| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.9 | Very low | 78.7 | Confident | 198 Ų | 198 | 88.1 Ų | 88.1 | 98% | 0.975 | 47% | 0.474 | S | S | * | . | 0 | 123.1 | 0 | -83.6 | -177.9 | -111.8 | 0 | 0 | 107.7 | I3 E162 | M1-I3 PolarHBondContact O-N 3.38Å; M1-E162 WeakPolarHBondContact CE-OE1 3.44Å | |||
| 2 | T | 55.7 | Low | 79.5 | Confident | 140 Ų | 140 | 88.8 Ų | 88.8 | 86% | 0.859 | 49% | 0.487 | S | S | * | . | trans | -75.1 | 101.7 | 168 | 42 | 0 | 0 | 0 | 0 | 107.1 | E4 | T2-E4 PolarHBondContact O-N 2.85Š| ||
| 3 | I | 69 | Low | 80.4 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 33% | 0.333 | 46% | 0.457 | S | S | . | . | trans | -71.2 | 110.4 | 170.3 | -57.9 | -167.7 | 0 | 0 | 0 | 106 | M1 L5 L165 I169 | M1-I3 PolarHBondContact O-N 3.38Å; I3-L5 PolarHBondContact O-N 2.64Å; I3-L165 HydrophobicContact CB-CD2 4.3Å; I3-L165 HydrophobicContact CD1-CD2 3.51Å; I3-L165 HydrophobicContact CD1-CG 4.17Å; I3-L165 HydrophobicContact CG1-CD2 4.07Å; I3-I169 HydrophobicContact CG2-CD1 3.97Å | ||
| 4 | E | 77.3 | Confident | 81.3 | Confident | 181 Ų | 181 | 77.3 Ų | 77.3 | 85% | 0.846 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 120 | 171.5 | -74.5 | -175.9 | 173.8 | 0 | 0 | 108.8 | T2 | T2-E4 PolarHBondContact O-N 2.85Š|
| 5 | L | 85.3 | Confident | 82.1 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 132.8 | -178.8 | -65.7 | 176.7 | 0 | 0 | 0 | 109.9 | I3 H104 F107 I169 I173 | I3-L5 PolarHBondContact O-N 2.64Å; L5-H104 WeakPolarHBondContact CB-NE2 3.36Å; L5-H104 WeakPolarHBondContact CD1-O 3.21Å; L5-H104 PolarHBondContact O-CE1 3.2Å; L5-F107 HydrophobicContact CD1-CB 3.48Å; L5-F107 VanDerWaalsContact CD1-CB 3.48Å; L5-F107 HydrophobicContact CD1-CD1 4.4Å; L5-F107 HydrophobicContact CD1-CG 4.17Å; L5-F107 HydrophobicContact CD2-CD1 4.31Å; L5-I169 HydrophobicContact CD2-CD1 3.39Å; L5-I169 HydrophobicContact CD2-CG1 3.63Å; L5-I173 HydrophobicContact CB-CD1 4.23Å; L5-I173 HydrophobicContact CD1-CD1 4.19Å; L5-I173 HydrophobicContact CD2-CD1 3.86Å; L5-I173 HydrophobicContact CG-CD1 4.33Å |
| 6 | P | 88.9 | Confident | 82.7 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 156.1 | 175.2 | 4.2 | -2.2 | 0 | 0 | 0 | 111.7 | H104 I169 I173 L174 | P6-H104 PolarHBondContact O-NE2 2.9Å; P6-I169 HydrophobicContact CG-CG2 4.11Å; P6-I173 HydrophobicContact CB-CG2 3.96Å; P6-I173 HydrophobicContact CG-CG2 3.69Å; P6-I173 WeakPolarHBondContact O-CG2 3.45Å; P6-L174 HydrophobicContact CB-CD2 3.84Å; P6-L174 HydrophobicContact CG-CD2 3.42Å; P6-L174 VanDerWaalsContact CG-CD2 3.42Å; P6-L174 HydrophobicContact CG-CG 4.32Å |
| 7 | E | 89.5 | Confident | 83.4 | Confident | 175 Ų | 175 | 71.2 Ų | 71.2 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 139.2 | 171.7 | -69.2 | -171.2 | 170.1 | 0 | 0 | 111.5 | ||
| 8 | V | 89.9 | Confident | 84 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | trans | -89.7 | 110.6 | -179.6 | -177 | 0 | 0 | 0 | 0 | 109 | L96 L99 K100 I173 | V8-L96 HydrophobicContact CG1-CD1 3.73Å; V8-L99 HydrophobicContact CG1-CB 4.36Å; V8-L99 HydrophobicContact CG2-CB 4.12Å; V8-L99 WeakPolarHBondContact CG2-O 3.26Å; V8-K100 HydrophobicContact CB-CG 4.38Å; V8-K100 WeakPolarHBondContact O-CE 3.36Å; V8-I173 HydrophobicContact CG2-CB 4.17Å; V8-I173 HydrophobicContact CG2-CG1 4.11Å; V8-I173 HydrophobicContact CG2-CG2 3.73Å | ||
| 9 | T | 87.4 | Confident | 84.5 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 56% | 0.558 | 35% | 0.345 | S | S | * | . | trans | -77.5 | -33.1 | -178.2 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | G11 D175 | T9-G11 VanDerWaalsContact C-N 3.31Å; T9-G11 PolarHBondContact OG1-N 2.96Å; T9-D175 WeakPolarHBondContact OG1-CB 3.49Å | ||
| 10 | G | 87.5 | Confident | 85 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | trans | 71.4 | 25.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 11 | G | 89.8 | Confident | 85.4 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | trans | -73.4 | -173.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | T9 T13 W14 I15 D175 | T9-G11 VanDerWaalsContact C-N 3.31Å; T9-G11 PolarHBondContact OG1-N 2.96Å; G11-T13 PolarHBondContact O-N 3.34Å; G11-W14 WeakPolarHBondContact O-CB 3.32Å; G11-W14 PolarHBondContact O-N 3Å; G11-I15 WeakPolarHBondContact O-CG1 3.38Å; G11-I15 PolarHBondContact O-N 3.46Å; G11-D175 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 12 | P | 89.3 | Confident | 87.8 | Confident | 97 Ų | 97 | 49.5 Ų | 49.5 | 63% | 0.63 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.2 | -31.4 | -164.6 | 25.2 | -34.7 | 0 | 0 | 0 | 114.4 | R16 | P12-R16 VanDerWaalsContact O-CG 3.28Å; P12-R16 WeakPolarHBondContact O-CG 3.29Å; P12-R16 PolarHBondContact O-N 3.2Å |
| 13 | T | 91 | Very high | 89.6 | Confident | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.3 | -41.2 | 176.4 | -44 | 0 | 0 | 0 | 0 | 109.6 | G11 R16 K17 D175 L188 | G11-T13 PolarHBondContact O-N 3.34Å; T13-R16 WeakPolarHBondContact O-CB 3.35Å; T13-R16 PolarHBondContact O-N 2.78Å; T13-K17 PolarHBondContact O-N 3.23Å; T13-D175 VanDerWaalsContact CA-OD1 3.24Å; T13-D175 WeakPolarHBondContact CA-OD1 3.41Å; T13-D175 WeakPolarHBondContact CB-OD1 3.42Å; T13-D175 PolarHBondContact N-OD1 3.44Å; T13-D175 PolarHBondContact OG1-OD1 3.32Å; T13-L188 HydrophobicContact CG2-CD1 3.96Å |
| 14 | W | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 175.7 | -174.5 | 92.8 | 0 | 0 | 0 | 112 | G11 R16 K17 M18 I92 L95 L96 L99 F172 D175 | G11-W14 WeakPolarHBondContact O-CB 3.32Å; G11-W14 PolarHBondContact O-N 3Å; W14-R16 VanDerWaalsContact C-N 3.28Å; W14-R16 PolarHBondContact O-N 3.41Å; W14-K17 WeakPolarHBondContact O-CB 3.01Å; W14-K17 PolarHBondContact O-N 2.74Å; W14-K17 VanDerWaalsContact O-N 3.09Å; W14-M18 HydrophobicContact CD2-CG 3.9Å; W14-M18 HydrophobicContact CE3-CG 4.02Å; W14-M18 HydrophobicContact CH2-CB 4.42Å; W14-M18 HydrophobicContact CH2-CG 3.52Å; W14-M18 HydrophobicContact CZ2-CG 3.38Å; W14-M18 HydrophobicContact CZ2-SD 3.92Å; W14-M18 HydrophobicContact CZ3-CG 3.86Å; W14-M18 WeakPolarHBondContact O-CG 3.42Å; W14-M18 PolarHBondContact O-N 3.31Å; W14-I92 HydrophobicContact CH2-CG2 4.15Å; W14-I92 HydrophobicContact CZ3-CG2 3.67Å; W14-L95 HydrophobicContact CZ2-CG 4.42Å; W14-L96 HydrophobicContact CE3-CD1 4.49Å; W14-L96 HydrophobicContact CH2-CB 3.59Å; W14-L96 HydrophobicContact CH2-CD1 3.99Å; W14-L96 HydrophobicContact CH2-CG 4.3Å; W14-L96 HydrophobicContact CZ2-CB 4.35Å; W14-L96 HydrophobicContact CZ2-CD1 4.23Å; W14-L96 HydrophobicContact CZ3-CB 4.03Å; W14-L96 HydrophobicContact CZ3-CD1 4.1Å; W14-L96 HydrophobicContact CZ3-CD2 4.46Å; W14-L96 HydrophobicContact CZ3-CG 4.42Å; W14-L99 HydrophobicContact CZ2-CD1 3.73Å; W14-F172 PolarHBondContact NE1-O 3.43Å; W14-D175 HydrophobicContact CB-CB 4.42Å; W14-D175 PolarHBondContact N-OD1 2.76Å |
| 15 | I | 92.5 | Very high | 91.5 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 176.2 | -67.7 | 170.9 | 0 | 0 | 0 | 110.6 | G11 K17 M18 R19 | G11-I15 WeakPolarHBondContact O-CG1 3.38Å; G11-I15 PolarHBondContact O-N 3.46Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.45Å; I15-M18 PolarHBondContact O-N 3.07Å; I15-R19 HydrophobicContact CG2-CG 4.37Å; I15-R19 WeakPolarHBondContact O-CG 3.44Å; I15-R19 PolarHBondContact O-N 2.87Å |
| 16 | R | 92.2 | Very high | 91.8 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 31% | 0.313 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 178.4 | -71.1 | 175.1 | 68.1 | -166.9 | -1.7 | 112.6 | P12 T13 W14 T20 L188 I189 | P12-R16 VanDerWaalsContact O-CG 3.28Å; P12-R16 WeakPolarHBondContact O-CG 3.29Å; P12-R16 PolarHBondContact O-N 3.2Å; T13-R16 WeakPolarHBondContact O-CB 3.35Å; T13-R16 PolarHBondContact O-N 2.78Å; W14-R16 VanDerWaalsContact C-N 3.28Å; W14-R16 PolarHBondContact O-N 3.41Å; R16-T20 WeakPolarHBondContact O-CB 3.34Å; R16-T20 PolarHBondContact O-N 2.94Å; R16-T20 PolarHBondContact O-OG1 2.86Å; R16-L188 HydrophobicContact CB-CB 4.41Å; R16-L188 HydrophobicContact CB-CD1 4.3Å; R16-L188 PolarHBondContact NH2-O 3.1Å; R16-L188 VanDerWaalsContact NH2-O 3.14Å; R16-I189 PolarHBondContact NE-O 3.32Å; R16-I189 PolarHBondContact NH2-O 2.72Å |
| 17 | K | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 172.9 | -75.6 | -171.9 | -75.1 | -179.4 | 0 | 111.2 | T13 W14 I15 R19 T20 L21 D170 F171 L174 N182 L188 | T13-K17 PolarHBondContact O-N 3.23Å; W14-K17 WeakPolarHBondContact O-CB 3.01Å; W14-K17 PolarHBondContact O-N 2.74Å; W14-K17 VanDerWaalsContact O-N 3.09Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.45Å; K17-R19 PolarHBondContact O-N 2.91Å; K17-T20 WeakPolarHBondContact O-CB 3.44Å; K17-T20 PolarHBondContact O-N 3.2Å; K17-T20 VanDerWaalsContact O-N 3.15Å; K17-L21 PolarHBondContact O-N 2.83Å; K17-D170 PolarHBondContact NZ-O 2.78Å; K17-F171 HydrophobicContact CB-CE1 4.25Å; K17-F171 HydrophobicContact CB-CE2 4.07Å; K17-F171 HydrophobicContact CB-CZ 3.79Å; K17-F171 HydrophobicContact CD-CD2 3.84Å; K17-F171 HydrophobicContact CD-CE2 3.85Å; K17-F171 HydrophobicContact CD-CG 4.31Å; K17-F171 HydrophobicContact CD-CZ 4.33Å; K17-F171 WeakPolarHBondContact CD-O 3.49Å; K17-F171 WeakPolarHBondContact CE-O 3.39Å; K17-F171 HydrophobicContact CG-CD2 4.42Å; K17-F171 HydrophobicContact CG-CE2 3.91Å; K17-F171 HydrophobicContact CG-CZ 4.17Å; K17-F171 PolarHBondContact NZ-O 3.39Å; K17-L174 PolarHBondContact NZ-O 2.94Å; K17-N182 WeakPolarHBondContact CD-OD1 3.17Å; K17-L188 HydrophobicContact CB-CD2 4.4Å; K17-L188 HydrophobicContact CG-CD1 4.17Å; K17-L188 HydrophobicContact CG-CD2 3.77Å |
| 18 | M | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.2 | -36.9 | -177.6 | -60.4 | -51.6 | 106.1 | 0 | 0 | 112.7 | W14 I15 T20 L21 F22 I92 L95 F171 F172 | W14-M18 HydrophobicContact CD2-CG 3.9Å; W14-M18 HydrophobicContact CE3-CG 4.02Å; W14-M18 HydrophobicContact CH2-CB 4.42Å; W14-M18 HydrophobicContact CH2-CG 3.52Å; W14-M18 HydrophobicContact CZ2-CG 3.38Å; W14-M18 HydrophobicContact CZ2-SD 3.92Å; W14-M18 HydrophobicContact CZ3-CG 3.86Å; W14-M18 WeakPolarHBondContact O-CG 3.42Å; W14-M18 PolarHBondContact O-N 3.31Å; I15-M18 PolarHBondContact O-N 3.07Å; M18-T20 VanDerWaalsContact C-N 3.32Å; M18-T20 PolarHBondContact O-N 2.87Å; M18-L21 PolarHBondContact O-N 3.21Å; M18-L21 HydrophobicContact SD-CD2 4.49Å; M18-F22 WeakPolarHBondContact O-CB 3.43Å; M18-F22 PolarHBondContact O-N 3.35Å; M18-I92 HydrophobicContact CB-CG1 3.98Å; M18-L95 HydrophobicContact CG-CD2 4.09Å; M18-L95 HydrophobicContact SD-CD2 3.27Å; M18-L95 WeakPolarHBondContact SD-CD2 3.47Å; M18-L95 HydrophobicContact SD-CG 4.32Å; M18-F171 HydrophobicContact CE-CD1 3.95Å; M18-F171 HydrophobicContact CE-CE1 3.6Å; M18-F171 HydrophobicContact CE-CZ 4.36Å; M18-F172 HydrophobicContact CE-CD1 4.15Å; M18-F172 HydrophobicContact SD-CD1 4.13Å; M18-F172 HydrophobicContact SD-CE1 4.36Å |
| 19 | R | 93 | Very high | 91 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 170.1 | -72.2 | -173.9 | 179.6 | 152.9 | 6 | 112.2 | I15 K17 F22 R23 E88 I92 D196 | I15-R19 HydrophobicContact CG2-CG 4.37Å; I15-R19 WeakPolarHBondContact O-CG 3.44Å; I15-R19 PolarHBondContact O-N 2.87Å; K17-R19 PolarHBondContact O-N 2.91Å; R19-F22 PolarHBondContact O-N 3.49Å; R19-R23 WeakPolarHBondContact O-CB 3.41Å; R19-R23 PolarHBondContact O-N 3.19Å; R19-E88 WeakPolarHBondContact CD-OE1 3.27Å; R19-E88 HydrophobicContact CG-CG 4.2Å; R19-E88 WeakPolarHBondContact CG-OE1 3.39Å; R19-E88 IonicContact NE-OE1 3.58Å; R19-E88 PolarHBondContact NE-OE1 2.82Å; R19-I92 HydrophobicContact CG-CD1 3.44Å; R19-I92 VanDerWaalsContact CG-CD1 3.44Å; R19-D196 IonicContact CZ-OD1 3.42Å; R19-D196 IonicContact CZ-OD2 3.92Å; R19-D196 IonicContact NH1-OD1 2.68Å; R19-D196 IonicContact NH1-OD2 3.68Å; R19-D196 PolarHBondContact NH1-OD2 2.9Å; R19-D196 IonicContact NH2-OD1 3.26Å; R19-D196 PolarHBondContact NH2-OD1 2.85Å; R19-D196 IonicContact NH2-OD2 3.41Å; R19-D196 PolarHBondContact NH2-OD2 3.24Å |
| 20 | T | 93.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | R16 K17 M18 R23 R24 W185 I189 | R16-T20 WeakPolarHBondContact O-CB 3.34Å; R16-T20 PolarHBondContact O-N 2.94Å; R16-T20 PolarHBondContact O-OG1 2.86Å; K17-T20 WeakPolarHBondContact O-CB 3.44Å; K17-T20 PolarHBondContact O-N 3.2Å; K17-T20 VanDerWaalsContact O-N 3.15Å; M18-T20 VanDerWaalsContact C-N 3.32Å; M18-T20 PolarHBondContact O-N 2.87Å; T20-R23 PolarHBondContact O-N 3.32Å; T20-R24 VanDerWaalsContact O-CG 3.29Å; T20-R24 WeakPolarHBondContact O-CG 3.35Å; T20-R24 PolarHBondContact O-N 2.73Å; T20-R24 VanDerWaalsContact O-N 3.08Å; T20-W185 HydrophobicContact CG2-CB 4.17Å; T20-I189 HydrophobicContact CG2-CG1 4.48Å; T20-I189 PolarHBondContact OG1-N 3.05Å; T20-I189 VanDerWaalsContact OG1-N 3.09Å |
| 21 | L | 95.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.1 | -52.6 | 174.3 | 174.1 | 61.1 | 0 | 0 | 0 | 111.7 | K17 M18 R23 R24 L25 F91 W139 F171 F172 W185 | K17-L21 PolarHBondContact O-N 2.83Å; M18-L21 PolarHBondContact O-N 3.21Å; M18-L21 HydrophobicContact SD-CD2 4.49Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.36Å; L21-R24 PolarHBondContact O-N 3.08Å; L21-L25 HydrophobicContact CD1-CD1 3.95Å; L21-L25 HydrophobicContact CD1-CG 4.05Å; L21-L25 HydrophobicContact CG-CD1 4.06Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 3.31Å; L21-F91 HydrophobicContact CD2-CE1 4.49Å; L21-F91 HydrophobicContact CD2-CZ 4.05Å; L21-F91 HydrophobicContact CG-CZ 4.28Å; L21-W139 HydrophobicContact CD1-CE3 4.43Å; L21-W139 HydrophobicContact CD1-CZ3 4.49Å; L21-F171 HydrophobicContact CB-CE1 4.4Å; L21-F171 HydrophobicContact CD2-CE1 4.46Å; L21-F172 HydrophobicContact CD2-CE1 3.6Å; L21-F172 HydrophobicContact CD2-CZ 3.85Å; L21-W185 HydrophobicContact CD1-CD2 3.84Å; L21-W185 VanDerWaalsContact CD1-CE2 3.4Å; L21-W185 HydrophobicContact CD1-CE3 4.48Å; L21-W185 HydrophobicContact CD1-CG 4.18Å; L21-W185 HydrophobicContact CD1-CH2 4.33Å; L21-W185 HydrophobicContact CD1-CZ2 3.7Å |
| 22 | F | 94.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51.8 | -50 | 178.7 | 176.9 | -90.8 | 0 | 0 | 0 | 111.7 | M18 R19 R24 L25 D26 L33 I86 E88 F91 | M18-F22 WeakPolarHBondContact O-CB 3.43Å; M18-F22 PolarHBondContact O-N 3.35Å; R19-F22 PolarHBondContact O-N 3.49Å; F22-R24 VanDerWaalsContact C-N 3.26Å; F22-R24 PolarHBondContact O-N 2.64Å; F22-L25 PolarHBondContact O-N 3.22Å; F22-L25 VanDerWaalsContact O-N 3.15Å; F22-D26 PolarHBondContact O-N 2.95Å; F22-L33 HydrophobicContact CD2-CD1 3.59Å; F22-L33 HydrophobicContact CD2-CG 3.9Å; F22-L33 HydrophobicContact CE2-CB 4.45Å; F22-L33 HydrophobicContact CE2-CD1 3.76Å; F22-L33 HydrophobicContact CE2-CG 3.57Å; F22-L33 HydrophobicContact CZ-CG 4.24Å; F22-I86 WeakPolarHBondContact CE2-O 3.29Å; F22-E88 HydrophobicContact CB-CG 4.24Å; F22-E88 HydrophobicContact CD1-CB 3.64Å; F22-E88 HydrophobicContact CD1-CG 3.65Å; F22-E88 HydrophobicContact CD2-CB 4.31Å; F22-E88 HydrophobicContact CD2-CG 4.49Å; F22-E88 HydrophobicContact CE1-CB 3.58Å; F22-E88 HydrophobicContact CE1-CG 4.14Å; F22-E88 HydrophobicContact CE2-CB 4.22Å; F22-E88 HydrophobicContact CG-CB 4.03Å; F22-E88 HydrophobicContact CG-CG 3.87Å; F22-E88 HydrophobicContact CZ-CB 3.88Å; F22-F91 HydrophobicContact CB-CD1 3.86Å; F22-F91 HydrophobicContact CB-CE1 3.99Å; F22-F91 HydrophobicContact CD2-CB 3.68Å; F22-F91 AromaticContact CD2-CD1 3.82Å; F22-F91 HydrophobicContact CD2-CD1 3.82Å; F22-F91 HydrophobicContact CD2-CD2 4.21Å; F22-F91 AromaticContact CD2-CG 3.64Å; F22-F91 HydrophobicContact CD2-CG 3.64Å; F22-F91 HydrophobicContact CE2-CB 4.03Å; F22-F91 HydrophobicContact CE2-CG 4.4Å; F22-F91 HydrophobicContact CG-CD1 4.29Å |
| 23 | R | 92.1 | Very high | 91 | Very high | 129 Ų | 129 | 35.9 Ų | 35.9 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.1 | -27.3 | -179.6 | -171.7 | 175.7 | -176.3 | 176.7 | 2.7 | 113.4 | R19 T20 L21 I189 | R19-R23 WeakPolarHBondContact O-CB 3.41Å; R19-R23 PolarHBondContact O-N 3.19Å; T20-R23 PolarHBondContact O-N 3.32Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.36Å; R23-I189 HydrophobicContact CB-CD1 3.85Å; R23-I189 VanDerWaalsContact CD-CD1 3.43Å; R23-I189 HydrophobicContact CG-CD1 4.28Å |
| 24 | R | 93.3 | Very high | 91.2 | Very high | 94 Ų | 94 | 38 Ų | 38 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -75.9 | -33.9 | 175.1 | -69 | -59.2 | -62.1 | -179.8 | -3.6 | 111.7 | T20 L21 F22 K140 W185 | T20-R24 VanDerWaalsContact O-CG 3.29Å; T20-R24 WeakPolarHBondContact O-CG 3.35Å; T20-R24 PolarHBondContact O-N 2.73Å; T20-R24 VanDerWaalsContact O-N 3.08Å; L21-R24 PolarHBondContact O-N 3.08Å; F22-R24 VanDerWaalsContact C-N 3.26Å; F22-R24 PolarHBondContact O-N 2.64Å; R24-K140 HydrophobicContact CB-CB 4.36Å; R24-K140 PolarHBondContact NE-O 2.85Å; R24-K140 PolarHBondContact NH2-O 3.09Å; R24-K140 VanDerWaalsContact O-CB 3.23Å; R24-K140 WeakPolarHBondContact O-CB 3.17Å; R24-K140 WeakPolarHBondContact O-CG 3.36Å; R24-W185 HydrophobicContact CG-CB 4.09Å; R24-W185 HydrophobicContact CG-CG 4.41Å |
| 25 | L | 93.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.2 | -37.1 | 175.2 | -65.3 | 176.1 | 0 | 0 | 0 | 112 | L21 F22 T27 L33 I38 I41 W139 | L21-L25 HydrophobicContact CD1-CD1 3.95Å; L21-L25 HydrophobicContact CD1-CG 4.05Å; L21-L25 HydrophobicContact CG-CD1 4.06Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 3.31Å; F22-L25 PolarHBondContact O-N 3.22Å; F22-L25 VanDerWaalsContact O-N 3.15Å; L25-T27 PolarHBondContact O-N 2.91Å; L25-L33 HydrophobicContact CB-CD1 4.14Å; L25-L33 HydrophobicContact CB-CD2 3.63Å; L25-L33 HydrophobicContact CD1-CD1 4.21Å; L25-I38 HydrophobicContact CD1-CD1 4.29Å; L25-I41 HydrophobicContact CD2-CD1 4.01Å; L25-W139 HydrophobicContact CD2-CE3 4.41Å |
| 26 | D | 92.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | trans | -74.4 | 71 | 173.2 | 177.5 | 16.6 | 0 | 0 | 0 | 110.4 | F22 S28 G29 H30 G31 L33 | F22-D26 PolarHBondContact O-N 2.95Å; D26-S28 PolarHBondContact O-N 3.4Å; D26-G29 PolarHBondContact O-N 2.84Å; D26-G29 VanDerWaalsContact OD1-CA 3.3Å; D26-G29 WeakPolarHBondContact OD1-CA 3.32Å; D26-G29 PolarHBondContact OD1-N 2.9Å; D26-G29 WeakPolarHBondContact OD2-CA 3.41Å; D26-H30 IonicContact OD1-CD2 3.71Å; D26-H30 PolarHBondContact OD1-CD2 3.5Å; D26-H30 IonicContact OD1-CE1 3.53Å; D26-H30 IonicContact OD1-CG 3.45Å; D26-H30 PolarHBondContact OD1-N 3.17Å; D26-H30 IonicContact OD1-ND1 3.4Å; D26-H30 IonicContact OD1-NE2 2.85Å; D26-H30 PolarHBondContact OD2-N 3.31Å; D26-G31 WeakPolarHBondContact OD2-CA 3.19Å; D26-G31 PolarHBondContact OD2-N 3.49Å; D26-L33 HydrophobicContact CB-CD2 3.93Å | ||
| 27 | T | 84.5 | Confident | 91.2 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.3 | -177.6 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | L25 K140 | L25-T27 PolarHBondContact O-N 2.91Å; T27-K140 HydrophobicContact CG2-CD 3.81Å; T27-K140 HydrophobicContact CG2-CG 3.89Å |
| 28 | S | 82.8 | Confident | 91.2 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 38% | 0.378 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -20.4 | 179.2 | -75.3 | 0 | 0 | 0 | 0 | 113 | D26 H30 R246 | D26-S28 PolarHBondContact O-N 3.4Å; S28-H30 WeakPolarHBondContact CB-CD2 3.32Å; S28-R246 PolarHBondContact OG-NH2 3.49Å |
| 29 | G | 82.4 | Confident | 91.1 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | trans | 74.9 | 29.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D26 | D26-G29 PolarHBondContact O-N 2.84Å; D26-G29 VanDerWaalsContact OD1-CA 3.3Å; D26-G29 WeakPolarHBondContact OD1-CA 3.32Å; D26-G29 PolarHBondContact OD1-N 2.9Å; D26-G29 WeakPolarHBondContact OD2-CA 3.41Å | ||
| 30 | H | 83.4 | Confident | 91.2 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -86.8 | -7.7 | -178.7 | 48.8 | 77.1 | 0 | 0 | 0 | 113.7 | D26 S28 Y32 | D26-H30 IonicContact OD1-CD2 3.71Å; D26-H30 PolarHBondContact OD1-CD2 3.5Å; D26-H30 IonicContact OD1-CE1 3.53Å; D26-H30 IonicContact OD1-CG 3.45Å; D26-H30 PolarHBondContact OD1-N 3.17Å; D26-H30 IonicContact OD1-ND1 3.4Å; D26-H30 IonicContact OD1-NE2 2.85Å; D26-H30 PolarHBondContact OD2-N 3.31Å; S28-H30 WeakPolarHBondContact CB-CD2 3.32Å; H30-Y32 HydrophobicContact CB-CD1 4.06Å; H30-Y32 HydrophobicContact CB-CE1 3.6Å; H30-Y32 AromaticContact CE1-CD2 3.14Å; H30-Y32 WeakPolarHBondContact CE1-CD2 3.47Å; H30-Y32 AromaticContact CE1-CE2 3.24Å; H30-Y32 WeakPolarHBondContact CE1-CE2 3.32Å; H30-Y32 AromaticContact CE1-CG 3.61Å; H30-Y32 AromaticContact CE1-CZ 3.8Å; H30-Y32 PolarHBondContact CE1-O 2.96Å; H30-Y32 AromaticContact CG-CD1 3.91Å; H30-Y32 AromaticContact CG-CE1 3.62Å; H30-Y32 AromaticContact CG-CE2 3.87Å; H30-Y32 AromaticContact CG-CZ 3.59Å; H30-Y32 AromaticContact ND1-CD1 3.17Å; H30-Y32 WeakPolarHBondContact ND1-CD1 3.24Å; H30-Y32 AromaticContact ND1-CD2 3.05Å; H30-Y32 WeakPolarHBondContact ND1-CD2 3.42Å; H30-Y32 AromaticContact ND1-CE1 3.28Å; H30-Y32 VanDerWaalsContact ND1-CE1 3.28Å; H30-Y32 WeakPolarHBondContact ND1-CE1 3.42Å; H30-Y32 AromaticContact ND1-CE2 3.15Å; H30-Y32 WeakPolarHBondContact ND1-CE2 3.41Å; H30-Y32 AromaticContact ND1-CG 3.05Å; H30-Y32 AromaticContact ND1-CZ 3.26Å; H30-Y32 VanDerWaalsContact ND1-CZ 3.26Å; H30-Y32 PolarHBondContact ND1-N 3Å; H30-Y32 PolarHBondContact ND1-O 2.58Å; H30-Y32 AromaticContact NE2-CE2 3.98Å |
| 31 | G | 86.8 | Confident | 91.3 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 84.2 | 13.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | D26 | D26-G31 WeakPolarHBondContact OD2-CA 3.19Å; D26-G31 PolarHBondContact OD2-N 3.49Å |
| 32 | Y | 91 | Very high | 91.2 | Very high | 84 Ų | 84 | 44.9 Ų | 44.9 | 33% | 0.329 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 174.4 | 172.1 | 56.3 | -92 | 0 | 0 | 0 | 110.2 | H30 M34 T85 I86 | H30-Y32 HydrophobicContact CB-CD1 4.06Å; H30-Y32 HydrophobicContact CB-CE1 3.6Å; H30-Y32 AromaticContact CE1-CD2 3.14Å; H30-Y32 WeakPolarHBondContact CE1-CD2 3.47Å; H30-Y32 AromaticContact CE1-CE2 3.24Å; H30-Y32 WeakPolarHBondContact CE1-CE2 3.32Å; H30-Y32 AromaticContact CE1-CG 3.61Å; H30-Y32 AromaticContact CE1-CZ 3.8Å; H30-Y32 PolarHBondContact CE1-O 2.96Å; H30-Y32 AromaticContact CG-CD1 3.91Å; H30-Y32 AromaticContact CG-CE1 3.62Å; H30-Y32 AromaticContact CG-CE2 3.87Å; H30-Y32 AromaticContact CG-CZ 3.59Å; H30-Y32 AromaticContact ND1-CD1 3.17Å; H30-Y32 WeakPolarHBondContact ND1-CD1 3.24Å; H30-Y32 AromaticContact ND1-CD2 3.05Å; H30-Y32 WeakPolarHBondContact ND1-CD2 3.42Å; H30-Y32 AromaticContact ND1-CE1 3.28Å; H30-Y32 VanDerWaalsContact ND1-CE1 3.28Å; H30-Y32 WeakPolarHBondContact ND1-CE1 3.42Å; H30-Y32 AromaticContact ND1-CE2 3.15Å; H30-Y32 WeakPolarHBondContact ND1-CE2 3.41Å; H30-Y32 AromaticContact ND1-CG 3.05Å; H30-Y32 AromaticContact ND1-CZ 3.26Å; H30-Y32 VanDerWaalsContact ND1-CZ 3.26Å; H30-Y32 PolarHBondContact ND1-N 3Å; H30-Y32 PolarHBondContact ND1-O 2.58Å; H30-Y32 AromaticContact NE2-CE2 3.98Å; Y32-M34 HydrophobicContact CD2-CG 3.96Å; Y32-M34 HydrophobicContact CE2-CE 4.37Å; Y32-M34 HydrophobicContact CE2-CG 3.85Å; Y32-M34 HydrophobicContact CE2-SD 3.86Å; Y32-T85 VanDerWaalsContact CD2-CB 3.43Å; Y32-T85 HydrophobicContact CD2-CG2 3.37Å; Y32-T85 HydrophobicContact CE2-CG2 3.44Å; Y32-T85 VanDerWaalsContact CE2-CG2 3.44Å; Y32-T85 HydrophobicContact CG-CG2 4.12Å; Y32-I86 CarbonylContact C-O 3.27Å; Y32-I86 VanDerWaalsContact C-O 3.31Å; Y32-I86 WeakPolarHBondContact CA-O 3.44Å; Y32-I86 WeakPolarHBondContact CB-O 3.18Å |
| 33 | L | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.5 | 169.1 | -65.8 | 175.4 | 0 | 0 | 0 | 109.1 | F22 L25 D26 D37 W68 T85 I86 F91 | F22-L33 HydrophobicContact CD2-CD1 3.59Å; F22-L33 HydrophobicContact CD2-CG 3.9Å; F22-L33 HydrophobicContact CE2-CB 4.45Å; F22-L33 HydrophobicContact CE2-CD1 3.76Å; F22-L33 HydrophobicContact CE2-CG 3.57Å; F22-L33 HydrophobicContact CZ-CG 4.24Å; L25-L33 HydrophobicContact CB-CD1 4.14Å; L25-L33 HydrophobicContact CB-CD2 3.63Å; L25-L33 HydrophobicContact CD1-CD1 4.21Å; D26-L33 HydrophobicContact CB-CD2 3.93Å; L33-D37 WeakPolarHBondContact CA-OD2 3.48Å; L33-D37 HydrophobicContact CD2-CB 4.15Å; L33-W68 HydrophobicContact CB-CZ3 4.38Å; L33-T85 CarbonylContact O-C 3.28Å; L33-T85 WeakPolarHBondContact O-CA 3.41Å; L33-I86 PolarHBondContact N-O 3.26Å; L33-I86 PolarHBondContact O-N 3.45Å; L33-F91 HydrophobicContact CD1-CD2 3.91Å; L33-F91 HydrophobicContact CD1-CE2 4.06Å |
| 34 | M | 93.6 | Very high | 91.3 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 30% | 0.3 | 25% | 0.247 | S | C | . | . | trans | -120.7 | 167.9 | 171.2 | -63.6 | -174.4 | -61.2 | 0 | 0 | 109.8 | Y32 D36 D37 T85 | Y32-M34 HydrophobicContact CD2-CG 3.96Å; Y32-M34 HydrophobicContact CE2-CE 4.37Å; Y32-M34 HydrophobicContact CE2-CG 3.85Å; Y32-M34 HydrophobicContact CE2-SD 3.86Å; M34-D36 PolarHBondContact O-N 3.37Å; M34-D37 PolarHBondContact N-OD2 3.47Å; M34-D37 WeakPolarHBondContact O-CB 3.38Å; M34-D37 PolarHBondContact O-N 3.13Å; M34-D37 VanDerWaalsContact O-N 3.11Å; M34-T85 HydrophobicContact CG-CG2 3.95Å; M34-T85 HydrophobicContact SD-CG2 4.25Å | ||
| 35 | V | 93.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 39 Ų | 39 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.2 | -34.8 | 175.3 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | D37 I38 L39 W68 T82 | V35-D37 VanDerWaalsContact C-N 3.31Å; V35-D37 PolarHBondContact O-N 3.37Å; V35-I38 PolarHBondContact O-N 3.32Å; V35-I38 VanDerWaalsContact O-N 3.11Å; V35-L39 HydrophobicContact CG2-CD1 4.07Å; V35-L39 HydrophobicContact CG2-CG 4.21Å; V35-L39 WeakPolarHBondContact O-CG 3.42Å; V35-L39 PolarHBondContact O-N 3.21Å; V35-W68 HydrophobicContact CB-CD2 4.21Å; V35-W68 HydrophobicContact CB-CG 4.48Å; V35-W68 HydrophobicContact CB-CZ2 4.01Å; V35-W68 HydrophobicContact CG2-CD2 4.33Å; V35-W68 HydrophobicContact CG2-CG 4.12Å; V35-W68 VanDerWaalsContact N-CZ2 3.3Å; V35-T82 WeakPolarHBondContact CG1-O 3.43Å |
| 36 | D | 92.5 | Very high | 91.4 | Very high | 102 Ų | 102 | 41.2 Ų | 41.2 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 179.1 | -68.4 | -19.5 | 0 | 0 | 0 | 112.7 | M34 I38 L39 E40 | M34-D36 PolarHBondContact O-N 3.37Å; D36-I38 VanDerWaalsContact C-N 3.25Å; D36-I38 PolarHBondContact O-N 3.23Å; D36-L39 PolarHBondContact O-N 2.92Å; D36-E40 WeakPolarHBondContact O-CB 3.18Å; D36-E40 PolarHBondContact O-N 3.41Å |
| 37 | D | 93.2 | Very high | 91.5 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 177.3 | -61.8 | -61.6 | 0 | 0 | 0 | 111.3 | L33 M34 V35 | L33-D37 WeakPolarHBondContact CA-OD2 3.48Å; L33-D37 HydrophobicContact CD2-CB 4.15Å; M34-D37 PolarHBondContact N-OD2 3.47Å; M34-D37 WeakPolarHBondContact O-CB 3.38Å; M34-D37 PolarHBondContact O-N 3.13Å; M34-D37 VanDerWaalsContact O-N 3.11Å; V35-D37 VanDerWaalsContact C-N 3.31Å; V35-D37 PolarHBondContact O-N 3.37Å |
| 38 | I | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77 | -40.2 | 176.3 | -57.2 | -52.9 | 0 | 0 | 0 | 111 | L25 V35 D36 E40 I41 L64 L67 W68 I72 | L25-I38 HydrophobicContact CD1-CD1 4.29Å; V35-I38 PolarHBondContact O-N 3.32Å; V35-I38 VanDerWaalsContact O-N 3.11Å; D36-I38 VanDerWaalsContact C-N 3.25Å; D36-I38 PolarHBondContact O-N 3.23Å; I38-E40 VanDerWaalsContact C-N 3.26Å; I38-E40 PolarHBondContact O-N 2.91Å; I38-I41 VanDerWaalsContact O-CB 3.29Å; I38-I41 WeakPolarHBondContact O-CB 3.49Å; I38-I41 WeakPolarHBondContact O-CG1 3.46Å; I38-I41 PolarHBondContact O-N 3.36Å; I38-L64 HydrophobicContact CG2-CB 4.05Å; I38-L64 HydrophobicContact CG2-CD2 3.91Å; I38-L67 HydrophobicContact CG2-CD2 4.43Å; I38-W68 HydrophobicContact CG1-CE3 3.61Å; I38-W68 HydrophobicContact CG1-CZ3 4.08Å; I38-I72 HydrophobicContact CD1-CD1 4.11Å; I38-I72 HydrophobicContact CG1-CD1 4.38Å |
| 39 | L | 93.3 | Very high | 92.4 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 40% | 0.398 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.4 | -25.6 | 177.4 | -67.2 | 178.3 | 0 | 0 | 0 | 112.8 | V35 D36 I41 G42 T43 | V35-L39 HydrophobicContact CG2-CD1 4.07Å; V35-L39 HydrophobicContact CG2-CG 4.21Å; V35-L39 WeakPolarHBondContact O-CG 3.42Å; V35-L39 PolarHBondContact O-N 3.21Å; D36-L39 PolarHBondContact O-N 2.92Å; L39-I41 PolarHBondContact O-N 3.37Å; L39-G42 PolarHBondContact O-N 3.27Å; L39-T43 PolarHBondContact O-N 2.93Å; L39-T43 PolarHBondContact O-OG1 2.64Å |
| 40 | E | 94.2 | Very high | 92.8 | Very high | 76 Ų | 76 | 49 Ų | 49 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -31.9 | 174 | -156.8 | -160.6 | 156.9 | 0 | 0 | 111.6 | D36 I38 T43 S44 K140 | D36-E40 WeakPolarHBondContact O-CB 3.18Å; D36-E40 PolarHBondContact O-N 3.41Å; I38-E40 VanDerWaalsContact C-N 3.26Å; I38-E40 PolarHBondContact O-N 2.91Å; E40-T43 PolarHBondContact O-N 3.02Å; E40-S44 WeakPolarHBondContact O-CB 3.4Å; E40-S44 PolarHBondContact O-N 2.99Å; E40-K140 IonicContact OE1-NZ 3.09Å; E40-K140 PolarHBondContact OE1-NZ 2.7Å; E40-K140 WeakPolarHBondContact OE2-CE 3.29Å; E40-K140 IonicContact OE2-NZ 2.63Å; E40-K140 PolarHBondContact OE2-NZ 2.86Å; E40-K140 VanDerWaalsContact OE2-NZ 3.09Å |
| 41 | I | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 174.9 | -56.6 | 174.6 | 0 | 0 | 0 | 109.9 | L25 I38 L39 S44 L45 L64 W139 | L25-I41 HydrophobicContact CD2-CD1 4.01Å; I38-I41 VanDerWaalsContact O-CB 3.29Å; I38-I41 WeakPolarHBondContact O-CB 3.49Å; I38-I41 WeakPolarHBondContact O-CG1 3.46Å; I38-I41 PolarHBondContact O-N 3.36Å; L39-I41 PolarHBondContact O-N 3.37Å; I41-S44 PolarHBondContact O-N 3.07Å; I41-L45 PolarHBondContact O-N 3Å; I41-L45 VanDerWaalsContact O-N 3.12Å; I41-L64 HydrophobicContact CB-CD2 4.23Å; I41-L64 HydrophobicContact CD1-CD2 4.35Å; I41-L64 HydrophobicContact CG2-CD2 4.26Å; I41-W139 HydrophobicContact CD1-CD2 3.94Å; I41-W139 HydrophobicContact CD1-CE3 4.19Å; I41-W139 HydrophobicContact CD1-CG 4.29Å; I41-W139 VanDerWaalsContact CG2-CD1 3.42Å; I41-W139 HydrophobicContact CG2-CD2 4.49Å; I41-W139 HydrophobicContact CG2-CG 4.06Å |
| 42 | G | 94.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L39 S44 L45 F46 | L39-G42 PolarHBondContact O-N 3.27Å; G42-S44 VanDerWaalsContact C-N 3.27Å; G42-S44 PolarHBondContact O-N 3.14Å; G42-L45 PolarHBondContact O-N 3.18Å; G42-L45 VanDerWaalsContact O-N 3.08Å; G42-F46 VanDerWaalsContact O-CD1 3.29Å; G42-F46 WeakPolarHBondContact O-CD1 3.35Å; G42-F46 VanDerWaalsContact O-CD2 3.24Å; G42-F46 WeakPolarHBondContact O-CD2 3.23Å; G42-F46 WeakPolarHBondContact O-CG 3.49Å; G42-F46 PolarHBondContact O-N 3.39Å |
| 43 | T | 94.4 | Very high | 93.3 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.6 | -44 | 176.7 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | L39 E40 L45 F46 N47 | L39-T43 PolarHBondContact O-N 2.93Å; L39-T43 PolarHBondContact O-OG1 2.64Å; E40-T43 PolarHBondContact O-N 3.02Å; T43-L45 PolarHBondContact O-N 2.85Å; T43-F46 PolarHBondContact O-N 3.45Å; T43-N47 VanDerWaalsContact O-CG 3.26Å; T43-N47 PolarHBondContact O-N 2.88Å; T43-N47 PolarHBondContact O-ND2 3.34Å |
| 44 | S | 94.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 58.7 Ų | 58.7 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | E40 I41 G42 N47 I48 S138 | E40-S44 WeakPolarHBondContact O-CB 3.4Å; E40-S44 PolarHBondContact O-N 2.99Å; I41-S44 PolarHBondContact O-N 3.07Å; G42-S44 VanDerWaalsContact C-N 3.27Å; G42-S44 PolarHBondContact O-N 3.14Å; S44-N47 PolarHBondContact O-N 3.47Å; S44-I48 WeakPolarHBondContact O-CG1 3.33Å; S44-I48 PolarHBondContact O-N 3.47Å; S44-S138 WeakPolarHBondContact CB-OG 3.41Å; S44-S138 PolarHBondContact OG-OG 3.43Å |
| 45 | L | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 177.7 | -82.8 | 173.9 | 0 | 0 | 0 | 112.2 | I41 G42 T43 N47 I48 Y49 L60 I119 L135 S138 | I41-L45 PolarHBondContact O-N 3Å; I41-L45 VanDerWaalsContact O-N 3.12Å; G42-L45 PolarHBondContact O-N 3.18Å; G42-L45 VanDerWaalsContact O-N 3.08Å; T43-L45 PolarHBondContact O-N 2.85Å; L45-N47 VanDerWaalsContact C-N 3.27Å; L45-N47 PolarHBondContact O-N 3.1Å; L45-I48 PolarHBondContact O-N 2.95Å; L45-I48 VanDerWaalsContact O-N 3.11Å; L45-Y49 HydrophobicContact CD2-CD2 4.33Å; L45-Y49 HydrophobicContact CD2-CE2 4.17Å; L45-Y49 PolarHBondContact O-N 3.23Å; L45-L60 HydrophobicContact CB-CD2 3.97Å; L45-L60 HydrophobicContact CD1-CD1 4.03Å; L45-L60 HydrophobicContact CD1-CD2 3.56Å; L45-L60 HydrophobicContact CD1-CG 4.48Å; L45-L60 HydrophobicContact CG-CD2 4.4Å; L45-I119 HydrophobicContact CD1-CD1 4.48Å; L45-I119 HydrophobicContact CD2-CD1 3.6Å; L45-L135 HydrophobicContact CD1-CD1 3.92Å; L45-S138 WeakPolarHBondContact CG-OG 3.28Å |
| 46 | F | 93.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 59.9 Ų | 59.9 | 22% | 0.219 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -32.7 | 179.3 | -58.3 | -19.1 | 0 | 0 | 0 | 112.3 | G42 T43 Y49 P50 Y57 L60 V61 | G42-F46 VanDerWaalsContact O-CD1 3.29Å; G42-F46 WeakPolarHBondContact O-CD1 3.35Å; G42-F46 VanDerWaalsContact O-CD2 3.24Å; G42-F46 WeakPolarHBondContact O-CD2 3.23Å; G42-F46 WeakPolarHBondContact O-CG 3.49Å; G42-F46 PolarHBondContact O-N 3.39Å; T43-F46 PolarHBondContact O-N 3.45Å; F46-Y49 CarbonylContact O-C 3.24Å; F46-Y49 VanDerWaalsContact O-C 3.27Å; F46-P50 WeakPolarHBondContact O-CA 2.98Å; F46-Y57 HydrophobicContact CB-CE1 3.88Å; F46-Y57 AromaticContact CD1-CD1 3.26Å; F46-Y57 HydrophobicContact CD1-CD1 3.26Å; F46-Y57 AromaticContact CD1-CE1 3.15Å; F46-Y57 HydrophobicContact CD1-CE1 3.15Å; F46-Y57 HydrophobicContact CD2-CD1 4.24Å; F46-Y57 HydrophobicContact CD2-CE1 4.21Å; F46-Y57 AromaticContact CE1-CD1 3.17Å; F46-Y57 HydrophobicContact CE1-CD1 3.17Å; F46-Y57 AromaticContact CE1-CE1 3.64Å; F46-Y57 HydrophobicContact CE1-CE1 3.64Å; F46-Y57 HydrophobicContact CE1-CG 4.21Å; F46-Y57 HydrophobicContact CE2-CD1 4.17Å; F46-Y57 AromaticContact CG-CD1 3.82Å; F46-Y57 HydrophobicContact CG-CD1 3.82Å; F46-Y57 AromaticContact CG-CE1 3.48Å; F46-Y57 HydrophobicContact CG-CE1 3.48Å; F46-Y57 VanDerWaalsContact CG-CE1 3.48Å; F46-Y57 AromaticContact CZ-CD1 3.67Å; F46-Y57 HydrophobicContact CZ-CD1 3.67Å; F46-Y57 HydrophobicContact CZ-CE1 4.35Å; F46-L60 HydrophobicContact CD1-CD2 4.27Å; F46-L60 HydrophobicContact CE1-CB 4.45Å; F46-L60 HydrophobicContact CE1-CD2 3.45Å; F46-L60 VanDerWaalsContact CE1-CD2 3.45Å; F46-L60 HydrophobicContact CE1-CG 4.43Å; F46-L60 HydrophobicContact CZ-CD2 3.92Å; F46-V61 HydrophobicContact CE2-CG2 4.26Å; F46-V61 HydrophobicContact CZ-CG2 3.82Å |
| 47 | N | 94.7 | Very high | 93.2 | Very high | 125 Ų | 125 | 57.4 Ų | 57.4 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70.3 | -31.7 | 173.2 | -70.8 | -24.9 | 0 | 0 | 0 | 112.7 | T43 S44 L45 | T43-N47 VanDerWaalsContact O-CG 3.26Å; T43-N47 PolarHBondContact O-N 2.88Å; T43-N47 PolarHBondContact O-ND2 3.34Å; S44-N47 PolarHBondContact O-N 3.47Å; L45-N47 VanDerWaalsContact C-N 3.27Å; L45-N47 PolarHBondContact O-N 3.1Å |
| 48 | I | 93.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 62 Ų | 62 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.5 | -40.9 | 176.3 | -64.7 | 165.9 | 0 | 0 | 0 | 110.4 | S44 L45 P50 | S44-I48 WeakPolarHBondContact O-CG1 3.33Å; S44-I48 PolarHBondContact O-N 3.47Å; L45-I48 PolarHBondContact O-N 2.95Å; L45-I48 VanDerWaalsContact O-N 3.11Å; I48-P50 WeakPolarHBondContact O-CD 3.46Å |
| 49 | Y | 92.7 | Very high | 93.3 | Very high | 40 Ų | 40 | 64.3 Ų | 64.3 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | trans | -118.1 | 69.6 | -178 | -57.2 | -71.3 | 0 | 0 | 0 | 111.5 | L45 F46 K51 M52 Y57 I119 Q121 E131 S134 | L45-Y49 HydrophobicContact CD2-CD2 4.33Å; L45-Y49 HydrophobicContact CD2-CE2 4.17Å; L45-Y49 PolarHBondContact O-N 3.23Å; F46-Y49 CarbonylContact O-C 3.24Å; F46-Y49 VanDerWaalsContact O-C 3.27Å; Y49-K51 PolarHBondContact O-N 3.24Å; Y49-K51 VanDerWaalsContact O-N 3.11Å; Y49-M52 HydrophobicContact CD2-CE 3.98Å; Y49-M52 HydrophobicContact CG-CE 4.18Å; Y49-M52 WeakPolarHBondContact O-CB 3.3Å; Y49-M52 PolarHBondContact O-N 3.28Å; Y49-M52 VanDerWaalsContact O-N 3.13Å; Y49-Y57 PolarHBondContact O-OH 3.06Å; Y49-I119 HydrophobicContact CE2-CD1 3.79Å; Y49-Q121 HydrophobicContact CD1-CG 3.78Å; Y49-Q121 HydrophobicContact CE1-CG 3.61Å; Y49-Q121 HydrophobicContact CG-CG 4.37Å; Y49-E131 WeakPolarHBondContact OH-CA 3.4Å; Y49-S134 PolarHBondContact OH-OG 3.45Å | ||
| 50 | P | 90.1 | Very high | 93.4 | Very high | 98 Ų | 98 | 60.7 Ų | 60.7 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.6 | -177.9 | 28.2 | -36.3 | 0 | 0 | 0 | 113.9 | F46 I48 Y57 | F46-P50 WeakPolarHBondContact O-CA 2.98Å; I48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-Y57 PolarHBondContact O-OH 3.23Å |
| 51 | K | 90.3 | Very high | 93.4 | Very high | 199 Ų | 199 | 59.9 Ų | 59.9 | 87% | 0.865 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 21.1 | 177.2 | -60.3 | -175.5 | -178.1 | 179.9 | 0 | 112.3 | Y49 | Y49-K51 PolarHBondContact O-N 3.24Å; Y49-K51 VanDerWaalsContact O-N 3.11Å |
| 52 | M | 90.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.059 | 34% | 0.339 | C | S | . | . | trans | -58.4 | 151.4 | 175.5 | 172.1 | -177.2 | -63 | 0 | 0 | 109.7 | Y49 K56 Y57 S118 | Y49-M52 HydrophobicContact CD2-CE 3.98Å; Y49-M52 HydrophobicContact CG-CE 4.18Å; Y49-M52 WeakPolarHBondContact O-CB 3.3Å; Y49-M52 PolarHBondContact O-N 3.28Å; Y49-M52 VanDerWaalsContact O-N 3.13Å; M52-K56 HydrophobicContact CG-CB 3.53Å; M52-K56 HydrophobicContact CG-CD 4.31Å; M52-K56 HydrophobicContact CG-CG 4.5Å; M52-K56 HydrophobicContact SD-CB 3.72Å; M52-Y57 HydrophobicContact CB-CD2 3.98Å; M52-Y57 HydrophobicContact CB-CE1 4.32Å; M52-Y57 HydrophobicContact CB-CE2 3.45Å; M52-Y57 VanDerWaalsContact CB-CE2 3.45Å; M52-Y57 HydrophobicContact CG-CD2 3.87Å; M52-Y57 HydrophobicContact CG-CE2 3.89Å; M52-Y57 HydrophobicContact CG-CG 4.32Å; M52-Y57 WeakPolarHBondContact O-CE2 3.31Å; M52-Y57 HydrophobicContact SD-CD1 4.19Å; M52-Y57 HydrophobicContact SD-CD2 4.26Å; M52-Y57 HydrophobicContact SD-CE1 4.35Å; M52-Y57 HydrophobicContact SD-CG 4.1Å; M52-S118 VanDerWaalsContact CE-O 3.31Å; M52-S118 WeakPolarHBondContact CE-O 3.43Å | ||
| 53 | L | 92 | Very high | 93.5 | Very high | 81 Ų | 81 | 66 Ų | 66 | 42% | 0.424 | 34% | 0.339 | S | S | . | . | trans | -72.8 | 142.5 | 178.6 | -63.6 | 172.9 | 0 | 0 | 0 | 109.8 | Y55 K56 Y57 | L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 HydrophobicContact CB-CD1 3.88Å; L53-Y55 HydrophobicContact CB-CE1 3.69Å; L53-Y55 HydrophobicContact CD1-CE1 3.62Å; L53-Y55 HydrophobicContact CG-CE1 4.3Å; L53-Y55 PolarHBondContact O-N 3.28Å; L53-Y55 VanDerWaalsContact O-N 3.15Å; L53-K56 HydrophobicContact CB-CD 4.49Å; L53-K56 HydrophobicContact CB-CG 4.37Å; L53-K56 WeakPolarHBondContact O-CB 3.19Å; L53-K56 PolarHBondContact O-N 2.95Å; L53-Y57 WeakPolarHBondContact O-CD2 3.28Å; L53-Y57 PolarHBondContact O-N 3.36Å | ||
| 54 | S | 92.4 | Very high | 93.6 | Very high | 95 Ų | 95 | 62.8 Ų | 62.8 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -51.6 | -42.3 | -175.3 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | K56 Y57 D58 | S54-K56 VanDerWaalsContact C-N 3.29Å; S54-K56 PolarHBondContact O-N 3.32Å; S54-Y57 WeakPolarHBondContact O-CB 3.3Å; S54-Y57 PolarHBondContact O-N 3.05Å; S54-D58 PolarHBondContact O-N 2.82Å |
| 55 | Y | 93.7 | Very high | 93.6 | Very high | 108 Ų | 108 | 64.1 Ų | 64.1 | 42% | 0.424 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.9 | -29.3 | 179.5 | 76.8 | -94.1 | 0 | 0 | 0 | 113 | L53 D58 E59 N123 | L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 HydrophobicContact CB-CD1 3.88Å; L53-Y55 HydrophobicContact CB-CE1 3.69Å; L53-Y55 HydrophobicContact CD1-CE1 3.62Å; L53-Y55 HydrophobicContact CG-CE1 4.3Å; L53-Y55 PolarHBondContact O-N 3.28Å; L53-Y55 VanDerWaalsContact O-N 3.15Å; Y55-D58 PolarHBondContact O-N 3.26Å; Y55-E59 WeakPolarHBondContact O-CG 3.01Å; Y55-E59 PolarHBondContact O-N 3.41Å; Y55-N123 PolarHBondContact OH-OD1 2.89Å |
| 56 | K | 93.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 176.3 | -66.8 | -173.1 | 179.8 | 174.3 | 0 | 111.3 | M52 L53 S54 D58 E59 L60 N117 S118 D120 Q121 N123 | M52-K56 HydrophobicContact CG-CB 3.53Å; M52-K56 HydrophobicContact CG-CD 4.31Å; M52-K56 HydrophobicContact CG-CG 4.5Å; M52-K56 HydrophobicContact SD-CB 3.72Å; L53-K56 HydrophobicContact CB-CD 4.49Å; L53-K56 HydrophobicContact CB-CG 4.37Å; L53-K56 WeakPolarHBondContact O-CB 3.19Å; L53-K56 PolarHBondContact O-N 2.95Å; S54-K56 VanDerWaalsContact C-N 3.29Å; S54-K56 PolarHBondContact O-N 3.32Å; K56-D58 VanDerWaalsContact C-N 3.32Å; K56-E59 PolarHBondContact O-N 3.35Å; K56-L60 PolarHBondContact O-N 3.33Å; K56-L60 VanDerWaalsContact O-N 3.07Å; K56-N117 WeakPolarHBondContact CD-O 3.47Å; K56-N117 WeakPolarHBondContact CG-O 3.44Å; K56-S118 WeakPolarHBondContact O-CB 3.41Å; K56-D120 VanDerWaalsContact CE-O 3.24Å; K56-D120 WeakPolarHBondContact CE-O 3.48Å; K56-D120 PolarHBondContact NZ-O 2.9Å; K56-Q121 PolarHBondContact NZ-O 2.91Å; K56-N123 WeakPolarHBondContact CE-OD1 3.35Å; K56-N123 PolarHBondContact NZ-OD1 2.91Å |
| 57 | Y | 93 | Very high | 93.6 | Very high | 51 Ų | 51 | 63 Ų | 63 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 169 | -75.4 | -82.2 | 0 | 0 | 0 | 110.4 | F46 Y49 P50 M52 L53 S54 E59 L60 V61 | F46-Y57 HydrophobicContact CB-CE1 3.88Å; F46-Y57 AromaticContact CD1-CD1 3.26Å; F46-Y57 HydrophobicContact CD1-CD1 3.26Å; F46-Y57 AromaticContact CD1-CE1 3.15Å; F46-Y57 HydrophobicContact CD1-CE1 3.15Å; F46-Y57 HydrophobicContact CD2-CD1 4.24Å; F46-Y57 HydrophobicContact CD2-CE1 4.21Å; F46-Y57 AromaticContact CE1-CD1 3.17Å; F46-Y57 HydrophobicContact CE1-CD1 3.17Å; F46-Y57 AromaticContact CE1-CE1 3.64Å; F46-Y57 HydrophobicContact CE1-CE1 3.64Å; F46-Y57 HydrophobicContact CE1-CG 4.21Å; F46-Y57 HydrophobicContact CE2-CD1 4.17Å; F46-Y57 AromaticContact CG-CD1 3.82Å; F46-Y57 HydrophobicContact CG-CD1 3.82Å; F46-Y57 AromaticContact CG-CE1 3.48Å; F46-Y57 HydrophobicContact CG-CE1 3.48Å; F46-Y57 VanDerWaalsContact CG-CE1 3.48Å; F46-Y57 AromaticContact CZ-CD1 3.67Å; F46-Y57 HydrophobicContact CZ-CD1 3.67Å; F46-Y57 HydrophobicContact CZ-CE1 4.35Å; Y49-Y57 PolarHBondContact O-OH 3.06Å; P50-Y57 PolarHBondContact O-OH 3.23Å; M52-Y57 HydrophobicContact CB-CD2 3.98Å; M52-Y57 HydrophobicContact CB-CE1 4.32Å; M52-Y57 HydrophobicContact CB-CE2 3.45Å; M52-Y57 VanDerWaalsContact CB-CE2 3.45Å; M52-Y57 HydrophobicContact CG-CD2 3.87Å; M52-Y57 HydrophobicContact CG-CE2 3.89Å; M52-Y57 HydrophobicContact CG-CG 4.32Å; M52-Y57 WeakPolarHBondContact O-CE2 3.31Å; M52-Y57 HydrophobicContact SD-CD1 4.19Å; M52-Y57 HydrophobicContact SD-CD2 4.26Å; M52-Y57 HydrophobicContact SD-CE1 4.35Å; M52-Y57 HydrophobicContact SD-CG 4.1Å; L53-Y57 WeakPolarHBondContact O-CD2 3.28Å; L53-Y57 PolarHBondContact O-N 3.36Å; S54-Y57 WeakPolarHBondContact O-CB 3.3Å; S54-Y57 PolarHBondContact O-N 3.05Å; Y57-E59 PolarHBondContact O-N 3.3Å; Y57-L60 PolarHBondContact O-N 2.91Å; Y57-V61 WeakPolarHBondContact O-CG2 3.47Å; Y57-V61 PolarHBondContact O-N 3.15Å |
| 58 | D | 94.1 | Very high | 93.7 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 57% | 0.572 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | -179.3 | -65.8 | -25.1 | 0 | 0 | 0 | 111.9 | S54 Y55 K56 L60 V61 K62 | S54-D58 PolarHBondContact O-N 2.82Å; Y55-D58 PolarHBondContact O-N 3.26Å; K56-D58 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.25Å; D58-V61 PolarHBondContact O-N 2.85Å; D58-K62 WeakPolarHBondContact O-CB 3.33Å; D58-K62 PolarHBondContact O-N 3.45Å |
| 59 | E | 94.7 | Very high | 93.8 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.7 | -72.7 | -58 | 150.2 | 0 | 0 | 112 | Y55 K56 Y57 T63 P114 | Y55-E59 WeakPolarHBondContact O-CG 3.01Å; Y55-E59 PolarHBondContact O-N 3.41Å; K56-E59 PolarHBondContact O-N 3.35Å; Y57-E59 PolarHBondContact O-N 3.3Å; E59-T63 PolarHBondContact O-N 2.91Å; E59-T63 PolarHBondContact O-OG1 3.28Å; E59-P114 HydrophobicContact CB-CB 4.3Å; E59-P114 VanDerWaalsContact OE2-CB 3.31Å; E59-P114 WeakPolarHBondContact OE2-CB 3.49Å; E59-P114 WeakPolarHBondContact OE2-CG 3.05Å |
| 60 | L | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -50.5 | 177.1 | -175.6 | 64.2 | 0 | 0 | 0 | 111.5 | L45 F46 K56 Y57 D58 K62 T63 L64 L115 | L45-L60 HydrophobicContact CB-CD2 3.97Å; L45-L60 HydrophobicContact CD1-CD1 4.03Å; L45-L60 HydrophobicContact CD1-CD2 3.56Å; L45-L60 HydrophobicContact CD1-CG 4.48Å; L45-L60 HydrophobicContact CG-CD2 4.4Å; F46-L60 HydrophobicContact CD1-CD2 4.27Å; F46-L60 HydrophobicContact CE1-CB 4.45Å; F46-L60 HydrophobicContact CE1-CD2 3.45Å; F46-L60 VanDerWaalsContact CE1-CD2 3.45Å; F46-L60 HydrophobicContact CE1-CG 4.43Å; F46-L60 HydrophobicContact CZ-CD2 3.92Å; K56-L60 PolarHBondContact O-N 3.33Å; K56-L60 VanDerWaalsContact O-N 3.07Å; Y57-L60 PolarHBondContact O-N 2.91Å; D58-L60 PolarHBondContact O-N 3.25Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 2.93Å; L60-T63 WeakPolarHBondContact O-CB 3.37Å; L60-T63 PolarHBondContact O-N 3.07Å; L60-T63 VanDerWaalsContact O-N 3.12Å; L60-L64 HydrophobicContact CD1-CG 4.45Å; L60-L64 HydrophobicContact CG-CD1 4.16Å; L60-L64 HydrophobicContact CG-CG 4.45Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 2.72Å; L60-L115 HydrophobicContact CD1-CD2 3.8Å |
| 61 | V | 94.9 | Very high | 94 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | -179.4 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | F46 Y57 D58 T63 L64 V65 | F46-V61 HydrophobicContact CE2-CG2 4.26Å; F46-V61 HydrophobicContact CZ-CG2 3.82Å; Y57-V61 WeakPolarHBondContact O-CG2 3.47Å; Y57-V61 PolarHBondContact O-N 3.15Å; D58-V61 PolarHBondContact O-N 2.85Å; V61-T63 VanDerWaalsContact C-N 3.27Å; V61-T63 PolarHBondContact O-N 3.39Å; V61-L64 PolarHBondContact O-N 3.33Å; V61-V65 HydrophobicContact CG1-CG2 4.14Å; V61-V65 WeakPolarHBondContact O-CB 3.39Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.29Å; V61-V65 PolarHBondContact O-N 3.13Å |
| 62 | K | 94.4 | Very high | 94.3 | Very high | 129 Ų | 129 | 42.3 Ų | 42.3 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -57.6 | -41.1 | 176.5 | -178.4 | -178.1 | 173.1 | -166.8 | 0 | 111.6 | D58 L60 Y66 | D58-K62 WeakPolarHBondContact O-CB 3.33Å; D58-K62 PolarHBondContact O-N 3.45Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 2.93Å; K62-Y66 VanDerWaalsContact O-CB 3.26Å; K62-Y66 WeakPolarHBondContact O-CB 3.39Å; K62-Y66 PolarHBondContact O-N 3.06Å |
| 63 | T | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 176.1 | -48.7 | 0 | 0 | 0 | 0 | 112 | E59 L60 V61 Y66 L67 F111 P114 L115 | E59-T63 PolarHBondContact O-N 2.91Å; E59-T63 PolarHBondContact O-OG1 3.28Å; L60-T63 WeakPolarHBondContact O-CB 3.37Å; L60-T63 PolarHBondContact O-N 3.07Å; L60-T63 VanDerWaalsContact O-N 3.12Å; V61-T63 VanDerWaalsContact C-N 3.27Å; V61-T63 PolarHBondContact O-N 3.39Å; T63-Y66 PolarHBondContact O-N 3.42Å; T63-L67 WeakPolarHBondContact O-CB 3.31Å; T63-L67 PolarHBondContact O-N 2.89Å; T63-F111 HydrophobicContact CG2-CD2 3.71Å; T63-F111 HydrophobicContact CG2-CE2 4.22Å; T63-P114 WeakPolarHBondContact OG1-CB 3.4Å; T63-L115 HydrophobicContact CG2-CD1 4.1Å; T63-L115 HydrophobicContact CG2-CD2 3.92Å; T63-L115 HydrophobicContact CG2-CG 3.64Å |
| 64 | L | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | -179.6 | -66.4 | 177.8 | 0 | 0 | 0 | 111.7 | I38 I41 L60 V61 L67 W68 | I38-L64 HydrophobicContact CG2-CB 4.05Å; I38-L64 HydrophobicContact CG2-CD2 3.91Å; I41-L64 HydrophobicContact CB-CD2 4.23Å; I41-L64 HydrophobicContact CD1-CD2 4.35Å; I41-L64 HydrophobicContact CG2-CD2 4.26Å; L60-L64 HydrophobicContact CD1-CG 4.45Å; L60-L64 HydrophobicContact CG-CD1 4.16Å; L60-L64 HydrophobicContact CG-CG 4.45Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 2.72Å; V61-L64 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 3.11Å; L64-W68 PolarHBondContact O-N 2.82Å |
| 65 | V | 94.6 | Very high | 94.4 | Very high | 61 Ų | 61 | 39.6 Ų | 39.6 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 173.5 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | V61 L67 W68 Y69 | V61-V65 HydrophobicContact CG1-CG2 4.14Å; V61-V65 WeakPolarHBondContact O-CB 3.39Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.29Å; V61-V65 PolarHBondContact O-N 3.13Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 3.39Å; V65-W68 PolarHBondContact O-N 3.41Å; V65-Y69 HydrophobicContact CB-CD2 4.48Å; V65-Y69 HydrophobicContact CG1-CD2 3.68Å; V65-Y69 HydrophobicContact CG1-CE2 4.02Å; V65-Y69 VanDerWaalsContact O-CD2 3.3Å; V65-Y69 WeakPolarHBondContact O-CD2 3.49Å; V65-Y69 PolarHBondContact O-N 3.07Å |
| 66 | Y | 95 | Very high | 94.3 | Very high | 13 Ų | 13 | 36 Ų | 36 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 176.4 | 172.6 | -110.8 | 0 | 0 | 0 | 111.8 | K62 T63 W68 D70 V71 L103 K110 | K62-Y66 VanDerWaalsContact O-CB 3.26Å; K62-Y66 WeakPolarHBondContact O-CB 3.39Å; K62-Y66 PolarHBondContact O-N 3.06Å; T63-Y66 PolarHBondContact O-N 3.42Å; Y66-W68 VanDerWaalsContact C-N 3.34Å; Y66-W68 PolarHBondContact O-N 2.88Å; Y66-D70 HydrophobicContact CD2-CB 3.6Å; Y66-D70 WeakPolarHBondContact CD2-OD2 3.09Å; Y66-D70 HydrophobicContact CE2-CB 3.61Å; Y66-D70 WeakPolarHBondContact O-CA 3.19Å; Y66-D70 WeakPolarHBondContact O-CB 3.37Å; Y66-D70 PolarHBondContact O-N 3.24Å; Y66-V71 HydrophobicContact CD1-CG2 4.44Å; Y66-V71 HydrophobicContact CE1-CG2 4Å; Y66-V71 PolarHBondContact O-N 2.84Å; Y66-L103 HydrophobicContact CE1-CD1 3.68Å; Y66-L103 WeakPolarHBondContact OH-CA 3.27Å; Y66-K110 HydrophobicContact CD1-CB 3.83Å; Y66-K110 HydrophobicContact CD2-CB 4.43Å; Y66-K110 HydrophobicContact CD2-CD 3.93Å; Y66-K110 HydrophobicContact CE1-CB 3.53Å; Y66-K110 HydrophobicContact CE1-CD 4.27Å; Y66-K110 HydrophobicContact CE2-CB 4.22Å; Y66-K110 HydrophobicContact CE2-CD 3.43Å; Y66-K110 VanDerWaalsContact CE2-CD 3.43Å; Y66-K110 HydrophobicContact CE2-CG 4.45Å; Y66-K110 HydrophobicContact CG-CB 4.27Å |
| 67 | L | 94.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -59.2 | -44.1 | 176.8 | -176.9 | 70.6 | 0 | 0 | 0 | 111.9 | I38 T63 L64 V65 V71 I72 F111 W139 | I38-L67 HydrophobicContact CG2-CD2 4.43Å; T63-L67 WeakPolarHBondContact O-CB 3.31Å; T63-L67 PolarHBondContact O-N 2.89Å; L64-L67 PolarHBondContact O-N 3.11Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 3.39Å; L67-V71 HydrophobicContact CD1-CB 4.24Å; L67-V71 HydrophobicContact CD1-CG1 4.22Å; L67-V71 VanDerWaalsContact O-CB 3.29Å; L67-V71 WeakPolarHBondContact O-CB 3.42Å; L67-V71 PolarHBondContact O-N 2.77Å; L67-I72 HydrophobicContact CD2-CD1 4.44Å; L67-I72 HydrophobicContact CG-CD1 3.97Å; L67-I72 WeakPolarHBondContact O-CG1 3.46Å; L67-I72 PolarHBondContact O-N 2.96Å; L67-F111 HydrophobicContact CD1-CE2 4.2Å; L67-W139 HydrophobicContact CD2-CH2 3.47Å; L67-W139 VanDerWaalsContact CD2-CH2 3.47Å; L67-W139 HydrophobicContact CD2-CZ2 4.13Å; L67-W139 HydrophobicContact CD2-CZ3 4.24Å |
| 68 | W | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -70.1 | -54.1 | -179.1 | -175.6 | -107.6 | 0 | 0 | 0 | 112.4 | L33 V35 I38 L64 V65 Y66 I72 C73 A81 I84 I86 | L33-W68 HydrophobicContact CB-CZ3 4.38Å; V35-W68 HydrophobicContact CB-CD2 4.21Å; V35-W68 HydrophobicContact CB-CG 4.48Å; V35-W68 HydrophobicContact CB-CZ2 4.01Å; V35-W68 HydrophobicContact CG2-CD2 4.33Å; V35-W68 HydrophobicContact CG2-CG 4.12Å; V35-W68 VanDerWaalsContact N-CZ2 3.3Å; I38-W68 HydrophobicContact CG1-CE3 3.61Å; I38-W68 HydrophobicContact CG1-CZ3 4.08Å; L64-W68 PolarHBondContact O-N 2.82Å; V65-W68 PolarHBondContact O-N 3.41Å; Y66-W68 VanDerWaalsContact C-N 3.34Å; Y66-W68 PolarHBondContact O-N 2.88Å; W68-I72 HydrophobicContact CE3-CB 4.21Å; W68-I72 HydrophobicContact CE3-CD1 4.01Å; W68-I72 HydrophobicContact CE3-CG2 3.95Å; W68-I72 HydrophobicContact CZ3-CD1 4.45Å; W68-I72 HydrophobicContact CZ3-CG2 3.84Å; W68-I72 PolarHBondContact O-N 3.32Å; W68-C73 VanDerWaalsContact O-CB 3.25Å; W68-C73 WeakPolarHBondContact O-CB 3.31Å; W68-C73 PolarHBondContact O-N 2.95Å; W68-C73 PolarHBondContact O-SG 3Å; W68-A81 PolarHBondContact NE1-O 3.19Å; W68-I84 HydrophobicContact CZ2-CG2 4.03Å; W68-I86 HydrophobicContact CH2-CG1 3.97Å |
| 69 | Y | 94.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -81 | -43.1 | -170.1 | -72.9 | -87.3 | 0 | 0 | 0 | 113.2 | V65 R78 A81 T82 | V65-Y69 HydrophobicContact CB-CD2 4.48Å; V65-Y69 HydrophobicContact CG1-CD2 3.68Å; V65-Y69 HydrophobicContact CG1-CE2 4.02Å; V65-Y69 VanDerWaalsContact O-CD2 3.3Å; V65-Y69 WeakPolarHBondContact O-CD2 3.49Å; V65-Y69 PolarHBondContact O-N 3.07Å; Y69-R78 HydrophobicContact CD1-CB 4.42Å; Y69-R78 HydrophobicContact CD1-CG 4.19Å; Y69-A81 HydrophobicContact CD1-CB 3.68Å; Y69-A81 HydrophobicContact CE1-CB 3.69Å; Y69-T82 HydrophobicContact CE1-CG2 4.49Å; Y69-T82 WeakPolarHBondContact OH-CG2 3.33Å |
| 70 | D | 93.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -102.3 | -3.3 | -169.6 | -54.8 | -60.7 | 0 | 0 | 0 | 112.6 | Y66 I74 R78 | Y66-D70 HydrophobicContact CD2-CB 3.6Å; Y66-D70 WeakPolarHBondContact CD2-OD2 3.09Å; Y66-D70 HydrophobicContact CE2-CB 3.61Å; Y66-D70 WeakPolarHBondContact O-CA 3.19Å; Y66-D70 WeakPolarHBondContact O-CB 3.37Å; Y66-D70 PolarHBondContact O-N 3.24Å; D70-I74 WeakPolarHBondContact O-CG2 3.25Å; D70-R78 IonicContact OD1-CZ 2.7Å; D70-R78 IonicContact OD1-NE 2.8Å; D70-R78 IonicContact OD1-NH2 3.52Å; D70-R78 PolarHBondContact OD1-NH2 3.23Å; D70-R78 IonicContact OD2-NH2 3.78Å |
| 71 | V | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -122.1 | -53.7 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | Y66 L67 L95 S98 L103 | Y66-V71 HydrophobicContact CD1-CG2 4.44Å; Y66-V71 HydrophobicContact CE1-CG2 4Å; Y66-V71 PolarHBondContact O-N 2.84Å; L67-V71 HydrophobicContact CD1-CB 4.24Å; L67-V71 HydrophobicContact CD1-CG1 4.22Å; L67-V71 VanDerWaalsContact O-CB 3.29Å; L67-V71 WeakPolarHBondContact O-CB 3.42Å; L67-V71 PolarHBondContact O-N 2.77Å; V71-L95 HydrophobicContact CG1-CD1 3.44Å; V71-L95 VanDerWaalsContact CG1-CD1 3.44Å; V71-S98 WeakPolarHBondContact CA-OG 3.5Å; V71-S98 PolarHBondContact O-OG 3.4Å; V71-L103 HydrophobicContact CB-CD2 4.47Å; V71-L103 HydrophobicContact CG1-CD2 3.7Å; V71-L103 HydrophobicContact CG2-CB 4.33Å; V71-L103 HydrophobicContact CG2-CD1 4.16Å; V71-L103 HydrophobicContact CG2-CD2 3.9Å; V71-L103 HydrophobicContact CG2-CG 4.36Å |
| 72 | I | 95.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -82.4 | -39.6 | -174.6 | -65.8 | 169.4 | 0 | 0 | 0 | 111.8 | I38 L67 W68 I86 F91 N94 | I38-I72 HydrophobicContact CD1-CD1 4.11Å; I38-I72 HydrophobicContact CG1-CD1 4.38Å; L67-I72 HydrophobicContact CD2-CD1 4.44Å; L67-I72 HydrophobicContact CG-CD1 3.97Å; L67-I72 WeakPolarHBondContact O-CG1 3.46Å; L67-I72 PolarHBondContact O-N 2.96Å; W68-I72 HydrophobicContact CE3-CB 4.21Å; W68-I72 HydrophobicContact CE3-CD1 4.01Å; W68-I72 HydrophobicContact CE3-CG2 3.95Å; W68-I72 HydrophobicContact CZ3-CD1 4.45Å; W68-I72 HydrophobicContact CZ3-CG2 3.84Å; W68-I72 PolarHBondContact O-N 3.32Å; I72-I86 HydrophobicContact CG2-CB 4.31Å; I72-I86 HydrophobicContact CG2-CG1 3.96Å; I72-I86 HydrophobicContact CG2-CG2 4.08Å; I72-F91 HydrophobicContact CD1-CD2 4.34Å; I72-F91 HydrophobicContact CD1-CE2 3.93Å; I72-F91 HydrophobicContact CG1-CD2 4.13Å; I72-F91 HydrophobicContact CG1-CE2 3.97Å; I72-F91 HydrophobicContact CG2-CD2 4.29Å; I72-N94 WeakPolarHBondContact O-CB 3.32Å; I72-N94 PolarHBondContact O-ND2 3.41Å |
| 73 | C | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -103.8 | 24.7 | -173.3 | -66.1 | 0 | 0 | 0 | 0 | 114.5 | W68 H75 V76 A81 | W68-C73 VanDerWaalsContact O-CB 3.25Å; W68-C73 WeakPolarHBondContact O-CB 3.31Å; W68-C73 PolarHBondContact O-N 2.95Å; W68-C73 PolarHBondContact O-SG 3Å; C73-H75 PolarHBondContact O-N 3.46Å; C73-V76 HydrophobicContact CB-CG2 3.76Å; C73-V76 VanDerWaalsContact O-CG2 3.23Å; C73-V76 WeakPolarHBondContact O-CG2 3.41Å; C73-V76 PolarHBondContact O-N 3.45Å; C73-A81 HydrophobicContact CB-CB 3.85Å |
| 74 | I | 92.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.3 | -175.7 | 61 | 166.7 | 0 | 0 | 0 | 115.6 | D70 N94 K97 | D70-I74 WeakPolarHBondContact O-CG2 3.25Å; I74-N94 HydrophobicContact CD1-CB 4.18Å; I74-N94 HydrophobicContact CG1-CB 3.92Å; I74-K97 HydrophobicContact CD1-CB 3.94Å; I74-K97 HydrophobicContact CD1-CD 3.7Å; I74-K97 HydrophobicContact CD1-CG 3.88Å |
| 75 | H | 90.9 | Very high | 92.6 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 35% | 0.347 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.7 | -178.6 | 63.7 | -70.3 | 0 | 0 | 0 | 112.4 | C73 I86 L90 N94 | C73-H75 PolarHBondContact O-N 3.46Å; H75-I86 VanDerWaalsContact CE1-CD1 3.47Å; H75-I86 WeakPolarHBondContact CE1-CD1 3.21Å; H75-L90 WeakPolarHBondContact NE2-CD2 3.45Å; H75-N94 PolarHBondContact CE1-ND2 2.86Å; H75-N94 PolarHBondContact ND1-ND2 3.46Å |
| 76 | V | 91.3 | Very high | 92.6 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 20% | 0.2 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -119.8 | 151.5 | 179.8 | -70.8 | 0 | 0 | 0 | 0 | 113 | C73 A81 I84 | C73-V76 HydrophobicContact CB-CG2 3.76Å; C73-V76 VanDerWaalsContact O-CG2 3.23Å; C73-V76 WeakPolarHBondContact O-CG2 3.41Å; C73-V76 PolarHBondContact O-N 3.45Å; V76-A81 HydrophobicContact CG2-CB 4.06Å; V76-I84 HydrophobicContact CB-CD1 4.31Å; V76-I84 HydrophobicContact CG1-CD1 3.41Å; V76-I84 VanDerWaalsContact CG1-CD1 3.41Å; V76-I84 HydrophobicContact CG2-CD1 4.08Å |
| 77 | P | 90.1 | Very high | 92.5 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | trans | -58.1 | 143.8 | 167.7 | -21.2 | 32.3 | 0 | 0 | 0 | 111.6 | Q79 L80 A81 | P77-Q79 PolarHBondContact O-N 3.25Å; P77-L80 HydrophobicContact CG-CD1 4.43Å; P77-L80 PolarHBondContact O-N 3.02Å; P77-A81 PolarHBondContact O-N 3.03Å | ||
| 78 | R | 88.3 | Confident | 92.4 | Very high | 155 Ų | 155 | 54 Ų | 54 | 59% | 0.585 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -32.4 | -178.8 | -77.1 | -173.1 | 170.6 | -170.3 | -5 | 113.7 | Y69 D70 L80 A81 | Y69-R78 HydrophobicContact CD1-CB 4.42Å; Y69-R78 HydrophobicContact CD1-CG 4.19Å; D70-R78 IonicContact OD1-CZ 2.7Å; D70-R78 IonicContact OD1-NE 2.8Å; D70-R78 IonicContact OD1-NH2 3.52Å; D70-R78 PolarHBondContact OD1-NH2 3.23Å; D70-R78 IonicContact OD2-NH2 3.78Å; R78-L80 VanDerWaalsContact C-N 3.27Å; R78-L80 PolarHBondContact O-N 3.22Å; R78-A81 PolarHBondContact O-N 2.81Å |
| 79 | Q | 88.9 | Confident | 92.1 | Very high | 154 Ų | 154 | 56 Ų | 56 | 72% | 0.72 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.5 | -179.7 | -60.4 | 80.1 | 4.5 | 0 | 0 | 113.1 | P77 | P77-Q79 PolarHBondContact O-N 3.25Š|
| 80 | L | 91.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -17 | 179.4 | -62.8 | 179.6 | 0 | 0 | 0 | 112.6 | P77 R78 T82 T83 I84 | P77-L80 HydrophobicContact CG-CD1 4.43Å; P77-L80 PolarHBondContact O-N 3.02Å; R78-L80 VanDerWaalsContact C-N 3.27Å; R78-L80 PolarHBondContact O-N 3.22Å; L80-T82 PolarHBondContact O-N 3.25Å; L80-T83 PolarHBondContact O-N 3.2Å; L80-T83 PolarHBondContact O-OG1 2.98Å; L80-I84 PolarHBondContact O-N 3.44Å |
| 81 | A | 91.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W68 Y69 C73 V76 P77 R78 T83 I84 | W68-A81 PolarHBondContact NE1-O 3.19Å; Y69-A81 HydrophobicContact CD1-CB 3.68Å; Y69-A81 HydrophobicContact CE1-CB 3.69Å; C73-A81 HydrophobicContact CB-CB 3.85Å; V76-A81 HydrophobicContact CG2-CB 4.06Å; P77-A81 PolarHBondContact O-N 3.03Å; R78-A81 PolarHBondContact O-N 2.81Å; A81-T83 VanDerWaalsContact C-N 3.34Å; A81-I84 WeakPolarHBondContact O-CG2 3.35Å |
| 82 | T | 89.8 | Confident | 92.1 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27.1 | 177.9 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | V35 Y69 L80 | V35-T82 WeakPolarHBondContact CG1-O 3.43Å; Y69-T82 HydrophobicContact CE1-CG2 4.49Å; Y69-T82 WeakPolarHBondContact OH-CG2 3.33Å; L80-T82 PolarHBondContact O-N 3.25Å |
| 83 | T | 90.3 | Very high | 92.1 | Very high | 115 Ų | 115 | 60.2 Ų | 60.2 | 71% | 0.706 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -114 | 3.5 | -173.1 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | L80 A81 | L80-T83 PolarHBondContact O-N 3.2Å; L80-T83 PolarHBondContact O-OG1 2.98Å; A81-T83 VanDerWaalsContact C-N 3.34Å |
| 84 | I | 93 | Very high | 92.2 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | trans | -82 | 148.4 | -177.4 | -162.9 | 166.1 | 0 | 0 | 0 | 111.6 | W68 V76 L80 A81 I86 | W68-I84 HydrophobicContact CZ2-CG2 4.03Å; V76-I84 HydrophobicContact CB-CD1 4.31Å; V76-I84 HydrophobicContact CG1-CD1 3.41Å; V76-I84 VanDerWaalsContact CG1-CD1 3.41Å; V76-I84 HydrophobicContact CG2-CD1 4.08Å; L80-I84 PolarHBondContact O-N 3.44Å; A81-I84 WeakPolarHBondContact O-CG2 3.35Å; I84-I86 HydrophobicContact CD1-CD1 3.91Å; I84-I86 HydrophobicContact CG1-CD1 3.97Å; I84-I86 HydrophobicContact CG2-CD1 3.85Å; I84-I86 HydrophobicContact CG2-CG1 4.2Å | ||
| 85 | T | 93.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | trans | -105.2 | 129.6 | 167.8 | 56.3 | 0 | 0 | 0 | 0 | 109.6 | Y32 L33 M34 | Y32-T85 VanDerWaalsContact CD2-CB 3.43Å; Y32-T85 HydrophobicContact CD2-CG2 3.37Å; Y32-T85 HydrophobicContact CE2-CG2 3.44Å; Y32-T85 VanDerWaalsContact CE2-CG2 3.44Å; Y32-T85 HydrophobicContact CG-CG2 4.12Å; L33-T85 CarbonylContact O-C 3.28Å; L33-T85 WeakPolarHBondContact O-CA 3.41Å; M34-T85 HydrophobicContact CG-CG2 3.95Å; M34-T85 HydrophobicContact SD-CG2 4.25Å | ||
| 86 | I | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 114.2 | -177.5 | -56.9 | -58.4 | 0 | 0 | 0 | 109.6 | F22 Y32 L33 W68 I72 H75 I84 L90 F91 | F22-I86 WeakPolarHBondContact CE2-O 3.29Å; Y32-I86 CarbonylContact C-O 3.27Å; Y32-I86 VanDerWaalsContact C-O 3.31Å; Y32-I86 WeakPolarHBondContact CA-O 3.44Å; Y32-I86 WeakPolarHBondContact CB-O 3.18Å; L33-I86 PolarHBondContact N-O 3.26Å; L33-I86 PolarHBondContact O-N 3.45Å; W68-I86 HydrophobicContact CH2-CG1 3.97Å; I72-I86 HydrophobicContact CG2-CB 4.31Å; I72-I86 HydrophobicContact CG2-CG1 3.96Å; I72-I86 HydrophobicContact CG2-CG2 4.08Å; H75-I86 VanDerWaalsContact CE1-CD1 3.47Å; H75-I86 WeakPolarHBondContact CE1-CD1 3.21Å; I84-I86 HydrophobicContact CD1-CD1 3.91Å; I84-I86 HydrophobicContact CG1-CD1 3.97Å; I84-I86 HydrophobicContact CG2-CD1 3.85Å; I84-I86 HydrophobicContact CG2-CG1 4.2Å; I86-L90 HydrophobicContact CD1-CD2 4.03Å; I86-L90 HydrophobicContact CG2-CB 4.21Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; I86-F91 HydrophobicContact CG2-CB 3.91Å |
| 87 | N | 93.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 169.6 | 174.3 | 70 | 41.1 | 0 | 0 | 0 | 112.2 | N89 L90 F91 | N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 2.88Å; N87-N89 PolarHBondContact OD1-N 3.16Å; N87-N89 VanDerWaalsContact OD1-N 3.15Å; N87-L90 PolarHBondContact O-N 3.38Å; N87-L90 WeakPolarHBondContact OD1-CB 3.3Å; N87-L90 PolarHBondContact OD1-N 3.32Å; N87-F91 WeakPolarHBondContact O-CB 3.38Å; N87-F91 PolarHBondContact O-N 2.92Å |
| 88 | E | 91 | Very high | 93 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | -176.7 | -170.5 | -177.1 | 94.5 | 0 | 0 | 113.4 | R19 F22 F91 I92 Y191 R193 | R19-E88 WeakPolarHBondContact CD-OE1 3.27Å; R19-E88 HydrophobicContact CG-CG 4.2Å; R19-E88 WeakPolarHBondContact CG-OE1 3.39Å; R19-E88 IonicContact NE-OE1 3.58Å; R19-E88 PolarHBondContact NE-OE1 2.82Å; F22-E88 HydrophobicContact CB-CG 4.24Å; F22-E88 HydrophobicContact CD1-CB 3.64Å; F22-E88 HydrophobicContact CD1-CG 3.65Å; F22-E88 HydrophobicContact CD2-CB 4.31Å; F22-E88 HydrophobicContact CD2-CG 4.49Å; F22-E88 HydrophobicContact CE1-CB 3.58Å; F22-E88 HydrophobicContact CE1-CG 4.14Å; F22-E88 HydrophobicContact CE2-CB 4.22Å; F22-E88 HydrophobicContact CG-CB 4.03Å; F22-E88 HydrophobicContact CG-CG 3.87Å; F22-E88 HydrophobicContact CZ-CB 3.88Å; E88-F91 WeakPolarHBondContact O-CB 3.37Å; E88-F91 PolarHBondContact O-N 3.44Å; E88-I92 HydrophobicContact CG-CD1 3.92Å; E88-I92 WeakPolarHBondContact O-CD1 3.35Å; E88-I92 VanDerWaalsContact O-CG1 3.23Å; E88-I92 WeakPolarHBondContact O-CG1 3.36Å; E88-I92 PolarHBondContact O-N 3.1Å; E88-Y191 PolarHBondContact OE1-OH 3.5Å; E88-Y191 VanDerWaalsContact OE1-OH 3.07Å; E88-Y191 PolarHBondContact OE2-OH 2.77Å; E88-R193 IonicContact OE1-CZ 3.65Å; E88-R193 IonicContact OE1-NE 3.73Å; E88-R193 PolarHBondContact OE1-NE 3.4Å; E88-R193 IonicContact OE1-NH2 3.12Å; E88-R193 PolarHBondContact OE1-NH2 2.92Å; E88-R193 IonicContact OE2-NH2 2.69Å |
| 89 | N | 91.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -47.6 | -176.6 | -77.6 | -0.6 | 0 | 0 | 0 | 110.6 | N87 F91 I92 E93 R193 E195 | N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 2.88Å; N87-N89 PolarHBondContact OD1-N 3.16Å; N87-N89 VanDerWaalsContact OD1-N 3.15Å; N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 PolarHBondContact O-N 3.24Å; N89-I92 PolarHBondContact O-N 3.01Å; N89-E93 WeakPolarHBondContact O-CG 3.32Å; N89-E93 PolarHBondContact O-N 3.01Å; N89-R193 VanDerWaalsContact CG-NH1 3.34Å; N89-R193 PolarHBondContact ND2-NH1 2.93Å; N89-R193 PolarHBondContact OD1-NH1 3.03Å; N89-E195 PolarHBondContact ND2-OE1 3.38Å |
| 90 | L | 93.5 | Very high | 93.4 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 179 | -171 | 55.3 | 0 | 0 | 0 | 111.4 | H75 I86 N87 N94 | H75-L90 WeakPolarHBondContact NE2-CD2 3.45Å; I86-L90 HydrophobicContact CD1-CD2 4.03Å; I86-L90 HydrophobicContact CG2-CB 4.21Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; N87-L90 PolarHBondContact O-N 3.38Å; N87-L90 WeakPolarHBondContact OD1-CB 3.3Å; N87-L90 PolarHBondContact OD1-N 3.32Å; L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 3.25Å; L90-N94 PolarHBondContact O-ND2 3.31Å; L90-N94 VanDerWaalsContact O-ND2 3.07Å |
| 91 | F | 95.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -49.8 | 172.2 | 174.7 | -97.2 | 0 | 0 | 0 | 111.7 | L21 F22 L33 I72 I86 N87 E88 N89 L95 | L21-F91 HydrophobicContact CD2-CE1 4.49Å; L21-F91 HydrophobicContact CD2-CZ 4.05Å; L21-F91 HydrophobicContact CG-CZ 4.28Å; F22-F91 HydrophobicContact CB-CD1 3.86Å; F22-F91 HydrophobicContact CB-CE1 3.99Å; F22-F91 HydrophobicContact CD2-CB 3.68Å; F22-F91 AromaticContact CD2-CD1 3.82Å; F22-F91 HydrophobicContact CD2-CD1 3.82Å; F22-F91 HydrophobicContact CD2-CD2 4.21Å; F22-F91 AromaticContact CD2-CG 3.64Å; F22-F91 HydrophobicContact CD2-CG 3.64Å; F22-F91 HydrophobicContact CE2-CB 4.03Å; F22-F91 HydrophobicContact CE2-CG 4.4Å; F22-F91 HydrophobicContact CG-CD1 4.29Å; L33-F91 HydrophobicContact CD1-CD2 3.91Å; L33-F91 HydrophobicContact CD1-CE2 4.06Å; I72-F91 HydrophobicContact CD1-CD2 4.34Å; I72-F91 HydrophobicContact CD1-CE2 3.93Å; I72-F91 HydrophobicContact CG1-CD2 4.13Å; I72-F91 HydrophobicContact CG1-CE2 3.97Å; I72-F91 HydrophobicContact CG2-CD2 4.29Å; I86-F91 HydrophobicContact CG2-CB 3.91Å; N87-F91 WeakPolarHBondContact O-CB 3.38Å; N87-F91 PolarHBondContact O-N 2.92Å; E88-F91 WeakPolarHBondContact O-CB 3.37Å; E88-F91 PolarHBondContact O-N 3.44Å; N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 PolarHBondContact O-N 3.24Å; F91-L95 HydrophobicContact CE1-CD2 3.98Å; F91-L95 HydrophobicContact CZ-CD2 3.95Å; F91-L95 WeakPolarHBondContact O-CB 3.14Å; F91-L95 PolarHBondContact O-N 3.36Å |
| 92 | I | 94.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -46.1 | -178.3 | -67.4 | 167.5 | 0 | 0 | 0 | 111.2 | W14 M18 R19 E88 N89 L95 L96 | W14-I92 HydrophobicContact CH2-CG2 4.15Å; W14-I92 HydrophobicContact CZ3-CG2 3.67Å; M18-I92 HydrophobicContact CB-CG1 3.98Å; R19-I92 HydrophobicContact CG-CD1 3.44Å; R19-I92 VanDerWaalsContact CG-CD1 3.44Å; E88-I92 HydrophobicContact CG-CD1 3.92Å; E88-I92 WeakPolarHBondContact O-CD1 3.35Å; E88-I92 VanDerWaalsContact O-CG1 3.23Å; E88-I92 WeakPolarHBondContact O-CG1 3.36Å; E88-I92 PolarHBondContact O-N 3.1Å; N89-I92 PolarHBondContact O-N 3.01Å; I92-L95 PolarHBondContact O-N 3.27Å; I92-L96 WeakPolarHBondContact O-CB 3.21Å; I92-L96 PolarHBondContact O-N 3.08Å |
| 93 | E | 94.8 | Very high | 93.5 | Very high | 126 Ų | 126 | 47.6 Ų | 47.6 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.5 | -46.7 | 179.2 | -74.1 | 177.4 | -174.8 | 0 | 0 | 111.8 | N89 L96 K97 | N89-E93 WeakPolarHBondContact O-CG 3.32Å; N89-E93 PolarHBondContact O-N 3.01Å; E93-L96 PolarHBondContact O-N 2.91Å; E93-K97 WeakPolarHBondContact O-CB 3.44Å; E93-K97 PolarHBondContact O-N 3.02Å |
| 94 | N | 96 | Very high | 93.6 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 179.5 | -69.6 | -24.2 | 0 | 0 | 0 | 111.9 | I72 I74 H75 L90 K97 S98 | I72-N94 WeakPolarHBondContact O-CB 3.32Å; I72-N94 PolarHBondContact O-ND2 3.41Å; I74-N94 HydrophobicContact CD1-CB 4.18Å; I74-N94 HydrophobicContact CG1-CB 3.92Å; H75-N94 PolarHBondContact CE1-ND2 2.86Å; H75-N94 PolarHBondContact ND1-ND2 3.46Å; L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 3.25Å; L90-N94 PolarHBondContact O-ND2 3.31Å; L90-N94 VanDerWaalsContact O-ND2 3.07Å; N94-K97 PolarHBondContact O-N 3.12Å; N94-S98 WeakPolarHBondContact O-CB 3.3Å; N94-S98 PolarHBondContact O-N 3.34Å; N94-S98 PolarHBondContact O-OG 3.46Å |
| 95 | L | 96 | Very high | 93.5 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.5 | -174.2 | 57.1 | 0 | 0 | 0 | 111.2 | W14 M18 V71 F91 I92 S98 L99 L103 F172 | W14-L95 HydrophobicContact CZ2-CG 4.42Å; M18-L95 HydrophobicContact CG-CD2 4.09Å; M18-L95 HydrophobicContact SD-CD2 3.27Å; M18-L95 WeakPolarHBondContact SD-CD2 3.47Å; M18-L95 HydrophobicContact SD-CG 4.32Å; V71-L95 HydrophobicContact CG1-CD1 3.44Å; V71-L95 VanDerWaalsContact CG1-CD1 3.44Å; F91-L95 HydrophobicContact CE1-CD2 3.98Å; F91-L95 HydrophobicContact CZ-CD2 3.95Å; F91-L95 WeakPolarHBondContact O-CB 3.14Å; F91-L95 PolarHBondContact O-N 3.36Å; I92-L95 PolarHBondContact O-N 3.27Å; L95-S98 PolarHBondContact O-N 2.71Å; L95-L99 HydrophobicContact CD1-CD1 4.06Å; L95-L99 HydrophobicContact CD1-CG 4.23Å; L95-L99 HydrophobicContact CG-CD1 3.9Å; L95-L99 HydrophobicContact CG-CG 4.5Å; L95-L99 VanDerWaalsContact O-CB 3.23Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.17Å; L95-L99 PolarHBondContact O-N 3.47Å; L95-L103 HydrophobicContact CD1-CD2 4.14Å; L95-F172 HydrophobicContact CD2-CE1 4.49Å |
| 96 | L | 95.7 | Very high | 93.5 | Very high | 39 Ų | 39 | 48 Ų | 48 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.6 | -176.1 | 58.6 | 0 | 0 | 0 | 111.7 | V8 W14 I92 E93 L99 K100 | V8-L96 HydrophobicContact CG1-CD1 3.73Å; W14-L96 HydrophobicContact CE3-CD1 4.49Å; W14-L96 HydrophobicContact CH2-CB 3.59Å; W14-L96 HydrophobicContact CH2-CD1 3.99Å; W14-L96 HydrophobicContact CH2-CG 4.3Å; W14-L96 HydrophobicContact CZ2-CB 4.35Å; W14-L96 HydrophobicContact CZ2-CD1 4.23Å; W14-L96 HydrophobicContact CZ3-CB 4.03Å; W14-L96 HydrophobicContact CZ3-CD1 4.1Å; W14-L96 HydrophobicContact CZ3-CD2 4.46Å; W14-L96 HydrophobicContact CZ3-CG 4.42Å; I92-L96 WeakPolarHBondContact O-CB 3.21Å; I92-L96 PolarHBondContact O-N 3.08Å; E93-L96 PolarHBondContact O-N 2.91Å; L96-L99 PolarHBondContact O-N 2.88Å; L96-K100 HydrophobicContact CD1-CD 4.33Å; L96-K100 HydrophobicContact CG-CD 4.39Å; L96-K100 WeakPolarHBondContact O-CG 3.1Å; L96-K100 PolarHBondContact O-N 3.43Å |
| 97 | K | 95.3 | Very high | 93.4 | Very high | 146 Ų | 146 | 48 Ų | 48 | 64% | 0.635 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.5 | -42.6 | 178.2 | -178 | 174.1 | 172.7 | -170.8 | 0 | 111.4 | I74 E93 N94 K100 G101 | I74-K97 HydrophobicContact CD1-CB 3.94Å; I74-K97 HydrophobicContact CD1-CD 3.7Å; I74-K97 HydrophobicContact CD1-CG 3.88Å; E93-K97 WeakPolarHBondContact O-CB 3.44Å; E93-K97 PolarHBondContact O-N 3.02Å; N94-K97 PolarHBondContact O-N 3.12Å; K97-K100 PolarHBondContact O-N 3.49Å; K97-G101 PolarHBondContact O-N 3.26Å |
| 98 | S | 94.7 | Very high | 93.4 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 177.1 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | V71 N94 L95 K100 G101 E102 L103 | V71-S98 WeakPolarHBondContact CA-OG 3.5Å; V71-S98 PolarHBondContact O-OG 3.4Å; N94-S98 WeakPolarHBondContact O-CB 3.3Å; N94-S98 PolarHBondContact O-N 3.34Å; N94-S98 PolarHBondContact O-OG 3.46Å; L95-S98 PolarHBondContact O-N 2.71Å; S98-K100 PolarHBondContact O-N 2.94Å; S98-G101 CarbonylContact O-C 3.6Å; S98-G101 VanDerWaalsContact O-C 3.24Å; S98-G101 WeakPolarHBondContact O-CA 3.2Å; S98-G101 PolarHBondContact O-N 2.96Å; S98-E102 PolarHBondContact O-N 2.65Å; S98-L103 WeakPolarHBondContact O-CB 3.44Å; S98-L103 PolarHBondContact O-N 2.85Å; S98-L103 VanDerWaalsContact O-N 3.08Å |
| 99 | L | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.9 | -13.6 | 177.1 | -79.9 | 170.9 | 0 | 0 | 0 | 114.2 | V8 W14 L95 L96 L103 H104 F107 F172 I173 | V8-L99 HydrophobicContact CG1-CB 4.36Å; V8-L99 HydrophobicContact CG2-CB 4.12Å; V8-L99 WeakPolarHBondContact CG2-O 3.26Å; W14-L99 HydrophobicContact CZ2-CD1 3.73Å; L95-L99 HydrophobicContact CD1-CD1 4.06Å; L95-L99 HydrophobicContact CD1-CG 4.23Å; L95-L99 HydrophobicContact CG-CD1 3.9Å; L95-L99 HydrophobicContact CG-CG 4.5Å; L95-L99 VanDerWaalsContact O-CB 3.23Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 VanDerWaalsContact O-CG 3.31Å; L95-L99 WeakPolarHBondContact O-CG 3.17Å; L95-L99 PolarHBondContact O-N 3.47Å; L96-L99 PolarHBondContact O-N 2.88Å; L99-L103 HydrophobicContact CD2-CD2 3.62Å; L99-L103 HydrophobicContact CD2-CG 3.96Å; L99-L103 HydrophobicContact CG-CD2 3.84Å; L99-H104 VanDerWaalsContact O-CB 3.26Å; L99-H104 WeakPolarHBondContact O-CB 3.39Å; L99-H104 PolarHBondContact O-CD2 3.48Å; L99-H104 VanDerWaalsContact O-CD2 3.31Å; L99-F107 HydrophobicContact CD2-CD2 4.36Å; L99-F107 HydrophobicContact CD2-CE2 4.28Å; L99-F172 WeakPolarHBondContact CD1-O 3.08Å; L99-F172 HydrophobicContact CD2-CB 4.49Å; L99-I173 HydrophobicContact CD2-CG1 4.38Å |
| 100 | K | 93.3 | Very high | 93.6 | Very high | 123 Ų | 123 | 53.8 Ų | 53.8 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.9 | 167.5 | -72.9 | 179.2 | 173.5 | 179.6 | 0 | 112.8 | V8 L96 K97 S98 | V8-K100 HydrophobicContact CB-CG 4.38Å; V8-K100 WeakPolarHBondContact O-CE 3.36Å; L96-K100 HydrophobicContact CD1-CD 4.33Å; L96-K100 HydrophobicContact CG-CD 4.39Å; L96-K100 WeakPolarHBondContact O-CG 3.1Å; L96-K100 PolarHBondContact O-N 3.43Å; K97-K100 PolarHBondContact O-N 3.49Å; S98-K100 PolarHBondContact O-N 2.94Å |
| 101 | G | 91.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 52 Ų | 52 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -125.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K97 S98 L103 H104 Q105 | K97-G101 PolarHBondContact O-N 3.26Å; S98-G101 CarbonylContact O-C 3.6Å; S98-G101 VanDerWaalsContact O-C 3.24Å; S98-G101 WeakPolarHBondContact O-CA 3.2Å; S98-G101 PolarHBondContact O-N 2.96Å; G101-L103 VanDerWaalsContact C-N 3.33Å; G101-L103 PolarHBondContact O-N 3.36Å; G101-H104 VanDerWaalsContact O-CB 3.3Å; G101-H104 WeakPolarHBondContact O-CB 3.38Å; G101-H104 PolarHBondContact O-N 3.39Å; G101-H104 VanDerWaalsContact O-N 3.08Å; G101-Q105 PolarHBondContact O-N 3.35Å |
| 102 | E | 90.1 | Very high | 93.6 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 43% | 0.425 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -36.8 | -170 | -170.5 | 179.9 | 164.6 | 0 | 0 | 113.7 | S98 H104 Q105 N106 K110 | S98-E102 PolarHBondContact O-N 2.65Å; E102-H104 VanDerWaalsContact C-N 3.29Å; E102-H104 PolarHBondContact O-N 2.76Å; E102-Q105 PolarHBondContact O-N 3.12Å; E102-N106 VanDerWaalsContact CG-ND2 3.3Å; E102-N106 WeakPolarHBondContact CG-ND2 3.24Å; E102-N106 WeakPolarHBondContact O-CB 3.46Å; E102-N106 PolarHBondContact O-N 3.11Å; E102-N106 PolarHBondContact O-ND2 2.81Å; E102-K110 IonicContact OE1-NZ 2.93Å; E102-K110 PolarHBondContact OE1-NZ 3.33Å |
| 103 | L | 92.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -29.3 | 178.6 | 177.8 | 63.6 | 0 | 0 | 0 | 111.6 | Y66 V71 L95 S98 L99 G101 F107 F111 | Y66-L103 HydrophobicContact CE1-CD1 3.68Å; Y66-L103 WeakPolarHBondContact OH-CA 3.27Å; V71-L103 HydrophobicContact CB-CD2 4.47Å; V71-L103 HydrophobicContact CG1-CD2 3.7Å; V71-L103 HydrophobicContact CG2-CB 4.33Å; V71-L103 HydrophobicContact CG2-CD1 4.16Å; V71-L103 HydrophobicContact CG2-CD2 3.9Å; V71-L103 HydrophobicContact CG2-CG 4.36Å; L95-L103 HydrophobicContact CD1-CD2 4.14Å; S98-L103 WeakPolarHBondContact O-CB 3.44Å; S98-L103 PolarHBondContact O-N 2.85Å; S98-L103 VanDerWaalsContact O-N 3.08Å; L99-L103 HydrophobicContact CD2-CD2 3.62Å; L99-L103 HydrophobicContact CD2-CG 3.96Å; L99-L103 HydrophobicContact CG-CD2 3.84Å; G101-L103 VanDerWaalsContact C-N 3.33Å; G101-L103 PolarHBondContact O-N 3.36Å; L103-F107 HydrophobicContact CD1-CD2 4.11Å; L103-F107 HydrophobicContact CG-CD2 4.18Å; L103-F107 WeakPolarHBondContact O-CA 3.29Å; L103-F107 WeakPolarHBondContact O-CB 3.01Å; L103-F107 PolarHBondContact O-N 2.97Å; L103-F111 HydrophobicContact CD1-CB 4.23Å |
| 104 | H | 92.5 | Very high | 93.7 | Very high | 45 Ų | 45 | 48.1 Ų | 48.1 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -55.3 | 172.7 | -164.6 | -95.8 | 0 | 0 | 0 | 110.1 | L5 P6 L99 G101 E102 N106 F107 | L5-H104 WeakPolarHBondContact CB-NE2 3.36Å; L5-H104 WeakPolarHBondContact CD1-O 3.21Å; L5-H104 PolarHBondContact O-CE1 3.2Å; P6-H104 PolarHBondContact O-NE2 2.9Å; L99-H104 VanDerWaalsContact O-CB 3.26Å; L99-H104 WeakPolarHBondContact O-CB 3.39Å; L99-H104 PolarHBondContact O-CD2 3.48Å; L99-H104 VanDerWaalsContact O-CD2 3.31Å; G101-H104 VanDerWaalsContact O-CB 3.3Å; G101-H104 WeakPolarHBondContact O-CB 3.38Å; G101-H104 PolarHBondContact O-N 3.39Å; G101-H104 VanDerWaalsContact O-N 3.08Å; E102-H104 VanDerWaalsContact C-N 3.29Å; E102-H104 PolarHBondContact O-N 2.76Å; H104-N106 VanDerWaalsContact C-N 3.26Å; H104-N106 PolarHBondContact O-N 3.27Å; H104-F107 WeakPolarHBondContact O-CB 3.48Å; H104-F107 PolarHBondContact O-N 3.06Å |
| 105 | Q | 90.9 | Very high | 93.6 | Very high | 155 Ų | 155 | 47.7 Ų | 47.7 | 72% | 0.724 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.5 | -37.7 | -175.7 | -64.5 | 175.4 | 0.9 | 0 | 0 | 112.2 | G101 E102 | G101-Q105 PolarHBondContact O-N 3.35Å; E102-Q105 PolarHBondContact O-N 3.12Å |
| 106 | N | 92 | Very high | 93.6 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 18.5 | -175.4 | -56.6 | -63.9 | 0 | 0 | 0 | 113 | E102 H104 N108 E109 K110 | E102-N106 VanDerWaalsContact CG-ND2 3.3Å; E102-N106 WeakPolarHBondContact CG-ND2 3.24Å; E102-N106 WeakPolarHBondContact O-CB 3.46Å; E102-N106 PolarHBondContact O-N 3.11Å; E102-N106 PolarHBondContact O-ND2 2.81Å; H104-N106 VanDerWaalsContact C-N 3.26Å; H104-N106 PolarHBondContact O-N 3.27Å; N106-N108 VanDerWaalsContact C-N 3.29Å; N106-N108 PolarHBondContact O-N 2.85Å; N106-E109 PolarHBondContact O-N 2.98Å; N106-K110 HydrophobicContact CB-CB 4.19Å; N106-K110 HydrophobicContact CB-CD 3.75Å; N106-K110 HydrophobicContact CB-CG 3.83Å; N106-K110 PolarHBondContact O-N 3.08Å |
| 107 | F | 93.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -56.4 | -45.9 | -173.4 | -169.2 | -106.9 | 0 | 0 | 0 | 111.4 | L5 L99 L103 H104 F111 I112 L165 F168 I169 F172 I173 | L5-F107 HydrophobicContact CD1-CB 3.48Å; L5-F107 VanDerWaalsContact CD1-CB 3.48Å; L5-F107 HydrophobicContact CD1-CD1 4.4Å; L5-F107 HydrophobicContact CD1-CG 4.17Å; L5-F107 HydrophobicContact CD2-CD1 4.31Å; L99-F107 HydrophobicContact CD2-CD2 4.36Å; L99-F107 HydrophobicContact CD2-CE2 4.28Å; L103-F107 HydrophobicContact CD1-CD2 4.11Å; L103-F107 HydrophobicContact CG-CD2 4.18Å; L103-F107 WeakPolarHBondContact O-CA 3.29Å; L103-F107 WeakPolarHBondContact O-CB 3.01Å; L103-F107 PolarHBondContact O-N 2.97Å; H104-F107 WeakPolarHBondContact O-CB 3.48Å; H104-F107 PolarHBondContact O-N 3.06Å; F107-F111 HydrophobicContact CD2-CD1 4.31Å; F107-F111 AromaticContact CE2-CD1 3.79Å; F107-F111 HydrophobicContact CE2-CD1 3.79Å; F107-F111 HydrophobicContact CE2-CE1 4.25Å; F107-F111 HydrophobicContact CZ-CD1 4.04Å; F107-F111 HydrophobicContact CZ-CE1 4.36Å; F107-F111 VanDerWaalsContact O-CB 3.3Å; F107-F111 WeakPolarHBondContact O-CB 3.14Å; F107-F111 PolarHBondContact O-N 3.38Å; F107-I112 HydrophobicContact CD1-CD1 4.38Å; F107-I112 HydrophobicContact CD1-CG1 3.71Å; F107-I112 HydrophobicContact CE1-CD1 3.7Å; F107-I112 HydrophobicContact CE1-CG1 3.53Å; F107-I112 HydrophobicContact CZ-CD1 3.97Å; F107-I112 HydrophobicContact CZ-CG1 4.21Å; F107-I112 PolarHBondContact O-N 2.73Å; F107-L165 HydrophobicContact CD1-CD1 4.01Å; F107-L165 HydrophobicContact CE1-CD1 4.11Å; F107-F168 HydrophobicContact CE1-CB 4.18Å; F107-F168 HydrophobicContact CZ-CB 4.07Å; F107-I169 HydrophobicContact CD1-CG1 4.33Å; F107-I169 HydrophobicContact CE1-CG1 3.95Å; F107-F172 HydrophobicContact CE2-CB 4.19Å; F107-F172 HydrophobicContact CZ-CB 4.17Å; F107-F172 HydrophobicContact CZ-CD2 4.43Å; F107-I173 HydrophobicContact CD1-CD1 4.45Å; F107-I173 HydrophobicContact CE1-CD1 4.47Å |
| 108 | N | 93.2 | Very high | 93.6 | Very high | 53 Ų | 53 | 40.4 Ų | 40.4 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -68.7 | -50.4 | 178.9 | -176.8 | 62.3 | 0 | 0 | 0 | 111.4 | N106 I112 E113 | N106-N108 VanDerWaalsContact C-N 3.29Å; N106-N108 PolarHBondContact O-N 2.85Å; N108-I112 PolarHBondContact O-N 3.22Å; N108-E113 VanDerWaalsContact O-CB 3.28Å; N108-E113 WeakPolarHBondContact O-CB 3.4Å; N108-E113 PolarHBondContact O-N 2.81Å |
| 109 | E | 93.5 | Very high | 93.6 | Very high | 130 Ų | 130 | 40 Ų | 40 | 61% | 0.607 | 20% | 0.195 | S | C | * | . | I | π-helix | trans | -74.6 | -37.8 | -168.7 | -62.3 | 179.4 | -178 | 0 | 0 | 114.4 | N106 P114 | N106-E109 PolarHBondContact O-N 2.98Å; E109-P114 WeakPolarHBondContact O-CD 3.47Å; E109-P114 VanDerWaalsContact O-CG 3.3Å; E109-P114 WeakPolarHBondContact O-CG 2.99Å |
| 110 | K | 93.5 | Very high | 93.6 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 32% | 0.317 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -98.6 | -17.5 | -175.6 | -69.7 | -173.1 | -176.3 | -170.7 | 0 | 113.8 | Y66 E102 N106 | Y66-K110 HydrophobicContact CD1-CB 3.83Å; Y66-K110 HydrophobicContact CD2-CB 4.43Å; Y66-K110 HydrophobicContact CD2-CD 3.93Å; Y66-K110 HydrophobicContact CE1-CB 3.53Å; Y66-K110 HydrophobicContact CE1-CD 4.27Å; Y66-K110 HydrophobicContact CE2-CB 4.22Å; Y66-K110 HydrophobicContact CE2-CD 3.43Å; Y66-K110 VanDerWaalsContact CE2-CD 3.43Å; Y66-K110 HydrophobicContact CE2-CG 4.45Å; Y66-K110 HydrophobicContact CG-CB 4.27Å; E102-K110 IonicContact OE1-NZ 2.93Å; E102-K110 PolarHBondContact OE1-NZ 3.33Å; N106-K110 HydrophobicContact CB-CB 4.19Å; N106-K110 HydrophobicContact CB-CD 3.75Å; N106-K110 HydrophobicContact CB-CG 3.83Å; N106-K110 PolarHBondContact O-N 3.08Å |
| 111 | F | 93.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -120 | -61.7 | -175.9 | -171.5 | -119.3 | 0 | 0 | 0 | 112 | T63 L67 L103 F107 L115 W139 F168 F172 | T63-F111 HydrophobicContact CG2-CD2 3.71Å; T63-F111 HydrophobicContact CG2-CE2 4.22Å; L67-F111 HydrophobicContact CD1-CE2 4.2Å; L103-F111 HydrophobicContact CD1-CB 4.23Å; F107-F111 HydrophobicContact CD2-CD1 4.31Å; F107-F111 AromaticContact CE2-CD1 3.79Å; F107-F111 HydrophobicContact CE2-CD1 3.79Å; F107-F111 HydrophobicContact CE2-CE1 4.25Å; F107-F111 HydrophobicContact CZ-CD1 4.04Å; F107-F111 HydrophobicContact CZ-CE1 4.36Å; F107-F111 VanDerWaalsContact O-CB 3.3Å; F107-F111 WeakPolarHBondContact O-CB 3.14Å; F107-F111 PolarHBondContact O-N 3.38Å; F111-L115 HydrophobicContact CD1-CD1 4.49Å; F111-L115 HydrophobicContact CD2-CD1 3.99Å; F111-L115 HydrophobicContact CE1-CD1 4.27Å; F111-L115 HydrophobicContact CE2-CD1 3.73Å; F111-L115 HydrophobicContact CG-CD1 4.36Å; F111-L115 HydrophobicContact CZ-CD1 3.88Å; F111-L115 WeakPolarHBondContact O-CB 3.24Å; F111-L115 WeakPolarHBondContact O-CD1 3.34Å; F111-L115 WeakPolarHBondContact O-CG 3.17Å; F111-L115 PolarHBondContact O-N 3.41Å; F111-W139 HydrophobicContact CE2-CH2 4.01Å; F111-W139 HydrophobicContact CE2-CZ2 4.16Å; F111-W139 AromaticContact CZ-CH2 3.93Å; F111-W139 HydrophobicContact CZ-CH2 3.93Å; F111-W139 HydrophobicContact CZ-CZ2 4.27Å; F111-F168 AromaticContact CE1-CD1 3.96Å; F111-F168 HydrophobicContact CE1-CD1 3.96Å; F111-F168 HydrophobicContact CE1-CE1 4.41Å; F111-F172 HydrophobicContact CE1-CD2 4.4Å; F111-F172 HydrophobicContact CE1-CE2 4.14Å; F111-F172 HydrophobicContact CZ-CE2 4.38Å; F111-F172 HydrophobicContact CZ-CZ 4.44Å |
| 112 | I | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -73.5 | -48 | -170.1 | -59.6 | -58.6 | 0 | 0 | 0 | 113.5 | F107 N108 L115 F116 F164 L165 F168 | F107-I112 HydrophobicContact CD1-CD1 4.38Å; F107-I112 HydrophobicContact CD1-CG1 3.71Å; F107-I112 HydrophobicContact CE1-CD1 3.7Å; F107-I112 HydrophobicContact CE1-CG1 3.53Å; F107-I112 HydrophobicContact CZ-CD1 3.97Å; F107-I112 HydrophobicContact CZ-CG1 4.21Å; F107-I112 PolarHBondContact O-N 2.73Å; N108-I112 PolarHBondContact O-N 3.22Å; I112-L115 PolarHBondContact O-N 3.27Å; I112-F116 WeakPolarHBondContact O-CB 3.35Å; I112-F116 PolarHBondContact O-N 3.43Å; I112-F164 HydrophobicContact CG2-CD1 3.66Å; I112-F164 HydrophobicContact CG2-CE1 3.88Å; I112-L165 HydrophobicContact CB-CD1 4.17Å; I112-L165 HydrophobicContact CG1-CD1 3.74Å; I112-L165 HydrophobicContact CG2-CB 4.1Å; I112-L165 HydrophobicContact CG2-CD1 3.99Å; I112-F168 HydrophobicContact CD1-CB 3.35Å; I112-F168 HydrophobicContact CD1-CD1 3.98Å; I112-F168 HydrophobicContact CD1-CD2 4.08Å; I112-F168 HydrophobicContact CD1-CG 3.54Å |
| 113 | E | 94.7 | Very high | 93.4 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.8 | -47.5 | -176.3 | 167 | 157.8 | -154 | 0 | 0 | 113.2 | N108 L115 F116 N117 K161 | N108-E113 VanDerWaalsContact O-CB 3.28Å; N108-E113 WeakPolarHBondContact O-CB 3.4Å; N108-E113 PolarHBondContact O-N 2.81Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.28Å; E113-F116 PolarHBondContact O-N 2.81Å; E113-N117 WeakPolarHBondContact O-CB 3.14Å; E113-N117 VanDerWaalsContact O-CG 3.23Å; E113-N117 PolarHBondContact O-N 2.82Å; E113-N117 PolarHBondContact O-ND2 3.29Å; E113-K161 IonicContact OE1-NZ 2.95Å; E113-K161 PolarHBondContact OE1-NZ 2.94Å; E113-K161 IonicContact OE2-NZ 2.91Å; E113-K161 PolarHBondContact OE2-NZ 2.85Å |
| 114 | P | 95.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.6 | -44 | 170.5 | -32.4 | 40.7 | 0 | 0 | 0 | 113.4 | E59 T63 E109 N117 S118 | E59-P114 HydrophobicContact CB-CB 4.3Å; E59-P114 VanDerWaalsContact OE2-CB 3.31Å; E59-P114 WeakPolarHBondContact OE2-CB 3.49Å; E59-P114 WeakPolarHBondContact OE2-CG 3.05Å; T63-P114 WeakPolarHBondContact OG1-CB 3.4Å; E109-P114 WeakPolarHBondContact O-CD 3.47Å; E109-P114 VanDerWaalsContact O-CG 3.3Å; E109-P114 WeakPolarHBondContact O-CG 2.99Å; P114-N117 PolarHBondContact O-N 3.33Å; P114-S118 VanDerWaalsContact O-CB 3.31Å; P114-S118 WeakPolarHBondContact O-CB 3.41Å; P114-S118 PolarHBondContact O-N 3.31Å; P114-S118 PolarHBondContact O-OG 2.81Å |
| 115 | L | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.5 | -76.8 | 173.6 | 0 | 0 | 0 | 112 | L60 T63 F111 I112 E113 S118 I119 L135 F164 | L60-L115 HydrophobicContact CD1-CD2 3.8Å; T63-L115 HydrophobicContact CG2-CD1 4.1Å; T63-L115 HydrophobicContact CG2-CD2 3.92Å; T63-L115 HydrophobicContact CG2-CG 3.64Å; F111-L115 HydrophobicContact CD1-CD1 4.49Å; F111-L115 HydrophobicContact CD2-CD1 3.99Å; F111-L115 HydrophobicContact CE1-CD1 4.27Å; F111-L115 HydrophobicContact CE2-CD1 3.73Å; F111-L115 HydrophobicContact CG-CD1 4.36Å; F111-L115 HydrophobicContact CZ-CD1 3.88Å; F111-L115 WeakPolarHBondContact O-CB 3.24Å; F111-L115 WeakPolarHBondContact O-CD1 3.34Å; F111-L115 WeakPolarHBondContact O-CG 3.17Å; F111-L115 PolarHBondContact O-N 3.41Å; I112-L115 PolarHBondContact O-N 3.27Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.28Å; L115-S118 PolarHBondContact O-N 3.06Å; L115-S118 PolarHBondContact O-OG 2.54Å; L115-I119 PolarHBondContact O-N 3.3Å; L115-L135 HydrophobicContact CD2-CD1 4.25Å; L115-F164 HydrophobicContact CB-CE1 4.38Å; L115-F164 HydrophobicContact CB-CZ 4.37Å |
| 116 | F | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -51.2 | 178.1 | -174.7 | -83.8 | 0 | 0 | 0 | 111.1 | I112 E113 S118 I119 D120 Q125 I127 K161 F164 | I112-F116 WeakPolarHBondContact O-CB 3.35Å; I112-F116 PolarHBondContact O-N 3.43Å; E113-F116 PolarHBondContact O-N 2.81Å; F116-S118 VanDerWaalsContact C-N 3.25Å; F116-S118 PolarHBondContact O-N 3.47Å; F116-I119 PolarHBondContact O-N 2.63Å; F116-D120 HydrophobicContact CE1-CB 4.24Å; F116-D120 WeakPolarHBondContact O-CB 3.33Å; F116-D120 PolarHBondContact O-N 3.04Å; F116-Q125 WeakPolarHBondContact CZ-O 3.44Å; F116-I127 HydrophobicContact CD2-CD1 3.31Å; F116-I127 HydrophobicContact CD2-CG1 4.01Å; F116-I127 HydrophobicContact CE2-CD1 3.37Å; F116-I127 HydrophobicContact CE2-CG1 3.57Å; F116-I127 HydrophobicContact CG-CD1 4.11Å; F116-I127 HydrophobicContact CZ-CD1 4.2Å; F116-I127 HydrophobicContact CZ-CG1 3.96Å; F116-K161 HydrophobicContact CD1-CG 4.49Å; F116-K161 HydrophobicContact CD2-CB 4.19Å; F116-K161 HydrophobicContact CD2-CG 4.31Å; F116-K161 HydrophobicContact CE1-CB 4.3Å; F116-K161 VanDerWaalsContact CE2-CA 3.48Å; F116-K161 HydrophobicContact CE2-CB 3.93Å; F116-K161 HydrophobicContact CG-CG 4.3Å; F116-K161 HydrophobicContact CZ-CB 4.01Å; F116-F164 HydrophobicContact CB-CD1 4.13Å; F116-F164 HydrophobicContact CB-CE1 4.08Å; F116-F164 HydrophobicContact CD2-CB 3.92Å; F116-F164 AromaticContact CD2-CD1 3.78Å; F116-F164 HydrophobicContact CD2-CD1 3.78Å; F116-F164 HydrophobicContact CD2-CD2 4.46Å; F116-F164 HydrophobicContact CD2-CE1 4.4Å; F116-F164 AromaticContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CE2-CB 4.2Å; F116-F164 HydrophobicContact CE2-CG 4.49Å; F116-F164 HydrophobicContact CG-CD1 4.46Å |
| 117 | N | 95.1 | Very high | 94 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 19% | 0.187 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.2 | -31.1 | 180 | -67.8 | -17.1 | 0 | 0 | 0 | 112.4 | K56 E113 P114 I119 | K56-N117 WeakPolarHBondContact CD-O 3.47Å; K56-N117 WeakPolarHBondContact CG-O 3.44Å; E113-N117 WeakPolarHBondContact O-CB 3.14Å; E113-N117 VanDerWaalsContact O-CG 3.23Å; E113-N117 PolarHBondContact O-N 2.82Å; E113-N117 PolarHBondContact O-ND2 3.29Å; P114-N117 PolarHBondContact O-N 3.33Å; N117-I119 VanDerWaalsContact C-N 3.32Å |
| 118 | S | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70 | -29.4 | 178 | 75 | 0 | 0 | 0 | 0 | 113.2 | M52 K56 P114 L115 F116 Q121 | M52-S118 VanDerWaalsContact CE-O 3.31Å; M52-S118 WeakPolarHBondContact CE-O 3.43Å; K56-S118 WeakPolarHBondContact O-CB 3.41Å; P114-S118 VanDerWaalsContact O-CB 3.31Å; P114-S118 WeakPolarHBondContact O-CB 3.41Å; P114-S118 PolarHBondContact O-N 3.31Å; P114-S118 PolarHBondContact O-OG 2.81Å; L115-S118 PolarHBondContact O-N 3.06Å; L115-S118 PolarHBondContact O-OG 2.54Å; F116-S118 VanDerWaalsContact C-N 3.25Å; F116-S118 PolarHBondContact O-N 3.47Å; S118-Q121 PolarHBondContact O-NE2 3.31Å |
| 119 | I | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -102.5 | -32.9 | -172.1 | -155.8 | 72 | 0 | 0 | 0 | 114.1 | L45 Y49 L115 F116 N117 Q121 I127 E131 L135 | L45-I119 HydrophobicContact CD1-CD1 4.48Å; L45-I119 HydrophobicContact CD2-CD1 3.6Å; Y49-I119 HydrophobicContact CE2-CD1 3.79Å; L115-I119 PolarHBondContact O-N 3.3Å; F116-I119 PolarHBondContact O-N 2.63Å; N117-I119 VanDerWaalsContact C-N 3.32Å; I119-Q121 WeakPolarHBondContact O-CG 3.31Å; I119-Q121 PolarHBondContact O-N 3.08Å; I119-Q121 PolarHBondContact O-NE2 3.41Å; I119-I127 HydrophobicContact CG2-CD1 3.41Å; I119-I127 VanDerWaalsContact CG2-CD1 3.41Å; I119-I127 HydrophobicContact CG2-CG1 3.89Å; I119-E131 HydrophobicContact CG1-CB 4Å; I119-E131 VanDerWaalsContact CG1-O 3.25Å; I119-E131 WeakPolarHBondContact CG1-O 3.4Å; I119-L135 HydrophobicContact CD1-CB 3.88Å; I119-L135 HydrophobicContact CG1-CB 3.91Å; I119-L135 HydrophobicContact CG2-CD2 4.43Å |
| 120 | D | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -57.5 | 101.8 | 167.3 | 167.7 | 0.2 | 0 | 0 | 0 | 106.9 | K56 F116 D122 N123 D124 Q125 | K56-D120 VanDerWaalsContact CE-O 3.24Å; K56-D120 WeakPolarHBondContact CE-O 3.48Å; K56-D120 PolarHBondContact NZ-O 2.9Å; F116-D120 HydrophobicContact CE1-CB 4.24Å; F116-D120 WeakPolarHBondContact O-CB 3.33Å; F116-D120 PolarHBondContact O-N 3.04Å; D120-D122 PolarHBondContact OD1-N 3.23Å; D120-N123 WeakPolarHBondContact OD1-CA 3.41Å; D120-N123 PolarHBondContact OD1-N 3.36Å; D120-N123 WeakPolarHBondContact OD2-CA 3.48Å; D120-D124 PolarHBondContact OD1-N 3.34Å; D120-Q125 VanDerWaalsContact OD2-CA 3.29Å; D120-Q125 WeakPolarHBondContact OD2-CA 3.46Å; D120-Q125 PolarHBondContact OD2-N 3.45Å | ||
| 121 | Q | 90.7 | Very high | 94.3 | Very high | 46 Ų | 46 | 33 Ų | 33 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -84.2 | -30.6 | -172.8 | -68.3 | -49.2 | -66.7 | 0 | 0 | 112.6 | Y49 K56 S118 I119 E131 | Y49-Q121 HydrophobicContact CD1-CG 3.78Å; Y49-Q121 HydrophobicContact CE1-CG 3.61Å; Y49-Q121 HydrophobicContact CG-CG 4.37Å; K56-Q121 PolarHBondContact NZ-O 2.91Å; S118-Q121 PolarHBondContact O-NE2 3.31Å; I119-Q121 WeakPolarHBondContact O-CG 3.31Å; I119-Q121 PolarHBondContact O-N 3.08Å; I119-Q121 PolarHBondContact O-NE2 3.41Å; Q121-E131 WeakPolarHBondContact CB-OE1 3.39Å; Q121-E131 PolarHBondContact N-OE1 2.97Å |
| 122 | D | 90.9 | Very high | 94.4 | Very high | 93 Ų | 93 | 32.9 Ų | 32.9 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -94 | -4.6 | -175.7 | 66 | 5.9 | 0 | 0 | 0 | 114 | D120 D124 | D120-D122 PolarHBondContact OD1-N 3.23Å; D122-D124 VanDerWaalsContact C-N 3.27Å; D122-D124 WeakPolarHBondContact OD1-CB 3.34Å; D122-D124 PolarHBondContact OD1-N 2.86Å; D122-D124 VanDerWaalsContact OD1-N 3.1Å |
| 123 | N | 90.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 35.1 Ų | 35.1 | 40% | 0.401 | 19% | 0.187 | S | C | . | . | trans | 63.2 | 28.1 | -177.6 | -50.9 | -53.5 | 0 | 0 | 0 | 113.4 | Y55 K56 D120 Q125 | Y55-N123 PolarHBondContact OH-OD1 2.89Å; K56-N123 WeakPolarHBondContact CE-OD1 3.35Å; K56-N123 PolarHBondContact NZ-OD1 2.91Å; D120-N123 WeakPolarHBondContact OD1-CA 3.41Å; D120-N123 PolarHBondContact OD1-N 3.36Å; D120-N123 WeakPolarHBondContact OD2-CA 3.48Å; N123-Q125 PolarHBondContact O-N 2.86Å | ||
| 124 | D | 93.1 | Very high | 94.5 | Very high | 52 Ų | 52 | 33 Ų | 33 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -81.8 | 1 | 177.7 | 84.2 | -11.3 | 0 | 0 | 0 | 113.1 | D120 D122 L126 K158 | D120-D124 PolarHBondContact OD1-N 3.34Å; D122-D124 VanDerWaalsContact C-N 3.27Å; D122-D124 WeakPolarHBondContact OD1-CB 3.34Å; D122-D124 PolarHBondContact OD1-N 2.86Å; D122-D124 VanDerWaalsContact OD1-N 3.1Å; D124-L126 PolarHBondContact O-N 3.18Å; D124-L126 VanDerWaalsContact OD1-CA 3.27Å; D124-L126 WeakPolarHBondContact OD1-CA 3.44Å; D124-L126 WeakPolarHBondContact OD1-CB 3.26Å; D124-L126 PolarHBondContact OD1-N 3.45Å; D124-K158 IonicContact OD2-NZ 2.64Å; D124-K158 PolarHBondContact OD2-NZ 3.19Å |
| 125 | Q | 94.2 | Very high | 94.5 | Very high | 97 Ų | 97 | 32.8 Ų | 32.8 | 45% | 0.453 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 62.9 | 24.4 | -176.2 | -62.2 | -68.3 | -62.9 | 0 | 0 | 113.4 | F116 D120 N123 | F116-Q125 WeakPolarHBondContact CZ-O 3.44Å; D120-Q125 VanDerWaalsContact OD2-CA 3.29Å; D120-Q125 WeakPolarHBondContact OD2-CA 3.46Å; D120-Q125 PolarHBondContact OD2-N 3.45Å; N123-Q125 PolarHBondContact O-N 2.86Å |
| 126 | L | 96.2 | Very high | 94.5 | Very high | 53 Ų | 53 | 32.8 Ų | 32.8 | 28% | 0.277 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.3 | 174.9 | -55.6 | 168.6 | 0 | 0 | 0 | 109 | D124 K158 L159 | D124-L126 PolarHBondContact O-N 3.18Å; D124-L126 VanDerWaalsContact OD1-CA 3.27Å; D124-L126 WeakPolarHBondContact OD1-CA 3.44Å; D124-L126 WeakPolarHBondContact OD1-CB 3.26Å; D124-L126 PolarHBondContact OD1-N 3.45Å; L126-K158 HydrophobicContact CB-CB 4.13Å; L126-K158 HydrophobicContact CB-CD 4Å; L126-K158 HydrophobicContact CD1-CB 4.21Å; L126-K158 HydrophobicContact CD1-CD 3.4Å; L126-K158 HydrophobicContact CD1-CG 4.44Å; L126-K158 HydrophobicContact CG-CD 4.29Å; L126-L159 WeakPolarHBondContact CA-O 3.36Å |
| 127 | I | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.7 | 176.4 | -66.8 | 172.4 | 0 | 0 | 0 | 108.6 | F116 I119 E131 F132 F150 L159 F164 | F116-I127 HydrophobicContact CD2-CD1 3.31Å; F116-I127 HydrophobicContact CD2-CG1 4.01Å; F116-I127 HydrophobicContact CE2-CD1 3.37Å; F116-I127 HydrophobicContact CE2-CG1 3.57Å; F116-I127 HydrophobicContact CG-CD1 4.11Å; F116-I127 HydrophobicContact CZ-CD1 4.2Å; F116-I127 HydrophobicContact CZ-CG1 3.96Å; I119-I127 HydrophobicContact CG2-CD1 3.41Å; I119-I127 VanDerWaalsContact CG2-CD1 3.41Å; I119-I127 HydrophobicContact CG2-CG1 3.89Å; I127-E131 WeakPolarHBondContact CA-OE2 3.42Å; I127-E131 HydrophobicContact CG2-CB 3.75Å; I127-F132 HydrophobicContact CG2-CB 3.76Å; I127-F150 WeakPolarHBondContact O-CE2 3.3Å; I127-L159 HydrophobicContact CB-CB 4.17Å; I127-L159 PolarHBondContact N-O 3.11Å; I127-L159 PolarHBondContact O-N 3.03Å; I127-F164 HydrophobicContact CD1-CD2 3.68Å; I127-F164 HydrophobicContact CD1-CE2 3.85Å; I127-F164 HydrophobicContact CD1-CG 4.17Å; I127-F164 HydrophobicContact CD1-CZ 4.5Å |
| 128 | I | 95.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 166 | 172.3 | 60.7 | 165.6 | 0 | 0 | 0 | 111.5 | S130 E131 F132 K158 | I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 WeakPolarHBondContact CD1-OG 3.28Å; I128-S130 PolarHBondContact O-N 2.87Å; I128-E131 HydrophobicContact CD1-CG 4.5Å; I128-E131 HydrophobicContact CG1-CB 4.24Å; I128-E131 HydrophobicContact CG1-CG 3.76Å; I128-E131 WeakPolarHBondContact CG1-OE2 3.31Å; I128-E131 PolarHBondContact N-OE2 3.25Å; I128-E131 PolarHBondContact O-N 2.97Å; I128-E131 VanDerWaalsContact O-N 3.14Å; I128-F132 PolarHBondContact O-N 3.49Å; I128-K158 HydrophobicContact CG2-CG 4.35Å |
| 129 | S | 95.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 28% | 0.28 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.8 | -37.7 | -174.8 | -174.9 | 0 | 0 | 0 | 0 | 113.5 | Q133 | S129-Q133 WeakPolarHBondContact O-CB 3.29Å; S129-Q133 VanDerWaalsContact O-CG 3.23Å; S129-Q133 WeakPolarHBondContact O-CG 3.45Å; S129-Q133 PolarHBondContact O-N 3.45Å; S129-Q133 PolarHBondContact OG-NE2 3.4Å |
| 130 | S | 94.4 | Very high | 94.5 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 43% | 0.434 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 179.7 | 49.8 | 0 | 0 | 0 | 0 | 112 | I128 Q133 S134 | I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 WeakPolarHBondContact CD1-OG 3.28Å; I128-S130 PolarHBondContact O-N 2.87Å; S130-Q133 PolarHBondContact O-N 3.2Å; S130-S134 WeakPolarHBondContact O-CB 2.92Å; S130-S134 PolarHBondContact O-N 3.23Å; S130-S134 PolarHBondContact O-OG 3.18Å |
| 131 | E | 95.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 177.7 | -70.7 | 172.5 | 153.5 | 0 | 0 | 111.3 | Y49 I119 Q121 I127 I128 Q133 S134 L135 | Y49-E131 WeakPolarHBondContact OH-CA 3.4Å; I119-E131 HydrophobicContact CG1-CB 4Å; I119-E131 VanDerWaalsContact CG1-O 3.25Å; I119-E131 WeakPolarHBondContact CG1-O 3.4Å; Q121-E131 WeakPolarHBondContact CB-OE1 3.39Å; Q121-E131 PolarHBondContact N-OE1 2.97Å; I127-E131 WeakPolarHBondContact CA-OE2 3.42Å; I127-E131 HydrophobicContact CG2-CB 3.75Å; I128-E131 HydrophobicContact CD1-CG 4.5Å; I128-E131 HydrophobicContact CG1-CB 4.24Å; I128-E131 HydrophobicContact CG1-CG 3.76Å; I128-E131 WeakPolarHBondContact CG1-OE2 3.31Å; I128-E131 PolarHBondContact N-OE2 3.25Å; I128-E131 PolarHBondContact O-N 2.97Å; I128-E131 VanDerWaalsContact O-N 3.14Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 3.28Å; E131-S134 PolarHBondContact O-N 3.31Å; E131-L135 PolarHBondContact O-N 2.95Å |
| 132 | F | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.7 | -176.1 | -104.3 | 0 | 0 | 0 | 111.8 | I127 I128 L135 M136 C146 I149 F150 L159 F164 I167 L184 | I127-F132 HydrophobicContact CG2-CB 3.76Å; I128-F132 PolarHBondContact O-N 3.49Å; F132-L135 PolarHBondContact O-N 3.2Å; F132-M136 HydrophobicContact CD1-CG 4.18Å; F132-M136 HydrophobicContact CD2-CG 4.26Å; F132-M136 HydrophobicContact CE1-CG 3.78Å; F132-M136 HydrophobicContact CE2-CG 3.86Å; F132-M136 HydrophobicContact CE2-SD 4.23Å; F132-M136 HydrophobicContact CG-CG 4.41Å; F132-M136 HydrophobicContact CZ-CG 3.61Å; F132-M136 HydrophobicContact CZ-SD 4.21Å; F132-M136 WeakPolarHBondContact O-CB 3.29Å; F132-M136 VanDerWaalsContact O-CG 3.3Å; F132-M136 WeakPolarHBondContact O-CG 3.45Å; F132-M136 PolarHBondContact O-N 3.33Å; F132-C146 HydrophobicContact CE1-CB 4.35Å; F132-C146 WeakPolarHBondContact CE1-O 3.23Å; F132-I149 HydrophobicContact CE1-CG2 4.46Å; F132-I149 HydrophobicContact CZ-CG2 4.25Å; F132-F150 HydrophobicContact CB-CD2 3.61Å; F132-F150 HydrophobicContact CB-CE2 4.02Å; F132-F150 HydrophobicContact CD1-CB 3.82Å; F132-F150 AromaticContact CD1-CD2 3.84Å; F132-F150 HydrophobicContact CD1-CD2 3.84Å; F132-F150 HydrophobicContact CD1-CG 4.29Å; F132-F150 HydrophobicContact CE1-CB 4.18Å; F132-F150 AromaticContact CG-CD2 3.77Å; F132-F150 HydrophobicContact CG-CD2 3.77Å; F132-L159 HydrophobicContact CD2-CD2 3.93Å; F132-L159 HydrophobicContact CE2-CD2 4.22Å; F132-F164 HydrophobicContact CD2-CD2 4.4Å; F132-F164 HydrophobicContact CD2-CE2 4.31Å; F132-F164 HydrophobicContact CE2-CD2 4.44Å; F132-F164 HydrophobicContact CE2-CE2 4.38Å; F132-I167 HydrophobicContact CE2-CD1 4.18Å; F132-I167 HydrophobicContact CZ-CD1 4.26Å; F132-L184 HydrophobicContact CZ-CD1 4.31Å |
| 133 | Q | 95.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 177 | -77.6 | 179.2 | 11.4 | 0 | 0 | 112 | S129 S130 E131 L135 M136 I137 C146 | S129-Q133 WeakPolarHBondContact O-CB 3.29Å; S129-Q133 VanDerWaalsContact O-CG 3.23Å; S129-Q133 WeakPolarHBondContact O-CG 3.45Å; S129-Q133 PolarHBondContact O-N 3.45Å; S129-Q133 PolarHBondContact OG-NE2 3.4Å; S130-Q133 PolarHBondContact O-N 3.2Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-Q133 PolarHBondContact O-N 3.28Å; Q133-L135 PolarHBondContact O-N 2.92Å; Q133-M136 PolarHBondContact O-N 2.98Å; Q133-I137 HydrophobicContact CB-CD1 4.19Å; Q133-I137 WeakPolarHBondContact O-CB 3.37Å; Q133-I137 WeakPolarHBondContact O-CD1 3.27Å; Q133-I137 WeakPolarHBondContact O-CG1 3.45Å; Q133-I137 PolarHBondContact O-N 3.15Å; Q133-C146 HydrophobicContact CG-CB 4.13Å |
| 134 | S | 95.6 | Very high | 94.8 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 177.1 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | Y49 S130 E131 S138 | Y49-S134 PolarHBondContact OH-OG 3.45Å; S130-S134 WeakPolarHBondContact O-CB 2.92Å; S130-S134 PolarHBondContact O-N 3.23Å; S130-S134 PolarHBondContact O-OG 3.18Å; E131-S134 PolarHBondContact O-N 3.31Å; S134-S138 WeakPolarHBondContact O-CB 3.47Å; S134-S138 PolarHBondContact O-N 3.3Å; S134-S138 PolarHBondContact O-OG 2.97Å |
| 135 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.8 | -54.9 | 174.9 | 176.2 | 64 | 0 | 0 | 0 | 111.8 | L45 L115 I119 E131 F132 Q133 I137 S138 W139 F164 | L45-L135 HydrophobicContact CD1-CD1 3.92Å; L115-L135 HydrophobicContact CD2-CD1 4.25Å; I119-L135 HydrophobicContact CD1-CB 3.88Å; I119-L135 HydrophobicContact CG1-CB 3.91Å; I119-L135 HydrophobicContact CG2-CD2 4.43Å; E131-L135 PolarHBondContact O-N 2.95Å; F132-L135 PolarHBondContact O-N 3.2Å; Q133-L135 PolarHBondContact O-N 2.92Å; L135-I137 PolarHBondContact O-N 2.86Å; L135-S138 PolarHBondContact O-N 3.09Å; L135-W139 PolarHBondContact O-N 3.38Å; L135-F164 HydrophobicContact CD2-CE2 3.79Å; L135-F164 HydrophobicContact CD2-CZ 3.7Å |
| 136 | M | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -36 | -172.5 | -67.3 | -52.5 | -49.5 | 0 | 0 | 112.4 | F132 Q133 W139 K140 S141 C146 F168 L184 W185 | F132-M136 HydrophobicContact CD1-CG 4.18Å; F132-M136 HydrophobicContact CD2-CG 4.26Å; F132-M136 HydrophobicContact CE1-CG 3.78Å; F132-M136 HydrophobicContact CE2-CG 3.86Å; F132-M136 HydrophobicContact CE2-SD 4.23Å; F132-M136 HydrophobicContact CG-CG 4.41Å; F132-M136 HydrophobicContact CZ-CG 3.61Å; F132-M136 HydrophobicContact CZ-SD 4.21Å; F132-M136 WeakPolarHBondContact O-CB 3.29Å; F132-M136 VanDerWaalsContact O-CG 3.3Å; F132-M136 WeakPolarHBondContact O-CG 3.45Å; F132-M136 PolarHBondContact O-N 3.33Å; Q133-M136 PolarHBondContact O-N 2.98Å; M136-W139 CarbonylContact O-C 3.31Å; M136-W139 VanDerWaalsContact O-C 3.28Å; M136-W139 WeakPolarHBondContact O-CA 3.47Å; M136-W139 WeakPolarHBondContact O-CB 3.28Å; M136-W139 PolarHBondContact O-N 3.19Å; M136-K140 PolarHBondContact O-N 3.26Å; M136-S141 WeakPolarHBondContact O-CA 3.5Å; M136-S141 WeakPolarHBondContact O-CB 3.47Å; M136-S141 PolarHBondContact O-N 3.49Å; M136-C146 HydrophobicContact CB-CB 4.32Å; M136-C146 WeakPolarHBondContact CB-SG 3.4Å; M136-F168 HydrophobicContact SD-CZ 4.04Å; M136-L184 HydrophobicContact CE-CD1 3.52Å; M136-L184 HydrophobicContact CE-CD2 4.14Å; M136-L184 HydrophobicContact CE-CG 3.66Å; M136-L184 HydrophobicContact SD-CD1 4.23Å; M136-W185 HydrophobicContact CE-CH2 3.86Å; M136-W185 HydrophobicContact CE-CZ2 3.71Å; M136-W185 HydrophobicContact CE-CZ3 4.3Å |
| 137 | I | 95.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 35.1 Ų | 35.1 | 34% | 0.338 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.5 | -38.7 | 176 | -68.1 | 167.4 | 0 | 0 | 0 | 110.7 | Q133 L135 W139 K140 P143 | Q133-I137 HydrophobicContact CB-CD1 4.19Å; Q133-I137 WeakPolarHBondContact O-CB 3.37Å; Q133-I137 WeakPolarHBondContact O-CD1 3.27Å; Q133-I137 WeakPolarHBondContact O-CG1 3.45Å; Q133-I137 PolarHBondContact O-N 3.15Å; L135-I137 PolarHBondContact O-N 2.86Å; I137-W139 PolarHBondContact O-N 3Å; I137-K140 VanDerWaalsContact O-CA 3.31Å; I137-K140 WeakPolarHBondContact O-CA 3.39Å; I137-K140 PolarHBondContact O-N 3.3Å; I137-P143 HydrophobicContact CD1-CB 4.02Å; I137-P143 HydrophobicContact CD1-CG 3.88Å; I137-P143 HydrophobicContact CG1-CB 4.44Å; I137-P143 HydrophobicContact CG1-CG 4.04Å |
| 138 | S | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 171.7 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | S44 L45 S134 L135 K140 | S44-S138 WeakPolarHBondContact CB-OG 3.41Å; S44-S138 PolarHBondContact OG-OG 3.43Å; L45-S138 WeakPolarHBondContact CG-OG 3.28Å; S134-S138 WeakPolarHBondContact O-CB 3.47Å; S134-S138 PolarHBondContact O-N 3.3Å; S134-S138 PolarHBondContact O-OG 2.97Å; L135-S138 PolarHBondContact O-N 3.09Å; S138-K140 PolarHBondContact O-N 3.13Å; S138-K140 VanDerWaalsContact O-N 3.13Å |
| 139 | W | 94.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 15.4 | 167.3 | -85.7 | 79.3 | 0 | 0 | 0 | 114.6 | L21 L25 I41 L67 F111 L135 M136 I137 S141 W185 | L21-W139 HydrophobicContact CD1-CE3 4.43Å; L21-W139 HydrophobicContact CD1-CZ3 4.49Å; L25-W139 HydrophobicContact CD2-CE3 4.41Å; I41-W139 HydrophobicContact CD1-CD2 3.94Å; I41-W139 HydrophobicContact CD1-CE3 4.19Å; I41-W139 HydrophobicContact CD1-CG 4.29Å; I41-W139 VanDerWaalsContact CG2-CD1 3.42Å; I41-W139 HydrophobicContact CG2-CD2 4.49Å; I41-W139 HydrophobicContact CG2-CG 4.06Å; L67-W139 HydrophobicContact CD2-CH2 3.47Å; L67-W139 VanDerWaalsContact CD2-CH2 3.47Å; L67-W139 HydrophobicContact CD2-CZ2 4.13Å; L67-W139 HydrophobicContact CD2-CZ3 4.24Å; F111-W139 HydrophobicContact CE2-CH2 4.01Å; F111-W139 HydrophobicContact CE2-CZ2 4.16Å; F111-W139 AromaticContact CZ-CH2 3.93Å; F111-W139 HydrophobicContact CZ-CH2 3.93Å; F111-W139 HydrophobicContact CZ-CZ2 4.27Å; L135-W139 PolarHBondContact O-N 3.38Å; M136-W139 CarbonylContact O-C 3.31Å; M136-W139 VanDerWaalsContact O-C 3.28Å; M136-W139 WeakPolarHBondContact O-CA 3.47Å; M136-W139 WeakPolarHBondContact O-CB 3.28Å; M136-W139 PolarHBondContact O-N 3.19Å; I137-W139 PolarHBondContact O-N 3Å; W139-S141 PolarHBondContact O-N 3.01Å; W139-W185 HydrophobicContact CB-CZ2 4.21Å; W139-W185 HydrophobicContact CD2-CZ2 4.29Å; W139-W185 HydrophobicContact CE3-CH2 4.5Å; W139-W185 AromaticContact CE3-CZ2 3.67Å; W139-W185 HydrophobicContact CE3-CZ2 3.67Å; W139-W185 HydrophobicContact CZ3-CZ2 4.35Å; W139-W185 PolarHBondContact O-NE1 3.07Å |
| 140 | K | 94.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 27.5 | 177.2 | -43.9 | -58 | -177.5 | 173.8 | 0 | 113.3 | R24 T27 E40 M136 I137 S138 | R24-K140 HydrophobicContact CB-CB 4.36Å; R24-K140 PolarHBondContact NE-O 2.85Å; R24-K140 PolarHBondContact NH2-O 3.09Å; R24-K140 VanDerWaalsContact O-CB 3.23Å; R24-K140 WeakPolarHBondContact O-CB 3.17Å; R24-K140 WeakPolarHBondContact O-CG 3.36Å; T27-K140 HydrophobicContact CG2-CD 3.81Å; T27-K140 HydrophobicContact CG2-CG 3.89Å; E40-K140 IonicContact OE1-NZ 3.09Å; E40-K140 PolarHBondContact OE1-NZ 2.7Å; E40-K140 WeakPolarHBondContact OE2-CE 3.29Å; E40-K140 IonicContact OE2-NZ 2.63Å; E40-K140 PolarHBondContact OE2-NZ 2.86Å; E40-K140 VanDerWaalsContact OE2-NZ 3.09Å; M136-K140 PolarHBondContact O-N 3.26Å; I137-K140 VanDerWaalsContact O-CA 3.31Å; I137-K140 WeakPolarHBondContact O-CA 3.39Å; I137-K140 PolarHBondContact O-N 3.3Å; S138-K140 PolarHBondContact O-N 3.13Å; S138-K140 VanDerWaalsContact O-N 3.13Å |
| 141 | S | 94.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | trans | -70.8 | 173.5 | 168.3 | -174 | 0 | 0 | 0 | 0 | 111.6 | M136 W139 C146 L184 | M136-S141 WeakPolarHBondContact O-CA 3.5Å; M136-S141 WeakPolarHBondContact O-CB 3.47Å; M136-S141 PolarHBondContact O-N 3.49Å; W139-S141 PolarHBondContact O-N 3.01Å; S141-C146 VanDerWaalsContact CB-SG 3.53Å; S141-C146 PolarHBondContact OG-SG 2.74Å; S141-L184 WeakPolarHBondContact CB-O 3.3Å; S141-L184 PolarHBondContact OG-O 2.69Å | ||
| 142 | I | 92.2 | Very high | 94.1 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 28% | 0.282 | 20% | 0.202 | S | C | . | . | trans | -96 | 121.7 | 179.5 | -59.3 | -178.1 | 0 | 0 | 0 | 108.2 | K144 D145 C146 | I142-K144 VanDerWaalsContact C-N 3.26Å; I142-K144 HydrophobicContact CG2-CB 4.41Å; I142-K144 PolarHBondContact O-N 2.91Å; I142-K144 VanDerWaalsContact O-N 3.1Å; I142-D145 HydrophobicContact CB-CB 4.25Å; I142-D145 WeakPolarHBondContact CB-OD2 3.23Å; I142-D145 PolarHBondContact O-N 2.68Å; I142-C146 PolarHBondContact O-N 3.39Å; I142-C146 PolarHBondContact O-SG 3.48Å | ||
| 143 | P | 92.3 | Very high | 94 | Very high | 70 Ų | 70 | 46 Ų | 46 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -50.8 | -42.5 | -174.5 | -28.5 | 32.2 | 0 | 0 | 0 | 114.4 | I137 D145 C146 E147 | I137-P143 HydrophobicContact CD1-CB 4.02Å; I137-P143 HydrophobicContact CD1-CG 3.88Å; I137-P143 HydrophobicContact CG1-CB 4.44Å; I137-P143 HydrophobicContact CG1-CG 4.04Å; P143-D145 VanDerWaalsContact C-N 3.33Å; P143-D145 PolarHBondContact O-N 3.09Å; P143-C146 WeakPolarHBondContact O-CB 3.49Å; P143-C146 PolarHBondContact O-N 3.08Å; P143-E147 PolarHBondContact O-N 3.14Å; P143-E147 VanDerWaalsContact O-N 3.1Å |
| 144 | K | 92.8 | Very high | 93.9 | Very high | 165 Ų | 165 | 44.9 Ų | 44.9 | 72% | 0.717 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.9 | -39.7 | 178.8 | -175.8 | -179.2 | 176.8 | -177.3 | 0 | 112.6 | I142 L148 | I142-K144 VanDerWaalsContact C-N 3.26Å; I142-K144 HydrophobicContact CG2-CB 4.41Å; I142-K144 PolarHBondContact O-N 2.91Å; I142-K144 VanDerWaalsContact O-N 3.1Å; K144-L148 PolarHBondContact O-N 3.32Å |
| 145 | D | 92.1 | Very high | 93.7 | Very high | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.6 | -35.8 | -178.1 | -61.4 | -23.7 | 0 | 0 | 0 | 110.5 | I142 P143 E147 L148 I149 Q183 G186 | I142-D145 HydrophobicContact CB-CB 4.25Å; I142-D145 WeakPolarHBondContact CB-OD2 3.23Å; I142-D145 PolarHBondContact O-N 2.68Å; P143-D145 VanDerWaalsContact C-N 3.33Å; P143-D145 PolarHBondContact O-N 3.09Å; D145-E147 PolarHBondContact O-N 3.2Å; D145-L148 PolarHBondContact O-N 3.01Å; D145-I149 WeakPolarHBondContact O-CB 3.37Å; D145-I149 VanDerWaalsContact O-CG1 3.32Å; D145-I149 WeakPolarHBondContact O-CG1 3.49Å; D145-I149 PolarHBondContact O-N 2.8Å; D145-Q183 HydrophobicContact CB-CG 4.36Å; D145-Q183 WeakPolarHBondContact CB-O 3.4Å; D145-G186 WeakPolarHBondContact OD2-CA 3.37Å |
| 146 | C | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57 | -48 | 171.5 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | F132 Q133 M136 S141 I142 P143 L148 I149 F150 | F132-C146 HydrophobicContact CE1-CB 4.35Å; F132-C146 WeakPolarHBondContact CE1-O 3.23Å; Q133-C146 HydrophobicContact CG-CB 4.13Å; M136-C146 HydrophobicContact CB-CB 4.32Å; M136-C146 WeakPolarHBondContact CB-SG 3.4Å; S141-C146 VanDerWaalsContact CB-SG 3.53Å; S141-C146 PolarHBondContact OG-SG 2.74Å; I142-C146 PolarHBondContact O-N 3.39Å; I142-C146 PolarHBondContact O-SG 3.48Å; P143-C146 WeakPolarHBondContact O-CB 3.49Å; P143-C146 PolarHBondContact O-N 3.08Å; C146-L148 VanDerWaalsContact C-N 3.34Å; C146-L148 PolarHBondContact O-N 2.76Å; C146-I149 PolarHBondContact O-N 2.89Å; C146-F150 WeakPolarHBondContact O-CB 3.07Å; C146-F150 PolarHBondContact O-N 3.37Å |
| 147 | E | 93 | Very high | 93.2 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 35% | 0.346 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 179.6 | -172.7 | -179.6 | -174.2 | 0 | 0 | 111.7 | P143 D145 F150 R151 | P143-E147 PolarHBondContact O-N 3.14Å; P143-E147 VanDerWaalsContact O-N 3.1Å; D145-E147 PolarHBondContact O-N 3.2Å; E147-F150 PolarHBondContact O-N 3.16Å; E147-R151 VanDerWaalsContact O-CG 3.32Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 2.83Å; E147-R151 VanDerWaalsContact O-N 3.08Å; E147-R151 IonicContact OE1-CZ 3.42Å; E147-R151 IonicContact OE1-NE 3.64Å; E147-R151 IonicContact OE1-NH2 2.64Å; E147-R151 PolarHBondContact OE1-NH2 3.19Å |
| 148 | L | 92.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 178.8 | -176 | 62.5 | 0 | 0 | 0 | 111.7 | K144 D145 C146 R151 Y152 Q183 | K144-L148 PolarHBondContact O-N 3.32Å; D145-L148 PolarHBondContact O-N 3.01Å; C146-L148 VanDerWaalsContact C-N 3.34Å; C146-L148 PolarHBondContact O-N 2.76Å; L148-R151 PolarHBondContact O-N 3.49Å; L148-Y152 HydrophobicContact CD1-CE1 4.43Å; L148-Y152 HydrophobicContact CD1-CE2 3.83Å; L148-Y152 HydrophobicContact CD2-CE2 4.1Å; L148-Y152 HydrophobicContact CG-CD2 4.24Å; L148-Y152 HydrophobicContact CG-CE2 3.55Å; L148-Y152 VanDerWaalsContact O-CD2 3.28Å; L148-Y152 WeakPolarHBondContact O-CD2 3.35Å; L148-Y152 PolarHBondContact O-N 3.4Å; L148-Q183 VanDerWaalsContact CD2-NE2 3.33Å |
| 149 | I | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 178.3 | -69.7 | 169.2 | 0 | 0 | 0 | 111 | F132 D145 C146 R151 Y152 Y153 I167 I181 Q183 L184 | F132-I149 HydrophobicContact CE1-CG2 4.46Å; F132-I149 HydrophobicContact CZ-CG2 4.25Å; D145-I149 WeakPolarHBondContact O-CB 3.37Å; D145-I149 VanDerWaalsContact O-CG1 3.32Å; D145-I149 WeakPolarHBondContact O-CG1 3.49Å; D145-I149 PolarHBondContact O-N 2.8Å; C146-I149 PolarHBondContact O-N 2.89Å; I149-R151 VanDerWaalsContact C-N 3.26Å; I149-R151 PolarHBondContact O-N 2.91Å; I149-Y152 PolarHBondContact O-N 3.4Å; I149-Y153 HydrophobicContact CG2-CD2 4.23Å; I149-Y153 WeakPolarHBondContact O-CD2 3.41Å; I149-Y153 PolarHBondContact O-N 3.4Å; I149-I167 HydrophobicContact CG2-CD1 4.26Å; I149-I167 HydrophobicContact CG2-CG1 4.47Å; I149-I167 HydrophobicContact CG2-CG2 4.36Å; I149-I181 HydrophobicContact CD1-CD1 4.47Å; I149-I181 HydrophobicContact CG1-CD1 4.33Å; I149-I181 HydrophobicContact CG2-CD1 3.54Å; I149-Q183 HydrophobicContact CD1-CG 4Å; I149-Q183 HydrophobicContact CG1-CG 4.35Å; I149-L184 HydrophobicContact CD1-CB 3.68Å; I149-L184 HydrophobicContact CD1-CD1 3.51Å; I149-L184 HydrophobicContact CD1-CG 4.2Å; I149-L184 HydrophobicContact CG2-CD1 4.29Å |
| 150 | F | 95 | Very high | 93.2 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 2% | 0.022 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.7 | -44.3 | 175.7 | -176 | -92.5 | 0 | 0 | 0 | 111.3 | I127 F132 C146 E147 Y152 Y153 S154 N157 L159 | I127-F150 WeakPolarHBondContact O-CE2 3.3Å; F132-F150 HydrophobicContact CB-CD2 3.61Å; F132-F150 HydrophobicContact CB-CE2 4.02Å; F132-F150 HydrophobicContact CD1-CB 3.82Å; F132-F150 AromaticContact CD1-CD2 3.84Å; F132-F150 HydrophobicContact CD1-CD2 3.84Å; F132-F150 HydrophobicContact CD1-CG 4.29Å; F132-F150 HydrophobicContact CE1-CB 4.18Å; F132-F150 AromaticContact CG-CD2 3.77Å; F132-F150 HydrophobicContact CG-CD2 3.77Å; C146-F150 WeakPolarHBondContact O-CB 3.07Å; C146-F150 PolarHBondContact O-N 3.37Å; E147-F150 PolarHBondContact O-N 3.16Å; F150-Y152 VanDerWaalsContact C-N 3.3Å; F150-Y152 PolarHBondContact O-N 2.93Å; F150-Y153 PolarHBondContact O-N 2.89Å; F150-S154 WeakPolarHBondContact O-CB 3.46Å; F150-S154 PolarHBondContact O-N 3.45Å; F150-S154 PolarHBondContact O-OG 2.95Å; F150-N157 WeakPolarHBondContact CZ-O 3.5Å; F150-L159 HydrophobicContact CD2-CB 4.48Å; F150-L159 HydrophobicContact CE2-CB 3.85Å |
| 151 | R | 93.6 | Very high | 93.2 | Very high | 162 Ų | 162 | 66.5 Ų | 66.5 | 61% | 0.611 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.9 | -31.2 | 177.5 | -71 | 174.3 | -174.6 | -167.1 | 1.9 | 113.5 | E147 L148 I149 | E147-R151 VanDerWaalsContact O-CG 3.32Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 2.83Å; E147-R151 VanDerWaalsContact O-N 3.08Å; E147-R151 IonicContact OE1-CZ 3.42Å; E147-R151 IonicContact OE1-NE 3.64Å; E147-R151 IonicContact OE1-NH2 2.64Å; E147-R151 PolarHBondContact OE1-NH2 3.19Å; L148-R151 PolarHBondContact O-N 3.49Å; I149-R151 VanDerWaalsContact C-N 3.26Å; I149-R151 PolarHBondContact O-N 2.91Å |
| 152 | Y | 93.1 | Very high | 93.1 | Very high | 123 Ų | 123 | 70.5 Ų | 70.5 | 48% | 0.482 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74.5 | -28.5 | 178.5 | -70.6 | -41.8 | 0 | 0 | 0 | 113.9 | L148 I149 F150 N180 | L148-Y152 HydrophobicContact CD1-CE1 4.43Å; L148-Y152 HydrophobicContact CD1-CE2 3.83Å; L148-Y152 HydrophobicContact CD2-CE2 4.1Å; L148-Y152 HydrophobicContact CG-CD2 4.24Å; L148-Y152 HydrophobicContact CG-CE2 3.55Å; L148-Y152 VanDerWaalsContact O-CD2 3.28Å; L148-Y152 WeakPolarHBondContact O-CD2 3.35Å; L148-Y152 PolarHBondContact O-N 3.4Å; I149-Y152 PolarHBondContact O-N 3.4Å; F150-Y152 VanDerWaalsContact C-N 3.3Å; F150-Y152 PolarHBondContact O-N 2.93Å; Y152-N180 HydrophobicContact CD2-CB 4.16Å; Y152-N180 HydrophobicContact CE2-CB 4.14Å |
| 153 | Y | 93.8 | Very high | 93.3 | Very high | 52 Ų | 52 | 69.4 Ų | 69.4 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -115.2 | -12.6 | -171.2 | -72.4 | -96.8 | 0 | 0 | 0 | 114.1 | I149 F150 L159 N163 I167 I181 | I149-Y153 HydrophobicContact CG2-CD2 4.23Å; I149-Y153 WeakPolarHBondContact O-CD2 3.41Å; I149-Y153 PolarHBondContact O-N 3.4Å; F150-Y153 PolarHBondContact O-N 2.89Å; Y153-L159 WeakPolarHBondContact O-CD1 3.25Å; Y153-N163 WeakPolarHBondContact O-CB 3.45Å; Y153-N163 PolarHBondContact O-ND2 2.92Å; Y153-I167 HydrophobicContact CD1-CG1 3.78Å; Y153-I167 HydrophobicContact CD2-CD1 4.44Å; Y153-I167 HydrophobicContact CD2-CG1 4.04Å; Y153-I167 HydrophobicContact CE1-CG1 4.27Å; Y153-I167 HydrophobicContact CG-CD1 4.02Å; Y153-I167 HydrophobicContact CG-CG1 3.66Å; Y153-I181 HydrophobicContact CD2-CD1 3.9Å; Y153-I181 HydrophobicContact CE1-CD1 4.5Å; Y153-I181 HydrophobicContact CE2-CD1 3.22Å; Y153-I181 HydrophobicContact CE2-CG1 3.78Å; Y153-I181 WeakPolarHBondContact OH-CG1 3.18Å |
| 154 | S | 93.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 66.1 Ų | 66.1 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | trans | -74.8 | 143 | 174.3 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | F150 K158 | F150-S154 WeakPolarHBondContact O-CB 3.46Å; F150-S154 PolarHBondContact O-N 3.45Å; F150-S154 PolarHBondContact O-OG 2.95Å; S154-K158 CarbonylContact C-O 3.58Å; S154-K158 WeakPolarHBondContact CA-O 3.23Å; S154-K158 WeakPolarHBondContact CB-O 3.37Å | ||
| 155 | D | 91 | Very high | 93.5 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | B | Isolated β-bridge | trans | -104.7 | 124.6 | 166.5 | -174.7 | 15.2 | 0 | 0 | 0 | 107.9 | N157 K158 | D155-N157 VanDerWaalsContact C-N 3.26Å; D155-N157 PolarHBondContact O-N 2.92Å; D155-K158 PolarHBondContact N-O 2.86Å; D155-K158 PolarHBondContact O-N 3.44Å |
| 156 | K | 89.6 | Confident | 93.6 | Very high | 182 Ų | 182 | 62.1 Ų | 62.1 | 79% | 0.791 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 42.6 | -177.1 | -59.1 | 171.7 | -173.4 | 173.5 | 0 | 113.9 | K158 | K156-K158 PolarHBondContact O-N 3.46Š|
| 157 | N | 91.4 | Very high | 93.7 | Very high | 125 Ų | 125 | 62.1 Ų | 62.1 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 17.2 | -177.8 | -53.2 | -47 | 0 | 0 | 0 | 115.5 | F150 D155 | F150-N157 WeakPolarHBondContact CZ-O 3.5Å; D155-N157 VanDerWaalsContact C-N 3.26Å; D155-N157 PolarHBondContact O-N 2.92Å |
| 158 | K | 94.9 | Very high | 93.8 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 34% | 0.335 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.4 | 174.9 | -68.7 | -162 | 173.3 | -160.9 | 0 | 110.3 | D124 L126 I128 S154 D155 K156 | D124-K158 IonicContact OD2-NZ 2.64Å; D124-K158 PolarHBondContact OD2-NZ 3.19Å; L126-K158 HydrophobicContact CB-CB 4.13Å; L126-K158 HydrophobicContact CB-CD 4Å; L126-K158 HydrophobicContact CD1-CB 4.21Å; L126-K158 HydrophobicContact CD1-CD 3.4Å; L126-K158 HydrophobicContact CD1-CG 4.44Å; L126-K158 HydrophobicContact CG-CD 4.29Å; I128-K158 HydrophobicContact CG2-CG 4.35Å; S154-K158 CarbonylContact C-O 3.58Å; S154-K158 WeakPolarHBondContact CA-O 3.23Å; S154-K158 WeakPolarHBondContact CB-O 3.37Å; D155-K158 PolarHBondContact N-O 2.86Å; D155-K158 PolarHBondContact O-N 3.44Å; K156-K158 PolarHBondContact O-N 3.46Å |
| 159 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.6 | 179.9 | -174.6 | 73.9 | 0 | 0 | 0 | 109.2 | L126 I127 F132 F150 Y153 N163 F164 I167 | L126-L159 WeakPolarHBondContact CA-O 3.36Å; I127-L159 HydrophobicContact CB-CB 4.17Å; I127-L159 PolarHBondContact N-O 3.11Å; I127-L159 PolarHBondContact O-N 3.03Å; F132-L159 HydrophobicContact CD2-CD2 3.93Å; F132-L159 HydrophobicContact CE2-CD2 4.22Å; F150-L159 HydrophobicContact CD2-CB 4.48Å; F150-L159 HydrophobicContact CE2-CB 3.85Å; Y153-L159 WeakPolarHBondContact O-CD1 3.25Å; L159-N163 HydrophobicContact CD1-CB 3.5Å; L159-N163 VanDerWaalsContact CD1-CB 3.5Å; L159-N163 HydrophobicContact CG-CB 4.35Å; L159-F164 HydrophobicContact CD2-CB 3.89Å; L159-F164 HydrophobicContact CD2-CD2 3.69Å; L159-F164 HydrophobicContact CD2-CG 4.3Å; L159-F164 HydrophobicContact CG-CB 4.17Å; L159-I167 HydrophobicContact CD1-CD1 3.99Å; L159-I167 HydrophobicContact CD2-CD1 3.94Å |
| 160 | S | 95.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 159.4 | 174.3 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | E162 N163 F164 | S160-E162 PolarHBondContact O-N 3.25Å; S160-N163 PolarHBondContact O-N 3.5Å; S160-N163 VanDerWaalsContact O-N 3.07Å; S160-N163 PolarHBondContact OG-N 3.49Å; S160-F164 WeakPolarHBondContact O-CB 3.39Å; S160-F164 PolarHBondContact O-N 3.35Å |
| 161 | K | 94.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.1 | -38.4 | 172.8 | -173.4 | 174.7 | 178.1 | 178.9 | 0 | 112.5 | E113 F116 F164 L165 | E113-K161 IonicContact OE1-NZ 2.95Å; E113-K161 PolarHBondContact OE1-NZ 2.94Å; E113-K161 IonicContact OE2-NZ 2.91Å; E113-K161 PolarHBondContact OE2-NZ 2.85Å; F116-K161 HydrophobicContact CD1-CG 4.49Å; F116-K161 HydrophobicContact CD2-CB 4.19Å; F116-K161 HydrophobicContact CD2-CG 4.31Å; F116-K161 HydrophobicContact CE1-CB 4.3Å; F116-K161 VanDerWaalsContact CE2-CA 3.48Å; F116-K161 HydrophobicContact CE2-CB 3.93Å; F116-K161 HydrophobicContact CG-CG 4.3Å; F116-K161 HydrophobicContact CZ-CB 4.01Å; K161-F164 PolarHBondContact O-N 3.36Å; K161-L165 VanDerWaalsContact O-CB 3.32Å; K161-L165 WeakPolarHBondContact O-CB 3.22Å; K161-L165 PolarHBondContact O-N 3.11Å |
| 162 | E | 93.4 | Very high | 93.9 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 177.4 | -65.1 | -176 | 177.3 | 0 | 0 | 112.8 | M1 S160 L165 K166 | M1-E162 WeakPolarHBondContact CE-OE1 3.44Å; S160-E162 PolarHBondContact O-N 3.25Å; E162-L165 PolarHBondContact O-N 2.91Å; E162-K166 VanDerWaalsContact O-CG 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.37Å; E162-K166 PolarHBondContact O-N 2.87Å |
| 163 | N | 94.6 | Very high | 94 | Very high | 33 Ų | 33 | 44 Ų | 44 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.3 | -34.7 | 178.7 | -72.1 | -10.9 | 0 | 0 | 0 | 111.5 | Y153 L159 S160 K166 I167 | Y153-N163 WeakPolarHBondContact O-CB 3.45Å; Y153-N163 PolarHBondContact O-ND2 2.92Å; L159-N163 HydrophobicContact CD1-CB 3.5Å; L159-N163 VanDerWaalsContact CD1-CB 3.5Å; L159-N163 HydrophobicContact CG-CB 4.35Å; S160-N163 PolarHBondContact O-N 3.5Å; S160-N163 VanDerWaalsContact O-N 3.07Å; S160-N163 PolarHBondContact OG-N 3.49Å; N163-K166 PolarHBondContact O-N 2.68Å; N163-K166 PolarHBondContact OD1-NZ 3Å; N163-I167 WeakPolarHBondContact O-CG1 3.23Å; N163-I167 PolarHBondContact O-N 3.06Å; N163-I167 VanDerWaalsContact O-N 3.13Å |
| 164 | F | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 170.2 | -174.7 | -100.1 | 0 | 0 | 0 | 111 | I112 L115 F116 I127 F132 L135 L159 S160 K161 K166 I167 F168 | I112-F164 HydrophobicContact CG2-CD1 3.66Å; I112-F164 HydrophobicContact CG2-CE1 3.88Å; L115-F164 HydrophobicContact CB-CE1 4.38Å; L115-F164 HydrophobicContact CB-CZ 4.37Å; F116-F164 HydrophobicContact CB-CD1 4.13Å; F116-F164 HydrophobicContact CB-CE1 4.08Å; F116-F164 HydrophobicContact CD2-CB 3.92Å; F116-F164 AromaticContact CD2-CD1 3.78Å; F116-F164 HydrophobicContact CD2-CD1 3.78Å; F116-F164 HydrophobicContact CD2-CD2 4.46Å; F116-F164 HydrophobicContact CD2-CE1 4.4Å; F116-F164 AromaticContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CD2-CG 3.82Å; F116-F164 HydrophobicContact CE2-CB 4.2Å; F116-F164 HydrophobicContact CE2-CG 4.49Å; F116-F164 HydrophobicContact CG-CD1 4.46Å; I127-F164 HydrophobicContact CD1-CD2 3.68Å; I127-F164 HydrophobicContact CD1-CE2 3.85Å; I127-F164 HydrophobicContact CD1-CG 4.17Å; I127-F164 HydrophobicContact CD1-CZ 4.5Å; F132-F164 HydrophobicContact CD2-CD2 4.4Å; F132-F164 HydrophobicContact CD2-CE2 4.31Å; F132-F164 HydrophobicContact CE2-CD2 4.44Å; F132-F164 HydrophobicContact CE2-CE2 4.38Å; L135-F164 HydrophobicContact CD2-CE2 3.79Å; L135-F164 HydrophobicContact CD2-CZ 3.7Å; L159-F164 HydrophobicContact CD2-CB 3.89Å; L159-F164 HydrophobicContact CD2-CD2 3.69Å; L159-F164 HydrophobicContact CD2-CG 4.3Å; L159-F164 HydrophobicContact CG-CB 4.17Å; S160-F164 WeakPolarHBondContact O-CB 3.39Å; S160-F164 PolarHBondContact O-N 3.35Å; K161-F164 PolarHBondContact O-N 3.36Å; F164-K166 VanDerWaalsContact C-N 3.34Å; F164-K166 PolarHBondContact O-N 3.41Å; F164-I167 WeakPolarHBondContact O-CB 3.04Å; F164-I167 PolarHBondContact O-N 3.24Å; F164-F168 HydrophobicContact CD1-CD2 4.35Å; F164-F168 HydrophobicContact CD1-CE2 4.42Å; F164-F168 HydrophobicContact CD2-CE2 4.1Å; F164-F168 HydrophobicContact CE1-CD2 4.11Å; F164-F168 AromaticContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE2-CD2 4.32Å; F164-F168 AromaticContact CE2-CE2 3.53Å; F164-F168 HydrophobicContact CE2-CE2 3.53Å; F164-F168 HydrophobicContact CE2-CZ 4.35Å; F164-F168 HydrophobicContact CZ-CD2 4.09Å; F164-F168 AromaticContact CZ-CE2 3.4Å; F164-F168 HydrophobicContact CZ-CE2 3.4Å; F164-F168 HydrophobicContact CZ-CZ 4.03Å; F164-F168 WeakPolarHBondContact O-CD2 3.49Å; F164-F168 PolarHBondContact O-N 3.15Å |
| 165 | L | 94.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -44.1 | 175.1 | 176.8 | 56.3 | 0 | 0 | 0 | 112.1 | I3 F107 I112 K161 E162 I167 F168 I169 | I3-L165 HydrophobicContact CB-CD2 4.3Å; I3-L165 HydrophobicContact CD1-CD2 3.51Å; I3-L165 HydrophobicContact CD1-CG 4.17Å; I3-L165 HydrophobicContact CG1-CD2 4.07Å; F107-L165 HydrophobicContact CD1-CD1 4.01Å; F107-L165 HydrophobicContact CE1-CD1 4.11Å; I112-L165 HydrophobicContact CB-CD1 4.17Å; I112-L165 HydrophobicContact CG1-CD1 3.74Å; I112-L165 HydrophobicContact CG2-CB 4.1Å; I112-L165 HydrophobicContact CG2-CD1 3.99Å; K161-L165 VanDerWaalsContact O-CB 3.32Å; K161-L165 WeakPolarHBondContact O-CB 3.22Å; K161-L165 PolarHBondContact O-N 3.11Å; E162-L165 PolarHBondContact O-N 2.91Å; L165-I167 VanDerWaalsContact C-N 3.34Å; L165-I167 PolarHBondContact O-N 3.39Å; L165-F168 PolarHBondContact O-N 3.3Å; L165-I169 HydrophobicContact CD1-CD1 3.71Å; L165-I169 HydrophobicContact CD1-CG1 3.88Å; L165-I169 HydrophobicContact CD2-CD1 4.43Å; L165-I169 HydrophobicContact CG-CD1 3.67Å; L165-I169 HydrophobicContact CG-CG1 4.28Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 2.82Å |
| 166 | K | 93.5 | Very high | 93.8 | Very high | 96 Ų | 96 | 44.1 Ų | 44.1 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.3 | -74.3 | 170.4 | -167.9 | 162.1 | 0 | 113.2 | E162 N163 F164 F168 I169 D170 | E162-K166 VanDerWaalsContact O-CG 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.37Å; E162-K166 PolarHBondContact O-N 2.87Å; N163-K166 PolarHBondContact O-N 2.68Å; N163-K166 PolarHBondContact OD1-NZ 3Å; F164-K166 VanDerWaalsContact C-N 3.34Å; F164-K166 PolarHBondContact O-N 3.41Å; K166-F168 VanDerWaalsContact C-N 3.34Å; K166-F168 PolarHBondContact O-N 3.05Å; K166-I169 PolarHBondContact O-N 3.22Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 3.32Å |
| 167 | I | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 177.7 | -68.5 | 166.4 | 0 | 0 | 0 | 110 | F132 I149 Y153 L159 N163 F164 L165 D170 F171 I181 L184 | F132-I167 HydrophobicContact CE2-CD1 4.18Å; F132-I167 HydrophobicContact CZ-CD1 4.26Å; I149-I167 HydrophobicContact CG2-CD1 4.26Å; I149-I167 HydrophobicContact CG2-CG1 4.47Å; I149-I167 HydrophobicContact CG2-CG2 4.36Å; Y153-I167 HydrophobicContact CD1-CG1 3.78Å; Y153-I167 HydrophobicContact CD2-CD1 4.44Å; Y153-I167 HydrophobicContact CD2-CG1 4.04Å; Y153-I167 HydrophobicContact CE1-CG1 4.27Å; Y153-I167 HydrophobicContact CG-CD1 4.02Å; Y153-I167 HydrophobicContact CG-CG1 3.66Å; L159-I167 HydrophobicContact CD1-CD1 3.99Å; L159-I167 HydrophobicContact CD2-CD1 3.94Å; N163-I167 WeakPolarHBondContact O-CG1 3.23Å; N163-I167 PolarHBondContact O-N 3.06Å; N163-I167 VanDerWaalsContact O-N 3.13Å; F164-I167 WeakPolarHBondContact O-CB 3.04Å; F164-I167 PolarHBondContact O-N 3.24Å; L165-I167 VanDerWaalsContact C-N 3.34Å; L165-I167 PolarHBondContact O-N 3.39Å; I167-D170 PolarHBondContact O-N 2.81Å; I167-F171 PolarHBondContact O-N 2.79Å; I167-I181 HydrophobicContact CB-CD1 4.44Å; I167-I181 HydrophobicContact CG1-CD1 4.21Å; I167-I181 HydrophobicContact CG2-CD1 4.02Å; I167-L184 HydrophobicContact CG2-CD1 4.48Å; I167-L184 HydrophobicContact CG2-CD2 3.83Å |
| 168 | F | 95.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.5 | -34.2 | -177.1 | -78.6 | -94.8 | 0 | 0 | 0 | 112.8 | F107 F111 I112 M136 F164 L165 K166 F171 F172 W185 | F107-F168 HydrophobicContact CE1-CB 4.18Å; F107-F168 HydrophobicContact CZ-CB 4.07Å; F111-F168 AromaticContact CE1-CD1 3.96Å; F111-F168 HydrophobicContact CE1-CD1 3.96Å; F111-F168 HydrophobicContact CE1-CE1 4.41Å; I112-F168 HydrophobicContact CD1-CB 3.35Å; I112-F168 HydrophobicContact CD1-CD1 3.98Å; I112-F168 HydrophobicContact CD1-CD2 4.08Å; I112-F168 HydrophobicContact CD1-CG 3.54Å; M136-F168 HydrophobicContact SD-CZ 4.04Å; F164-F168 HydrophobicContact CD1-CD2 4.35Å; F164-F168 HydrophobicContact CD1-CE2 4.42Å; F164-F168 HydrophobicContact CD2-CE2 4.1Å; F164-F168 HydrophobicContact CE1-CD2 4.11Å; F164-F168 AromaticContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE2-CD2 4.32Å; F164-F168 AromaticContact CE2-CE2 3.53Å; F164-F168 HydrophobicContact CE2-CE2 3.53Å; F164-F168 HydrophobicContact CE2-CZ 4.35Å; F164-F168 HydrophobicContact CZ-CD2 4.09Å; F164-F168 AromaticContact CZ-CE2 3.4Å; F164-F168 HydrophobicContact CZ-CE2 3.4Å; F164-F168 HydrophobicContact CZ-CZ 4.03Å; F164-F168 WeakPolarHBondContact O-CD2 3.49Å; F164-F168 PolarHBondContact O-N 3.15Å; L165-F168 PolarHBondContact O-N 3.3Å; K166-F168 VanDerWaalsContact C-N 3.34Å; K166-F168 PolarHBondContact O-N 3.05Å; F168-F171 PolarHBondContact O-N 2.92Å; F168-F172 HydrophobicContact CB-CD2 4.42Å; F168-F172 AromaticContact CD1-CD2 3.91Å; F168-F172 HydrophobicContact CD1-CD2 3.91Å; F168-F172 AromaticContact CD1-CE2 3.6Å; F168-F172 HydrophobicContact CD1-CE2 3.6Å; F168-F172 HydrophobicContact CE1-CE2 4.1Å; F168-F172 WeakPolarHBondContact O-CB 3.49Å; F168-F172 WeakPolarHBondContact O-CD2 3.42Å; F168-F172 PolarHBondContact O-N 3.39Å; F168-W185 HydrophobicContact CE1-CH2 4.48Å |
| 169 | I | 94.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 171.3 | -69.6 | 172.1 | 0 | 0 | 0 | 110.3 | I3 L5 P6 F107 L165 K166 F171 I173 L174 | I3-I169 HydrophobicContact CG2-CD1 3.97Å; L5-I169 HydrophobicContact CD2-CD1 3.39Å; L5-I169 HydrophobicContact CD2-CG1 3.63Å; P6-I169 HydrophobicContact CG-CG2 4.11Å; F107-I169 HydrophobicContact CD1-CG1 4.33Å; F107-I169 HydrophobicContact CE1-CG1 3.95Å; L165-I169 HydrophobicContact CD1-CD1 3.71Å; L165-I169 HydrophobicContact CD1-CG1 3.88Å; L165-I169 HydrophobicContact CD2-CD1 4.43Å; L165-I169 HydrophobicContact CG-CD1 3.67Å; L165-I169 HydrophobicContact CG-CG1 4.28Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 2.82Å; K166-I169 PolarHBondContact O-N 3.22Å; I169-F171 VanDerWaalsContact C-N 3.31Å; I169-F171 PolarHBondContact O-N 2.95Å; I169-I173 HydrophobicContact CG1-CD1 4.32Å; I169-I173 HydrophobicContact CG2-CB 4.31Å; I169-I173 HydrophobicContact CG2-CD1 4.32Å; I169-I173 WeakPolarHBondContact O-CA 3.39Å; I169-I173 VanDerWaalsContact O-CB 3.27Å; I169-I173 WeakPolarHBondContact O-CB 3.14Å; I169-I173 PolarHBondContact O-N 2.94Å; I169-L174 PolarHBondContact O-N 3.25Å |
| 170 | D | 94.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 179.9 | -166.8 | -20.7 | 0 | 0 | 0 | 111.1 | K17 K166 I167 L174 S179 I181 | K17-D170 PolarHBondContact NZ-O 2.78Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 3.32Å; I167-D170 PolarHBondContact O-N 2.81Å; D170-L174 HydrophobicContact CB-CD1 4.24Å; D170-S179 VanDerWaalsContact OD1-CB 3.29Å; D170-S179 WeakPolarHBondContact OD1-CB 3.24Å; D170-S179 PolarHBondContact OD1-OG 3.26Å; D170-S179 PolarHBondContact OD2-OG 3.07Å; D170-I181 HydrophobicContact CB-CB 4.13Å; D170-I181 HydrophobicContact CB-CG1 4.05Å; D170-I181 HydrophobicContact CB-CG2 4.11Å |
| 171 | F | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.4 | -50.7 | 178.3 | -165.5 | -93.8 | 0 | 0 | 0 | 113.8 | K17 M18 L21 I167 F168 I169 I181 L184 W185 | K17-F171 HydrophobicContact CB-CE1 4.25Å; K17-F171 HydrophobicContact CB-CE2 4.07Å; K17-F171 HydrophobicContact CB-CZ 3.79Å; K17-F171 HydrophobicContact CD-CD2 3.84Å; K17-F171 HydrophobicContact CD-CE2 3.85Å; K17-F171 HydrophobicContact CD-CG 4.31Å; K17-F171 HydrophobicContact CD-CZ 4.33Å; K17-F171 WeakPolarHBondContact CD-O 3.49Å; K17-F171 WeakPolarHBondContact CE-O 3.39Å; K17-F171 HydrophobicContact CG-CD2 4.42Å; K17-F171 HydrophobicContact CG-CE2 3.91Å; K17-F171 HydrophobicContact CG-CZ 4.17Å; K17-F171 PolarHBondContact NZ-O 3.39Å; M18-F171 HydrophobicContact CE-CD1 3.95Å; M18-F171 HydrophobicContact CE-CE1 3.6Å; M18-F171 HydrophobicContact CE-CZ 4.36Å; L21-F171 HydrophobicContact CB-CE1 4.4Å; L21-F171 HydrophobicContact CD2-CE1 4.46Å; I167-F171 PolarHBondContact O-N 2.79Å; F168-F171 PolarHBondContact O-N 2.92Å; I169-F171 VanDerWaalsContact C-N 3.31Å; I169-F171 PolarHBondContact O-N 2.95Å; F171-I181 HydrophobicContact CB-CG2 3.62Å; F171-I181 HydrophobicContact CD2-CG2 4.02Å; F171-I181 WeakPolarHBondContact CD2-O 3.47Å; F171-I181 HydrophobicContact CG-CG2 4.32Å; F171-L184 HydrophobicContact CB-CD2 4.03Å; F171-L184 HydrophobicContact CD2-CB 3.81Å; F171-L184 HydrophobicContact CD2-CD2 4.15Å; F171-L184 HydrophobicContact CE2-CB 4.11Å; F171-L184 HydrophobicContact CG-CD2 4.07Å; F171-W185 AromaticContact CD1-CE3 3.82Å; F171-W185 HydrophobicContact CD1-CE3 3.82Å; F171-W185 HydrophobicContact CD1-CH2 4.37Å; F171-W185 AromaticContact CD1-CZ3 3.37Å; F171-W185 HydrophobicContact CD1-CZ3 3.37Å; F171-W185 AromaticContact CD2-CE3 3.98Å; F171-W185 HydrophobicContact CD2-CE3 3.98Å; F171-W185 HydrophobicContact CD2-CZ3 4.07Å; F171-W185 HydrophobicContact CE1-CD2 4.39Å; F171-W185 AromaticContact CE1-CE3 3.39Å; F171-W185 HydrophobicContact CE1-CE3 3.39Å; F171-W185 HydrophobicContact CE1-CH2 4.41Å; F171-W185 AromaticContact CE1-CZ3 3.37Å; F171-W185 HydrophobicContact CE1-CZ3 3.37Å; F171-W185 AromaticContact CE2-CE3 3.58Å; F171-W185 HydrophobicContact CE2-CE3 3.58Å; F171-W185 HydrophobicContact CE2-CZ3 4.09Å; F171-W185 HydrophobicContact CG-CE3 4.09Å; F171-W185 AromaticContact CG-CZ3 3.72Å; F171-W185 HydrophobicContact CG-CZ3 3.72Å; F171-W185 HydrophobicContact CZ-CD2 4.17Å; F171-W185 AromaticContact CZ-CE3 3.25Å; F171-W185 HydrophobicContact CZ-CE3 3.25Å; F171-W185 AromaticContact CZ-CZ3 3.76Å; F171-W185 HydrophobicContact CZ-CZ3 3.76Å |
| 172 | F | 94.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -87.8 | -23.6 | -171 | -76.2 | -80.4 | 0 | 0 | 0 | 114.3 | W14 M18 L21 L95 L99 F107 F111 F168 W185 | W14-F172 PolarHBondContact NE1-O 3.43Å; M18-F172 HydrophobicContact CE-CD1 4.15Å; M18-F172 HydrophobicContact SD-CD1 4.13Å; M18-F172 HydrophobicContact SD-CE1 4.36Å; L21-F172 HydrophobicContact CD2-CE1 3.6Å; L21-F172 HydrophobicContact CD2-CZ 3.85Å; L95-F172 HydrophobicContact CD2-CE1 4.49Å; L99-F172 WeakPolarHBondContact CD1-O 3.08Å; L99-F172 HydrophobicContact CD2-CB 4.49Å; F107-F172 HydrophobicContact CE2-CB 4.19Å; F107-F172 HydrophobicContact CZ-CB 4.17Å; F107-F172 HydrophobicContact CZ-CD2 4.43Å; F111-F172 HydrophobicContact CE1-CD2 4.4Å; F111-F172 HydrophobicContact CE1-CE2 4.14Å; F111-F172 HydrophobicContact CZ-CE2 4.38Å; F111-F172 HydrophobicContact CZ-CZ 4.44Å; F168-F172 HydrophobicContact CB-CD2 4.42Å; F168-F172 AromaticContact CD1-CD2 3.91Å; F168-F172 HydrophobicContact CD1-CD2 3.91Å; F168-F172 AromaticContact CD1-CE2 3.6Å; F168-F172 HydrophobicContact CD1-CE2 3.6Å; F168-F172 HydrophobicContact CE1-CE2 4.1Å; F168-F172 WeakPolarHBondContact O-CB 3.49Å; F168-F172 WeakPolarHBondContact O-CD2 3.42Å; F168-F172 PolarHBondContact O-N 3.39Å; F172-W185 HydrophobicContact CE2-CH2 4.03Å; F172-W185 HydrophobicContact CE2-CZ3 4.29Å; F172-W185 HydrophobicContact CZ-CH2 4.07Å; F172-W185 HydrophobicContact CZ-CZ3 4.43Å |
| 173 | I | 93.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -50.4 | -170 | -62.7 | 175.1 | 0 | 0 | 0 | 111.8 | L5 P6 V8 L99 F107 I169 | L5-I173 HydrophobicContact CB-CD1 4.23Å; L5-I173 HydrophobicContact CD1-CD1 4.19Å; L5-I173 HydrophobicContact CD2-CD1 3.86Å; L5-I173 HydrophobicContact CG-CD1 4.33Å; P6-I173 HydrophobicContact CB-CG2 3.96Å; P6-I173 HydrophobicContact CG-CG2 3.69Å; P6-I173 WeakPolarHBondContact O-CG2 3.45Å; V8-I173 HydrophobicContact CG2-CB 4.17Å; V8-I173 HydrophobicContact CG2-CG1 4.11Å; V8-I173 HydrophobicContact CG2-CG2 3.73Å; L99-I173 HydrophobicContact CD2-CG1 4.38Å; F107-I173 HydrophobicContact CD1-CD1 4.45Å; F107-I173 HydrophobicContact CE1-CD1 4.47Å; I169-I173 HydrophobicContact CG1-CD1 4.32Å; I169-I173 HydrophobicContact CG2-CB 4.31Å; I169-I173 HydrophobicContact CG2-CD1 4.32Å; I169-I173 WeakPolarHBondContact O-CA 3.39Å; I169-I173 VanDerWaalsContact O-CB 3.27Å; I169-I173 WeakPolarHBondContact O-CB 3.14Å; I169-I173 PolarHBondContact O-N 2.94Å |
| 174 | L | 93.3 | Very high | 93.2 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 31% | 0.314 | 19% | 0.186 | S | C | . | . | trans | -72.3 | 148.4 | -172.9 | -63.6 | -178.2 | 0 | 0 | 0 | 112.8 | P6 K17 I169 D170 | P6-L174 HydrophobicContact CB-CD2 3.84Å; P6-L174 HydrophobicContact CG-CD2 3.42Å; P6-L174 VanDerWaalsContact CG-CD2 3.42Å; P6-L174 HydrophobicContact CG-CG 4.32Å; K17-L174 PolarHBondContact NZ-O 2.94Å; I169-L174 PolarHBondContact O-N 3.25Å; D170-L174 HydrophobicContact CB-CD1 4.24Å | ||
| 175 | D | 91.8 | Very high | 93.1 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | trans | -110.2 | 51.6 | 174.6 | -170.1 | 31.1 | 0 | 0 | 0 | 111.2 | T9 G11 T13 W14 | T9-D175 WeakPolarHBondContact OG1-CB 3.49Å; G11-D175 WeakPolarHBondContact CA-OD2 3.49Å; T13-D175 VanDerWaalsContact CA-OD1 3.24Å; T13-D175 WeakPolarHBondContact CA-OD1 3.41Å; T13-D175 WeakPolarHBondContact CB-OD1 3.42Å; T13-D175 PolarHBondContact N-OD1 3.44Å; T13-D175 PolarHBondContact OG1-OD1 3.32Å; W14-D175 HydrophobicContact CB-CB 4.42Å; W14-D175 PolarHBondContact N-OD1 2.76Å | ||
| 176 | N | 90.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | trans | -100.2 | 108.6 | -177.3 | -176.9 | 4.4 | 0 | 0 | 0 | 112.1 | K178 S179 N182 | N176-K178 PolarHBondContact O-N 3.2Å; N176-K178 PolarHBondContact OD1-N 2.85Å; N176-S179 PolarHBondContact O-N 2.75Å; N176-N182 PolarHBondContact O-ND2 3.45Å | ||
| 177 | S | 89.2 | Confident | 92.6 | Very high | 85 Ų | 85 | 38.9 Ų | 38.9 | 59% | 0.594 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.6 | 177.8 | 61.6 | 0 | 0 | 0 | 0 | 114.8 | N182 | S177-N182 PolarHBondContact O-ND2 3.38Š|
| 178 | K | 90.6 | Very high | 92.4 | Very high | 183 Ų | 183 | 40.3 Ų | 40.3 | 80% | 0.796 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.7 | -179.4 | -60.9 | -178.4 | -179.5 | 178 | 0 | 113.6 | N176 | N176-K178 PolarHBondContact O-N 3.2Å; N176-K178 PolarHBondContact OD1-N 2.85Å |
| 179 | S | 92.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | trans | -68.6 | 133.9 | -179.2 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | D170 N176 I181 N182 | D170-S179 VanDerWaalsContact OD1-CB 3.29Å; D170-S179 WeakPolarHBondContact OD1-CB 3.24Å; D170-S179 PolarHBondContact OD1-OG 3.26Å; D170-S179 PolarHBondContact OD2-OG 3.07Å; N176-S179 PolarHBondContact O-N 2.75Å; S179-I181 PolarHBondContact O-N 3.07Å; S179-I181 WeakPolarHBondContact OG-CB 3.43Å; S179-I181 PolarHBondContact OG-N 2.85Å; S179-N182 WeakPolarHBondContact O-CB 3.14Å; S179-N182 PolarHBondContact O-N 2.77Å; S179-N182 PolarHBondContact O-ND2 2.92Å | ||
| 180 | N | 90.9 | Very high | 90.6 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -64.2 | -19 | 171.3 | -68.8 | -23.7 | 0 | 0 | 0 | 112.2 | Y152 N182 Q183 | Y152-N180 HydrophobicContact CD2-CB 4.16Å; Y152-N180 HydrophobicContact CE2-CB 4.14Å; N180-N182 PolarHBondContact O-N 3.11Å; N180-Q183 WeakPolarHBondContact O-CG 3.46Å; N180-Q183 PolarHBondContact O-NE2 2.82Å |
| 181 | I | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -74 | -16.2 | 177.3 | -64.8 | -56.8 | 0 | 0 | 0 | 112.4 | I149 Y153 I167 D170 F171 S179 Q183 L184 | I149-I181 HydrophobicContact CD1-CD1 4.47Å; I149-I181 HydrophobicContact CG1-CD1 4.33Å; I149-I181 HydrophobicContact CG2-CD1 3.54Å; Y153-I181 HydrophobicContact CD2-CD1 3.9Å; Y153-I181 HydrophobicContact CE1-CD1 4.5Å; Y153-I181 HydrophobicContact CE2-CD1 3.22Å; Y153-I181 HydrophobicContact CE2-CG1 3.78Å; Y153-I181 WeakPolarHBondContact OH-CG1 3.18Å; I167-I181 HydrophobicContact CB-CD1 4.44Å; I167-I181 HydrophobicContact CG1-CD1 4.21Å; I167-I181 HydrophobicContact CG2-CD1 4.02Å; D170-I181 HydrophobicContact CB-CB 4.13Å; D170-I181 HydrophobicContact CB-CG1 4.05Å; D170-I181 HydrophobicContact CB-CG2 4.11Å; F171-I181 HydrophobicContact CB-CG2 3.62Å; F171-I181 HydrophobicContact CD2-CG2 4.02Å; F171-I181 WeakPolarHBondContact CD2-O 3.47Å; F171-I181 HydrophobicContact CG-CG2 4.32Å; S179-I181 PolarHBondContact O-N 3.07Å; S179-I181 WeakPolarHBondContact OG-CB 3.43Å; S179-I181 PolarHBondContact OG-N 2.85Å; I181-Q183 PolarHBondContact O-N 2.74Å; I181-L184 HydrophobicContact CG2-CB 4.33Å; I181-L184 HydrophobicContact CG2-CD2 4.28Å; I181-L184 WeakPolarHBondContact O-CB 3.4Å; I181-L184 PolarHBondContact O-N 3.16Å |
| 182 | N | 92.9 | Very high | 87.5 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -57.8 | -21.6 | 177.4 | -72.1 | -25.3 | 0 | 0 | 0 | 113.3 | K17 N176 S177 S179 N180 L188 | K17-N182 WeakPolarHBondContact CD-OD1 3.17Å; N176-N182 PolarHBondContact O-ND2 3.45Å; S177-N182 PolarHBondContact O-ND2 3.38Å; S179-N182 WeakPolarHBondContact O-CB 3.14Å; S179-N182 PolarHBondContact O-N 2.77Å; S179-N182 PolarHBondContact O-ND2 2.92Å; N180-N182 PolarHBondContact O-N 3.11Å; N182-L188 HydrophobicContact CB-CD1 3.92Å; N182-L188 HydrophobicContact CB-CG 4.2Å; N182-L188 WeakPolarHBondContact O-CD2 3.36Å |
| 183 | Q | 92 | Very high | 85.8 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 22% | 0.22 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -89.2 | 7.5 | 176 | 78.6 | -162.5 | -23.4 | 0 | 0 | 114.3 | D145 L148 I149 N180 I181 W185 G186 | D145-Q183 HydrophobicContact CB-CG 4.36Å; D145-Q183 WeakPolarHBondContact CB-O 3.4Å; L148-Q183 VanDerWaalsContact CD2-NE2 3.33Å; I149-Q183 HydrophobicContact CD1-CG 4Å; I149-Q183 HydrophobicContact CG1-CG 4.35Å; N180-Q183 WeakPolarHBondContact O-CG 3.46Å; N180-Q183 PolarHBondContact O-NE2 2.82Å; I181-Q183 PolarHBondContact O-N 2.74Å; Q183-W185 PolarHBondContact O-N 2.98Å; Q183-G186 WeakPolarHBondContact CA-O 3.31Å; Q183-G186 WeakPolarHBondContact O-CA 3.05Å; Q183-G186 PolarHBondContact O-N 3.04Å |
| 184 | L | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.9 | -176.4 | -175.6 | 61.1 | 0 | 0 | 0 | 113.7 | F132 M136 S141 I149 I167 F171 I181 | F132-L184 HydrophobicContact CZ-CD1 4.31Å; M136-L184 HydrophobicContact CE-CD1 3.52Å; M136-L184 HydrophobicContact CE-CD2 4.14Å; M136-L184 HydrophobicContact CE-CG 3.66Å; M136-L184 HydrophobicContact SD-CD1 4.23Å; S141-L184 WeakPolarHBondContact CB-O 3.3Å; S141-L184 PolarHBondContact OG-O 2.69Å; I149-L184 HydrophobicContact CD1-CB 3.68Å; I149-L184 HydrophobicContact CD1-CD1 3.51Å; I149-L184 HydrophobicContact CD1-CG 4.2Å; I149-L184 HydrophobicContact CG2-CD1 4.29Å; I167-L184 HydrophobicContact CG2-CD1 4.48Å; I167-L184 HydrophobicContact CG2-CD2 3.83Å; F171-L184 HydrophobicContact CB-CD2 4.03Å; F171-L184 HydrophobicContact CD2-CB 3.81Å; F171-L184 HydrophobicContact CD2-CD2 4.15Å; F171-L184 HydrophobicContact CE2-CB 4.11Å; F171-L184 HydrophobicContact CG-CD2 4.07Å; I181-L184 HydrophobicContact CG2-CB 4.33Å; I181-L184 HydrophobicContact CG2-CD2 4.28Å; I181-L184 WeakPolarHBondContact O-CB 3.4Å; I181-L184 PolarHBondContact O-N 3.16Å |
| 185 | W | 93.4 | Very high | 82.5 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 24.5 | 170.4 | -86.2 | -87.4 | 0 | 0 | 0 | 112.5 | T20 L21 R24 M136 W139 F168 F171 F172 Q183 | T20-W185 HydrophobicContact CG2-CB 4.17Å; L21-W185 HydrophobicContact CD1-CD2 3.84Å; L21-W185 VanDerWaalsContact CD1-CE2 3.4Å; L21-W185 HydrophobicContact CD1-CE3 4.48Å; L21-W185 HydrophobicContact CD1-CG 4.18Å; L21-W185 HydrophobicContact CD1-CH2 4.33Å; L21-W185 HydrophobicContact CD1-CZ2 3.7Å; R24-W185 HydrophobicContact CG-CB 4.09Å; R24-W185 HydrophobicContact CG-CG 4.41Å; M136-W185 HydrophobicContact CE-CH2 3.86Å; M136-W185 HydrophobicContact CE-CZ2 3.71Å; M136-W185 HydrophobicContact CE-CZ3 4.3Å; W139-W185 HydrophobicContact CB-CZ2 4.21Å; W139-W185 HydrophobicContact CD2-CZ2 4.29Å; W139-W185 HydrophobicContact CE3-CH2 4.5Å; W139-W185 AromaticContact CE3-CZ2 3.67Å; W139-W185 HydrophobicContact CE3-CZ2 3.67Å; W139-W185 HydrophobicContact CZ3-CZ2 4.35Å; W139-W185 PolarHBondContact O-NE1 3.07Å; F168-W185 HydrophobicContact CE1-CH2 4.48Å; F171-W185 AromaticContact CD1-CE3 3.82Å; F171-W185 HydrophobicContact CD1-CE3 3.82Å; F171-W185 HydrophobicContact CD1-CH2 4.37Å; F171-W185 AromaticContact CD1-CZ3 3.37Å; F171-W185 HydrophobicContact CD1-CZ3 3.37Å; F171-W185 AromaticContact CD2-CE3 3.98Å; F171-W185 HydrophobicContact CD2-CE3 3.98Å; F171-W185 HydrophobicContact CD2-CZ3 4.07Å; F171-W185 HydrophobicContact CE1-CD2 4.39Å; F171-W185 AromaticContact CE1-CE3 3.39Å; F171-W185 HydrophobicContact CE1-CE3 3.39Å; F171-W185 HydrophobicContact CE1-CH2 4.41Å; F171-W185 AromaticContact CE1-CZ3 3.37Å; F171-W185 HydrophobicContact CE1-CZ3 3.37Å; F171-W185 AromaticContact CE2-CE3 3.58Å; F171-W185 HydrophobicContact CE2-CE3 3.58Å; F171-W185 HydrophobicContact CE2-CZ3 4.09Å; F171-W185 HydrophobicContact CG-CE3 4.09Å; F171-W185 AromaticContact CG-CZ3 3.72Å; F171-W185 HydrophobicContact CG-CZ3 3.72Å; F171-W185 HydrophobicContact CZ-CD2 4.17Å; F171-W185 AromaticContact CZ-CE3 3.25Å; F171-W185 HydrophobicContact CZ-CE3 3.25Å; F171-W185 AromaticContact CZ-CZ3 3.76Å; F171-W185 HydrophobicContact CZ-CZ3 3.76Å; F172-W185 HydrophobicContact CE2-CH2 4.03Å; F172-W185 HydrophobicContact CE2-CZ3 4.29Å; F172-W185 HydrophobicContact CZ-CH2 4.07Å; F172-W185 HydrophobicContact CZ-CZ3 4.43Å; Q183-W185 PolarHBondContact O-N 2.98Å |
| 186 | G | 89.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 88.8 | -172.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | D145 Q183 L188 | D145-G186 WeakPolarHBondContact OD2-CA 3.37Å; Q183-G186 WeakPolarHBondContact CA-O 3.31Å; Q183-G186 WeakPolarHBondContact O-CA 3.05Å; Q183-G186 PolarHBondContact O-N 3.04Å; G186-L188 PolarHBondContact O-N 3.2Å |
| 187 | L | 89.6 | Confident | 79.3 | Confident | 159 Ų | 159 | 68.7 Ų | 68.7 | 83% | 0.832 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -56.4 | 128.8 | 179.8 | -68.1 | 175.6 | 0 | 0 | 0 | 111.4 | I189 | L187-I189 PolarHBondContact O-N 2.77Š|
| 188 | L | 89.9 | Confident | 78.1 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -60 | 123.4 | 178 | -65.2 | -170.8 | 0 | 0 | 0 | 111 | T13 R16 K17 N182 G186 N190 | T13-L188 HydrophobicContact CG2-CD1 3.96Å; R16-L188 HydrophobicContact CB-CB 4.41Å; R16-L188 HydrophobicContact CB-CD1 4.3Å; R16-L188 PolarHBondContact NH2-O 3.1Å; R16-L188 VanDerWaalsContact NH2-O 3.14Å; K17-L188 HydrophobicContact CB-CD2 4.4Å; K17-L188 HydrophobicContact CG-CD1 4.17Å; K17-L188 HydrophobicContact CG-CD2 3.77Å; N182-L188 HydrophobicContact CB-CD1 3.92Å; N182-L188 HydrophobicContact CB-CG 4.2Å; N182-L188 WeakPolarHBondContact O-CD2 3.36Å; G186-L188 PolarHBondContact O-N 3.2Å; L188-N190 PolarHBondContact O-N 3.03Å |
| 189 | I | 82.3 | Confident | 77 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 132.7 | 175.1 | -64.9 | 175.7 | 0 | 0 | 0 | 109.6 | R16 T20 R23 L187 Y191 | R16-I189 PolarHBondContact NE-O 3.32Å; R16-I189 PolarHBondContact NH2-O 2.72Å; T20-I189 HydrophobicContact CG2-CG1 4.48Å; T20-I189 PolarHBondContact OG1-N 3.05Å; T20-I189 VanDerWaalsContact OG1-N 3.09Å; R23-I189 HydrophobicContact CB-CD1 3.85Å; R23-I189 VanDerWaalsContact CD-CD1 3.43Å; R23-I189 HydrophobicContact CG-CD1 4.28Å; L187-I189 PolarHBondContact O-N 2.77Å; I189-Y191 HydrophobicContact CG2-CD1 3.08Å; I189-Y191 HydrophobicContact CG2-CE1 3.32Å; I189-Y191 HydrophobicContact CG2-CG 4.02Å |
| 190 | N | 70.4 | Confident | 75.8 | Confident | 129 Ų | 129 | 70 Ų | 70 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | trans | -114.1 | 18 | -174.9 | -159.4 | 23.1 | 0 | 0 | 0 | 113.5 | L188 | L188-N190 PolarHBondContact O-N 3.03Š| ||
| 191 | Y | 66.3 | Low | 74.7 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 37% | 0.365 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 128 | 169.8 | 78.5 | -101 | 0 | 0 | 0 | 109.3 | E88 I189 R193 | E88-Y191 PolarHBondContact OE1-OH 3.5Å; E88-Y191 VanDerWaalsContact OE1-OH 3.07Å; E88-Y191 PolarHBondContact OE2-OH 2.77Å; I189-Y191 HydrophobicContact CG2-CD1 3.08Å; I189-Y191 HydrophobicContact CG2-CE1 3.32Å; I189-Y191 HydrophobicContact CG2-CG 4.02Å; Y191-R193 HydrophobicContact CD2-CG 4.16Å; Y191-R193 HydrophobicContact CE2-CG 3.62Å |
| 192 | K | 57.6 | Low | 73.7 | Confident | 129 Ų | 129 | 77.3 Ų | 77.3 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -84 | 127.7 | 163.5 | -70.8 | -173 | 178.9 | -169.6 | 0 | 107.6 | D196 Y197 | K192-D196 VanDerWaalsContact CA-OD2 3.31Å; K192-D196 WeakPolarHBondContact CA-OD2 3.29Å; K192-D196 HydrophobicContact CB-CB 4.04Å; K192-D196 HydrophobicContact CG-CB 4.37Å; K192-Y197 HydrophobicContact CB-CD2 4.33Å; K192-Y197 HydrophobicContact CB-CE1 4.3Å; K192-Y197 HydrophobicContact CB-CE2 3.61Å; K192-Y197 HydrophobicContact CD-CE1 4.15Å; K192-Y197 WeakPolarHBondContact O-CE2 3.39Å |
| 193 | R | 59.3 | Low | 73.2 | Confident | 62 Ų | 62 | 78 Ų | 78 | 23% | 0.234 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 160.5 | 167.8 | -70.8 | -173.4 | 172.2 | -137.5 | -5.1 | 109.5 | E88 N89 Y191 E195 D196 Y197 | E88-R193 IonicContact OE1-CZ 3.65Å; E88-R193 IonicContact OE1-NE 3.73Å; E88-R193 PolarHBondContact OE1-NE 3.4Å; E88-R193 IonicContact OE1-NH2 3.12Å; E88-R193 PolarHBondContact OE1-NH2 2.92Å; E88-R193 IonicContact OE2-NH2 2.69Å; N89-R193 VanDerWaalsContact CG-NH1 3.34Å; N89-R193 PolarHBondContact ND2-NH1 2.93Å; N89-R193 PolarHBondContact OD1-NH1 3.03Å; Y191-R193 HydrophobicContact CD2-CG 4.16Å; Y191-R193 HydrophobicContact CE2-CG 3.62Å; R193-E195 HydrophobicContact CB-CB 4.47Å; R193-E195 HydrophobicContact CB-CG 4.2Å; R193-E195 WeakPolarHBondContact CD-OE1 3.2Å; R193-E195 IonicContact NH1-OE1 2.82Å; R193-E195 PolarHBondContact NH1-OE1 3.31Å; R193-E195 PolarHBondContact O-N 3.3Å; R193-E195 VanDerWaalsContact O-N 3.16Å; R193-D196 PolarHBondContact N-OD2 3.32Å; R193-D196 WeakPolarHBondContact O-CB 3.39Å; R193-D196 PolarHBondContact O-N 3.12Å; R193-Y197 WeakPolarHBondContact O-CD2 3.44Å; R193-Y197 WeakPolarHBondContact O-CE2 3.04Å; R193-Y197 PolarHBondContact O-N 2.88Å |
| 194 | A | 58.3 | Low | 72.7 | Confident | 87 Ų | 87 | 80.8 Ų | 80.8 | 72% | 0.719 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -48.8 | -40.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | D196 Y197 | A194-D196 VanDerWaalsContact C-N 3.29Å; A194-D196 PolarHBondContact O-N 2.89Å; A194-Y197 WeakPolarHBondContact O-CB 3.49Å; A194-Y197 PolarHBondContact O-N 3.06Å; A194-Y197 VanDerWaalsContact O-N 3.11Å; A194-Y197 VanDerWaalsContact O-O 3.11Å |
| 195 | E | 59.2 | Low | 72.2 | Confident | 123 Ų | 123 | 85.6 Ų | 85.6 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -62 | -30.4 | 177.8 | -31.3 | 176.5 | -128.9 | 0 | 0 | 113.6 | N89 R193 Y197 | N89-E195 PolarHBondContact ND2-OE1 3.38Å; R193-E195 HydrophobicContact CB-CB 4.47Å; R193-E195 HydrophobicContact CB-CG 4.2Å; R193-E195 WeakPolarHBondContact CD-OE1 3.2Å; R193-E195 IonicContact NH1-OE1 2.82Å; R193-E195 PolarHBondContact NH1-OE1 3.31Å; R193-E195 PolarHBondContact O-N 3.3Å; R193-E195 VanDerWaalsContact O-N 3.16Å; E195-Y197 VanDerWaalsContact C-N 3.3Å |
| 196 | D | 58 | Low | 71.6 | Confident | 59 Ų | 59 | 90.1 Ų | 90.1 | 32% | 0.316 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -81.3 | -14.5 | 178.4 | -52.8 | -39 | 0 | 0 | 0 | 111.9 | R19 K192 R193 A194 | R19-D196 IonicContact CZ-OD1 3.42Å; R19-D196 IonicContact CZ-OD2 3.92Å; R19-D196 IonicContact NH1-OD1 2.68Å; R19-D196 IonicContact NH1-OD2 3.68Å; R19-D196 PolarHBondContact NH1-OD2 2.9Å; R19-D196 IonicContact NH2-OD1 3.26Å; R19-D196 PolarHBondContact NH2-OD1 2.85Å; R19-D196 IonicContact NH2-OD2 3.41Å; R19-D196 PolarHBondContact NH2-OD2 3.24Å; K192-D196 VanDerWaalsContact CA-OD2 3.31Å; K192-D196 WeakPolarHBondContact CA-OD2 3.29Å; K192-D196 HydrophobicContact CB-CB 4.04Å; K192-D196 HydrophobicContact CG-CB 4.37Å; R193-D196 PolarHBondContact N-OD2 3.32Å; R193-D196 WeakPolarHBondContact O-CB 3.39Å; R193-D196 PolarHBondContact O-N 3.12Å; A194-D196 VanDerWaalsContact C-N 3.29Å; A194-D196 PolarHBondContact O-N 2.89Å |
| 197 | Y | 57.2 | Low | 71.2 | Confident | 116 Ų | 116 | 94.1 Ų | 94.1 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -83.8 | 125.4 | 166.5 | -58.5 | -87.3 | 0 | 0 | 0 | 106.6 | K192 R193 A194 E195 I200 | K192-Y197 HydrophobicContact CB-CD2 4.33Å; K192-Y197 HydrophobicContact CB-CE1 4.3Å; K192-Y197 HydrophobicContact CB-CE2 3.61Å; K192-Y197 HydrophobicContact CD-CE1 4.15Å; K192-Y197 WeakPolarHBondContact O-CE2 3.39Å; R193-Y197 WeakPolarHBondContact O-CD2 3.44Å; R193-Y197 WeakPolarHBondContact O-CE2 3.04Å; R193-Y197 PolarHBondContact O-N 2.88Å; A194-Y197 WeakPolarHBondContact O-CB 3.49Å; A194-Y197 PolarHBondContact O-N 3.06Å; A194-Y197 VanDerWaalsContact O-N 3.11Å; A194-Y197 VanDerWaalsContact O-O 3.11Å; E195-Y197 VanDerWaalsContact C-N 3.3Å; Y197-I200 HydrophobicContact CD1-CD1 4.47Å; Y197-I200 HydrophobicContact CG-CD1 4.19Å |
| 198 | G | 63.7 | Low | 70.9 | Confident | 64 Ų | 64 | 89.9 Ų | 89.9 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | trans | -59.3 | -174.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I200 | G198-I200 PolarHBondContact O-N 3.29Š| ||
| 199 | T | 67.1 | Low | 70.6 | Confident | 152 Ų | 152 | 95.3 Ų | 95.3 | 93% | 0.933 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -51.9 | 117.3 | 170.9 | 48 | 0 | 0 | 0 | 0 | 109.9 | ||
| 200 | I | 66.1 | Low | 70.6 | Confident | 92 Ų | 92 | 97 Ų | 97 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | trans | -86.9 | 132.6 | 177 | -55.6 | 176.2 | 0 | 0 | 0 | 107.5 | Y197 G198 C202 | Y197-I200 HydrophobicContact CD1-CD1 4.47Å; Y197-I200 HydrophobicContact CG-CD1 4.19Å; G198-I200 PolarHBondContact O-N 3.29Å; I200-C202 PolarHBondContact O-N 3.44Å; I200-C202 PolarHBondContact O-SG 2.97Å | ||
| 201 | D | 68.9 | Low | 71.2 | Confident | 154 Ų | 154 | 97.6 Ų | 97.6 | 82% | 0.824 | 53% | 0.525 | S | S | * | . | trans | -65.8 | 107.1 | 170.3 | -77.3 | -31.8 | 0 | 0 | 0 | 110.2 | G203 | D201-G203 PolarHBondContact O-N 3.33Š| ||
| 202 | C | 73.5 | Confident | 72.1 | Confident | 84 Ų | 84 | 96.3 Ų | 96.3 | 57% | 0.568 | 53% | 0.526 | S | S | * | . | trans | -78.6 | 52.1 | 178.4 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | I200 W206 | I200-C202 PolarHBondContact O-N 3.44Å; I200-C202 PolarHBondContact O-SG 2.97Å; C202-W206 HydrophobicContact CB-CD2 4.22Å; C202-W206 HydrophobicContact CB-CE3 3.9Å; C202-W206 HydrophobicContact CB-CZ3 4.24Å | ||
| 203 | G | 81.3 | Confident | 73.3 | Confident | 30 Ų | 30 | 95 Ų | 95 | 31% | 0.309 | 52% | 0.523 | S | S | . | . | trans | -74.3 | 179 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | D201 V205 W206 E207 | D201-G203 PolarHBondContact O-N 3.33Å; G203-V205 PolarHBondContact O-N 3.26Å; G203-W206 WeakPolarHBondContact O-CB 3.38Å; G203-W206 PolarHBondContact O-N 3.15Å; G203-E207 PolarHBondContact O-N 3.45Å | ||
| 204 | P | 82.9 | Confident | 74.4 | Confident | 105 Ų | 105 | 95.7 Ų | 95.7 | 68% | 0.682 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -55.5 | -30.8 | -176.9 | -26.7 | 33.9 | 0 | 0 | 0 | 114.9 | S208 | P204-S208 WeakPolarHBondContact O-CB 3.28Å; P204-S208 PolarHBondContact O-N 2.93Å; P204-S208 PolarHBondContact O-OG 3.34Å |
| 205 | V | 82.1 | Confident | 75.5 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.8 | -41.5 | 176.5 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | G203 K209 | G203-V205 PolarHBondContact O-N 3.26Å; V205-K209 WeakPolarHBondContact O-CG 3.43Å; V205-K209 PolarHBondContact O-N 3.29Å; V205-K209 VanDerWaalsContact O-N 3.1Å |
| 206 | W | 80.6 | Confident | 76.5 | Confident | 97 Ų | 97 | 103.9 Ų | 103.9 | 37% | 0.367 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 175.4 | 179.7 | 94.8 | 0 | 0 | 0 | 110 | C202 G203 S208 K209 I210 | C202-W206 HydrophobicContact CB-CD2 4.22Å; C202-W206 HydrophobicContact CB-CE3 3.9Å; C202-W206 HydrophobicContact CB-CZ3 4.24Å; G203-W206 WeakPolarHBondContact O-CB 3.38Å; G203-W206 PolarHBondContact O-N 3.15Å; W206-S208 VanDerWaalsContact C-N 3.31Å; W206-S208 PolarHBondContact O-N 3.4Å; W206-K209 WeakPolarHBondContact O-CB 3.05Å; W206-K209 PolarHBondContact O-N 2.94Å; W206-K209 VanDerWaalsContact O-N 3.08Å; W206-I210 HydrophobicContact CD2-CG1 3.76Å; W206-I210 HydrophobicContact CE3-CG1 3.91Å; W206-I210 HydrophobicContact CH2-CD1 4.47Å; W206-I210 HydrophobicContact CH2-CG1 3.73Å; W206-I210 HydrophobicContact CZ2-CD1 3.93Å; W206-I210 HydrophobicContact CZ2-CG1 3.58Å; W206-I210 HydrophobicContact CZ3-CG1 3.89Å; W206-I210 WeakPolarHBondContact O-CG1 3.37Å; W206-I210 PolarHBondContact O-N 3.25Å |
| 207 | E | 80.9 | Confident | 77.7 | Confident | 85 Ų | 85 | 103.6 Ų | 103.6 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 178.1 | -168.7 | -170.2 | 158.1 | 0 | 0 | 111.6 | G203 K209 I210 R211 | G203-E207 PolarHBondContact O-N 3.45Å; E207-K209 PolarHBondContact O-N 3.23Å; E207-I210 PolarHBondContact O-N 3.3Å; E207-R211 WeakPolarHBondContact O-CB 3.17Å; E207-R211 WeakPolarHBondContact O-CG 3.15Å; E207-R211 PolarHBondContact O-N 2.99Å; E207-R211 IonicContact OE1-CZ 3.16Å; E207-R211 IonicContact OE1-NE 3.43Å; E207-R211 PolarHBondContact OE1-NE 2.93Å; E207-R211 IonicContact OE1-NH2 2.66Å; E207-R211 PolarHBondContact OE1-NH2 3.15Å |
| 208 | S | 83.5 | Confident | 78.7 | Confident | 71 Ų | 71 | 98.4 Ų | 98.4 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.3 | -65 | 0 | 0 | 0 | 0 | 112.1 | P204 W206 R211 T212 | P204-S208 WeakPolarHBondContact O-CB 3.28Å; P204-S208 PolarHBondContact O-N 2.93Å; P204-S208 PolarHBondContact O-OG 3.34Å; W206-S208 VanDerWaalsContact C-N 3.31Å; W206-S208 PolarHBondContact O-N 3.4Å; S208-R211 PolarHBondContact O-N 3.35Å; S208-T212 WeakPolarHBondContact O-CB 3.48Å; S208-T212 PolarHBondContact O-N 2.92Å; S208-T212 PolarHBondContact O-OG1 2.82Å |
| 209 | K | 82.8 | Confident | 79.5 | Confident | 143 Ų | 143 | 99 Ų | 99 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 176.4 | -72.4 | 174.5 | -178.4 | -179.7 | 0 | 111.9 | V205 W206 E207 T212 M213 | V205-K209 WeakPolarHBondContact O-CG 3.43Å; V205-K209 PolarHBondContact O-N 3.29Å; V205-K209 VanDerWaalsContact O-N 3.1Å; W206-K209 WeakPolarHBondContact O-CB 3.05Å; W206-K209 PolarHBondContact O-N 2.94Å; W206-K209 VanDerWaalsContact O-N 3.08Å; E207-K209 PolarHBondContact O-N 3.23Å; K209-T212 PolarHBondContact O-N 3.24Å; K209-M213 WeakPolarHBondContact O-CB 3.49Å; K209-M213 PolarHBondContact O-N 2.99Å |
| 210 | I | 82.2 | Confident | 80.2 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 32% | 0.318 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 178.1 | -63 | -56.4 | 0 | 0 | 0 | 111 | W206 E207 T212 M213 Y214 | W206-I210 HydrophobicContact CD2-CG1 3.76Å; W206-I210 HydrophobicContact CE3-CG1 3.91Å; W206-I210 HydrophobicContact CH2-CD1 4.47Å; W206-I210 HydrophobicContact CH2-CG1 3.73Å; W206-I210 HydrophobicContact CZ2-CD1 3.93Å; W206-I210 HydrophobicContact CZ2-CG1 3.58Å; W206-I210 HydrophobicContact CZ3-CG1 3.89Å; W206-I210 WeakPolarHBondContact O-CG1 3.37Å; W206-I210 PolarHBondContact O-N 3.25Å; E207-I210 PolarHBondContact O-N 3.3Å; I210-T212 PolarHBondContact O-N 3.06Å; I210-M213 HydrophobicContact CD1-CE 4.25Å; I210-M213 PolarHBondContact O-N 3.14Å; I210-Y214 WeakPolarHBondContact O-CB 3.4Å; I210-Y214 PolarHBondContact O-N 3.09Å |
| 211 | R | 83.3 | Confident | 81 | Confident | 141 Ų | 141 | 98.6 Ų | 98.6 | 53% | 0.532 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.5 | -73.1 | 178.3 | -175.8 | -80.8 | 3.5 | 112 | E207 S208 Y214 R215 | E207-R211 WeakPolarHBondContact O-CB 3.17Å; E207-R211 WeakPolarHBondContact O-CG 3.15Å; E207-R211 PolarHBondContact O-N 2.99Å; E207-R211 IonicContact OE1-CZ 3.16Å; E207-R211 IonicContact OE1-NE 3.43Å; E207-R211 PolarHBondContact OE1-NE 2.93Å; E207-R211 IonicContact OE1-NH2 2.66Å; E207-R211 PolarHBondContact OE1-NH2 3.15Å; S208-R211 PolarHBondContact O-N 3.35Å; R211-Y214 PolarHBondContact O-N 3.2Å; R211-R215 WeakPolarHBondContact O-CG 3.29Å; R211-R215 PolarHBondContact O-N 3.4Å |
| 212 | T | 85.4 | Confident | 81.7 | Confident | 65 Ų | 65 | 93.7 Ų | 93.7 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174.5 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | S208 K209 I210 R216 | S208-T212 WeakPolarHBondContact O-CB 3.48Å; S208-T212 PolarHBondContact O-N 2.92Å; S208-T212 PolarHBondContact O-OG1 2.82Å; K209-T212 PolarHBondContact O-N 3.24Å; I210-T212 PolarHBondContact O-N 3.06Å; T212-R216 WeakPolarHBondContact O-CG 3.46Å; T212-R216 PolarHBondContact O-N 3.49Å; T212-R216 VanDerWaalsContact O-N 3.16Å |
| 213 | M | 83.4 | Confident | 82.1 | Confident | 101 Ų | 101 | 96.6 Ų | 96.6 | 50% | 0.498 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -47.9 | 175.8 | -174.3 | -177.5 | 76.4 | 0 | 0 | 111 | K209 I210 R215 R216 L217 | K209-M213 WeakPolarHBondContact O-CB 3.49Å; K209-M213 PolarHBondContact O-N 2.99Å; I210-M213 HydrophobicContact CD1-CE 4.25Å; I210-M213 PolarHBondContact O-N 3.14Å; M213-R215 PolarHBondContact O-N 3.48Å; M213-R216 WeakPolarHBondContact O-CB 3.32Å; M213-R216 PolarHBondContact O-N 3.18Å; M213-L217 HydrophobicContact CE-CD1 4.41Å; M213-L217 HydrophobicContact CG-CD1 3.96Å; M213-L217 HydrophobicContact CG-CG 4.37Å; M213-L217 WeakPolarHBondContact O-CG 3.46Å; M213-L217 PolarHBondContact O-N 3.22Å |
| 214 | Y | 81.6 | Confident | 82.1 | Confident | 78 Ų | 78 | 102 Ų | 102 | 31% | 0.306 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.1 | -50 | 177.5 | -174.1 | -90.2 | 0 | 0 | 0 | 111.8 | I210 R211 R216 L217 D218 M223 K224 L225 | I210-Y214 WeakPolarHBondContact O-CB 3.4Å; I210-Y214 PolarHBondContact O-N 3.09Å; R211-Y214 PolarHBondContact O-N 3.2Å; Y214-R216 PolarHBondContact O-N 3.15Å; Y214-L217 PolarHBondContact O-N 3.18Å; Y214-D218 HydrophobicContact CE1-CB 4.38Å; Y214-D218 WeakPolarHBondContact O-CB 3.46Å; Y214-D218 PolarHBondContact O-N 3.49Å; Y214-M223 PolarHBondContact OH-O 2.83Å; Y214-K224 WeakPolarHBondContact OH-CA 3.25Å; Y214-K224 PolarHBondContact OH-N 3.22Å; Y214-L225 HydrophobicContact CD2-CD1 3.68Å; Y214-L225 HydrophobicContact CD2-CG 3.92Å; Y214-L225 HydrophobicContact CE2-CD1 3.69Å; Y214-L225 HydrophobicContact CE2-CD2 4.5Å; Y214-L225 HydrophobicContact CE2-CG 3.55Å; Y214-L225 PolarHBondContact OH-N 2.89Å |
| 215 | R | 81.9 | Confident | 81.8 | Confident | 186 Ų | 186 | 100.8 Ų | 100.8 | 70% | 0.702 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.5 | -30.9 | 176.8 | -72.5 | 177.8 | -175 | 168.6 | 1.4 | 113.4 | R211 M213 | R211-R215 WeakPolarHBondContact O-CG 3.29Å; R211-R215 PolarHBondContact O-N 3.4Å; M213-R215 PolarHBondContact O-N 3.48Å |
| 216 | R | 80.7 | Confident | 81.6 | Confident | 196 Ų | 196 | 101.8 Ų | 101.8 | 74% | 0.74 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -77.8 | -27.9 | 176 | -75.3 | -179.8 | 175.5 | 164.5 | -0.2 | 112.9 | T212 M213 Y214 | T212-R216 WeakPolarHBondContact O-CG 3.46Å; T212-R216 PolarHBondContact O-N 3.49Å; T212-R216 VanDerWaalsContact O-N 3.16Å; M213-R216 WeakPolarHBondContact O-CB 3.32Å; M213-R216 PolarHBondContact O-N 3.18Å; Y214-R216 PolarHBondContact O-N 3.15Å |
| 217 | L | 81.8 | Confident | 81.4 | Confident | 53 Ų | 53 | 98.9 Ų | 98.9 | 28% | 0.277 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -85.1 | -29.7 | 178.7 | -68.1 | 176.1 | 0 | 0 | 0 | 111.8 | M213 Y214 I219 L225 D229 I233 | M213-L217 HydrophobicContact CE-CD1 4.41Å; M213-L217 HydrophobicContact CG-CD1 3.96Å; M213-L217 HydrophobicContact CG-CG 4.37Å; M213-L217 WeakPolarHBondContact O-CG 3.46Å; M213-L217 PolarHBondContact O-N 3.22Å; Y214-L217 PolarHBondContact O-N 3.18Å; L217-I219 VanDerWaalsContact C-N 3.25Å; L217-I219 PolarHBondContact O-N 3.06Å; L217-L225 HydrophobicContact CB-CD1 4.42Å; L217-L225 HydrophobicContact CB-CD2 3.37Å; L217-L225 HydrophobicContact CD1-CD1 4.41Å; L217-D229 VanDerWaalsContact O-CB 3.3Å; L217-D229 WeakPolarHBondContact O-CB 3.41Å; L217-I233 HydrophobicContact CB-CD1 4.42Å; L217-I233 HydrophobicContact CD2-CD1 3.49Å; L217-I233 VanDerWaalsContact CD2-CD1 3.49Å |
| 218 | D | 80 | Confident | 81.1 | Confident | 6 Ų | 6 | 97.4 Ų | 97.4 | 3% | 0.032 | 45% | 0.452 | C | S | . | . | trans | -81.4 | 68.8 | 173 | -179.1 | 27.7 | 0 | 0 | 0 | 110.1 | Y214 N220 E221 T222 M223 L225 | Y214-D218 HydrophobicContact CE1-CB 4.38Å; Y214-D218 WeakPolarHBondContact O-CB 3.46Å; Y214-D218 PolarHBondContact O-N 3.49Å; D218-N220 PolarHBondContact O-N 2.96Å; D218-E221 PolarHBondContact O-N 3.1Å; D218-E221 PolarHBondContact OD1-N 2.94Å; D218-T222 PolarHBondContact OD1-N 3.04Å; D218-T222 PolarHBondContact OD1-OG1 2.9Å; D218-T222 VanDerWaalsContact OD1-OG1 3.08Å; D218-T222 PolarHBondContact OD2-N 3.27Å; D218-T222 VanDerWaalsContact OD2-N 3.15Å; D218-M223 WeakPolarHBondContact OD2-CA 3.4Å; D218-M223 PolarHBondContact OD2-N 2.86Å; D218-L225 HydrophobicContact CB-CD2 4.08Å | ||
| 219 | I | 78.7 | Confident | 80.8 | Confident | 78 Ų | 78 | 94 Ų | 94 | 40% | 0.4 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -36.6 | -176.6 | -66.7 | -179.4 | 0 | 0 | 0 | 111.4 | L217 E221 Q232 I233 | L217-I219 VanDerWaalsContact C-N 3.25Å; L217-I219 PolarHBondContact O-N 3.06Å; I219-E221 PolarHBondContact O-N 3.45Å; I219-Q232 HydrophobicContact CD1-CB 4.03Å; I219-I233 HydrophobicContact CD1-CD1 4.31Å; I219-I233 HydrophobicContact CD1-CG1 3.44Å; I219-I233 VanDerWaalsContact CD1-CG1 3.44Å; I219-I233 HydrophobicContact CG1-CG1 4.23Å |
| 220 | N | 81.8 | Confident | 80.5 | Confident | 65 Ų | 65 | 91 Ų | 91 | 35% | 0.348 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 7.5 | -177 | -62.8 | -75.6 | 0 | 0 | 0 | 113 | D218 T222 H228 D229 Q232 | D218-N220 PolarHBondContact O-N 2.96Å; N220-T222 HydrophobicContact CB-CG2 3.85Å; N220-T222 WeakPolarHBondContact O-CG2 3.37Å; N220-T222 PolarHBondContact O-N 3.08Å; N220-H228 PolarHBondContact ND2-NE2 2.84Å; N220-D229 PolarHBondContact ND2-OD1 3.21Å; N220-Q232 PolarHBondContact ND2-OE1 3.16Å |
| 221 | E | 82.8 | Confident | 80.3 | Confident | 170 Ų | 170 | 89 Ų | 89 | 79% | 0.794 | 41% | 0.408 | S | S | * | . | trans | 50.5 | 33.4 | 177.8 | -57.7 | -174.3 | 168.4 | 0 | 0 | 113.4 | D218 I219 M223 | D218-E221 PolarHBondContact O-N 3.1Å; D218-E221 PolarHBondContact OD1-N 2.94Å; I219-E221 PolarHBondContact O-N 3.45Å; E221-M223 PolarHBondContact O-N 3.34Å | ||
| 222 | T | 84.1 | Confident | 80.1 | Confident | 51 Ų | 51 | 85.5 Ų | 85.5 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -82.7 | -1.2 | -175.4 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | D218 N220 K224 | D218-T222 PolarHBondContact OD1-N 3.04Å; D218-T222 PolarHBondContact OD1-OG1 2.9Å; D218-T222 VanDerWaalsContact OD1-OG1 3.08Å; D218-T222 PolarHBondContact OD2-N 3.27Å; D218-T222 VanDerWaalsContact OD2-N 3.15Å; N220-T222 HydrophobicContact CB-CG2 3.85Å; N220-T222 WeakPolarHBondContact O-CG2 3.37Å; N220-T222 PolarHBondContact O-N 3.08Å; T222-K224 PolarHBondContact O-N 2.93Å; T222-K224 PolarHBondContact OG1-N 3.29Å; T222-K224 PolarHBondContact OG1-O 3.38Å |
| 223 | M | 82.1 | Confident | 79.7 | Confident | 145 Ų | 145 | 84.2 Ų | 84.2 | 71% | 0.714 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 58.1 | 20 | -167.9 | -60.4 | -72.9 | -76.5 | 0 | 0 | 112.2 | Y214 D218 E221 | Y214-M223 PolarHBondContact OH-O 2.83Å; D218-M223 WeakPolarHBondContact OD2-CA 3.4Å; D218-M223 PolarHBondContact OD2-N 2.86Å; E221-M223 PolarHBondContact O-N 3.34Å |
| 224 | K | 80.7 | Confident | 79.1 | Confident | 144 Ų | 144 | 79.6 Ų | 79.6 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -139.6 | 125.6 | 178.7 | -67.8 | -177.5 | 174.8 | 178.5 | 0 | 109.6 | Y214 T222 R226 | Y214-K224 WeakPolarHBondContact OH-CA 3.25Å; Y214-K224 PolarHBondContact OH-N 3.22Å; T222-K224 PolarHBondContact O-N 2.93Å; T222-K224 PolarHBondContact OG1-N 3.29Å; T222-K224 PolarHBondContact OG1-O 3.38Å; K224-R226 HydrophobicContact CB-CG 4.35Å; K224-R226 PolarHBondContact O-N 2.91Å |
| 225 | L | 76.9 | Confident | 78.9 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 41% | 0.414 | 37% | 0.374 | S | S | . | . | trans | -75.1 | 115.2 | 165.8 | -66.5 | 175.4 | 0 | 0 | 0 | 109.3 | Y214 L217 D218 | Y214-L225 HydrophobicContact CD2-CD1 3.68Å; Y214-L225 HydrophobicContact CD2-CG 3.92Å; Y214-L225 HydrophobicContact CE2-CD1 3.69Å; Y214-L225 HydrophobicContact CE2-CD2 4.5Å; Y214-L225 HydrophobicContact CE2-CG 3.55Å; Y214-L225 PolarHBondContact OH-N 2.89Å; L217-L225 HydrophobicContact CB-CD1 4.42Å; L217-L225 HydrophobicContact CB-CD2 3.37Å; L217-L225 HydrophobicContact CD1-CD1 4.41Å; D218-L225 HydrophobicContact CB-CD2 4.08Å | ||
| 226 | R | 78.1 | Confident | 78.7 | Confident | 122 Ų | 122 | 76.4 Ų | 76.4 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | trans | -113.8 | 159.3 | 172.3 | -25.4 | 177.4 | -107.8 | 176.5 | 9.7 | 109.7 | K224 H228 D229 | K224-R226 HydrophobicContact CB-CG 4.35Å; K224-R226 PolarHBondContact O-N 2.91Å; R226-H228 WeakPolarHBondContact CB-ND1 3.45Å; R226-H228 VanDerWaalsContact CZ-CE1 3.42Å; R226-H228 PolarHBondContact NE-CE1 3.38Å; R226-H228 PolarHBondContact NE-NE2 3.49Å; R226-H228 PolarHBondContact NH2-CE1 2.87Å; R226-H228 VanDerWaalsContact NH2-CE1 3.3Å; R226-H228 PolarHBondContact NH2-NE2 2.86Å; R226-H228 PolarHBondContact O-N 3.25Å; R226-D229 PolarHBondContact N-OD2 3.41Å; R226-D229 WeakPolarHBondContact O-CB 3.42Å; R226-D229 PolarHBondContact O-N 3.02Å | ||
| 227 | C | 75.9 | Confident | 78.3 | Confident | 35 Ų | 35 | 70.1 Ų | 70.1 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -46.4 | -39.2 | 174.5 | 161.1 | 0 | 0 | 0 | 0 | 112.7 | D229 L230 L231 C255 | C227-D229 VanDerWaalsContact C-N 3.28Å; C227-D229 PolarHBondContact O-N 3.42Å; C227-L230 WeakPolarHBondContact O-CB 3.39Å; C227-L230 PolarHBondContact O-N 3.05Å; C227-L230 VanDerWaalsContact O-N 3.17Å; C227-L231 WeakPolarHBondContact O-CG 3.5Å; C227-L231 PolarHBondContact O-N 2.96Å; C227-C255 WeakPolarHBondContact SG-CB 3.18Å; C227-C255 PolarHBondContact SG-O 2.92Å |
| 228 | H | 76.2 | Confident | 77.9 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 26% | 0.255 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -30.2 | 177.7 | 83 | -39.6 | 0 | 0 | 0 | 114.8 | N220 R226 L231 Q232 | N220-H228 PolarHBondContact ND2-NE2 2.84Å; R226-H228 WeakPolarHBondContact CB-ND1 3.45Å; R226-H228 VanDerWaalsContact CZ-CE1 3.42Å; R226-H228 PolarHBondContact NE-CE1 3.38Å; R226-H228 PolarHBondContact NE-NE2 3.49Å; R226-H228 PolarHBondContact NH2-CE1 2.87Å; R226-H228 VanDerWaalsContact NH2-CE1 3.3Å; R226-H228 PolarHBondContact NH2-NE2 2.86Å; R226-H228 PolarHBondContact O-N 3.25Å; H228-L231 PolarHBondContact O-N 3.23Å; H228-Q232 WeakPolarHBondContact O-CG 3.48Å; H228-Q232 PolarHBondContact O-N 2.88Å |
| 229 | D | 76.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.5 | -41.6 | 179.2 | -57.3 | -67.2 | 0 | 0 | 0 | 109 | L217 N220 R226 C227 L231 Q232 I233 | L217-D229 VanDerWaalsContact O-CB 3.3Å; L217-D229 WeakPolarHBondContact O-CB 3.41Å; N220-D229 PolarHBondContact ND2-OD1 3.21Å; R226-D229 PolarHBondContact N-OD2 3.41Å; R226-D229 WeakPolarHBondContact O-CB 3.42Å; R226-D229 PolarHBondContact O-N 3.02Å; C227-D229 VanDerWaalsContact C-N 3.28Å; C227-D229 PolarHBondContact O-N 3.42Å; D229-L231 VanDerWaalsContact C-N 3.34Å; D229-L231 PolarHBondContact O-N 3.39Å; D229-Q232 PolarHBondContact O-N 3.38Å; D229-I233 WeakPolarHBondContact O-CD1 3.22Å; D229-I233 WeakPolarHBondContact O-CG1 3.48Å; D229-I233 PolarHBondContact O-N 2.87Å |
| 230 | L | 77.3 | Confident | 77.7 | Confident | 78 Ų | 78 | 79.9 Ų | 79.9 | 41% | 0.408 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 174.8 | -62.7 | 177.6 | 0 | 0 | 0 | 111.7 | C227 I233 G234 | C227-L230 WeakPolarHBondContact O-CB 3.39Å; C227-L230 PolarHBondContact O-N 3.05Å; C227-L230 VanDerWaalsContact O-N 3.17Å; L230-I233 HydrophobicContact CD2-CD1 4.39Å; L230-I233 PolarHBondContact O-N 3.33Å; L230-G234 PolarHBondContact O-N 3.3Å |
| 231 | L | 78 | Confident | 77.3 | Confident | 20 Ų | 20 | 83 Ų | 83 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 173.4 | -70.3 | 176.1 | 0 | 0 | 0 | 111.6 | C227 H228 D229 G234 Q235 C252 C255 Y256 | C227-L231 WeakPolarHBondContact O-CG 3.5Å; C227-L231 PolarHBondContact O-N 2.96Å; H228-L231 PolarHBondContact O-N 3.23Å; D229-L231 VanDerWaalsContact C-N 3.34Å; D229-L231 PolarHBondContact O-N 3.39Å; L231-G234 PolarHBondContact O-N 2.99Å; L231-Q235 WeakPolarHBondContact O-CB 3.47Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.4Å; L231-Q235 PolarHBondContact O-N 3.38Å; L231-C252 VanDerWaalsContact CD2-CA 3.49Å; L231-C252 HydrophobicContact CD2-CB 3.63Å; L231-C255 HydrophobicContact CD2-CB 3.78Å; L231-C255 HydrophobicContact CG-CB 4Å; L231-Y256 HydrophobicContact CD1-CD2 4.47Å; L231-Y256 HydrophobicContact CD1-CE1 4.38Å; L231-Y256 HydrophobicContact CD1-CE2 3.95Å; L231-Y256 HydrophobicContact CD2-CD2 4.26Å; L231-Y256 HydrophobicContact CD2-CE2 4Å |
| 232 | Q | 77.9 | Confident | 76.9 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176 | -79 | 179.2 | -9 | 0 | 0 | 112 | I219 N220 H228 D229 G234 Q235 F236 | I219-Q232 HydrophobicContact CD1-CB 4.03Å; N220-Q232 PolarHBondContact ND2-OE1 3.16Å; H228-Q232 WeakPolarHBondContact O-CG 3.48Å; H228-Q232 PolarHBondContact O-N 2.88Å; D229-Q232 PolarHBondContact O-N 3.38Å; Q232-G234 VanDerWaalsContact C-N 3.35Å; Q232-Q235 PolarHBondContact O-N 3.24Å; Q232-F236 VanDerWaalsContact O-CB 3.3Å; Q232-F236 WeakPolarHBondContact O-CB 3.3Å; Q232-F236 PolarHBondContact O-N 2.97Å |
| 233 | I | 77.2 | Confident | 76 | Confident | 38 Ų | 38 | 80.9 Ų | 80.9 | 20% | 0.195 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 173.9 | -66.4 | 161.5 | 0 | 0 | 0 | 110.1 | L217 I219 D229 L230 Q235 F236 L237 | L217-I233 HydrophobicContact CB-CD1 4.42Å; L217-I233 HydrophobicContact CD2-CD1 3.49Å; L217-I233 VanDerWaalsContact CD2-CD1 3.49Å; I219-I233 HydrophobicContact CD1-CD1 4.31Å; I219-I233 HydrophobicContact CD1-CG1 3.44Å; I219-I233 VanDerWaalsContact CD1-CG1 3.44Å; I219-I233 HydrophobicContact CG1-CG1 4.23Å; D229-I233 WeakPolarHBondContact O-CD1 3.22Å; D229-I233 WeakPolarHBondContact O-CG1 3.48Å; D229-I233 PolarHBondContact O-N 2.87Å; L230-I233 HydrophobicContact CD2-CD1 4.39Å; L230-I233 PolarHBondContact O-N 3.33Å; I233-Q235 PolarHBondContact O-N 3.17Å; I233-F236 PolarHBondContact O-N 3Å; I233-L237 HydrophobicContact CG2-CD1 3.94Å; I233-L237 HydrophobicContact CG2-CG 4.31Å; I233-L237 VanDerWaalsContact O-CG 3.29Å; I233-L237 WeakPolarHBondContact O-CG 3.28Å; I233-L237 PolarHBondContact O-N 3.46Å |
| 234 | G | 71.9 | Confident | 75.5 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56 | -51.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L230 L231 Q232 F236 L237 I238 | L230-G234 PolarHBondContact O-N 3.3Å; L231-G234 PolarHBondContact O-N 2.99Å; Q232-G234 VanDerWaalsContact C-N 3.35Å; G234-F236 VanDerWaalsContact C-N 3.32Å; G234-F236 PolarHBondContact O-N 3.19Å; G234-L237 PolarHBondContact O-N 3.15Å; G234-I238 VanDerWaalsContact O-CG1 3.32Å; G234-I238 WeakPolarHBondContact O-CG1 3.42Å; G234-I238 PolarHBondContact O-N 2.66Å |
| 235 | Q | 76 | Confident | 74.9 | Confident | 103 Ų | 103 | 79.3 Ų | 79.3 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 176.4 | -73 | 176.1 | -3.5 | 0 | 0 | 112.6 | L231 Q232 I233 I238 Q239 | L231-Q235 WeakPolarHBondContact O-CB 3.47Å; L231-Q235 VanDerWaalsContact O-CG 3.3Å; L231-Q235 WeakPolarHBondContact O-CG 3.4Å; L231-Q235 PolarHBondContact O-N 3.38Å; Q232-Q235 PolarHBondContact O-N 3.24Å; I233-Q235 PolarHBondContact O-N 3.17Å; Q235-I238 WeakPolarHBondContact O-CB 3.34Å; Q235-I238 PolarHBondContact O-N 2.85Å; Q235-Q239 WeakPolarHBondContact O-CG 3.3Å; Q235-Q239 PolarHBondContact O-N 3.49Å |
| 236 | F | 77.7 | Confident | 74.5 | Confident | 95 Ų | 95 | 83.2 Ų | 83.2 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 177.8 | -172.6 | -103.6 | 0 | 0 | 0 | 112.5 | Q232 I233 G234 I238 Q239 R240 | Q232-F236 VanDerWaalsContact O-CB 3.3Å; Q232-F236 WeakPolarHBondContact O-CB 3.3Å; Q232-F236 PolarHBondContact O-N 2.97Å; I233-F236 PolarHBondContact O-N 3Å; G234-F236 VanDerWaalsContact C-N 3.32Å; G234-F236 PolarHBondContact O-N 3.19Å; F236-I238 VanDerWaalsContact C-N 3.34Å; F236-Q239 PolarHBondContact O-N 2.82Å; F236-R240 WeakPolarHBondContact O-CG 3.37Å; F236-R240 PolarHBondContact O-N 3Å; F236-R240 VanDerWaalsContact O-N 3.09Å |
| 237 | L | 73.5 | Confident | 73.9 | Confident | 63 Ų | 63 | 84 Ų | 84 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 174.5 | -69.5 | 173.2 | 0 | 0 | 0 | 111.9 | I233 G234 T241 H242 L243 | I233-L237 HydrophobicContact CG2-CD1 3.94Å; I233-L237 HydrophobicContact CG2-CG 4.31Å; I233-L237 VanDerWaalsContact O-CG 3.29Å; I233-L237 WeakPolarHBondContact O-CG 3.28Å; I233-L237 PolarHBondContact O-N 3.46Å; G234-L237 PolarHBondContact O-N 3.15Å; L237-T241 PolarHBondContact O-N 2.8Å; L237-H242 HydrophobicContact CB-CB 4.49Å; L237-H242 HydrophobicContact CD2-CB 3.99Å; L237-H242 PolarHBondContact O-N 2.86Å; L237-L243 HydrophobicContact CB-CB 4.04Å; L237-L243 PolarHBondContact O-N 3.05Å |
| 238 | I | 72 | Confident | 73.2 | Confident | 49 Ų | 49 | 82.3 Ų | 82.3 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.4 | -51.5 | 172 | -62.5 | 166.7 | 0 | 0 | 0 | 110.5 | G234 Q235 F236 R240 T241 A248 | G234-I238 VanDerWaalsContact O-CG1 3.32Å; G234-I238 WeakPolarHBondContact O-CG1 3.42Å; G234-I238 PolarHBondContact O-N 2.66Å; Q235-I238 WeakPolarHBondContact O-CB 3.34Å; Q235-I238 PolarHBondContact O-N 2.85Å; F236-I238 VanDerWaalsContact C-N 3.34Å; I238-R240 PolarHBondContact O-N 3.44Å; I238-T241 WeakPolarHBondContact O-CA 3.22Å; I238-T241 PolarHBondContact O-N 3.26Å; I238-A248 HydrophobicContact CD1-CB 3.26Å; I238-A248 HydrophobicContact CG1-CB 3.13Å |
| 239 | Q | 77 | Confident | 72.7 | Confident | 152 Ų | 152 | 83.4 Ų | 83.4 | 71% | 0.71 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.3 | -34.2 | -177.7 | -75.9 | 176.9 | 0.3 | 0 | 0 | 112.2 | Q235 F236 T241 | Q235-Q239 WeakPolarHBondContact O-CG 3.3Å; Q235-Q239 PolarHBondContact O-N 3.49Å; F236-Q239 PolarHBondContact O-N 2.82Å; Q239-T241 VanDerWaalsContact C-N 3.3Å |
| 240 | R | 78.6 | Confident | 72 | Confident | 141 Ų | 141 | 85.5 Ų | 85.5 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 6.2 | 176.2 | -68.3 | -173.4 | 168.5 | -162.9 | -3 | 114.3 | F236 I238 H242 | F236-R240 WeakPolarHBondContact O-CG 3.37Å; F236-R240 PolarHBondContact O-N 3Å; F236-R240 VanDerWaalsContact O-N 3.09Å; I238-R240 PolarHBondContact O-N 3.44Å; R240-H242 WeakPolarHBondContact CB-CD2 3.5Å; R240-H242 PolarHBondContact O-N 3.06Å; R240-H242 VanDerWaalsContact O-N 3.12Å |
| 241 | T | 73.4 | Confident | 71.1 | Confident | 130 Ų | 130 | 84.9 Ų | 84.9 | 80% | 0.798 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 22 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | L237 I238 Q239 | L237-T241 PolarHBondContact O-N 2.8Å; I238-T241 WeakPolarHBondContact O-CA 3.22Å; I238-T241 PolarHBondContact O-N 3.26Å; Q239-T241 VanDerWaalsContact C-N 3.3Å |
| 242 | H | 74.1 | Confident | 70.3 | Confident | 133 Ų | 133 | 84.7 Ų | 84.7 | 62% | 0.616 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -82.6 | -19.5 | 176.9 | -69.8 | -51.9 | 0 | 0 | 0 | 112.9 | L237 R240 | L237-H242 HydrophobicContact CB-CB 4.49Å; L237-H242 HydrophobicContact CD2-CB 3.99Å; L237-H242 PolarHBondContact O-N 2.86Å; R240-H242 WeakPolarHBondContact CB-CD2 3.5Å; R240-H242 PolarHBondContact O-N 3.06Å; R240-H242 VanDerWaalsContact O-N 3.12Å |
| 243 | L | 65.8 | Low | 69.2 | Low | 45 Ų | 45 | 85.3 Ų | 85.3 | 24% | 0.236 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -132 | 132.6 | 175.5 | -162.9 | 66.9 | 0 | 0 | 0 | 108.8 | L237 R247 A248 | L237-L243 HydrophobicContact CB-CB 4.04Å; L237-L243 PolarHBondContact O-N 3.05Å; L243-R247 HydrophobicContact CD1-CB 4.12Å; L243-R247 HydrophobicContact CG-CB 4.22Å; L243-A248 HydrophobicContact CB-CB 4.46Å; L243-A248 HydrophobicContact CD2-CB 3.56Å; L243-A248 HydrophobicContact CG-CB 4.01Å |
| 244 | D | 70.9 | Confident | 68.1 | Low | 67 Ų | 67 | 88.1 Ų | 88.1 | 36% | 0.358 | 42% | 0.423 | S | S | . | . | trans | -67.7 | 149 | 173.9 | 67.3 | 88.8 | 0 | 0 | 0 | 110.5 | R246 R247 A248 | D244-R246 VanDerWaalsContact C-N 3.28Å; D244-R246 PolarHBondContact O-N 2.96Å; D244-R246 PolarHBondContact OD1-N 3.25Å; D244-R247 PolarHBondContact O-N 2.98Å; D244-R247 WeakPolarHBondContact OD1-CG 3.47Å; D244-R247 PolarHBondContact OD1-N 3.49Å; D244-R247 WeakPolarHBondContact OD2-CD 3.44Å; D244-R247 WeakPolarHBondContact OD2-CG 3.33Å; D244-R247 IonicContact OD2-CZ 3.63Å; D244-R247 IonicContact OD2-NE 2.98Å; D244-R247 PolarHBondContact OD2-NE 3.23Å; D244-R247 IonicContact OD2-NH1 3.5Å; D244-R247 PolarHBondContact OD2-NH1 3.05Å; D244-A248 WeakPolarHBondContact O-CB 3.35Å; D244-A248 PolarHBondContact O-N 3Å | ||
| 245 | R | 67.9 | Low | 67.3 | Low | 189 Ų | 189 | 88.8 Ų | 88.8 | 71% | 0.713 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.3 | -39.7 | -172.7 | -170.3 | 172.9 | -178.5 | 166.3 | 0.7 | 112.5 | A248 D249 | R245-A248 PolarHBondContact O-N 3.33Å; R245-D249 WeakPolarHBondContact O-CB 3.46Å; R245-D249 PolarHBondContact O-N 2.81Å |
| 246 | R | 68.7 | Low | 66.3 | Low | 160 Ų | 160 | 91.6 Ų | 91.6 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | -178.8 | -172 | 179.2 | 177.9 | -178.3 | -0.8 | 111.7 | S28 D244 A248 A250 | S28-R246 PolarHBondContact OG-NH2 3.49Å; D244-R246 VanDerWaalsContact C-N 3.28Å; D244-R246 PolarHBondContact O-N 2.96Å; D244-R246 PolarHBondContact OD1-N 3.25Å; R246-A248 VanDerWaalsContact C-N 3.35Å; R246-A250 PolarHBondContact O-N 3.06Å; R246-A250 VanDerWaalsContact O-N 3.15Å |
| 247 | R | 65 | Low | 65 | Low | 138 Ų | 138 | 92.7 Ų | 92.7 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 174.8 | -71.1 | -170.9 | -169.4 | 134.4 | -7.9 | 112.6 | L243 D244 A250 V251 | L243-R247 HydrophobicContact CD1-CB 4.12Å; L243-R247 HydrophobicContact CG-CB 4.22Å; D244-R247 PolarHBondContact O-N 2.98Å; D244-R247 WeakPolarHBondContact OD1-CG 3.47Å; D244-R247 PolarHBondContact OD1-N 3.49Å; D244-R247 WeakPolarHBondContact OD2-CD 3.44Å; D244-R247 WeakPolarHBondContact OD2-CG 3.33Å; D244-R247 IonicContact OD2-CZ 3.63Å; D244-R247 IonicContact OD2-NE 2.98Å; D244-R247 PolarHBondContact OD2-NE 3.23Å; D244-R247 IonicContact OD2-NH1 3.5Å; D244-R247 PolarHBondContact OD2-NH1 3.05Å; R247-A250 WeakPolarHBondContact O-CB 3.35Å; R247-A250 PolarHBondContact O-N 2.89Å; R247-V251 WeakPolarHBondContact O-CG2 3.44Å; R247-V251 PolarHBondContact O-N 3.15Å; R247-V251 VanDerWaalsContact O-N 3.15Å |
| 248 | A | 62.4 | Low | 63.8 | Low | 0 Ų | 0 | 98.9 Ų | 98.9 | 0% | 0 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I238 L243 D244 R245 R246 A250 V251 C252 | I238-A248 HydrophobicContact CD1-CB 3.26Å; I238-A248 HydrophobicContact CG1-CB 3.13Å; L243-A248 HydrophobicContact CB-CB 4.46Å; L243-A248 HydrophobicContact CD2-CB 3.56Å; L243-A248 HydrophobicContact CG-CB 4.01Å; D244-A248 WeakPolarHBondContact O-CB 3.35Å; D244-A248 PolarHBondContact O-N 3Å; R245-A248 PolarHBondContact O-N 3.33Å; R246-A248 VanDerWaalsContact C-N 3.35Å; A248-A250 VanDerWaalsContact C-N 3.28Å; A248-A250 PolarHBondContact O-N 2.73Å; A248-V251 PolarHBondContact O-N 2.66Å; A248-C252 PolarHBondContact O-N 2.86Å; A248-C252 PolarHBondContact O-SG 3.39Å |
| 249 | D | 64.4 | Low | 62.6 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 172.9 | -68.9 | -22.3 | 0 | 0 | 0 | 110.7 | R245 V251 C252 V253 | R245-D249 WeakPolarHBondContact O-CB 3.46Å; R245-D249 PolarHBondContact O-N 2.81Å; D249-V251 PolarHBondContact O-N 3.28Å; D249-C252 PolarHBondContact O-N 3.46Å; D249-V253 WeakPolarHBondContact O-CB 3.46Å; D249-V253 VanDerWaalsContact O-CG2 3.25Å; D249-V253 WeakPolarHBondContact O-CG2 3.35Å; D249-V253 PolarHBondContact O-N 2.77Å |
| 250 | A | 61.8 | Low | 61.9 | Low | 45 Ų | 45 | 99 Ų | 99 | 37% | 0.372 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | R246 R247 A248 C252 L254 | R246-A250 PolarHBondContact O-N 3.06Å; R246-A250 VanDerWaalsContact O-N 3.15Å; R247-A250 WeakPolarHBondContact O-CB 3.35Å; R247-A250 PolarHBondContact O-N 2.89Å; A248-A250 VanDerWaalsContact C-N 3.28Å; A248-A250 PolarHBondContact O-N 2.73Å; A250-C252 VanDerWaalsContact C-N 3.35Å; A250-L254 PolarHBondContact O-N 2.85Å; A250-L254 VanDerWaalsContact O-N 3.14Å |
| 251 | V | 59.4 | Low | 61 | Low | 65 Ų | 65 | 96.7 Ų | 96.7 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | R247 A248 D249 C255 | R247-V251 WeakPolarHBondContact O-CG2 3.44Å; R247-V251 PolarHBondContact O-N 3.15Å; R247-V251 VanDerWaalsContact O-N 3.15Å; A248-V251 PolarHBondContact O-N 2.66Å; D249-V251 PolarHBondContact O-N 3.28Å; V251-C255 PolarHBondContact O-N 2.92Å; V251-C255 PolarHBondContact O-SG 3.08Å |
| 252 | C | 59.9 | Low | 60.3 | Low | 16 Ų | 16 | 94.9 Ų | 94.9 | 11% | 0.108 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 178.6 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | L231 A248 D249 A250 L254 C255 Y256 | L231-C252 VanDerWaalsContact CD2-CA 3.49Å; L231-C252 HydrophobicContact CD2-CB 3.63Å; A248-C252 PolarHBondContact O-N 2.86Å; A248-C252 PolarHBondContact O-SG 3.39Å; D249-C252 PolarHBondContact O-N 3.46Å; A250-C252 VanDerWaalsContact C-N 3.35Å; C252-L254 PolarHBondContact O-N 3.39Å; C252-C255 WeakPolarHBondContact O-CB 3.3Å; C252-C255 PolarHBondContact O-N 2.98Å; C252-C255 VanDerWaalsContact O-N 3.15Å; C252-Y256 WeakPolarHBondContact O-CD2 3.4Å; C252-Y256 PolarHBondContact O-N 3.43Å |
| 253 | V | 56.5 | Low | 59.5 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 178.6 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | D249 C255 Y256 I257 | D249-V253 WeakPolarHBondContact O-CB 3.46Å; D249-V253 VanDerWaalsContact O-CG2 3.25Å; D249-V253 WeakPolarHBondContact O-CG2 3.35Å; D249-V253 PolarHBondContact O-N 2.77Å; V253-C255 VanDerWaalsContact C-N 3.28Å; V253-C255 PolarHBondContact O-N 3.3Å; V253-Y256 PolarHBondContact O-N 2.99Å; V253-I257 HydrophobicContact CG1-CD1 3.7Å; V253-I257 HydrophobicContact CG1-CG1 4.36Å; V253-I257 WeakPolarHBondContact O-CG1 3.21Å; V253-I257 PolarHBondContact O-N 3.2Å |
| 254 | L | 52.9 | Low | 59.1 | Low | 97 Ų | 97 | 95.6 Ų | 95.6 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 173.6 | -80.3 | 164.8 | 0 | 0 | 0 | 111.5 | A250 C252 Y256 I257 Y258 | A250-L254 PolarHBondContact O-N 2.85Å; A250-L254 VanDerWaalsContact O-N 3.14Å; C252-L254 PolarHBondContact O-N 3.39Å; L254-Y256 PolarHBondContact O-N 3.06Å; L254-I257 PolarHBondContact O-N 3.34Å; L254-Y258 HydrophobicContact CD2-CD2 4.37Å; L254-Y258 HydrophobicContact CD2-CE2 3.92Å; L254-Y258 VanDerWaalsContact O-CD2 3.28Å; L254-Y258 WeakPolarHBondContact O-CD2 3.39Å; L254-Y258 PolarHBondContact O-N 3.36Å |
| 255 | C | 55.5 | Low | 58.3 | Low | 16 Ų | 16 | 97.5 Ų | 97.5 | 11% | 0.108 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 178 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | C227 L231 V251 C252 V253 G259 | C227-C255 WeakPolarHBondContact SG-CB 3.18Å; C227-C255 PolarHBondContact SG-O 2.92Å; L231-C255 HydrophobicContact CD2-CB 3.78Å; L231-C255 HydrophobicContact CG-CB 4Å; V251-C255 PolarHBondContact O-N 2.92Å; V251-C255 PolarHBondContact O-SG 3.08Å; C252-C255 WeakPolarHBondContact O-CB 3.3Å; C252-C255 PolarHBondContact O-N 2.98Å; C252-C255 VanDerWaalsContact O-N 3.15Å; V253-C255 VanDerWaalsContact C-N 3.28Å; V253-C255 PolarHBondContact O-N 3.3Å; C255-G259 PolarHBondContact O-N 3.19Å |
| 256 | Y | 54 | Low | 57.6 | Low | 163 Ų | 163 | 91 Ų | 91 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.3 | -30.5 | 176.1 | -83.2 | -71.4 | 0 | 0 | 0 | 114.4 | L231 C252 V253 L254 | L231-Y256 HydrophobicContact CD1-CD2 4.47Å; L231-Y256 HydrophobicContact CD1-CE1 4.38Å; L231-Y256 HydrophobicContact CD1-CE2 3.95Å; L231-Y256 HydrophobicContact CD2-CD2 4.26Å; L231-Y256 HydrophobicContact CD2-CE2 4Å; C252-Y256 WeakPolarHBondContact O-CD2 3.4Å; C252-Y256 PolarHBondContact O-N 3.43Å; V253-Y256 PolarHBondContact O-N 2.99Å; L254-Y256 PolarHBondContact O-N 3.06Å |
| 257 | I | 52 | Low | 56.8 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 60% | 0.6 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -75.7 | -33.5 | 179.5 | -68.2 | 168.3 | 0 | 0 | 0 | 111.5 | V253 L254 | V253-I257 HydrophobicContact CG1-CD1 3.7Å; V253-I257 HydrophobicContact CG1-CG1 4.36Å; V253-I257 WeakPolarHBondContact O-CG1 3.21Å; V253-I257 PolarHBondContact O-N 3.2Å; L254-I257 PolarHBondContact O-N 3.34Å |
| 258 | Y | 47.7 | Very low | 56.1 | Low | 194 Ų | 194 | 81.3 Ų | 81.3 | 76% | 0.761 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -105.8 | -3.5 | -173.3 | -70.4 | -74.8 | 0 | 0 | 0 | 115.2 | L254 | L254-Y258 HydrophobicContact CD2-CD2 4.37Å; L254-Y258 HydrophobicContact CD2-CE2 3.92Å; L254-Y258 VanDerWaalsContact O-CD2 3.28Å; L254-Y258 WeakPolarHBondContact O-CD2 3.39Å; L254-Y258 PolarHBondContact O-N 3.36Å |
| 259 | G | 46.4 | Very low | 55.5 | Low | 103 Ų | 103 | 88.7 Ų | 88.7 | 100% | 1.062 | 50% | 0.497 | S | S | * | . | trans | -97.8 | 0 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C255 | C255-G259 PolarHBondContact O-N 3.19Š|
Retrieved 259 of 259 residues in 172.3 ms
(Link to these results)