| 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 | T | 77.4 | Confident | 92 | Very high | 130 Ų | 130 | 61.2 Ų | 61.2 | 80% | 0.798 | 35% | 0.346 | S | S | * | . | 0 | -52 | 0 | 47.7 | 0 | 0 | 0 | 0 | 111.9 | F3 A4 G5 A28 | T1-F3 VanDerWaalsContact C-N 3.33Å; T1-F3 PolarHBondContact O-N 3.03Å; T1-A4 PolarHBondContact O-N 3.35Å; T1-A4 VanDerWaalsContact O-N 3.11Å; T1-G5 PolarHBondContact O-N 3Å; T1-A28 VanDerWaalsContact OG1-CB 3.27Å; T1-A28 WeakPolarHBondContact OG1-CB 3.2Å | |||
| 2 | I | 88.5 | Confident | 92.1 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.5 | -45.9 | 177 | -51.9 | 170.9 | 0 | 0 | 0 | 112 | A4 G5 T6 N25 A28 F29 V32 W122 | I2-A4 PolarHBondContact O-N 3.3Å; I2-G5 PolarHBondContact O-N 2.98Å; I2-T6 PolarHBondContact O-N 3.49Å; I2-T6 PolarHBondContact O-OG1 3.27Å; I2-N25 PolarHBondContact O-OD1 3.03Å; I2-A28 HydrophobicContact CG1-CB 3.66Å; I2-F29 HydrophobicContact CD1-CD2 4.07Å; I2-V32 HydrophobicContact CD1-CG2 3.99Å; I2-W122 VanDerWaalsContact CG2-CD1 3.43Å |
| 3 | F | 92.6 | Very high | 92.1 | Very high | 131 Ų | 131 | 59.5 Ų | 59.5 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 177 | -179.5 | -96.8 | 0 | 0 | 0 | 112.8 | T1 G5 T6 L7 W122 | T1-F3 VanDerWaalsContact C-N 3.33Å; T1-F3 PolarHBondContact O-N 3.03Å; F3-G5 PolarHBondContact O-N 3.41Å; F3-T6 PolarHBondContact O-N 2.65Å; F3-T6 PolarHBondContact O-OG1 3.31Å; F3-L7 HydrophobicContact CE1-CD2 4.18Å; F3-L7 WeakPolarHBondContact O-CB 3.44Å; F3-L7 PolarHBondContact O-N 3.05Å; F3-W122 HydrophobicContact CB-CZ2 4.48Å; F3-W122 AromaticContact CD2-CH2 3.76Å; F3-W122 HydrophobicContact CD2-CH2 3.76Å; F3-W122 AromaticContact CD2-CZ2 3.65Å; F3-W122 HydrophobicContact CD2-CZ2 3.65Å; F3-W122 HydrophobicContact CE2-CH2 4.19Å; F3-W122 HydrophobicContact CE2-CZ2 4.4Å |
| 4 | A | 93.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1 I2 L7 I8 | T1-A4 PolarHBondContact O-N 3.35Å; T1-A4 VanDerWaalsContact O-N 3.11Å; I2-A4 PolarHBondContact O-N 3.3Å; A4-L7 PolarHBondContact O-N 3.49Å; A4-I8 WeakPolarHBondContact O-CB 3.47Å; A4-I8 WeakPolarHBondContact O-CD1 3.44Å; A4-I8 WeakPolarHBondContact O-CG1 3.43Å; A4-I8 PolarHBondContact O-N 3.2Å |
| 5 | G | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T1 I2 F3 L7 I8 T9 G21 N25 | T1-G5 PolarHBondContact O-N 3Å; I2-G5 PolarHBondContact O-N 2.98Å; F3-G5 PolarHBondContact O-N 3.41Å; G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 3.5Å; G5-I8 PolarHBondContact O-N 2.88Å; G5-T9 WeakPolarHBondContact O-CG2 3.46Å; G5-T9 PolarHBondContact O-N 3.44Å; G5-T9 VanDerWaalsContact O-N 3.13Å; G5-G21 WeakPolarHBondContact O-CA 3.38Å; G5-N25 VanDerWaalsContact CA-OD1 3.25Å; G5-N25 WeakPolarHBondContact CA-OD1 3.5Å |
| 6 | T | 93.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -34.4 | 174.5 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | I2 F3 T9 A10 N25 W122 A126 | I2-T6 PolarHBondContact O-N 3.49Å; I2-T6 PolarHBondContact O-OG1 3.27Å; F3-T6 PolarHBondContact O-N 2.65Å; F3-T6 PolarHBondContact O-OG1 3.31Å; T6-T9 PolarHBondContact O-OG1 2.87Å; T6-A10 PolarHBondContact O-N 3Å; T6-N25 VanDerWaalsContact CG2-ND2 3.27Å; T6-N25 WeakPolarHBondContact CG2-ND2 3.44Å; T6-N25 PolarHBondContact N-ND2 3.04Å; T6-N25 PolarHBondContact N-OD1 2.98Å; T6-W122 VanDerWaalsContact CG2-NE1 3.3Å; T6-W122 PolarHBondContact OG1-NE1 3.23Å; T6-A126 HydrophobicContact CG2-CB 4.11Å |
| 7 | L | 95.4 | Very high | 92.9 | Very high | 76 Ų | 76 | 61.2 Ų | 61.2 | 40% | 0.398 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 178.5 | -173.7 | 66.7 | 0 | 0 | 0 | 111.1 | F3 A4 G5 T9 A10 L11 | F3-L7 HydrophobicContact CE1-CD2 4.18Å; F3-L7 WeakPolarHBondContact O-CB 3.44Å; F3-L7 PolarHBondContact O-N 3.05Å; A4-L7 PolarHBondContact O-N 3.49Å; G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 3.5Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 2.96Å; L7-A10 PolarHBondContact O-N 2.79Å; L7-A10 VanDerWaalsContact O-N 3.15Å; L7-L11 HydrophobicContact CD1-CD1 3.95Å; L7-L11 HydrophobicContact CD1-CG 4.17Å; L7-L11 HydrophobicContact CD2-CD1 4.22Å; L7-L11 HydrophobicContact CG-CD1 3.71Å; L7-L11 HydrophobicContact CG-CG 4.26Å; L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.87Å |
| 8 | I | 95.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 32% | 0.323 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.9 | -72.9 | 165.9 | 0 | 0 | 0 | 110.7 | A4 G5 A10 S12 M24 | A4-I8 WeakPolarHBondContact O-CB 3.47Å; A4-I8 WeakPolarHBondContact O-CD1 3.44Å; A4-I8 WeakPolarHBondContact O-CG1 3.43Å; A4-I8 PolarHBondContact O-N 3.2Å; G5-I8 PolarHBondContact O-N 2.88Å; I8-A10 VanDerWaalsContact C-N 3.31Å; I8-A10 PolarHBondContact O-N 3.24Å; I8-S12 WeakPolarHBondContact O-CB 3.43Å; I8-S12 PolarHBondContact O-N 3.43Å; I8-S12 PolarHBondContact O-OG 2.8Å; I8-M24 HydrophobicContact CB-CE 4.43Å; I8-M24 HydrophobicContact CD1-CE 3.32Å; I8-M24 HydrophobicContact CG1-CE 4.44Å; I8-M24 HydrophobicContact CG2-CE 4.43Å |
| 9 | T | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 174.4 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | G5 T6 L7 S12 T18 L22 A126 | G5-T9 WeakPolarHBondContact O-CG2 3.46Å; G5-T9 PolarHBondContact O-N 3.44Å; G5-T9 VanDerWaalsContact O-N 3.13Å; T6-T9 PolarHBondContact O-OG1 2.87Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 2.96Å; T9-S12 PolarHBondContact O-OG 3.28Å; T9-T18 WeakPolarHBondContact CG2-O 3.43Å; T9-L22 HydrophobicContact CG2-CD2 4.22Å; T9-L22 HydrophobicContact CG2-CG 4.02Å; T9-A126 HydrophobicContact CG2-CB 4.1Å; T9-A126 VanDerWaalsContact OG1-CB 3.28Å; T9-A126 WeakPolarHBondContact OG1-CB 3.18Å |
| 10 | A | 93.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.5 | -36.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T6 L7 I8 | T6-A10 PolarHBondContact O-N 3Å; L7-A10 PolarHBondContact O-N 2.79Å; L7-A10 VanDerWaalsContact O-N 3.15Å; I8-A10 VanDerWaalsContact C-N 3.31Å; I8-A10 PolarHBondContact O-N 3.24Å |
| 11 | L | 94.1 | Very high | 93.6 | Very high | 135 Ų | 135 | 53.7 Ų | 53.7 | 71% | 0.707 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -85.7 | -18.6 | -176.8 | -67.5 | 176.9 | 0 | 0 | 0 | 113.9 | L7 | L7-L11 HydrophobicContact CD1-CD1 3.95Å; L7-L11 HydrophobicContact CD1-CG 4.17Å; L7-L11 HydrophobicContact CD2-CD1 4.22Å; L7-L11 HydrophobicContact CG-CD1 3.71Å; L7-L11 HydrophobicContact CG-CG 4.26Å; L7-L11 WeakPolarHBondContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.87Å |
| 12 | S | 93.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | trans | -76.6 | 136.3 | -173.6 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | I8 T9 T18 | I8-S12 WeakPolarHBondContact O-CB 3.43Å; I8-S12 PolarHBondContact O-N 3.43Å; I8-S12 PolarHBondContact O-OG 2.8Å; T9-S12 PolarHBondContact O-OG 3.28Å; S12-T18 WeakPolarHBondContact OG-CG2 3.21Å; S12-T18 PolarHBondContact OG-N 3.44Å | ||
| 13 | S | 92.4 | Very high | 94.9 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 60% | 0.601 | 25% | 0.254 | S | S | * | . | trans | -100 | -12.8 | 169.8 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | T74 M75 | S13-T74 CarbonylContact O-C 3.58Å; S13-T74 VanDerWaalsContact O-CA 3.32Å; S13-T74 WeakPolarHBondContact O-CA 3.35Å; S13-M75 WeakPolarHBondContact O-CG 3.48Å; S13-M75 PolarHBondContact O-N 3.47Å | ||
| 14 | H | 95.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -104.5 | 130.5 | -178.4 | -169.9 | -74.6 | 0 | 0 | 0 | 110.4 | F16 F17 T18 W73 | H14-F16 VanDerWaalsContact ND1-CB 3.32Å; H14-F16 WeakPolarHBondContact ND1-CB 3.19Å; H14-F16 PolarHBondContact ND1-N 3.08Å; H14-F16 VanDerWaalsContact ND1-N 3.12Å; H14-F16 PolarHBondContact O-N 3.48Å; H14-F16 VanDerWaalsContact O-N 3.16Å; H14-F17 HydrophobicContact CB-CD2 3.93Å; H14-F17 PolarHBondContact O-N 2.98Å; H14-T18 PolarHBondContact O-N 3.32Å; H14-W73 AromaticContact CE1-CD2 3.8Å; H14-W73 AromaticContact CE1-CE3 3.39Å; H14-W73 VanDerWaalsContact NE2-CB 3.3Å; H14-W73 WeakPolarHBondContact NE2-CB 3.35Å; H14-W73 AromaticContact NE2-CD2 3.85Å; H14-W73 AromaticContact NE2-CE3 3.92Å; H14-W73 AromaticContact NE2-CG 3.64Å |
| 15 | W | 94.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.2 | -35.6 | -176.8 | -85.4 | 107.7 | 0 | 0 | 0 | 114 | F17 T18 W19 I63 W73 T74 M75 T79 I87 I130 I134 | W15-F17 PolarHBondContact O-N 3.28Å; W15-T18 PolarHBondContact O-N 3.37Å; W15-T18 PolarHBondContact O-OG1 2.97Å; W15-W19 PolarHBondContact O-N 2.81Å; W15-W19 VanDerWaalsContact O-N 3.12Å; W15-I63 HydrophobicContact CB-CB 4.36Å; W15-I63 HydrophobicContact CB-CD1 3.91Å; W15-I63 HydrophobicContact CB-CG1 3.86Å; W15-I63 HydrophobicContact CB-CG2 3.57Å; W15-I63 HydrophobicContact CD2-CD1 4.4Å; W15-I63 HydrophobicContact CD2-CG1 3.9Å; W15-I63 HydrophobicContact CE3-CD1 3.85Å; W15-I63 HydrophobicContact CE3-CG1 3.62Å; W15-I63 HydrophobicContact CG-CD1 4.49Å; W15-I63 HydrophobicContact CG-CG1 4.05Å; W15-I63 HydrophobicContact CG-CG2 4.2Å; W15-I63 HydrophobicContact CZ3-CG1 4.45Å; W15-W73 VanDerWaalsContact CD1-O 3.3Å; W15-W73 PolarHBondContact N-O 3.02Å; W15-T74 PolarHBondContact NE1-O 3.11Å; W15-M75 HydrophobicContact CD2-CE 4.43Å; W15-M75 HydrophobicContact CD2-SD 3.17Å; W15-M75 HydrophobicContact CE3-CE 4.27Å; W15-M75 HydrophobicContact CE3-SD 3.4Å; W15-M75 HydrophobicContact CG-SD 3.77Å; W15-M75 HydrophobicContact CH2-CE 3.59Å; W15-M75 HydrophobicContact CH2-SD 3.61Å; W15-M75 HydrophobicContact CZ2-CE 3.77Å; W15-M75 HydrophobicContact CZ2-SD 3.39Å; W15-M75 WeakPolarHBondContact CZ2-SD 3.46Å; W15-M75 HydrophobicContact CZ3-CE 3.87Å; W15-M75 HydrophobicContact CZ3-SD 3.62Å; W15-T79 HydrophobicContact CZ2-CG2 3.88Å; W15-I87 HydrophobicContact CH2-CD1 3.52Å; W15-I87 HydrophobicContact CH2-CG1 4.3Å; W15-I87 HydrophobicContact CH2-CG2 4.42Å; W15-I87 HydrophobicContact CZ2-CD1 3.95Å; W15-I87 HydrophobicContact CZ3-CD1 4.12Å; W15-I130 HydrophobicContact CH2-CG2 4.4Å; W15-I130 HydrophobicContact CZ3-CG2 4.2Å; W15-I134 HydrophobicContact CH2-CD1 4.4Å; W15-I134 HydrophobicContact CH2-CG2 3.71Å; W15-I134 HydrophobicContact CZ2-CG2 3.74Å |
| 16 | F | 95.5 | Very high | 95.3 | Very high | 89 Ų | 89 | 43 Ų | 43 | 39% | 0.39 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 175.8 | -174 | -104.9 | 0 | 0 | 0 | 112.8 | H14 W19 V20 | H14-F16 VanDerWaalsContact ND1-CB 3.32Å; H14-F16 WeakPolarHBondContact ND1-CB 3.19Å; H14-F16 PolarHBondContact ND1-N 3.08Å; H14-F16 VanDerWaalsContact ND1-N 3.12Å; H14-F16 PolarHBondContact O-N 3.48Å; H14-F16 VanDerWaalsContact O-N 3.16Å; F16-W19 HydrophobicContact CD2-CE3 4.42Å; F16-W19 HydrophobicContact CE2-CE3 4.05Å; F16-W19 HydrophobicContact CE2-CZ3 4.14Å; F16-W19 HydrophobicContact CZ-CZ3 4.39Å; F16-W19 WeakPolarHBondContact O-CB 3.47Å; F16-W19 PolarHBondContact O-N 3.02Å; F16-V20 HydrophobicContact CD1-CG2 4.03Å; F16-V20 HydrophobicContact CE1-CG2 3.66Å; F16-V20 HydrophobicContact CZ-CG2 3.95Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 2.95Å |
| 17 | F | 96.2 | Very high | 95.4 | Very high | 116 Ų | 116 | 47 Ų | 47 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.8 | -31.4 | -180 | -69.8 | -50.3 | 0 | 0 | 0 | 112.4 | H14 W15 W19 V20 G21 | H14-F17 HydrophobicContact CB-CD2 3.93Å; H14-F17 PolarHBondContact O-N 2.98Å; W15-F17 PolarHBondContact O-N 3.28Å; F17-W19 VanDerWaalsContact C-N 3.31Å; F17-V20 PolarHBondContact O-N 3.11Å; F17-G21 PolarHBondContact O-N 3.29Å |
| 18 | T | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 171 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | T9 S12 H14 W15 G21 L22 M75 | T9-T18 WeakPolarHBondContact CG2-O 3.43Å; S12-T18 WeakPolarHBondContact OG-CG2 3.21Å; S12-T18 PolarHBondContact OG-N 3.44Å; H14-T18 PolarHBondContact O-N 3.32Å; W15-T18 PolarHBondContact O-N 3.37Å; W15-T18 PolarHBondContact O-OG1 2.97Å; T18-G21 PolarHBondContact O-N 3.02Å; T18-L22 WeakPolarHBondContact O-CG 3.39Å; T18-L22 PolarHBondContact O-N 3.07Å; T18-M75 HydrophobicContact CG2-CG 4.21Å; T18-M75 HydrophobicContact CG2-SD 4.06Å |
| 19 | W | 97.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 173.7 | 177.4 | 86.5 | 0 | 0 | 0 | 112.4 | W15 F16 F17 G21 L22 E23 S56 L59 L60 I63 | W15-W19 PolarHBondContact O-N 2.81Å; W15-W19 VanDerWaalsContact O-N 3.12Å; F16-W19 HydrophobicContact CD2-CE3 4.42Å; F16-W19 HydrophobicContact CE2-CE3 4.05Å; F16-W19 HydrophobicContact CE2-CZ3 4.14Å; F16-W19 HydrophobicContact CZ-CZ3 4.39Å; F16-W19 WeakPolarHBondContact O-CB 3.47Å; F16-W19 PolarHBondContact O-N 3.02Å; F17-W19 VanDerWaalsContact C-N 3.31Å; W19-G21 VanDerWaalsContact C-N 3.3Å; W19-G21 PolarHBondContact O-N 2.92Å; W19-L22 WeakPolarHBondContact O-CB 3.36Å; W19-L22 PolarHBondContact O-N 2.94Å; W19-L22 VanDerWaalsContact O-N 3.11Å; W19-E23 HydrophobicContact CD2-CG 4.05Å; W19-E23 HydrophobicContact CE3-CG 4.37Å; W19-E23 HydrophobicContact CH2-CG 3.89Å; W19-E23 HydrophobicContact CZ2-CG 3.53Å; W19-E23 HydrophobicContact CZ3-CG 4.3Å; W19-E23 PolarHBondContact O-N 3.19Å; W19-S56 PolarHBondContact NE1-O 2.92Å; W19-L59 HydrophobicContact CB-CD2 3.76Å; W19-L59 HydrophobicContact CG-CD2 4.06Å; W19-L60 HydrophobicContact CD2-CD1 4.12Å; W19-L60 HydrophobicContact CG-CD1 4.25Å; W19-I63 HydrophobicContact CB-CD1 4.2Å |
| 20 | V | 97 | Very high | 95.5 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | F16 F17 L22 E23 M24 | F16-V20 HydrophobicContact CD1-CG2 4.03Å; F16-V20 HydrophobicContact CE1-CG2 3.66Å; F16-V20 HydrophobicContact CZ-CG2 3.95Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 2.95Å; F17-V20 PolarHBondContact O-N 3.11Å; V20-L22 VanDerWaalsContact C-N 3.35Å; V20-L22 PolarHBondContact O-N 3.4Å; V20-E23 PolarHBondContact O-N 3.17Å; V20-M24 HydrophobicContact CG1-CE 3.79Å; V20-M24 PolarHBondContact O-N 3.12Å |
| 21 | G | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G5 F17 T18 W19 N25 | G5-G21 WeakPolarHBondContact O-CA 3.38Å; F17-G21 PolarHBondContact O-N 3.29Å; T18-G21 PolarHBondContact O-N 3.02Å; W19-G21 VanDerWaalsContact C-N 3.3Å; W19-G21 PolarHBondContact O-N 2.92Å; G21-N25 PolarHBondContact O-N 3.04Å; G21-N25 VanDerWaalsContact O-N 3.11Å; G21-N25 PolarHBondContact O-ND2 3.44Å |
| 22 | L | 96.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 175 | -70.2 | 174.3 | 0 | 0 | 0 | 112.5 | T9 T18 W19 V20 N25 M26 L59 M91 K94 A126 P127 I130 | T9-L22 HydrophobicContact CG2-CD2 4.22Å; T9-L22 HydrophobicContact CG2-CG 4.02Å; T18-L22 WeakPolarHBondContact O-CG 3.39Å; T18-L22 PolarHBondContact O-N 3.07Å; W19-L22 WeakPolarHBondContact O-CB 3.36Å; W19-L22 PolarHBondContact O-N 2.94Å; W19-L22 VanDerWaalsContact O-N 3.11Å; V20-L22 VanDerWaalsContact C-N 3.35Å; V20-L22 PolarHBondContact O-N 3.4Å; L22-N25 PolarHBondContact O-N 2.79Å; L22-M26 PolarHBondContact O-N 3.42Å; L22-L59 HydrophobicContact CD1-CD1 3.91Å; L22-L59 HydrophobicContact CD1-CD2 4.41Å; L22-M91 HydrophobicContact CD1-CE 4.37Å; L22-K94 HydrophobicContact CD1-CD 4.17Å; L22-K94 HydrophobicContact CD2-CD 4.19Å; L22-A126 HydrophobicContact CD2-CB 3.91Å; L22-P127 HydrophobicContact CD2-CG 4.48Å; L22-I130 HydrophobicContact CD1-CD1 3.64Å; L22-I130 HydrophobicContact CD2-CD1 4.21Å; L22-I130 HydrophobicContact CG-CD1 4.02Å |
| 23 | E | 97.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -43.1 | 176.9 | -77.6 | -62 | 165 | 0 | 0 | 112.3 | W19 V20 N25 M26 L27 S56 | W19-E23 HydrophobicContact CD2-CG 4.05Å; W19-E23 HydrophobicContact CE3-CG 4.37Å; W19-E23 HydrophobicContact CH2-CG 3.89Å; W19-E23 HydrophobicContact CZ2-CG 3.53Å; W19-E23 HydrophobicContact CZ3-CG 4.3Å; W19-E23 PolarHBondContact O-N 3.19Å; V20-E23 PolarHBondContact O-N 3.17Å; E23-N25 VanDerWaalsContact C-N 3.29Å; E23-N25 PolarHBondContact O-N 3.02Å; E23-M26 PolarHBondContact O-N 3.48Å; E23-M26 VanDerWaalsContact O-N 3.15Å; E23-L27 PolarHBondContact O-N 3.02Å; E23-S56 WeakPolarHBondContact OE1-CB 3.46Å; E23-S56 PolarHBondContact OE1-OG 2.66Å |
| 24 | M | 95.9 | Very high | 95.6 | Very high | 66 Ų | 66 | 36.1 Ų | 36.1 | 33% | 0.325 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.1 | -39.2 | 174.6 | -77.1 | -170.2 | -67 | 0 | 0 | 112.2 | I8 V20 A28 | I8-M24 HydrophobicContact CB-CE 4.43Å; I8-M24 HydrophobicContact CD1-CE 3.32Å; I8-M24 HydrophobicContact CG1-CE 4.44Å; I8-M24 HydrophobicContact CG2-CE 4.43Å; V20-M24 HydrophobicContact CG1-CE 3.79Å; V20-M24 PolarHBondContact O-N 3.12Å; M24-A28 WeakPolarHBondContact O-CB 3.37Å; M24-A28 PolarHBondContact O-N 3.16Å |
| 25 | N | 95.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.2 | -77.8 | -20.3 | 0 | 0 | 0 | 111.8 | I2 G5 T6 G21 L22 E23 F29 | I2-N25 PolarHBondContact O-OD1 3.03Å; G5-N25 VanDerWaalsContact CA-OD1 3.25Å; G5-N25 WeakPolarHBondContact CA-OD1 3.5Å; T6-N25 VanDerWaalsContact CG2-ND2 3.27Å; T6-N25 WeakPolarHBondContact CG2-ND2 3.44Å; T6-N25 PolarHBondContact N-ND2 3.04Å; T6-N25 PolarHBondContact N-OD1 2.98Å; G21-N25 PolarHBondContact O-N 3.04Å; G21-N25 VanDerWaalsContact O-N 3.11Å; G21-N25 PolarHBondContact O-ND2 3.44Å; L22-N25 PolarHBondContact O-N 2.79Å; E23-N25 VanDerWaalsContact C-N 3.29Å; E23-N25 PolarHBondContact O-N 3.02Å; N25-F29 WeakPolarHBondContact O-CB 3.29Å; N25-F29 PolarHBondContact O-N 3.07Å; N25-F29 VanDerWaalsContact O-N 3.14Å |
| 26 | M | 96.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -56 | -179.6 | -176 | -88.4 | -130.1 | 0 | 0 | 111 | L22 E23 A28 F29 I30 Y48 F49 Q52 A53 | L22-M26 PolarHBondContact O-N 3.42Å; E23-M26 PolarHBondContact O-N 3.48Å; E23-M26 VanDerWaalsContact O-N 3.15Å; M26-A28 PolarHBondContact O-N 2.91Å; M26-F29 PolarHBondContact O-N 2.94Å; M26-F29 VanDerWaalsContact O-N 3.15Å; M26-I30 WeakPolarHBondContact O-CG1 3.39Å; M26-I30 PolarHBondContact O-N 3.35Å; M26-I30 HydrophobicContact SD-CD1 3.81Å; M26-Y48 HydrophobicContact CG-CE1 4.37Å; M26-F49 HydrophobicContact CE-CD2 3.3Å; M26-F49 HydrophobicContact CE-CE2 3.38Å; M26-F49 HydrophobicContact CE-CG 4.27Å; M26-F49 HydrophobicContact CE-CZ 4.38Å; M26-F49 HydrophobicContact SD-CD2 3.78Å; M26-F49 HydrophobicContact SD-CE2 4.04Å; M26-Q52 HydrophobicContact CE-CB 4.44Å; M26-Q52 HydrophobicContact CG-CB 3.69Å; M26-A53 HydrophobicContact CE-CB 3.69Å |
| 27 | L | 96.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 48.6 Ų | 48.6 | 52% | 0.524 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.7 | -40.5 | -177.7 | -66.9 | 174.4 | 0 | 0 | 0 | 112.5 | E23 F29 I30 P31 | E23-L27 PolarHBondContact O-N 3.02Å; L27-F29 PolarHBondContact O-N 3.15Å; L27-I30 HydrophobicContact CD2-CD1 4.37Å; L27-P31 VanDerWaalsContact O-CD 3.31Å; L27-P31 WeakPolarHBondContact O-CD 3.38Å |
| 28 | A | 95.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -22.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1 I2 M24 M26 | T1-A28 VanDerWaalsContact OG1-CB 3.27Å; T1-A28 WeakPolarHBondContact OG1-CB 3.2Å; I2-A28 HydrophobicContact CG1-CB 3.66Å; M24-A28 WeakPolarHBondContact O-CB 3.37Å; M24-A28 PolarHBondContact O-N 3.16Å; M26-A28 PolarHBondContact O-N 2.91Å |
| 29 | F | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -88.5 | -24.5 | -177.5 | -168 | -108.8 | 0 | 0 | 0 | 113.4 | I2 N25 M26 L27 V32 L33 Y48 L118 L119 Q123 | I2-F29 HydrophobicContact CD1-CD2 4.07Å; N25-F29 WeakPolarHBondContact O-CB 3.29Å; N25-F29 PolarHBondContact O-N 3.07Å; N25-F29 VanDerWaalsContact O-N 3.14Å; M26-F29 PolarHBondContact O-N 2.94Å; M26-F29 VanDerWaalsContact O-N 3.15Å; L27-F29 PolarHBondContact O-N 3.15Å; F29-V32 HydrophobicContact CD2-CB 4.18Å; F29-V32 HydrophobicContact CD2-CG1 4.44Å; F29-V32 HydrophobicContact CD2-CG2 4.47Å; F29-V32 HydrophobicContact CE2-CB 4.32Å; F29-V32 HydrophobicContact CE2-CG1 4.12Å; F29-V32 WeakPolarHBondContact O-CA 3.17Å; F29-V32 VanDerWaalsContact O-CB 3.29Å; F29-V32 WeakPolarHBondContact O-CB 3.48Å; F29-V32 PolarHBondContact O-N 3.27Å; F29-L33 HydrophobicContact CD1-CD1 3.97Å; F29-L33 HydrophobicContact CD1-CD2 4.36Å; F29-L33 HydrophobicContact CD1-CG 4.04Å; F29-L33 HydrophobicContact CE1-CD1 3.97Å; F29-L33 HydrophobicContact CE1-CD2 3.61Å; F29-L33 HydrophobicContact CE1-CG 3.79Å; F29-L33 HydrophobicContact CZ-CD2 4.08Å; F29-L33 PolarHBondContact O-N 3.43Å; F29-Y48 AromaticContact CD1-CE1 3.8Å; F29-Y48 HydrophobicContact CD1-CE1 3.8Å; F29-Y48 HydrophobicContact CD1-CE2 4.19Å; F29-Y48 AromaticContact CD1-CZ 3.61Å; F29-Y48 HydrophobicContact CE1-CE2 4.38Å; F29-L118 HydrophobicContact CE2-CB 3.72Å; F29-L118 HydrophobicContact CZ-CB 4.25Å; F29-L119 HydrophobicContact CD1-CD1 4.44Å; F29-L119 HydrophobicContact CE1-CB 4.19Å; F29-L119 HydrophobicContact CE1-CD1 3.46Å; F29-L119 VanDerWaalsContact CE1-CD1 3.46Å; F29-L119 HydrophobicContact CE1-CG 4.47Å; F29-L119 HydrophobicContact CZ-CB 3.88Å; F29-L119 HydrophobicContact CZ-CD1 4.03Å; F29-Q123 HydrophobicContact CD1-CG 4.31Å; F29-Q123 HydrophobicContact CD2-CG 4.48Å; F29-Q123 HydrophobicContact CE1-CG 4.18Å; F29-Q123 HydrophobicContact CE2-CG 4.37Å; F29-Q123 HydrophobicContact CG-CG 4.45Å; F29-Q123 HydrophobicContact CZ-CG 4.22Å |
| 30 | I | 96.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.5 | -48.2 | 178.5 | -65.1 | 162.2 | 0 | 0 | 0 | 112.5 | M26 L27 V32 L33 T34 Y48 F49 | M26-I30 WeakPolarHBondContact O-CG1 3.39Å; M26-I30 PolarHBondContact O-N 3.35Å; M26-I30 HydrophobicContact SD-CD1 3.81Å; L27-I30 HydrophobicContact CD2-CD1 4.37Å; I30-V32 PolarHBondContact O-N 2.86Å; I30-L33 WeakPolarHBondContact O-CB 3.28Å; I30-L33 PolarHBondContact O-N 3.4Å; I30-T34 PolarHBondContact O-N 2.79Å; I30-Y48 HydrophobicContact CG1-CD1 4.46Å; I30-F49 HydrophobicContact CD1-CB 4.48Å; I30-F49 HydrophobicContact CD1-CD2 3.56Å; I30-F49 HydrophobicContact CD1-CE2 4.25Å; I30-F49 HydrophobicContact CD1-CG 4.42Å |
| 31 | P | 93.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -24.6 | 178.2 | -22.5 | 34.7 | 0 | 0 | 0 | 113.6 | L27 L33 T34 | L27-P31 VanDerWaalsContact O-CD 3.31Å; L27-P31 WeakPolarHBondContact O-CD 3.38Å; P31-L33 VanDerWaalsContact C-N 3.29Å; P31-T34 PolarHBondContact O-N 3.13Å; P31-T34 PolarHBondContact O-OG1 3.45Å |
| 32 | V | 94.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 57 Ų | 57 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.9 | -31.1 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | I2 F29 I30 K35 S115 L118 | I2-V32 HydrophobicContact CD1-CG2 3.99Å; F29-V32 HydrophobicContact CD2-CB 4.18Å; F29-V32 HydrophobicContact CD2-CG1 4.44Å; F29-V32 HydrophobicContact CD2-CG2 4.47Å; F29-V32 HydrophobicContact CE2-CB 4.32Å; F29-V32 HydrophobicContact CE2-CG1 4.12Å; F29-V32 WeakPolarHBondContact O-CA 3.17Å; F29-V32 VanDerWaalsContact O-CB 3.29Å; F29-V32 WeakPolarHBondContact O-CB 3.48Å; F29-V32 PolarHBondContact O-N 3.27Å; I30-V32 PolarHBondContact O-N 2.86Å; V32-K35 WeakPolarHBondContact O-CG 3.47Å; V32-S115 WeakPolarHBondContact O-CB 3.33Å; V32-L118 HydrophobicContact CG1-CD1 4.05Å |
| 33 | L | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.1 | -30 | 177.4 | -62.9 | 170.2 | 0 | 0 | 0 | 112.5 | F29 I30 P31 S41 A45 Y48 V107 T111 | F29-L33 HydrophobicContact CD1-CD1 3.97Å; F29-L33 HydrophobicContact CD1-CD2 4.36Å; F29-L33 HydrophobicContact CD1-CG 4.04Å; F29-L33 HydrophobicContact CE1-CD1 3.97Å; F29-L33 HydrophobicContact CE1-CD2 3.61Å; F29-L33 HydrophobicContact CE1-CG 3.79Å; F29-L33 HydrophobicContact CZ-CD2 4.08Å; F29-L33 PolarHBondContact O-N 3.43Å; I30-L33 WeakPolarHBondContact O-CB 3.28Å; I30-L33 PolarHBondContact O-N 3.4Å; P31-L33 VanDerWaalsContact C-N 3.29Å; L33-S41 PolarHBondContact O-OG 3.25Å; L33-A45 HydrophobicContact CB-CB 4.12Å; L33-Y48 HydrophobicContact CD1-CD1 3.65Å; L33-Y48 HydrophobicContact CD1-CD2 4.33Å; L33-Y48 HydrophobicContact CD1-CE1 4.31Å; L33-Y48 HydrophobicContact CD1-CG 3.65Å; L33-V107 HydrophobicContact CD1-CG1 4.45Å; L33-V107 HydrophobicContact CD2-CG1 4.02Å; L33-T111 HydrophobicContact CB-CG2 4.11Å; L33-T111 HydrophobicContact CD2-CG2 3.72Å |
| 34 | T | 93.3 | Very high | 93.3 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8.8 | -175.4 | 56 | 0 | 0 | 0 | 0 | 115.2 | I30 P31 K36 M37 S41 T42 A45 | I30-T34 PolarHBondContact O-N 2.79Å; P31-T34 PolarHBondContact O-N 3.13Å; P31-T34 PolarHBondContact O-OG1 3.45Å; T34-K36 VanDerWaalsContact C-N 3.28Å; T34-K36 PolarHBondContact O-N 3.07Å; T34-M37 PolarHBondContact O-N 2.83Å; T34-M37 VanDerWaalsContact O-SD 3.36Å; T34-S41 WeakPolarHBondContact CA-OG 3.21Å; T34-T42 HydrophobicContact CG2-CG2 4.5Å; T34-A45 HydrophobicContact CG2-CB 3.54Å |
| 35 | K | 83.8 | Confident | 93.3 | Very high | 123 Ų | 123 | 57.3 Ų | 57.3 | 54% | 0.535 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -38.4 | -173.1 | -80.3 | -178.9 | 179.3 | -178.4 | 0 | 116.6 | V32 | V32-K35 WeakPolarHBondContact O-CG 3.47Š|
| 36 | K | 81.7 | Confident | 93.4 | Very high | 140 Ų | 140 | 62 Ų | 62 | 61% | 0.609 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -3.1 | -176.2 | -71.7 | -169.2 | 175 | -173.9 | 0 | 113.9 | T34 N38 | T34-K36 VanDerWaalsContact C-N 3.28Å; T34-K36 PolarHBondContact O-N 3.07Å; K36-N38 PolarHBondContact O-N 3.26Å; K36-N38 VanDerWaalsContact O-N 3.08Å; K36-N38 PolarHBondContact O-OD1 3.43Å |
| 37 | M | 86.6 | Confident | 93.5 | Very high | 150 Ų | 150 | 64.4 Ų | 64.4 | 74% | 0.739 | 33% | 0.33 | S | S | * | . | trans | 52.1 | 27.9 | -179.5 | -54.2 | -62.6 | -87.6 | 0 | 0 | 114.8 | T34 | T34-M37 PolarHBondContact O-N 2.83Å; T34-M37 VanDerWaalsContact O-SD 3.36Å | ||
| 38 | N | 92.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 59.7 Ų | 59.7 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | trans | -81 | 148 | 174.5 | -68.4 | -14.5 | 0 | 0 | 0 | 110.2 | K36 R40 S41 T42 | K36-N38 PolarHBondContact O-N 3.26Å; K36-N38 VanDerWaalsContact O-N 3.08Å; K36-N38 PolarHBondContact O-OD1 3.43Å; N38-R40 PolarHBondContact O-N 3.34Å; N38-R40 VanDerWaalsContact O-N 3.16Å; N38-S41 WeakPolarHBondContact O-CA 3.21Å; N38-S41 WeakPolarHBondContact O-CB 3.28Å; N38-S41 PolarHBondContact O-N 3.14Å; N38-T42 PolarHBondContact O-N 3.35Å | ||
| 39 | P | 93.4 | Very high | 93.6 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58 | -35.2 | 179.3 | 23 | -33.8 | 0 | 0 | 0 | 112.6 | S41 T42 E43 | P39-S41 VanDerWaalsContact C-N 3.34Å; P39-S41 PolarHBondContact O-N 3.31Å; P39-T42 WeakPolarHBondContact CA-OG1 3.37Å; P39-T42 PolarHBondContact O-N 3.15Å; P39-T42 PolarHBondContact O-OG1 3.18Å; P39-E43 PolarHBondContact O-N 3.19Å |
| 40 | R | 93.9 | Very high | 93.7 | Very high | 127 Ų | 127 | 67.7 Ų | 67.7 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 175.4 | -166.2 | -179.8 | -172.4 | 161.7 | 10.5 | 113.1 | N38 A44 Q109 | N38-R40 PolarHBondContact O-N 3.34Å; N38-R40 VanDerWaalsContact O-N 3.16Å; R40-A44 WeakPolarHBondContact O-CB 3.21Å; R40-A44 PolarHBondContact O-N 3.44Å; R40-Q109 VanDerWaalsContact NH2-NE2 3.13Å |
| 41 | S | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.9 | -34.4 | 179 | 160.9 | 0 | 0 | 0 | 0 | 110.8 | L33 T34 N38 P39 A45 G110 | L33-S41 PolarHBondContact O-OG 3.25Å; T34-S41 WeakPolarHBondContact CA-OG 3.21Å; N38-S41 WeakPolarHBondContact O-CA 3.21Å; N38-S41 WeakPolarHBondContact O-CB 3.28Å; N38-S41 PolarHBondContact O-N 3.14Å; P39-S41 VanDerWaalsContact C-N 3.34Å; P39-S41 PolarHBondContact O-N 3.31Å; S41-A45 PolarHBondContact O-N 3Å; S41-A45 VanDerWaalsContact O-N 3.09Å; S41-G110 WeakPolarHBondContact CA-O 3.36Å; S41-G110 WeakPolarHBondContact CB-O 3.27Å |
| 42 | T | 94.9 | Very high | 94 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.3 | -40.4 | 172.6 | 59 | 0 | 0 | 0 | 0 | 112.1 | T34 N38 P39 A45 I46 | T34-T42 HydrophobicContact CG2-CG2 4.5Å; N38-T42 PolarHBondContact O-N 3.35Å; P39-T42 WeakPolarHBondContact CA-OG1 3.37Å; P39-T42 PolarHBondContact O-N 3.15Å; P39-T42 PolarHBondContact O-OG1 3.18Å; T42-A45 PolarHBondContact O-N 2.67Å; T42-I46 WeakPolarHBondContact O-CG1 3.38Å; T42-I46 PolarHBondContact O-N 3.04Å |
| 43 | E | 96.3 | Very high | 94.1 | Very high | 98 Ų | 98 | 64.2 Ų | 64.2 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174.2 | -169.1 | -165.9 | 151.3 | 0 | 0 | 111.7 | P39 A45 I46 K47 | P39-E43 PolarHBondContact O-N 3.19Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 3.36Å; E43-I46 PolarHBondContact O-N 3.4Å; E43-I46 VanDerWaalsContact O-N 3.14Å; E43-K47 PolarHBondContact O-N 3.4Å; E43-K47 WeakPolarHBondContact OE1-CE 3.47Å; E43-K47 IonicContact OE1-NZ 2.78Å; E43-K47 PolarHBondContact OE1-NZ 3.09Å |
| 44 | A | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.033 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R40 I46 K47 Y48 V107 T111 | R40-A44 WeakPolarHBondContact O-CB 3.21Å; R40-A44 PolarHBondContact O-N 3.44Å; A44-I46 VanDerWaalsContact C-N 3.32Å; A44-I46 PolarHBondContact O-N 3.46Å; A44-K47 PolarHBondContact O-N 3.01Å; A44-Y48 WeakPolarHBondContact O-CB 3.5Å; A44-Y48 PolarHBondContact O-N 2.81Å; A44-V107 HydrophobicContact CB-CG2 4.45Å; A44-V107 WeakPolarHBondContact O-CG2 3.5Å; A44-T111 HydrophobicContact CB-CG2 3.9Å |
| 45 | A | 96.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 66.2 Ų | 66.2 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L33 T34 S41 T42 E43 F49 | L33-A45 HydrophobicContact CB-CB 4.12Å; T34-A45 HydrophobicContact CG2-CB 3.54Å; S41-A45 PolarHBondContact O-N 3Å; S41-A45 VanDerWaalsContact O-N 3.09Å; T42-A45 PolarHBondContact O-N 2.67Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 3.36Å; A45-F49 WeakPolarHBondContact O-CB 3.38Å; A45-F49 PolarHBondContact O-N 3.45Å |
| 46 | I | 97.1 | Very high | 95.2 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 52% | 0.518 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.7 | -66 | 163.1 | 0 | 0 | 0 | 110.9 | T42 E43 A44 Y48 F49 L50 | T42-I46 WeakPolarHBondContact O-CG1 3.38Å; T42-I46 PolarHBondContact O-N 3.04Å; E43-I46 PolarHBondContact O-N 3.4Å; E43-I46 VanDerWaalsContact O-N 3.14Å; A44-I46 VanDerWaalsContact C-N 3.32Å; A44-I46 PolarHBondContact O-N 3.46Å; I46-Y48 VanDerWaalsContact C-N 3.34Å; I46-Y48 PolarHBondContact O-N 2.96Å; I46-F49 PolarHBondContact O-N 3.18Å; I46-L50 HydrophobicContact CG2-CD1 3.98Å; I46-L50 HydrophobicContact CG2-CG 4.42Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.25Å |
| 47 | K | 97.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 177 | -70.4 | 178 | 168.6 | -178.4 | 0 | 112 | E43 A44 T51 E106 V107 | E43-K47 PolarHBondContact O-N 3.4Å; E43-K47 WeakPolarHBondContact OE1-CE 3.47Å; E43-K47 IonicContact OE1-NZ 2.78Å; E43-K47 PolarHBondContact OE1-NZ 3.09Å; A44-K47 PolarHBondContact O-N 3.01Å; K47-T51 WeakPolarHBondContact O-CG2 3.12Å; K47-T51 PolarHBondContact O-N 3.18Å; K47-T51 PolarHBondContact O-OG1 2.92Å; K47-E106 HydrophobicContact CD-CB 4.38Å; K47-E106 WeakPolarHBondContact CD-OE2 3.22Å; K47-E106 VanDerWaalsContact CE-OE2 3.27Å; K47-E106 WeakPolarHBondContact CE-OE2 3.38Å; K47-E106 IonicContact NZ-OE1 3Å; K47-E106 PolarHBondContact NZ-OE1 3.33Å; K47-E106 IonicContact NZ-OE2 2.91Å; K47-E106 PolarHBondContact NZ-OE2 2.92Å; K47-V107 HydrophobicContact CB-CG2 4.39Å |
| 48 | Y | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 172.7 | 179.1 | -96.8 | 0 | 0 | 0 | 111.7 | M26 F29 I30 L33 A44 I46 L50 T51 Q52 W103 L119 Q123 | M26-Y48 HydrophobicContact CG-CE1 4.37Å; F29-Y48 AromaticContact CD1-CE1 3.8Å; F29-Y48 HydrophobicContact CD1-CE1 3.8Å; F29-Y48 HydrophobicContact CD1-CE2 4.19Å; F29-Y48 AromaticContact CD1-CZ 3.61Å; F29-Y48 HydrophobicContact CE1-CE2 4.38Å; I30-Y48 HydrophobicContact CG1-CD1 4.46Å; L33-Y48 HydrophobicContact CD1-CD1 3.65Å; L33-Y48 HydrophobicContact CD1-CD2 4.33Å; L33-Y48 HydrophobicContact CD1-CE1 4.31Å; L33-Y48 HydrophobicContact CD1-CG 3.65Å; A44-Y48 WeakPolarHBondContact O-CB 3.5Å; A44-Y48 PolarHBondContact O-N 2.81Å; I46-Y48 VanDerWaalsContact C-N 3.34Å; I46-Y48 PolarHBondContact O-N 2.96Å; Y48-L50 PolarHBondContact O-N 2.92Å; Y48-T51 PolarHBondContact O-OG1 3Å; Y48-Q52 HydrophobicContact CD1-CG 4.24Å; Y48-Q52 HydrophobicContact CD2-CG 3.94Å; Y48-Q52 HydrophobicContact CE1-CG 3.96Å; Y48-Q52 HydrophobicContact CE2-CG 3.64Å; Y48-Q52 HydrophobicContact CG-CG 4.24Å; Y48-Q52 VanDerWaalsContact O-CB 3.31Å; Y48-Q52 WeakPolarHBondContact O-CB 3.48Å; Y48-Q52 WeakPolarHBondContact O-CG 3.45Å; Y48-Q52 PolarHBondContact O-N 2.74Å; Y48-W103 HydrophobicContact CD2-CE3 4.26Å; Y48-W103 HydrophobicContact CD2-CH2 4.21Å; Y48-W103 AromaticContact CD2-CZ3 3.69Å; Y48-W103 HydrophobicContact CD2-CZ3 3.69Å; Y48-W103 HydrophobicContact CE2-CH2 4.2Å; Y48-W103 HydrophobicContact CE2-CZ3 4.1Å; Y48-L119 HydrophobicContact CD2-CD1 3.9Å; Y48-L119 HydrophobicContact CE2-CD1 3.65Å; Y48-Q123 PolarHBondContact OH-OE1 3.02Å |
| 49 | F | 98.2 | Very high | 96.7 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 39% | 0.386 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -50.1 | -179.8 | 175.6 | -103.7 | 0 | 0 | 0 | 112.1 | M26 I30 A45 I46 T51 Q52 A53 | M26-F49 HydrophobicContact CE-CD2 3.3Å; M26-F49 HydrophobicContact CE-CE2 3.38Å; M26-F49 HydrophobicContact CE-CG 4.27Å; M26-F49 HydrophobicContact CE-CZ 4.38Å; M26-F49 HydrophobicContact SD-CD2 3.78Å; M26-F49 HydrophobicContact SD-CE2 4.04Å; I30-F49 HydrophobicContact CD1-CB 4.48Å; I30-F49 HydrophobicContact CD1-CD2 3.56Å; I30-F49 HydrophobicContact CD1-CE2 4.25Å; I30-F49 HydrophobicContact CD1-CG 4.42Å; A45-F49 WeakPolarHBondContact O-CB 3.38Å; A45-F49 PolarHBondContact O-N 3.45Å; I46-F49 PolarHBondContact O-N 3.18Å; F49-T51 PolarHBondContact O-N 2.89Å; F49-Q52 PolarHBondContact O-N 2.67Å; F49-A53 WeakPolarHBondContact O-CB 3.39Å; F49-A53 PolarHBondContact O-N 3.36Å |
| 50 | L | 98.3 | Very high | 96.9 | Very high | 100 Ų | 100 | 47 Ų | 47 | 52% | 0.524 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -47.6 | -177.4 | -71.8 | 170.7 | 0 | 0 | 0 | 111.9 | I46 Y48 Q52 T54 | I46-L50 HydrophobicContact CG2-CD1 3.98Å; I46-L50 HydrophobicContact CG2-CG 4.42Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.25Å; Y48-L50 PolarHBondContact O-N 2.92Å; L50-Q52 PolarHBondContact O-N 2.97Å; L50-T54 VanDerWaalsContact O-CG2 3.3Å; L50-T54 WeakPolarHBondContact O-CG2 3.25Å; L50-T54 PolarHBondContact O-N 3.02Å; L50-T54 PolarHBondContact O-OG1 3.35Å; L50-T54 VanDerWaalsContact O-OG1 3.1Å |
| 51 | T | 97.4 | Very high | 97 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -38 | -179.9 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | K47 Y48 F49 T54 A55 W103 | K47-T51 WeakPolarHBondContact O-CG2 3.12Å; K47-T51 PolarHBondContact O-N 3.18Å; K47-T51 PolarHBondContact O-OG1 2.92Å; Y48-T51 PolarHBondContact O-OG1 3Å; F49-T51 PolarHBondContact O-N 2.89Å; T51-T54 PolarHBondContact O-OG1 2.9Å; T51-A55 WeakPolarHBondContact O-CB 3.38Å; T51-A55 PolarHBondContact O-N 3.46Å; T51-W103 HydrophobicContact CG2-CB 4.06Å; T51-W103 HydrophobicContact CG2-CG 4.07Å |
| 52 | Q | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78.7 | -31.1 | -178.3 | -65.3 | -66.4 | -20.5 | 0 | 0 | 113.1 | M26 Y48 F49 L50 S56 K94 | M26-Q52 HydrophobicContact CE-CB 4.44Å; M26-Q52 HydrophobicContact CG-CB 3.69Å; Y48-Q52 HydrophobicContact CD1-CG 4.24Å; Y48-Q52 HydrophobicContact CD2-CG 3.94Å; Y48-Q52 HydrophobicContact CE1-CG 3.96Å; Y48-Q52 HydrophobicContact CE2-CG 3.64Å; Y48-Q52 HydrophobicContact CG-CG 4.24Å; Y48-Q52 VanDerWaalsContact O-CB 3.31Å; Y48-Q52 WeakPolarHBondContact O-CB 3.48Å; Y48-Q52 WeakPolarHBondContact O-CG 3.45Å; Y48-Q52 PolarHBondContact O-N 2.74Å; F49-Q52 PolarHBondContact O-N 2.67Å; L50-Q52 PolarHBondContact O-N 2.97Å; Q52-S56 PolarHBondContact O-N 2.88Å; Q52-S56 PolarHBondContact O-OG 3.44Å; Q52-K94 PolarHBondContact NE2-O 2.78Å; Q52-K94 PolarHBondContact O-NZ 3.32Å; Q52-K94 VanDerWaalsContact O-NZ 3.1Å; Q52-K94 VanDerWaalsContact OE1-CG 3.27Å |
| 53 | A | 97 | Very high | 97 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 20% | 0.198 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71 | -42.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | M26 F49 A55 S56 M57 | M26-A53 HydrophobicContact CE-CB 3.69Å; F49-A53 WeakPolarHBondContact O-CB 3.39Å; F49-A53 PolarHBondContact O-N 3.36Å; A53-A55 VanDerWaalsContact C-N 3.33Å; A53-A55 PolarHBondContact O-N 3.27Å; A53-S56 PolarHBondContact O-N 3.35Å; A53-S56 PolarHBondContact O-OG 2.92Å; A53-M57 WeakPolarHBondContact O-CG 3.46Å; A53-M57 PolarHBondContact O-N 3.06Å |
| 54 | T | 98 | Very high | 97 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 175 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | L50 T51 S56 M57 I58 | L50-T54 VanDerWaalsContact O-CG2 3.3Å; L50-T54 WeakPolarHBondContact O-CG2 3.25Å; L50-T54 PolarHBondContact O-N 3.02Å; L50-T54 PolarHBondContact O-OG1 3.35Å; L50-T54 VanDerWaalsContact O-OG1 3.1Å; T51-T54 PolarHBondContact O-OG1 2.9Å; T54-S56 VanDerWaalsContact C-N 3.33Å; T54-S56 PolarHBondContact O-N 3.13Å; T54-M57 PolarHBondContact O-N 2.86Å; T54-I58 VanDerWaalsContact O-CG1 3.28Å; T54-I58 WeakPolarHBondContact O-CG1 3.47Å; T54-I58 PolarHBondContact O-N 3.19Å |
| 55 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T51 A53 I58 L59 A90 M93 K94 | T51-A55 WeakPolarHBondContact O-CB 3.38Å; T51-A55 PolarHBondContact O-N 3.46Å; A53-A55 VanDerWaalsContact C-N 3.33Å; A53-A55 PolarHBondContact O-N 3.27Å; A55-I58 PolarHBondContact O-N 3.12Å; A55-L59 PolarHBondContact O-N 2.9Å; A55-A90 WeakPolarHBondContact O-CB 3.5Å; A55-M93 HydrophobicContact CB-CB 3.76Å; A55-M93 HydrophobicContact CB-SD 4.29Å; A55-K94 HydrophobicContact CB-CG 3.68Å |
| 56 | S | 97.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.2 | -33.8 | 179.3 | 64.6 | 0 | 0 | 0 | 0 | 113 | W19 E23 Q52 A53 T54 L59 L60 | W19-S56 PolarHBondContact NE1-O 2.92Å; E23-S56 WeakPolarHBondContact OE1-CB 3.46Å; E23-S56 PolarHBondContact OE1-OG 2.66Å; Q52-S56 PolarHBondContact O-N 2.88Å; Q52-S56 PolarHBondContact O-OG 3.44Å; A53-S56 PolarHBondContact O-N 3.35Å; A53-S56 PolarHBondContact O-OG 2.92Å; T54-S56 VanDerWaalsContact C-N 3.33Å; T54-S56 PolarHBondContact O-N 3.13Å; S56-L59 WeakPolarHBondContact O-CB 3.21Å; S56-L59 PolarHBondContact O-N 3.27Å; S56-L60 PolarHBondContact O-N 3.26Å |
| 57 | M | 97.8 | Very high | 96.6 | Very high | 112 Ų | 112 | 42 Ų | 42 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.1 | -39.4 | 172.9 | -67.7 | -54.9 | -63.6 | 0 | 0 | 112.2 | A53 T54 L59 L60 M61 | A53-M57 WeakPolarHBondContact O-CG 3.46Å; A53-M57 PolarHBondContact O-N 3.06Å; T54-M57 PolarHBondContact O-N 2.86Å; M57-L59 VanDerWaalsContact C-N 3.29Å; M57-L59 PolarHBondContact O-N 3.29Å; M57-L60 HydrophobicContact CE-CD2 4.48Å; M57-L60 PolarHBondContact O-N 3.34Å; M57-M61 PolarHBondContact O-N 3.45Å |
| 58 | I | 97.8 | Very high | 96.4 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 172.7 | -65.9 | 164.3 | 0 | 0 | 0 | 110.3 | T54 A55 M61 A62 M86 A90 M93 | T54-I58 VanDerWaalsContact O-CG1 3.28Å; T54-I58 WeakPolarHBondContact O-CG1 3.47Å; T54-I58 PolarHBondContact O-N 3.19Å; A55-I58 PolarHBondContact O-N 3.12Å; I58-M61 PolarHBondContact O-N 3.11Å; I58-A62 PolarHBondContact O-N 2.83Å; I58-M86 HydrophobicContact CG2-CB 4.29Å; I58-A90 HydrophobicContact CB-CB 4.26Å; I58-A90 HydrophobicContact CG2-CB 4.04Å; I58-M93 HydrophobicContact CD1-CE 3.82Å; I58-M93 HydrophobicContact CD1-SD 3.83Å |
| 59 | L | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.6 | -172.4 | 132.2 | 0 | 0 | 0 | 111.8 | W19 L22 A55 S56 M57 M61 A62 I63 A90 M91 | W19-L59 HydrophobicContact CB-CD2 3.76Å; W19-L59 HydrophobicContact CG-CD2 4.06Å; L22-L59 HydrophobicContact CD1-CD1 3.91Å; L22-L59 HydrophobicContact CD1-CD2 4.41Å; A55-L59 PolarHBondContact O-N 2.9Å; S56-L59 WeakPolarHBondContact O-CB 3.21Å; S56-L59 PolarHBondContact O-N 3.27Å; M57-L59 VanDerWaalsContact C-N 3.29Å; M57-L59 PolarHBondContact O-N 3.29Å; L59-M61 VanDerWaalsContact C-N 3.33Å; L59-M61 PolarHBondContact O-N 3.04Å; L59-A62 WeakPolarHBondContact O-CB 3.38Å; L59-A62 PolarHBondContact O-N 3.35Å; L59-I63 HydrophobicContact CD2-CD1 3.48Å; L59-I63 VanDerWaalsContact CD2-CD1 3.48Å; L59-I63 HydrophobicContact CD2-CG1 4.43Å; L59-I63 HydrophobicContact CG-CD1 4.26Å; L59-I63 VanDerWaalsContact O-CG1 3.32Å; L59-I63 WeakPolarHBondContact O-CG1 3.05Å; L59-I63 PolarHBondContact O-N 3.39Å; L59-A90 HydrophobicContact CB-CB 4.01Å; L59-A90 HydrophobicContact CD1-CB 4.48Å; L59-M91 HydrophobicContact CD1-CE 3.32Å; L59-M91 HydrophobicContact CD1-SD 4.35Å |
| 60 | L | 96.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.8 | -168.2 | 78.8 | 0 | 0 | 0 | 111.4 | W19 S56 M57 A62 I63 L64 | W19-L60 HydrophobicContact CD2-CD1 4.12Å; W19-L60 HydrophobicContact CG-CD1 4.25Å; S56-L60 PolarHBondContact O-N 3.26Å; M57-L60 HydrophobicContact CE-CD2 4.48Å; M57-L60 PolarHBondContact O-N 3.34Å; L60-A62 VanDerWaalsContact C-N 3.29Å; L60-A62 PolarHBondContact O-N 3.38Å; L60-I63 PolarHBondContact O-N 3.34Å; L60-L64 HydrophobicContact CD2-CD1 4.5Å; L60-L64 HydrophobicContact CG-CD1 4.25Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 2.91Å |
| 61 | M | 96.9 | Very high | 95.2 | Very high | 107 Ų | 107 | 47.2 Ų | 47.2 | 53% | 0.527 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.6 | -177.2 | 60.5 | -175.6 | 0 | 0 | 111.4 | M57 I58 L59 I63 L64 F65 M86 | M57-M61 PolarHBondContact O-N 3.45Å; I58-M61 PolarHBondContact O-N 3.11Å; L59-M61 VanDerWaalsContact C-N 3.33Å; L59-M61 PolarHBondContact O-N 3.04Å; M61-I63 PolarHBondContact O-N 2.78Å; M61-L64 PolarHBondContact O-N 3.38Å; M61-F65 VanDerWaalsContact O-CB 3.23Å; M61-F65 WeakPolarHBondContact O-CB 3.27Å; M61-F65 PolarHBondContact O-N 3Å; M61-M86 HydrophobicContact CG-SD 4.29Å |
| 62 | A | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I58 L59 L60 N66 M86 I87 | I58-A62 PolarHBondContact O-N 2.83Å; L59-A62 WeakPolarHBondContact O-CB 3.38Å; L59-A62 PolarHBondContact O-N 3.35Å; L60-A62 VanDerWaalsContact C-N 3.29Å; L60-A62 PolarHBondContact O-N 3.38Å; A62-N66 WeakPolarHBondContact O-CB 3.36Å; A62-N66 PolarHBondContact O-N 3.02Å; A62-M86 HydrophobicContact CB-CB 3.61Å; A62-M86 HydrophobicContact CB-CE 4.32Å; A62-I87 HydrophobicContact CB-CD1 4.42Å; A62-I87 HydrophobicContact CB-CG1 3.66Å |
| 63 | I | 94.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -49.7 | 176.6 | -66.4 | 164.9 | 0 | 0 | 0 | 110.7 | W15 W19 L59 L60 M61 F65 N66 N67 W73 | W15-I63 HydrophobicContact CB-CB 4.36Å; W15-I63 HydrophobicContact CB-CD1 3.91Å; W15-I63 HydrophobicContact CB-CG1 3.86Å; W15-I63 HydrophobicContact CB-CG2 3.57Å; W15-I63 HydrophobicContact CD2-CD1 4.4Å; W15-I63 HydrophobicContact CD2-CG1 3.9Å; W15-I63 HydrophobicContact CE3-CD1 3.85Å; W15-I63 HydrophobicContact CE3-CG1 3.62Å; W15-I63 HydrophobicContact CG-CD1 4.49Å; W15-I63 HydrophobicContact CG-CG1 4.05Å; W15-I63 HydrophobicContact CG-CG2 4.2Å; W15-I63 HydrophobicContact CZ3-CG1 4.45Å; W19-I63 HydrophobicContact CB-CD1 4.2Å; L59-I63 HydrophobicContact CD2-CD1 3.48Å; L59-I63 VanDerWaalsContact CD2-CD1 3.48Å; L59-I63 HydrophobicContact CD2-CG1 4.43Å; L59-I63 HydrophobicContact CG-CD1 4.26Å; L59-I63 VanDerWaalsContact O-CG1 3.32Å; L59-I63 WeakPolarHBondContact O-CG1 3.05Å; L59-I63 PolarHBondContact O-N 3.39Å; L60-I63 PolarHBondContact O-N 3.34Å; M61-I63 PolarHBondContact O-N 2.78Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 2.84Å; I63-N66 PolarHBondContact O-N 3.03Å; I63-N67 PolarHBondContact O-N 3.45Å; I63-W73 HydrophobicContact CG2-CE3 4.25Å; I63-W73 HydrophobicContact CG2-CZ3 3.99Å |
| 64 | L | 95.3 | Very high | 94 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 42% | 0.424 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | -179.3 | -68.2 | 175.8 | 0 | 0 | 0 | 111.4 | L60 M61 N67 M68 W73 | L60-L64 HydrophobicContact CD2-CD1 4.5Å; L60-L64 HydrophobicContact CG-CD1 4.25Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 2.91Å; M61-L64 PolarHBondContact O-N 3.38Å; L64-N67 PolarHBondContact O-N 3.38Å; L64-M68 WeakPolarHBondContact O-CB 3.37Å; L64-M68 PolarHBondContact O-N 3.14Å; L64-W73 HydrophobicContact CD2-CH2 4.11Å |
| 65 | F | 94.2 | Very high | 93.4 | Very high | 55 Ų | 55 | 53 Ų | 53 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 175.8 | -171 | -104.6 | 0 | 0 | 0 | 112.3 | M61 I63 N67 M68 L69 M86 | M61-F65 VanDerWaalsContact O-CB 3.23Å; M61-F65 WeakPolarHBondContact O-CB 3.27Å; M61-F65 PolarHBondContact O-N 3Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 2.84Å; F65-N67 VanDerWaalsContact C-N 3.35Å; F65-M68 PolarHBondContact O-N 3.31Å; F65-L69 HydrophobicContact CD1-CD1 3.96Å; F65-L69 HydrophobicContact CE1-CD1 3.38Å; F65-L69 HydrophobicContact CE2-CD1 4.18Å; F65-L69 HydrophobicContact CZ-CD1 3.53Å; F65-L69 HydrophobicContact CZ-CG 4.48Å; F65-L69 PolarHBondContact O-N 3.38Å; F65-M86 HydrophobicContact CB-CE 4.02Å; F65-M86 HydrophobicContact CD1-CE 3.76Å; F65-M86 HydrophobicContact CG-CE 4.03Å |
| 66 | N | 93.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.011 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.3 | -172 | 56 | 0 | 0 | 0 | 111.3 | A62 I63 L69 S70 N80 S83 | A62-N66 WeakPolarHBondContact O-CB 3.36Å; A62-N66 PolarHBondContact O-N 3.02Å; I63-N66 PolarHBondContact O-N 3.03Å; N66-L69 PolarHBondContact O-N 3.47Å; N66-S70 WeakPolarHBondContact O-CB 3.3Å; N66-S70 PolarHBondContact O-N 2.98Å; N66-S70 PolarHBondContact O-OG 3.05Å; N66-N80 PolarHBondContact OD1-N 3.02Å; N66-S83 PolarHBondContact OD1-OG 2.96Å |
| 67 | N | 92.6 | Very high | 91.3 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 177.7 | -177 | 44.2 | 0 | 0 | 0 | 112.4 | I63 L64 F65 L69 G71 W73 | I63-N67 PolarHBondContact O-N 3.45Å; L64-N67 PolarHBondContact O-N 3.38Å; F65-N67 VanDerWaalsContact C-N 3.35Å; N67-L69 PolarHBondContact O-N 3.37Å; N67-G71 VanDerWaalsContact O-CA 3.27Å; N67-G71 WeakPolarHBondContact O-CA 3.27Å; N67-G71 PolarHBondContact O-N 3.33Å; N67-G71 WeakPolarHBondContact OD1-CA 3.38Å; N67-W73 HydrophobicContact CB-CZ2 4.46Å; N67-W73 VanDerWaalsContact ND2-CE2 3.25Å; N67-W73 WeakPolarHBondContact ND2-CZ2 3.38Å; N67-W73 PolarHBondContact ND2-NE1 3Å; N67-W73 PolarHBondContact OD1-NE1 3.44Å |
| 68 | M | 92.8 | Very high | 89.9 | Confident | 146 Ų | 146 | 58.5 Ų | 58.5 | 72% | 0.719 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.9 | -35.4 | 175.8 | -174.8 | -170.6 | -63.8 | 0 | 0 | 112.3 | L64 F65 | L64-M68 WeakPolarHBondContact O-CB 3.37Å; L64-M68 PolarHBondContact O-N 3.14Å; F65-M68 PolarHBondContact O-N 3.31Å |
| 69 | L | 91.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -95.8 | -32.2 | -174.6 | -65.4 | 174.5 | 0 | 0 | 0 | 114.2 | F65 N66 N67 N80 | F65-L69 HydrophobicContact CD1-CD1 3.96Å; F65-L69 HydrophobicContact CE1-CD1 3.38Å; F65-L69 HydrophobicContact CE2-CD1 4.18Å; F65-L69 HydrophobicContact CZ-CD1 3.53Å; F65-L69 HydrophobicContact CZ-CG 4.48Å; F65-L69 PolarHBondContact O-N 3.38Å; N66-L69 PolarHBondContact O-N 3.47Å; N67-L69 PolarHBondContact O-N 3.37Å; L69-N80 WeakPolarHBondContact CD1-ND2 3.36Å |
| 70 | S | 88.8 | Confident | 88.4 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -113.3 | -18.2 | -174.1 | 67.2 | 0 | 0 | 0 | 0 | 114.4 | N66 Q72 | N66-S70 WeakPolarHBondContact O-CB 3.3Å; N66-S70 PolarHBondContact O-N 2.98Å; N66-S70 PolarHBondContact O-OG 3.05Å; S70-Q72 PolarHBondContact O-N 2.66Å; S70-Q72 PolarHBondContact OG-N 2.98Å |
| 71 | G | 89.4 | Confident | 87.9 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | trans | 68.2 | 8.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N67 | N67-G71 VanDerWaalsContact O-CA 3.27Å; N67-G71 WeakPolarHBondContact O-CA 3.27Å; N67-G71 PolarHBondContact O-N 3.33Å; N67-G71 WeakPolarHBondContact OD1-CA 3.38Å | ||
| 72 | Q | 86.8 | Confident | 87.7 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | trans | -99.1 | 129.8 | -176.6 | -62.9 | -174.6 | -2.7 | 0 | 0 | 112.1 | S70 T76 | S70-Q72 PolarHBondContact O-N 2.66Å; S70-Q72 PolarHBondContact OG-N 2.98Å; Q72-T76 PolarHBondContact OE1-OG1 3.11Å | ||
| 73 | W | 89.9 | Confident | 87.6 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 35% | 0.345 | 35% | 0.346 | S | S | . | . | trans | -103.5 | -10.9 | 172.8 | -72.5 | 94 | 0 | 0 | 0 | 114.1 | H14 W15 I63 L64 N67 | H14-W73 AromaticContact CE1-CD2 3.8Å; H14-W73 AromaticContact CE1-CE3 3.39Å; H14-W73 VanDerWaalsContact NE2-CB 3.3Å; H14-W73 WeakPolarHBondContact NE2-CB 3.35Å; H14-W73 AromaticContact NE2-CD2 3.85Å; H14-W73 AromaticContact NE2-CE3 3.92Å; H14-W73 AromaticContact NE2-CG 3.64Å; W15-W73 VanDerWaalsContact CD1-O 3.3Å; W15-W73 PolarHBondContact N-O 3.02Å; I63-W73 HydrophobicContact CG2-CE3 4.25Å; I63-W73 HydrophobicContact CG2-CZ3 3.99Å; L64-W73 HydrophobicContact CD2-CH2 4.11Å; N67-W73 HydrophobicContact CB-CZ2 4.46Å; N67-W73 VanDerWaalsContact ND2-CE2 3.25Å; N67-W73 WeakPolarHBondContact ND2-CZ2 3.38Å; N67-W73 PolarHBondContact ND2-NE1 3Å; N67-W73 PolarHBondContact OD1-NE1 3.44Å | ||
| 74 | T | 91.2 | Very high | 87.5 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -79.2 | 149.6 | -179.8 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | S13 W15 T76 | S13-T74 CarbonylContact O-C 3.58Å; S13-T74 VanDerWaalsContact O-CA 3.32Å; S13-T74 WeakPolarHBondContact O-CA 3.35Å; W15-T74 PolarHBondContact NE1-O 3.11Å; T74-T76 PolarHBondContact O-N 3.18Å; T74-T76 WeakPolarHBondContact OG1-CG2 3.3Å |
| 75 | M | 85.1 | Confident | 87.5 | Confident | 32 Ų | 32 | 64 Ų | 64 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | trans | -69.2 | 79.8 | 169.2 | -66.6 | -65.1 | -70.6 | 0 | 0 | 108.4 | S13 W15 T18 I130 Q133 I134 | S13-M75 WeakPolarHBondContact O-CG 3.48Å; S13-M75 PolarHBondContact O-N 3.47Å; W15-M75 HydrophobicContact CD2-CE 4.43Å; W15-M75 HydrophobicContact CD2-SD 3.17Å; W15-M75 HydrophobicContact CE3-CE 4.27Å; W15-M75 HydrophobicContact CE3-SD 3.4Å; W15-M75 HydrophobicContact CG-SD 3.77Å; W15-M75 HydrophobicContact CH2-CE 3.59Å; W15-M75 HydrophobicContact CH2-SD 3.61Å; W15-M75 HydrophobicContact CZ2-CE 3.77Å; W15-M75 HydrophobicContact CZ2-SD 3.39Å; W15-M75 WeakPolarHBondContact CZ2-SD 3.46Å; W15-M75 HydrophobicContact CZ3-CE 3.87Å; W15-M75 HydrophobicContact CZ3-SD 3.62Å; T18-M75 HydrophobicContact CG2-CG 4.21Å; T18-M75 HydrophobicContact CG2-SD 4.06Å; M75-I130 HydrophobicContact CE-CG2 3.88Å; M75-Q133 HydrophobicContact CE-CB 4.02Å; M75-I134 HydrophobicContact CE-CG2 3.65Å | ||
| 76 | T | 79.5 | Confident | 87.6 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 20% | 0.202 | 34% | 0.337 | C | S | . | . | trans | -90.4 | 156.8 | 172.6 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | Q72 T74 T78 | Q72-T76 PolarHBondContact OE1-OG1 3.11Å; T74-T76 PolarHBondContact O-N 3.18Å; T74-T76 WeakPolarHBondContact OG1-CG2 3.3Å; T76-T78 PolarHBondContact O-N 3.39Å; T76-T78 PolarHBondContact OG1-O 2.96Å | ||
| 77 | N | 71.1 | Confident | 87.7 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -69.4 | 3.2 | 175.3 | -69.4 | -10.2 | 0 | 0 | 0 | 113.2 | Q133 P136 S137 | N77-Q133 PolarHBondContact OD1-O 3.33Å; N77-P136 HydrophobicContact CB-CB 4.4Å; N77-P136 HydrophobicContact CB-CG 4.23Å; N77-S137 VanDerWaalsContact O-CB 3.3Å; N77-S137 WeakPolarHBondContact O-CB 3.31Å |
| 78 | T | 69.6 | Low | 87.8 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 60% | 0.595 | 33% | 0.328 | S | S | * | . | trans | -127.3 | 89.5 | -175.4 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | T76 | T76-T78 PolarHBondContact O-N 3.39Å; T76-T78 PolarHBondContact OG1-O 2.96Å | ||
| 79 | T | 74.8 | Confident | 88 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | trans | -93.2 | 147.4 | 166.6 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | W15 S84 I87 S137 | W15-T79 HydrophobicContact CZ2-CG2 3.88Å; T79-S84 VanDerWaalsContact OG1-CB 3.32Å; T79-S84 WeakPolarHBondContact OG1-CB 3.41Å; T79-I87 HydrophobicContact CG2-CD1 4.23Å; T79-S137 WeakPolarHBondContact OG1-CB 3.32Å; T79-S137 PolarHBondContact OG1-OG 3.48Å | ||
| 80 | N | 86.8 | Confident | 88.3 | Confident | 56 Ų | 56 | 53.1 Ų | 53.1 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | trans | -58.6 | 145.8 | 172.4 | -178.7 | 19.3 | 0 | 0 | 0 | 110.5 | N66 L69 Y82 S83 S84 | N66-N80 PolarHBondContact OD1-N 3.02Å; L69-N80 WeakPolarHBondContact CD1-ND2 3.36Å; N80-Y82 VanDerWaalsContact C-N 3.29Å; N80-Y82 PolarHBondContact O-N 2.89Å; N80-S83 WeakPolarHBondContact CA-OG 3.44Å; N80-S83 PolarHBondContact N-OG 3.15Å; N80-S83 CarbonylContact O-C 3.4Å; N80-S83 WeakPolarHBondContact O-CA 3.29Å; N80-S83 PolarHBondContact O-N 3.38Å; N80-S83 PolarHBondContact O-OG 3.37Å; N80-S84 PolarHBondContact O-N 3.41Å | ||
| 81 | Q | 87.5 | Confident | 88.7 | Confident | 127 Ų | 127 | 50.7 Ų | 50.7 | 59% | 0.593 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -52.2 | -42 | -176.5 | -172.6 | 176.3 | -2.5 | 0 | 0 | 113.4 | S84 L85 | Q81-S84 PolarHBondContact O-OG 3.48Å; Q81-L85 VanDerWaalsContact O-CG 3.3Å; Q81-L85 WeakPolarHBondContact O-CG 3.18Å; Q81-L85 PolarHBondContact O-N 2.94Å |
| 82 | Y | 92.1 | Very high | 89.1 | Confident | 152 Ų | 152 | 48.1 Ų | 48.1 | 60% | 0.596 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -71.3 | -35.5 | 176.6 | -65 | -69.8 | 0 | 0 | 0 | 112.8 | N80 L85 M86 | N80-Y82 VanDerWaalsContact C-N 3.29Å; N80-Y82 PolarHBondContact O-N 2.89Å; Y82-L85 HydrophobicContact CD1-CD1 4.49Å; Y82-L85 PolarHBondContact O-N 3.06Å; Y82-M86 PolarHBondContact O-N 3.06Å; Y82-M86 VanDerWaalsContact O-N 3.1Å |
| 83 | S | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -37.8 | 175.4 | 62.2 | 0 | 0 | 0 | 0 | 112 | N66 N80 L85 M86 I87 | N66-S83 PolarHBondContact OD1-OG 2.96Å; N80-S83 WeakPolarHBondContact CA-OG 3.44Å; N80-S83 PolarHBondContact N-OG 3.15Å; N80-S83 CarbonylContact O-C 3.4Å; N80-S83 WeakPolarHBondContact O-CA 3.29Å; N80-S83 PolarHBondContact O-N 3.38Å; N80-S83 PolarHBondContact O-OG 3.37Å; S83-L85 VanDerWaalsContact C-N 3.32Å; S83-L85 PolarHBondContact O-N 3.37Å; S83-M86 PolarHBondContact O-N 3.25Å; S83-I87 WeakPolarHBondContact O-CD1 3.12Å; S83-I87 VanDerWaalsContact O-CG1 3.23Å; S83-I87 WeakPolarHBondContact O-CG1 3.27Å; S83-I87 PolarHBondContact O-N 3.46Å |
| 84 | S | 92.9 | Very high | 90 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 176 | 76.5 | 0 | 0 | 0 | 0 | 111.5 | T79 N80 Q81 I87 M88 S137 | T79-S84 VanDerWaalsContact OG1-CB 3.32Å; T79-S84 WeakPolarHBondContact OG1-CB 3.41Å; N80-S84 PolarHBondContact O-N 3.41Å; Q81-S84 PolarHBondContact O-OG 3.48Å; S84-I87 PolarHBondContact O-N 2.92Å; S84-M88 WeakPolarHBondContact O-CB 3.41Å; S84-M88 WeakPolarHBondContact O-CG 3.5Å; S84-M88 PolarHBondContact O-N 3.39Å; S84-S137 WeakPolarHBondContact CB-O 3.48Å; S84-S137 PolarHBondContact OG-O 3.33Å |
| 85 | L | 95.3 | Very high | 90.3 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -50.2 | 171.5 | -69.8 | 168.6 | 0 | 0 | 0 | 112 | Q81 Y82 S83 I87 M88 M89 L142 | Q81-L85 VanDerWaalsContact O-CG 3.3Å; Q81-L85 WeakPolarHBondContact O-CG 3.18Å; Q81-L85 PolarHBondContact O-N 2.94Å; Y82-L85 HydrophobicContact CD1-CD1 4.49Å; Y82-L85 PolarHBondContact O-N 3.06Å; S83-L85 VanDerWaalsContact C-N 3.32Å; S83-L85 PolarHBondContact O-N 3.37Å; L85-I87 PolarHBondContact O-N 3.21Å; L85-M88 HydrophobicContact CD2-CE 3.85Å; L85-M88 HydrophobicContact CG-CE 4.5Å; L85-M88 PolarHBondContact O-N 3.49Å; L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.39Å; L85-M89 PolarHBondContact O-N 2.94Å; L85-L142 HydrophobicContact CD2-CD1 3.67Å |
| 86 | M | 96.2 | Very high | 90.8 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 178.8 | -70.4 | -175.4 | -76.4 | 0 | 0 | 112.4 | I58 M61 A62 F65 Y82 S83 M89 A90 | I58-M86 HydrophobicContact CG2-CB 4.29Å; M61-M86 HydrophobicContact CG-SD 4.29Å; A62-M86 HydrophobicContact CB-CB 3.61Å; A62-M86 HydrophobicContact CB-CE 4.32Å; F65-M86 HydrophobicContact CB-CE 4.02Å; F65-M86 HydrophobicContact CD1-CE 3.76Å; F65-M86 HydrophobicContact CG-CE 4.03Å; Y82-M86 PolarHBondContact O-N 3.06Å; Y82-M86 VanDerWaalsContact O-N 3.1Å; S83-M86 PolarHBondContact O-N 3.25Å; M86-M89 PolarHBondContact O-N 3.04Å; M86-A90 WeakPolarHBondContact O-CB 3.16Å; M86-A90 PolarHBondContact O-N 3.3Å |
| 87 | I | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.6 | -65.4 | 158.1 | 0 | 0 | 0 | 110.5 | W15 A62 T79 S83 S84 L85 M89 A90 M91 I134 | W15-I87 HydrophobicContact CH2-CD1 3.52Å; W15-I87 HydrophobicContact CH2-CG1 4.3Å; W15-I87 HydrophobicContact CH2-CG2 4.42Å; W15-I87 HydrophobicContact CZ2-CD1 3.95Å; W15-I87 HydrophobicContact CZ3-CD1 4.12Å; A62-I87 HydrophobicContact CB-CD1 4.42Å; A62-I87 HydrophobicContact CB-CG1 3.66Å; T79-I87 HydrophobicContact CG2-CD1 4.23Å; S83-I87 WeakPolarHBondContact O-CD1 3.12Å; S83-I87 VanDerWaalsContact O-CG1 3.23Å; S83-I87 WeakPolarHBondContact O-CG1 3.27Å; S83-I87 PolarHBondContact O-N 3.46Å; S84-I87 PolarHBondContact O-N 2.92Å; L85-I87 PolarHBondContact O-N 3.21Å; I87-M89 VanDerWaalsContact C-N 3.34Å; I87-M89 PolarHBondContact O-N 3.37Å; I87-A90 PolarHBondContact O-N 2.85Å; I87-M91 HydrophobicContact CG2-CE 4.3Å; I87-M91 HydrophobicContact CG2-CG 4.24Å; I87-M91 WeakPolarHBondContact O-CG 3.46Å; I87-M91 PolarHBondContact O-N 2.96Å; I87-I134 HydrophobicContact CB-CD1 4.31Å; I87-I134 HydrophobicContact CG2-CD1 3.38Å |
| 88 | M | 95.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.5 | -78.1 | -170.6 | -67.8 | 0 | 0 | 112.1 | S84 L85 M91 A92 M131 L138 N139 L142 | S84-M88 WeakPolarHBondContact O-CB 3.41Å; S84-M88 WeakPolarHBondContact O-CG 3.5Å; S84-M88 PolarHBondContact O-N 3.39Å; L85-M88 HydrophobicContact CD2-CE 3.85Å; L85-M88 HydrophobicContact CG-CE 4.5Å; L85-M88 PolarHBondContact O-N 3.49Å; M88-M91 PolarHBondContact O-N 2.96Å; M88-A92 WeakPolarHBondContact O-CB 3.2Å; M88-A92 PolarHBondContact O-N 3.42Å; M88-M131 HydrophobicContact CG-CE 4.41Å; M88-L138 HydrophobicContact CG-CD2 3.47Å; M88-L138 VanDerWaalsContact CG-CD2 3.47Å; M88-L138 HydrophobicContact SD-CB 4.21Å; M88-L138 HydrophobicContact SD-CD2 3.82Å; M88-N139 HydrophobicContact CE-CB 3.83Å; M88-L142 HydrophobicContact CB-CD2 3.97Å; M88-L142 HydrophobicContact CE-CB 4.2Å; M88-L142 HydrophobicContact CE-CD2 3.71Å; M88-L142 HydrophobicContact CE-CG 4.42Å; M88-L142 HydrophobicContact CG-CD2 4.49Å; M88-L142 HydrophobicContact SD-CD2 3.75Å |
| 89 | M | 96.9 | Very high | 94 | Very high | 62 Ų | 62 | 34 Ų | 34 | 31% | 0.305 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.7 | -65.7 | -58.5 | -76.7 | 0 | 0 | 111.7 | L85 M86 I87 A92 M93 F100 | L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.39Å; L85-M89 PolarHBondContact O-N 2.94Å; M86-M89 PolarHBondContact O-N 3.04Å; I87-M89 VanDerWaalsContact C-N 3.34Å; I87-M89 PolarHBondContact O-N 3.37Å; M89-A92 PolarHBondContact O-N 3.37Å; M89-M93 WeakPolarHBondContact O-CG 3.46Å; M89-M93 PolarHBondContact O-N 2.93Å; M89-F100 HydrophobicContact CE-CE2 3.47Å; M89-F100 VanDerWaalsContact CE-CE2 3.47Å; M89-F100 HydrophobicContact CE-CZ 3.37Å; M89-F100 HydrophobicContact SD-CE2 4.25Å |
| 90 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A55 I58 L59 M86 I87 M93 K94 | A55-A90 WeakPolarHBondContact O-CB 3.5Å; I58-A90 HydrophobicContact CB-CB 4.26Å; I58-A90 HydrophobicContact CG2-CB 4.04Å; L59-A90 HydrophobicContact CB-CB 4.01Å; L59-A90 HydrophobicContact CD1-CB 4.48Å; M86-A90 WeakPolarHBondContact O-CB 3.16Å; M86-A90 PolarHBondContact O-N 3.3Å; I87-A90 PolarHBondContact O-N 2.85Å; A90-M93 PolarHBondContact O-N 3.41Å; A90-K94 WeakPolarHBondContact O-CG 3.31Å; A90-K94 PolarHBondContact O-N 3.43Å |
| 91 | M | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | 178.7 | -66.2 | -51.8 | 176.1 | 0 | 0 | 112.6 | L22 L59 I87 M88 M93 K94 L95 P127 I130 M131 | L22-M91 HydrophobicContact CD1-CE 4.37Å; L59-M91 HydrophobicContact CD1-CE 3.32Å; L59-M91 HydrophobicContact CD1-SD 4.35Å; I87-M91 HydrophobicContact CG2-CE 4.3Å; I87-M91 HydrophobicContact CG2-CG 4.24Å; I87-M91 WeakPolarHBondContact O-CG 3.46Å; I87-M91 PolarHBondContact O-N 2.96Å; M88-M91 PolarHBondContact O-N 2.96Å; M91-M93 VanDerWaalsContact C-N 3.32Å; M91-M93 PolarHBondContact O-N 3.3Å; M91-K94 PolarHBondContact O-N 3.14Å; M91-L95 VanDerWaalsContact O-CB 3.3Å; M91-L95 WeakPolarHBondContact O-CB 3.09Å; M91-L95 WeakPolarHBondContact O-CG 3.2Å; M91-L95 PolarHBondContact O-N 3.16Å; M91-P127 HydrophobicContact SD-CB 3.93Å; M91-I130 HydrophobicContact CE-CB 3.55Å; M91-I130 HydrophobicContact CE-CD1 3.51Å; M91-I130 HydrophobicContact CE-CG1 4.12Å; M91-I130 HydrophobicContact CE-CG2 3.32Å; M91-M131 HydrophobicContact CB-CG 3.97Å; M91-M131 HydrophobicContact CB-SD 3.78Å; M91-M131 HydrophobicContact CG-CG 3.97Å; M91-M131 HydrophobicContact CG-SD 3.83Å |
| 92 | A | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M88 M89 G96 M97 F100 L146 | M88-A92 WeakPolarHBondContact O-CB 3.2Å; M88-A92 PolarHBondContact O-N 3.42Å; M89-A92 PolarHBondContact O-N 3.37Å; A92-G96 PolarHBondContact O-N 2.81Å; A92-M97 HydrophobicContact CB-CB 4.14Å; A92-M97 HydrophobicContact CB-SD 4.34Å; A92-M97 PolarHBondContact O-N 3.44Å; A92-F100 HydrophobicContact CB-CD2 4.08Å; A92-F100 HydrophobicContact CB-CE2 4.43Å; A92-L146 HydrophobicContact CB-CD1 3.91Å |
| 93 | M | 97.6 | Very high | 96.1 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 15% | 0.153 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 173.3 | -70.7 | 179.4 | -172.3 | 0 | 0 | 111.9 | A55 I58 M89 A90 M91 L95 G96 F100 W103 | A55-M93 HydrophobicContact CB-CB 3.76Å; A55-M93 HydrophobicContact CB-SD 4.29Å; I58-M93 HydrophobicContact CD1-CE 3.82Å; I58-M93 HydrophobicContact CD1-SD 3.83Å; M89-M93 WeakPolarHBondContact O-CG 3.46Å; M89-M93 PolarHBondContact O-N 2.93Å; A90-M93 PolarHBondContact O-N 3.41Å; M91-M93 VanDerWaalsContact C-N 3.32Å; M91-M93 PolarHBondContact O-N 3.3Å; M93-L95 VanDerWaalsContact C-N 3.31Å; M93-L95 PolarHBondContact O-N 2.87Å; M93-G96 PolarHBondContact O-N 3.03Å; M93-G96 VanDerWaalsContact O-N 3.11Å; M93-F100 HydrophobicContact CB-CG 4.47Å; M93-F100 HydrophobicContact CE-CD1 4.01Å; M93-F100 HydrophobicContact CE-CE1 3.51Å; M93-F100 HydrophobicContact CE-CE2 4.12Å; M93-F100 HydrophobicContact CE-CZ 3.57Å; M93-F100 HydrophobicContact CG-CB 4.05Å; M93-F100 HydrophobicContact CG-CD1 3.87Å; M93-F100 HydrophobicContact CG-CD2 3.63Å; M93-F100 HydrophobicContact CG-CE1 4.24Å; M93-F100 HydrophobicContact CG-CE2 4Å; M93-F100 HydrophobicContact CG-CG 3.55Å; M93-F100 HydrophobicContact CG-CZ 4.29Å; M93-W103 PolarHBondContact O-NE1 2.87Å |
| 94 | K | 97.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 179.5 | -67 | -158.1 | 164.1 | -75.4 | 0 | 112.5 | L22 Q52 A55 A90 M91 P127 | L22-K94 HydrophobicContact CD1-CD 4.17Å; L22-K94 HydrophobicContact CD2-CD 4.19Å; Q52-K94 PolarHBondContact NE2-O 2.78Å; Q52-K94 PolarHBondContact O-NZ 3.32Å; Q52-K94 VanDerWaalsContact O-NZ 3.1Å; Q52-K94 VanDerWaalsContact OE1-CG 3.27Å; A55-K94 HydrophobicContact CB-CG 3.68Å; A90-K94 WeakPolarHBondContact O-CG 3.31Å; A90-K94 PolarHBondContact O-N 3.43Å; M91-K94 PolarHBondContact O-N 3.14Å; K94-P127 HydrophobicContact CB-CB 4.42Å; K94-P127 HydrophobicContact CB-CG 3.99Å |
| 95 | L | 97.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 34.2 Ų | 34.2 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -79.7 | -13.4 | 177 | -72.2 | 173.2 | 0 | 0 | 0 | 113.6 | M91 M93 M97 K124 P127 I128 | M91-L95 VanDerWaalsContact O-CB 3.3Å; M91-L95 WeakPolarHBondContact O-CB 3.09Å; M91-L95 WeakPolarHBondContact O-CG 3.2Å; M91-L95 PolarHBondContact O-N 3.16Å; M93-L95 VanDerWaalsContact C-N 3.31Å; M93-L95 PolarHBondContact O-N 2.87Å; L95-M97 VanDerWaalsContact C-N 3.35Å; L95-M97 HydrophobicContact CB-CG 4.07Å; L95-M97 HydrophobicContact CD1-SD 4.33Å; L95-K124 HydrophobicContact CD2-CB 4.26Å; L95-K124 HydrophobicContact CD2-CD 3.7Å; L95-K124 PolarHBondContact O-NZ 3.23Å; L95-P127 HydrophobicContact CD1-CB 4.31Å; L95-P127 HydrophobicContact CD2-CB 3.77Å; L95-P127 HydrophobicContact CD2-CG 4.25Å; L95-P127 HydrophobicContact CG-CB 3.76Å; L95-P127 HydrophobicContact CG-CG 4.49Å; L95-I128 HydrophobicContact CD2-CG1 4.14Å |
| 96 | G | 96.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 34.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A92 M93 H101 | A92-G96 PolarHBondContact O-N 2.81Å; M93-G96 PolarHBondContact O-N 3.03Å; M93-G96 VanDerWaalsContact O-N 3.11Å; G96-H101 WeakPolarHBondContact O-CA 3.35Å; G96-H101 VanDerWaalsContact O-CB 3.31Å; G96-H101 WeakPolarHBondContact O-CB 3.35Å |
| 97 | M | 96.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 33.9 Ų | 33.9 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | trans | -71.8 | 150.4 | 171.8 | -65.3 | 177.8 | 122.9 | 0 | 0 | 110.1 | A92 L95 F100 H101 | A92-M97 HydrophobicContact CB-CB 4.14Å; A92-M97 HydrophobicContact CB-SD 4.34Å; A92-M97 PolarHBondContact O-N 3.44Å; L95-M97 VanDerWaalsContact C-N 3.35Å; L95-M97 HydrophobicContact CB-CG 4.07Å; L95-M97 HydrophobicContact CD1-SD 4.33Å; M97-F100 CarbonylContact O-C 3.5Å; M97-F100 VanDerWaalsContact O-CA 3.27Å; M97-F100 WeakPolarHBondContact O-CA 3.48Å; M97-F100 WeakPolarHBondContact O-CB 3.48Å; M97-F100 PolarHBondContact O-N 3.34Å; M97-H101 PolarHBondContact O-N 2.78Å | ||
| 98 | A | 95.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 141.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H101 L146 L149 A153 | A98-H101 WeakPolarHBondContact CA-ND1 3.35Å; A98-H101 WeakPolarHBondContact CB-ND1 3.34Å; A98-L146 VanDerWaalsContact O-CD2 3.22Å; A98-L146 WeakPolarHBondContact O-CD2 3.3Å; A98-L149 HydrophobicContact CB-CB 4.03Å; A98-A153 HydrophobicContact CB-CB 4.06Å |
| 99 | P | 94.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -84.8 | 5.6 | 6.1 | 34.7 | -36.7 | 0 | 0 | 0 | 115.4 | H101 F102 | P99-H101 VanDerWaalsContact C-N 3.27Å; P99-H101 PolarHBondContact O-N 3.1Å; P99-F102 WeakPolarHBondContact O-CD2 3.39Å; P99-F102 WeakPolarHBondContact O-CE2 3.4Å |
| 100 | F | 96.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 23% | 0.232 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -87 | 18.9 | -177.8 | -52.1 | -60.3 | 0 | 0 | 0 | 114.5 | M89 A92 M93 M97 W103 | M89-F100 HydrophobicContact CE-CE2 3.47Å; M89-F100 VanDerWaalsContact CE-CE2 3.47Å; M89-F100 HydrophobicContact CE-CZ 3.37Å; M89-F100 HydrophobicContact SD-CE2 4.25Å; A92-F100 HydrophobicContact CB-CD2 4.08Å; A92-F100 HydrophobicContact CB-CE2 4.43Å; M93-F100 HydrophobicContact CB-CG 4.47Å; M93-F100 HydrophobicContact CE-CD1 4.01Å; M93-F100 HydrophobicContact CE-CE1 3.51Å; M93-F100 HydrophobicContact CE-CE2 4.12Å; M93-F100 HydrophobicContact CE-CZ 3.57Å; M93-F100 HydrophobicContact CG-CB 4.05Å; M93-F100 HydrophobicContact CG-CD1 3.87Å; M93-F100 HydrophobicContact CG-CD2 3.63Å; M93-F100 HydrophobicContact CG-CE1 4.24Å; M93-F100 HydrophobicContact CG-CE2 4Å; M93-F100 HydrophobicContact CG-CG 3.55Å; M93-F100 HydrophobicContact CG-CZ 4.29Å; M97-F100 CarbonylContact O-C 3.5Å; M97-F100 VanDerWaalsContact O-CA 3.27Å; M97-F100 WeakPolarHBondContact O-CA 3.48Å; M97-F100 WeakPolarHBondContact O-CB 3.48Å; M97-F100 PolarHBondContact O-N 3.34Å; F100-W103 PolarHBondContact O-NE1 3.05Å; F100-W103 VanDerWaalsContact O-NE1 3.14Å |
| 101 | H | 96.2 | Very high | 95.9 | Very high | 37 Ų | 37 | 40 Ų | 40 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -81.3 | -15.8 | -173.7 | 63.1 | -80 | 0 | 0 | 0 | 113.6 | G96 M97 A98 P99 W103 V104 P105 | G96-H101 WeakPolarHBondContact O-CA 3.35Å; G96-H101 VanDerWaalsContact O-CB 3.31Å; G96-H101 WeakPolarHBondContact O-CB 3.35Å; M97-H101 PolarHBondContact O-N 2.78Å; A98-H101 WeakPolarHBondContact CA-ND1 3.35Å; A98-H101 WeakPolarHBondContact CB-ND1 3.34Å; P99-H101 VanDerWaalsContact C-N 3.27Å; P99-H101 PolarHBondContact O-N 3.1Å; H101-W103 PolarHBondContact O-N 3.07Å; H101-V104 WeakPolarHBondContact O-CB 3.22Å; H101-V104 PolarHBondContact O-N 3.36Å; H101-P105 VanDerWaalsContact O-CD 3.29Å; H101-P105 WeakPolarHBondContact O-CD 3.28Å |
| 102 | F | 96 | Very high | 95.8 | Very high | 149 Ų | 149 | 41 Ų | 41 | 65% | 0.654 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -57.5 | -27.1 | -171 | -68.5 | -65.2 | 0 | 0 | 0 | 115.5 | P99 V104 | P99-F102 WeakPolarHBondContact O-CD2 3.39Å; P99-F102 WeakPolarHBondContact O-CE2 3.4Å; F102-V104 VanDerWaalsContact C-N 3.32Å |
| 103 | W | 96.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.8 | -21.7 | 177.8 | 68.1 | -93.7 | 0 | 0 | 0 | 112.7 | Y48 T51 M93 F100 H101 V107 L119 | Y48-W103 HydrophobicContact CD2-CE3 4.26Å; Y48-W103 HydrophobicContact CD2-CH2 4.21Å; Y48-W103 AromaticContact CD2-CZ3 3.69Å; Y48-W103 HydrophobicContact CD2-CZ3 3.69Å; Y48-W103 HydrophobicContact CE2-CH2 4.2Å; Y48-W103 HydrophobicContact CE2-CZ3 4.1Å; T51-W103 HydrophobicContact CG2-CB 4.06Å; T51-W103 HydrophobicContact CG2-CG 4.07Å; M93-W103 PolarHBondContact O-NE1 2.87Å; F100-W103 PolarHBondContact O-NE1 3.05Å; F100-W103 VanDerWaalsContact O-NE1 3.14Å; H101-W103 PolarHBondContact O-N 3.07Å; W103-V107 HydrophobicContact CE3-CB 4.21Å; W103-V107 HydrophobicContact CE3-CG2 3.92Å; W103-V107 WeakPolarHBondContact O-CB 3.49Å; W103-V107 WeakPolarHBondContact O-CG2 3.47Å; W103-V107 PolarHBondContact O-N 2.98Å; W103-L119 HydrophobicContact CH2-CD1 4.35Å; W103-L119 HydrophobicContact CZ3-CD1 3.94Å; W103-L119 HydrophobicContact CZ3-CD2 4.18Å; W103-L119 HydrophobicContact CZ3-CG 4.42Å |
| 104 | V | 96 | Very high | 95.6 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -49.2 | -172.7 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | H101 F102 E106 T108 L120 | H101-V104 WeakPolarHBondContact O-CB 3.22Å; H101-V104 PolarHBondContact O-N 3.36Å; F102-V104 VanDerWaalsContact C-N 3.32Å; V104-E106 PolarHBondContact O-N 3.49Å; V104-T108 HydrophobicContact CG1-CG2 4.37Å; V104-T108 WeakPolarHBondContact O-CB 3.45Å; V104-T108 VanDerWaalsContact O-CG2 3.28Å; V104-T108 WeakPolarHBondContact O-CG2 3.46Å; V104-T108 PolarHBondContact O-N 3.19Å; V104-T108 PolarHBondContact O-OG1 3.45Å; V104-L120 HydrophobicContact CG1-CD2 4.12Å |
| 105 | P | 94.8 | Very high | 95.4 | Very high | 76 Ų | 76 | 51 Ų | 51 | 49% | 0.494 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.9 | -23.6 | 35.1 | 0 | 0 | 0 | 112.6 | H101 T108 Q109 | H101-P105 VanDerWaalsContact O-CD 3.29Å; H101-P105 WeakPolarHBondContact O-CD 3.28Å; P105-T108 PolarHBondContact O-OG1 3.23Å; P105-Q109 WeakPolarHBondContact O-CB 3.2Å; P105-Q109 PolarHBondContact O-N 3.1Å |
| 106 | E | 94.5 | Very high | 95.4 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 40% | 0.397 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.1 | -42.8 | -176.3 | -58.3 | -176 | 132.3 | 0 | 0 | 112.1 | K47 V104 G110 | K47-E106 HydrophobicContact CD-CB 4.38Å; K47-E106 WeakPolarHBondContact CD-OE2 3.22Å; K47-E106 VanDerWaalsContact CE-OE2 3.27Å; K47-E106 WeakPolarHBondContact CE-OE2 3.38Å; K47-E106 IonicContact NZ-OE1 3Å; K47-E106 PolarHBondContact NZ-OE1 3.33Å; K47-E106 IonicContact NZ-OE2 2.91Å; K47-E106 PolarHBondContact NZ-OE2 2.92Å; V104-E106 PolarHBondContact O-N 3.49Å; E106-G110 PolarHBondContact O-N 2.95Å |
| 107 | V | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.2 | -38.9 | 180 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L33 A44 K47 W103 T111 L119 | L33-V107 HydrophobicContact CD1-CG1 4.45Å; L33-V107 HydrophobicContact CD2-CG1 4.02Å; A44-V107 HydrophobicContact CB-CG2 4.45Å; A44-V107 WeakPolarHBondContact O-CG2 3.5Å; K47-V107 HydrophobicContact CB-CG2 4.39Å; W103-V107 HydrophobicContact CE3-CB 4.21Å; W103-V107 HydrophobicContact CE3-CG2 3.92Å; W103-V107 WeakPolarHBondContact O-CB 3.49Å; W103-V107 WeakPolarHBondContact O-CG2 3.47Å; W103-V107 PolarHBondContact O-N 2.98Å; V107-T111 WeakPolarHBondContact O-CG2 3.36Å; V107-T111 PolarHBondContact O-OG1 3.21Å; V107-L119 HydrophobicContact CB-CD2 4.43Å; V107-L119 HydrophobicContact CG1-CD1 4.23Å; V107-L119 HydrophobicContact CG1-CD2 3.95Å |
| 108 | T | 95.6 | Very high | 95.4 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 176.7 | 52.3 | 0 | 0 | 0 | 0 | 112 | V104 P105 L119 L120 | V104-T108 HydrophobicContact CG1-CG2 4.37Å; V104-T108 WeakPolarHBondContact O-CB 3.45Å; V104-T108 VanDerWaalsContact O-CG2 3.28Å; V104-T108 WeakPolarHBondContact O-CG2 3.46Å; V104-T108 PolarHBondContact O-N 3.19Å; V104-T108 PolarHBondContact O-OG1 3.45Å; P105-T108 PolarHBondContact O-OG1 3.23Å; T108-L119 HydrophobicContact CG2-CD2 3.52Å; T108-L120 HydrophobicContact CG2-CD1 4.13Å; T108-L120 HydrophobicContact CG2-CD2 3.99Å; T108-L120 HydrophobicContact CG2-CG 4.07Å |
| 109 | Q | 94.8 | Very high | 95.5 | Very high | 129 Ų | 129 | 55.3 Ų | 55.3 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -73.5 | -32.6 | 179.6 | -164.6 | -176.6 | 17.4 | 0 | 0 | 113.1 | R40 P105 T111 | R40-Q109 VanDerWaalsContact NH2-NE2 3.13Å; P105-Q109 WeakPolarHBondContact O-CB 3.2Å; P105-Q109 PolarHBondContact O-N 3.1Å; Q109-T111 VanDerWaalsContact C-N 3.34Å; Q109-T111 PolarHBondContact O-N 3.04Å |
| 110 | G | 91.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -79.1 | -10.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S41 E106 | S41-G110 WeakPolarHBondContact CA-O 3.36Å; S41-G110 WeakPolarHBondContact CB-O 3.27Å; E106-G110 PolarHBondContact O-N 2.95Å |
| 111 | T | 94.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -121.6 | 157.5 | -167.6 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | L33 A44 V107 Q109 S115 | L33-T111 HydrophobicContact CB-CG2 4.11Å; L33-T111 HydrophobicContact CD2-CG2 3.72Å; A44-T111 HydrophobicContact CB-CG2 3.9Å; V107-T111 WeakPolarHBondContact O-CG2 3.36Å; V107-T111 PolarHBondContact O-OG1 3.21Å; Q109-T111 VanDerWaalsContact C-N 3.34Å; Q109-T111 PolarHBondContact O-N 3.04Å; T111-S115 WeakPolarHBondContact CB-OG 3.42Å; T111-S115 PolarHBondContact OG1-OG 3.12Å |
| 112 | P | 94.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | trans | -61.8 | 153.3 | 178.6 | 23.7 | -32.8 | 0 | 0 | 0 | 112.2 | T114 S115 G116 | P112-T114 PolarHBondContact O-N 3.16Å; P112-S115 WeakPolarHBondContact CD-OG 3.39Å; P112-S115 WeakPolarHBondContact CG-OG 3.41Å; P112-S115 PolarHBondContact O-N 3.25Å; P112-S115 PolarHBondContact O-OG 3.28Å; P112-G116 PolarHBondContact O-N 2.76Å | ||
| 113 | L | 95.3 | Very high | 95.6 | Very high | 166 Ų | 166 | 53.2 Ų | 53.2 | 87% | 0.869 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -51.3 | -36 | -178.8 | -72.9 | 161.9 | 0 | 0 | 0 | 113.4 | G116 L117 | L113-G116 PolarHBondContact O-N 2.94Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 PolarHBondContact O-N 3.47Å |
| 114 | T | 95.4 | Very high | 95.6 | Very high | 84 Ų | 84 | 54.3 Ų | 54.3 | 52% | 0.515 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 179.2 | 53 | 0 | 0 | 0 | 0 | 113.3 | P112 L118 | P112-T114 PolarHBondContact O-N 3.16Å; T114-L118 WeakPolarHBondContact O-CG 3.42Å; T114-L118 PolarHBondContact O-N 2.97Å |
| 115 | S | 94.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.3 | -36.5 | 173.3 | 56 | 0 | 0 | 0 | 0 | 111.2 | V32 T111 P112 L117 L118 L119 | V32-S115 WeakPolarHBondContact O-CB 3.33Å; T111-S115 WeakPolarHBondContact CB-OG 3.42Å; T111-S115 PolarHBondContact OG1-OG 3.12Å; P112-S115 WeakPolarHBondContact CD-OG 3.39Å; P112-S115 WeakPolarHBondContact CG-OG 3.41Å; P112-S115 PolarHBondContact O-N 3.25Å; P112-S115 PolarHBondContact O-OG 3.28Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 2.95Å; S115-L118 PolarHBondContact O-N 2.93Å; S115-L119 WeakPolarHBondContact O-CB 3.4Å; S115-L119 PolarHBondContact O-N 2.88Å |
| 116 | G | 95.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 54 Ų | 54 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P112 L113 L118 L119 L120 | P112-G116 PolarHBondContact O-N 2.76Å; L113-G116 PolarHBondContact O-N 2.94Å; G116-L118 PolarHBondContact O-N 3.43Å; G116-L119 WeakPolarHBondContact O-CB 3.48Å; G116-L119 PolarHBondContact O-N 3.35Å; G116-L120 WeakPolarHBondContact O-CG 3.32Å; G116-L120 PolarHBondContact O-N 3.2Å |
| 117 | L | 96.9 | Very high | 95.7 | Very high | 111 Ų | 111 | 50.1 Ų | 50.1 | 58% | 0.581 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.3 | -49.6 | 174.1 | 179.8 | 68.7 | 0 | 0 | 0 | 111.4 | L113 S115 L119 L120 T121 | L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 PolarHBondContact O-N 3.47Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 2.95Å; L117-L119 VanDerWaalsContact C-N 3.32Å; L117-L119 PolarHBondContact O-N 2.56Å; L117-L120 PolarHBondContact O-N 3.26Å; L117-T121 HydrophobicContact CD1-CG2 4.18Å; L117-T121 WeakPolarHBondContact O-CB 3.48Å; L117-T121 PolarHBondContact O-N 3.47Å; L117-T121 PolarHBondContact O-OG1 3.12Å |
| 118 | L | 97.1 | Very high | 95.7 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 31% | 0.314 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 178.8 | -69.9 | 169.1 | 0 | 0 | 0 | 112.4 | F29 V32 T114 S115 G116 W122 Q123 | F29-L118 HydrophobicContact CE2-CB 3.72Å; F29-L118 HydrophobicContact CZ-CB 4.25Å; V32-L118 HydrophobicContact CG1-CD1 4.05Å; T114-L118 WeakPolarHBondContact O-CG 3.42Å; T114-L118 PolarHBondContact O-N 2.97Å; S115-L118 PolarHBondContact O-N 2.93Å; G116-L118 PolarHBondContact O-N 3.43Å; L118-W122 HydrophobicContact CD2-CB 4.29Å; L118-W122 WeakPolarHBondContact O-CA 2.9Å; L118-W122 VanDerWaalsContact O-CB 3.31Å; L118-W122 WeakPolarHBondContact O-CB 3.16Å; L118-W122 PolarHBondContact O-N 3.06Å; L118-Q123 PolarHBondContact O-N 3.39Å |
| 119 | L | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 175.4 | -174.4 | 86.6 | 0 | 0 | 0 | 111.5 | F29 Y48 W103 V107 T108 S115 G116 L117 Q123 | F29-L119 HydrophobicContact CD1-CD1 4.44Å; F29-L119 HydrophobicContact CE1-CB 4.19Å; F29-L119 HydrophobicContact CE1-CD1 3.46Å; F29-L119 VanDerWaalsContact CE1-CD1 3.46Å; F29-L119 HydrophobicContact CE1-CG 4.47Å; F29-L119 HydrophobicContact CZ-CB 3.88Å; F29-L119 HydrophobicContact CZ-CD1 4.03Å; Y48-L119 HydrophobicContact CD2-CD1 3.9Å; Y48-L119 HydrophobicContact CE2-CD1 3.65Å; W103-L119 HydrophobicContact CH2-CD1 4.35Å; W103-L119 HydrophobicContact CZ3-CD1 3.94Å; W103-L119 HydrophobicContact CZ3-CD2 4.18Å; W103-L119 HydrophobicContact CZ3-CG 4.42Å; V107-L119 HydrophobicContact CB-CD2 4.43Å; V107-L119 HydrophobicContact CG1-CD1 4.23Å; V107-L119 HydrophobicContact CG1-CD2 3.95Å; T108-L119 HydrophobicContact CG2-CD2 3.52Å; S115-L119 WeakPolarHBondContact O-CB 3.4Å; S115-L119 PolarHBondContact O-N 2.88Å; G116-L119 WeakPolarHBondContact O-CB 3.48Å; G116-L119 PolarHBondContact O-N 3.35Å; L117-L119 VanDerWaalsContact C-N 3.32Å; L117-L119 PolarHBondContact O-N 2.56Å; L119-Q123 WeakPolarHBondContact O-CB 3.3Å |
| 120 | L | 96.8 | Very high | 95.7 | Very high | 91 Ų | 91 | 48 Ų | 48 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -79.9 | -20.7 | -174 | -66.5 | 176.6 | 0 | 0 | 0 | 113.2 | V104 T108 G116 L117 K124 | V104-L120 HydrophobicContact CG1-CD2 4.12Å; T108-L120 HydrophobicContact CG2-CD1 4.13Å; T108-L120 HydrophobicContact CG2-CD2 3.99Å; T108-L120 HydrophobicContact CG2-CG 4.07Å; G116-L120 WeakPolarHBondContact O-CG 3.32Å; G116-L120 PolarHBondContact O-N 3.2Å; L117-L120 PolarHBondContact O-N 3.26Å; L120-K124 WeakPolarHBondContact O-CG 3.42Å |
| 121 | T | 96.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -65.7 | -178.5 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | L117 K124 | L117-T121 HydrophobicContact CD1-CG2 4.18Å; L117-T121 WeakPolarHBondContact O-CB 3.48Å; L117-T121 PolarHBondContact O-N 3.47Å; L117-T121 PolarHBondContact O-OG1 3.12Å; T121-K124 PolarHBondContact O-N 2.88Å |
| 122 | W | 96.3 | Very high | 95.8 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | -169.8 | -163.2 | -88.4 | 0 | 0 | 0 | 113 | I2 F3 T6 L118 K124 L125 | I2-W122 VanDerWaalsContact CG2-CD1 3.43Å; F3-W122 HydrophobicContact CB-CZ2 4.48Å; F3-W122 AromaticContact CD2-CH2 3.76Å; F3-W122 HydrophobicContact CD2-CH2 3.76Å; F3-W122 AromaticContact CD2-CZ2 3.65Å; F3-W122 HydrophobicContact CD2-CZ2 3.65Å; F3-W122 HydrophobicContact CE2-CH2 4.19Å; F3-W122 HydrophobicContact CE2-CZ2 4.4Å; T6-W122 VanDerWaalsContact CG2-NE1 3.3Å; T6-W122 PolarHBondContact OG1-NE1 3.23Å; L118-W122 HydrophobicContact CD2-CB 4.29Å; L118-W122 WeakPolarHBondContact O-CA 2.9Å; L118-W122 VanDerWaalsContact O-CB 3.31Å; L118-W122 WeakPolarHBondContact O-CB 3.16Å; L118-W122 PolarHBondContact O-N 3.06Å; W122-K124 PolarHBondContact O-N 3.47Å; W122-K124 VanDerWaalsContact O-N 3.12Å; W122-L125 HydrophobicContact CD2-CD1 4.19Å; W122-L125 HydrophobicContact CE3-CD1 4.05Å; W122-L125 HydrophobicContact CZ3-CD1 4.27Å; W122-L125 PolarHBondContact O-N 3.48Å |
| 123 | Q | 96.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -13 | -178.8 | -64.4 | -62.4 | -27.7 | 0 | 0 | 113.5 | F29 Y48 L118 L119 P127 | F29-Q123 HydrophobicContact CD1-CG 4.31Å; F29-Q123 HydrophobicContact CD2-CG 4.48Å; F29-Q123 HydrophobicContact CE1-CG 4.18Å; F29-Q123 HydrophobicContact CE2-CG 4.37Å; F29-Q123 HydrophobicContact CG-CG 4.45Å; F29-Q123 HydrophobicContact CZ-CG 4.22Å; Y48-Q123 PolarHBondContact OH-OE1 3.02Å; L118-Q123 PolarHBondContact O-N 3.39Å; L119-Q123 WeakPolarHBondContact O-CB 3.3Å; Q123-P127 WeakPolarHBondContact O-CD 3.38Å |
| 124 | K | 96.1 | Very high | 95.6 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -81.7 | -23.9 | 177.1 | -54.6 | -58 | 179.2 | -173.2 | 0 | 112.9 | L95 L120 T121 W122 P127 I128 | L95-K124 HydrophobicContact CD2-CB 4.26Å; L95-K124 HydrophobicContact CD2-CD 3.7Å; L95-K124 PolarHBondContact O-NZ 3.23Å; L120-K124 WeakPolarHBondContact O-CG 3.42Å; T121-K124 PolarHBondContact O-N 2.88Å; W122-K124 PolarHBondContact O-N 3.47Å; W122-K124 VanDerWaalsContact O-N 3.12Å; K124-P127 WeakPolarHBondContact O-CD 3.46Å; K124-I128 HydrophobicContact CB-CD1 4.06Å; K124-I128 WeakPolarHBondContact O-CB 3.3Å; K124-I128 WeakPolarHBondContact O-CD1 3.48Å; K124-I128 WeakPolarHBondContact O-CG1 3.48Å; K124-I128 PolarHBondContact O-N 2.92Å; K124-I128 VanDerWaalsContact O-N 3.17Å |
| 125 | L | 96.8 | Very high | 95.4 | Very high | 94 Ų | 94 | 49.2 Ų | 49.2 | 49% | 0.492 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.5 | -49.8 | -172.1 | -67 | 174.1 | 0 | 0 | 0 | 113 | W122 I128 S129 | W122-L125 HydrophobicContact CD2-CD1 4.19Å; W122-L125 HydrophobicContact CE3-CD1 4.05Å; W122-L125 HydrophobicContact CZ3-CD1 4.27Å; W122-L125 PolarHBondContact O-N 3.48Å; L125-I128 PolarHBondContact O-N 2.99Å; L125-S129 PolarHBondContact O-N 3.44Å |
| 126 | A | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -44.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T6 T9 L22 I128 S129 I130 | T6-A126 HydrophobicContact CG2-CB 4.11Å; T9-A126 HydrophobicContact CG2-CB 4.1Å; T9-A126 VanDerWaalsContact OG1-CB 3.28Å; T9-A126 WeakPolarHBondContact OG1-CB 3.18Å; L22-A126 HydrophobicContact CD2-CB 3.91Å; A126-I128 VanDerWaalsContact C-N 3.33Å; A126-I128 PolarHBondContact O-N 3.31Å; A126-S129 PolarHBondContact O-N 3.27Å; A126-S129 PolarHBondContact O-OG 3.46Å; A126-I130 WeakPolarHBondContact O-CG1 3.34Å; A126-I130 PolarHBondContact O-N 3.05Å |
| 127 | P | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 174 | -24.1 | 34.5 | 0 | 0 | 0 | 113 | L22 M91 K94 L95 Q123 K124 I130 M131 | L22-P127 HydrophobicContact CD2-CG 4.48Å; M91-P127 HydrophobicContact SD-CB 3.93Å; K94-P127 HydrophobicContact CB-CB 4.42Å; K94-P127 HydrophobicContact CB-CG 3.99Å; L95-P127 HydrophobicContact CD1-CB 4.31Å; L95-P127 HydrophobicContact CD2-CB 3.77Å; L95-P127 HydrophobicContact CD2-CG 4.25Å; L95-P127 HydrophobicContact CG-CB 3.76Å; L95-P127 HydrophobicContact CG-CG 4.49Å; Q123-P127 WeakPolarHBondContact O-CD 3.38Å; K124-P127 WeakPolarHBondContact O-CD 3.46Å; P127-I130 PolarHBondContact O-N 3.3Å; P127-M131 WeakPolarHBondContact O-CG 3.32Å; P127-M131 PolarHBondContact O-N 2.88Å |
| 128 | I | 96.3 | Very high | 94.6 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 49% | 0.492 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 176.3 | -69.4 | 169.4 | 0 | 0 | 0 | 111 | L95 K124 L125 A126 I130 M131 Y132 | L95-I128 HydrophobicContact CD2-CG1 4.14Å; K124-I128 HydrophobicContact CB-CD1 4.06Å; K124-I128 WeakPolarHBondContact O-CB 3.3Å; K124-I128 WeakPolarHBondContact O-CD1 3.48Å; K124-I128 WeakPolarHBondContact O-CG1 3.48Å; K124-I128 PolarHBondContact O-N 2.92Å; K124-I128 VanDerWaalsContact O-N 3.17Å; L125-I128 PolarHBondContact O-N 2.99Å; A126-I128 VanDerWaalsContact C-N 3.33Å; A126-I128 PolarHBondContact O-N 3.31Å; I128-I130 VanDerWaalsContact C-N 3.27Å; I128-I130 PolarHBondContact O-N 2.93Å; I128-M131 PolarHBondContact O-N 3.03Å; I128-Y132 WeakPolarHBondContact O-CB 3.31Å; I128-Y132 PolarHBondContact O-N 3.27Å |
| 129 | S | 95.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 178.6 | 69.5 | 0 | 0 | 0 | 0 | 112 | L125 A126 Q133 | L125-S129 PolarHBondContact O-N 3.44Å; A126-S129 PolarHBondContact O-N 3.27Å; A126-S129 PolarHBondContact O-OG 3.46Å; S129-Q133 WeakPolarHBondContact O-CG 3.41Å; S129-Q133 PolarHBondContact O-N 3.46Å |
| 130 | I | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.9 | -45.8 | 177.2 | -61 | 166.1 | 0 | 0 | 0 | 110.7 | W15 L22 M75 M91 A126 P127 I128 Y132 Q133 I134 | W15-I130 HydrophobicContact CH2-CG2 4.4Å; W15-I130 HydrophobicContact CZ3-CG2 4.2Å; L22-I130 HydrophobicContact CD1-CD1 3.64Å; L22-I130 HydrophobicContact CD2-CD1 4.21Å; L22-I130 HydrophobicContact CG-CD1 4.02Å; M75-I130 HydrophobicContact CE-CG2 3.88Å; M91-I130 HydrophobicContact CE-CB 3.55Å; M91-I130 HydrophobicContact CE-CD1 3.51Å; M91-I130 HydrophobicContact CE-CG1 4.12Å; M91-I130 HydrophobicContact CE-CG2 3.32Å; A126-I130 WeakPolarHBondContact O-CG1 3.34Å; A126-I130 PolarHBondContact O-N 3.05Å; P127-I130 PolarHBondContact O-N 3.3Å; I128-I130 VanDerWaalsContact C-N 3.27Å; I128-I130 PolarHBondContact O-N 2.93Å; I130-Y132 PolarHBondContact O-N 2.97Å; I130-Q133 PolarHBondContact O-N 3.01Å; I130-Q133 VanDerWaalsContact O-N 3.12Å; I130-I134 WeakPolarHBondContact O-CG1 3.23Å; I130-I134 PolarHBondContact O-N 3.34Å; I130-I134 VanDerWaalsContact O-N 3.16Å |
| 131 | M | 94.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 53 Ų | 53 | 15% | 0.148 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 176.1 | -74.9 | -65.7 | -70.5 | 0 | 0 | 112.3 | M88 M91 P127 I128 I134 S135 L138 L143 | M88-M131 HydrophobicContact CG-CE 4.41Å; M91-M131 HydrophobicContact CB-CG 3.97Å; M91-M131 HydrophobicContact CB-SD 3.78Å; M91-M131 HydrophobicContact CG-CG 3.97Å; M91-M131 HydrophobicContact CG-SD 3.83Å; P127-M131 WeakPolarHBondContact O-CG 3.32Å; P127-M131 PolarHBondContact O-N 2.88Å; I128-M131 PolarHBondContact O-N 3.03Å; M131-I134 HydrophobicContact SD-CD1 4.49Å; M131-S135 WeakPolarHBondContact O-CA 3.47Å; M131-S135 WeakPolarHBondContact O-CB 3.47Å; M131-S135 PolarHBondContact O-N 2.87Å; M131-S135 VanDerWaalsContact O-N 3.13Å; M131-L138 HydrophobicContact CE-CD1 3.48Å; M131-L138 VanDerWaalsContact CE-CD1 3.48Å; M131-L138 HydrophobicContact CE-CD2 4.09Å; M131-L138 HydrophobicContact CE-CG 4.46Å; M131-L138 HydrophobicContact SD-CD1 4.35Å; M131-L138 HydrophobicContact SD-CD2 4.29Å; M131-L143 HydrophobicContact CE-CD1 3.9Å |
| 132 | Y | 93.9 | Very high | 94 | Very high | 181 Ų | 181 | 51.2 Ų | 51.2 | 71% | 0.71 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.7 | -48.2 | 174.7 | 177.8 | -99.7 | 0 | 0 | 0 | 111.9 | I128 I130 I134 S135 | I128-Y132 WeakPolarHBondContact O-CB 3.31Å; I128-Y132 PolarHBondContact O-N 3.27Å; I130-Y132 PolarHBondContact O-N 2.97Å; Y132-I134 VanDerWaalsContact C-N 3.31Å; Y132-I134 PolarHBondContact O-N 3.32Å; Y132-S135 WeakPolarHBondContact O-CB 3.36Å; Y132-S135 PolarHBondContact O-N 3.19Å; Y132-S135 PolarHBondContact O-OG 3.4Å |
| 133 | Q | 92.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -35.2 | -179 | -72.8 | 173.4 | -1 | 0 | 0 | 113.2 | M75 N77 S129 I130 | M75-Q133 HydrophobicContact CE-CB 4.02Å; N77-Q133 PolarHBondContact OD1-O 3.33Å; S129-Q133 WeakPolarHBondContact O-CG 3.41Å; S129-Q133 PolarHBondContact O-N 3.46Å; I130-Q133 PolarHBondContact O-N 3.01Å; I130-Q133 VanDerWaalsContact O-N 3.12Å |
| 134 | I | 92.1 | Very high | 94 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.7 | -179.2 | 67 | -177 | 0 | 0 | 0 | 114.2 | W15 M75 I87 I130 M131 Y132 P136 S137 L138 | W15-I134 HydrophobicContact CH2-CD1 4.4Å; W15-I134 HydrophobicContact CH2-CG2 3.71Å; W15-I134 HydrophobicContact CZ2-CG2 3.74Å; M75-I134 HydrophobicContact CE-CG2 3.65Å; I87-I134 HydrophobicContact CB-CD1 4.31Å; I87-I134 HydrophobicContact CG2-CD1 3.38Å; I130-I134 WeakPolarHBondContact O-CG1 3.23Å; I130-I134 PolarHBondContact O-N 3.34Å; I130-I134 VanDerWaalsContact O-N 3.16Å; M131-I134 HydrophobicContact SD-CD1 4.49Å; Y132-I134 VanDerWaalsContact C-N 3.31Å; Y132-I134 PolarHBondContact O-N 3.32Å; I134-P136 VanDerWaalsContact C-N 3.31Å; I134-P136 WeakPolarHBondContact O-CD 3.4Å; I134-P136 VanDerWaalsContact O-N 3.1Å; I134-S137 PolarHBondContact O-N 3.46Å; I134-S137 PolarHBondContact O-OG 3.03Å; I134-L138 HydrophobicContact CD1-CD2 3.97Å; I134-L138 HydrophobicContact CG1-CD2 3.96Å; I134-L138 HydrophobicContact CG1-CG 4.34Å |
| 135 | S | 92.3 | Very high | 94 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -50.3 | -36.7 | -170.1 | 58.1 | 0 | 0 | 0 | 0 | 115.7 | M131 Y132 S137 L138 | M131-S135 WeakPolarHBondContact O-CA 3.47Å; M131-S135 WeakPolarHBondContact O-CB 3.47Å; M131-S135 PolarHBondContact O-N 2.87Å; M131-S135 VanDerWaalsContact O-N 3.13Å; Y132-S135 WeakPolarHBondContact O-CB 3.36Å; Y132-S135 PolarHBondContact O-N 3.19Å; Y132-S135 PolarHBondContact O-OG 3.4Å; S135-S137 VanDerWaalsContact C-N 3.26Å; S135-S137 PolarHBondContact O-N 3.5Å; S135-L138 PolarHBondContact O-N 3Å |
| 136 | P | 90.5 | Very high | 94 | Very high | 89 Ų | 89 | 51.6 Ų | 51.6 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -68.9 | -22 | 179.7 | -20.5 | 35.7 | 0 | 0 | 0 | 114.2 | N77 I134 | N77-P136 HydrophobicContact CB-CB 4.4Å; N77-P136 HydrophobicContact CB-CG 4.23Å; I134-P136 VanDerWaalsContact C-N 3.31Å; I134-P136 WeakPolarHBondContact O-CD 3.4Å; I134-P136 VanDerWaalsContact O-N 3.1Å |
| 137 | S | 88.2 | Confident | 94.1 | Very high | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -95.2 | 0.2 | -179.1 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | N77 T79 S84 I134 S135 | N77-S137 VanDerWaalsContact O-CB 3.3Å; N77-S137 WeakPolarHBondContact O-CB 3.31Å; T79-S137 WeakPolarHBondContact OG1-CB 3.32Å; T79-S137 PolarHBondContact OG1-OG 3.48Å; S84-S137 WeakPolarHBondContact CB-O 3.48Å; S84-S137 PolarHBondContact OG-O 3.33Å; I134-S137 PolarHBondContact O-N 3.46Å; I134-S137 PolarHBondContact O-OG 3.03Å; S135-S137 VanDerWaalsContact C-N 3.26Å; S135-S137 PolarHBondContact O-N 3.5Å |
| 138 | L | 90 | Very high | 94.2 | Very high | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -75.1 | 138 | -177.8 | -64.9 | 177 | 0 | 0 | 0 | 110.7 | M88 M131 I134 S135 V140 L143 | M88-L138 HydrophobicContact CG-CD2 3.47Å; M88-L138 VanDerWaalsContact CG-CD2 3.47Å; M88-L138 HydrophobicContact SD-CB 4.21Å; M88-L138 HydrophobicContact SD-CD2 3.82Å; M131-L138 HydrophobicContact CE-CD1 3.48Å; M131-L138 VanDerWaalsContact CE-CD1 3.48Å; M131-L138 HydrophobicContact CE-CD2 4.09Å; M131-L138 HydrophobicContact CE-CG 4.46Å; M131-L138 HydrophobicContact SD-CD1 4.35Å; M131-L138 HydrophobicContact SD-CD2 4.29Å; I134-L138 HydrophobicContact CD1-CD2 3.97Å; I134-L138 HydrophobicContact CG1-CD2 3.96Å; I134-L138 HydrophobicContact CG1-CG 4.34Å; S135-L138 PolarHBondContact O-N 3Å; L138-V140 PolarHBondContact O-N 3.32Å; L138-V140 VanDerWaalsContact O-N 3.12Å; L138-L143 HydrophobicContact CD1-CD2 4.44Å |
| 139 | N | 92.4 | Very high | 94.2 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | trans | -73.7 | 107.6 | 171.3 | -176.7 | -0.4 | 0 | 0 | 0 | 109.5 | M88 S141 L142 L143 | M88-N139 HydrophobicContact CE-CB 3.83Å; N139-S141 PolarHBondContact ND2-OG 3.18Å; N139-S141 PolarHBondContact O-N 3.45Å; N139-S141 PolarHBondContact OD1-N 2.97Å; N139-S141 PolarHBondContact OD1-OG 3.46Å; N139-L142 PolarHBondContact O-N 3.12Å; N139-L143 PolarHBondContact O-N 3.23Å | ||
| 140 | V | 93.1 | Very high | 94.3 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 59% | 0.594 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.1 | -36.9 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | L138 L142 L143 L144 | L138-V140 PolarHBondContact O-N 3.32Å; L138-V140 VanDerWaalsContact O-N 3.12Å; V140-L142 PolarHBondContact O-N 3.04Å; V140-L143 PolarHBondContact O-N 3.19Å; V140-L144 HydrophobicContact CG1-CD1 3.79Å; V140-L144 HydrophobicContact CG1-CG 4.16Å; V140-L144 WeakPolarHBondContact O-CB 3.49Å; V140-L144 WeakPolarHBondContact O-CG 3.28Å; V140-L144 PolarHBondContact O-N 3.45Å |
| 141 | S | 95 | Very high | 94.4 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 51% | 0.51 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | -178.6 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | N139 T145 | N139-S141 PolarHBondContact ND2-OG 3.18Å; N139-S141 PolarHBondContact O-N 3.45Å; N139-S141 PolarHBondContact OD1-N 2.97Å; N139-S141 PolarHBondContact OD1-OG 3.46Å; S141-T145 WeakPolarHBondContact O-CG2 3.3Å; S141-T145 PolarHBondContact O-N 3.28Å; S141-T145 PolarHBondContact O-OG1 3.26Å |
| 142 | L | 94.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.9 | -38.9 | 178 | -173.8 | 142 | 0 | 0 | 0 | 112 | L85 M88 N139 V140 L144 T145 L146 | L85-L142 HydrophobicContact CD2-CD1 3.67Å; M88-L142 HydrophobicContact CB-CD2 3.97Å; M88-L142 HydrophobicContact CE-CB 4.2Å; M88-L142 HydrophobicContact CE-CD2 3.71Å; M88-L142 HydrophobicContact CE-CG 4.42Å; M88-L142 HydrophobicContact CG-CD2 4.49Å; M88-L142 HydrophobicContact SD-CD2 3.75Å; N139-L142 PolarHBondContact O-N 3.12Å; V140-L142 PolarHBondContact O-N 3.04Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 2.86Å; L142-T145 WeakPolarHBondContact CA-OG1 3.34Å; L142-T145 PolarHBondContact O-N 3.05Å; L142-T145 PolarHBondContact O-OG1 3.1Å; L142-L146 HydrophobicContact CD2-CD1 3.51Å; L142-L146 HydrophobicContact CD2-CG 4.06Å; L142-L146 HydrophobicContact CG-CD1 4.48Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.31Å |
| 143 | L | 96.1 | Very high | 94.6 | Very high | 57 Ų | 57 | 59 Ų | 59 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177 | -175.4 | 66.8 | 0 | 0 | 0 | 111.1 | M131 L138 N139 V140 S147 | M131-L143 HydrophobicContact CE-CD1 3.9Å; L138-L143 HydrophobicContact CD1-CD2 4.44Å; N139-L143 PolarHBondContact O-N 3.23Å; V140-L143 PolarHBondContact O-N 3.19Å; L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-N 2.7Å; L143-S147 PolarHBondContact O-OG 2.94Å |
| 144 | L | 97.1 | Very high | 94.7 | Very high | 93 Ų | 93 | 59.7 Ų | 59.7 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 177.7 | -74.2 | 175 | 0 | 0 | 0 | 111.8 | V140 L142 L146 S147 I148 | V140-L144 HydrophobicContact CG1-CD1 3.79Å; V140-L144 HydrophobicContact CG1-CG 4.16Å; V140-L144 WeakPolarHBondContact O-CB 3.49Å; V140-L144 WeakPolarHBondContact O-CG 3.28Å; V140-L144 PolarHBondContact O-N 3.45Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 2.86Å; L144-L146 PolarHBondContact O-N 2.65Å; L144-S147 WeakPolarHBondContact CA-OG 3.49Å; L144-S147 PolarHBondContact O-N 2.92Å; L144-S147 PolarHBondContact O-OG 2.94Å; L144-I148 WeakPolarHBondContact O-CG1 3.47Å; L144-I148 PolarHBondContact O-N 3.32Å |
| 145 | T | 97.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 63.4 Ų | 63.4 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 177.7 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | S141 L142 S147 I148 L149 | S141-T145 WeakPolarHBondContact O-CG2 3.3Å; S141-T145 PolarHBondContact O-N 3.28Å; S141-T145 PolarHBondContact O-OG1 3.26Å; L142-T145 WeakPolarHBondContact CA-OG1 3.34Å; L142-T145 PolarHBondContact O-N 3.05Å; L142-T145 PolarHBondContact O-OG1 3.1Å; T145-S147 VanDerWaalsContact C-N 3.31Å; T145-S147 PolarHBondContact O-N 3.47Å; T145-I148 PolarHBondContact O-N 3.26Å; T145-L149 VanDerWaalsContact O-CB 3.28Å; T145-L149 WeakPolarHBondContact O-CB 3.35Å; T145-L149 WeakPolarHBondContact O-CD1 3.14Å; T145-L149 VanDerWaalsContact O-CG 3.22Å; T145-L149 WeakPolarHBondContact O-CG 3.33Å; T145-L149 PolarHBondContact O-N 3.45Å |
| 146 | L | 97.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 174.8 | -67.8 | 178.6 | 0 | 0 | 0 | 111.8 | A92 A98 L142 L144 S150 | A92-L146 HydrophobicContact CB-CD1 3.91Å; A98-L146 VanDerWaalsContact O-CD2 3.22Å; A98-L146 WeakPolarHBondContact O-CD2 3.3Å; L142-L146 HydrophobicContact CD2-CD1 3.51Å; L142-L146 HydrophobicContact CD2-CG 4.06Å; L142-L146 HydrophobicContact CG-CD1 4.48Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.31Å; L144-L146 PolarHBondContact O-N 2.65Å; L146-S150 VanDerWaalsContact O-CB 3.27Å; L146-S150 WeakPolarHBondContact O-CB 3.38Å; L146-S150 PolarHBondContact O-N 2.91Å; L146-S150 PolarHBondContact O-OG 2.95Å |
| 147 | S | 97.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 72.5 Ų | 72.5 | 23% | 0.231 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 180 | 74.7 | 0 | 0 | 0 | 0 | 112.3 | L143 L144 T145 S150 I151 | L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-N 2.7Å; L143-S147 PolarHBondContact O-OG 2.94Å; L144-S147 WeakPolarHBondContact CA-OG 3.49Å; L144-S147 PolarHBondContact O-N 2.92Å; L144-S147 PolarHBondContact O-OG 2.94Å; T145-S147 VanDerWaalsContact C-N 3.31Å; T145-S147 PolarHBondContact O-N 3.47Å; S147-S150 PolarHBondContact O-N 3.25Å; S147-S150 PolarHBondContact O-OG 3.36Å; S147-I151 WeakPolarHBondContact O-CG1 2.94Å; S147-I151 PolarHBondContact O-N 3.4Å |
| 148 | I | 97.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 75 Ų | 75 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 179.8 | -65.4 | 164.9 | 0 | 0 | 0 | 110 | L144 T145 S150 I151 M152 | L144-I148 WeakPolarHBondContact O-CG1 3.47Å; L144-I148 PolarHBondContact O-N 3.32Å; T145-I148 PolarHBondContact O-N 3.26Å; I148-S150 VanDerWaalsContact C-N 3.26Å; I148-S150 PolarHBondContact O-N 3.49Å; I148-I151 PolarHBondContact O-N 3.45Å; I148-M152 HydrophobicContact CG2-CE 3.77Å; I148-M152 HydrophobicContact CG2-CG 4.42Å; I148-M152 HydrophobicContact CG2-SD 4.09Å; I148-M152 WeakPolarHBondContact O-CG 3.44Å; I148-M152 PolarHBondContact O-N 2.91Å |
| 149 | L | 96.9 | Very high | 93.7 | Very high | 87 Ų | 87 | 77.9 Ų | 77.9 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 175.1 | -75.5 | 168.7 | 0 | 0 | 0 | 111.6 | A98 T145 M152 A153 | A98-L149 HydrophobicContact CB-CB 4.03Å; T145-L149 VanDerWaalsContact O-CB 3.28Å; T145-L149 WeakPolarHBondContact O-CB 3.35Å; T145-L149 WeakPolarHBondContact O-CD1 3.14Å; T145-L149 VanDerWaalsContact O-CG 3.22Å; T145-L149 WeakPolarHBondContact O-CG 3.33Å; T145-L149 PolarHBondContact O-N 3.45Å; L149-M152 PolarHBondContact O-N 3.33Å; L149-A153 VanDerWaalsContact O-CB 3.3Å; L149-A153 WeakPolarHBondContact O-CB 3.23Å; L149-A153 PolarHBondContact O-N 2.96Å |
| 150 | S | 96.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 79.4 Ų | 79.4 | 26% | 0.259 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 179.4 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | L146 S147 I148 G154 | L146-S150 VanDerWaalsContact O-CB 3.27Å; L146-S150 WeakPolarHBondContact O-CB 3.38Å; L146-S150 PolarHBondContact O-N 2.91Å; L146-S150 PolarHBondContact O-OG 2.95Å; S147-S150 PolarHBondContact O-N 3.25Å; S147-S150 PolarHBondContact O-OG 3.36Å; I148-S150 VanDerWaalsContact C-N 3.26Å; I148-S150 PolarHBondContact O-N 3.49Å; S150-G154 PolarHBondContact O-N 3.31Å |
| 151 | I | 97.6 | Very high | 93.8 | Very high | 118 Ų | 118 | 78.3 Ų | 78.3 | 61% | 0.605 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.6 | -46.7 | 174.4 | -65.2 | 164.7 | 0 | 0 | 0 | 109.8 | S147 I148 S155 | S147-I151 WeakPolarHBondContact O-CG1 2.94Å; S147-I151 PolarHBondContact O-N 3.4Å; I148-I151 PolarHBondContact O-N 3.45Å; I151-S155 WeakPolarHBondContact O-CB 3.27Å; I151-S155 PolarHBondContact O-N 3.29Å; I151-S155 PolarHBondContact O-OG 3.28Å |
| 152 | M | 96.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 78.6 Ų | 78.6 | 56% | 0.562 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.2 | -52.2 | 178.2 | -73.5 | 179.9 | 172.5 | 0 | 0 | 111.2 | I148 L149 S155 W156 | I148-M152 HydrophobicContact CG2-CE 3.77Å; I148-M152 HydrophobicContact CG2-CG 4.42Å; I148-M152 HydrophobicContact CG2-SD 4.09Å; I148-M152 WeakPolarHBondContact O-CG 3.44Å; I148-M152 PolarHBondContact O-N 2.91Å; L149-M152 PolarHBondContact O-N 3.33Å; M152-S155 PolarHBondContact O-N 2.97Å; M152-S155 PolarHBondContact O-OG 3.22Å; M152-W156 PolarHBondContact O-N 3.32Å; M152-W156 VanDerWaalsContact O-N 3.07Å |
| 153 | A | 95.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 81.4 Ų | 81.4 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -56 | -59.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A98 L149 S155 W156 G157 | A98-A153 HydrophobicContact CB-CB 4.06Å; L149-A153 VanDerWaalsContact O-CB 3.3Å; L149-A153 WeakPolarHBondContact O-CB 3.23Å; L149-A153 PolarHBondContact O-N 2.96Å; A153-S155 PolarHBondContact O-N 2.84Å; A153-W156 PolarHBondContact O-N 3.38Å; A153-G157 CarbonylContact O-C 3.56Å; A153-G157 PolarHBondContact O-N 2.87Å |
| 154 | G | 93.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 83.1 Ų | 83.1 | 68% | 0.68 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -21.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | S150 | S150-G154 PolarHBondContact O-N 3.31Å |
| 155 | S | 94.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 82.4 Ų | 82.4 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -83 | -33.1 | 175.6 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | I151 M152 A153 | I151-S155 WeakPolarHBondContact O-CB 3.27Å; I151-S155 PolarHBondContact O-N 3.29Å; I151-S155 PolarHBondContact O-OG 3.28Å; M152-S155 PolarHBondContact O-N 2.97Å; M152-S155 PolarHBondContact O-OG 3.22Å; A153-S155 PolarHBondContact O-N 2.84Å |
| 156 | W | 90.3 | Very high | 92.9 | Very high | 241 Ų | 241 | 82.9 Ų | 82.9 | 91% | 0.913 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -101.7 | -17.8 | -173.2 | -74 | 24 | 0 | 0 | 0 | 113.3 | M152 A153 | M152-W156 PolarHBondContact O-N 3.32Å; M152-W156 VanDerWaalsContact O-N 3.07Å; A153-W156 PolarHBondContact O-N 3.38Å |
| 157 | G | 61.8 | Low | 92.5 | Very high | 100 Ų | 100 | 89.4 Ų | 89.4 | 100% | 1.031 | 54% | 0.537 | S | S | * | . | trans | 131.9 | 0 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A153 | A153-G157 CarbonylContact O-C 3.56Å; A153-G157 PolarHBondContact O-N 2.87Å |
Retrieved 157 of 157 residues in 289.7 ms
(Link to these results)