41 | 70.2 Ų | 70.2 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.3 | -72.1 | 170.9 | 0 | 0 | 0 | 110.7 | L145 R155 S156 L161 Y162 N163 | L145-I159 HydrophobicContact CD2-CB 4.28Å; L145-I159 HydrophobicContact CD2-CG1 4.33Å; L145-I159 HydrophobicContact CD2-CG2 3.94Å; R155-I159 HydrophobicContact CG-CD1 3.74Å; R155-I159 HydrophobicContact CG-CG1 4.48Å; R155-I159 WeakPolarHBondContact O-CG1 3.34Å; R155-I159 PolarHBondContact O-N 2.99Å; S156-I159 PolarHBondContact O-N 3.45Å; S156-I159 VanDerWaalsContact O-N 3.16Å; I159-L161 VanDerWaalsContact C-N 3.31Å; I159-L161 PolarHBondContact O-N 2.77Å; I159-Y162 PolarHBondContact O-N 3.07Å; I159-N163 PolarHBondContact O-N 3.22Å; I159-N163 VanDerWaalsContact O-N 3.08Å; I159-N163 PolarHBondContact O-ND2 2.62Å |
| 160 | T | 95.1 | Very high | 91.7 | Very high | 90 Ų | 90 | 69.2 Ų | 69.2 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 176.3 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | S156 T157 I158 Y162 N163 G164 | S156-T160 PolarHBondContact O-N 3.38Å; S156-T160 PolarHBondContact O-OG1 3.36Å; S156-T160 VanDerWaalsContact O-OG1 3.07Å; T157-T160 PolarHBondContact O-N 2.99Å; I158-T160 VanDerWaalsContact C-N 3.35Å; I158-T160 PolarHBondContact O-N 3.35Å; T160-Y162 VanDerWaalsContact C-N 3.32Å; T160-Y162 PolarHBondContact O-N 3.29Å; T160-N163 PolarHBondContact O-N 2.93Å; T160-G164 PolarHBondContact O-N 3.34Å |
| 161 | L | 95.2 | Very high | 91.8 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 177.9 | -168.4 | 68.6 | 0 | 0 | 0 | 111.9 | L17 T157 I158 I159 G164 A165 | L17-L161 HydrophobicContact CD1-CD2 3.55Å; L17-L161 HydrophobicContact CD1-CG 4.2Å; L17-L161 HydrophobicContact CD2-CB 4.44Å; L17-L161 HydrophobicContact CD2-CD2 3.99Å; L17-L161 HydrophobicContact CD2-CG 3.77Å; L17-L161 HydrophobicContact CG-CD2 4.39Å; T157-L161 WeakPolarHBondContact O-CB 3.29Å; T157-L161 PolarHBondContact O-N 3.44Å; I158-L161 WeakPolarHBondContact O-CB 3.44Å; I158-L161 PolarHBondContact O-N 3.5Å; I159-L161 VanDerWaalsContact C-N 3.31Å; I159-L161 PolarHBondContact O-N 2.77Å; L161-G164 PolarHBondContact O-N 2.99Å; L161-A165 WeakPolarHBondContact O-CB 3.27Å; L161-A165 PolarHBondContact O-N 3.48Å |
| 162 | Y | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 174.9 | -86.1 | -62.9 | 0 | 0 | 0 | 113.8 | L13 G16 L17 C20 N144 L145 I147 I158 I159 T160 G164 A165 F166 | L13-Y162 HydrophobicContact CD1-CE2 3.69Å; L13-Y162 PolarHBondContact O-OH 3.48Å; G16-Y162 VanDerWaalsContact C-CE1 3.41Å; L17-Y162 HydrophobicContact CD2-CD1 3.82Å; L17-Y162 HydrophobicContact CD2-CE1 3.92Å; L17-Y162 HydrophobicContact CD2-CG 4.28Å; L17-Y162 HydrophobicContact CG-CD1 4.47Å; L17-Y162 HydrophobicContact CG-CE1 4.07Å; C20-Y162 HydrophobicContact CB-CD1 4.45Å; N144-Y162 HydrophobicContact CB-CD1 3.85Å; N144-Y162 HydrophobicContact CB-CE1 3.6Å; N144-Y162 HydrophobicContact CB-CG 4.43Å; N144-Y162 WeakPolarHBondContact O-CE2 3.42Å; L145-Y162 HydrophobicContact CD2-CD2 4.46Å; L145-Y162 HydrophobicContact CD2-CG 4.3Å; I147-Y162 HydrophobicContact CB-CE2 3.98Å; I147-Y162 HydrophobicContact CD1-CE2 4.42Å; I147-Y162 WeakPolarHBondContact CD1-OH 3.08Å; I147-Y162 HydrophobicContact CG2-CE2 4.24Å; I158-Y162 HydrophobicContact CG2-CD2 3.84Å; I158-Y162 HydrophobicContact CG2-CE2 3.66Å; I158-Y162 VanDerWaalsContact O-CD2 3.26Å; I158-Y162 WeakPolarHBondContact O-CD2 3.43Å; I158-Y162 PolarHBondContact O-N 3.08Å; I159-Y162 PolarHBondContact O-N 3.07Å; T160-Y162 VanDerWaalsContact C-N 3.32Å; T160-Y162 PolarHBondContact O-N 3.29Å; Y162-G164 VanDerWaalsContact C-N 3.35Å; Y162-A165 PolarHBondContact O-N 3.48Å; Y162-F166 WeakPolarHBondContact O-CB 3.47Å; Y162-F166 PolarHBondContact O-N 2.05Å |
| 163 | N | 93.9 | Very high | 92.1 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 174.3 | -73.7 | -81.5 | 0 | 0 | 0 | 110.4 | I159 T160 A165 F166 D167 | I159-N163 PolarHBondContact O-N 3.22Å; I159-N163 VanDerWaalsContact O-N 3.08Å; I159-N163 PolarHBondContact O-ND2 2.62Å; T160-N163 PolarHBondContact O-N 2.93Å; N163-A165 VanDerWaalsContact C-N 3.31Å; N163-A165 PolarHBondContact O-N 3Å; N163-F166 WeakPolarHBondContact O-CB 3.45Å; N163-F166 PolarHBondContact O-N 3.19Å; N163-F166 VanDerWaalsContact O-N 3.14Å; N163-D167 PolarHBondContact O-N 2.93Å |
| 164 | G | 93.9 | Very high | 92.3 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T160 L161 Y162 S168 | T160-G164 PolarHBondContact O-N 3.34Å; L161-G164 PolarHBondContact O-N 2.99Å; Y162-G164 VanDerWaalsContact C-N 3.35Å; G164-S168 WeakPolarHBondContact O-CB 2.88Å; G164-S168 PolarHBondContact O-N 3.34Å; G164-S168 PolarHBondContact O-OG 3.46Å |
| 165 | A | 93.5 | Very high | 92.4 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | L17 C20 I21 L161 Y162 N163 S169 | L17-A165 HydrophobicContact CD2-CB 3.91Å; C20-A165 HydrophobicContact CB-CB 4Å; I21-A165 HydrophobicContact CD1-CB 4.5Å; I21-A165 HydrophobicContact CG1-CB 3.89Å; L161-A165 WeakPolarHBondContact O-CB 3.27Å; L161-A165 PolarHBondContact O-N 3.48Å; Y162-A165 PolarHBondContact O-N 3.48Å; N163-A165 VanDerWaalsContact C-N 3.31Å; N163-A165 PolarHBondContact O-N 3Å; A165-S169 PolarHBondContact O-N 2.67Å |
| 166 | F | 92.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 4% | 0.044 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 176.2 | 175.3 | -110.3 | 0 | 0 | 0 | 112.6 | A24 G25 F28 I138 L141 Y162 N163 S168 S169 | A24-F166 VanDerWaalsContact C-CD2 3.49Å; A24-F166 VanDerWaalsContact C-CE2 3.43Å; A24-F166 HydrophobicContact CB-CD2 3.48Å; A24-F166 VanDerWaalsContact CB-CD2 3.48Å; A24-F166 HydrophobicContact CB-CE2 3.95Å; A24-F166 WeakPolarHBondContact O-CE2 3.18Å; G25-F166 WeakPolarHBondContact CA-O 3.29Å; F28-F166 HydrophobicContact CD2-CE1 4.46Å; F28-F166 WeakPolarHBondContact CD2-O 3.31Å; F28-F166 AromaticContact CE2-CD1 3.51Å; F28-F166 HydrophobicContact CE2-CD1 3.51Å; F28-F166 HydrophobicContact CE2-CD2 4.5Å; F28-F166 AromaticContact CE2-CE1 3.22Å; F28-F166 HydrophobicContact CE2-CE1 3.22Å; F28-F166 HydrophobicContact CE2-CE2 4.26Å; F28-F166 HydrophobicContact CE2-CG 4.18Å; F28-F166 AromaticContact CE2-CZ 3.63Å; F28-F166 HydrophobicContact CE2-CZ 3.63Å; F28-F166 HydrophobicContact CZ-CD1 4.08Å; F28-F166 AromaticContact CZ-CE1 3.55Å; F28-F166 HydrophobicContact CZ-CE1 3.55Å; F28-F166 HydrophobicContact CZ-CZ 4.14Å; I138-F166 HydrophobicContact CD1-CE1 4.23Å; I138-F166 HydrophobicContact CD1-CZ 3.82Å; L141-F166 HydrophobicContact CB-CD2 3.94Å; L141-F166 HydrophobicContact CB-CE2 4.11Å; L141-F166 HydrophobicContact CB-CG 4.32Å; L141-F166 HydrophobicContact CD1-CB 4.05Å; L141-F166 HydrophobicContact CD1-CG 4.42Å; L141-F166 HydrophobicContact CD2-CB 4.1Å; L141-F166 HydrophobicContact CD2-CD1 3.53Å; L141-F166 HydrophobicContact CD2-CD2 4.07Å; L141-F166 HydrophobicContact CD2-CE1 3.75Å; L141-F166 HydrophobicContact CD2-CE2 4.29Å; L141-F166 HydrophobicContact CD2-CG 3.68Å; L141-F166 HydrophobicContact CD2-CZ 4.16Å; L141-F166 HydrophobicContact CG-CD2 4.46Å; L141-F166 HydrophobicContact CG-CG 4.34Å; Y162-F166 WeakPolarHBondContact O-CB 3.47Å; Y162-F166 PolarHBondContact O-N 2.05Å; N163-F166 WeakPolarHBondContact O-CB 3.45Å; N163-F166 PolarHBondContact O-N 3.19Å; N163-F166 VanDerWaalsContact O-N 3.14Å; F166-S168 VanDerWaalsContact C-N 3.27Å; F166-S168 PolarHBondContact O-N 3.28Å; F166-S169 PolarHBondContact O-OG 2.59Å |
| 167 | D | 89.3 | Confident | 92.2 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -75.6 | -19.6 | -179.3 | -63.4 | -25.8 | 0 | 0 | 0 | 112.3 | N163 | N163-D167 PolarHBondContact O-N 2.93Å |
| 168 | S | 88.3 | Confident | 92 | Very high | 100 Ų | 100 | 48.9 Ų | 48.9 | 70% | 0.699 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -4.6 | -179 | -54.6 | 0 | 0 | 0 | 0 | 114.6 | G164 F166 | G164-S168 WeakPolarHBondContact O-CB 2.88Å; G164-S168 PolarHBondContact O-N 3.34Å; G164-S168 PolarHBondContact O-OG 3.46Å; F166-S168 VanDerWaalsContact C-N 3.27Å; F166-S168 PolarHBondContact O-N 3.28Å |
| 169 | S | 77.6 | Confident | 91.8 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -72.7 | 0 | -177.1 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | I21 G25 A165 F166 | I21-S169 WeakPolarHBondContact O-CB 3.42Å; G25-S169 WeakPolarHBondContact CA-OG 3.32Å; G25-S169 PolarHBondContact N-OG 3.24Å; G25-S169 VanDerWaalsContact N-OG 3.15Å; G25-S169 PolarHBondContact O-OG 2.82Å; G25-S169 VanDerWaalsContact O-OG 3.07Å; A165-S169 PolarHBondContact O-N 2.67Å; F166-S169 PolarHBondContact O-OG 2.59Å |
Retrieved 169 of 169 residues in 164.4 ms
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