| 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 | 62.1 | Low | 78.1 | Confident | 205 Ų | 205 | 97.7 Ų | 97.7 | 100% | 1.01 | 56% | 0.558 | S | S | * | * | 0 | -51 | 0 | -65.4 | -167.3 | -151.2 | 0 | 0 | 112 | T3 V4 A5 | M1-T3 PolarHBondContact O-N 2.94Å; M1-V4 PolarHBondContact O-N 3.44Å; M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.15Å | |||
| 2 | A | 67.3 | Low | 79.4 | Confident | 73 Ų | 73 | 93.7 Ų | 93.7 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.7 | -41.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V4 A5 M6 | A2-V4 PolarHBondContact O-N 3.15Å; A2-A5 PolarHBondContact O-N 3.27Å; A2-M6 WeakPolarHBondContact O-CB 3.31Å; A2-M6 VanDerWaalsContact O-CG 3.31Å; A2-M6 WeakPolarHBondContact O-CG 3.47Å; A2-M6 PolarHBondContact O-N 3.33Å |
| 3 | T | 70.4 | Confident | 80.5 | Confident | 103 Ų | 103 | 95.3 Ų | 95.3 | 63% | 0.632 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 179 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | M1 T7 | M1-T3 PolarHBondContact O-N 2.94Å; T3-T7 PolarHBondContact O-N 3.39Å; T3-T7 VanDerWaalsContact O-N 3.1Å; T3-T7 PolarHBondContact O-OG1 3.27Å |
| 4 | V | 72.8 | Confident | 81.6 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -48.1 | 177.3 | 179 | 0 | 0 | 0 | 0 | 110.3 | M1 A2 M6 T7 E8 | M1-V4 PolarHBondContact O-N 3.44Å; A2-V4 PolarHBondContact O-N 3.15Å; V4-M6 VanDerWaalsContact C-N 3.34Å; V4-M6 PolarHBondContact O-N 3.1Å; V4-T7 WeakPolarHBondContact O-CB 3.5Å; V4-T7 PolarHBondContact O-N 3Å; V4-E8 WeakPolarHBondContact O-CG 3.42Å; V4-E8 PolarHBondContact O-N 2.73Å |
| 5 | A | 72.5 | Confident | 82.5 | Confident | 44 Ų | 44 | 91 Ų | 91 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 A2 T7 E8 M9 | M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.15Å; A2-A5 PolarHBondContact O-N 3.27Å; A5-T7 VanDerWaalsContact C-N 3.29Å; A5-T7 PolarHBondContact O-N 3.39Å; A5-E8 PolarHBondContact O-N 3.43Å; A5-M9 WeakPolarHBondContact O-CG 3.38Å; A5-M9 PolarHBondContact O-N 3.06Å |
| 6 | M | 72.4 | Confident | 83.4 | Confident | 130 Ų | 130 | 87.1 Ų | 87.1 | 64% | 0.64 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -36.1 | 173.8 | -74.7 | -177.8 | 71.2 | 0 | 0 | 112.3 | A2 V4 A10 | A2-M6 WeakPolarHBondContact O-CB 3.31Å; A2-M6 VanDerWaalsContact O-CG 3.31Å; A2-M6 WeakPolarHBondContact O-CG 3.47Å; A2-M6 PolarHBondContact O-N 3.33Å; V4-M6 VanDerWaalsContact C-N 3.34Å; V4-M6 PolarHBondContact O-N 3.1Å; M6-A10 WeakPolarHBondContact O-CB 3.41Å; M6-A10 PolarHBondContact O-N 3.1Å; M6-A10 VanDerWaalsContact O-N 3.1Å |
| 7 | T | 85.8 | Confident | 84.2 | Confident | 74 Ų | 74 | 85.8 Ų | 85.8 | 45% | 0.454 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 177.7 | -51 | 0 | 0 | 0 | 0 | 110.7 | T3 V4 A5 A10 M11 | T3-T7 PolarHBondContact O-N 3.39Å; T3-T7 VanDerWaalsContact O-N 3.1Å; T3-T7 PolarHBondContact O-OG1 3.27Å; V4-T7 WeakPolarHBondContact O-CB 3.5Å; V4-T7 PolarHBondContact O-N 3Å; A5-T7 VanDerWaalsContact C-N 3.29Å; A5-T7 PolarHBondContact O-N 3.39Å; T7-A10 PolarHBondContact O-N 2.94Å; T7-M11 HydrophobicContact CG2-CE 3.6Å; T7-M11 VanDerWaalsContact O-CG 3.31Å; T7-M11 WeakPolarHBondContact O-CG 3.49Å; T7-M11 PolarHBondContact O-N 2.96Å |
| 8 | E | 85.1 | Confident | 85 | Confident | 93 Ų | 93 | 84.6 Ų | 84.6 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.8 | -70.6 | 171.7 | 174 | 0 | 0 | 112.2 | V4 A5 A10 M11 L12 V159 | V4-E8 WeakPolarHBondContact O-CG 3.42Å; V4-E8 PolarHBondContact O-N 2.73Å; A5-E8 PolarHBondContact O-N 3.43Å; E8-A10 PolarHBondContact O-N 2.94Å; E8-M11 PolarHBondContact O-N 3.28Å; E8-L12 PolarHBondContact O-N 3.47Å; E8-V159 HydrophobicContact CB-CG1 4.25Å; E8-V159 VanDerWaalsContact O-CG1 3.23Å; E8-V159 WeakPolarHBondContact O-CG1 3.31Å |
| 9 | M | 87.4 | Confident | 85.6 | Confident | 126 Ų | 126 | 80.2 Ų | 80.2 | 62% | 0.621 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 176.2 | -70.7 | -169.1 | -51.8 | 0 | 0 | 112 | A5 M11 L12 E13 | A5-M9 WeakPolarHBondContact O-CG 3.38Å; A5-M9 PolarHBondContact O-N 3.06Å; M9-M11 VanDerWaalsContact C-N 3.33Å; M9-M11 PolarHBondContact O-N 2.97Å; M9-L12 PolarHBondContact O-N 2.92Å; M9-E13 WeakPolarHBondContact O-CB 3.46Å; M9-E13 PolarHBondContact O-N 3.49Å |
| 10 | A | 91 | Very high | 86.2 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | M6 T7 E8 N14 | M6-A10 WeakPolarHBondContact O-CB 3.41Å; M6-A10 PolarHBondContact O-N 3.1Å; M6-A10 VanDerWaalsContact O-N 3.1Å; T7-A10 PolarHBondContact O-N 2.94Å; E8-A10 PolarHBondContact O-N 2.94Å; A10-N14 WeakPolarHBondContact O-CB 3.46Å; A10-N14 PolarHBondContact O-N 3.36Å; A10-N14 PolarHBondContact O-ND2 2.96Å |
| 11 | M | 92.8 | Very high | 86.8 | Confident | 95 Ų | 95 | 79.4 Ų | 79.4 | 47% | 0.468 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.4 | -71.8 | -171.2 | -164.3 | 0 | 0 | 111.9 | T7 E8 M9 N14 V15 V159 | T7-M11 HydrophobicContact CG2-CE 3.6Å; T7-M11 VanDerWaalsContact O-CG 3.31Å; T7-M11 WeakPolarHBondContact O-CG 3.49Å; T7-M11 PolarHBondContact O-N 2.96Å; E8-M11 PolarHBondContact O-N 3.28Å; M9-M11 VanDerWaalsContact C-N 3.33Å; M9-M11 PolarHBondContact O-N 2.97Å; M11-N14 PolarHBondContact O-N 3.21Å; M11-V15 WeakPolarHBondContact O-CG2 3.23Å; M11-V15 PolarHBondContact O-N 3.31Å; M11-V15 VanDerWaalsContact O-N 3.13Å; M11-V159 HydrophobicContact CB-CG1 3.79Å; M11-V159 HydrophobicContact CB-CG2 3.96Å; M11-V159 HydrophobicContact SD-CG2 4.45Å |
| 12 | L | 93.5 | Very high | 88.5 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 178.5 | -172.7 | 65.5 | 0 | 0 | 0 | 111.6 | E8 M9 V15 Y16 M156 V159 L160 | E8-L12 PolarHBondContact O-N 3.47Å; M9-L12 PolarHBondContact O-N 2.92Å; L12-V15 PolarHBondContact O-N 3.13Å; L12-Y16 PolarHBondContact O-N 3.17Å; L12-M156 HydrophobicContact CD1-CB 4.11Å; L12-M156 HydrophobicContact CD1-CE 3.74Å; L12-M156 HydrophobicContact CD1-CG 4.24Å; L12-M156 HydrophobicContact CG-CE 4.39Å; L12-V159 HydrophobicContact CB-CG1 4.29Å; L12-L160 HydrophobicContact CD1-CD2 4.21Å; L12-L160 HydrophobicContact CD1-CG 4.21Å; L12-L160 HydrophobicContact CD2-CD2 3.94Å |
| 13 | E | 93.9 | Very high | 89.9 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176 | -171.7 | 58.6 | -152.8 | 0 | 0 | 111.4 | M9 V15 Y16 E17 | M9-E13 WeakPolarHBondContact O-CB 3.46Å; M9-E13 PolarHBondContact O-N 3.49Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 2.99Å; E13-Y16 PolarHBondContact O-N 3.35Å; E13-E17 WeakPolarHBondContact O-CB 3.4Å; E13-E17 PolarHBondContact O-N 2.85Å |
| 14 | N | 95 | Very high | 91.3 | Very high | 111 Ų | 111 | 68.9 Ų | 68.9 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | 175.8 | -71.6 | -24.4 | 0 | 0 | 0 | 112.2 | A10 M11 E18 | A10-N14 WeakPolarHBondContact O-CB 3.46Å; A10-N14 PolarHBondContact O-N 3.36Å; A10-N14 PolarHBondContact O-ND2 2.96Å; M11-N14 PolarHBondContact O-N 3.21Å; N14-E18 WeakPolarHBondContact O-CB 3.2Å; N14-E18 PolarHBondContact O-N 3.36Å |
| 15 | V | 95.9 | Very high | 92.4 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.3 | -39 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | M11 L12 E13 E18 I19 L152 Q155 M156 | M11-V15 WeakPolarHBondContact O-CG2 3.23Å; M11-V15 PolarHBondContact O-N 3.31Å; M11-V15 VanDerWaalsContact O-N 3.13Å; L12-V15 PolarHBondContact O-N 3.13Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 2.99Å; V15-E18 PolarHBondContact O-N 3.22Å; V15-I19 HydrophobicContact CG1-CD1 4.48Å; V15-I19 WeakPolarHBondContact O-CG1 3.4Å; V15-I19 PolarHBondContact O-N 3.16Å; V15-L152 WeakPolarHBondContact CG1-O 3.44Å; V15-Q155 HydrophobicContact CG1-CB 4.13Å; V15-Q155 HydrophobicContact CG2-CB 4.2Å; V15-M156 HydrophobicContact CB-CG 3.95Å; V15-M156 HydrophobicContact CG1-CB 4.45Å; V15-M156 HydrophobicContact CG1-CG 3.3Å; V15-M156 HydrophobicContact CG1-SD 4.38Å |
| 16 | Y | 97.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 174.4 | -173 | -85.5 | 0 | 0 | 0 | 111.3 | L12 E13 E18 I19 R20 L73 L77 I79 M156 | L12-Y16 PolarHBondContact O-N 3.17Å; E13-Y16 PolarHBondContact O-N 3.35Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 3.45Å; Y16-I19 WeakPolarHBondContact O-CB 3.34Å; Y16-I19 PolarHBondContact O-N 3.19Å; Y16-I19 VanDerWaalsContact O-N 3.14Å; Y16-R20 PolarHBondContact O-N 3.39Å; Y16-L73 HydrophobicContact CE2-CD2 4.07Å; Y16-L73 PolarHBondContact OH-O 3.28Å; Y16-L77 WeakPolarHBondContact CE2-O 3.28Å; Y16-L77 PolarHBondContact OH-O 3.01Å; Y16-I79 HydrophobicContact CD2-CB 4.43Å; Y16-I79 HydrophobicContact CE2-CB 4.41Å; Y16-M156 HydrophobicContact CD2-CE 4.23Å |
| 17 | E | 96.8 | Very high | 94.9 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 177.9 | -174.6 | 59.1 | -169.2 | 0 | 0 | 111.8 | E13 I19 R20 V21 | E13-E17 WeakPolarHBondContact O-CB 3.4Å; E13-E17 PolarHBondContact O-N 2.85Å; E17-I19 VanDerWaalsContact C-N 3.33Å; E17-I19 PolarHBondContact O-N 2.69Å; E17-R20 PolarHBondContact O-N 2.88Å; E17-R20 IonicContact OE1-CZ 3.47Å; E17-R20 IonicContact OE1-NE 3.94Å; E17-R20 PolarHBondContact OE1-NE 3.07Å; E17-R20 IonicContact OE1-NH2 2.67Å; E17-R20 PolarHBondContact OE1-NH2 3.02Å; E17-R20 IonicContact OE2-CZ 3.52Å; E17-R20 IonicContact OE2-NE 3.45Å; E17-R20 PolarHBondContact OE2-NE 3.44Å; E17-R20 IonicContact OE2-NH2 3.44Å; E17-R20 PolarHBondContact OE2-NH2 3.33Å; E17-V21 HydrophobicContact CG-CG2 4.14Å; E17-V21 WeakPolarHBondContact O-CB 3.36Å; E17-V21 VanDerWaalsContact O-CG2 3.32Å; E17-V21 WeakPolarHBondContact O-CG2 3.44Å; E17-V21 PolarHBondContact O-N 3.13Å; E17-V21 VanDerWaalsContact OE1-CG2 3.31Å; E17-V21 WeakPolarHBondContact OE1-CG2 3.42Å |
| 18 | E | 97.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 171.9 | -172.3 | -177.9 | 166.7 | 0 | 0 | 111.9 | N14 V15 Y16 S22 R148 L152 | N14-E18 WeakPolarHBondContact O-CB 3.2Å; N14-E18 PolarHBondContact O-N 3.36Å; V15-E18 PolarHBondContact O-N 3.22Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 3.45Å; E18-S22 WeakPolarHBondContact O-CB 3.43Å; E18-S22 PolarHBondContact O-N 3.22Å; E18-S22 PolarHBondContact O-OG 3Å; E18-R148 IonicContact OE1-CZ 2.63Å; E18-R148 IonicContact OE1-NH1 3.2Å; E18-R148 PolarHBondContact OE1-NH1 2.69Å; E18-R148 IonicContact OE1-NH2 2.75Å; E18-R148 PolarHBondContact OE1-NH2 3.11Å; E18-L152 HydrophobicContact CB-CD2 4.24Å; E18-L152 HydrophobicContact CG-CD2 3.67Å; E18-L152 VanDerWaalsContact OE1-CD2 3.31Å; E18-L152 WeakPolarHBondContact OE1-CD2 3.21Å |
| 19 | I | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -49.1 | 173.8 | -66.4 | 164.7 | 0 | 0 | 0 | 110 | V15 Y16 E17 S22 E23 L73 I79 L152 M156 | V15-I19 HydrophobicContact CG1-CD1 4.48Å; V15-I19 WeakPolarHBondContact O-CG1 3.4Å; V15-I19 PolarHBondContact O-N 3.16Å; Y16-I19 WeakPolarHBondContact O-CB 3.34Å; Y16-I19 PolarHBondContact O-N 3.19Å; Y16-I19 VanDerWaalsContact O-N 3.14Å; E17-I19 VanDerWaalsContact C-N 3.33Å; E17-I19 PolarHBondContact O-N 2.69Å; I19-S22 PolarHBondContact O-OG 3.14Å; I19-S22 VanDerWaalsContact O-OG 3.08Å; I19-E23 WeakPolarHBondContact O-CB 3.32Å; I19-E23 PolarHBondContact O-N 3.48Å; I19-L73 HydrophobicContact CG2-CD1 3.93Å; I19-L73 HydrophobicContact CG2-CD2 4.42Å; I19-I79 HydrophobicContact CD1-CD1 3.8Å; I19-I79 HydrophobicContact CD1-CG1 4.27Å; I19-I79 HydrophobicContact CG2-CD1 4.21Å; I19-L152 HydrophobicContact CB-CD1 4.46Å; I19-L152 HydrophobicContact CD1-CB 4.08Å; I19-L152 HydrophobicContact CG1-CB 3.67Å; I19-L152 HydrophobicContact CG1-CD1 3.73Å; I19-L152 HydrophobicContact CG1-CD2 4.32Å; I19-L152 HydrophobicContact CG1-CG 4.11Å; I19-M156 HydrophobicContact CD1-SD 3.71Å |
| 20 | R | 97.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -50.2 | -177.6 | -166.2 | -173.1 | 75.3 | 88.4 | 0.5 | 112.8 | Y16 E17 E23 R24 Y70 L73 N74 | Y16-R20 PolarHBondContact O-N 3.39Å; E17-R20 PolarHBondContact O-N 2.88Å; E17-R20 IonicContact OE1-CZ 3.47Å; E17-R20 IonicContact OE1-NE 3.94Å; E17-R20 PolarHBondContact OE1-NE 3.07Å; E17-R20 IonicContact OE1-NH2 2.67Å; E17-R20 PolarHBondContact OE1-NH2 3.02Å; E17-R20 IonicContact OE2-CZ 3.52Å; E17-R20 IonicContact OE2-NE 3.45Å; E17-R20 PolarHBondContact OE2-NE 3.44Å; E17-R20 IonicContact OE2-NH2 3.44Å; E17-R20 PolarHBondContact OE2-NH2 3.33Å; R20-E23 WeakPolarHBondContact O-CB 3.31Å; R20-E23 PolarHBondContact O-N 2.67Å; R20-R24 PolarHBondContact O-N 3.19Å; R20-Y70 HydrophobicContact CG-CE2 4.29Å; R20-L73 HydrophobicContact CB-CB 4.46Å; R20-L73 HydrophobicContact CG-CB 4.03Å; R20-N74 WeakPolarHBondContact CD-OD1 3.4Å; R20-N74 PolarHBondContact NH1-OD1 3.45Å |
| 21 | V | 97.7 | Very high | 96.9 | Very high | 78 Ų | 78 | 51 Ų | 51 | 47% | 0.473 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | E17 E23 R24 S25 | E17-V21 HydrophobicContact CG-CG2 4.14Å; E17-V21 WeakPolarHBondContact O-CB 3.36Å; E17-V21 VanDerWaalsContact O-CG2 3.32Å; E17-V21 WeakPolarHBondContact O-CG2 3.44Å; E17-V21 PolarHBondContact O-N 3.13Å; E17-V21 VanDerWaalsContact OE1-CG2 3.31Å; E17-V21 WeakPolarHBondContact OE1-CG2 3.42Å; V21-E23 VanDerWaalsContact C-N 3.29Å; V21-E23 PolarHBondContact O-N 3.27Å; V21-R24 WeakPolarHBondContact O-CB 3.39Å; V21-R24 PolarHBondContact O-N 2.92Å; V21-S25 PolarHBondContact O-N 3.46Å; V21-S25 VanDerWaalsContact O-N 3.09Å |
| 22 | S | 97.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 16% | 0.161 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -28.9 | 177.3 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | E18 I19 Y26 R145 | E18-S22 WeakPolarHBondContact O-CB 3.43Å; E18-S22 PolarHBondContact O-N 3.22Å; E18-S22 PolarHBondContact O-OG 3Å; I19-S22 PolarHBondContact O-OG 3.14Å; I19-S22 VanDerWaalsContact O-OG 3.08Å; S22-Y26 WeakPolarHBondContact O-CB 3.39Å; S22-Y26 PolarHBondContact O-N 3.47Å; S22-R145 PolarHBondContact O-NH1 3.43Å; S22-R145 PolarHBondContact OG-NH1 2.75Å; S22-R145 PolarHBondContact OG-NH2 3.45Å |
| 23 | E | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 173.2 | -171.8 | 68.3 | -164.6 | 0 | 0 | 111.1 | I19 R20 V21 S25 Y26 L27 N66 Y70 L73 R145 Y149 | I19-E23 WeakPolarHBondContact O-CB 3.32Å; I19-E23 PolarHBondContact O-N 3.48Å; R20-E23 WeakPolarHBondContact O-CB 3.31Å; R20-E23 PolarHBondContact O-N 2.67Å; V21-E23 VanDerWaalsContact C-N 3.29Å; V21-E23 PolarHBondContact O-N 3.27Å; E23-S25 PolarHBondContact O-N 3.15Å; E23-Y26 WeakPolarHBondContact O-CB 3.41Å; E23-Y26 PolarHBondContact O-N 3.34Å; E23-L27 PolarHBondContact O-N 3.05Å; E23-N66 WeakPolarHBondContact OE1-CA 3.16Å; E23-N66 WeakPolarHBondContact OE1-CB 3.43Å; E23-N66 PolarHBondContact OE1-ND2 3.32Å; E23-Y70 HydrophobicContact CB-CD2 4.17Å; E23-Y70 HydrophobicContact CG-CD2 4.11Å; E23-Y70 HydrophobicContact CG-CG 4.41Å; E23-L73 HydrophobicContact CB-CD1 4.35Å; E23-L73 HydrophobicContact CG-CD1 4.45Å; E23-R145 VanDerWaalsContact N-NH2 3.18Å; E23-R145 IonicContact OE2-CZ 2.94Å; E23-R145 VanDerWaalsContact OE2-CZ 3.22Å; E23-R145 IonicContact OE2-NE 3.22Å; E23-R145 PolarHBondContact OE2-NE 3.36Å; E23-R145 VanDerWaalsContact OE2-NE 3.1Å; E23-R145 IonicContact OE2-NH2 3.1Å; E23-R145 PolarHBondContact OE2-NH2 3.31Å; E23-Y149 PolarHBondContact OE1-OH 3.45Å; E23-Y149 PolarHBondContact OE2-OH 3.27Å |
| 24 | R | 98.1 | Very high | 97.6 | Very high | 138 Ų | 138 | 40 Ų | 40 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.5 | -50.4 | 173.8 | -169.6 | -177.4 | -178.9 | -145.1 | -1 | 111.7 | R20 V21 Y26 L27 E28 Y70 | R20-R24 PolarHBondContact O-N 3.19Å; V21-R24 WeakPolarHBondContact O-CB 3.39Å; V21-R24 PolarHBondContact O-N 2.92Å; R24-Y26 VanDerWaalsContact C-N 3.26Å; R24-Y26 PolarHBondContact O-N 3.11Å; R24-L27 PolarHBondContact O-N 2.97Å; R24-E28 PolarHBondContact O-N 3.44Å; R24-Y70 HydrophobicContact CB-CD2 4.32Å; R24-Y70 HydrophobicContact CB-CE2 3.59Å; R24-Y70 WeakPolarHBondContact CD-OH 3.41Å; R24-Y70 HydrophobicContact CG-CE2 4.13Å |
| 25 | S | 97.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 43 Ų | 43 | 36% | 0.357 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | V21 E23 E28 H29 | V21-S25 PolarHBondContact O-N 3.46Å; V21-S25 VanDerWaalsContact O-N 3.09Å; E23-S25 PolarHBondContact O-N 3.15Å; S25-E28 WeakPolarHBondContact O-CB 3.41Å; S25-E28 PolarHBondContact O-N 2.69Å; S25-H29 PolarHBondContact O-N 2.83Å; S25-H29 VanDerWaalsContact O-N 3.13Å; S25-H29 PolarHBondContact O-ND1 3.39Å |
| 26 | Y | 98.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.1 | 176.8 | -121.5 | 0 | 0 | 0 | 112.2 | S22 E23 R24 E28 H29 L30 I62 N66 Y93 P142 R145 | S22-Y26 WeakPolarHBondContact O-CB 3.39Å; S22-Y26 PolarHBondContact O-N 3.47Å; E23-Y26 WeakPolarHBondContact O-CB 3.41Å; E23-Y26 PolarHBondContact O-N 3.34Å; R24-Y26 VanDerWaalsContact C-N 3.26Å; R24-Y26 PolarHBondContact O-N 3.11Å; Y26-E28 VanDerWaalsContact C-N 3.34Å; Y26-E28 PolarHBondContact O-N 3.29Å; Y26-H29 WeakPolarHBondContact O-CB 3.46Å; Y26-H29 PolarHBondContact O-N 3.37Å; Y26-H29 VanDerWaalsContact O-N 3.14Å; Y26-L30 HydrophobicContact CD1-CD1 4.31Å; Y26-L30 HydrophobicContact CD2-CG 4.5Å; Y26-L30 HydrophobicContact CE1-CD1 3.69Å; Y26-L30 HydrophobicContact CE1-CG 4.28Å; Y26-L30 HydrophobicContact CE2-CD1 4.31Å; Y26-L30 HydrophobicContact CE2-CD2 3.84Å; Y26-L30 HydrophobicContact CE2-CG 4.05Å; Y26-L30 WeakPolarHBondContact O-CG 3.46Å; Y26-L30 PolarHBondContact O-N 3.13Å; Y26-I62 VanDerWaalsContact OH-CG2 3.29Å; Y26-I62 WeakPolarHBondContact OH-CG2 3.27Å; Y26-N66 HydrophobicContact CD1-CB 4.46Å; Y26-N66 HydrophobicContact CE1-CB 4.24Å; Y26-Y93 WeakPolarHBondContact CE1-OH 3.48Å; Y26-Y93 WeakPolarHBondContact OH-CE1 3.48Å; Y26-Y93 PolarHBondContact OH-OH 2.91Å; Y26-P142 WeakPolarHBondContact OH-CA 3.44Å; Y26-P142 WeakPolarHBondContact OH-CB 3.19Å; Y26-R145 HydrophobicContact CD1-CG 3.83Å; Y26-R145 HydrophobicContact CD2-CB 4.48Å; Y26-R145 HydrophobicContact CD2-CG 4.4Å; Y26-R145 HydrophobicContact CE1-CB 4.25Å; Y26-R145 HydrophobicContact CE1-CG 3.74Å; Y26-R145 HydrophobicContact CE2-CB 4.11Å; Y26-R145 HydrophobicContact CE2-CG 4.33Å; Y26-R145 HydrophobicContact CG-CG 4.16Å |
| 27 | L | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.8 | -75.1 | 170.3 | 0 | 0 | 0 | 112.2 | E23 R24 H29 L30 D31 R63 N66 Q67 Y70 | E23-L27 PolarHBondContact O-N 3.05Å; R24-L27 PolarHBondContact O-N 2.97Å; L27-H29 VanDerWaalsContact C-N 3.28Å; L27-H29 PolarHBondContact O-N 3.12Å; L27-L30 PolarHBondContact O-N 2.71Å; L27-L30 VanDerWaalsContact O-N 3.11Å; L27-D31 PolarHBondContact O-N 3.09Å; L27-R63 HydrophobicContact CD2-CG 4.23Å; L27-N66 HydrophobicContact CD2-CB 3.75Å; L27-N66 HydrophobicContact CG-CB 4.48Å; L27-Q67 HydrophobicContact CD2-CB 4.46Å; L27-Y70 HydrophobicContact CD1-CD1 4.01Å; L27-Y70 HydrophobicContact CD1-CD2 4.5Å; L27-Y70 HydrophobicContact CD1-CG 3.76Å |
| 28 | E | 97.7 | Very high | 97.8 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 27% | 0.271 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56 | -43.2 | 173.3 | -73.4 | -179.1 | -165.4 | 0 | 0 | 111.5 | R24 S25 Y26 D31 M32 K131 | R24-E28 PolarHBondContact O-N 3.44Å; S25-E28 WeakPolarHBondContact O-CB 3.41Å; S25-E28 PolarHBondContact O-N 2.69Å; Y26-E28 VanDerWaalsContact C-N 3.34Å; Y26-E28 PolarHBondContact O-N 3.29Å; E28-D31 PolarHBondContact O-N 3.42Å; E28-M32 HydrophobicContact CB-CE 4.49Å; E28-M32 VanDerWaalsContact O-CG 3.27Å; E28-M32 WeakPolarHBondContact O-CG 3.11Å; E28-M32 PolarHBondContact O-N 2.91Å; E28-K131 IonicContact OE2-NZ 2.95Å; E28-K131 PolarHBondContact OE2-NZ 2.7Å |
| 29 | H | 98 | Very high | 97.7 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.3 | -63.7 | 155.6 | 0 | 0 | 0 | 112.4 | S25 Y26 L27 M32 I33 L138 T141 | S25-H29 PolarHBondContact O-N 2.83Å; S25-H29 VanDerWaalsContact O-N 3.13Å; S25-H29 PolarHBondContact O-ND1 3.39Å; Y26-H29 WeakPolarHBondContact O-CB 3.46Å; Y26-H29 PolarHBondContact O-N 3.37Å; Y26-H29 VanDerWaalsContact O-N 3.14Å; L27-H29 VanDerWaalsContact C-N 3.28Å; L27-H29 PolarHBondContact O-N 3.12Å; H29-M32 PolarHBondContact O-N 3.35Å; H29-I33 WeakPolarHBondContact O-CG1 3.47Å; H29-I33 PolarHBondContact O-N 3.09Å; H29-I33 VanDerWaalsContact O-N 3.09Å; H29-L138 HydrophobicContact CB-CD2 3.83Å; H29-T141 HydrophobicContact CB-CG2 4.45Å |
| 30 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 176.3 | -61.3 | -175.9 | 0 | 0 | 0 | 111.7 | Y26 L27 M32 I33 L34 I59 I62 R63 P142 | Y26-L30 HydrophobicContact CD1-CD1 4.31Å; Y26-L30 HydrophobicContact CD2-CG 4.5Å; Y26-L30 HydrophobicContact CE1-CD1 3.69Å; Y26-L30 HydrophobicContact CE1-CG 4.28Å; Y26-L30 HydrophobicContact CE2-CD1 4.31Å; Y26-L30 HydrophobicContact CE2-CD2 3.84Å; Y26-L30 HydrophobicContact CE2-CG 4.05Å; Y26-L30 WeakPolarHBondContact O-CG 3.46Å; Y26-L30 PolarHBondContact O-N 3.13Å; L27-L30 PolarHBondContact O-N 2.71Å; L27-L30 VanDerWaalsContact O-N 3.11Å; L30-M32 VanDerWaalsContact C-N 3.34Å; L30-I33 HydrophobicContact CD2-CD1 4.34Å; L30-I33 PolarHBondContact O-N 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 2.83Å; L30-L34 VanDerWaalsContact O-N 3.07Å; L30-I59 HydrophobicContact CD2-CG2 4.19Å; L30-I62 HydrophobicContact CD1-CG2 4.06Å; L30-R63 HydrophobicContact CB-CB 4.21Å; L30-R63 HydrophobicContact CB-CG 4.33Å; L30-R63 HydrophobicContact CD1-CB 3.83Å; L30-R63 HydrophobicContact CD1-CG 4.43Å; L30-P142 HydrophobicContact CD2-CG 4.09Å |
| 31 | D | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -41 | 174.4 | -79.9 | -32 | 0 | 0 | 0 | 111.7 | L27 E28 I33 L34 R35 R63 | L27-D31 PolarHBondContact O-N 3.09Å; E28-D31 PolarHBondContact O-N 3.42Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 3.43Å; D31-L34 PolarHBondContact O-N 3.14Å; D31-R35 WeakPolarHBondContact O-CB 3.39Å; D31-R35 PolarHBondContact O-N 3.32Å; D31-R63 IonicContact OD1-CZ 3.8Å; D31-R63 VanDerWaalsContact OD1-CZ 3.29Å; D31-R63 IonicContact OD1-NE 2.78Å; D31-R63 PolarHBondContact OD1-NE 3.13Å; D31-R63 IonicContact OD1-NH2 3.82Å; D31-R63 PolarHBondContact OD1-NH2 2.63Å; D31-R63 IonicContact OD2-NH2 2.7Å |
| 32 | M | 97.9 | Very high | 97.5 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.069 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 175.1 | -72.6 | 174.2 | -164.3 | 0 | 0 | 111.7 | E28 H29 L30 L34 Y36 A129 L130 K131 L133 L138 | E28-M32 HydrophobicContact CB-CE 4.49Å; E28-M32 VanDerWaalsContact O-CG 3.27Å; E28-M32 WeakPolarHBondContact O-CG 3.11Å; E28-M32 PolarHBondContact O-N 2.91Å; H29-M32 PolarHBondContact O-N 3.35Å; L30-M32 VanDerWaalsContact C-N 3.34Å; M32-L34 PolarHBondContact O-N 2.99Å; M32-Y36 HydrophobicContact CB-CD2 4.37Å; M32-Y36 WeakPolarHBondContact O-CB 3.43Å; M32-Y36 PolarHBondContact O-N 3.04Å; M32-Y36 VanDerWaalsContact O-N 3.11Å; M32-A129 VanDerWaalsContact CE-O 3.26Å; M32-A129 WeakPolarHBondContact CE-O 3.42Å; M32-L130 HydrophobicContact CB-CD1 4.07Å; M32-L130 HydrophobicContact CG-CD1 4.35Å; M32-L130 HydrophobicContact SD-CD1 4.18Å; M32-K131 HydrophobicContact CE-CD 4.32Å; M32-L133 HydrophobicContact SD-CD1 4.45Å; M32-L138 HydrophobicContact CB-CD1 4.08Å; M32-L138 HydrophobicContact SD-CD2 4.34Å |
| 33 | I | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 177.4 | -63.9 | 164.8 | 0 | 0 | 0 | 110.7 | H29 L30 D31 F37 A38 F56 I59 L138 L139 | H29-I33 WeakPolarHBondContact O-CG1 3.47Å; H29-I33 PolarHBondContact O-N 3.09Å; H29-I33 VanDerWaalsContact O-N 3.09Å; L30-I33 HydrophobicContact CD2-CD1 4.34Å; L30-I33 PolarHBondContact O-N 3.3Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 3.43Å; I33-F37 WeakPolarHBondContact O-CB 3.26Å; I33-F37 PolarHBondContact O-N 3.25Å; I33-A38 PolarHBondContact O-N 2.82Å; I33-F56 HydrophobicContact CG2-CD1 3.48Å; I33-F56 VanDerWaalsContact CG2-CD1 3.48Å; I33-F56 HydrophobicContact CG2-CE1 3.75Å; I33-I59 HydrophobicContact CD1-CD1 4.07Å; I33-I59 HydrophobicContact CG2-CD1 3.74Å; I33-L138 HydrophobicContact CD1-CB 3.88Å; I33-L138 HydrophobicContact CG1-CB 3.57Å; I33-L138 HydrophobicContact CG1-CD1 4.17Å; I33-L138 HydrophobicContact CG1-CG 4.4Å; I33-L139 HydrophobicContact CD1-CD2 4.49Å; I33-L139 HydrophobicContact CG2-CD2 4.25Å |
| 34 | L | 97.8 | Very high | 97 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -67.2 | -53.8 | -177.3 | -66.4 | 176.6 | 0 | 0 | 0 | 111.5 | L30 D31 M32 A38 D39 I59 R60 R63 | L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 2.83Å; L30-L34 VanDerWaalsContact O-N 3.07Å; D31-L34 PolarHBondContact O-N 3.14Å; M32-L34 PolarHBondContact O-N 2.99Å; L34-A38 HydrophobicContact CD2-CB 4.16Å; L34-A38 PolarHBondContact O-N 2.95Å; L34-D39 WeakPolarHBondContact O-CB 3.31Å; L34-D39 PolarHBondContact O-N 2.81Å; L34-I59 HydrophobicContact CD2-CB 4.5Å; L34-I59 HydrophobicContact CD2-CG2 3.94Å; L34-I59 HydrophobicContact CG-CG2 4.11Å; L34-R60 HydrophobicContact CD1-CG 3.99Å; L34-R60 HydrophobicContact CD2-CG 3.53Å; L34-R60 HydrophobicContact CG-CG 4.43Å; L34-R63 VanDerWaalsContact CD1-CD 3.48Å |
| 35 | R | 97.3 | Very high | 96.4 | Very high | 174 Ų | 174 | 44.6 Ų | 44.6 | 66% | 0.657 | 23% | 0.229 | S | C | * | . | I | π-helix | trans | -69.7 | -39.9 | -170.3 | -174 | 174.6 | -176.4 | 159.6 | 0.1 | 113.8 | D31 P40 | D31-R35 WeakPolarHBondContact O-CB 3.39Å; D31-R35 PolarHBondContact O-N 3.32Å; R35-P40 WeakPolarHBondContact O-CD 3.33Å; R35-P40 VanDerWaalsContact O-CG 3.28Å; R35-P40 WeakPolarHBondContact O-CG 3.45Å |
| 36 | Y | 97.5 | Very high | 96.2 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -100.8 | -15.3 | -173 | -61.9 | -75.2 | 0 | 0 | 0 | 113.5 | M32 Q124 L127 A129 L130 | M32-Y36 HydrophobicContact CB-CD2 4.37Å; M32-Y36 WeakPolarHBondContact O-CB 3.43Å; M32-Y36 PolarHBondContact O-N 3.04Å; M32-Y36 VanDerWaalsContact O-N 3.11Å; Y36-Q124 VanDerWaalsContact O-CG 3.25Å; Y36-Q124 WeakPolarHBondContact O-CG 3.44Å; Y36-Q124 PolarHBondContact O-OE1 3.25Å; Y36-L127 HydrophobicContact CD1-CD1 3.47Å; Y36-L127 VanDerWaalsContact CD1-CD1 3.47Å; Y36-L127 HydrophobicContact CE1-CD1 3.78Å; Y36-L127 HydrophobicContact CG-CD1 4.42Å; Y36-A129 HydrophobicContact CE1-CB 4.31Å; Y36-A129 HydrophobicContact CE2-CB 3.93Å; Y36-A129 WeakPolarHBondContact OH-CB 3.35Å; Y36-L130 HydrophobicContact CD1-CD2 4.22Å; Y36-L130 HydrophobicContact CD2-CD2 3.55Å; Y36-L130 HydrophobicContact CE2-CD2 4Å; Y36-L130 HydrophobicContact CG-CD2 3.69Å |
| 37 | F | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -126.9 | -60.7 | -178.5 | -56.7 | -87.5 | 0 | 0 | 0 | 113 | I33 L41 F56 F120 Q124 E125 L130 L135 L138 | I33-F37 WeakPolarHBondContact O-CB 3.26Å; I33-F37 PolarHBondContact O-N 3.25Å; F37-L41 VanDerWaalsContact O-CB 3.22Å; F37-L41 WeakPolarHBondContact O-CB 3.37Å; F37-L41 WeakPolarHBondContact O-CD1 3.4Å; F37-L41 WeakPolarHBondContact O-CG 3.31Å; F37-L41 PolarHBondContact O-N 2.94Å; F37-F56 HydrophobicContact CB-CE1 3.78Å; F37-F56 HydrophobicContact CB-CZ 3.68Å; F37-F120 HydrophobicContact CD1-CE1 4.17Å; F37-Q124 HydrophobicContact CD1-CB 4.1Å; F37-Q124 HydrophobicContact CD1-CG 4.43Å; F37-Q124 HydrophobicContact CE1-CB 3.53Å; F37-Q124 HydrophobicContact CE1-CG 4.32Å; F37-Q124 HydrophobicContact CZ-CB 3.86Å; F37-E125 HydrophobicContact CE1-CG 4.26Å; F37-E125 HydrophobicContact CZ-CG 4.01Å; F37-L130 HydrophobicContact CE2-CD1 3.79Å; F37-L130 HydrophobicContact CE2-CG 4.47Å; F37-L130 HydrophobicContact CZ-CD1 4.3Å; F37-L135 HydrophobicContact CB-CD1 4.08Å; F37-L135 HydrophobicContact CD1-CB 4.32Å; F37-L135 HydrophobicContact CD1-CD1 3.96Å; F37-L135 HydrophobicContact CD1-CD2 3.76Å; F37-L135 HydrophobicContact CD1-CG 4.23Å; F37-L135 HydrophobicContact CD2-CD1 3.75Å; F37-L135 HydrophobicContact CE1-CB 3.92Å; F37-L135 HydrophobicContact CE1-CD1 4.28Å; F37-L135 HydrophobicContact CE1-CD2 4.13Å; F37-L135 HydrophobicContact CE1-CG 4.33Å; F37-L135 HydrophobicContact CE2-CD1 4.07Å; F37-L135 HydrophobicContact CG-CD1 3.67Å; F37-L135 HydrophobicContact CG-CD2 4.23Å; F37-L135 HydrophobicContact CG-CG 4.43Å; F37-L135 HydrophobicContact CZ-CB 4.02Å; F37-L135 HydrophobicContact CZ-CD1 4.33Å; F37-L138 HydrophobicContact CE2-CD1 4.06Å |
| 38 | A | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -66.6 | -50.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I33 L34 L41 L42 F56 | I33-A38 PolarHBondContact O-N 2.82Å; L34-A38 HydrophobicContact CD2-CB 4.16Å; L34-A38 PolarHBondContact O-N 2.95Å; A38-L41 PolarHBondContact O-N 2.96Å; A38-L42 VanDerWaalsContact O-CG 3.3Å; A38-L42 WeakPolarHBondContact O-CG 3.33Å; A38-L42 PolarHBondContact O-N 3.08Å; A38-F56 HydrophobicContact CB-CB 4.38Å; A38-F56 HydrophobicContact CB-CD1 3.95Å; A38-F56 HydrophobicContact CB-CD2 3.79Å; A38-F56 HydrophobicContact CB-CE1 4.17Å; A38-F56 HydrophobicContact CB-CE2 4.06Å; A38-F56 HydrophobicContact CB-CG 3.76Å; A38-F56 HydrophobicContact CB-CZ 4.25Å |
| 39 | D | 96.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 179.9 | -64 | -35.6 | 0 | 0 | 0 | 111.6 | L34 L41 L42 C43 R60 | L34-D39 WeakPolarHBondContact O-CB 3.31Å; L34-D39 PolarHBondContact O-N 2.81Å; D39-L41 VanDerWaalsContact C-N 3.31Å; D39-L41 PolarHBondContact O-N 3.36Å; D39-L42 WeakPolarHBondContact O-CB 3.32Å; D39-L42 PolarHBondContact O-N 3.23Å; D39-L42 VanDerWaalsContact O-N 3.16Å; D39-C43 PolarHBondContact O-N 2.93Å; D39-C43 VanDerWaalsContact O-N 3.11Å; D39-C43 PolarHBondContact O-SG 3.08Å; D39-R60 IonicContact OD1-CZ 3.64Å; D39-R60 IonicContact OD1-NE 2.76Å; D39-R60 IonicContact OD1-NH2 3.5Å; D39-R60 PolarHBondContact OD1-NH2 3.36Å |
| 40 | P | 96.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 177 | -24 | 35 | 0 | 0 | 0 | 113.7 | R35 C43 S44 F120 | R35-P40 WeakPolarHBondContact O-CD 3.33Å; R35-P40 VanDerWaalsContact O-CG 3.28Å; R35-P40 WeakPolarHBondContact O-CG 3.45Å; P40-C43 PolarHBondContact O-N 3.25Å; P40-S44 WeakPolarHBondContact O-CB 3.5Å; P40-S44 PolarHBondContact O-N 3.07Å; P40-S44 PolarHBondContact O-OG 3.26Å; P40-F120 HydrophobicContact CB-CE2 3.9Å; P40-F120 HydrophobicContact CB-CZ 3.84Å |
| 41 | L | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.2 | -31.1 | 176.4 | -73.4 | 168.3 | 0 | 0 | 0 | 112.7 | F37 A38 D39 C43 L46 I47 V52 F56 F117 F120 | F37-L41 VanDerWaalsContact O-CB 3.22Å; F37-L41 WeakPolarHBondContact O-CB 3.37Å; F37-L41 WeakPolarHBondContact O-CD1 3.4Å; F37-L41 WeakPolarHBondContact O-CG 3.31Å; F37-L41 PolarHBondContact O-N 2.94Å; A38-L41 PolarHBondContact O-N 2.96Å; D39-L41 VanDerWaalsContact C-N 3.31Å; D39-L41 PolarHBondContact O-N 3.36Å; L41-C43 VanDerWaalsContact C-N 3.34Å; L41-L46 HydrophobicContact CD2-CB 4.21Å; L41-L46 HydrophobicContact CD2-CD1 4.23Å; L41-I47 HydrophobicContact CD1-CD1 4.44Å; L41-I47 HydrophobicContact CD2-CG1 4.37Å; L41-V52 HydrophobicContact CB-CG1 4.48Å; L41-V52 HydrophobicContact CB-CG2 4.11Å; L41-F56 HydrophobicContact CD1-CE2 3.69Å; L41-F56 HydrophobicContact CD1-CZ 3.72Å; L41-F117 HydrophobicContact CD1-CE2 3.8Å; L41-F117 HydrophobicContact CD2-CD2 3.88Å; L41-F117 HydrophobicContact CD2-CE2 3.9Å; L41-F120 HydrophobicContact CD1-CE1 3.89Å; L41-F120 HydrophobicContact CD2-CD1 3.76Å; L41-F120 HydrophobicContact CD2-CE1 3.65Å; L41-F120 HydrophobicContact CD2-CG 4.36Å; L41-F120 HydrophobicContact CD2-CZ 4.13Å; L41-F120 HydrophobicContact CG-CD1 4.2Å; L41-F120 HydrophobicContact CG-CE1 3.56Å; L41-F120 HydrophobicContact CG-CZ 3.89Å |
| 42 | L | 94.4 | Very high | 95.5 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 171.5 | -72.5 | 172 | 0 | 0 | 0 | 111.9 | A38 D39 V49 V52 R60 | A38-L42 VanDerWaalsContact O-CG 3.3Å; A38-L42 WeakPolarHBondContact O-CG 3.33Å; A38-L42 PolarHBondContact O-N 3.08Å; D39-L42 WeakPolarHBondContact O-CB 3.32Å; D39-L42 PolarHBondContact O-N 3.23Å; D39-L42 VanDerWaalsContact O-N 3.16Å; L42-V49 HydrophobicContact CD2-CG1 4.05Å; L42-V52 HydrophobicContact CD2-CB 4.1Å; L42-V52 HydrophobicContact CD2-CG1 3.67Å; L42-V52 HydrophobicContact CD2-CG2 4.43Å; L42-V52 HydrophobicContact CG-CG1 3.86Å; L42-R60 VanDerWaalsContact CD1-NH2 3.35Å |
| 43 | C | 94 | Very high | 95.4 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 69% | 0.689 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -85.3 | -32.2 | -177.9 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | D39 P40 L41 | D39-C43 PolarHBondContact O-N 2.93Å; D39-C43 VanDerWaalsContact O-N 3.11Å; D39-C43 PolarHBondContact O-SG 3.08Å; P40-C43 PolarHBondContact O-N 3.25Å; L41-C43 VanDerWaalsContact C-N 3.34Å |
| 44 | S | 91.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 38% | 0.378 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -84.2 | -14.8 | -173.4 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | P40 L46 | P40-S44 WeakPolarHBondContact O-CB 3.5Å; P40-S44 PolarHBondContact O-N 3.07Å; P40-S44 PolarHBondContact O-OG 3.26Å; S44-L46 PolarHBondContact O-N 3.39Å; S44-L46 VanDerWaalsContact O-N 3.08Å; S44-L46 WeakPolarHBondContact OG-CG 3.43Å |
| 45 | H | 87.2 | Confident | 95.2 | Very high | 145 Ų | 145 | 60.5 Ų | 60.5 | 67% | 0.671 | 31% | 0.31 | S | S | * | . | trans | 55.1 | 21.3 | -175.8 | -56.1 | -65.6 | 0 | 0 | 0 | 115 | I47 | H45-I47 PolarHBondContact O-N 3.24Š| ||
| 46 | L | 92.8 | Very high | 95.2 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 29% | 0.293 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -61.2 | -26.7 | 177.9 | -71.9 | 174.5 | 0 | 0 | 0 | 113.5 | L41 S44 N114 D116 F120 | L41-L46 HydrophobicContact CD2-CB 4.21Å; L41-L46 HydrophobicContact CD2-CD1 4.23Å; S44-L46 PolarHBondContact O-N 3.39Å; S44-L46 VanDerWaalsContact O-N 3.08Å; S44-L46 WeakPolarHBondContact OG-CG 3.43Å; L46-N114 PolarHBondContact O-ND2 3.45Å; L46-D116 HydrophobicContact CD2-CB 4.12Å; L46-F120 HydrophobicContact CD1-CB 3.72Å; L46-F120 HydrophobicContact CD1-CD2 3.76Å; L46-F120 HydrophobicContact CD1-CG 3.76Å |
| 47 | I | 95.3 | Very high | 95 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -138.3 | 156.3 | 173.6 | 60.3 | 172.7 | 0 | 0 | 0 | 109.3 | L41 H45 D51 V52 I55 L110 F117 | L41-I47 HydrophobicContact CD1-CD1 4.44Å; L41-I47 HydrophobicContact CD2-CG1 4.37Å; H45-I47 PolarHBondContact O-N 3.24Å; I47-D51 HydrophobicContact CD1-CB 4.19Å; I47-V52 HydrophobicContact CD1-CG2 3.77Å; I47-V52 HydrophobicContact CG1-CG2 3.64Å; I47-I55 HydrophobicContact CD1-CD1 3.69Å; I47-L110 HydrophobicContact CD1-CD1 4.17Å; I47-L110 HydrophobicContact CG2-CD1 4.28Å; I47-L110 HydrophobicContact CG2-CD2 4.08Å; I47-F117 HydrophobicContact CD1-CD2 4.22Å; I47-F117 HydrophobicContact CD1-CE2 3.86Å; I47-F117 HydrophobicContact CG2-CB 4.18Å; I47-F117 HydrophobicContact CG2-CD2 3.67Å; I47-F117 HydrophobicContact CG2-CE2 4.33Å; I47-F117 HydrophobicContact CG2-CG 4.05Å |
| 48 | P | 95.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | trans | -56.6 | 142.5 | 176 | -24.6 | 34.2 | 0 | 0 | 0 | 112.2 | R50 D51 V52 | P48-R50 PolarHBondContact O-N 3.16Å; P48-R50 VanDerWaalsContact O-N 3.07Å; P48-D51 WeakPolarHBondContact O-CA 3.45Å; P48-D51 WeakPolarHBondContact O-CB 3.36Å; P48-D51 PolarHBondContact O-N 3.06Å; P48-V52 PolarHBondContact O-N 3.48Å; P48-V52 VanDerWaalsContact O-N 3.16Å | ||
| 49 | V | 95.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 47% | 0.473 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.9 | -31.8 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | L42 D51 V52 T53 | L42-V49 HydrophobicContact CD2-CG1 4.05Å; V49-D51 VanDerWaalsContact C-N 3.34Å; V49-D51 PolarHBondContact O-N 2.98Å; V49-V52 WeakPolarHBondContact O-CB 3.46Å; V49-V52 PolarHBondContact O-N 2.92Å; V49-T53 PolarHBondContact O-N 3.21Å; V49-T53 PolarHBondContact O-OG1 3.47Å |
| 50 | R | 95.3 | Very high | 94.7 | Very high | 190 Ų | 190 | 56.4 Ų | 56.4 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.5 | -45.9 | 172.1 | 178.4 | -174 | 169.3 | -165.5 | -4.4 | 111.8 | P48 T53 I54 | P48-R50 PolarHBondContact O-N 3.16Å; P48-R50 VanDerWaalsContact O-N 3.07Å; R50-T53 WeakPolarHBondContact O-CB 3.42Å; R50-T53 PolarHBondContact O-N 3.39Å; R50-I54 HydrophobicContact CG-CD1 4Å; R50-I54 WeakPolarHBondContact O-CG1 3.44Å; R50-I54 PolarHBondContact O-N 2.82Å |
| 51 | D | 96.2 | Very high | 94.7 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | -177.8 | -69.3 | -4.8 | 0 | 0 | 0 | 110.6 | I47 P48 V49 T53 I54 I55 L106 L110 | I47-D51 HydrophobicContact CD1-CB 4.19Å; P48-D51 WeakPolarHBondContact O-CA 3.45Å; P48-D51 WeakPolarHBondContact O-CB 3.36Å; P48-D51 PolarHBondContact O-N 3.06Å; V49-D51 VanDerWaalsContact C-N 3.34Å; V49-D51 PolarHBondContact O-N 2.98Å; D51-T53 VanDerWaalsContact C-N 3.29Å; D51-T53 PolarHBondContact O-N 3.04Å; D51-I54 PolarHBondContact O-N 2.92Å; D51-I54 VanDerWaalsContact O-N 3.17Å; D51-I55 VanDerWaalsContact O-CG1 3.24Å; D51-I55 WeakPolarHBondContact O-CG1 3.34Å; D51-I55 PolarHBondContact O-N 2.94Å; D51-L106 HydrophobicContact CB-CD2 3.92Å; D51-L110 HydrophobicContact CB-CD1 4.41Å |
| 52 | V | 96.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.9 | -48 | 169.4 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | L41 L42 I47 P48 V49 I54 I55 F56 | L41-V52 HydrophobicContact CB-CG1 4.48Å; L41-V52 HydrophobicContact CB-CG2 4.11Å; L42-V52 HydrophobicContact CD2-CB 4.1Å; L42-V52 HydrophobicContact CD2-CG1 3.67Å; L42-V52 HydrophobicContact CD2-CG2 4.43Å; L42-V52 HydrophobicContact CG-CG1 3.86Å; I47-V52 HydrophobicContact CD1-CG2 3.77Å; I47-V52 HydrophobicContact CG1-CG2 3.64Å; P48-V52 PolarHBondContact O-N 3.48Å; P48-V52 VanDerWaalsContact O-N 3.16Å; V49-V52 WeakPolarHBondContact O-CB 3.46Å; V49-V52 PolarHBondContact O-N 2.92Å; V52-I54 VanDerWaalsContact C-N 3.31Å; V52-I54 PolarHBondContact O-N 3.08Å; V52-I55 PolarHBondContact O-N 3.36Å; V52-F56 HydrophobicContact CB-CD2 4.49Å; V52-F56 HydrophobicContact CG1-CD2 3.56Å; V52-F56 HydrophobicContact CG1-CE2 3.84Å; V52-F56 WeakPolarHBondContact O-CD2 3.37Å; V52-F56 PolarHBondContact O-N 2.83Å |
| 53 | T | 94.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 56.5 Ų | 56.5 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | V49 R50 D51 G57 | V49-T53 PolarHBondContact O-N 3.21Å; V49-T53 PolarHBondContact O-OG1 3.47Å; R50-T53 WeakPolarHBondContact O-CB 3.42Å; R50-T53 PolarHBondContact O-N 3.39Å; D51-T53 VanDerWaalsContact C-N 3.29Å; D51-T53 PolarHBondContact O-N 3.04Å; T53-G57 VanDerWaalsContact O-CA 3.3Å; T53-G57 WeakPolarHBondContact O-CA 3.17Å; T53-G57 PolarHBondContact O-N 3.05Å |
| 54 | I | 95.3 | Very high | 95 | Very high | 55 Ų | 55 | 54.2 Ų | 54.2 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.8 | -43.2 | 176.8 | -67 | 164.3 | 0 | 0 | 0 | 111.1 | R50 D51 V52 S103 L106 | R50-I54 HydrophobicContact CG-CD1 4Å; R50-I54 WeakPolarHBondContact O-CG1 3.44Å; R50-I54 PolarHBondContact O-N 2.82Å; D51-I54 PolarHBondContact O-N 2.92Å; D51-I54 VanDerWaalsContact O-N 3.17Å; V52-I54 VanDerWaalsContact C-N 3.31Å; V52-I54 PolarHBondContact O-N 3.08Å; I54-S103 WeakPolarHBondContact O-CB 3.48Å; I54-L106 HydrophobicContact CB-CD2 3.71Å; I54-L106 HydrophobicContact CD1-CD2 4.18Å; I54-L106 HydrophobicContact CG2-CB 4.5Å; I54-L106 HydrophobicContact CG2-CD2 3.56Å |
| 55 | I | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65 | -50.6 | -178.1 | -67.2 | 165 | 0 | 0 | 0 | 110.6 | I47 D51 V52 S103 L106 L110 F117 L139 | I47-I55 HydrophobicContact CD1-CD1 3.69Å; D51-I55 VanDerWaalsContact O-CG1 3.24Å; D51-I55 WeakPolarHBondContact O-CG1 3.34Å; D51-I55 PolarHBondContact O-N 2.94Å; V52-I55 PolarHBondContact O-N 3.36Å; I55-S103 WeakPolarHBondContact CA-OG 3.49Å; I55-S103 WeakPolarHBondContact O-CB 3.36Å; I55-S103 PolarHBondContact O-OG 2.9Å; I55-L106 HydrophobicContact CG1-CD2 4.07Å; I55-L106 HydrophobicContact CG1-CG 4.28Å; I55-L110 HydrophobicContact CD1-CD1 3.74Å; I55-F117 HydrophobicContact CD1-CZ 4.29Å; I55-L139 HydrophobicContact CG2-CD1 4.06Å |
| 56 | F | 96.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -93.9 | -15.5 | -170.8 | -60 | -71 | 0 | 0 | 0 | 113.6 | I33 F37 A38 L41 V52 I59 Y96 L135 L139 | I33-F56 HydrophobicContact CG2-CD1 3.48Å; I33-F56 VanDerWaalsContact CG2-CD1 3.48Å; I33-F56 HydrophobicContact CG2-CE1 3.75Å; F37-F56 HydrophobicContact CB-CE1 3.78Å; F37-F56 HydrophobicContact CB-CZ 3.68Å; A38-F56 HydrophobicContact CB-CB 4.38Å; A38-F56 HydrophobicContact CB-CD1 3.95Å; A38-F56 HydrophobicContact CB-CD2 3.79Å; A38-F56 HydrophobicContact CB-CE1 4.17Å; A38-F56 HydrophobicContact CB-CE2 4.06Å; A38-F56 HydrophobicContact CB-CG 3.76Å; A38-F56 HydrophobicContact CB-CZ 4.25Å; L41-F56 HydrophobicContact CD1-CE2 3.69Å; L41-F56 HydrophobicContact CD1-CZ 3.72Å; V52-F56 HydrophobicContact CB-CD2 4.49Å; V52-F56 HydrophobicContact CG1-CD2 3.56Å; V52-F56 HydrophobicContact CG1-CE2 3.84Å; V52-F56 WeakPolarHBondContact O-CD2 3.37Å; V52-F56 PolarHBondContact O-N 2.83Å; F56-I59 HydrophobicContact CB-CD1 4.33Å; F56-I59 HydrophobicContact CD1-CD1 4.49Å; F56-I59 WeakPolarHBondContact O-CD1 3.49Å; F56-I59 WeakPolarHBondContact O-CG1 3.37Å; F56-I59 PolarHBondContact O-N 3.2Å; F56-Y96 WeakPolarHBondContact O-CE2 2.96Å; F56-L135 HydrophobicContact CE1-CD1 4.06Å; F56-L139 HydrophobicContact CD1-CD2 3.99Å; F56-L139 HydrophobicContact CE1-CD2 4.38Å |
| 57 | G | 93.9 | Very high | 96 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -147.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T53 I59 | T53-G57 VanDerWaalsContact O-CA 3.3Å; T53-G57 WeakPolarHBondContact O-CA 3.17Å; T53-G57 PolarHBondContact O-N 3.05Å; G57-I59 PolarHBondContact O-N 2.83Å |
| 58 | D | 92.7 | Very high | 96 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 52.7 | 176.7 | -163.5 | 6.7 | 0 | 0 | 0 | 112.7 | R60 S61 I62 | D58-R60 PolarHBondContact O-N 3.45Å; D58-S61 VanDerWaalsContact CG-CB 3.44Å; D58-S61 PolarHBondContact O-N 3.32Å; D58-S61 WeakPolarHBondContact OD1-CB 3.46Å; D58-S61 PolarHBondContact OD1-N 3.37Å; D58-S61 PolarHBondContact OD1-OG 3.16Å; D58-S61 WeakPolarHBondContact OD2-CB 3.45Å; D58-S61 PolarHBondContact OD2-OG 3.5Å; D58-I62 PolarHBondContact O-N 3.19Å |
| 59 | I | 96.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -31.1 | 175.8 | -79.6 | 166.9 | 0 | 0 | 0 | 112 | L30 I33 L34 F56 G57 S61 I62 R63 Y96 L139 | L30-I59 HydrophobicContact CD2-CG2 4.19Å; I33-I59 HydrophobicContact CD1-CD1 4.07Å; I33-I59 HydrophobicContact CG2-CD1 3.74Å; L34-I59 HydrophobicContact CD2-CB 4.5Å; L34-I59 HydrophobicContact CD2-CG2 3.94Å; L34-I59 HydrophobicContact CG-CG2 4.11Å; F56-I59 HydrophobicContact CB-CD1 4.33Å; F56-I59 HydrophobicContact CD1-CD1 4.49Å; F56-I59 WeakPolarHBondContact O-CD1 3.49Å; F56-I59 WeakPolarHBondContact O-CG1 3.37Å; F56-I59 PolarHBondContact O-N 3.2Å; G57-I59 PolarHBondContact O-N 2.83Å; I59-S61 PolarHBondContact O-N 2.94Å; I59-I62 PolarHBondContact O-N 2.97Å; I59-R63 WeakPolarHBondContact O-CB 3.35Å; I59-R63 PolarHBondContact O-N 3.07Å; I59-Y96 HydrophobicContact CD1-CE2 3.71Å; I59-Y96 HydrophobicContact CG1-CD2 4.06Å; I59-Y96 HydrophobicContact CG1-CE2 3.44Å; I59-Y96 VanDerWaalsContact CG1-CE2 3.44Å; I59-L139 HydrophobicContact CD1-CD2 3.95Å |
| 60 | R | 96 | Very high | 96.3 | Very high | 102 Ų | 102 | 39.5 Ų | 39.5 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62 | -44.9 | 178.9 | -69.2 | -172.5 | -176 | 78.2 | -0.2 | 111.4 | L34 D39 L42 D58 R63 L64 | L34-R60 HydrophobicContact CD1-CG 3.99Å; L34-R60 HydrophobicContact CD2-CG 3.53Å; L34-R60 HydrophobicContact CG-CG 4.43Å; D39-R60 IonicContact OD1-CZ 3.64Å; D39-R60 IonicContact OD1-NE 2.76Å; D39-R60 IonicContact OD1-NH2 3.5Å; D39-R60 PolarHBondContact OD1-NH2 3.36Å; L42-R60 VanDerWaalsContact CD1-NH2 3.35Å; D58-R60 PolarHBondContact O-N 3.45Å; R60-R63 PolarHBondContact O-N 2.9Å; R60-L64 WeakPolarHBondContact O-CB 3.3Å; R60-L64 PolarHBondContact O-N 3.3Å |
| 61 | S | 96 | Very high | 96.4 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 175.7 | -64 | 0 | 0 | 0 | 0 | 112.6 | D58 I59 L64 V65 | D58-S61 VanDerWaalsContact CG-CB 3.44Å; D58-S61 PolarHBondContact O-N 3.32Å; D58-S61 WeakPolarHBondContact OD1-CB 3.46Å; D58-S61 PolarHBondContact OD1-N 3.37Å; D58-S61 PolarHBondContact OD1-OG 3.16Å; D58-S61 WeakPolarHBondContact OD2-CB 3.45Å; D58-S61 PolarHBondContact OD2-OG 3.5Å; I59-S61 PolarHBondContact O-N 2.94Å; S61-L64 WeakPolarHBondContact O-CB 3.24Å; S61-L64 PolarHBondContact O-N 3.13Å; S61-V65 WeakPolarHBondContact O-CG2 3.35Å; S61-V65 PolarHBondContact O-N 3.18Å; S61-V65 VanDerWaalsContact O-N 3.15Å |
| 62 | I | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -53.7 | 175 | -68.5 | 176.1 | 0 | 0 | 0 | 110.1 | Y26 L30 D58 I59 L64 V65 N66 L92 Y93 Y96 P142 | Y26-I62 VanDerWaalsContact OH-CG2 3.29Å; Y26-I62 WeakPolarHBondContact OH-CG2 3.27Å; L30-I62 HydrophobicContact CD1-CG2 4.06Å; D58-I62 PolarHBondContact O-N 3.19Å; I59-I62 PolarHBondContact O-N 2.97Å; I62-L64 PolarHBondContact O-N 3.48Å; I62-V65 PolarHBondContact O-N 3.22Å; I62-V65 VanDerWaalsContact O-N 3.13Å; I62-N66 WeakPolarHBondContact CG2-OD1 3.38Å; I62-N66 WeakPolarHBondContact O-CB 3.16Å; I62-N66 PolarHBondContact O-N 2.97Å; I62-N66 PolarHBondContact O-OD1 2.73Å; I62-L92 HydrophobicContact CG1-CB 4.12Å; I62-Y93 HydrophobicContact CG2-CE1 4.01Å; I62-Y93 HydrophobicContact CG2-CE2 3.9Å; I62-Y93 WeakPolarHBondContact CG2-OH 3.43Å; I62-Y96 HydrophobicContact CD1-CD2 4.13Å; I62-Y96 HydrophobicContact CD1-CG 3.86Å; I62-P142 HydrophobicContact CD1-CB 4.24Å |
| 63 | R | 97.7 | Very high | 96.5 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 27% | 0.272 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -50.7 | -43.9 | 175.7 | 178.8 | -165.1 | 176.7 | -82.6 | -5.6 | 111.9 | L27 L30 D31 L34 I59 R60 N66 Q67 | L27-R63 HydrophobicContact CD2-CG 4.23Å; L30-R63 HydrophobicContact CB-CB 4.21Å; L30-R63 HydrophobicContact CB-CG 4.33Å; L30-R63 HydrophobicContact CD1-CB 3.83Å; L30-R63 HydrophobicContact CD1-CG 4.43Å; D31-R63 IonicContact OD1-CZ 3.8Å; D31-R63 VanDerWaalsContact OD1-CZ 3.29Å; D31-R63 IonicContact OD1-NE 2.78Å; D31-R63 PolarHBondContact OD1-NE 3.13Å; D31-R63 IonicContact OD1-NH2 3.82Å; D31-R63 PolarHBondContact OD1-NH2 2.63Å; D31-R63 IonicContact OD2-NH2 2.7Å; L34-R63 VanDerWaalsContact CD1-CD 3.48Å; I59-R63 WeakPolarHBondContact O-CB 3.35Å; I59-R63 PolarHBondContact O-N 3.07Å; R60-R63 PolarHBondContact O-N 2.9Å; R63-N66 PolarHBondContact O-N 3.39Å; R63-Q67 WeakPolarHBondContact O-CB 3.46Å; R63-Q67 PolarHBondContact O-N 3.37Å |
| 64 | L | 96.4 | Very high | 96.6 | Very high | 55 Ų | 55 | 32.1 Ų | 32.1 | 29% | 0.288 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -47 | -178.8 | -167.1 | 66 | 0 | 0 | 0 | 112.5 | R60 S61 I62 N66 Q67 V68 F376 | R60-L64 WeakPolarHBondContact O-CB 3.3Å; R60-L64 PolarHBondContact O-N 3.3Å; S61-L64 WeakPolarHBondContact O-CB 3.24Å; S61-L64 PolarHBondContact O-N 3.13Å; I62-L64 PolarHBondContact O-N 3.48Å; L64-N66 VanDerWaalsContact C-N 3.32Å; L64-Q67 PolarHBondContact O-N 3.21Å; L64-V68 WeakPolarHBondContact O-CG2 3.27Å; L64-V68 PolarHBondContact O-N 2.87Å; L64-F376 HydrophobicContact CD1-CD2 3.66Å; L64-F376 HydrophobicContact CD1-CE1 4Å; L64-F376 HydrophobicContact CD1-CE2 3.06Å; L64-F376 HydrophobicContact CD1-CG 4.36Å; L64-F376 HydrophobicContact CD1-CZ 3.25Å; L64-F376 HydrophobicContact CD2-CB 4.48Å; L64-F376 HydrophobicContact CD2-CD2 3.34Å; L64-F376 HydrophobicContact CD2-CE2 3.71Å; L64-F376 HydrophobicContact CD2-CG 3.94Å; L64-F376 HydrophobicContact CG-CD2 3.41Å; L64-F376 VanDerWaalsContact CG-CD2 3.41Å; L64-F376 HydrophobicContact CG-CE2 3.19Å; L64-F376 HydrophobicContact CG-CG 4.35Å; L64-F376 HydrophobicContact CG-CZ 3.96Å |
| 65 | V | 96.2 | Very high | 96.6 | Very high | 17 Ų | 17 | 33.9 Ų | 33.9 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111 | S61 I62 V68 L69 L86 F89 M90 L92 | S61-V65 WeakPolarHBondContact O-CG2 3.35Å; S61-V65 PolarHBondContact O-N 3.18Å; S61-V65 VanDerWaalsContact O-N 3.15Å; I62-V65 PolarHBondContact O-N 3.22Å; I62-V65 VanDerWaalsContact O-N 3.13Å; V65-V68 PolarHBondContact O-N 3.46Å; V65-L69 PolarHBondContact O-N 3.18Å; V65-L69 VanDerWaalsContact O-N 3.08Å; V65-L86 HydrophobicContact CG1-CD2 4.41Å; V65-F89 HydrophobicContact CG1-CB 4.19Å; V65-F89 HydrophobicContact CG2-CB 3.75Å; V65-M90 HydrophobicContact CG1-CE 3.94Å; V65-M90 HydrophobicContact CG1-SD 4Å; V65-L92 HydrophobicContact CG2-CD1 3.81Å |
| 66 | N | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.6 | -31.6 | -179.9 | -75.9 | 101.6 | 0 | 0 | 0 | 113.2 | E23 Y26 L27 I62 R63 L64 L69 Y70 Y93 Y149 | E23-N66 WeakPolarHBondContact OE1-CA 3.16Å; E23-N66 WeakPolarHBondContact OE1-CB 3.43Å; E23-N66 PolarHBondContact OE1-ND2 3.32Å; Y26-N66 HydrophobicContact CD1-CB 4.46Å; Y26-N66 HydrophobicContact CE1-CB 4.24Å; L27-N66 HydrophobicContact CD2-CB 3.75Å; L27-N66 HydrophobicContact CG-CB 4.48Å; I62-N66 WeakPolarHBondContact CG2-OD1 3.38Å; I62-N66 WeakPolarHBondContact O-CB 3.16Å; I62-N66 PolarHBondContact O-N 2.97Å; I62-N66 PolarHBondContact O-OD1 2.73Å; R63-N66 PolarHBondContact O-N 3.39Å; L64-N66 VanDerWaalsContact C-N 3.32Å; N66-L69 PolarHBondContact O-N 3.1Å; N66-Y70 WeakPolarHBondContact O-CB 3.49Å; N66-Y70 PolarHBondContact O-N 2.63Å; N66-Y93 VanDerWaalsContact CG-OH 3.23Å; N66-Y93 PolarHBondContact ND2-OH 3.37Å; N66-Y93 PolarHBondContact OD1-OH 3.06Å; N66-Y149 PolarHBondContact ND2-OH 2.58Å |
| 67 | Q | 97.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 171.4 | -175.3 | 64.8 | 56.7 | 0 | 0 | 110.4 | L27 R63 L64 L69 Y70 D71 | L27-Q67 HydrophobicContact CD2-CB 4.46Å; R63-Q67 WeakPolarHBondContact O-CB 3.46Å; R63-Q67 PolarHBondContact O-N 3.37Å; L64-Q67 PolarHBondContact O-N 3.21Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 3.44Å; Q67-Y70 PolarHBondContact O-N 2.81Å; Q67-D71 PolarHBondContact NE2-OD1 3.26Å; Q67-D71 PolarHBondContact O-N 3.29Å |
| 68 | V | 97.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 177.7 | -178 | 0 | 0 | 0 | 0 | 111.3 | L64 V65 R72 L86 F376 L383 | L64-V68 WeakPolarHBondContact O-CG2 3.27Å; L64-V68 PolarHBondContact O-N 2.87Å; V65-V68 PolarHBondContact O-N 3.46Å; V68-R72 VanDerWaalsContact O-CG 3.3Å; V68-R72 WeakPolarHBondContact O-CG 3.43Å; V68-R72 PolarHBondContact O-N 3.08Å; V68-R72 VanDerWaalsContact O-N 3.09Å; V68-L86 HydrophobicContact CB-CD1 4.27Å; V68-L86 HydrophobicContact CB-CD2 4.17Å; V68-L86 HydrophobicContact CG1-CD1 4.05Å; V68-L86 HydrophobicContact CG1-CD2 3.91Å; V68-F376 HydrophobicContact CG2-CE2 3.94Å; V68-L383 HydrophobicContact CG1-CD1 4.28Å |
| 69 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 173.9 | 178.4 | 60.1 | 0 | 0 | 0 | 111.1 | V65 N66 Q67 D71 R72 L73 A82 F83 L86 M90 Y149 | V65-L69 PolarHBondContact O-N 3.18Å; V65-L69 VanDerWaalsContact O-N 3.08Å; N66-L69 PolarHBondContact O-N 3.1Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 3.44Å; L69-D71 VanDerWaalsContact C-N 3.35Å; L69-D71 PolarHBondContact O-N 3.24Å; L69-R72 PolarHBondContact O-N 3.37Å; L69-L73 HydrophobicContact CD1-CD1 4.33Å; L69-L73 HydrophobicContact CD1-CG 4.36Å; L69-L73 HydrophobicContact CG-CD1 4.1Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.26Å; L69-L73 PolarHBondContact O-N 2.81Å; L69-A82 HydrophobicContact CD1-CB 4.18Å; L69-F83 HydrophobicContact CD1-CD2 4.07Å; L69-F83 HydrophobicContact CD1-CE2 4.14Å; L69-F83 HydrophobicContact CD1-CG 4.3Å; L69-F83 HydrophobicContact CD1-CZ 4.43Å; L69-F83 HydrophobicContact CD2-CE1 4.07Å; L69-F83 HydrophobicContact CD2-CE2 4.35Å; L69-F83 HydrophobicContact CD2-CZ 3.89Å; L69-L86 HydrophobicContact CB-CD1 3.78Å; L69-L86 HydrophobicContact CD1-CD1 4.28Å; L69-M90 HydrophobicContact CD2-CE 3.92Å; L69-Y149 HydrophobicContact CD2-CE1 4.19Å; L69-Y149 WeakPolarHBondContact CD2-OH 3.44Å |
| 70 | Y | 98 | Very high | 96.6 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 178.2 | -179.1 | -111.8 | 0 | 0 | 0 | 112.4 | R20 E23 R24 L27 N66 Q67 R72 L73 N74 | R20-Y70 HydrophobicContact CG-CE2 4.29Å; E23-Y70 HydrophobicContact CB-CD2 4.17Å; E23-Y70 HydrophobicContact CG-CD2 4.11Å; E23-Y70 HydrophobicContact CG-CG 4.41Å; R24-Y70 HydrophobicContact CB-CD2 4.32Å; R24-Y70 HydrophobicContact CB-CE2 3.59Å; R24-Y70 WeakPolarHBondContact CD-OH 3.41Å; R24-Y70 HydrophobicContact CG-CE2 4.13Å; L27-Y70 HydrophobicContact CD1-CD1 4.01Å; L27-Y70 HydrophobicContact CD1-CD2 4.5Å; L27-Y70 HydrophobicContact CD1-CG 3.76Å; N66-Y70 WeakPolarHBondContact O-CB 3.49Å; N66-Y70 PolarHBondContact O-N 2.63Å; Q67-Y70 PolarHBondContact O-N 2.81Å; Y70-R72 VanDerWaalsContact C-N 3.33Å; Y70-R72 PolarHBondContact O-N 3.43Å; Y70-L73 PolarHBondContact O-N 3.23Å; Y70-N74 VanDerWaalsContact CD1-ND2 3.26Å; Y70-N74 WeakPolarHBondContact CD1-ND2 3.44Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.29Å; Y70-N74 PolarHBondContact O-N 2.95Å; Y70-N74 PolarHBondContact O-ND2 3.27Å; Y70-N74 VanDerWaalsContact O-ND2 3.08Å |
| 71 | D | 97.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 33% | 0.326 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.5 | -62 | -19.2 | 0 | 0 | 0 | 110.8 | Q67 L69 L73 N74 L75 | Q67-D71 PolarHBondContact NE2-OD1 3.26Å; Q67-D71 PolarHBondContact O-N 3.29Å; L69-D71 VanDerWaalsContact C-N 3.35Å; L69-D71 PolarHBondContact O-N 3.24Å; D71-L73 PolarHBondContact O-N 3.34Å; D71-N74 PolarHBondContact O-N 3.2Å; D71-L75 WeakPolarHBondContact O-CG 3.27Å; D71-L75 PolarHBondContact O-N 3.42Å |
| 72 | R | 97.7 | Very high | 96.7 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 175.1 | -74.2 | 178 | -173.7 | -170.6 | 2.3 | 113.4 | V68 L69 Y70 L75 L77 A82 D85 | V68-R72 VanDerWaalsContact O-CG 3.3Å; V68-R72 WeakPolarHBondContact O-CG 3.43Å; V68-R72 PolarHBondContact O-N 3.08Å; V68-R72 VanDerWaalsContact O-N 3.09Å; L69-R72 PolarHBondContact O-N 3.37Å; Y70-R72 VanDerWaalsContact C-N 3.33Å; Y70-R72 PolarHBondContact O-N 3.43Å; R72-L75 PolarHBondContact O-N 3.17Å; R72-L77 HydrophobicContact CB-CD1 3.92Å; R72-L77 HydrophobicContact CG-CD1 3.9Å; R72-L77 WeakPolarHBondContact O-CG 3.23Å; R72-L77 PolarHBondContact O-N 2.79Å; R72-A82 HydrophobicContact CB-CB 4.1Å; R72-A82 WeakPolarHBondContact CD-O 3.28Å; R72-A82 PolarHBondContact NH1-O 3.15Å; R72-A82 VanDerWaalsContact NH1-O 3.17Å; R72-D85 IonicContact CZ-OD1 2.79Å; R72-D85 VanDerWaalsContact CZ-OD1 3.25Å; R72-D85 IonicContact NH1-OD1 2.63Å; R72-D85 PolarHBondContact NH1-OD1 3.09Å; R72-D85 IonicContact NH2-OD1 3.79Å; R72-D85 PolarHBondContact NH2-OD1 2.76Å; R72-D85 IonicContact NH2-OD2 3.25Å |
| 73 | L | 97.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.9 | -37 | 175.4 | -66.7 | 168.6 | 0 | 0 | 0 | 111.5 | Y16 I19 R20 E23 L69 Y70 D71 L75 G76 I79 A82 | Y16-L73 HydrophobicContact CE2-CD2 4.07Å; Y16-L73 PolarHBondContact OH-O 3.28Å; I19-L73 HydrophobicContact CG2-CD1 3.93Å; I19-L73 HydrophobicContact CG2-CD2 4.42Å; R20-L73 HydrophobicContact CB-CB 4.46Å; R20-L73 HydrophobicContact CG-CB 4.03Å; E23-L73 HydrophobicContact CB-CD1 4.35Å; E23-L73 HydrophobicContact CG-CD1 4.45Å; L69-L73 HydrophobicContact CD1-CD1 4.33Å; L69-L73 HydrophobicContact CD1-CG 4.36Å; L69-L73 HydrophobicContact CG-CD1 4.1Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.26Å; L69-L73 PolarHBondContact O-N 2.81Å; Y70-L73 PolarHBondContact O-N 3.23Å; D71-L73 PolarHBondContact O-N 3.34Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.45Å; L73-G76 PolarHBondContact O-N 3.22Å; L73-G76 VanDerWaalsContact O-N 3.11Å; L73-I79 HydrophobicContact CD2-CD1 3.9Å; L73-A82 HydrophobicContact CD2-CB 3.78Å; L73-A82 HydrophobicContact CG-CB 4.28Å |
| 74 | N | 96.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 34.8 Ų | 34.8 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.9 | -24 | 175.8 | -68 | -43.6 | 0 | 0 | 0 | 113.4 | R20 Y70 D71 G76 | R20-N74 WeakPolarHBondContact CD-OD1 3.4Å; R20-N74 PolarHBondContact NH1-OD1 3.45Å; Y70-N74 VanDerWaalsContact CD1-ND2 3.26Å; Y70-N74 WeakPolarHBondContact CD1-ND2 3.44Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.29Å; Y70-N74 PolarHBondContact O-N 2.95Å; Y70-N74 PolarHBondContact O-ND2 3.27Å; Y70-N74 VanDerWaalsContact O-ND2 3.08Å; D71-N74 PolarHBondContact O-N 3.2Å; N74-G76 PolarHBondContact O-N 2.82Å |
| 75 | L | 96.3 | Very high | 96.2 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 48% | 0.482 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.4 | 170 | -70.1 | 173.3 | 0 | 0 | 0 | 112.9 | D71 R72 L73 L77 L383 | D71-L75 WeakPolarHBondContact O-CG 3.27Å; D71-L75 PolarHBondContact O-N 3.42Å; R72-L75 PolarHBondContact O-N 3.17Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.45Å; L75-L77 VanDerWaalsContact C-N 3.29Å; L75-L77 HydrophobicContact CB-CG 4.22Å; L75-L77 PolarHBondContact O-N 2.78Å; L75-L383 HydrophobicContact CD1-CD2 4Å |
| 76 | G | 93.7 | Very high | 96.1 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 59% | 0.588 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 22.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L73 N74 | L73-G76 PolarHBondContact O-N 3.22Å; L73-G76 VanDerWaalsContact O-N 3.11Å; N74-G76 PolarHBondContact O-N 2.82Å |
| 77 | L | 95.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | trans | -62.1 | 147.2 | 175 | -61.9 | -172.9 | 0 | 0 | 0 | 110.3 | Y16 R72 L75 E81 A82 | Y16-L77 WeakPolarHBondContact CE2-O 3.28Å; Y16-L77 PolarHBondContact OH-O 3.01Å; R72-L77 HydrophobicContact CB-CD1 3.92Å; R72-L77 HydrophobicContact CG-CD1 3.9Å; R72-L77 WeakPolarHBondContact O-CG 3.23Å; R72-L77 PolarHBondContact O-N 2.79Å; L75-L77 VanDerWaalsContact C-N 3.29Å; L75-L77 HydrophobicContact CB-CG 4.22Å; L75-L77 PolarHBondContact O-N 2.78Å; L77-E81 HydrophobicContact CB-CB 4.35Å; L77-E81 HydrophobicContact CB-CG 4.4Å; L77-E81 HydrophobicContact CD1-CG 4.11Å; L77-A82 HydrophobicContact CB-CB 4.46Å | ||
| 78 | D | 94.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 21% | 0.212 | S | C | . | . | trans | -52.7 | 144.2 | 170.7 | 177.1 | -100.1 | 0 | 0 | 0 | 110.2 | V80 E81 A82 Q166 | D78-V80 PolarHBondContact O-N 3.25Å; D78-V80 VanDerWaalsContact O-N 3.08Å; D78-V80 VanDerWaalsContact OD1-CB 3.27Å; D78-V80 WeakPolarHBondContact OD1-CB 3.37Å; D78-V80 PolarHBondContact OD1-N 2.75Å; D78-E81 HydrophobicContact CB-CB 4.31Å; D78-E81 CarbonylContact O-C 3.59Å; D78-E81 WeakPolarHBondContact O-CA 3.5Å; D78-E81 WeakPolarHBondContact O-CB 3.32Å; D78-E81 PolarHBondContact O-N 3.33Å; D78-A82 PolarHBondContact O-N 3.09Å; D78-Q166 PolarHBondContact OD1-NE2 3.49Å; D78-Q166 PolarHBondContact OD2-NE2 3.31Å | ||
| 79 | I | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56 | -34.3 | -174.5 | -169.3 | 60 | 0 | 0 | 0 | 112.8 | Y16 I19 L73 F83 L153 M156 V170 | Y16-I79 HydrophobicContact CD2-CB 4.43Å; Y16-I79 HydrophobicContact CE2-CB 4.41Å; I19-I79 HydrophobicContact CD1-CD1 3.8Å; I19-I79 HydrophobicContact CD1-CG1 4.27Å; I19-I79 HydrophobicContact CG2-CD1 4.21Å; L73-I79 HydrophobicContact CD2-CD1 3.9Å; I79-F83 HydrophobicContact CD1-CD2 3.97Å; I79-F83 HydrophobicContact CD1-CE2 3.85Å; I79-F83 HydrophobicContact CG1-CD2 4.33Å; I79-F83 HydrophobicContact CG1-CE2 4.46Å; I79-F83 WeakPolarHBondContact O-CD2 3.47Å; I79-F83 PolarHBondContact O-N 3.32Å; I79-L153 HydrophobicContact CG1-CD2 3.84Å; I79-M156 HydrophobicContact CB-CE 4.2Å; I79-M156 HydrophobicContact CB-SD 4.23Å; I79-M156 HydrophobicContact CG1-CE 4.44Å; I79-M156 HydrophobicContact CG1-SD 3.92Å; I79-M156 HydrophobicContact CG2-CE 4.12Å; I79-M156 HydrophobicContact CG2-SD 4.02Å; I79-V170 HydrophobicContact CG2-CG2 3.86Å |
| 80 | V | 96.6 | Very high | 94.9 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.1 | -35.9 | 179 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | D78 G84 L169 V170 L173 | D78-V80 PolarHBondContact O-N 3.25Å; D78-V80 VanDerWaalsContact O-N 3.08Å; D78-V80 VanDerWaalsContact OD1-CB 3.27Å; D78-V80 WeakPolarHBondContact OD1-CB 3.37Å; D78-V80 PolarHBondContact OD1-N 2.75Å; V80-G84 WeakPolarHBondContact O-CA 3.33Å; V80-G84 PolarHBondContact O-N 3.28Å; V80-L169 HydrophobicContact CG1-CB 4.33Å; V80-L169 HydrophobicContact CG2-CB 3.89Å; V80-V170 HydrophobicContact CG2-CG2 3.9Å; V80-L173 HydrophobicContact CG2-CD2 4.46Å |
| 81 | E | 95.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 44.5 Ų | 44.5 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.9 | -41.5 | 174.7 | -171.9 | 175.8 | -170 | 0 | 0 | 111.9 | L77 D78 F83 G84 | L77-E81 HydrophobicContact CB-CB 4.35Å; L77-E81 HydrophobicContact CB-CG 4.4Å; L77-E81 HydrophobicContact CD1-CG 4.11Å; D78-E81 HydrophobicContact CB-CB 4.31Å; D78-E81 CarbonylContact O-C 3.59Å; D78-E81 WeakPolarHBondContact O-CA 3.5Å; D78-E81 WeakPolarHBondContact O-CB 3.32Å; D78-E81 PolarHBondContact O-N 3.33Å; E81-F83 PolarHBondContact O-N 3.13Å; E81-G84 PolarHBondContact O-N 3.26Å |
| 82 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.7 | -49.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L69 R72 L73 L77 D78 | L69-A82 HydrophobicContact CD1-CB 4.18Å; R72-A82 HydrophobicContact CB-CB 4.1Å; R72-A82 WeakPolarHBondContact CD-O 3.28Å; R72-A82 PolarHBondContact NH1-O 3.15Å; R72-A82 VanDerWaalsContact NH1-O 3.17Å; L73-A82 HydrophobicContact CD2-CB 3.78Å; L73-A82 HydrophobicContact CG-CB 4.28Å; L77-A82 HydrophobicContact CB-CB 4.46Å; D78-A82 PolarHBondContact O-N 3.09Å |
| 83 | F | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.4 | -39.5 | 174.1 | -86.2 | -91.9 | 0 | 0 | 0 | 113.4 | L69 I79 E81 D85 L86 I87 M90 Y149 L173 I177 | L69-F83 HydrophobicContact CD1-CD2 4.07Å; L69-F83 HydrophobicContact CD1-CE2 4.14Å; L69-F83 HydrophobicContact CD1-CG 4.3Å; L69-F83 HydrophobicContact CD1-CZ 4.43Å; L69-F83 HydrophobicContact CD2-CE1 4.07Å; L69-F83 HydrophobicContact CD2-CE2 4.35Å; L69-F83 HydrophobicContact CD2-CZ 3.89Å; I79-F83 HydrophobicContact CD1-CD2 3.97Å; I79-F83 HydrophobicContact CD1-CE2 3.85Å; I79-F83 HydrophobicContact CG1-CD2 4.33Å; I79-F83 HydrophobicContact CG1-CE2 4.46Å; I79-F83 WeakPolarHBondContact O-CD2 3.47Å; I79-F83 PolarHBondContact O-N 3.32Å; E81-F83 PolarHBondContact O-N 3.13Å; F83-D85 PolarHBondContact O-N 2.97Å; F83-L86 WeakPolarHBondContact O-CA 3.22Å; F83-L86 VanDerWaalsContact O-CB 3.27Å; F83-L86 WeakPolarHBondContact O-CB 3.5Å; F83-L86 PolarHBondContact O-N 3.41Å; F83-I87 PolarHBondContact O-N 3.36Å; F83-M90 HydrophobicContact CE1-CE 4.31Å; F83-Y149 HydrophobicContact CE1-CD1 4.39Å; F83-Y149 HydrophobicContact CE1-CD2 4.18Å; F83-Y149 HydrophobicContact CE1-CE2 4.32Å; F83-Y149 HydrophobicContact CE1-CG 4.24Å; F83-Y149 AromaticContact CZ-CD1 3.67Å; F83-Y149 HydrophobicContact CZ-CD1 3.67Å; F83-Y149 HydrophobicContact CZ-CD2 4.27Å; F83-Y149 AromaticContact CZ-CE1 3.84Å; F83-Y149 HydrophobicContact CZ-CE1 3.84Å; F83-Y149 HydrophobicContact CZ-CE2 4.43Å; F83-Y149 AromaticContact CZ-CG 3.9Å; F83-Y149 HydrophobicContact CZ-CG 3.9Å; F83-L173 HydrophobicContact CB-CD1 3.65Å; F83-L173 HydrophobicContact CB-CD2 3.94Å; F83-L173 HydrophobicContact CB-CG 4.46Å; F83-L173 HydrophobicContact CD1-CD1 4.26Å; F83-L173 HydrophobicContact CD2-CD2 3.89Å; F83-L173 HydrophobicContact CG-CD1 3.96Å; F83-L173 HydrophobicContact CG-CD2 3.98Å; F83-I177 HydrophobicContact CD1-CD1 4.28Å; F83-I177 HydrophobicContact CE1-CD1 3.94Å |
| 84 | G | 92.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 38% | 0.381 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 23.7 | -112.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.9 | V80 E81 I87 | V80-G84 WeakPolarHBondContact O-CA 3.33Å; V80-G84 PolarHBondContact O-N 3.28Å; E81-G84 PolarHBondContact O-N 3.26Å; G84-I87 VanDerWaalsContact O-CG2 3.29Å; G84-I87 WeakPolarHBondContact O-CG2 3.4Å |
| 85 | D | 92 | Very high | 93.5 | Very high | 50 Ų | 50 | 42.1 Ų | 42.1 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.4 | 176.4 | 58.8 | -16 | 0 | 0 | 0 | 114.1 | R72 F83 I87 H88 L379 | R72-D85 IonicContact CZ-OD1 2.79Å; R72-D85 VanDerWaalsContact CZ-OD1 3.25Å; R72-D85 IonicContact NH1-OD1 2.63Å; R72-D85 PolarHBondContact NH1-OD1 3.09Å; R72-D85 IonicContact NH2-OD1 3.79Å; R72-D85 PolarHBondContact NH2-OD1 2.76Å; R72-D85 IonicContact NH2-OD2 3.25Å; F83-D85 PolarHBondContact O-N 2.97Å; D85-I87 PolarHBondContact O-N 3.1Å; D85-H88 PolarHBondContact O-N 2.94Å; D85-H88 VanDerWaalsContact O-N 3.16Å; D85-H88 PolarHBondContact O-ND1 3.08Å; D85-L379 WeakPolarHBondContact OD2-CD2 3.47Å |
| 86 | L | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -59.1 | -30 | 179.8 | -63 | 177.2 | 0 | 0 | 0 | 113.1 | V65 V68 L69 F83 H88 F89 M90 L379 | V65-L86 HydrophobicContact CG1-CD2 4.41Å; V68-L86 HydrophobicContact CB-CD1 4.27Å; V68-L86 HydrophobicContact CB-CD2 4.17Å; V68-L86 HydrophobicContact CG1-CD1 4.05Å; V68-L86 HydrophobicContact CG1-CD2 3.91Å; L69-L86 HydrophobicContact CB-CD1 3.78Å; L69-L86 HydrophobicContact CD1-CD1 4.28Å; F83-L86 WeakPolarHBondContact O-CA 3.22Å; F83-L86 VanDerWaalsContact O-CB 3.27Å; F83-L86 WeakPolarHBondContact O-CB 3.5Å; F83-L86 PolarHBondContact O-N 3.41Å; L86-H88 PolarHBondContact O-N 2.61Å; L86-F89 HydrophobicContact CD2-CD2 4.4Å; L86-F89 WeakPolarHBondContact O-CA 3.48Å; L86-F89 PolarHBondContact O-N 3.06Å; L86-M90 WeakPolarHBondContact O-CG 3.48Å; L86-M90 PolarHBondContact O-N 3.41Å; L86-M90 VanDerWaalsContact O-N 3.11Å; L86-L379 HydrophobicContact CD2-CD1 4.48Å |
| 87 | I | 91.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -52.5 | -32.2 | 177 | -165.2 | 62.9 | 0 | 0 | 0 | 113 | F83 G84 D85 M90 L173 Q176 I177 | F83-I87 PolarHBondContact O-N 3.36Å; G84-I87 VanDerWaalsContact O-CG2 3.29Å; G84-I87 WeakPolarHBondContact O-CG2 3.4Å; D85-I87 PolarHBondContact O-N 3.1Å; I87-M90 WeakPolarHBondContact O-CB 3.44Å; I87-M90 PolarHBondContact O-N 3.18Å; I87-L173 HydrophobicContact CD1-CD1 4.48Å; I87-Q176 HydrophobicContact CD1-CB 4.33Å; I87-Q176 HydrophobicContact CG1-CB 4Å; I87-I177 HydrophobicContact CD1-CD1 3.3Å; I87-I177 HydrophobicContact CD1-CG1 3.78Å |
| 88 | H | 90.4 | Very high | 93.2 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -72.9 | -29.9 | 179 | -56.8 | 89.4 | 0 | 0 | 0 | 112.3 | D85 L86 | D85-H88 PolarHBondContact O-N 2.94Å; D85-H88 VanDerWaalsContact O-N 3.16Å; D85-H88 PolarHBondContact O-ND1 3.08Å; L86-H88 PolarHBondContact O-N 2.61Å |
| 89 | F | 92.5 | Very high | 93 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 20% | 0.197 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -82.4 | -19 | 175.9 | -56.1 | -65.7 | 0 | 0 | 0 | 112.4 | V65 L86 K91 L92 L375 | V65-F89 HydrophobicContact CG1-CB 4.19Å; V65-F89 HydrophobicContact CG2-CB 3.75Å; L86-F89 HydrophobicContact CD2-CD2 4.4Å; L86-F89 WeakPolarHBondContact O-CA 3.48Å; L86-F89 PolarHBondContact O-N 3.06Å; F89-K91 PolarHBondContact O-N 3.45Å; F89-L92 WeakPolarHBondContact O-CB 3.38Å; F89-L92 WeakPolarHBondContact O-CD1 3.47Å; F89-L92 WeakPolarHBondContact O-CG 3.46Å; F89-L92 PolarHBondContact O-N 3.14Å; F89-L375 HydrophobicContact CD1-CD1 4.4Å; F89-L375 HydrophobicContact CE1-CD1 3.43Å; F89-L375 VanDerWaalsContact CE1-CD1 3.43Å; F89-L375 HydrophobicContact CE1-CD2 3.51Å; F89-L375 HydrophobicContact CE1-CG 4.05Å; F89-L375 HydrophobicContact CE2-CD2 3.96Å; F89-L375 HydrophobicContact CZ-CD1 3.98Å; F89-L375 HydrophobicContact CZ-CD2 3.14Å; F89-L375 HydrophobicContact CZ-CG 4.15Å |
| 90 | M | 91.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -62.4 | -10.4 | 174 | -62.3 | -67.5 | -176 | 0 | 0 | 113.2 | V65 L69 F83 L86 I87 L92 Y93 Y149 L180 | V65-M90 HydrophobicContact CG1-CE 3.94Å; V65-M90 HydrophobicContact CG1-SD 4Å; L69-M90 HydrophobicContact CD2-CE 3.92Å; F83-M90 HydrophobicContact CE1-CE 4.31Å; L86-M90 WeakPolarHBondContact O-CG 3.48Å; L86-M90 PolarHBondContact O-N 3.41Å; L86-M90 VanDerWaalsContact O-N 3.11Å; I87-M90 WeakPolarHBondContact O-CB 3.44Å; I87-M90 PolarHBondContact O-N 3.18Å; M90-L92 PolarHBondContact O-N 2.87Å; M90-L92 VanDerWaalsContact O-N 3.11Å; M90-Y93 HydrophobicContact CB-CD2 4.4Å; M90-Y93 WeakPolarHBondContact O-CB 3.5Å; M90-Y93 VanDerWaalsContact O-CD2 3.31Å; M90-Y93 WeakPolarHBondContact O-CD2 3.46Å; M90-Y93 PolarHBondContact O-N 3.13Å; M90-Y93 HydrophobicContact SD-CD2 4.05Å; M90-Y93 HydrophobicContact SD-CE2 3.51Å; M90-Y93 VanDerWaalsContact SD-CE2 3.51Å; M90-Y149 HydrophobicContact CE-CE2 4.37Å; M90-L180 HydrophobicContact CB-CD2 3.4Å; M90-L180 VanDerWaalsContact CB-CD2 3.4Å |
| 91 | K | 87 | Confident | 92.6 | Very high | 146 Ų | 146 | 40.8 Ų | 40.8 | 64% | 0.635 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -57.6 | -19.3 | 167.4 | -68.8 | -178.7 | 179.9 | 178.1 | 0 | 113.8 | F89 Y93 T94 | F89-K91 PolarHBondContact O-N 3.45Å; K91-Y93 PolarHBondContact O-N 3.35Å; K91-T94 VanDerWaalsContact O-CB 3.29Å; K91-T94 WeakPolarHBondContact O-CB 3.47Å; K91-T94 PolarHBondContact O-N 3.46Å; K91-T94 VanDerWaalsContact O-N 3.08Å; K91-T94 PolarHBondContact O-OG1 2.87Å |
| 92 | L | 92.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.6 | -34 | 171.7 | -69.9 | 168.6 | 0 | 0 | 0 | 112.4 | I62 V65 F89 M90 T94 A95 Y96 F372 | I62-L92 HydrophobicContact CG1-CB 4.12Å; V65-L92 HydrophobicContact CG2-CD1 3.81Å; F89-L92 WeakPolarHBondContact O-CB 3.38Å; F89-L92 WeakPolarHBondContact O-CD1 3.47Å; F89-L92 WeakPolarHBondContact O-CG 3.46Å; F89-L92 PolarHBondContact O-N 3.14Å; M90-L92 PolarHBondContact O-N 2.87Å; M90-L92 VanDerWaalsContact O-N 3.11Å; L92-T94 VanDerWaalsContact C-N 3.26Å; L92-T94 PolarHBondContact O-N 3.42Å; L92-A95 PolarHBondContact O-N 3.11Å; L92-A95 VanDerWaalsContact O-N 3.16Å; L92-Y96 PolarHBondContact O-N 3.28Å; L92-F372 HydrophobicContact CD1-CE1 4.32Å; L92-F372 HydrophobicContact CD2-CE1 3.92Å; L92-F372 HydrophobicContact CD2-CZ 3.78Å; L92-F372 HydrophobicContact CG-CE1 4.49Å |
| 93 | Y | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -32 | 177.3 | -75.6 | -97.4 | 0 | 0 | 0 | 112.7 | Y26 I62 N66 M90 K91 S97 P142 R145 I146 | Y26-Y93 WeakPolarHBondContact CE1-OH 3.48Å; Y26-Y93 WeakPolarHBondContact OH-CE1 3.48Å; Y26-Y93 PolarHBondContact OH-OH 2.91Å; I62-Y93 HydrophobicContact CG2-CE1 4.01Å; I62-Y93 HydrophobicContact CG2-CE2 3.9Å; I62-Y93 WeakPolarHBondContact CG2-OH 3.43Å; N66-Y93 VanDerWaalsContact CG-OH 3.23Å; N66-Y93 PolarHBondContact ND2-OH 3.37Å; N66-Y93 PolarHBondContact OD1-OH 3.06Å; M90-Y93 HydrophobicContact CB-CD2 4.4Å; M90-Y93 WeakPolarHBondContact O-CB 3.5Å; M90-Y93 VanDerWaalsContact O-CD2 3.31Å; M90-Y93 WeakPolarHBondContact O-CD2 3.46Å; M90-Y93 PolarHBondContact O-N 3.13Å; M90-Y93 HydrophobicContact SD-CD2 4.05Å; M90-Y93 HydrophobicContact SD-CE2 3.51Å; M90-Y93 VanDerWaalsContact SD-CE2 3.51Å; K91-Y93 PolarHBondContact O-N 3.35Å; Y93-S97 WeakPolarHBondContact O-CB 3.34Å; Y93-S97 PolarHBondContact O-N 3.05Å; Y93-S97 PolarHBondContact O-OG 3.2Å; Y93-P142 HydrophobicContact CD1-CB 4.17Å; Y93-P142 WeakPolarHBondContact CD1-O 3.32Å; Y93-P142 HydrophobicContact CE1-CB 3.99Å; Y93-P142 VanDerWaalsContact CE1-O 3.28Å; Y93-P142 WeakPolarHBondContact CE1-O 3.28Å; Y93-R145 HydrophobicContact CE1-CB 3.99Å; Y93-I146 HydrophobicContact CD1-CD1 3.91Å; Y93-I146 HydrophobicContact CD1-CG1 3.62Å; Y93-I146 HydrophobicContact CD2-CD1 3.81Å; Y93-I146 HydrophobicContact CD2-CG1 4.28Å; Y93-I146 HydrophobicContact CE1-CD1 4.12Å; Y93-I146 HydrophobicContact CE1-CG1 4.17Å; Y93-I146 HydrophobicContact CE2-CD1 4.07Å; Y93-I146 HydrophobicContact CG-CD1 3.7Å; Y93-I146 HydrophobicContact CG-CG1 3.64Å |
| 94 | T | 91.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.5 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | K91 L92 R98 T183 C187 | K91-T94 VanDerWaalsContact O-CB 3.29Å; K91-T94 WeakPolarHBondContact O-CB 3.47Å; K91-T94 PolarHBondContact O-N 3.46Å; K91-T94 VanDerWaalsContact O-N 3.08Å; K91-T94 PolarHBondContact O-OG1 2.87Å; L92-T94 VanDerWaalsContact C-N 3.26Å; L92-T94 PolarHBondContact O-N 3.42Å; T94-R98 WeakPolarHBondContact O-CB 3.44Å; T94-R98 PolarHBondContact O-N 3.18Å; T94-T183 HydrophobicContact CG2-CG2 3.87Å; T94-C187 HydrophobicContact CG2-CB 4.14Å; T94-C187 WeakPolarHBondContact CG2-SG 3.41Å |
| 95 | A | 91.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 50% | 0.504 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L92 R98 S99 | L92-A95 PolarHBondContact O-N 3.11Å; L92-A95 VanDerWaalsContact O-N 3.16Å; A95-R98 PolarHBondContact O-N 2.85Å; A95-S99 PolarHBondContact O-N 2.9Å; A95-S99 PolarHBondContact O-OG 2.82Å |
| 96 | Y | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 177.2 | -176.2 | -92.9 | 0 | 0 | 0 | 112.1 | F56 I59 I62 L92 R98 S99 Y100 L139 P142 V143 | F56-Y96 WeakPolarHBondContact O-CE2 2.96Å; I59-Y96 HydrophobicContact CD1-CE2 3.71Å; I59-Y96 HydrophobicContact CG1-CD2 4.06Å; I59-Y96 HydrophobicContact CG1-CE2 3.44Å; I59-Y96 VanDerWaalsContact CG1-CE2 3.44Å; I62-Y96 HydrophobicContact CD1-CD2 4.13Å; I62-Y96 HydrophobicContact CD1-CG 3.86Å; L92-Y96 PolarHBondContact O-N 3.28Å; Y96-R98 VanDerWaalsContact C-N 3.3Å; Y96-R98 PolarHBondContact O-N 3Å; Y96-S99 PolarHBondContact O-N 3.46Å; Y96-S99 VanDerWaalsContact O-N 3.11Å; Y96-S99 PolarHBondContact O-OG 3.34Å; Y96-Y100 HydrophobicContact CE1-CD2 4.16Å; Y96-Y100 PolarHBondContact O-N 3.23Å; Y96-L139 PolarHBondContact OH-O 3.25Å; Y96-P142 HydrophobicContact CD1-CB 3.72Å; Y96-P142 HydrophobicContact CD1-CG 4.12Å; Y96-P142 HydrophobicContact CE1-CB 3.71Å; Y96-P142 HydrophobicContact CE1-CG 3.62Å; Y96-P142 HydrophobicContact CG-CB 4.44Å; Y96-V143 HydrophobicContact CD1-CG2 4.25Å; Y96-V143 HydrophobicContact CE1-CG2 4.21Å |
| 97 | S | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -35.4 | -179.3 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | Y93 S99 Y100 P101 V184 | Y93-S97 WeakPolarHBondContact O-CB 3.34Å; Y93-S97 PolarHBondContact O-N 3.05Å; Y93-S97 PolarHBondContact O-OG 3.2Å; S97-S99 VanDerWaalsContact C-N 3.35Å; S97-S99 PolarHBondContact O-N 3.46Å; S97-Y100 WeakPolarHBondContact O-CB 3.46Å; S97-Y100 PolarHBondContact O-N 2.6Å; S97-P101 WeakPolarHBondContact O-CD 3.43Å; S97-V184 VanDerWaalsContact OG-CG1 3.3Å; S97-V184 WeakPolarHBondContact OG-CG1 3.48Å |
| 98 | R | 91.2 | Very high | 92.8 | Very high | 129 Ų | 129 | 46.6 Ų | 46.6 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 174.1 | -176.3 | -178.7 | -70.2 | 161.1 | -0.4 | 112.4 | T94 A95 Y96 C187 V191 | T94-R98 WeakPolarHBondContact O-CB 3.44Å; T94-R98 PolarHBondContact O-N 3.18Å; A95-R98 PolarHBondContact O-N 2.85Å; Y96-R98 VanDerWaalsContact C-N 3.3Å; Y96-R98 PolarHBondContact O-N 3Å; R98-C187 PolarHBondContact NH2-SG 2.92Å; R98-V191 HydrophobicContact CG-CG2 3.55Å |
| 99 | S | 91.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -81.3 | -16.8 | 177.9 | 47.7 | 0 | 0 | 0 | 0 | 114 | A95 Y96 S97 A102 S103 | A95-S99 PolarHBondContact O-N 2.9Å; A95-S99 PolarHBondContact O-OG 2.82Å; Y96-S99 PolarHBondContact O-N 3.46Å; Y96-S99 VanDerWaalsContact O-N 3.11Å; Y96-S99 PolarHBondContact O-OG 3.34Å; S97-S99 VanDerWaalsContact C-N 3.35Å; S97-S99 PolarHBondContact O-N 3.46Å; S99-A102 PolarHBondContact O-N 3.29Å; S99-A102 VanDerWaalsContact O-N 3.12Å; S99-S103 PolarHBondContact O-N 3.33Å |
| 100 | Y | 93.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.6 | -44.8 | -171.5 | 178 | -98.8 | 0 | 0 | 0 | 114.3 | Y96 S97 A102 S103 Q104 L139 I140 V143 | Y96-Y100 HydrophobicContact CE1-CD2 4.16Å; Y96-Y100 PolarHBondContact O-N 3.23Å; S97-Y100 WeakPolarHBondContact O-CB 3.46Å; S97-Y100 PolarHBondContact O-N 2.6Å; Y100-A102 VanDerWaalsContact C-N 3.32Å; Y100-A102 PolarHBondContact O-N 3.42Å; Y100-S103 WeakPolarHBondContact O-CB 3.19Å; Y100-S103 PolarHBondContact O-N 3.31Å; Y100-Q104 HydrophobicContact CD1-CG 4.28Å; Y100-Q104 HydrophobicContact CD2-CG 4.35Å; Y100-Q104 HydrophobicContact CE1-CG 3.7Å; Y100-Q104 HydrophobicContact CE2-CG 3.78Å; Y100-Q104 VanDerWaalsContact CZ-CG 3.4Å; Y100-Q104 PolarHBondContact O-N 3.17Å; Y100-Q104 PolarHBondContact OH-NE2 3.26Å; Y100-L139 HydrophobicContact CE2-CB 4.2Å; Y100-L139 VanDerWaalsContact CE2-O 3.31Å; Y100-L139 WeakPolarHBondContact CE2-O 3.42Å; Y100-I140 HydrophobicContact CD1-CD1 4.34Å; Y100-I140 HydrophobicContact CE1-CD1 3.5Å; Y100-I140 VanDerWaalsContact CE1-CD1 3.5Å; Y100-I140 HydrophobicContact CE2-CB 4.32Å; Y100-I140 HydrophobicContact CE2-CD1 4.15Å; Y100-I140 WeakPolarHBondContact OH-CB 3.44Å; Y100-I140 WeakPolarHBondContact OH-CD1 3.41Å; Y100-V143 HydrophobicContact CD1-CG2 4.23Å; Y100-V143 HydrophobicContact CD2-CG2 4.11Å; Y100-V143 HydrophobicContact CG-CG2 3.9Å |
| 101 | P | 91.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.5 | -25.4 | 35.2 | 0 | 0 | 0 | 113.3 | S97 Q104 Q105 V191 | S97-P101 WeakPolarHBondContact O-CD 3.43Å; P101-Q104 PolarHBondContact O-N 2.88Å; P101-Q105 PolarHBondContact O-N 3.07Å; P101-V191 HydrophobicContact CG-CG1 4.47Å |
| 102 | A | 91.7 | Very high | 93.9 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 40% | 0.397 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S99 Y100 Q105 L106 | S99-A102 PolarHBondContact O-N 3.29Å; S99-A102 VanDerWaalsContact O-N 3.12Å; Y100-A102 VanDerWaalsContact C-N 3.32Å; Y100-A102 PolarHBondContact O-N 3.42Å; A102-Q105 PolarHBondContact O-N 3.39Å; A102-L106 WeakPolarHBondContact O-CB 3.4Å; A102-L106 PolarHBondContact O-N 3.11Å |
| 103 | S | 95 | Very high | 94.1 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 171.7 | 166.1 | 0 | 0 | 0 | 0 | 111.3 | I54 I55 S99 Y100 Q105 L106 L107 | I54-S103 WeakPolarHBondContact O-CB 3.48Å; I55-S103 WeakPolarHBondContact CA-OG 3.49Å; I55-S103 WeakPolarHBondContact O-CB 3.36Å; I55-S103 PolarHBondContact O-OG 2.9Å; S99-S103 PolarHBondContact O-N 3.33Å; Y100-S103 WeakPolarHBondContact O-CB 3.19Å; Y100-S103 PolarHBondContact O-N 3.31Å; S103-Q105 PolarHBondContact O-N 3.2Å; S103-L106 PolarHBondContact O-N 3.5Å; S103-L107 WeakPolarHBondContact O-CB 3.5Å; S103-L107 PolarHBondContact O-N 2.89Å |
| 104 | Q | 94.1 | Very high | 94.2 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.9 | -68 | -56.8 | -53.6 | 0 | 0 | 112.5 | Y100 P101 L107 A108 | Y100-Q104 HydrophobicContact CD1-CG 4.28Å; Y100-Q104 HydrophobicContact CD2-CG 4.35Å; Y100-Q104 HydrophobicContact CE1-CG 3.7Å; Y100-Q104 HydrophobicContact CE2-CG 3.78Å; Y100-Q104 VanDerWaalsContact CZ-CG 3.4Å; Y100-Q104 PolarHBondContact O-N 3.17Å; Y100-Q104 PolarHBondContact OH-NE2 3.26Å; P101-Q104 PolarHBondContact O-N 2.88Å; Q104-L107 PolarHBondContact O-N 2.87Å; Q104-A108 WeakPolarHBondContact O-CB 3.22Å; Q104-A108 PolarHBondContact O-N 3.37Å |
| 105 | Q | 93.8 | Very high | 94.4 | Very high | 130 Ų | 130 | 56.5 Ų | 56.5 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 176.5 | -173.3 | 178.1 | 15.3 | 0 | 0 | 111.7 | P101 A102 S103 A108 N109 | P101-Q105 PolarHBondContact O-N 3.07Å; A102-Q105 PolarHBondContact O-N 3.39Å; S103-Q105 PolarHBondContact O-N 3.2Å; Q105-A108 PolarHBondContact O-N 3.26Å; Q105-N109 WeakPolarHBondContact O-CB 3.33Å; Q105-N109 PolarHBondContact O-N 2.93Å; Q105-N109 PolarHBondContact O-ND2 3.48Å |
| 106 | L | 96.3 | Very high | 94.6 | Very high | 31 Ų | 31 | 58 Ų | 58 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.9 | 179.8 | 58.5 | 0 | 0 | 0 | 111.5 | D51 I54 I55 A102 S103 A108 N109 L110 | D51-L106 HydrophobicContact CB-CD2 3.92Å; I54-L106 HydrophobicContact CB-CD2 3.71Å; I54-L106 HydrophobicContact CD1-CD2 4.18Å; I54-L106 HydrophobicContact CG2-CB 4.5Å; I54-L106 HydrophobicContact CG2-CD2 3.56Å; I55-L106 HydrophobicContact CG1-CD2 4.07Å; I55-L106 HydrophobicContact CG1-CG 4.28Å; A102-L106 WeakPolarHBondContact O-CB 3.4Å; A102-L106 PolarHBondContact O-N 3.11Å; S103-L106 PolarHBondContact O-N 3.5Å; L106-A108 PolarHBondContact O-N 3.3Å; L106-N109 PolarHBondContact O-N 2.88Å; L106-L110 HydrophobicContact CD1-CD1 3.9Å; L106-L110 HydrophobicContact CD1-CG 3.99Å; L106-L110 HydrophobicContact CG-CD1 3.84Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.06Å |
| 107 | L | 96.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 176.2 | 178.7 | 64 | 0 | 0 | 0 | 111.4 | S103 Q104 L110 R111 F117 L135 L139 | S103-L107 WeakPolarHBondContact O-CB 3.5Å; S103-L107 PolarHBondContact O-N 2.89Å; Q104-L107 PolarHBondContact O-N 2.87Å; L107-L110 PolarHBondContact O-N 3.06Å; L107-R111 WeakPolarHBondContact O-CG 3.32Å; L107-R111 PolarHBondContact O-N 3.42Å; L107-F117 HydrophobicContact CD1-CE1 3.84Å; L107-F117 HydrophobicContact CD1-CZ 3.74Å; L107-L135 HydrophobicContact CD1-CD2 3.85Å; L107-L135 HydrophobicContact CD2-CD2 4.4Å; L107-L135 HydrophobicContact CD2-CG 4.38Å; L107-L139 HydrophobicContact CD2-CD1 3.9Å |
| 108 | A | 96 | Very high | 94.9 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q104 Q105 L106 R111 S112 | Q104-A108 WeakPolarHBondContact O-CB 3.22Å; Q104-A108 PolarHBondContact O-N 3.37Å; Q105-A108 PolarHBondContact O-N 3.26Å; L106-A108 PolarHBondContact O-N 3.3Å; A108-R111 PolarHBondContact O-N 3.45Å; A108-S112 PolarHBondContact O-N 3.24Å; A108-S112 VanDerWaalsContact O-N 3.14Å |
| 109 | N | 96.6 | Very high | 95.2 | Very high | 84 Ų | 84 | 64 Ų | 64 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 177.3 | -71.5 | -16.9 | 0 | 0 | 0 | 111.2 | Q105 L106 R111 S112 S113 | Q105-N109 WeakPolarHBondContact O-CB 3.33Å; Q105-N109 PolarHBondContact O-N 2.93Å; Q105-N109 PolarHBondContact O-ND2 3.48Å; L106-N109 PolarHBondContact O-N 2.88Å; N109-R111 VanDerWaalsContact C-N 3.35Å; N109-R111 PolarHBondContact O-N 3.3Å; N109-S112 PolarHBondContact O-N 3.14Å; N109-S112 PolarHBondContact O-OG 3.25Å; N109-S113 WeakPolarHBondContact O-CB 3.19Å; N109-S113 PolarHBondContact O-N 3.46Å; N109-S113 PolarHBondContact O-OG 2.76Å |
| 110 | L | 96.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | -179.8 | -73.3 | 168.5 | 0 | 0 | 0 | 112.5 | I47 D51 I55 L106 L107 S112 S113 N114 F117 | I47-L110 HydrophobicContact CD1-CD1 4.17Å; I47-L110 HydrophobicContact CG2-CD1 4.28Å; I47-L110 HydrophobicContact CG2-CD2 4.08Å; D51-L110 HydrophobicContact CB-CD1 4.41Å; I55-L110 HydrophobicContact CD1-CD1 3.74Å; L106-L110 HydrophobicContact CD1-CD1 3.9Å; L106-L110 HydrophobicContact CD1-CG 3.99Å; L106-L110 HydrophobicContact CG-CD1 3.84Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.06Å; L107-L110 PolarHBondContact O-N 3.06Å; L110-S112 PolarHBondContact O-N 3.1Å; L110-S113 PolarHBondContact O-N 3.16Å; L110-N114 WeakPolarHBondContact O-CA 3.31Å; L110-N114 WeakPolarHBondContact O-CB 3.43Å; L110-N114 PolarHBondContact O-N 3.2Å; L110-F117 HydrophobicContact CB-CD1 3.61Å; L110-F117 HydrophobicContact CB-CE1 3.66Å; L110-F117 HydrophobicContact CB-CG 4.35Å; L110-F117 HydrophobicContact CB-CZ 4.45Å; L110-F117 HydrophobicContact CD1-CE1 4.49Å |
| 111 | R | 95.4 | Very high | 95.6 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 22% | 0.223 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -30.3 | 174 | -75.8 | -174 | 176 | -161.6 | -4.2 | 112.9 | L107 A108 N109 F117 E125 | L107-R111 WeakPolarHBondContact O-CG 3.32Å; L107-R111 PolarHBondContact O-N 3.42Å; A108-R111 PolarHBondContact O-N 3.45Å; N109-R111 VanDerWaalsContact C-N 3.35Å; N109-R111 PolarHBondContact O-N 3.3Å; R111-F117 HydrophobicContact CG-CD1 4.26Å; R111-F117 HydrophobicContact CG-CE1 3.94Å; R111-E125 IonicContact CZ-OE1 3.14Å; R111-E125 IonicContact NH1-OE1 2.61Å; R111-E125 PolarHBondContact NH1-OE1 3.24Å; R111-E125 IonicContact NH1-OE2 2.75Å; R111-E125 IonicContact NH2-OE1 3.45Å; R111-E125 PolarHBondContact NH2-OE1 3.36Å; R111-E125 IonicContact NH2-OE2 3.73Å |
| 112 | S | 96 | Very high | 95.9 | Very high | 99 Ų | 99 | 64.1 Ų | 64.1 | 69% | 0.692 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -83.3 | -34.8 | 178.2 | 73.6 | 0 | 0 | 0 | 0 | 113.4 | A108 N109 L110 | A108-S112 PolarHBondContact O-N 3.24Å; A108-S112 VanDerWaalsContact O-N 3.14Å; N109-S112 PolarHBondContact O-N 3.14Å; N109-S112 PolarHBondContact O-OG 3.25Å; L110-S112 PolarHBondContact O-N 3.1Å |
| 113 | S | 96.1 | Very high | 96.1 | Very high | 90 Ų | 90 | 67.7 Ų | 67.7 | 63% | 0.629 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -100.2 | -29.1 | -170.7 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | N109 L110 | N109-S113 WeakPolarHBondContact O-CB 3.19Å; N109-S113 PolarHBondContact O-N 3.46Å; N109-S113 PolarHBondContact O-OG 2.76Å; L110-S113 PolarHBondContact O-N 3.16Å |
| 114 | N | 95.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 21% | 0.214 | 35% | 0.346 | C | S | . | . | trans | -112.7 | 105.9 | -176.7 | -177.2 | -23.3 | 0 | 0 | 0 | 110.5 | L46 L110 D116 F117 K118 | L46-N114 PolarHBondContact O-ND2 3.45Å; L110-N114 WeakPolarHBondContact O-CA 3.31Å; L110-N114 WeakPolarHBondContact O-CB 3.43Å; L110-N114 PolarHBondContact O-N 3.2Å; N114-D116 VanDerWaalsContact C-N 3.35Å; N114-D116 PolarHBondContact O-N 2.99Å; N114-D116 PolarHBondContact OD1-N 2.98Å; N114-D116 VanDerWaalsContact OD1-N 3.08Å; N114-F117 HydrophobicContact CB-CB 3.93Å; N114-F117 PolarHBondContact OD1-N 3.22Å; N114-K118 WeakPolarHBondContact O-CB 3.43Å; N114-K118 PolarHBondContact O-N 3.4Å | ||
| 115 | K | 96.2 | Very high | 96.3 | Very high | 166 Ų | 166 | 68 Ų | 68 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -36.5 | -177.8 | -66.3 | -178.1 | -177.5 | 176.9 | 0 | 112.8 | K118 R119 | K115-K118 PolarHBondContact O-N 3.28Å; K115-R119 WeakPolarHBondContact O-CG 3.15Å; K115-R119 PolarHBondContact O-N 3.49Å |
| 116 | D | 96.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.2 | -41.8 | -178.2 | -60.6 | -39.2 | 0 | 0 | 0 | 111 | L46 N114 K118 R119 F120 | L46-D116 HydrophobicContact CD2-CB 4.12Å; N114-D116 VanDerWaalsContact C-N 3.35Å; N114-D116 PolarHBondContact O-N 2.99Å; N114-D116 PolarHBondContact OD1-N 2.98Å; N114-D116 VanDerWaalsContact OD1-N 3.08Å; D116-K118 VanDerWaalsContact C-N 3.32Å; D116-K118 PolarHBondContact O-N 3.45Å; D116-R119 PolarHBondContact O-N 3.33Å; D116-F120 WeakPolarHBondContact O-CB 3.4Å; D116-F120 PolarHBondContact O-N 2.86Å |
| 117 | F | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 171.7 | 178.3 | -100.6 | 0 | 0 | 0 | 112.2 | L41 I47 I55 L107 L110 R111 N114 F120 C121 | L41-F117 HydrophobicContact CD1-CE2 3.8Å; L41-F117 HydrophobicContact CD2-CD2 3.88Å; L41-F117 HydrophobicContact CD2-CE2 3.9Å; I47-F117 HydrophobicContact CD1-CD2 4.22Å; I47-F117 HydrophobicContact CD1-CE2 3.86Å; I47-F117 HydrophobicContact CG2-CB 4.18Å; I47-F117 HydrophobicContact CG2-CD2 3.67Å; I47-F117 HydrophobicContact CG2-CE2 4.33Å; I47-F117 HydrophobicContact CG2-CG 4.05Å; I55-F117 HydrophobicContact CD1-CZ 4.29Å; L107-F117 HydrophobicContact CD1-CE1 3.84Å; L107-F117 HydrophobicContact CD1-CZ 3.74Å; L110-F117 HydrophobicContact CB-CD1 3.61Å; L110-F117 HydrophobicContact CB-CE1 3.66Å; L110-F117 HydrophobicContact CB-CG 4.35Å; L110-F117 HydrophobicContact CB-CZ 4.45Å; L110-F117 HydrophobicContact CD1-CE1 4.49Å; R111-F117 HydrophobicContact CG-CD1 4.26Å; R111-F117 HydrophobicContact CG-CE1 3.94Å; N114-F117 HydrophobicContact CB-CB 3.93Å; N114-F117 PolarHBondContact OD1-N 3.22Å; F117-F120 PolarHBondContact O-N 3.31Å; F117-C121 VanDerWaalsContact CZ-SG 3.6Å; F117-C121 PolarHBondContact O-N 3.05Å; F117-C121 PolarHBondContact O-SG 3.09Å; F117-C121 VanDerWaalsContact O-SG 3.33Å |
| 118 | K | 96.8 | Very high | 96.4 | Very high | 94 Ų | 94 | 73.1 Ų | 73.1 | 41% | 0.409 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -51.6 | 174.7 | 179.8 | -178.9 | 170.9 | 178.5 | 0 | 111.2 | N114 K115 D116 F120 C121 E122 | N114-K118 WeakPolarHBondContact O-CB 3.43Å; N114-K118 PolarHBondContact O-N 3.4Å; K115-K118 PolarHBondContact O-N 3.28Å; D116-K118 VanDerWaalsContact C-N 3.32Å; D116-K118 PolarHBondContact O-N 3.45Å; K118-F120 VanDerWaalsContact C-N 3.32Å; K118-F120 PolarHBondContact O-N 3.09Å; K118-C121 WeakPolarHBondContact O-CB 3.28Å; K118-C121 PolarHBondContact O-N 3.22Å; K118-E122 WeakPolarHBondContact CE-OE1 3.49Å; K118-E122 IonicContact NZ-OE1 3.26Å; K118-E122 WeakPolarHBondContact O-CG 3.36Å; K118-E122 PolarHBondContact O-N 2.7Å |
| 119 | R | 97 | Very high | 96.3 | Very high | 169 Ų | 169 | 72.2 Ų | 72.2 | 64% | 0.638 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 177.5 | -76.2 | 175 | 175.4 | 175.8 | -3.9 | 112.1 | K115 D116 E122 H123 | K115-R119 WeakPolarHBondContact O-CG 3.15Å; K115-R119 PolarHBondContact O-N 3.49Å; D116-R119 PolarHBondContact O-N 3.33Å; R119-E122 PolarHBondContact O-N 2.92Å; R119-H123 VanDerWaalsContact O-CB 3.31Å; R119-H123 WeakPolarHBondContact O-CB 3.29Å; R119-H123 PolarHBondContact O-N 3.06Å |
| 120 | F | 97.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 11% | 0.114 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.4 | -51 | 174.2 | 169.7 | -90.1 | 0 | 0 | 0 | 110.9 | F37 P40 L41 L46 D116 F117 K118 E122 H123 Q124 | F37-F120 HydrophobicContact CD1-CE1 4.17Å; P40-F120 HydrophobicContact CB-CE2 3.9Å; P40-F120 HydrophobicContact CB-CZ 3.84Å; L41-F120 HydrophobicContact CD1-CE1 3.89Å; L41-F120 HydrophobicContact CD2-CD1 3.76Å; L41-F120 HydrophobicContact CD2-CE1 3.65Å; L41-F120 HydrophobicContact CD2-CG 4.36Å; L41-F120 HydrophobicContact CD2-CZ 4.13Å; L41-F120 HydrophobicContact CG-CD1 4.2Å; L41-F120 HydrophobicContact CG-CE1 3.56Å; L41-F120 HydrophobicContact CG-CZ 3.89Å; L46-F120 HydrophobicContact CD1-CB 3.72Å; L46-F120 HydrophobicContact CD1-CD2 3.76Å; L46-F120 HydrophobicContact CD1-CG 3.76Å; D116-F120 WeakPolarHBondContact O-CB 3.4Å; D116-F120 PolarHBondContact O-N 2.86Å; F117-F120 PolarHBondContact O-N 3.31Å; K118-F120 VanDerWaalsContact C-N 3.32Å; K118-F120 PolarHBondContact O-N 3.09Å; F120-E122 PolarHBondContact O-N 2.64Å; F120-H123 PolarHBondContact O-N 3.13Å; F120-Q124 HydrophobicContact CD1-CG 4.32Å; F120-Q124 HydrophobicContact CD2-CG 4.28Å; F120-Q124 HydrophobicContact CE1-CG 3.88Å; F120-Q124 HydrophobicContact CE2-CG 3.85Å; F120-Q124 VanDerWaalsContact CE2-NE2 3.32Å; F120-Q124 HydrophobicContact CG-CG 4.49Å; F120-Q124 HydrophobicContact CZ-CG 3.61Å; F120-Q124 VanDerWaalsContact O-CG 3.28Å; F120-Q124 WeakPolarHBondContact O-CG 3.48Å; F120-Q124 PolarHBondContact O-N 3.18Å |
| 121 | C | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 178 | -71.5 | 0 | 0 | 0 | 0 | 111.7 | F117 K118 H123 Q124 E125 | F117-C121 VanDerWaalsContact CZ-SG 3.6Å; F117-C121 PolarHBondContact O-N 3.05Å; F117-C121 PolarHBondContact O-SG 3.09Å; F117-C121 VanDerWaalsContact O-SG 3.33Å; K118-C121 WeakPolarHBondContact O-CB 3.28Å; K118-C121 PolarHBondContact O-N 3.22Å; C121-H123 VanDerWaalsContact C-N 3.29Å; C121-H123 PolarHBondContact O-N 3Å; C121-Q124 PolarHBondContact O-N 3.26Å; C121-E125 WeakPolarHBondContact O-CB 3.44Å; C121-E125 WeakPolarHBondContact O-CG 3.46Å; C121-E125 PolarHBondContact O-N 3.33Å |
| 122 | E | 96 | Very high | 96 | Very high | 90 Ų | 90 | 74.5 Ų | 74.5 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | -179.8 | -71.5 | 171.1 | 165.7 | 0 | 0 | 111.4 | K118 R119 F120 C126 | K118-E122 WeakPolarHBondContact CE-OE1 3.49Å; K118-E122 IonicContact NZ-OE1 3.26Å; K118-E122 WeakPolarHBondContact O-CG 3.36Å; K118-E122 PolarHBondContact O-N 2.7Å; R119-E122 PolarHBondContact O-N 2.92Å; F120-E122 PolarHBondContact O-N 2.64Å; E122-C126 PolarHBondContact O-N 3.33Å; E122-C126 PolarHBondContact O-SG 3.25Å |
| 123 | H | 96.7 | Very high | 96 | Very high | 123 Ų | 123 | 72.3 Ų | 72.3 | 57% | 0.569 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.4 | -48.3 | 176.7 | -179.1 | 72.8 | 0 | 0 | 0 | 112.1 | R119 F120 C121 E125 C126 | R119-H123 VanDerWaalsContact O-CB 3.31Å; R119-H123 WeakPolarHBondContact O-CB 3.29Å; R119-H123 PolarHBondContact O-N 3.06Å; F120-H123 PolarHBondContact O-N 3.13Å; C121-H123 VanDerWaalsContact C-N 3.29Å; C121-H123 PolarHBondContact O-N 3Å; H123-E125 PolarHBondContact O-N 3.02Å; H123-C126 PolarHBondContact O-N 3.47Å |
| 124 | Q | 96.8 | Very high | 96 | Very high | 26 Ų | 26 | 74 Ų | 74 | 12% | 0.121 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 178.8 | -63 | -64.7 | -12.1 | 0 | 0 | 111.9 | Y36 F37 F120 C121 C126 L127 | Y36-Q124 VanDerWaalsContact O-CG 3.25Å; Y36-Q124 WeakPolarHBondContact O-CG 3.44Å; Y36-Q124 PolarHBondContact O-OE1 3.25Å; F37-Q124 HydrophobicContact CD1-CB 4.1Å; F37-Q124 HydrophobicContact CD1-CG 4.43Å; F37-Q124 HydrophobicContact CE1-CB 3.53Å; F37-Q124 HydrophobicContact CE1-CG 4.32Å; F37-Q124 HydrophobicContact CZ-CB 3.86Å; F120-Q124 HydrophobicContact CD1-CG 4.32Å; F120-Q124 HydrophobicContact CD2-CG 4.28Å; F120-Q124 HydrophobicContact CE1-CG 3.88Å; F120-Q124 HydrophobicContact CE2-CG 3.85Å; F120-Q124 VanDerWaalsContact CE2-NE2 3.32Å; F120-Q124 HydrophobicContact CG-CG 4.49Å; F120-Q124 HydrophobicContact CZ-CG 3.61Å; F120-Q124 VanDerWaalsContact O-CG 3.28Å; F120-Q124 WeakPolarHBondContact O-CG 3.48Å; F120-Q124 PolarHBondContact O-N 3.18Å; C121-Q124 PolarHBondContact O-N 3.26Å; Q124-C126 PolarHBondContact O-N 2.88Å; Q124-L127 WeakPolarHBondContact O-CB 3.37Å; Q124-L127 WeakPolarHBondContact O-CG 3.31Å; Q124-L127 PolarHBondContact O-N 3.43Å; Q124-L127 VanDerWaalsContact O-N 3.14Å |
| 125 | E | 96.6 | Very high | 96 | Very high | 28 Ų | 28 | 72.1 Ų | 72.1 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.6 | -22.2 | 177.7 | -72.4 | 178 | 166.7 | 0 | 0 | 113.1 | F37 R111 C121 H123 K134 L135 | F37-E125 HydrophobicContact CE1-CG 4.26Å; F37-E125 HydrophobicContact CZ-CG 4.01Å; R111-E125 IonicContact CZ-OE1 3.14Å; R111-E125 IonicContact NH1-OE1 2.61Å; R111-E125 PolarHBondContact NH1-OE1 3.24Å; R111-E125 IonicContact NH1-OE2 2.75Å; R111-E125 IonicContact NH2-OE1 3.45Å; R111-E125 PolarHBondContact NH2-OE1 3.36Å; R111-E125 IonicContact NH2-OE2 3.73Å; C121-E125 WeakPolarHBondContact O-CB 3.44Å; C121-E125 WeakPolarHBondContact O-CG 3.46Å; C121-E125 PolarHBondContact O-N 3.33Å; H123-E125 PolarHBondContact O-N 3.02Å; E125-K134 WeakPolarHBondContact OE1-CA 3.3Å; E125-K134 WeakPolarHBondContact OE1-CB 3.38Å; E125-L135 PolarHBondContact OE1-N 2.7Å |
| 126 | C | 96.2 | Very high | 95.9 | Very high | 104 Ų | 104 | 66.3 Ų | 66.3 | 70% | 0.703 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -8.7 | 174.9 | -67.5 | 0 | 0 | 0 | 0 | 113.9 | E122 H123 Q124 | E122-C126 PolarHBondContact O-N 3.33Å; E122-C126 PolarHBondContact O-SG 3.25Å; H123-C126 PolarHBondContact O-N 3.47Å; Q124-C126 PolarHBondContact O-N 2.88Å |
| 127 | L | 96.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -66.7 | 136.5 | -178.2 | -67.9 | 176.3 | 0 | 0 | 0 | 110.8 | Y36 Q124 A129 L130 | Y36-L127 HydrophobicContact CD1-CD1 3.47Å; Y36-L127 VanDerWaalsContact CD1-CD1 3.47Å; Y36-L127 HydrophobicContact CE1-CD1 3.78Å; Y36-L127 HydrophobicContact CG-CD1 4.42Å; Q124-L127 WeakPolarHBondContact O-CB 3.37Å; Q124-L127 WeakPolarHBondContact O-CG 3.31Å; Q124-L127 PolarHBondContact O-N 3.43Å; Q124-L127 VanDerWaalsContact O-N 3.14Å; L127-A129 PolarHBondContact O-N 2.95Å; L127-A129 VanDerWaalsContact O-N 3.08Å; L127-L130 HydrophobicContact CB-CD2 4.17Å; L127-L130 WeakPolarHBondContact O-CB 3.3Å; L127-L130 PolarHBondContact O-N 3.18Å |
| 128 | P | 95.8 | Very high | 96 | Very high | 121 Ų | 121 | 64 Ų | 64 | 79% | 0.786 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -55.5 | -32.4 | 179.4 | -27.2 | 34.5 | 0 | 0 | 0 | 113.6 | L130 K131 | P128-L130 PolarHBondContact O-N 2.95Å; P128-K131 PolarHBondContact O-N 3.1Å; P128-K131 VanDerWaalsContact O-N 3.1Å |
| 129 | A | 94.7 | Very high | 96 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -59.4 | -25.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M32 Y36 L127 K131 | M32-A129 VanDerWaalsContact CE-O 3.26Å; M32-A129 WeakPolarHBondContact CE-O 3.42Å; Y36-A129 HydrophobicContact CE1-CB 4.31Å; Y36-A129 HydrophobicContact CE2-CB 3.93Å; Y36-A129 WeakPolarHBondContact OH-CB 3.35Å; L127-A129 PolarHBondContact O-N 2.95Å; L127-A129 VanDerWaalsContact O-N 3.08Å; A129-K131 VanDerWaalsContact C-N 3.3Å |
| 130 | L | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -81.9 | -7.9 | -179.4 | -83.5 | -70.8 | 0 | 0 | 0 | 112.9 | M32 Y36 F37 L127 P128 G132 L133 L138 | M32-L130 HydrophobicContact CB-CD1 4.07Å; M32-L130 HydrophobicContact CG-CD1 4.35Å; M32-L130 HydrophobicContact SD-CD1 4.18Å; Y36-L130 HydrophobicContact CD1-CD2 4.22Å; Y36-L130 HydrophobicContact CD2-CD2 3.55Å; Y36-L130 HydrophobicContact CE2-CD2 4Å; Y36-L130 HydrophobicContact CG-CD2 3.69Å; F37-L130 HydrophobicContact CE2-CD1 3.79Å; F37-L130 HydrophobicContact CE2-CG 4.47Å; F37-L130 HydrophobicContact CZ-CD1 4.3Å; L127-L130 HydrophobicContact CB-CD2 4.17Å; L127-L130 WeakPolarHBondContact O-CB 3.3Å; L127-L130 PolarHBondContact O-N 3.18Å; P128-L130 PolarHBondContact O-N 2.95Å; L130-G132 PolarHBondContact O-N 3.34Å; L130-L133 VanDerWaalsContact O-CB 3.23Å; L130-L133 WeakPolarHBondContact O-CB 3.49Å; L130-L133 WeakPolarHBondContact O-CG 3.44Å; L130-L133 PolarHBondContact O-N 3.08Å; L130-L138 HydrophobicContact CD1-CD1 3.61Å |
| 131 | K | 93.6 | Very high | 95.9 | Very high | 141 Ų | 141 | 52.9 Ų | 52.9 | 61% | 0.613 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.7 | 177.1 | -53.7 | 173.8 | -174.8 | 171.1 | 0 | 112.7 | E28 M32 P128 A129 L133 | E28-K131 IonicContact OE2-NZ 2.95Å; E28-K131 PolarHBondContact OE2-NZ 2.7Å; M32-K131 HydrophobicContact CE-CD 4.32Å; P128-K131 PolarHBondContact O-N 3.1Å; P128-K131 VanDerWaalsContact O-N 3.1Å; A129-K131 VanDerWaalsContact C-N 3.3Å; K131-L133 VanDerWaalsContact C-N 3.29Å; K131-L133 PolarHBondContact O-N 3.29Å |
| 132 | G | 93.2 | Very high | 95.9 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 4.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L130 | L130-G132 PolarHBondContact O-N 3.34Š|
| 133 | L | 95.1 | Very high | 95.7 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | trans | -75.5 | 131.3 | 177.8 | -63 | 170.5 | 0 | 0 | 0 | 111.1 | M32 L130 K131 L138 | M32-L133 HydrophobicContact SD-CD1 4.45Å; L130-L133 VanDerWaalsContact O-CB 3.23Å; L130-L133 WeakPolarHBondContact O-CB 3.49Å; L130-L133 WeakPolarHBondContact O-CG 3.44Å; L130-L133 PolarHBondContact O-N 3.08Å; K131-L133 VanDerWaalsContact C-N 3.29Å; K131-L133 PolarHBondContact O-N 3.29Å; L133-L138 HydrophobicContact CB-CD2 4.24Å; L133-L138 HydrophobicContact CB-CG 4.27Å; L133-L138 HydrophobicContact CD1-CD2 3.86Å | ||
| 134 | K | 95.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 48.8 Ų | 48.8 | 55% | 0.548 | 29% | 0.288 | S | S | . | . | trans | -83.4 | 156.1 | 173.3 | -63.9 | -173.3 | -180 | -178.9 | 0 | 111.2 | E125 S136 A137 L138 | E125-K134 WeakPolarHBondContact OE1-CA 3.3Å; E125-K134 WeakPolarHBondContact OE1-CB 3.38Å; K134-S136 VanDerWaalsContact C-N 3.27Å; K134-S136 PolarHBondContact O-N 3.27Å; K134-A137 WeakPolarHBondContact O-CB 3.4Å; K134-A137 PolarHBondContact O-N 3.06Å; K134-L138 PolarHBondContact O-N 3.15Å; K134-L138 VanDerWaalsContact O-N 3.1Å | ||
| 135 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 178.9 | 179.4 | 55.2 | 0 | 0 | 0 | 112.4 | F37 F56 L107 E125 A137 L138 L139 | F37-L135 HydrophobicContact CB-CD1 4.08Å; F37-L135 HydrophobicContact CD1-CB 4.32Å; F37-L135 HydrophobicContact CD1-CD1 3.96Å; F37-L135 HydrophobicContact CD1-CD2 3.76Å; F37-L135 HydrophobicContact CD1-CG 4.23Å; F37-L135 HydrophobicContact CD2-CD1 3.75Å; F37-L135 HydrophobicContact CE1-CB 3.92Å; F37-L135 HydrophobicContact CE1-CD1 4.28Å; F37-L135 HydrophobicContact CE1-CD2 4.13Å; F37-L135 HydrophobicContact CE1-CG 4.33Å; F37-L135 HydrophobicContact CE2-CD1 4.07Å; F37-L135 HydrophobicContact CG-CD1 3.67Å; F37-L135 HydrophobicContact CG-CD2 4.23Å; F37-L135 HydrophobicContact CG-CG 4.43Å; F37-L135 HydrophobicContact CZ-CB 4.02Å; F37-L135 HydrophobicContact CZ-CD1 4.33Å; F56-L135 HydrophobicContact CE1-CD1 4.06Å; L107-L135 HydrophobicContact CD1-CD2 3.85Å; L107-L135 HydrophobicContact CD2-CD2 4.4Å; L107-L135 HydrophobicContact CD2-CG 4.38Å; E125-L135 PolarHBondContact OE1-N 2.7Å; L135-A137 VanDerWaalsContact C-N 3.3Å; L135-A137 PolarHBondContact O-N 3.01Å; L135-L138 PolarHBondContact O-N 3.19Å; L135-L139 HydrophobicContact CD1-CD1 4.11Å; L135-L139 HydrophobicContact CD1-CG 4.03Å; L135-L139 HydrophobicContact CG-CD1 3.95Å; L135-L139 HydrophobicContact CG-CG 4.34Å; L135-L139 WeakPolarHBondContact O-CG 3.46Å; L135-L139 PolarHBondContact O-N 2.95Å |
| 136 | S | 95 | Very high | 95.6 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.6 | -36.2 | 177.1 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | K134 I140 | K134-S136 VanDerWaalsContact C-N 3.27Å; K134-S136 PolarHBondContact O-N 3.27Å; S136-I140 PolarHBondContact O-N 2.81Å |
| 137 | A | 95.7 | Very high | 95.5 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.9 | -31.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K134 L135 I140 | K134-A137 WeakPolarHBondContact O-CB 3.4Å; K134-A137 PolarHBondContact O-N 3.06Å; L135-A137 VanDerWaalsContact C-N 3.3Å; L135-A137 PolarHBondContact O-N 3.01Å; A137-I140 WeakPolarHBondContact O-CG2 3.48Å |
| 138 | L | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.1 | -42.8 | 173.7 | -67.9 | 171.5 | 0 | 0 | 0 | 111.9 | H29 M32 I33 F37 L130 L133 K134 L135 I140 T141 | H29-L138 HydrophobicContact CB-CD2 3.83Å; M32-L138 HydrophobicContact CB-CD1 4.08Å; M32-L138 HydrophobicContact SD-CD2 4.34Å; I33-L138 HydrophobicContact CD1-CB 3.88Å; I33-L138 HydrophobicContact CG1-CB 3.57Å; I33-L138 HydrophobicContact CG1-CD1 4.17Å; I33-L138 HydrophobicContact CG1-CG 4.4Å; F37-L138 HydrophobicContact CE2-CD1 4.06Å; L130-L138 HydrophobicContact CD1-CD1 3.61Å; L133-L138 HydrophobicContact CB-CD2 4.24Å; L133-L138 HydrophobicContact CB-CG 4.27Å; L133-L138 HydrophobicContact CD1-CD2 3.86Å; K134-L138 PolarHBondContact O-N 3.15Å; K134-L138 VanDerWaalsContact O-N 3.1Å; L135-L138 PolarHBondContact O-N 3.19Å; L138-I140 VanDerWaalsContact C-N 3.27Å; L138-I140 PolarHBondContact O-N 3.36Å; L138-T141 WeakPolarHBondContact O-CB 3.44Å; L138-T141 VanDerWaalsContact O-CG2 3.32Å; L138-T141 WeakPolarHBondContact O-CG2 3.3Å; L138-T141 PolarHBondContact O-N 3.48Å; L138-T141 VanDerWaalsContact O-N 3.09Å; L138-T141 PolarHBondContact O-OG1 3.11Å |
| 139 | L | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -23.7 | -176.2 | -71.6 | 172.1 | 0 | 0 | 0 | 113.9 | I33 I55 F56 I59 Y96 Y100 L107 L135 T141 P142 | I33-L139 HydrophobicContact CD1-CD2 4.49Å; I33-L139 HydrophobicContact CG2-CD2 4.25Å; I55-L139 HydrophobicContact CG2-CD1 4.06Å; F56-L139 HydrophobicContact CD1-CD2 3.99Å; F56-L139 HydrophobicContact CE1-CD2 4.38Å; I59-L139 HydrophobicContact CD1-CD2 3.95Å; Y96-L139 PolarHBondContact OH-O 3.25Å; Y100-L139 HydrophobicContact CE2-CB 4.2Å; Y100-L139 VanDerWaalsContact CE2-O 3.31Å; Y100-L139 WeakPolarHBondContact CE2-O 3.42Å; L107-L139 HydrophobicContact CD2-CD1 3.9Å; L135-L139 HydrophobicContact CD1-CD1 4.11Å; L135-L139 HydrophobicContact CD1-CG 4.03Å; L135-L139 HydrophobicContact CG-CD1 3.95Å; L135-L139 HydrophobicContact CG-CG 4.34Å; L135-L139 WeakPolarHBondContact O-CG 3.46Å; L135-L139 PolarHBondContact O-N 2.95Å; L139-T141 VanDerWaalsContact C-N 3.3Å; L139-P142 WeakPolarHBondContact O-CD 3.25Å |
| 140 | I | 95.7 | Very high | 95.6 | Very high | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.205 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19.4 | 175.7 | -170.9 | 62.9 | 0 | 0 | 0 | 112.6 | Y100 S136 A137 L138 P142 V143 Q144 | Y100-I140 HydrophobicContact CD1-CD1 4.34Å; Y100-I140 HydrophobicContact CE1-CD1 3.5Å; Y100-I140 VanDerWaalsContact CE1-CD1 3.5Å; Y100-I140 HydrophobicContact CE2-CB 4.32Å; Y100-I140 HydrophobicContact CE2-CD1 4.15Å; Y100-I140 WeakPolarHBondContact OH-CB 3.44Å; Y100-I140 WeakPolarHBondContact OH-CD1 3.41Å; S136-I140 PolarHBondContact O-N 2.81Å; A137-I140 WeakPolarHBondContact O-CG2 3.48Å; L138-I140 VanDerWaalsContact C-N 3.27Å; L138-I140 PolarHBondContact O-N 3.36Å; I140-P142 VanDerWaalsContact C-CD 3.49Å; I140-V143 HydrophobicContact CD1-CB 3.92Å; I140-V143 HydrophobicContact CD1-CG1 4.24Å; I140-V143 HydrophobicContact CD1-CG2 4.26Å; I140-V143 WeakPolarHBondContact O-CB 3.49Å; I140-V143 PolarHBondContact O-N 3.33Å; I140-Q144 HydrophobicContact CG1-CG 4.03Å; I140-Q144 PolarHBondContact O-N 2.91Å |
| 141 | T | 96.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -38.1 | -171.4 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | H29 L138 L139 V143 Q144 R145 | H29-T141 HydrophobicContact CB-CG2 4.45Å; L138-T141 WeakPolarHBondContact O-CB 3.44Å; L138-T141 VanDerWaalsContact O-CG2 3.32Å; L138-T141 WeakPolarHBondContact O-CG2 3.3Å; L138-T141 PolarHBondContact O-N 3.48Å; L138-T141 VanDerWaalsContact O-N 3.09Å; L138-T141 PolarHBondContact O-OG1 3.11Å; L139-T141 VanDerWaalsContact C-N 3.3Å; T141-V143 PolarHBondContact O-N 3Å; T141-Q144 PolarHBondContact O-N 3.04Å; T141-R145 PolarHBondContact O-N 2.89Å |
| 142 | P | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -36.9 | 176.3 | -19.5 | 34.4 | 0 | 0 | 0 | 112.7 | Y26 L30 I62 Y93 Y96 L139 I140 Q144 R145 | Y26-P142 WeakPolarHBondContact OH-CA 3.44Å; Y26-P142 WeakPolarHBondContact OH-CB 3.19Å; L30-P142 HydrophobicContact CD2-CG 4.09Å; I62-P142 HydrophobicContact CD1-CB 4.24Å; Y93-P142 HydrophobicContact CD1-CB 4.17Å; Y93-P142 WeakPolarHBondContact CD1-O 3.32Å; Y93-P142 HydrophobicContact CE1-CB 3.99Å; Y93-P142 VanDerWaalsContact CE1-O 3.28Å; Y93-P142 WeakPolarHBondContact CE1-O 3.28Å; Y96-P142 HydrophobicContact CD1-CB 3.72Å; Y96-P142 HydrophobicContact CD1-CG 4.12Å; Y96-P142 HydrophobicContact CE1-CB 3.71Å; Y96-P142 HydrophobicContact CE1-CG 3.62Å; Y96-P142 HydrophobicContact CG-CB 4.44Å; L139-P142 WeakPolarHBondContact O-CD 3.25Å; I140-P142 VanDerWaalsContact C-CD 3.49Å; P142-Q144 PolarHBondContact O-N 2.93Å; P142-R145 PolarHBondContact O-N 3.04Å |
| 143 | V | 93.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -34.7 | 176.7 | -178 | 0 | 0 | 0 | 0 | 110.7 | Y96 Y100 I140 T141 P147 I188 | Y96-V143 HydrophobicContact CD1-CG2 4.25Å; Y96-V143 HydrophobicContact CE1-CG2 4.21Å; Y100-V143 HydrophobicContact CD1-CG2 4.23Å; Y100-V143 HydrophobicContact CD2-CG2 4.11Å; Y100-V143 HydrophobicContact CG-CG2 3.9Å; I140-V143 HydrophobicContact CD1-CB 3.92Å; I140-V143 HydrophobicContact CD1-CG1 4.24Å; I140-V143 HydrophobicContact CD1-CG2 4.26Å; I140-V143 WeakPolarHBondContact O-CB 3.49Å; I140-V143 PolarHBondContact O-N 3.33Å; T141-V143 PolarHBondContact O-N 3Å; V143-P147 VanDerWaalsContact O-CD 3.28Å; V143-P147 WeakPolarHBondContact O-CD 3.48Å; V143-I188 HydrophobicContact CG1-CD1 4Å |
| 144 | Q | 95.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 36.8 Ų | 36.8 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81.1 | -24 | 179.6 | -68.4 | 170.4 | -21.5 | 0 | 0 | 114 | I140 T141 P142 I146 P147 R148 | I140-Q144 HydrophobicContact CG1-CG 4.03Å; I140-Q144 PolarHBondContact O-N 2.91Å; T141-Q144 PolarHBondContact O-N 3.04Å; P142-Q144 PolarHBondContact O-N 2.93Å; Q144-I146 PolarHBondContact O-N 3.47Å; Q144-P147 WeakPolarHBondContact O-CD 3.33Å; Q144-R148 PolarHBondContact O-N 3.18Å; Q144-R148 VanDerWaalsContact O-N 3.13Å |
| 145 | R | 96.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | -172.8 | -169.5 | 66.4 | -177.2 | 155.6 | 7.6 | 112.8 | S22 E23 Y26 Y93 T141 P142 R148 Y149 | S22-R145 PolarHBondContact O-NH1 3.43Å; S22-R145 PolarHBondContact OG-NH1 2.75Å; S22-R145 PolarHBondContact OG-NH2 3.45Å; E23-R145 VanDerWaalsContact N-NH2 3.18Å; E23-R145 IonicContact OE2-CZ 2.94Å; E23-R145 VanDerWaalsContact OE2-CZ 3.22Å; E23-R145 IonicContact OE2-NE 3.22Å; E23-R145 PolarHBondContact OE2-NE 3.36Å; E23-R145 VanDerWaalsContact OE2-NE 3.1Å; E23-R145 IonicContact OE2-NH2 3.1Å; E23-R145 PolarHBondContact OE2-NH2 3.31Å; Y26-R145 HydrophobicContact CD1-CG 3.83Å; Y26-R145 HydrophobicContact CD2-CB 4.48Å; Y26-R145 HydrophobicContact CD2-CG 4.4Å; Y26-R145 HydrophobicContact CE1-CB 4.25Å; Y26-R145 HydrophobicContact CE1-CG 3.74Å; Y26-R145 HydrophobicContact CE2-CB 4.11Å; Y26-R145 HydrophobicContact CE2-CG 4.33Å; Y26-R145 HydrophobicContact CG-CG 4.16Å; Y93-R145 HydrophobicContact CE1-CB 3.99Å; T141-R145 PolarHBondContact O-N 2.89Å; P142-R145 PolarHBondContact O-N 3.04Å; R145-R148 WeakPolarHBondContact O-CB 3.28Å; R145-R148 PolarHBondContact O-N 2.87Å; R145-R148 VanDerWaalsContact O-N 3.13Å; R145-Y149 HydrophobicContact CG-CD2 4.41Å; R145-Y149 HydrophobicContact CG-CE1 4.4Å; R145-Y149 HydrophobicContact CG-CE2 3.7Å; R145-Y149 PolarHBondContact NE-OH 3.07Å; R145-Y149 VanDerWaalsContact NH2-CE1 3.34Å; R145-Y149 PolarHBondContact O-N 3.44Å |
| 146 | I | 94.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -49.2 | 179.5 | -59.1 | -54.9 | 0 | 0 | 0 | 112.2 | Y93 Q144 R148 Y149 K150 L180 A181 | Y93-I146 HydrophobicContact CD1-CD1 3.91Å; Y93-I146 HydrophobicContact CD1-CG1 3.62Å; Y93-I146 HydrophobicContact CD2-CD1 3.81Å; Y93-I146 HydrophobicContact CD2-CG1 4.28Å; Y93-I146 HydrophobicContact CE1-CD1 4.12Å; Y93-I146 HydrophobicContact CE1-CG1 4.17Å; Y93-I146 HydrophobicContact CE2-CD1 4.07Å; Y93-I146 HydrophobicContact CG-CD1 3.7Å; Y93-I146 HydrophobicContact CG-CG1 3.64Å; Q144-I146 PolarHBondContact O-N 3.47Å; I146-R148 PolarHBondContact O-N 3.14Å; I146-Y149 HydrophobicContact CD1-CD2 4.04Å; I146-Y149 HydrophobicContact CD1-CE2 4.17Å; I146-Y149 PolarHBondContact O-N 3.31Å; I146-K150 PolarHBondContact O-N 2.89Å; I146-L180 HydrophobicContact CD1-CD2 3.8Å; I146-L180 HydrophobicContact CG1-CD2 4.29Å; I146-L180 HydrophobicContact CG2-CB 4.48Å; I146-L180 HydrophobicContact CG2-CD2 4.13Å; I146-L180 HydrophobicContact CG2-CG 4.09Å; I146-A181 HydrophobicContact CG2-CB 3.85Å |
| 147 | P | 94.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 39% | 0.39 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -54.5 | -37.6 | 169.6 | -28.5 | 33.9 | 0 | 0 | 0 | 113.8 | V143 Q144 K150 L151 | V143-P147 VanDerWaalsContact O-CD 3.28Å; V143-P147 WeakPolarHBondContact O-CD 3.48Å; Q144-P147 WeakPolarHBondContact O-CD 3.33Å; P147-K150 WeakPolarHBondContact O-CB 3.13Å; P147-K150 PolarHBondContact O-N 3.49Å; P147-L151 PolarHBondContact O-N 3.29Å; P147-L151 VanDerWaalsContact O-N 3.16Å |
| 148 | R | 96.9 | Very high | 96.1 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.7 | -175.4 | 56.8 | 161.6 | 140.3 | 0.5 | 112.4 | E18 Q144 R145 I146 K150 L151 L152 | E18-R148 IonicContact OE1-CZ 2.63Å; E18-R148 IonicContact OE1-NH1 3.2Å; E18-R148 PolarHBondContact OE1-NH1 2.69Å; E18-R148 IonicContact OE1-NH2 2.75Å; E18-R148 PolarHBondContact OE1-NH2 3.11Å; Q144-R148 PolarHBondContact O-N 3.18Å; Q144-R148 VanDerWaalsContact O-N 3.13Å; R145-R148 WeakPolarHBondContact O-CB 3.28Å; R145-R148 PolarHBondContact O-N 2.87Å; R145-R148 VanDerWaalsContact O-N 3.13Å; I146-R148 PolarHBondContact O-N 3.14Å; R148-K150 VanDerWaalsContact C-N 3.31Å; R148-K150 PolarHBondContact O-N 3.4Å; R148-L151 PolarHBondContact O-N 3.31Å; R148-L152 HydrophobicContact CG-CD1 3.93Å; R148-L152 WeakPolarHBondContact O-CG 3.44Å; R148-L152 PolarHBondContact O-N 3.33Å; R148-L152 VanDerWaalsContact O-N 3.07Å |
| 149 | Y | 97.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 173.3 | -65.2 | -44.7 | 0 | 0 | 0 | 112.3 | E23 N66 L69 F83 M90 R145 I146 L151 L152 L153 I177 | E23-Y149 PolarHBondContact OE1-OH 3.45Å; E23-Y149 PolarHBondContact OE2-OH 3.27Å; N66-Y149 PolarHBondContact ND2-OH 2.58Å; L69-Y149 HydrophobicContact CD2-CE1 4.19Å; L69-Y149 WeakPolarHBondContact CD2-OH 3.44Å; F83-Y149 HydrophobicContact CE1-CD1 4.39Å; F83-Y149 HydrophobicContact CE1-CD2 4.18Å; F83-Y149 HydrophobicContact CE1-CE2 4.32Å; F83-Y149 HydrophobicContact CE1-CG 4.24Å; F83-Y149 AromaticContact CZ-CD1 3.67Å; F83-Y149 HydrophobicContact CZ-CD1 3.67Å; F83-Y149 HydrophobicContact CZ-CD2 4.27Å; F83-Y149 AromaticContact CZ-CE1 3.84Å; F83-Y149 HydrophobicContact CZ-CE1 3.84Å; F83-Y149 HydrophobicContact CZ-CE2 4.43Å; F83-Y149 AromaticContact CZ-CG 3.9Å; F83-Y149 HydrophobicContact CZ-CG 3.9Å; M90-Y149 HydrophobicContact CE-CE2 4.37Å; R145-Y149 HydrophobicContact CG-CD2 4.41Å; R145-Y149 HydrophobicContact CG-CE1 4.4Å; R145-Y149 HydrophobicContact CG-CE2 3.7Å; R145-Y149 PolarHBondContact NE-OH 3.07Å; R145-Y149 VanDerWaalsContact NH2-CE1 3.34Å; R145-Y149 PolarHBondContact O-N 3.44Å; I146-Y149 HydrophobicContact CD1-CD2 4.04Å; I146-Y149 HydrophobicContact CD1-CE2 4.17Å; I146-Y149 PolarHBondContact O-N 3.31Å; Y149-L151 VanDerWaalsContact C-N 3.3Å; Y149-L151 PolarHBondContact O-N 2.98Å; Y149-L152 PolarHBondContact O-N 2.85Å; Y149-L153 WeakPolarHBondContact O-CB 3.33Å; Y149-L153 VanDerWaalsContact O-CG 3.32Å; Y149-L153 WeakPolarHBondContact O-CG 3.41Å; Y149-L153 PolarHBondContact O-N 3.25Å; Y149-I177 HydrophobicContact CD2-CD1 4.39Å |
| 150 | K | 96 | Very high | 95.7 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 176.5 | -173.7 | -177.9 | 176.4 | 174.4 | 0 | 111.5 | I146 P147 R148 G154 L174 I177 S178 | I146-K150 PolarHBondContact O-N 2.89Å; P147-K150 WeakPolarHBondContact O-CB 3.13Å; P147-K150 PolarHBondContact O-N 3.49Å; R148-K150 VanDerWaalsContact C-N 3.31Å; R148-K150 PolarHBondContact O-N 3.4Å; K150-G154 PolarHBondContact O-N 2.88Å; K150-L174 HydrophobicContact CB-CD1 4.37Å; K150-L174 HydrophobicContact CG-CD1 3.74Å; K150-L174 WeakPolarHBondContact O-CD1 3.09Å; K150-I177 HydrophobicContact CB-CG2 4.01Å; K150-S178 WeakPolarHBondContact CE-OG 3.43Å |
| 151 | L | 96.9 | Very high | 95.5 | Very high | 111 Ų | 111 | 43.5 Ų | 43.5 | 58% | 0.581 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.8 | -48.5 | 179.1 | -66.4 | 174.6 | 0 | 0 | 0 | 111.9 | P147 R148 Y149 G154 Q155 | P147-L151 PolarHBondContact O-N 3.29Å; P147-L151 VanDerWaalsContact O-N 3.16Å; R148-L151 PolarHBondContact O-N 3.31Å; Y149-L151 VanDerWaalsContact C-N 3.3Å; Y149-L151 PolarHBondContact O-N 2.98Å; L151-G154 PolarHBondContact O-N 3.35Å; L151-Q155 WeakPolarHBondContact O-CG 3.41Å; L151-Q155 PolarHBondContact O-N 3.11Å |
| 152 | L | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | -177.8 | -67.8 | 166.4 | 0 | 0 | 0 | 111.9 | V15 E18 I19 R148 Y149 G154 Q155 M156 | V15-L152 WeakPolarHBondContact CG1-O 3.44Å; E18-L152 HydrophobicContact CB-CD2 4.24Å; E18-L152 HydrophobicContact CG-CD2 3.67Å; E18-L152 VanDerWaalsContact OE1-CD2 3.31Å; E18-L152 WeakPolarHBondContact OE1-CD2 3.21Å; I19-L152 HydrophobicContact CB-CD1 4.46Å; I19-L152 HydrophobicContact CD1-CB 4.08Å; I19-L152 HydrophobicContact CG1-CB 3.67Å; I19-L152 HydrophobicContact CG1-CD1 3.73Å; I19-L152 HydrophobicContact CG1-CD2 4.32Å; I19-L152 HydrophobicContact CG1-CG 4.11Å; R148-L152 HydrophobicContact CG-CD1 3.93Å; R148-L152 WeakPolarHBondContact O-CG 3.44Å; R148-L152 PolarHBondContact O-N 3.33Å; R148-L152 VanDerWaalsContact O-N 3.07Å; Y149-L152 PolarHBondContact O-N 2.85Å; L152-G154 VanDerWaalsContact C-N 3.31Å; L152-G154 PolarHBondContact O-N 2.67Å; L152-Q155 WeakPolarHBondContact O-CB 3.41Å; L152-Q155 PolarHBondContact O-N 2.9Å; L152-M156 PolarHBondContact O-N 3.07Å |
| 153 | L | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 175.9 | -69.7 | 170.4 | 0 | 0 | 0 | 112.3 | I79 Y149 M156 L157 V170 L173 L174 I177 | I79-L153 HydrophobicContact CG1-CD2 3.84Å; Y149-L153 WeakPolarHBondContact O-CB 3.33Å; Y149-L153 VanDerWaalsContact O-CG 3.32Å; Y149-L153 WeakPolarHBondContact O-CG 3.41Å; Y149-L153 PolarHBondContact O-N 3.25Å; L153-M156 HydrophobicContact CD2-SD 4.27Å; L153-M156 PolarHBondContact O-N 3.44Å; L153-L157 PolarHBondContact O-N 3.45Å; L153-L157 VanDerWaalsContact O-N 3.13Å; L153-V170 HydrophobicContact CD2-CG1 4.34Å; L153-L173 HydrophobicContact CD1-CD2 4.02Å; L153-L173 HydrophobicContact CD1-CG 3.87Å; L153-L173 HydrophobicContact CD2-CD2 3.74Å; L153-L173 HydrophobicContact CD2-CG 4.4Å; L153-L174 HydrophobicContact CB-CB 4.34Å; L153-L174 HydrophobicContact CB-CD1 3.95Å; L153-I177 HydrophobicContact CD1-CB 4.32Å; L153-I177 HydrophobicContact CD1-CG1 3.87Å |
| 154 | G | 97.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | K150 L151 L152 L157 N158 | K150-G154 PolarHBondContact O-N 2.88Å; L151-G154 PolarHBondContact O-N 3.35Å; L152-G154 VanDerWaalsContact C-N 3.31Å; L152-G154 PolarHBondContact O-N 2.67Å; G154-L157 PolarHBondContact O-N 3.37Å; G154-N158 PolarHBondContact O-N 3.31Å |
| 155 | Q | 96.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 59 Ų | 59 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 173.5 | -71 | 169.1 | -30.7 | 0 | 0 | 111.9 | V15 L151 L152 L157 N158 | V15-Q155 HydrophobicContact CG1-CB 4.13Å; V15-Q155 HydrophobicContact CG2-CB 4.2Å; L151-Q155 WeakPolarHBondContact O-CG 3.41Å; L151-Q155 PolarHBondContact O-N 3.11Å; L152-Q155 WeakPolarHBondContact O-CB 3.41Å; L152-Q155 PolarHBondContact O-N 2.9Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; Q155-L157 PolarHBondContact O-N 2.86Å; Q155-N158 PolarHBondContact O-N 3.32Å |
| 156 | M | 95.9 | Very high | 95 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 174.3 | -63.9 | -174.6 | 103.4 | 0 | 0 | 111.9 | L12 V15 Y16 I19 I79 L152 L153 N158 V159 L160 V170 | L12-M156 HydrophobicContact CD1-CB 4.11Å; L12-M156 HydrophobicContact CD1-CE 3.74Å; L12-M156 HydrophobicContact CD1-CG 4.24Å; L12-M156 HydrophobicContact CG-CE 4.39Å; V15-M156 HydrophobicContact CB-CG 3.95Å; V15-M156 HydrophobicContact CG1-CB 4.45Å; V15-M156 HydrophobicContact CG1-CG 3.3Å; V15-M156 HydrophobicContact CG1-SD 4.38Å; Y16-M156 HydrophobicContact CD2-CE 4.23Å; I19-M156 HydrophobicContact CD1-SD 3.71Å; I79-M156 HydrophobicContact CB-CE 4.2Å; I79-M156 HydrophobicContact CB-SD 4.23Å; I79-M156 HydrophobicContact CG1-CE 4.44Å; I79-M156 HydrophobicContact CG1-SD 3.92Å; I79-M156 HydrophobicContact CG2-CE 4.12Å; I79-M156 HydrophobicContact CG2-SD 4.02Å; L152-M156 PolarHBondContact O-N 3.07Å; L153-M156 HydrophobicContact CD2-SD 4.27Å; L153-M156 PolarHBondContact O-N 3.44Å; M156-N158 VanDerWaalsContact C-N 3.3Å; M156-N158 PolarHBondContact O-N 3.48Å; M156-V159 PolarHBondContact O-N 2.98Å; M156-V159 VanDerWaalsContact O-N 3.16Å; M156-L160 WeakPolarHBondContact O-CG 3.45Å; M156-L160 PolarHBondContact O-N 3.35Å; M156-L160 VanDerWaalsContact O-N 3.13Å; M156-V170 HydrophobicContact CB-CG1 4.33Å |
| 157 | L | 95.6 | Very high | 95.1 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.094 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -34.7 | 178 | -72.6 | -178.7 | 0 | 0 | 0 | 113.3 | L153 G154 Q155 V159 L160 Y167 V170 A171 L174 | L153-L157 PolarHBondContact O-N 3.45Å; L153-L157 VanDerWaalsContact O-N 3.13Å; G154-L157 PolarHBondContact O-N 3.37Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; Q155-L157 PolarHBondContact O-N 2.86Å; L157-V159 PolarHBondContact O-N 3.11Å; L157-L160 HydrophobicContact CD2-CD1 4.38Å; L157-L160 PolarHBondContact O-N 2.82Å; L157-Y167 HydrophobicContact CB-CE2 4.06Å; L157-Y167 HydrophobicContact CD2-CD2 3.69Å; L157-Y167 HydrophobicContact CD2-CE2 3.82Å; L157-Y167 HydrophobicContact CD2-CG 4.1Å; L157-Y167 WeakPolarHBondContact CD2-O 3.42Å; L157-Y167 HydrophobicContact CG-CE2 4.44Å; L157-V170 HydrophobicContact CD2-CB 3.73Å; L157-V170 HydrophobicContact CD2-CG1 3.63Å; L157-V170 HydrophobicContact CG-CB 4.49Å; L157-V170 HydrophobicContact CG-CG1 3.86Å; L157-A171 HydrophobicContact CD1-CB 4.12Å; L157-A171 HydrophobicContact CD2-CB 4.14Å; L157-L174 HydrophobicContact CD1-CB 4.39Å; L157-L174 HydrophobicContact CD1-CD2 3.43Å; L157-L174 VanDerWaalsContact CD1-CD2 3.43Å |
| 158 | N | 94.3 | Very high | 95.2 | Very high | 144 Ų | 144 | 68.3 Ų | 68.3 | 77% | 0.77 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.7 | -18.9 | 178 | -67.2 | -21.2 | 0 | 0 | 0 | 113.2 | G154 Q155 M156 | G154-N158 PolarHBondContact O-N 3.31Å; Q155-N158 PolarHBondContact O-N 3.32Å; M156-N158 VanDerWaalsContact C-N 3.3Å; M156-N158 PolarHBondContact O-N 3.48Å |
| 159 | V | 92.9 | Very high | 95.2 | Very high | 28 Ų | 28 | 67.5 Ų | 67.5 | 17% | 0.17 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -97.5 | -29.5 | 178.7 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | E8 M11 L12 M156 L157 | E8-V159 HydrophobicContact CB-CG1 4.25Å; E8-V159 VanDerWaalsContact O-CG1 3.23Å; E8-V159 WeakPolarHBondContact O-CG1 3.31Å; M11-V159 HydrophobicContact CB-CG1 3.79Å; M11-V159 HydrophobicContact CB-CG2 3.96Å; M11-V159 HydrophobicContact SD-CG2 4.45Å; L12-V159 HydrophobicContact CB-CG1 4.29Å; M156-V159 PolarHBondContact O-N 2.98Å; M156-V159 VanDerWaalsContact O-N 3.16Å; L157-V159 PolarHBondContact O-N 3.11Å |
| 160 | L | 93 | Very high | 95.2 | Very high | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -76 | 139 | -177.1 | -72.6 | 168.8 | 0 | 0 | 0 | 112 | L12 M156 L157 E162 Q166 Y167 V170 | L12-L160 HydrophobicContact CD1-CD2 4.21Å; L12-L160 HydrophobicContact CD1-CG 4.21Å; L12-L160 HydrophobicContact CD2-CD2 3.94Å; M156-L160 WeakPolarHBondContact O-CG 3.45Å; M156-L160 PolarHBondContact O-N 3.35Å; M156-L160 VanDerWaalsContact O-N 3.13Å; L157-L160 HydrophobicContact CD2-CD1 4.38Å; L157-L160 PolarHBondContact O-N 2.82Å; L160-E162 PolarHBondContact O-N 3.28Å; L160-Q166 HydrophobicContact CD1-CG 3.95Å; L160-Q166 HydrophobicContact CD2-CB 4.16Å; L160-Q166 HydrophobicContact CD2-CG 3.79Å; L160-Y167 HydrophobicContact CB-CD2 3.93Å; L160-V170 HydrophobicContact CD1-CB 4.13Å; L160-V170 HydrophobicContact CD1-CG1 4.47Å; L160-V170 HydrophobicContact CD1-CG2 3.87Å |
| 161 | N | 92.2 | Very high | 95.2 | Very high | 101 Ų | 101 | 64.9 Ų | 64.9 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | trans | -62.9 | 123.2 | 171.2 | -178.7 | -25.5 | 0 | 0 | 0 | 110.6 | N163 S164 Y167 | N161-N163 PolarHBondContact O-N 3.49Å; N161-N163 VanDerWaalsContact O-N 3.07Å; N161-N163 WeakPolarHBondContact OD1-CB 3.49Å; N161-N163 PolarHBondContact OD1-N 3.3Å; N161-S164 WeakPolarHBondContact O-CB 3.38Å; N161-S164 PolarHBondContact O-N 3.42Å; N161-S164 PolarHBondContact O-OG 2.95Å; N161-Y167 WeakPolarHBondContact O-CB 3.38Å | ||
| 162 | E | 92.9 | Very high | 95.2 | Very high | 139 Ų | 139 | 65.8 Ų | 65.8 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.6 | -177.5 | -62.5 | -174.5 | 168.4 | 0 | 0 | 113.9 | L160 S164 Y167 | L160-E162 PolarHBondContact O-N 3.28Å; E162-S164 VanDerWaalsContact C-N 3.33Å; E162-Y167 HydrophobicContact CB-CE1 4.37Å; E162-Y167 HydrophobicContact CB-CE2 4.47Å; E162-Y167 HydrophobicContact CG-CD2 4.44Å; E162-Y167 HydrophobicContact CG-CE1 4.46Å; E162-Y167 HydrophobicContact CG-CE2 3.95Å; E162-Y167 WeakPolarHBondContact O-CD1 3.43Å |
| 163 | N | 92.8 | Very high | 95.2 | Very high | 142 Ų | 142 | 66 Ų | 66 | 76% | 0.759 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -9.2 | 179.4 | -63.5 | -55.1 | 0 | 0 | 0 | 113.4 | N161 | N161-N163 PolarHBondContact O-N 3.49Å; N161-N163 VanDerWaalsContact O-N 3.07Å; N161-N163 WeakPolarHBondContact OD1-CB 3.49Å; N161-N163 PolarHBondContact OD1-N 3.3Å |
| 164 | S | 93.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 67.3 Ų | 67.3 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -73.6 | 153 | -176.2 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | N161 E162 Q166 Y167 R168 | N161-S164 WeakPolarHBondContact O-CB 3.38Å; N161-S164 PolarHBondContact O-N 3.42Å; N161-S164 PolarHBondContact O-OG 2.95Å; E162-S164 VanDerWaalsContact C-N 3.33Å; S164-Q166 PolarHBondContact O-N 3.15Å; S164-Y167 VanDerWaalsContact OG-CB 3.28Å; S164-Y167 WeakPolarHBondContact OG-CB 3.18Å; S164-Y167 PolarHBondContact OG-N 3.47Å; S164-R168 PolarHBondContact O-N 3.23Å |
| 165 | K | 94.6 | Very high | 95.2 | Very high | 152 Ų | 152 | 70.8 Ų | 70.8 | 66% | 0.661 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.2 | -39 | 169.8 | -177.4 | -175.4 | 174.8 | -170.8 | 0 | 110.8 | R168 L169 | K165-R168 PolarHBondContact O-N 3.5Å; K165-L169 HydrophobicContact CG-CD1 4.12Å; K165-L169 WeakPolarHBondContact O-CG 3.19Å; K165-L169 PolarHBondContact O-N 3.41Å; K165-L169 VanDerWaalsContact O-N 3.14Å |
| 166 | Q | 93.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 70.5 Ų | 70.5 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | -178.6 | -170 | 61.8 | 14.4 | 0 | 0 | 111.9 | D78 L160 S164 R168 L169 V170 | D78-Q166 PolarHBondContact OD1-NE2 3.49Å; D78-Q166 PolarHBondContact OD2-NE2 3.31Å; L160-Q166 HydrophobicContact CD1-CG 3.95Å; L160-Q166 HydrophobicContact CD2-CB 4.16Å; L160-Q166 HydrophobicContact CD2-CG 3.79Å; S164-Q166 PolarHBondContact O-N 3.15Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.14Å; Q166-L169 PolarHBondContact O-N 3.37Å; Q166-L169 VanDerWaalsContact O-N 3.12Å; Q166-V170 HydrophobicContact CG-CG2 4.28Å; Q166-V170 WeakPolarHBondContact O-CG2 3.2Å; Q166-V170 PolarHBondContact O-N 3.22Å |
| 167 | Y | 96.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.2 | -48.2 | 175.3 | -177.8 | -87.7 | 0 | 0 | 0 | 111.6 | L157 L160 N161 E162 S164 L169 V170 A171 | L157-Y167 HydrophobicContact CB-CE2 4.06Å; L157-Y167 HydrophobicContact CD2-CD2 3.69Å; L157-Y167 HydrophobicContact CD2-CE2 3.82Å; L157-Y167 HydrophobicContact CD2-CG 4.1Å; L157-Y167 WeakPolarHBondContact CD2-O 3.42Å; L157-Y167 HydrophobicContact CG-CE2 4.44Å; L160-Y167 HydrophobicContact CB-CD2 3.93Å; N161-Y167 WeakPolarHBondContact O-CB 3.38Å; E162-Y167 HydrophobicContact CB-CE1 4.37Å; E162-Y167 HydrophobicContact CB-CE2 4.47Å; E162-Y167 HydrophobicContact CG-CD2 4.44Å; E162-Y167 HydrophobicContact CG-CE1 4.46Å; E162-Y167 HydrophobicContact CG-CE2 3.95Å; E162-Y167 WeakPolarHBondContact O-CD1 3.43Å; S164-Y167 VanDerWaalsContact OG-CB 3.28Å; S164-Y167 WeakPolarHBondContact OG-CB 3.18Å; S164-Y167 PolarHBondContact OG-N 3.47Å; Y167-L169 VanDerWaalsContact C-N 3.33Å; Y167-L169 PolarHBondContact O-N 3.18Å; Y167-V170 PolarHBondContact O-N 2.93Å; Y167-A171 WeakPolarHBondContact O-CB 3.49Å; Y167-A171 PolarHBondContact O-N 3.13Å |
| 168 | R | 96.8 | Very high | 95.2 | Very high | 161 Ų | 161 | 70.3 Ų | 70.3 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62 | -37.7 | 178.4 | -72.1 | -177.3 | -79.9 | 142.8 | -10.1 | 113.2 | S164 K165 Q166 K172 | S164-R168 PolarHBondContact O-N 3.23Å; K165-R168 PolarHBondContact O-N 3.5Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.14Å; R168-K172 PolarHBondContact O-N 3.13Å; R168-K172 VanDerWaalsContact O-N 3.16Å |
| 169 | L | 96.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 34% | 0.335 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.8 | -45.4 | 179.2 | -66.8 | 171.5 | 0 | 0 | 0 | 111.7 | V80 K165 Q166 Y167 A171 K172 L173 | V80-L169 HydrophobicContact CG1-CB 4.33Å; V80-L169 HydrophobicContact CG2-CB 3.89Å; K165-L169 HydrophobicContact CG-CD1 4.12Å; K165-L169 WeakPolarHBondContact O-CG 3.19Å; K165-L169 PolarHBondContact O-N 3.41Å; K165-L169 VanDerWaalsContact O-N 3.14Å; Q166-L169 PolarHBondContact O-N 3.37Å; Q166-L169 VanDerWaalsContact O-N 3.12Å; Y167-L169 VanDerWaalsContact C-N 3.33Å; Y167-L169 PolarHBondContact O-N 3.18Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 2.86Å; L169-K172 PolarHBondContact O-N 3.03Å; L169-L173 PolarHBondContact O-N 3.48Å |
| 170 | V | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | I79 V80 L153 M156 L157 L160 Q166 Y167 K172 L173 L174 | I79-V170 HydrophobicContact CG2-CG2 3.86Å; V80-V170 HydrophobicContact CG2-CG2 3.9Å; L153-V170 HydrophobicContact CD2-CG1 4.34Å; M156-V170 HydrophobicContact CB-CG1 4.33Å; L157-V170 HydrophobicContact CD2-CB 3.73Å; L157-V170 HydrophobicContact CD2-CG1 3.63Å; L157-V170 HydrophobicContact CG-CB 4.49Å; L157-V170 HydrophobicContact CG-CG1 3.86Å; L160-V170 HydrophobicContact CD1-CB 4.13Å; L160-V170 HydrophobicContact CD1-CG1 4.47Å; L160-V170 HydrophobicContact CD1-CG2 3.87Å; Q166-V170 HydrophobicContact CG-CG2 4.28Å; Q166-V170 WeakPolarHBondContact O-CG2 3.2Å; Q166-V170 PolarHBondContact O-N 3.22Å; Y167-V170 PolarHBondContact O-N 2.93Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 3.3Å; V170-L173 PolarHBondContact O-N 3.15Å; V170-L174 WeakPolarHBondContact O-CB 3.39Å; V170-L174 PolarHBondContact O-N 3.45Å |
| 171 | A | 97.5 | Very high | 95.2 | Very high | 31 Ų | 31 | 69.4 Ų | 69.4 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L157 Y167 L169 L174 E175 | L157-A171 HydrophobicContact CD1-CB 4.12Å; L157-A171 HydrophobicContact CD2-CB 4.14Å; Y167-A171 WeakPolarHBondContact O-CB 3.49Å; Y167-A171 PolarHBondContact O-N 3.13Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 2.86Å; A171-L174 PolarHBondContact O-N 2.7Å; A171-E175 PolarHBondContact O-N 3.31Å |
| 172 | K | 97 | Very high | 95.2 | Very high | 130 Ų | 130 | 69.7 Ų | 69.7 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 173.8 | -174.3 | 178.6 | 179.4 | -179.2 | 0 | 112.1 | R168 L169 V170 E175 Q176 | R168-K172 PolarHBondContact O-N 3.13Å; R168-K172 VanDerWaalsContact O-N 3.16Å; L169-K172 PolarHBondContact O-N 3.03Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 3.3Å; K172-E175 WeakPolarHBondContact O-CB 3.46Å; K172-E175 PolarHBondContact O-N 3.39Å; K172-Q176 WeakPolarHBondContact O-CG 3.29Å; K172-Q176 PolarHBondContact O-N 2.68Å; K172-Q176 VanDerWaalsContact O-N 3.13Å |
| 173 | L | 96.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 175 | 175.4 | 61.5 | 0 | 0 | 0 | 111.5 | V80 F83 I87 L153 L169 V170 E175 Q176 I177 | V80-L173 HydrophobicContact CG2-CD2 4.46Å; F83-L173 HydrophobicContact CB-CD1 3.65Å; F83-L173 HydrophobicContact CB-CD2 3.94Å; F83-L173 HydrophobicContact CB-CG 4.46Å; F83-L173 HydrophobicContact CD1-CD1 4.26Å; F83-L173 HydrophobicContact CD2-CD2 3.89Å; F83-L173 HydrophobicContact CG-CD1 3.96Å; F83-L173 HydrophobicContact CG-CD2 3.98Å; I87-L173 HydrophobicContact CD1-CD1 4.48Å; L153-L173 HydrophobicContact CD1-CD2 4.02Å; L153-L173 HydrophobicContact CD1-CG 3.87Å; L153-L173 HydrophobicContact CD2-CD2 3.74Å; L153-L173 HydrophobicContact CD2-CG 4.4Å; L169-L173 PolarHBondContact O-N 3.48Å; V170-L173 PolarHBondContact O-N 3.15Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 2.89Å; L173-Q176 WeakPolarHBondContact O-CB 3.18Å; L173-Q176 PolarHBondContact O-N 3.33Å; L173-Q176 VanDerWaalsContact O-N 3.15Å; L173-I177 HydrophobicContact CD1-CG1 4.33Å; L173-I177 PolarHBondContact O-N 3.32Å |
| 174 | L | 97 | Very high | 94.9 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 176.6 | 177.3 | 61.7 | 0 | 0 | 0 | 111.8 | K150 L153 L157 V170 A171 I177 S178 | K150-L174 HydrophobicContact CB-CD1 4.37Å; K150-L174 HydrophobicContact CG-CD1 3.74Å; K150-L174 WeakPolarHBondContact O-CD1 3.09Å; L153-L174 HydrophobicContact CB-CB 4.34Å; L153-L174 HydrophobicContact CB-CD1 3.95Å; L157-L174 HydrophobicContact CD1-CB 4.39Å; L157-L174 HydrophobicContact CD1-CD2 3.43Å; L157-L174 VanDerWaalsContact CD1-CD2 3.43Å; V170-L174 WeakPolarHBondContact O-CB 3.39Å; V170-L174 PolarHBondContact O-N 3.45Å; A171-L174 PolarHBondContact O-N 2.7Å; L174-I177 PolarHBondContact O-N 3.05Å; L174-S178 VanDerWaalsContact O-CB 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.4Å; L174-S178 PolarHBondContact O-N 2.86Å; L174-S178 PolarHBondContact O-OG 3.14Å |
| 175 | E | 96.9 | Very high | 94.7 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 174 | -172.5 | -171.2 | 177.1 | 0 | 0 | 111.3 | A171 K172 L173 S178 R179 | A171-E175 PolarHBondContact O-N 3.31Å; K172-E175 WeakPolarHBondContact O-CB 3.46Å; K172-E175 PolarHBondContact O-N 3.39Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 2.89Å; E175-S178 PolarHBondContact O-N 2.92Å; E175-R179 WeakPolarHBondContact O-CG 3.22Å; E175-R179 PolarHBondContact O-N 3.06Å; E175-R179 IonicContact OE1-CZ 3.88Å; E175-R179 IonicContact OE1-NE 2.67Å; E175-R179 IonicContact OE1-NH1 3.33Å; E175-R179 IonicContact OE1-NH2 3.45Å; E175-R179 PolarHBondContact OE1-NH2 3.16Å |
| 176 | Q | 95.8 | Very high | 94.5 | Very high | 70 Ų | 70 | 59.5 Ų | 59.5 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.5 | -67.3 | 176.1 | -63.9 | 0 | 0 | 112.3 | I87 K172 L173 S178 R179 L180 | I87-Q176 HydrophobicContact CD1-CB 4.33Å; I87-Q176 HydrophobicContact CG1-CB 4Å; K172-Q176 WeakPolarHBondContact O-CG 3.29Å; K172-Q176 PolarHBondContact O-N 2.68Å; K172-Q176 VanDerWaalsContact O-N 3.13Å; L173-Q176 WeakPolarHBondContact O-CB 3.18Å; L173-Q176 PolarHBondContact O-N 3.33Å; L173-Q176 VanDerWaalsContact O-N 3.15Å; Q176-S178 VanDerWaalsContact C-N 3.34Å; Q176-R179 PolarHBondContact O-N 3.47Å; Q176-L180 PolarHBondContact O-N 2.99Å; Q176-L180 VanDerWaalsContact O-N 3.07Å |
| 177 | I | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 175.7 | -71 | -72.7 | 0 | 0 | 0 | 111.1 | F83 I87 Y149 K150 L153 L173 L174 L180 A181 | F83-I177 HydrophobicContact CD1-CD1 4.28Å; F83-I177 HydrophobicContact CE1-CD1 3.94Å; I87-I177 HydrophobicContact CD1-CD1 3.3Å; I87-I177 HydrophobicContact CD1-CG1 3.78Å; Y149-I177 HydrophobicContact CD2-CD1 4.39Å; K150-I177 HydrophobicContact CB-CG2 4.01Å; L153-I177 HydrophobicContact CD1-CB 4.32Å; L153-I177 HydrophobicContact CD1-CG1 3.87Å; L173-I177 HydrophobicContact CD1-CG1 4.33Å; L173-I177 PolarHBondContact O-N 3.32Å; L174-I177 PolarHBondContact O-N 3.05Å; I177-L180 WeakPolarHBondContact O-CB 3.33Å; I177-L180 PolarHBondContact O-N 3.35Å; I177-A181 WeakPolarHBondContact O-CB 3.29Å; I177-A181 PolarHBondContact O-N 2.98Å |
| 178 | S | 95.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 56 Ų | 56 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | K150 L174 E175 Q176 L180 A181 E182 | K150-S178 WeakPolarHBondContact CE-OG 3.43Å; L174-S178 VanDerWaalsContact O-CB 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.4Å; L174-S178 PolarHBondContact O-N 2.86Å; L174-S178 PolarHBondContact O-OG 3.14Å; E175-S178 PolarHBondContact O-N 2.92Å; Q176-S178 VanDerWaalsContact C-N 3.34Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.32Å; S178-A181 WeakPolarHBondContact O-CB 3.36Å; S178-A181 PolarHBondContact O-N 3.38Å; S178-E182 WeakPolarHBondContact O-CG 3.21Å; S178-E182 PolarHBondContact O-N 2.83Å |
| 179 | R | 94.6 | Very high | 93.3 | Very high | 145 Ų | 145 | 49.9 Ų | 49.9 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 174 | -73 | 175.2 | 177.1 | 170.9 | 2.1 | 112.3 | E175 Q176 T183 | E175-R179 WeakPolarHBondContact O-CG 3.22Å; E175-R179 PolarHBondContact O-N 3.06Å; E175-R179 IonicContact OE1-CZ 3.88Å; E175-R179 IonicContact OE1-NE 2.67Å; E175-R179 IonicContact OE1-NH1 3.33Å; E175-R179 IonicContact OE1-NH2 3.45Å; E175-R179 PolarHBondContact OE1-NH2 3.16Å; Q176-R179 PolarHBondContact O-N 3.47Å; R179-T183 WeakPolarHBondContact O-CB 3.29Å; R179-T183 PolarHBondContact O-N 3.15Å; R179-T183 PolarHBondContact O-OG1 3.37Å |
| 180 | L | 93.2 | Very high | 92.9 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.2 | 179.5 | 64.8 | 0 | 0 | 0 | 111.6 | M90 I146 Q176 I177 S178 E182 T183 V184 | M90-L180 HydrophobicContact CB-CD2 3.4Å; M90-L180 VanDerWaalsContact CB-CD2 3.4Å; I146-L180 HydrophobicContact CD1-CD2 3.8Å; I146-L180 HydrophobicContact CG1-CD2 4.29Å; I146-L180 HydrophobicContact CG2-CB 4.48Å; I146-L180 HydrophobicContact CG2-CD2 4.13Å; I146-L180 HydrophobicContact CG2-CG 4.09Å; Q176-L180 PolarHBondContact O-N 2.99Å; Q176-L180 VanDerWaalsContact O-N 3.07Å; I177-L180 WeakPolarHBondContact O-CB 3.33Å; I177-L180 PolarHBondContact O-N 3.35Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.32Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3.31Å; L180-T183 WeakPolarHBondContact O-CB 3.3Å; L180-T183 PolarHBondContact O-N 3.36Å; L180-V184 WeakPolarHBondContact O-CG2 3.27Å; L180-V184 PolarHBondContact O-N 3.2Å |
| 181 | A | 92.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I146 I177 S178 V184 N185 | I146-A181 HydrophobicContact CG2-CB 3.85Å; I177-A181 WeakPolarHBondContact O-CB 3.29Å; I177-A181 PolarHBondContact O-N 2.98Å; S178-A181 WeakPolarHBondContact O-CB 3.36Å; S178-A181 PolarHBondContact O-N 3.38Å; A181-V184 PolarHBondContact O-N 2.87Å; A181-N185 WeakPolarHBondContact O-CB 3.29Å; A181-N185 PolarHBondContact O-N 3.43Å |
| 182 | E | 92.9 | Very high | 92.2 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 173.6 | -73.8 | 165 | -164.8 | 0 | 0 | 111.2 | S178 L180 V184 N185 D186 | S178-E182 WeakPolarHBondContact O-CG 3.21Å; S178-E182 PolarHBondContact O-N 2.83Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3.31Å; E182-V184 VanDerWaalsContact C-N 3.31Å; E182-V184 PolarHBondContact O-N 3.18Å; E182-N185 PolarHBondContact O-N 2.91Å; E182-D186 WeakPolarHBondContact O-CB 3.47Å; E182-D186 PolarHBondContact O-N 3.46Å |
| 183 | T | 91 | Very high | 92 | Very high | 66 Ų | 66 | 51.1 Ų | 51.1 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.3 | -57.2 | 0 | 0 | 0 | 0 | 112 | T94 R179 L180 C187 | T94-T183 HydrophobicContact CG2-CG2 3.87Å; R179-T183 WeakPolarHBondContact O-CB 3.29Å; R179-T183 PolarHBondContact O-N 3.15Å; R179-T183 PolarHBondContact O-OG1 3.37Å; L180-T183 WeakPolarHBondContact O-CB 3.3Å; L180-T183 PolarHBondContact O-N 3.36Å; T183-C187 WeakPolarHBondContact O-CB 3.27Å; T183-C187 PolarHBondContact O-N 3.46Å; T183-C187 PolarHBondContact O-SG 3.48Å |
| 184 | V | 88.7 | Confident | 91.8 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -49 | 175.4 | 164.1 | 0 | 0 | 0 | 0 | 110.6 | S97 L180 A181 E182 C187 I188 | S97-V184 VanDerWaalsContact OG-CG1 3.3Å; S97-V184 WeakPolarHBondContact OG-CG1 3.48Å; L180-V184 WeakPolarHBondContact O-CG2 3.27Å; L180-V184 PolarHBondContact O-N 3.2Å; A181-V184 PolarHBondContact O-N 2.87Å; E182-V184 VanDerWaalsContact C-N 3.31Å; E182-V184 PolarHBondContact O-N 3.18Å; V184-C187 PolarHBondContact O-N 3.49Å; V184-I188 HydrophobicContact CG1-CD1 4.23Å; V184-I188 WeakPolarHBondContact O-CG1 3.42Å; V184-I188 PolarHBondContact O-N 2.81Å; V184-I188 VanDerWaalsContact O-N 3.1Å |
| 185 | N | 88.6 | Confident | 91.6 | Very high | 103 Ų | 103 | 54.3 Ų | 54.3 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 179.7 | -174.8 | 68.4 | 0 | 0 | 0 | 112 | A181 E182 C187 I188 A189 | A181-N185 WeakPolarHBondContact O-CB 3.29Å; A181-N185 PolarHBondContact O-N 3.43Å; E182-N185 PolarHBondContact O-N 2.91Å; N185-C187 VanDerWaalsContact C-N 3.33Å; N185-C187 PolarHBondContact O-N 3.2Å; N185-I188 PolarHBondContact O-N 3.18Å; N185-A189 WeakPolarHBondContact O-CB 3.46Å; N185-A189 PolarHBondContact O-N 2.99Å |
| 186 | D | 89.6 | Confident | 91.5 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.6 | -78 | -23.5 | 0 | 0 | 0 | 111.7 | E182 I188 A189 E190 | E182-D186 WeakPolarHBondContact O-CB 3.47Å; E182-D186 PolarHBondContact O-N 3.46Å; D186-I188 PolarHBondContact O-N 3.41Å; D186-A189 PolarHBondContact O-N 3.44Å; D186-E190 WeakPolarHBondContact O-CB 3.5Å; D186-E190 VanDerWaalsContact O-CG 3.29Å; D186-E190 WeakPolarHBondContact O-CG 2.84Å; D186-E190 PolarHBondContact O-N 3.31Å |
| 187 | C | 86.8 | Confident | 91.5 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.4 | -77 | 0 | 0 | 0 | 0 | 112.6 | T94 R98 T183 V184 N185 E190 V191 | T94-C187 HydrophobicContact CG2-CB 4.14Å; T94-C187 WeakPolarHBondContact CG2-SG 3.41Å; R98-C187 PolarHBondContact NH2-SG 2.92Å; T183-C187 WeakPolarHBondContact O-CB 3.27Å; T183-C187 PolarHBondContact O-N 3.46Å; T183-C187 PolarHBondContact O-SG 3.48Å; V184-C187 PolarHBondContact O-N 3.49Å; N185-C187 VanDerWaalsContact C-N 3.33Å; N185-C187 PolarHBondContact O-N 3.2Å; C187-E190 PolarHBondContact O-N 3.45Å; C187-V191 WeakPolarHBondContact O-CG2 3.31Å; C187-V191 PolarHBondContact O-N 2.94Å; C187-V191 VanDerWaalsContact O-N 3.15Å |
| 188 | I | 86 | Confident | 91.5 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -49 | 175.1 | -66 | 167.9 | 0 | 0 | 0 | 109.4 | V143 V184 N185 D186 E190 V191 E192 | V143-I188 HydrophobicContact CG1-CD1 4Å; V184-I188 HydrophobicContact CG1-CD1 4.23Å; V184-I188 WeakPolarHBondContact O-CG1 3.42Å; V184-I188 PolarHBondContact O-N 2.81Å; V184-I188 VanDerWaalsContact O-N 3.1Å; N185-I188 PolarHBondContact O-N 3.18Å; D186-I188 PolarHBondContact O-N 3.41Å; I188-E190 VanDerWaalsContact C-N 3.27Å; I188-E190 PolarHBondContact O-N 2.91Å; I188-V191 PolarHBondContact O-N 2.93Å; I188-V191 VanDerWaalsContact O-N 3.13Å; I188-E192 WeakPolarHBondContact O-CG 3.39Å; I188-E192 PolarHBondContact O-N 3.26Å |
| 189 | A | 89 | Confident | 91.4 | Very high | 31 Ų | 31 | 57.2 Ų | 57.2 | 26% | 0.256 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N185 D186 N193 | N185-A189 WeakPolarHBondContact O-CB 3.46Å; N185-A189 PolarHBondContact O-N 2.99Å; D186-A189 PolarHBondContact O-N 3.44Å; A189-N193 WeakPolarHBondContact O-CB 3.48Å; A189-N193 PolarHBondContact O-N 2.93Å |
| 190 | E | 89 | Confident | 91.5 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 175.6 | -79.5 | -176.1 | 169.8 | 0 | 0 | 113.2 | D186 C187 I188 S194 R217 | D186-E190 WeakPolarHBondContact O-CB 3.5Å; D186-E190 VanDerWaalsContact O-CG 3.29Å; D186-E190 WeakPolarHBondContact O-CG 2.84Å; D186-E190 PolarHBondContact O-N 3.31Å; C187-E190 PolarHBondContact O-N 3.45Å; I188-E190 VanDerWaalsContact C-N 3.27Å; I188-E190 PolarHBondContact O-N 2.91Å; E190-S194 VanDerWaalsContact O-CB 3.31Å; E190-S194 WeakPolarHBondContact O-CB 3.34Å; E190-S194 PolarHBondContact O-N 2.97Å; E190-S194 PolarHBondContact O-OG 2.96Å; E190-R217 IonicContact OE1-NH2 3.74Å |
| 191 | V | 88.2 | Confident | 91.5 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -47.2 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | R98 P101 C187 I188 N193 S194 A195 | R98-V191 HydrophobicContact CG-CG2 3.55Å; P101-V191 HydrophobicContact CG-CG1 4.47Å; C187-V191 WeakPolarHBondContact O-CG2 3.31Å; C187-V191 PolarHBondContact O-N 2.94Å; C187-V191 VanDerWaalsContact O-N 3.15Å; I188-V191 PolarHBondContact O-N 2.93Å; I188-V191 VanDerWaalsContact O-N 3.13Å; V191-N193 VanDerWaalsContact C-N 3.35Å; V191-N193 PolarHBondContact O-N 3.3Å; V191-S194 WeakPolarHBondContact O-CB 3.36Å; V191-S194 PolarHBondContact O-N 3.24Å; V191-A195 PolarHBondContact O-N 2.93Å |
| 192 | E | 90.6 | Very high | 91.6 | Very high | 99 Ų | 99 | 58.8 Ų | 58.8 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.5 | -69.4 | -178.3 | 173.3 | 0 | 0 | 111.8 | I188 S194 A195 K196 | I188-E192 WeakPolarHBondContact O-CG 3.39Å; I188-E192 PolarHBondContact O-N 3.26Å; E192-S194 VanDerWaalsContact C-N 3.34Å; E192-S194 PolarHBondContact O-N 3.25Å; E192-A195 PolarHBondContact O-N 3.32Å; E192-K196 WeakPolarHBondContact O-CG 3.5Å; E192-K196 PolarHBondContact O-N 3.44Å |
| 193 | N | 94.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.102 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.2 | 174.1 | 69.8 | 0 | 0 | 0 | 111.6 | A189 V191 A195 K196 I197 R216 R217 L218 | A189-N193 WeakPolarHBondContact O-CB 3.48Å; A189-N193 PolarHBondContact O-N 2.93Å; V191-N193 VanDerWaalsContact C-N 3.35Å; V191-N193 PolarHBondContact O-N 3.3Å; N193-A195 VanDerWaalsContact C-N 3.32Å; N193-A195 PolarHBondContact O-N 3.23Å; N193-K196 WeakPolarHBondContact O-CB 3.22Å; N193-K196 PolarHBondContact O-N 3.03Å; N193-I197 WeakPolarHBondContact ND2-CD1 3.42Å; N193-I197 WeakPolarHBondContact O-CG1 3.15Å; N193-I197 PolarHBondContact O-N 2.94Å; N193-R216 PolarHBondContact ND2-O 3.44Å; N193-R217 WeakPolarHBondContact OD1-CA 3.37Å; N193-R217 WeakPolarHBondContact OD1-CB 3.49Å; N193-L218 PolarHBondContact OD1-N 2.95Å |
| 194 | S | 92.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 177.3 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | E190 V191 E192 I197 I198 | E190-S194 VanDerWaalsContact O-CB 3.31Å; E190-S194 WeakPolarHBondContact O-CB 3.34Å; E190-S194 PolarHBondContact O-N 2.97Å; E190-S194 PolarHBondContact O-OG 2.96Å; V191-S194 WeakPolarHBondContact O-CB 3.36Å; V191-S194 PolarHBondContact O-N 3.24Å; E192-S194 VanDerWaalsContact C-N 3.34Å; E192-S194 PolarHBondContact O-N 3.25Å; S194-I197 PolarHBondContact O-N 3.45Å; S194-I198 WeakPolarHBondContact O-CB 3.24Å; S194-I198 VanDerWaalsContact O-CG1 3.25Å; S194-I198 WeakPolarHBondContact O-CG1 3.34Å; S194-I198 PolarHBondContact O-N 3.33Å |
| 195 | A | 92.5 | Very high | 91.9 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 49% | 0.488 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V191 E192 N193 I198 A199 | V191-A195 PolarHBondContact O-N 2.93Å; E192-A195 PolarHBondContact O-N 3.32Å; N193-A195 VanDerWaalsContact C-N 3.32Å; N193-A195 PolarHBondContact O-N 3.23Å; A195-I198 PolarHBondContact O-N 3.08Å; A195-A199 PolarHBondContact O-N 3.02Å |
| 196 | K | 94.5 | Very high | 91.8 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 174.4 | -69.5 | 172.5 | -174.8 | 174.9 | 0 | 111.8 | E192 N193 I198 A199 V200 L218 | E192-K196 WeakPolarHBondContact O-CG 3.5Å; E192-K196 PolarHBondContact O-N 3.44Å; N193-K196 WeakPolarHBondContact O-CB 3.22Å; N193-K196 PolarHBondContact O-N 3.03Å; K196-I198 VanDerWaalsContact C-N 3.35Å; K196-I198 PolarHBondContact O-N 3.19Å; K196-A199 WeakPolarHBondContact O-CB 3.3Å; K196-A199 PolarHBondContact O-N 2.93Å; K196-A199 VanDerWaalsContact O-N 3.17Å; K196-V200 WeakPolarHBondContact O-CG2 3.46Å; K196-V200 PolarHBondContact O-N 3.39Å; K196-L218 HydrophobicContact CB-CD2 4.2Å |
| 197 | I | 96.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 178.8 | -65.9 | 176.3 | 0 | 0 | 0 | 111.5 | N193 S194 A199 V200 Q201 L211 L212 R216 L218 F242 | N193-I197 WeakPolarHBondContact ND2-CD1 3.42Å; N193-I197 WeakPolarHBondContact O-CG1 3.15Å; N193-I197 PolarHBondContact O-N 2.94Å; S194-I197 PolarHBondContact O-N 3.45Å; I197-A199 VanDerWaalsContact C-N 3.31Å; I197-A199 PolarHBondContact O-N 2.96Å; I197-V200 PolarHBondContact O-N 3.34Å; I197-Q201 WeakPolarHBondContact O-CB 3.41Å; I197-Q201 PolarHBondContact O-N 3Å; I197-L211 HydrophobicContact CG2-CB 3.61Å; I197-L212 HydrophobicContact CB-CD1 4.42Å; I197-L212 HydrophobicContact CG2-CB 4.16Å; I197-L212 HydrophobicContact CG2-CD1 4.28Å; I197-R216 HydrophobicContact CD1-CG 4.42Å; I197-R216 WeakPolarHBondContact CD1-O 3.17Å; I197-L218 HydrophobicContact CG1-CB 4.43Å; I197-F242 HydrophobicContact CG1-CE1 4.11Å |
| 198 | I | 94.6 | Very high | 91.8 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.5 | -70.5 | 165.1 | 0 | 0 | 0 | 110.6 | S194 A195 K196 Q201 K202 L212 | S194-I198 WeakPolarHBondContact O-CB 3.24Å; S194-I198 VanDerWaalsContact O-CG1 3.25Å; S194-I198 WeakPolarHBondContact O-CG1 3.34Å; S194-I198 PolarHBondContact O-N 3.33Å; A195-I198 PolarHBondContact O-N 3.08Å; K196-I198 VanDerWaalsContact C-N 3.35Å; K196-I198 PolarHBondContact O-N 3.19Å; I198-Q201 PolarHBondContact O-N 3.47Å; I198-K202 HydrophobicContact CG2-CD 4.39Å; I198-K202 WeakPolarHBondContact O-CG 3.19Å; I198-K202 PolarHBondContact O-N 3.18Å; I198-K202 VanDerWaalsContact O-N 3.07Å; I198-L212 HydrophobicContact CD1-CD2 4.21Å; I198-L212 HydrophobicContact CG1-CD2 4.14Å |
| 199 | A | 94.5 | Very high | 92 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | A195 K196 I197 Q201 K202 L203 | A195-A199 PolarHBondContact O-N 3.02Å; K196-A199 WeakPolarHBondContact O-CB 3.3Å; K196-A199 PolarHBondContact O-N 2.93Å; K196-A199 VanDerWaalsContact O-N 3.17Å; I197-A199 VanDerWaalsContact C-N 3.31Å; I197-A199 PolarHBondContact O-N 2.96Å; A199-Q201 PolarHBondContact O-N 3.42Å; A199-K202 WeakPolarHBondContact O-CB 3.4Å; A199-K202 PolarHBondContact O-N 3.43Å; A199-L203 WeakPolarHBondContact O-CG 3.3Å; A199-L203 PolarHBondContact O-N 2.86Å |
| 200 | V | 95.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176 | 176 | 0 | 0 | 0 | 0 | 111.6 | K196 I197 K202 L203 L204 L211 L218 W240 F242 | K196-V200 WeakPolarHBondContact O-CG2 3.46Å; K196-V200 PolarHBondContact O-N 3.39Å; I197-V200 PolarHBondContact O-N 3.34Å; V200-K202 VanDerWaalsContact C-N 3.26Å; V200-K202 PolarHBondContact O-N 2.97Å; V200-L203 WeakPolarHBondContact O-CB 3.5Å; V200-L203 PolarHBondContact O-N 3.32Å; V200-L204 HydrophobicContact CG1-CD1 4.09Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.33Å; V200-L211 HydrophobicContact CB-CD1 4.37Å; V200-L211 HydrophobicContact CG1-CD1 3.72Å; V200-L218 HydrophobicContact CG2-CD2 4.09Å; V200-W240 HydrophobicContact CG1-CD2 3.87Å; V200-W240 HydrophobicContact CG1-CG 3.85Å; V200-W240 HydrophobicContact CG1-CZ2 4.28Å; V200-F242 HydrophobicContact CG1-CZ 4.31Å |
| 201 | Q | 94.8 | Very high | 92.4 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 24% | 0.243 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.4 | -37.7 | 178.3 | -174.7 | 73.9 | 75.9 | 0 | 0 | 112.3 | I197 I198 A199 L203 L204 P209 L211 | I197-Q201 WeakPolarHBondContact O-CB 3.41Å; I197-Q201 PolarHBondContact O-N 3Å; I198-Q201 PolarHBondContact O-N 3.47Å; A199-Q201 PolarHBondContact O-N 3.42Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L204 PolarHBondContact O-N 3.47Å; Q201-P209 PolarHBondContact NE2-O 2.62Å; Q201-P209 PolarHBondContact OE1-O 3.11Å; Q201-L211 HydrophobicContact CB-CD1 4.49Å |
| 202 | K | 93.8 | Very high | 92.6 | Very high | 154 Ų | 154 | 54.5 Ų | 54.5 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.9 | -29.1 | 177.3 | -72.8 | 173.4 | 179.3 | -180 | 0 | 112.9 | I198 A199 V200 L204 | I198-K202 HydrophobicContact CG2-CD 4.39Å; I198-K202 WeakPolarHBondContact O-CG 3.19Å; I198-K202 PolarHBondContact O-N 3.18Å; I198-K202 VanDerWaalsContact O-N 3.07Å; A199-K202 WeakPolarHBondContact O-CB 3.4Å; A199-K202 PolarHBondContact O-N 3.43Å; V200-K202 VanDerWaalsContact C-N 3.26Å; V200-K202 PolarHBondContact O-N 2.97Å; K202-L204 VanDerWaalsContact C-N 3.31Å |
| 203 | L | 93.7 | Very high | 92.6 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.1 | -22 | 177.5 | -60.3 | 176.3 | 0 | 0 | 0 | 112.5 | A199 V200 Q201 H259 Y260 | A199-L203 WeakPolarHBondContact O-CG 3.3Å; A199-L203 PolarHBondContact O-N 2.86Å; V200-L203 WeakPolarHBondContact O-CB 3.5Å; V200-L203 PolarHBondContact O-N 3.32Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; L203-H259 CarbonylContact O-C 3.56Å; L203-H259 WeakPolarHBondContact O-CA 3.43Å; L203-Y260 HydrophobicContact CB-CD2 4.18Å; L203-Y260 PolarHBondContact O-N 3.11Å |
| 204 | L | 93.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 151.5 | -174.9 | -65.4 | 165.6 | 0 | 0 | 0 | 112.6 | V200 Q201 K202 A208 L211 W240 L247 A249 Y260 C262 | V200-L204 HydrophobicContact CG1-CD1 4.09Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.33Å; Q201-L204 PolarHBondContact O-N 3.47Å; K202-L204 VanDerWaalsContact C-N 3.31Å; L204-A208 HydrophobicContact CB-CB 3.71Å; L204-A208 HydrophobicContact CD1-CB 3.96Å; L204-A208 HydrophobicContact CG-CB 4.38Å; L204-L211 HydrophobicContact CD1-CD1 3.56Å; L204-L211 HydrophobicContact CD1-CG 4.47Å; L204-W240 HydrophobicContact CD2-CH2 3.96Å; L204-W240 HydrophobicContact CD2-CZ3 3.79Å; L204-L247 HydrophobicContact CD1-CD2 3.55Å; L204-L247 HydrophobicContact CD2-CD2 4.14Å; L204-L247 HydrophobicContact CG-CD2 4.49Å; L204-A249 HydrophobicContact CD2-CB 3.85Å; L204-Y260 CarbonylContact C-O 3.58Å; L204-Y260 WeakPolarHBondContact CA-O 3.48Å; L204-C262 HydrophobicContact CD2-CB 4.46Å |
| 205 | D | 91 | Very high | 92.2 | Very high | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.16 | 34% | 0.344 | C | S | . | . | trans | -64.1 | 155 | 170.9 | 71.5 | -22.5 | 0 | 0 | 0 | 111.5 | C207 A208 Y260 C262 R334 | D205-C207 PolarHBondContact O-N 3.44Å; D205-A208 VanDerWaalsContact O-CB 3.3Å; D205-A208 WeakPolarHBondContact O-CB 3.37Å; D205-A208 PolarHBondContact O-N 2.85Å; D205-Y260 PolarHBondContact N-O 3.01Å; D205-C262 VanDerWaalsContact OD1-CB 3.28Å; D205-C262 WeakPolarHBondContact OD1-CB 3.48Å; D205-C262 PolarHBondContact OD1-N 3.45Å; D205-R334 IonicContact OD1-NH1 3.66Å; D205-R334 IonicContact OD2-CZ 2.7Å; D205-R334 IonicContact OD2-NH1 2.69Å; D205-R334 PolarHBondContact OD2-NH1 3.07Å; D205-R334 IonicContact OD2-NH2 3.41Å; D205-R334 PolarHBondContact OD2-NH2 2.77Å | ||
| 206 | S | 87 | Confident | 92.3 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 58% | 0.58 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 2.1 | -175.4 | 41.1 | 0 | 0 | 0 | 0 | 114.8 | R341 | S206-R341 VanDerWaalsContact CB-CZ 3.45Å; S206-R341 WeakPolarHBondContact O-CD 3.45Å; S206-R341 PolarHBondContact O-NE 3.01Å; S206-R341 PolarHBondContact O-NH1 2.97Å; S206-R341 VanDerWaalsContact O-NH1 3.15Å; S206-R341 VanDerWaalsContact OG-CZ 3.25Å; S206-R341 PolarHBondContact OG-NH1 3.44Å; S206-R341 PolarHBondContact OG-NH2 3.46Å; S206-R341 VanDerWaalsContact OG-NH2 3.08Å |
| 207 | C | 86.8 | Confident | 92.3 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -11.9 | 169.1 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | D205 R338 | D205-C207 PolarHBondContact O-N 3.44Å; C207-R338 HydrophobicContact CB-CG 4.5Å |
| 208 | A | 89.7 | Confident | 92.3 | Very high | 13 Ų | 13 | 58 Ų | 58 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -61.3 | 145.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L204 D205 C262 | L204-A208 HydrophobicContact CB-CB 3.71Å; L204-A208 HydrophobicContact CD1-CB 3.96Å; L204-A208 HydrophobicContact CG-CB 4.38Å; D205-A208 VanDerWaalsContact O-CB 3.3Å; D205-A208 WeakPolarHBondContact O-CB 3.37Å; D205-A208 PolarHBondContact O-N 2.85Å; A208-C262 HydrophobicContact CB-CB 3.82Å |
| 209 | P | 89.8 | Confident | 92.4 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -65.4 | 162.1 | 174.9 | 33.1 | -37.3 | 0 | 0 | 0 | 110.1 | Q201 L211 V265 L337 | Q201-P209 PolarHBondContact NE2-O 2.62Å; Q201-P209 PolarHBondContact OE1-O 3.11Å; P209-L211 HydrophobicContact CG-CD2 4.22Å; P209-L211 PolarHBondContact O-N 3.16Å; P209-L211 VanDerWaalsContact O-N 3.09Å; P209-V265 HydrophobicContact CG-CG2 3.84Å; P209-L337 HydrophobicContact CG-CD2 4.39Å | ||
| 210 | K | 92.4 | Very high | 92.6 | Very high | 157 Ų | 157 | 57.9 Ų | 57.9 | 68% | 0.683 | 32% | 0.317 | S | S | * | . | trans | -64.9 | 111.9 | 171.3 | -173.4 | 177.3 | 179.7 | -178.6 | 0 | 109 | L212 R216 | K210-L212 WeakPolarHBondContact CE-O 3.49Å; K210-R216 PolarHBondContact O-NH1 2.96Å | ||
| 211 | L | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -79.5 | -37.3 | -179.2 | -61.7 | -177.2 | 0 | 0 | 0 | 111.6 | I197 V200 Q201 L204 P209 V213 R216 F242 I245 L247 | I197-L211 HydrophobicContact CG2-CB 3.61Å; V200-L211 HydrophobicContact CB-CD1 4.37Å; V200-L211 HydrophobicContact CG1-CD1 3.72Å; Q201-L211 HydrophobicContact CB-CD1 4.49Å; L204-L211 HydrophobicContact CD1-CD1 3.56Å; L204-L211 HydrophobicContact CD1-CG 4.47Å; P209-L211 HydrophobicContact CG-CD2 4.22Å; P209-L211 PolarHBondContact O-N 3.16Å; P209-L211 VanDerWaalsContact O-N 3.09Å; L211-V213 PolarHBondContact O-N 3.43Å; L211-R216 WeakPolarHBondContact O-CD 3.19Å; L211-R216 PolarHBondContact O-NH1 2.66Å; L211-F242 HydrophobicContact CD1-CZ 3.92Å; L211-F242 HydrophobicContact CD2-CE2 4.37Å; L211-F242 HydrophobicContact CD2-CZ 4.34Å; L211-I245 HydrophobicContact CD2-CD1 4.2Å; L211-L247 HydrophobicContact CD1-CD2 4.41Å | ||
| 212 | L | 92.4 | Very high | 92.7 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | trans | -73.7 | 95.4 | 179.2 | -170 | 69.6 | 0 | 0 | 0 | 110.8 | I197 I198 K210 | I197-L212 HydrophobicContact CB-CD1 4.42Å; I197-L212 HydrophobicContact CG2-CB 4.16Å; I197-L212 HydrophobicContact CG2-CD1 4.28Å; I198-L212 HydrophobicContact CD1-CD2 4.21Å; I198-L212 HydrophobicContact CG1-CD2 4.14Å; K210-L212 WeakPolarHBondContact CE-O 3.49Å | ||
| 213 | V | 91.7 | Very high | 92.8 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | trans | -133 | 151.2 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | L211 G215 R216 | L211-V213 PolarHBondContact O-N 3.43Å; V213-G215 PolarHBondContact O-N 3.07Å; V213-R216 HydrophobicContact CG2-CB 3.55Å; V213-R216 HydrophobicContact CG2-CG 4.47Å; V213-R216 VanDerWaalsContact CG2-CZ 3.41Å; V213-R216 PolarHBondContact O-N 3.05Å | ||
| 214 | P | 88 | Confident | 93 | Very high | 137 Ų | 137 | 53.4 Ų | 53.4 | 89% | 0.89 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.1 | 178.1 | -25.2 | 34.9 | 0 | 0 | 0 | 112.2 | R216 | P214-R216 PolarHBondContact O-N 3.48Š|
| 215 | G | 88.6 | Confident | 93.1 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -10.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | V213 T243 | V213-G215 PolarHBondContact O-N 3.07Å; G215-T243 PolarHBondContact O-OG1 2.98Å |
| 216 | R | 94.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | trans | -78.5 | 124.3 | 176.3 | -173.2 | 171.2 | -64.5 | 146.7 | -6 | 110.9 | N193 I197 K210 L211 V213 P214 F242 T243 D244 | N193-R216 PolarHBondContact ND2-O 3.44Å; I197-R216 HydrophobicContact CD1-CG 4.42Å; I197-R216 WeakPolarHBondContact CD1-O 3.17Å; K210-R216 PolarHBondContact O-NH1 2.96Å; L211-R216 WeakPolarHBondContact O-CD 3.19Å; L211-R216 PolarHBondContact O-NH1 2.66Å; V213-R216 HydrophobicContact CG2-CB 3.55Å; V213-R216 HydrophobicContact CG2-CG 4.47Å; V213-R216 VanDerWaalsContact CG2-CZ 3.41Å; V213-R216 PolarHBondContact O-N 3.05Å; P214-R216 PolarHBondContact O-N 3.48Å; R216-F242 HydrophobicContact CG-CB 3.8Å; R216-F242 HydrophobicContact CG-CD1 3.76Å; R216-F242 HydrophobicContact CG-CG 4.05Å; R216-T243 WeakPolarHBondContact CA-OG1 3.44Å; R216-D244 WeakPolarHBondContact CD-OD1 3.46Å; R216-D244 WeakPolarHBondContact CG-OD1 3.48Å; R216-D244 IonicContact CZ-OD1 3.51Å; R216-D244 IonicContact CZ-OD2 3.06Å; R216-D244 IonicContact NE-OD1 3.76Å; R216-D244 PolarHBondContact NE-OD1 3.5Å; R216-D244 IonicContact NE-OD2 3.61Å; R216-D244 PolarHBondContact NE-OD2 3.44Å; R216-D244 IonicContact NH2-OD1 3.27Å; R216-D244 IonicContact NH2-OD2 3.48Å; R216-D244 PolarHBondContact NH2-OD2 3.28Å | ||
| 217 | R | 95.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 51.6 Ų | 51.6 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | trans | -121.3 | 142.3 | 173.1 | -56 | -176.6 | 173.9 | -168.6 | -2.1 | 111.5 | E190 N193 F242 T243 | E190-R217 IonicContact OE1-NH2 3.74Å; N193-R217 WeakPolarHBondContact OD1-CA 3.37Å; N193-R217 WeakPolarHBondContact OD1-CB 3.49Å; R217-F242 CarbonylContact O-C 3.58Å; R217-F242 WeakPolarHBondContact O-CA 3.14Å; R217-F242 WeakPolarHBondContact O-CB 3.48Å; R217-T243 HydrophobicContact CB-CG2 3.76Å; R217-T243 HydrophobicContact CG-CG2 4.42Å; R217-T243 PolarHBondContact N-OG1 2.96Å; R217-T243 VanDerWaalsContact N-OG1 3.1Å; R217-T243 PolarHBondContact O-N 3.18Å | ||
| 218 | L | 97.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.2 | 173.5 | 179.8 | 68.3 | 0 | 0 | 0 | 108.9 | N193 K196 I197 V200 W240 F242 | N193-L218 PolarHBondContact OD1-N 2.95Å; K196-L218 HydrophobicContact CB-CD2 4.2Å; I197-L218 HydrophobicContact CG1-CB 4.43Å; V200-L218 HydrophobicContact CG2-CD2 4.09Å; L218-W240 HydrophobicContact CD1-CB 4.08Å; L218-W240 HydrophobicContact CD1-CG 4.45Å; L218-F242 HydrophobicContact CB-CD1 4.21Å; L218-F242 HydrophobicContact CB-CE1 4.14Å; L218-F242 HydrophobicContact CD1-CD1 4.09Å; L218-F242 HydrophobicContact CD1-CE1 3.72Å; L218-F242 HydrophobicContact CD1-CE2 4.49Å; L218-F242 HydrophobicContact CD1-CZ 3.95Å |
| 219 | L | 97 | Very high | 93.2 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -45.5 | -174.7 | -60.7 | -178.3 | 0 | 0 | 0 | 112.7 | L241 T243 A311 | L219-L241 HydrophobicContact CB-CD2 4.19Å; L219-L241 HydrophobicContact CB-CG 4.13Å; L219-L241 HydrophobicContact CD1-CD2 4.43Å; L219-L241 HydrophobicContact CD1-CG 4.31Å; L219-L241 PolarHBondContact N-O 2.81Å; L219-T243 HydrophobicContact CD1-CG2 4.17Å; L219-T243 HydrophobicContact CD2-CG2 3.88Å; L219-T243 HydrophobicContact CG-CG2 4.12Å; L219-A311 HydrophobicContact CD1-CB 3.51Å |
| 220 | K | 97.5 | Very high | 92.7 | Very high | 46 Ų | 46 | 67.3 Ų | 67.3 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 146.5 | 179.8 | -167 | 174.8 | 178.2 | 75.1 | 0 | 109.7 | L241 E303 W304 A307 | K220-L241 HydrophobicContact CB-CB 4.25Å; K220-L241 HydrophobicContact CB-CD2 4.37Å; K220-L241 PolarHBondContact N-O 2.9Å; K220-L241 PolarHBondContact O-N 3.35Å; K220-E303 IonicContact NZ-OE2 2.75Å; K220-E303 PolarHBondContact NZ-OE2 3.06Å; K220-W304 HydrophobicContact CB-CH2 4.4Å; K220-W304 HydrophobicContact CB-CZ3 4.33Å; K220-W304 HydrophobicContact CD-CD2 3.81Å; K220-W304 HydrophobicContact CD-CE3 4.01Å; K220-W304 HydrophobicContact CD-CG 4.23Å; K220-W304 HydrophobicContact CD-CH2 4.49Å; K220-W304 HydrophobicContact CD-CZ2 4.32Å; K220-W304 HydrophobicContact CD-CZ3 4.35Å; K220-W304 HydrophobicContact CG-CD2 4.49Å; K220-W304 HydrophobicContact CG-CE3 4.48Å; K220-W304 HydrophobicContact CG-CH2 4.15Å; K220-W304 HydrophobicContact CG-CZ2 4.15Å; K220-W304 HydrophobicContact CG-CZ3 4.33Å; K220-A307 HydrophobicContact CD-CB 4.04Å |
| 221 | E | 96.9 | Very high | 92.3 | Very high | 102 Ų | 102 | 63.9 Ų | 63.9 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.5 | 170.6 | 69.9 | 178.1 | 179.4 | 0 | 0 | 110.1 | M238 F239 W240 | E221-M238 HydrophobicContact CB-CE 3.84Å; E221-M238 HydrophobicContact CG-CE 4.09Å; E221-F239 VanDerWaalsContact CA-O 3.28Å; E221-F239 WeakPolarHBondContact CA-O 3.47Å; E221-W240 VanDerWaalsContact CB-CD1 3.49Å; E221-W240 HydrophobicContact CB-CG 4.32Å; E221-W240 VanDerWaalsContact OE2-CD1 3.24Å; E221-W240 PolarHBondContact OE2-NE1 3.33Å |
| 222 | G | 96.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 67.4 Ų | 67.4 | 19% | 0.186 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | 170.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | F239 | G222-F239 PolarHBondContact N-O 3.3Å; G222-F239 PolarHBondContact O-N 2.93Å |
| 223 | M | 95.6 | Very high | 91.8 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 31% | 0.305 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.4 | -178.3 | -65.2 | -82 | -174.1 | 0 | 0 | 110.9 | R236 R237 M238 Y260 | M223-R236 HydrophobicContact CB-CG 4.4Å; M223-R236 VanDerWaalsContact CB-NE 3.26Å; M223-R236 HydrophobicContact SD-CG 4.1Å; M223-R237 WeakPolarHBondContact CA-O 3.17Å; M223-M238 HydrophobicContact CE-CB 4.22Å; M223-M238 HydrophobicContact CE-SD 3.93Å; M223-M238 HydrophobicContact CG-SD 3.93Å; M223-M238 HydrophobicContact SD-CB 3.94Å; M223-M238 HydrophobicContact SD-SD 3.92Å; M223-Y260 HydrophobicContact CE-CE1 3.89Å; M223-Y260 WeakPolarHBondContact CE-OH 3.18Å |
| 224 | L | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 157.4 | 170.6 | -62.8 | 169.7 | 0 | 0 | 0 | 109.6 | R237 F239 F282 M293 A295 W304 | L224-R237 PolarHBondContact N-O 3Å; L224-R237 PolarHBondContact O-N 3.47Å; L224-R237 VanDerWaalsContact O-O 3.09Å; L224-F239 HydrophobicContact CB-CD2 3.72Å; L224-F239 HydrophobicContact CB-CE2 3.6Å; L224-F239 HydrophobicContact CB-CZ 4.47Å; L224-F239 HydrophobicContact CD1-CD2 4.06Å; L224-F239 HydrophobicContact CD1-CE2 4.33Å; L224-F239 HydrophobicContact CD1-CG 4.26Å; L224-F239 HydrophobicContact CG-CD2 4.14Å; L224-F239 HydrophobicContact CG-CE2 4.42Å; L224-F282 HydrophobicContact CD1-CE1 4.03Å; L224-F282 HydrophobicContact CD1-CZ 3.75Å; L224-M293 HydrophobicContact CD1-CB 4.4Å; L224-M293 HydrophobicContact CD1-SD 3.92Å; L224-A295 HydrophobicContact CD2-CB 3.72Å; L224-W304 HydrophobicContact CD1-CD2 3.93Å; L224-W304 HydrophobicContact CD1-CE3 4.46Å; L224-W304 HydrophobicContact CD1-CG 4.04Å; L224-W304 HydrophobicContact CD1-CZ2 4.47Å; L224-W304 HydrophobicContact CD2-CG 4.46Å |
| 225 | D | 95.8 | Very high | 92.1 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 111.4 | 173.9 | -82 | -11.9 | 0 | 0 | 0 | 110 | F234 R236 M293 R294 | D225-F234 HydrophobicContact CB-CB 4.06Å; D225-F234 HydrophobicContact CB-CD1 3.95Å; D225-F234 HydrophobicContact CB-CG 4.37Å; D225-R236 WeakPolarHBondContact OD1-CA 3.37Å; D225-R236 WeakPolarHBondContact OD1-CD 3.46Å; D225-R236 IonicContact OD1-NH1 3.7Å; D225-M293 CarbonylContact O-C 3.56Å; D225-M293 WeakPolarHBondContact O-CA 3.47Å; D225-R294 HydrophobicContact CB-CB 4.04Å; D225-R294 WeakPolarHBondContact CB-O 3.46Å; D225-R294 PolarHBondContact N-O 2.92Å; D225-R294 PolarHBondContact O-N 3.33Å; D225-R294 IonicContact OD2-CZ 3.84Å; D225-R294 IonicContact OD2-NE 3.29Å; D225-R294 PolarHBondContact OD2-NE 2.99Å; D225-R294 IonicContact OD2-NH2 2.64Å; D225-R294 PolarHBondContact OD2-NH2 3.17Å |
| 226 | K | 95.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 67.3 Ų | 67.3 | 9% | 0.087 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128.9 | 175.2 | -174.7 | -171.8 | 175.3 | -61.1 | 0 | 110.1 | R235 R237 F239 Y248 V291 | K226-R235 PolarHBondContact N-O 3.21Å; K226-R235 PolarHBondContact O-N 3.48Å; K226-R237 HydrophobicContact CB-CG 3.85Å; K226-F239 HydrophobicContact CB-CZ 4.38Å; K226-Y248 HydrophobicContact CD-CD2 4.22Å; K226-Y248 HydrophobicContact CD-CE1 4.25Å; K226-Y248 HydrophobicContact CD-CE2 3.62Å; K226-Y248 WeakPolarHBondContact CE-OH 3.48Å; K226-V291 HydrophobicContact CD-CG1 4.05Å; K226-V291 HydrophobicContact CG-CG1 3.79Å |
| 227 | M | 94 | Very high | 92.4 | Very high | 47 Ų | 47 | 68.1 Ų | 68.1 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 130.5 | 169.5 | -163.2 | 176.3 | -178.6 | 0 | 0 | 110.7 | S232 F234 I292 | M227-S232 WeakPolarHBondContact CE-OG 3.29Å; M227-F234 HydrophobicContact CB-CD1 4.18Å; M227-F234 HydrophobicContact CB-CE1 3.82Å; M227-F234 HydrophobicContact CB-CZ 4.25Å; M227-F234 HydrophobicContact CG-CE1 4.32Å; M227-F234 HydrophobicContact CG-CZ 4.28Å; M227-F234 HydrophobicContact SD-CZ 4.33Å; M227-I292 HydrophobicContact CB-CB 3.9Å; M227-I292 HydrophobicContact CB-CG2 4.44Å; M227-I292 PolarHBondContact N-O 2.88Å; M227-I292 HydrophobicContact SD-CB 4.03Å; M227-I292 HydrophobicContact SD-CD1 3.75Å; M227-I292 HydrophobicContact SD-CG1 4.33Å; M227-I292 HydrophobicContact SD-CG2 4.2Å |
| 228 | A | 88.5 | Confident | 92.4 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 21% | 0.207 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 131.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K230 N231 S232 T233 | A228-K230 VanDerWaalsContact C-N 3.27Å; A228-K230 PolarHBondContact O-N 3.29Å; A228-N231 WeakPolarHBondContact CB-OD1 3.49Å; A228-S232 WeakPolarHBondContact O-CA 3.2Å; A228-S232 PolarHBondContact O-N 3.12Å; A228-T233 WeakPolarHBondContact CB-O 3.47Å; A228-T233 PolarHBondContact N-O 3.49Å |
| 229 | Q | 78.6 | Confident | 92.5 | Very high | 155 Ų | 155 | 63.1 Ų | 63.1 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -31 | -178.6 | -73.2 | 169.9 | -42.6 | 0 | 0 | 113.3 | ||
| 230 | K | 79.8 | Confident | 92.5 | Very high | 209 Ų | 209 | 59.6 Ų | 59.6 | 91% | 0.909 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -32.3 | -171.8 | -68 | -168.8 | 174.8 | -167.5 | 0 | 114.8 | A228 | A228-K230 VanDerWaalsContact C-N 3.27Å; A228-K230 PolarHBondContact O-N 3.29Å |
| 231 | N | 84.4 | Confident | 92.5 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.3 | 11.7 | -168.3 | 72.2 | -13.5 | 0 | 0 | 0 | 113.1 | A228 T233 | A228-N231 WeakPolarHBondContact CB-OD1 3.49Å; N231-T233 HydrophobicContact CB-CG2 4.45Å; N231-T233 VanDerWaalsContact ND2-CG2 3.26Å; N231-T233 WeakPolarHBondContact ND2-CG2 3.42Å; N231-T233 PolarHBondContact ND2-OG1 2.85Å; N231-T233 PolarHBondContact O-N 3.26Å; N231-T233 WeakPolarHBondContact OD1-CB 3.47Å; N231-T233 PolarHBondContact OD1-N 2.97Å; N231-T233 VanDerWaalsContact OD1-N 3.11Å; N231-T233 PolarHBondContact OD1-OG1 3.37Å |
| 232 | S | 84.9 | Confident | 92.6 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | trans | 57.4 | 12.9 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 115.1 | M227 A228 | M227-S232 WeakPolarHBondContact CE-OG 3.29Å; A228-S232 WeakPolarHBondContact O-CA 3.2Å; A228-S232 PolarHBondContact O-N 3.12Å | ||
| 233 | T | 91.5 | Very high | 92.6 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 31% | 0.307 | 26% | 0.256 | S | S | . | . | trans | -81.5 | 139.5 | 178.9 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | A228 N231 R235 | A228-T233 WeakPolarHBondContact CB-O 3.47Å; A228-T233 PolarHBondContact N-O 3.49Å; N231-T233 HydrophobicContact CB-CG2 4.45Å; N231-T233 VanDerWaalsContact ND2-CG2 3.26Å; N231-T233 WeakPolarHBondContact ND2-CG2 3.42Å; N231-T233 PolarHBondContact ND2-OG1 2.85Å; N231-T233 PolarHBondContact O-N 3.26Å; N231-T233 WeakPolarHBondContact OD1-CB 3.47Å; N231-T233 PolarHBondContact OD1-N 2.97Å; N231-T233 VanDerWaalsContact OD1-N 3.11Å; N231-T233 PolarHBondContact OD1-OG1 3.37Å; T233-R235 PolarHBondContact OG1-NE 2.85Å | ||
| 234 | F | 92 | Very high | 92.5 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 23% | 0.232 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.3 | 173.5 | -74.6 | -79.8 | 0 | 0 | 0 | 111 | D225 M227 M281 R294 | D225-F234 HydrophobicContact CB-CB 4.06Å; D225-F234 HydrophobicContact CB-CD1 3.95Å; D225-F234 HydrophobicContact CB-CG 4.37Å; M227-F234 HydrophobicContact CB-CD1 4.18Å; M227-F234 HydrophobicContact CB-CE1 3.82Å; M227-F234 HydrophobicContact CB-CZ 4.25Å; M227-F234 HydrophobicContact CG-CE1 4.32Å; M227-F234 HydrophobicContact CG-CZ 4.28Å; M227-F234 HydrophobicContact SD-CZ 4.33Å; F234-M281 HydrophobicContact CE1-SD 4.23Å; F234-M281 HydrophobicContact CE2-CE 4.28Å; F234-M281 HydrophobicContact CE2-SD 4.47Å; F234-M281 HydrophobicContact CZ-CE 3.97Å; F234-M281 HydrophobicContact CZ-SD 3.62Å; F234-R294 HydrophobicContact CD1-CB 3.9Å; F234-R294 HydrophobicContact CE1-CB 3.65Å; F234-R294 HydrophobicContact CZ-CB 4.34Å |
| 235 | R | 93.3 | Very high | 92.5 | Very high | 132 Ų | 132 | 53.1 Ų | 53.1 | 50% | 0.498 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.6 | 179.3 | -56.8 | -68.2 | -173.7 | 167.3 | 4.2 | 109.6 | K226 T233 R237 | K226-R235 PolarHBondContact N-O 3.21Å; K226-R235 PolarHBondContact O-N 3.48Å; T233-R235 PolarHBondContact OG1-NE 2.85Å; R235-R237 VanDerWaalsContact CB-NH1 3.29Å; R235-R237 PolarHBondContact O-N 2.9Å |
| 236 | R | 93.9 | Very high | 92.6 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 129.4 | 178.1 | -157.4 | 70.7 | 166.3 | 178.9 | 2.2 | 112 | M223 D225 D296 | M223-R236 HydrophobicContact CB-CG 4.4Å; M223-R236 VanDerWaalsContact CB-NE 3.26Å; M223-R236 HydrophobicContact SD-CG 4.1Å; D225-R236 WeakPolarHBondContact OD1-CA 3.37Å; D225-R236 WeakPolarHBondContact OD1-CD 3.46Å; D225-R236 IonicContact OD1-NH1 3.7Å; R236-D296 IonicContact CZ-OD1 2.76Å; R236-D296 IonicContact CZ-OD2 3.24Å; R236-D296 IonicContact NH1-OD1 3.41Å; R236-D296 PolarHBondContact NH1-OD1 3.22Å; R236-D296 IonicContact NH1-OD2 2.7Å; R236-D296 PolarHBondContact NH1-OD2 2.96Å; R236-D296 IonicContact NH2-OD1 3.71Å; R236-D296 IonicContact NH2-OD2 2.72Å; R236-D296 PolarHBondContact NH2-OD2 3.35Å |
| 237 | R | 95.5 | Very high | 92.7 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149 | 175.8 | -64.2 | -64.4 | 178.9 | -86.1 | -7 | 109.1 | M223 L224 K226 R235 F239 Y248 A249 | M223-R237 WeakPolarHBondContact CA-O 3.17Å; L224-R237 PolarHBondContact N-O 3Å; L224-R237 PolarHBondContact O-N 3.47Å; L224-R237 VanDerWaalsContact O-O 3.09Å; K226-R237 HydrophobicContact CB-CG 3.85Å; R235-R237 VanDerWaalsContact CB-NH1 3.29Å; R235-R237 PolarHBondContact O-N 2.9Å; R237-F239 HydrophobicContact CB-CD2 4.21Å; R237-F239 HydrophobicContact CB-CE2 3.6Å; R237-F239 HydrophobicContact CB-CZ 4.24Å; R237-F239 WeakPolarHBondContact O-CD2 3.48Å; R237-Y248 HydrophobicContact CB-CD2 4.21Å; R237-Y248 HydrophobicContact CG-CD2 4.01Å; R237-Y248 HydrophobicContact CG-CE2 4.46Å; R237-A249 WeakPolarHBondContact CA-O 3.36Å; R237-A249 VanDerWaalsContact CD-O 3.32Å; R237-A249 WeakPolarHBondContact CD-O 3.33Å |
| 238 | M | 96.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 50 Ų | 50 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.7 | 170.5 | -173.1 | 63.5 | -176.9 | 0 | 0 | 108.6 | E221 M223 W240 Y248 A249 Y260 | E221-M238 HydrophobicContact CB-CE 3.84Å; E221-M238 HydrophobicContact CG-CE 4.09Å; M223-M238 HydrophobicContact CE-CB 4.22Å; M223-M238 HydrophobicContact CE-SD 3.93Å; M223-M238 HydrophobicContact CG-SD 3.93Å; M223-M238 HydrophobicContact SD-CB 3.94Å; M223-M238 HydrophobicContact SD-SD 3.92Å; M238-W240 HydrophobicContact CB-CH2 3.72Å; M238-W240 HydrophobicContact CB-CZ2 4.26Å; M238-W240 HydrophobicContact CB-CZ3 3.9Å; M238-W240 HydrophobicContact CE-CZ2 4.16Å; M238-W240 HydrophobicContact CG-CD2 4.21Å; M238-W240 HydrophobicContact CG-CE3 4.14Å; M238-W240 HydrophobicContact CG-CH2 3.29Å; M238-W240 HydrophobicContact CG-CZ2 3.32Å; M238-W240 HydrophobicContact CG-CZ3 3.71Å; M238-Y248 CarbonylContact O-C 3.46Å; M238-Y248 VanDerWaalsContact O-CA 3.25Å; M238-Y248 WeakPolarHBondContact O-CA 3.37Å; M238-A249 PolarHBondContact N-O 3.31Å; M238-A249 PolarHBondContact O-N 3Å; M238-Y260 HydrophobicContact CB-CD1 3.71Å; M238-Y260 HydrophobicContact CB-CE1 3.41Å; M238-Y260 VanDerWaalsContact CB-CE1 3.41Å; M238-Y260 HydrophobicContact CB-CG 4.48Å; M238-Y260 HydrophobicContact CG-CE1 4.07Å |
| 239 | F | 97.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.9 | 179.3 | -72.1 | -101.3 | 0 | 0 | 0 | 110.1 | E221 G222 L224 K226 R237 L246 L247 Y248 M293 W304 | E221-F239 VanDerWaalsContact CA-O 3.28Å; E221-F239 WeakPolarHBondContact CA-O 3.47Å; G222-F239 PolarHBondContact N-O 3.3Å; G222-F239 PolarHBondContact O-N 2.93Å; L224-F239 HydrophobicContact CB-CD2 3.72Å; L224-F239 HydrophobicContact CB-CE2 3.6Å; L224-F239 HydrophobicContact CB-CZ 4.47Å; L224-F239 HydrophobicContact CD1-CD2 4.06Å; L224-F239 HydrophobicContact CD1-CE2 4.33Å; L224-F239 HydrophobicContact CD1-CG 4.26Å; L224-F239 HydrophobicContact CG-CD2 4.14Å; L224-F239 HydrophobicContact CG-CE2 4.42Å; K226-F239 HydrophobicContact CB-CZ 4.38Å; R237-F239 HydrophobicContact CB-CD2 4.21Å; R237-F239 HydrophobicContact CB-CE2 3.6Å; R237-F239 HydrophobicContact CB-CZ 4.24Å; R237-F239 WeakPolarHBondContact O-CD2 3.48Å; F239-L246 HydrophobicContact CD1-CD1 4.21Å; F239-L247 CarbonylContact C-O 3.55Å; F239-L247 WeakPolarHBondContact CA-O 3.37Å; F239-Y248 VanDerWaalsContact CD1-CB 3.46Å; F239-Y248 HydrophobicContact CD1-CG 4.42Å; F239-Y248 HydrophobicContact CE1-CD1 4.06Å; F239-Y248 AromaticContact CE1-CG 3.88Å; F239-Y248 HydrophobicContact CE1-CG 3.88Å; F239-Y248 HydrophobicContact CZ-CG 4.11Å; F239-M293 HydrophobicContact CD1-SD 3.98Å; F239-M293 HydrophobicContact CE1-CG 4.22Å; F239-M293 HydrophobicContact CE1-SD 3.29Å; F239-M293 WeakPolarHBondContact CE1-SD 3.05Å; F239-M293 HydrophobicContact CE2-SD 4.33Å; F239-M293 HydrophobicContact CZ-CG 3.84Å; F239-M293 HydrophobicContact CZ-SD 3.51Å; F239-M293 VanDerWaalsContact CZ-SD 3.51Å; F239-W304 HydrophobicContact CB-CH2 3.6Å; F239-W304 HydrophobicContact CB-CZ2 4.16Å; F239-W304 HydrophobicContact CB-CZ3 4.1Å |
| 240 | W | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 115.1 | 170.2 | -64.9 | -88.1 | 0 | 0 | 0 | 108.8 | V200 L204 L218 E221 M238 F242 L247 A249 Y260 | V200-W240 HydrophobicContact CG1-CD2 3.87Å; V200-W240 HydrophobicContact CG1-CG 3.85Å; V200-W240 HydrophobicContact CG1-CZ2 4.28Å; L204-W240 HydrophobicContact CD2-CH2 3.96Å; L204-W240 HydrophobicContact CD2-CZ3 3.79Å; L218-W240 HydrophobicContact CD1-CB 4.08Å; L218-W240 HydrophobicContact CD1-CG 4.45Å; E221-W240 VanDerWaalsContact CB-CD1 3.49Å; E221-W240 HydrophobicContact CB-CG 4.32Å; E221-W240 VanDerWaalsContact OE2-CD1 3.24Å; E221-W240 PolarHBondContact OE2-NE1 3.33Å; M238-W240 HydrophobicContact CB-CH2 3.72Å; M238-W240 HydrophobicContact CB-CZ2 4.26Å; M238-W240 HydrophobicContact CB-CZ3 3.9Å; M238-W240 HydrophobicContact CE-CZ2 4.16Å; M238-W240 HydrophobicContact CG-CD2 4.21Å; M238-W240 HydrophobicContact CG-CE3 4.14Å; M238-W240 HydrophobicContact CG-CH2 3.29Å; M238-W240 HydrophobicContact CG-CZ2 3.32Å; M238-W240 HydrophobicContact CG-CZ3 3.71Å; W240-F242 HydrophobicContact CB-CD2 4.31Å; W240-F242 HydrophobicContact CB-CE2 3.5Å; W240-F242 HydrophobicContact CB-CZ 3.88Å; W240-L247 HydrophobicContact CB-CB 4.45Å; W240-L247 HydrophobicContact CB-CD2 4.36Å; W240-L247 HydrophobicContact CD2-CD2 4.21Å; W240-L247 HydrophobicContact CE3-CD2 3.57Å; W240-L247 HydrophobicContact CE3-CG 4.13Å; W240-L247 HydrophobicContact CZ3-CD2 4.18Å; W240-L247 PolarHBondContact N-O 3.36Å; W240-L247 PolarHBondContact O-N 2.81Å; W240-A249 HydrophobicContact CH2-CB 4.33Å; W240-A249 HydrophobicContact CZ3-CB 3.71Å; W240-Y260 HydrophobicContact CH2-CD1 4.32Å; W240-Y260 AromaticContact CH2-CD2 3.78Å; W240-Y260 HydrophobicContact CH2-CD2 3.78Å; W240-Y260 HydrophobicContact CH2-CE2 4.24Å; W240-Y260 AromaticContact CH2-CG 3.82Å; W240-Y260 HydrophobicContact CH2-CG 3.82Å; W240-Y260 HydrophobicContact CZ2-CD2 4.26Å; W240-Y260 HydrophobicContact CZ2-CE2 4.4Å |
| 241 | L | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.7 | 172.9 | 178.3 | 64.9 | 0 | 0 | 0 | 109 | L219 K220 L246 L268 W304 A307 I308 A311 | L219-L241 HydrophobicContact CB-CD2 4.19Å; L219-L241 HydrophobicContact CB-CG 4.13Å; L219-L241 HydrophobicContact CD1-CD2 4.43Å; L219-L241 HydrophobicContact CD1-CG 4.31Å; L219-L241 PolarHBondContact N-O 2.81Å; K220-L241 HydrophobicContact CB-CB 4.25Å; K220-L241 HydrophobicContact CB-CD2 4.37Å; K220-L241 PolarHBondContact N-O 2.9Å; K220-L241 PolarHBondContact O-N 3.35Å; L241-L246 HydrophobicContact CB-CD1 4.1Å; L241-L246 HydrophobicContact CD1-CB 4.32Å; L241-L246 HydrophobicContact CD1-CD1 4.17Å; L241-L268 HydrophobicContact CD1-CD1 3.75Å; L241-L268 HydrophobicContact CD1-CD2 3.99Å; L241-L268 HydrophobicContact CD1-CG 4.42Å; L241-W304 HydrophobicContact CB-CZ3 3.97Å; L241-A307 HydrophobicContact CD2-CB 3.72Å; L241-I308 HydrophobicContact CD1-CG1 4.05Å; L241-I308 HydrophobicContact CD2-CG1 3.99Å; L241-A311 HydrophobicContact CD1-CB 4.41Å; L241-A311 HydrophobicContact CD2-CB 4.48Å |
| 242 | F | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 174.8 | 170.8 | -58 | -91.9 | 0 | 0 | 0 | 110.3 | I197 V200 L211 R216 R217 L218 W240 D244 I245 L247 L268 | I197-F242 HydrophobicContact CG1-CE1 4.11Å; V200-F242 HydrophobicContact CG1-CZ 4.31Å; L211-F242 HydrophobicContact CD1-CZ 3.92Å; L211-F242 HydrophobicContact CD2-CE2 4.37Å; L211-F242 HydrophobicContact CD2-CZ 4.34Å; R216-F242 HydrophobicContact CG-CB 3.8Å; R216-F242 HydrophobicContact CG-CD1 3.76Å; R216-F242 HydrophobicContact CG-CG 4.05Å; R217-F242 CarbonylContact O-C 3.58Å; R217-F242 WeakPolarHBondContact O-CA 3.14Å; R217-F242 WeakPolarHBondContact O-CB 3.48Å; L218-F242 HydrophobicContact CB-CD1 4.21Å; L218-F242 HydrophobicContact CB-CE1 4.14Å; L218-F242 HydrophobicContact CD1-CD1 4.09Å; L218-F242 HydrophobicContact CD1-CE1 3.72Å; L218-F242 HydrophobicContact CD1-CE2 4.49Å; L218-F242 HydrophobicContact CD1-CZ 3.95Å; W240-F242 HydrophobicContact CB-CD2 4.31Å; W240-F242 HydrophobicContact CB-CE2 3.5Å; W240-F242 HydrophobicContact CB-CZ 3.88Å; F242-D244 PolarHBondContact O-N 2.75Å; F242-I245 WeakPolarHBondContact CA-O 3.43Å; F242-I245 HydrophobicContact CB-CG1 3.87Å; F242-I245 WeakPolarHBondContact CB-O 3.42Å; F242-I245 HydrophobicContact CD2-CD1 4.09Å; F242-I245 HydrophobicContact CD2-CG1 3.73Å; F242-I245 HydrophobicContact CG-CG1 4.07Å; F242-I245 PolarHBondContact N-O 3.02Å; F242-L247 HydrophobicContact CE2-CB 4.18Å; F242-L247 HydrophobicContact CE2-CD2 4.37Å; F242-L268 WeakPolarHBondContact O-CD1 3.35Å |
| 243 | T | 96.3 | Very high | 94.1 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -61.8 | -27.1 | 177.8 | 45.3 | 0 | 0 | 0 | 0 | 114.4 | G215 R216 R217 L219 | G215-T243 PolarHBondContact O-OG1 2.98Å; R216-T243 WeakPolarHBondContact CA-OG1 3.44Å; R217-T243 HydrophobicContact CB-CG2 3.76Å; R217-T243 HydrophobicContact CG-CG2 4.42Å; R217-T243 PolarHBondContact N-OG1 2.96Å; R217-T243 VanDerWaalsContact N-OG1 3.1Å; R217-T243 PolarHBondContact O-N 3.18Å; L219-T243 HydrophobicContact CD1-CG2 4.17Å; L219-T243 HydrophobicContact CD2-CG2 3.88Å; L219-T243 HydrophobicContact CG-CG2 4.12Å |
| 244 | D | 94.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 40.1 Ų | 40.1 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -122.8 | -19.7 | -174.4 | 65.5 | -38.6 | 0 | 0 | 0 | 114.2 | R216 F242 L268 L315 | R216-D244 WeakPolarHBondContact CD-OD1 3.46Å; R216-D244 WeakPolarHBondContact CG-OD1 3.48Å; R216-D244 IonicContact CZ-OD1 3.51Å; R216-D244 IonicContact CZ-OD2 3.06Å; R216-D244 IonicContact NE-OD1 3.76Å; R216-D244 PolarHBondContact NE-OD1 3.5Å; R216-D244 IonicContact NE-OD2 3.61Å; R216-D244 PolarHBondContact NE-OD2 3.44Å; R216-D244 IonicContact NH2-OD1 3.27Å; R216-D244 IonicContact NH2-OD2 3.48Å; R216-D244 PolarHBondContact NH2-OD2 3.28Å; F242-D244 PolarHBondContact O-N 2.75Å; D244-L268 WeakPolarHBondContact O-CB 3.32Å; D244-L268 PolarHBondContact O-N 3.43Å; D244-L315 HydrophobicContact CB-CD1 4.38Å |
| 245 | I | 96.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.9 | -175.9 | 61.4 | 170.2 | 0 | 0 | 0 | 112.5 | L211 F242 V265 F266 | L211-I245 HydrophobicContact CD2-CD1 4.2Å; F242-I245 WeakPolarHBondContact CA-O 3.43Å; F242-I245 HydrophobicContact CB-CG1 3.87Å; F242-I245 WeakPolarHBondContact CB-O 3.42Å; F242-I245 HydrophobicContact CD2-CD1 4.09Å; F242-I245 HydrophobicContact CD2-CG1 3.73Å; F242-I245 HydrophobicContact CG-CG1 4.07Å; F242-I245 PolarHBondContact N-O 3.02Å; I245-V265 HydrophobicContact CB-CG1 3.91Å; I245-V265 HydrophobicContact CD1-CG1 3.84Å; I245-V265 HydrophobicContact CG1-CG1 4.42Å; I245-V265 HydrophobicContact CG2-CG1 4.04Å; I245-F266 CarbonylContact C-O 3.54Å; I245-F266 WeakPolarHBondContact CA-O 3.2Å |
| 246 | L | 97.6 | Very high | 90 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.1 | 165.3 | 176.2 | 61.7 | 0 | 0 | 0 | 109.3 | F239 L241 F266 L268 L284 W304 I308 | F239-L246 HydrophobicContact CD1-CD1 4.21Å; L241-L246 HydrophobicContact CB-CD1 4.1Å; L241-L246 HydrophobicContact CD1-CB 4.32Å; L241-L246 HydrophobicContact CD1-CD1 4.17Å; L246-F266 HydrophobicContact CB-CB 4.37Å; L246-F266 PolarHBondContact N-O 2.79Å; L246-F266 PolarHBondContact O-N 3.04Å; L246-L268 HydrophobicContact CB-CD2 3.87Å; L246-L284 HydrophobicContact CD2-CD1 4.2Å; L246-L284 HydrophobicContact CD2-CD2 3.66Å; L246-W304 HydrophobicContact CD1-CZ3 4.38Å; L246-I308 HydrophobicContact CD2-CD1 4.11Å |
| 247 | L | 96.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.6 | -179 | 170.7 | 84.3 | 0 | 0 | 0 | 109.4 | L204 L211 F239 W240 F242 C262 V265 | L204-L247 HydrophobicContact CD1-CD2 3.55Å; L204-L247 HydrophobicContact CD2-CD2 4.14Å; L204-L247 HydrophobicContact CG-CD2 4.49Å; L211-L247 HydrophobicContact CD1-CD2 4.41Å; F239-L247 CarbonylContact C-O 3.55Å; F239-L247 WeakPolarHBondContact CA-O 3.37Å; W240-L247 HydrophobicContact CB-CB 4.45Å; W240-L247 HydrophobicContact CB-CD2 4.36Å; W240-L247 HydrophobicContact CD2-CD2 4.21Å; W240-L247 HydrophobicContact CE3-CD2 3.57Å; W240-L247 HydrophobicContact CE3-CG 4.13Å; W240-L247 HydrophobicContact CZ3-CD2 4.18Å; W240-L247 PolarHBondContact N-O 3.36Å; W240-L247 PolarHBondContact O-N 2.81Å; F242-L247 HydrophobicContact CE2-CB 4.18Å; F242-L247 HydrophobicContact CE2-CD2 4.37Å; L247-C262 WeakPolarHBondContact CD1-SG 3.37Å; L247-V265 HydrophobicContact CD1-CG2 3.49Å; L247-V265 VanDerWaalsContact CD1-CG2 3.49Å |
| 248 | Y | 96 | Very high | 88.2 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 150.9 | 163.5 | 80.3 | -94.6 | 0 | 0 | 0 | 113.6 | K226 R237 M238 F239 S263 C264 F266 | K226-Y248 HydrophobicContact CD-CD2 4.22Å; K226-Y248 HydrophobicContact CD-CE1 4.25Å; K226-Y248 HydrophobicContact CD-CE2 3.62Å; K226-Y248 WeakPolarHBondContact CE-OH 3.48Å; R237-Y248 HydrophobicContact CB-CD2 4.21Å; R237-Y248 HydrophobicContact CG-CD2 4.01Å; R237-Y248 HydrophobicContact CG-CE2 4.46Å; M238-Y248 CarbonylContact O-C 3.46Å; M238-Y248 VanDerWaalsContact O-CA 3.25Å; M238-Y248 WeakPolarHBondContact O-CA 3.37Å; F239-Y248 VanDerWaalsContact CD1-CB 3.46Å; F239-Y248 HydrophobicContact CD1-CG 4.42Å; F239-Y248 HydrophobicContact CE1-CD1 4.06Å; F239-Y248 AromaticContact CE1-CG 3.88Å; F239-Y248 HydrophobicContact CE1-CG 3.88Å; F239-Y248 HydrophobicContact CZ-CG 4.11Å; Y248-S263 WeakPolarHBondContact O-CB 3.5Å; Y248-S263 PolarHBondContact O-N 3.45Å; Y248-C264 HydrophobicContact CD1-CB 3.98Å; Y248-C264 HydrophobicContact CE1-CB 3.29Å; Y248-C264 PolarHBondContact N-O 3.29Å; Y248-C264 PolarHBondContact O-N 3.1Å; Y248-F266 HydrophobicContact CD1-CD2 4.47Å; Y248-F266 AromaticContact CD1-CE2 3.73Å; Y248-F266 HydrophobicContact CD1-CE2 3.73Å; Y248-F266 AromaticContact CE1-CE2 3.55Å; Y248-F266 HydrophobicContact CE1-CE2 3.55Å; Y248-F266 HydrophobicContact CE1-CZ 4.02Å |
| 249 | A | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 153 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L204 R237 M238 W240 Y260 R261 | L204-A249 HydrophobicContact CD2-CB 3.85Å; R237-A249 WeakPolarHBondContact CA-O 3.36Å; R237-A249 VanDerWaalsContact CD-O 3.32Å; R237-A249 WeakPolarHBondContact CD-O 3.33Å; M238-A249 PolarHBondContact N-O 3.31Å; M238-A249 PolarHBondContact O-N 3Å; W240-A249 HydrophobicContact CH2-CB 4.33Å; W240-A249 HydrophobicContact CZ3-CB 3.71Å; A249-Y260 HydrophobicContact CB-CG 4.39Å; A249-R261 VanDerWaalsContact CA-O 3.3Å; A249-R261 WeakPolarHBondContact CA-O 3.46Å; A249-R261 WeakPolarHBondContact CB-O 3.43Å |
| 250 | K | 93.5 | Very high | 87.8 | Confident | 88 Ų | 88 | 54.6 Ų | 54.6 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.4 | 175.9 | -178.7 | -174.2 | 172.9 | -180 | 0 | 109.6 | L252 Y260 R261 S263 | K250-L252 PolarHBondContact O-N 3.46Å; K250-Y260 CarbonylContact O-C 3.52Å; K250-Y260 WeakPolarHBondContact O-CA 3.33Å; K250-R261 HydrophobicContact CB-CB 4.5Å; K250-R261 PolarHBondContact N-O 3.23Å; K250-R261 PolarHBondContact O-N 3.26Å; K250-S263 PolarHBondContact N-OG 3.28Å |
| 251 | P | 92.4 | Very high | 87.6 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 138.1 | 172.4 | 25.6 | -33.5 | 0 | 0 | 0 | 110.9 | S253 Y260 | P251-S253 PolarHBondContact O-N 2.76Å; P251-Y260 HydrophobicContact CB-CD1 4.18Å; P251-Y260 HydrophobicContact CB-CE1 4.03Å |
| 252 | L | 88 | Confident | 87.4 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 118 | 175.2 | -72.7 | 169.7 | 0 | 0 | 0 | 109.7 | K250 A254 H259 R261 | K250-L252 PolarHBondContact O-N 3.46Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-H259 WeakPolarHBondContact CB-O 3.5Å; L252-H259 HydrophobicContact CD1-CB 3.81Å; L252-H259 PolarHBondContact N-O 2.95Å; L252-R261 HydrophobicContact CD2-CB 3.91Å; L252-R261 HydrophobicContact CG-CB 4.3Å |
| 253 | S | 74.4 | Confident | 87.2 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 85% | 0.846 | 33% | 0.333 | S | S | * | . | trans | -78.4 | -11.7 | 180 | -52.1 | 0 | 0 | 0 | 0 | 114 | P251 | P251-S253 PolarHBondContact O-N 2.76Š| ||
| 254 | A | 63 | Low | 87 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 69% | 0.686 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -119.5 | 123.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112 | L252 R256 | L252-A254 VanDerWaalsContact C-N 3.32Å; A254-R256 PolarHBondContact O-N 2.92Å |
| 255 | G | 59.6 | Low | 87.1 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 93% | 0.928 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 70.6 | -26.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 256 | R | 67 | Low | 87 | Confident | 164 Ų | 164 | 56.5 Ų | 56.5 | 62% | 0.619 | 31% | 0.311 | S | S | * | . | trans | -127.5 | 77.2 | -177.2 | -65 | -168.1 | -173 | -162.9 | 1.8 | 111.5 | A254 G258 H259 | A254-R256 PolarHBondContact O-N 2.92Å; R256-G258 PolarHBondContact O-N 3.06Å; R256-H259 HydrophobicContact CB-CB 4.06Å; R256-H259 PolarHBondContact O-N 2.86Å | ||
| 257 | R | 71.2 | Confident | 86.9 | Confident | 252 Ų | 252 | 56.9 Ų | 56.9 | 95% | 0.951 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 137.2 | 170.9 | -70 | -173.9 | -176.2 | 179 | 2.3 | 109.1 | H259 | R257-H259 PolarHBondContact O-N 2.78Š|
| 258 | G | 81.6 | Confident | 86.8 | Confident | 46 Ų | 46 | 56.9 Ų | 56.9 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -7.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | R256 Y260 | R256-G258 PolarHBondContact O-N 3.06Å; G258-Y260 WeakPolarHBondContact O-CD2 3.38Å; G258-Y260 VanDerWaalsContact O-CE2 3.26Å; G258-Y260 WeakPolarHBondContact O-CE2 3.28Å |
| 259 | H | 91.6 | Very high | 86.5 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | -95.5 | 151.8 | 176.1 | -68 | 67.4 | 0 | 0 | 0 | 112.4 | L203 L252 R256 R257 | L203-H259 CarbonylContact O-C 3.56Å; L203-H259 WeakPolarHBondContact O-CA 3.43Å; L252-H259 WeakPolarHBondContact CB-O 3.5Å; L252-H259 HydrophobicContact CD1-CB 3.81Å; L252-H259 PolarHBondContact N-O 2.95Å; R256-H259 HydrophobicContact CB-CB 4.06Å; R256-H259 PolarHBondContact O-N 2.86Å; R257-H259 PolarHBondContact O-N 2.78Å | ||
| 260 | Y | 94.2 | Very high | 86.2 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.7 | -175 | -61 | -92.8 | 0 | 0 | 0 | 112.5 | L203 L204 D205 M223 M238 W240 A249 K250 P251 G258 | L203-Y260 HydrophobicContact CB-CD2 4.18Å; L203-Y260 PolarHBondContact O-N 3.11Å; L204-Y260 CarbonylContact C-O 3.58Å; L204-Y260 WeakPolarHBondContact CA-O 3.48Å; D205-Y260 PolarHBondContact N-O 3.01Å; M223-Y260 HydrophobicContact CE-CE1 3.89Å; M223-Y260 WeakPolarHBondContact CE-OH 3.18Å; M238-Y260 HydrophobicContact CB-CD1 3.71Å; M238-Y260 HydrophobicContact CB-CE1 3.41Å; M238-Y260 VanDerWaalsContact CB-CE1 3.41Å; M238-Y260 HydrophobicContact CB-CG 4.48Å; M238-Y260 HydrophobicContact CG-CE1 4.07Å; W240-Y260 HydrophobicContact CH2-CD1 4.32Å; W240-Y260 AromaticContact CH2-CD2 3.78Å; W240-Y260 HydrophobicContact CH2-CD2 3.78Å; W240-Y260 HydrophobicContact CH2-CE2 4.24Å; W240-Y260 AromaticContact CH2-CG 3.82Å; W240-Y260 HydrophobicContact CH2-CG 3.82Å; W240-Y260 HydrophobicContact CZ2-CD2 4.26Å; W240-Y260 HydrophobicContact CZ2-CE2 4.4Å; A249-Y260 HydrophobicContact CB-CG 4.39Å; K250-Y260 CarbonylContact O-C 3.52Å; K250-Y260 WeakPolarHBondContact O-CA 3.33Å; P251-Y260 HydrophobicContact CB-CD1 4.18Å; P251-Y260 HydrophobicContact CB-CE1 4.03Å; G258-Y260 WeakPolarHBondContact O-CD2 3.38Å; G258-Y260 VanDerWaalsContact O-CE2 3.26Å; G258-Y260 WeakPolarHBondContact O-CE2 3.28Å |
| 261 | R | 93.4 | Very high | 86.3 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 39% | 0.389 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 108.6 | 174.5 | -178.3 | 179.1 | -70.3 | 175.2 | 4.7 | 109.5 | A249 K250 L252 S263 | A249-R261 VanDerWaalsContact CA-O 3.3Å; A249-R261 WeakPolarHBondContact CA-O 3.46Å; A249-R261 WeakPolarHBondContact CB-O 3.43Å; K250-R261 HydrophobicContact CB-CB 4.5Å; K250-R261 PolarHBondContact N-O 3.23Å; K250-R261 PolarHBondContact O-N 3.26Å; L252-R261 HydrophobicContact CD2-CB 3.91Å; L252-R261 HydrophobicContact CG-CB 4.3Å; R261-S263 PolarHBondContact O-N 3.44Å; R261-S263 PolarHBondContact O-OG 3.08Å; R261-S263 VanDerWaalsContact O-OG 3.14Å |
| 262 | C | 94 | Very high | 86.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 125.7 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | L204 D205 A208 L247 R334 L337 | L204-C262 HydrophobicContact CD2-CB 4.46Å; D205-C262 VanDerWaalsContact OD1-CB 3.28Å; D205-C262 WeakPolarHBondContact OD1-CB 3.48Å; D205-C262 PolarHBondContact OD1-N 3.45Å; A208-C262 HydrophobicContact CB-CB 3.82Å; L247-C262 WeakPolarHBondContact CD1-SG 3.37Å; C262-R334 PolarHBondContact O-NH1 3.33Å; C262-L337 HydrophobicContact CB-CD1 4.48Å; C262-L337 WeakPolarHBondContact SG-CD1 3.25Å |
| 263 | S | 92.8 | Very high | 86.8 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -47.3 | -172.3 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | Y248 K250 R261 H333 R334 | Y248-S263 WeakPolarHBondContact O-CB 3.5Å; Y248-S263 PolarHBondContact O-N 3.45Å; K250-S263 PolarHBondContact N-OG 3.28Å; R261-S263 PolarHBondContact O-N 3.44Å; R261-S263 PolarHBondContact O-OG 3.08Å; R261-S263 VanDerWaalsContact O-OG 3.14Å; S263-H333 CarbonylContact O-C 3.53Å; S263-R334 PolarHBondContact O-N 3Å |
| 264 | C | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156.4 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | Y248 F266 L332 H333 | Y248-C264 HydrophobicContact CD1-CB 3.98Å; Y248-C264 HydrophobicContact CE1-CB 3.29Å; Y248-C264 PolarHBondContact N-O 3.29Å; Y248-C264 PolarHBondContact O-N 3.1Å; C264-F266 HydrophobicContact CB-CE2 4.26Å; C264-F266 HydrophobicContact CB-CZ 4.26Å; C264-L332 CarbonylContact C-O 3.51Å; C264-L332 VanDerWaalsContact CA-O 3.23Å; C264-L332 WeakPolarHBondContact CA-O 3.42Å; C264-L332 PolarHBondContact SG-O 2.7Å; C264-H333 VanDerWaalsContact SG-CE1 3.53Å; C264-H333 PolarHBondContact SG-ND1 3.14Å |
| 265 | V | 95.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.6 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | P209 I245 L247 P331 L332 L337 | P209-V265 HydrophobicContact CG-CG2 3.84Å; I245-V265 HydrophobicContact CB-CG1 3.91Å; I245-V265 HydrophobicContact CD1-CG1 3.84Å; I245-V265 HydrophobicContact CG1-CG1 4.42Å; I245-V265 HydrophobicContact CG2-CG1 4.04Å; L247-V265 HydrophobicContact CD1-CG2 3.49Å; L247-V265 VanDerWaalsContact CD1-CG2 3.49Å; V265-P331 WeakPolarHBondContact O-CA 3.33Å; V265-L332 HydrophobicContact CB-CB 4.35Å; V265-L332 PolarHBondContact N-O 3.41Å; V265-L332 PolarHBondContact O-N 3.35Å; V265-L337 HydrophobicContact CG2-CD1 4.42Å; V265-L337 HydrophobicContact CG2-CD2 4.25Å |
| 266 | F | 95.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.3 | 176.6 | -63.1 | -75.5 | 0 | 0 | 0 | 110.8 | I245 L246 Y248 C264 L268 L284 C286 D289 V291 P331 | I245-F266 CarbonylContact C-O 3.54Å; I245-F266 WeakPolarHBondContact CA-O 3.2Å; L246-F266 HydrophobicContact CB-CB 4.37Å; L246-F266 PolarHBondContact N-O 2.79Å; L246-F266 PolarHBondContact O-N 3.04Å; Y248-F266 HydrophobicContact CD1-CD2 4.47Å; Y248-F266 AromaticContact CD1-CE2 3.73Å; Y248-F266 HydrophobicContact CD1-CE2 3.73Å; Y248-F266 AromaticContact CE1-CE2 3.55Å; Y248-F266 HydrophobicContact CE1-CE2 3.55Å; Y248-F266 HydrophobicContact CE1-CZ 4.02Å; C264-F266 HydrophobicContact CB-CE2 4.26Å; C264-F266 HydrophobicContact CB-CZ 4.26Å; F266-L268 PolarHBondContact O-N 2.87Å; F266-L284 HydrophobicContact CB-CD2 4.24Å; F266-L284 HydrophobicContact CD1-CD2 4.32Å; F266-L284 HydrophobicContact CD2-CD2 3.65Å; F266-L284 HydrophobicContact CE2-CD2 4.06Å; F266-L284 HydrophobicContact CG-CD2 3.81Å; F266-C286 HydrophobicContact CD1-CB 3.81Å; F266-C286 HydrophobicContact CE1-CB 4.47Å; F266-D289 HydrophobicContact CE1-CB 4.12Å; F266-V291 HydrophobicContact CE1-CG2 4.21Å; F266-V291 HydrophobicContact CE2-CG2 3.95Å; F266-V291 HydrophobicContact CZ-CG2 3.39Å; F266-P331 HydrophobicContact CD1-CB 3.79Å; F266-P331 HydrophobicContact CD1-CG 3.82Å; F266-P331 HydrophobicContact CE1-CB 3.91Å; F266-P331 HydrophobicContact CE1-CG 4.16Å |
| 267 | P | 94.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 115.8 | 168.4 | 28.6 | -31.7 | 0 | 0 | 0 | 110 | R269 H270 C271 S329 | P267-R269 PolarHBondContact O-N 3.41Å; P267-H270 PolarHBondContact O-N 2.89Å; P267-H270 VanDerWaalsContact O-N 3.1Å; P267-C271 PolarHBondContact O-SG 2.97Å; P267-S329 WeakPolarHBondContact CB-OG 3.31Å |
| 268 | L | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -58 | -29.1 | -174.6 | -73.9 | -177.7 | 0 | 0 | 0 | 113.2 | L241 F242 D244 L246 F266 H270 C271 I308 A311 I312 L315 | L241-L268 HydrophobicContact CD1-CD1 3.75Å; L241-L268 HydrophobicContact CD1-CD2 3.99Å; L241-L268 HydrophobicContact CD1-CG 4.42Å; F242-L268 WeakPolarHBondContact O-CD1 3.35Å; D244-L268 WeakPolarHBondContact O-CB 3.32Å; D244-L268 PolarHBondContact O-N 3.43Å; L246-L268 HydrophobicContact CB-CD2 3.87Å; F266-L268 PolarHBondContact O-N 2.87Å; L268-H270 PolarHBondContact O-N 2.97Å; L268-C271 HydrophobicContact CD2-CB 4.49Å; L268-C271 WeakPolarHBondContact O-CB 3.29Å; L268-C271 PolarHBondContact O-N 2.9Å; L268-I308 HydrophobicContact CD2-CG2 4.19Å; L268-A311 HydrophobicContact CD1-CB 3.77Å; L268-I312 HydrophobicContact CB-CG1 4.12Å; L268-I312 HydrophobicContact CD2-CG1 4.39Å; L268-L315 HydrophobicContact CB-CD2 3.99Å |
| 269 | R | 90.2 | Very high | 92 | Very high | 61 Ų | 61 | 49 Ų | 49 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -50.1 | -34.7 | 176.6 | 179.6 | 178.8 | 179.3 | -148.3 | -4.8 | 114.3 | P267 L315 M316 S326 S327 | P267-R269 PolarHBondContact O-N 3.41Å; R269-L315 HydrophobicContact CB-CD2 4.04Å; R269-M316 HydrophobicContact CG-SD 4.45Å; R269-S326 VanDerWaalsContact NH1-CB 3.26Å; R269-S326 VanDerWaalsContact NH2-CB 3.27Å; R269-S326 PolarHBondContact NH2-OG 2.86Å; R269-S327 PolarHBondContact NH1-O 2.73Å; R269-S327 VanDerWaalsContact NH1-O 3.12Å |
| 270 | H | 90.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -105.4 | 7 | -176.9 | -60.2 | -60.5 | 0 | 0 | 0 | 112.3 | P267 L268 C286 K287 S329 | P267-H270 PolarHBondContact O-N 2.89Å; P267-H270 VanDerWaalsContact O-N 3.1Å; L268-H270 PolarHBondContact O-N 2.97Å; H270-C286 WeakPolarHBondContact O-CA 3.47Å; H270-K287 HydrophobicContact CB-CG 3.93Å; H270-K287 VanDerWaalsContact CD2-CE 3.47Å; H270-K287 WeakPolarHBondContact CD2-CE 3.35Å; H270-S329 PolarHBondContact CD2-O 3.34Å; H270-S329 PolarHBondContact NE2-O 3.34Å |
| 271 | C | 94.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 143.1 | -178.6 | -66 | 0 | 0 | 0 | 0 | 111 | P267 L268 L284 I285 C286 I312 | P267-C271 PolarHBondContact O-SG 2.97Å; L268-C271 HydrophobicContact CD2-CB 4.49Å; L268-C271 WeakPolarHBondContact O-CB 3.29Å; L268-C271 PolarHBondContact O-N 2.9Å; C271-L284 HydrophobicContact CB-CD1 3.85Å; C271-I285 CarbonylContact C-O 3.57Å; C271-I285 WeakPolarHBondContact CA-O 3.35Å; C271-C286 VanDerWaalsContact SG-SG 3.66Å; C271-I312 HydrophobicContact CB-CD1 3.97Å; C271-I312 WeakPolarHBondContact O-CD1 3.44Å |
| 272 | V | 95.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139.6 | 166.6 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | I285 | V272-I285 PolarHBondContact N-O 3.29Å; V272-I285 PolarHBondContact O-N 2.95Å |
| 273 | V | 96.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 46.7 Ų | 46.7 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.1 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | F282 R283 L284 V305 I308 E309 | V273-F282 HydrophobicContact CG1-CD2 3.91Å; V273-R283 WeakPolarHBondContact CA-O 3.21Å; V273-L284 HydrophobicContact CG2-CD1 3.94Å; V273-V305 HydrophobicContact CG1-CB 4.28Å; V273-V305 HydrophobicContact CG1-CG1 3.86Å; V273-V305 HydrophobicContact CG1-CG2 3.9Å; V273-I308 HydrophobicContact CG2-CB 3.96Å; V273-I308 HydrophobicContact CG2-CD1 4.46Å; V273-I308 HydrophobicContact CG2-CG2 3.36Å; V273-E309 HydrophobicContact CB-CG 4.4Å |
| 274 | E | 95.5 | Very high | 92.6 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 38% | 0.379 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.6 | 174.9 | -64.1 | 178 | 167.1 | 0 | 0 | 109.8 | F282 R283 I285 | E274-F282 CarbonylContact O-C 3.43Å; E274-F282 VanDerWaalsContact O-CA 3.29Å; E274-F282 WeakPolarHBondContact O-CA 3.45Å; E274-F282 WeakPolarHBondContact O-CB 3.43Å; E274-R283 HydrophobicContact CB-CB 4.34Å; E274-R283 PolarHBondContact N-O 2.75Å; E274-R283 PolarHBondContact O-N 3.17Å; E274-R283 IonicContact OE2-CZ 3.37Å; E274-R283 IonicContact OE2-NH1 3.67Å; E274-R283 PolarHBondContact OE2-NH1 2.97Å; E274-I285 HydrophobicContact CG-CD1 4.08Å; E274-I285 WeakPolarHBondContact OE1-CD1 3.45Å; E274-I285 WeakPolarHBondContact OE2-CD1 3.2Å |
| 275 | R | 94.5 | Very high | 92.7 | Very high | 115 Ų | 115 | 47.5 Ų | 47.5 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 140.2 | 172.3 | -67.6 | -179 | 174.3 | 126.5 | -5.6 | 110 | M301 D302 V305 | R275-M301 HydrophobicContact CG-SD 4.44Å; R275-D302 IonicContact CZ-OD1 2.62Å; R275-D302 IonicContact NE-OD1 3.62Å; R275-D302 IonicContact NH2-OD1 3.84Å; R275-D302 PolarHBondContact NH2-OD1 3.1Å; R275-V305 HydrophobicContact CG-CG1 4.13Å; R275-V305 HydrophobicContact CG-CG2 4.29Å |
| 276 | V | 90.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 26% | 0.261 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.2 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | G278 Q279 M281 R283 | V276-G278 PolarHBondContact O-N 3.4Å; V276-Q279 HydrophobicContact CG1-CB 4.45Å; V276-Q279 PolarHBondContact O-N 3.24Å; V276-M281 HydrophobicContact CB-CB 4.1Å; V276-M281 WeakPolarHBondContact CB-O 3.47Å; V276-M281 HydrophobicContact CG2-CB 4.2Å; V276-M281 PolarHBondContact N-O 3.48Å; V276-R283 HydrophobicContact CG2-CG 4.04Å |
| 277 | L | 82 | Confident | 92.3 | Very high | 165 Ų | 165 | 51 Ų | 51 | 86% | 0.864 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 134.7 | -175.4 | -67.2 | 173.6 | 0 | 0 | 0 | 111.8 | Q279 | L277-Q279 VanDerWaalsContact C-N 3.27Å; L277-Q279 PolarHBondContact O-N 2.94Å |
| 278 | G | 75.9 | Confident | 92 | Very high | 83 Ų | 83 | 58.5 Ų | 58.5 | 86% | 0.856 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 5.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V276 | V276-G278 PolarHBondContact O-N 3.4Š|
| 279 | Q | 86.8 | Confident | 91.9 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 43% | 0.425 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 154.3 | -178.7 | -57.4 | -177.4 | 11.2 | 0 | 0 | 110.9 | V276 L277 M281 M301 | V276-Q279 HydrophobicContact CG1-CB 4.45Å; V276-Q279 PolarHBondContact O-N 3.24Å; L277-Q279 VanDerWaalsContact C-N 3.27Å; L277-Q279 PolarHBondContact O-N 2.94Å; Q279-M281 HydrophobicContact CB-CB 4.18Å; Q279-M281 HydrophobicContact CB-CG 4Å; Q279-M281 PolarHBondContact O-N 3.41Å; Q279-M281 VanDerWaalsContact OE1-CE 3.29Å; Q279-M281 PolarHBondContact OE1-SD 2.82Å; Q279-M281 VanDerWaalsContact OE1-SD 3.36Å; Q279-M301 WeakPolarHBondContact O-CE 3.39Å |
| 280 | S | 93.6 | Very high | 92 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 44.4 | 169.5 | -52 | 0 | 0 | 0 | 0 | 111.4 | R294 A295 Y298 | S280-R294 CarbonylContact O-C 3.57Å; S280-R294 WeakPolarHBondContact O-CA 3.42Å; S280-A295 WeakPolarHBondContact CB-O 3.07Å; S280-A295 PolarHBondContact O-N 3.44Å; S280-Y298 PolarHBondContact OG-N 2.91Å; S280-Y298 VanDerWaalsContact OG-N 3.15Å |
| 281 | M | 94.7 | Very high | 92.2 | Very high | 32 Ų | 32 | 57.4 Ų | 57.4 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.5 | -174.3 | -56.3 | -164.1 | -155.5 | 0 | 0 | 111.9 | F234 V276 Q279 M293 R294 | F234-M281 HydrophobicContact CE1-SD 4.23Å; F234-M281 HydrophobicContact CE2-CE 4.28Å; F234-M281 HydrophobicContact CE2-SD 4.47Å; F234-M281 HydrophobicContact CZ-CE 3.97Å; F234-M281 HydrophobicContact CZ-SD 3.62Å; V276-M281 HydrophobicContact CB-CB 4.1Å; V276-M281 WeakPolarHBondContact CB-O 3.47Å; V276-M281 HydrophobicContact CG2-CB 4.2Å; V276-M281 PolarHBondContact N-O 3.48Å; Q279-M281 HydrophobicContact CB-CB 4.18Å; Q279-M281 HydrophobicContact CB-CG 4Å; Q279-M281 PolarHBondContact O-N 3.41Å; Q279-M281 VanDerWaalsContact OE1-CE 3.29Å; Q279-M281 PolarHBondContact OE1-SD 2.82Å; Q279-M281 VanDerWaalsContact OE1-SD 3.36Å; M281-M293 CarbonylContact C-O 3.49Å; M281-M293 WeakPolarHBondContact CA-O 3.33Å; M281-R294 HydrophobicContact CE-CG 4.24Å; M281-R294 HydrophobicContact CG-CB 3.84Å; M281-R294 HydrophobicContact CG-CG 3.89Å; M281-R294 HydrophobicContact SD-CB 4.28Å; M281-R294 HydrophobicContact SD-CG 4.48Å |
| 282 | F | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154 | 175.8 | 66 | -76.3 | 0 | 0 | 0 | 110.5 | L224 V273 E274 M293 M301 W304 V305 I308 | L224-F282 HydrophobicContact CD1-CE1 4.03Å; L224-F282 HydrophobicContact CD1-CZ 3.75Å; V273-F282 HydrophobicContact CG1-CD2 3.91Å; E274-F282 CarbonylContact O-C 3.43Å; E274-F282 VanDerWaalsContact O-CA 3.29Å; E274-F282 WeakPolarHBondContact O-CA 3.45Å; E274-F282 WeakPolarHBondContact O-CB 3.43Å; F282-M293 HydrophobicContact CD1-CB 4.1Å; F282-M293 HydrophobicContact CD2-CE 3.82Å; F282-M293 HydrophobicContact CE1-CB 3.68Å; F282-M293 HydrophobicContact CE2-CB 4.33Å; F282-M293 HydrophobicContact CE2-CE 3.17Å; F282-M293 HydrophobicContact CE2-SD 3.94Å; F282-M293 HydrophobicContact CZ-CB 3.81Å; F282-M293 HydrophobicContact CZ-CE 3.62Å; F282-M293 HydrophobicContact CZ-CG 4.4Å; F282-M293 HydrophobicContact CZ-SD 3.73Å; F282-M293 PolarHBondContact N-O 2.92Å; F282-M293 PolarHBondContact O-N 3.05Å; F282-M301 HydrophobicContact CB-CG 4.36Å; F282-M301 HydrophobicContact CB-SD 4.45Å; F282-M301 HydrophobicContact CD1-CG 3.55Å; F282-M301 HydrophobicContact CE1-CG 4.24Å; F282-M301 HydrophobicContact CG-CG 4.31Å; F282-W304 HydrophobicContact CE1-CB 4.28Å; F282-W304 HydrophobicContact CZ-CB 3.97Å; F282-V305 HydrophobicContact CB-CG2 3.77Å; F282-V305 HydrophobicContact CD1-CG2 4.27Å; F282-V305 HydrophobicContact CD2-CG2 3.96Å; F282-V305 HydrophobicContact CG-CG2 3.76Å; F282-I308 HydrophobicContact CE2-CD1 3.83Å; F282-I308 HydrophobicContact CZ-CD1 4.45Å |
| 283 | R | 95.8 | Very high | 92.2 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.4 | 178.3 | -52.8 | 175.1 | 70.6 | -141.8 | 10.8 | 108.4 | V273 E274 V276 V291 I292 | V273-R283 WeakPolarHBondContact CA-O 3.21Å; E274-R283 HydrophobicContact CB-CB 4.34Å; E274-R283 PolarHBondContact N-O 2.75Å; E274-R283 PolarHBondContact O-N 3.17Å; E274-R283 IonicContact OE2-CZ 3.37Å; E274-R283 IonicContact OE2-NH1 3.67Å; E274-R283 PolarHBondContact OE2-NH1 2.97Å; V276-R283 HydrophobicContact CG2-CG 4.04Å; R283-V291 WeakPolarHBondContact CA-O 3.5Å; R283-I292 HydrophobicContact CG-CG1 4.22Å |
| 284 | L | 96.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.4 | 164.2 | -177.1 | 83.7 | 0 | 0 | 0 | 107.6 | L246 F266 C271 V273 V291 M293 I308 | L246-L284 HydrophobicContact CD2-CD1 4.2Å; L246-L284 HydrophobicContact CD2-CD2 3.66Å; F266-L284 HydrophobicContact CB-CD2 4.24Å; F266-L284 HydrophobicContact CD1-CD2 4.32Å; F266-L284 HydrophobicContact CD2-CD2 3.65Å; F266-L284 HydrophobicContact CE2-CD2 4.06Å; F266-L284 HydrophobicContact CG-CD2 3.81Å; C271-L284 HydrophobicContact CB-CD1 3.85Å; V273-L284 HydrophobicContact CG2-CD1 3.94Å; L284-V291 HydrophobicContact CB-CB 4.49Å; L284-V291 PolarHBondContact N-O 2.97Å; L284-V291 PolarHBondContact O-N 2.75Å; L284-M293 HydrophobicContact CB-CE 3.55Å; L284-I308 HydrophobicContact CD1-CG2 4.3Å |
| 285 | I | 96 | Very high | 92.2 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 19% | 0.185 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122 | 176 | -57.7 | 171.5 | 0 | 0 | 0 | 106.9 | C271 V272 E274 D289 V290 | C271-I285 CarbonylContact C-O 3.57Å; C271-I285 WeakPolarHBondContact CA-O 3.35Å; V272-I285 PolarHBondContact N-O 3.29Å; V272-I285 PolarHBondContact O-N 2.95Å; E274-I285 HydrophobicContact CG-CD1 4.08Å; E274-I285 WeakPolarHBondContact OE1-CD1 3.45Å; E274-I285 WeakPolarHBondContact OE2-CD1 3.2Å; I285-D289 CarbonylContact C-O 3.59Å; I285-D289 WeakPolarHBondContact CA-O 3.39Å; I285-V290 HydrophobicContact CG1-CG1 4.4Å; I285-V290 HydrophobicContact CG1-CG2 4.26Å; I285-V290 HydrophobicContact CG2-CG2 4.44Å |
| 286 | C | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 98.4 | 176.8 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | F266 H270 C271 D288 D289 P331 | F266-C286 HydrophobicContact CD1-CB 3.81Å; F266-C286 HydrophobicContact CE1-CB 4.47Å; H270-C286 WeakPolarHBondContact O-CA 3.47Å; C271-C286 VanDerWaalsContact SG-SG 3.66Å; C286-D288 PolarHBondContact O-N 3.26Å; C286-D289 PolarHBondContact N-O 3.37Å; C286-D289 PolarHBondContact O-N 2.76Å; C286-D289 VanDerWaalsContact O-N 3.13Å; C286-P331 HydrophobicContact CB-CG 4.09Å; C286-P331 VanDerWaalsContact SG-CG 3.52Å |
| 287 | K | 89.8 | Confident | 92.2 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -122.1 | -166.9 | -52 | -173 | -178.7 | -174.3 | 0 | 110 | H270 D289 S329 I330 | H270-K287 HydrophobicContact CB-CG 3.93Å; H270-K287 VanDerWaalsContact CD2-CE 3.47Å; H270-K287 WeakPolarHBondContact CD2-CE 3.35Å; K287-D289 VanDerWaalsContact C-N 3.32Å; K287-S329 WeakPolarHBondContact CE-O 3.43Å; K287-S329 PolarHBondContact NZ-O 3.3Å; K287-I330 HydrophobicContact CD-CG1 4.4Å; K287-I330 VanDerWaalsContact NZ-CG1 3.33Å |
| 288 | D | 88.7 | Confident | 92.8 | Very high | 165 Ų | 165 | 56.8 Ų | 56.8 | 88% | 0.882 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.1 | -178.9 | -50.2 | -51.9 | 0 | 0 | 0 | 113.4 | C286 | C286-D288 PolarHBondContact O-N 3.26Š|
| 289 | D | 91.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131.7 | 178.1 | -81.7 | -48.1 | 0 | 0 | 0 | 111.9 | F266 I285 C286 K287 P331 H333 | F266-D289 HydrophobicContact CE1-CB 4.12Å; I285-D289 CarbonylContact C-O 3.59Å; I285-D289 WeakPolarHBondContact CA-O 3.39Å; C286-D289 PolarHBondContact N-O 3.37Å; C286-D289 PolarHBondContact O-N 2.76Å; C286-D289 VanDerWaalsContact O-N 3.13Å; K287-D289 VanDerWaalsContact C-N 3.32Å; D289-P331 HydrophobicContact CB-CG 4.36Å; D289-P331 WeakPolarHBondContact OD2-CB 3.26Å; D289-P331 WeakPolarHBondContact OD2-CG 3.43Å; D289-H333 VanDerWaalsContact CG-NE2 3.3Å; D289-H333 IonicContact OD1-CE1 3.82Å; D289-H333 IonicContact OD1-NE2 2.83Å; D289-H333 PolarHBondContact OD1-NE2 2.85Å; D289-H333 IonicContact OD2-CD2 2.92Å; D289-H333 IonicContact OD2-CE1 3.37Å; D289-H333 IonicContact OD2-NE2 3.67Å; D289-H333 PolarHBondContact OD2-NE2 2.85Å |
| 290 | V | 93.2 | Very high | 94.1 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 30% | 0.303 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | 171 | -176.9 | 0 | 0 | 0 | 0 | 110 | I285 | I285-V290 HydrophobicContact CG1-CG1 4.4Å; I285-V290 HydrophobicContact CG1-CG2 4.26Å; I285-V290 HydrophobicContact CG2-CG2 4.44Å |
| 291 | V | 93.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.6 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | K226 F266 R283 L284 M293 | K226-V291 HydrophobicContact CD-CG1 4.05Å; K226-V291 HydrophobicContact CG-CG1 3.79Å; F266-V291 HydrophobicContact CE1-CG2 4.21Å; F266-V291 HydrophobicContact CE2-CG2 3.95Å; F266-V291 HydrophobicContact CZ-CG2 3.39Å; R283-V291 WeakPolarHBondContact CA-O 3.5Å; L284-V291 HydrophobicContact CB-CB 4.49Å; L284-V291 PolarHBondContact N-O 2.97Å; L284-V291 PolarHBondContact O-N 2.75Å; V291-M293 HydrophobicContact CG1-CG 4.05Å |
| 292 | I | 94.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126 | 173.5 | -50.1 | -174.5 | 0 | 0 | 0 | 108.7 | M227 R283 | M227-I292 HydrophobicContact CB-CB 3.9Å; M227-I292 HydrophobicContact CB-CG2 4.44Å; M227-I292 PolarHBondContact N-O 2.88Å; M227-I292 HydrophobicContact SD-CB 4.03Å; M227-I292 HydrophobicContact SD-CD1 3.75Å; M227-I292 HydrophobicContact SD-CG1 4.33Å; M227-I292 HydrophobicContact SD-CG2 4.2Å; R283-I292 HydrophobicContact CG-CG1 4.22Å |
| 293 | M | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.2 | 179.6 | -70.4 | 171.4 | -80.2 | 0 | 0 | 110.2 | L224 D225 F239 M281 F282 L284 V291 | L224-M293 HydrophobicContact CD1-CB 4.4Å; L224-M293 HydrophobicContact CD1-SD 3.92Å; D225-M293 CarbonylContact O-C 3.56Å; D225-M293 WeakPolarHBondContact O-CA 3.47Å; F239-M293 HydrophobicContact CD1-SD 3.98Å; F239-M293 HydrophobicContact CE1-CG 4.22Å; F239-M293 HydrophobicContact CE1-SD 3.29Å; F239-M293 WeakPolarHBondContact CE1-SD 3.05Å; F239-M293 HydrophobicContact CE2-SD 4.33Å; F239-M293 HydrophobicContact CZ-CG 3.84Å; F239-M293 HydrophobicContact CZ-SD 3.51Å; F239-M293 VanDerWaalsContact CZ-SD 3.51Å; M281-M293 CarbonylContact C-O 3.49Å; M281-M293 WeakPolarHBondContact CA-O 3.33Å; F282-M293 HydrophobicContact CD1-CB 4.1Å; F282-M293 HydrophobicContact CD2-CE 3.82Å; F282-M293 HydrophobicContact CE1-CB 3.68Å; F282-M293 HydrophobicContact CE2-CB 4.33Å; F282-M293 HydrophobicContact CE2-CE 3.17Å; F282-M293 HydrophobicContact CE2-SD 3.94Å; F282-M293 HydrophobicContact CZ-CB 3.81Å; F282-M293 HydrophobicContact CZ-CE 3.62Å; F282-M293 HydrophobicContact CZ-CG 4.4Å; F282-M293 HydrophobicContact CZ-SD 3.73Å; F282-M293 PolarHBondContact N-O 2.92Å; F282-M293 PolarHBondContact O-N 3.05Å; L284-M293 HydrophobicContact CB-CE 3.55Å; V291-M293 HydrophobicContact CG1-CG 4.05Å |
| 294 | R | 95.5 | Very high | 94.3 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.2 | 173.7 | 178.6 | -179.3 | 73.4 | -179.4 | 3.6 | 109.3 | D225 F234 S280 M281 | D225-R294 HydrophobicContact CB-CB 4.04Å; D225-R294 WeakPolarHBondContact CB-O 3.46Å; D225-R294 PolarHBondContact N-O 2.92Å; D225-R294 PolarHBondContact O-N 3.33Å; D225-R294 IonicContact OD2-CZ 3.84Å; D225-R294 IonicContact OD2-NE 3.29Å; D225-R294 PolarHBondContact OD2-NE 2.99Å; D225-R294 IonicContact OD2-NH2 2.64Å; D225-R294 PolarHBondContact OD2-NH2 3.17Å; F234-R294 HydrophobicContact CD1-CB 3.9Å; F234-R294 HydrophobicContact CE1-CB 3.65Å; F234-R294 HydrophobicContact CZ-CB 4.34Å; S280-R294 CarbonylContact O-C 3.57Å; S280-R294 WeakPolarHBondContact O-CA 3.42Å; M281-R294 HydrophobicContact CE-CG 4.24Å; M281-R294 HydrophobicContact CG-CB 3.84Å; M281-R294 HydrophobicContact CG-CG 3.89Å; M281-R294 HydrophobicContact SD-CB 4.28Å; M281-R294 HydrophobicContact SD-CG 4.48Å |
| 295 | A | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | trans | -97.6 | 162.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L224 S280 Q297 V300 M301 | L224-A295 HydrophobicContact CD2-CB 3.72Å; S280-A295 WeakPolarHBondContact CB-O 3.07Å; S280-A295 PolarHBondContact O-N 3.44Å; A295-Q297 VanDerWaalsContact C-N 3.28Å; A295-Q297 PolarHBondContact O-N 3.42Å; A295-V300 HydrophobicContact CB-CB 4.11Å; A295-V300 HydrophobicContact CB-CG1 4.02Å; A295-M301 HydrophobicContact CB-CB 3.78Å | ||
| 296 | D | 93.1 | Very high | 94.3 | Very high | 107 Ų | 107 | 58 Ų | 58 | 57% | 0.572 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -71.2 | -27.6 | 179.3 | -56.8 | -30.6 | 0 | 0 | 0 | 111.9 | R236 | R236-D296 IonicContact CZ-OD1 2.76Å; R236-D296 IonicContact CZ-OD2 3.24Å; R236-D296 IonicContact NH1-OD1 3.41Å; R236-D296 PolarHBondContact NH1-OD1 3.22Å; R236-D296 IonicContact NH1-OD2 2.7Å; R236-D296 PolarHBondContact NH1-OD2 2.96Å; R236-D296 IonicContact NH2-OD1 3.71Å; R236-D296 IonicContact NH2-OD2 2.72Å; R236-D296 PolarHBondContact NH2-OD2 3.35Å |
| 297 | Q | 93.6 | Very high | 94.5 | Very high | 121 Ų | 121 | 59 Ų | 59 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -137.9 | 155.2 | 179.7 | -65.3 | -178.1 | -13.3 | 0 | 0 | 110.8 | A295 S299 V300 M301 | A295-Q297 VanDerWaalsContact C-N 3.28Å; A295-Q297 PolarHBondContact O-N 3.42Å; Q297-S299 PolarHBondContact O-N 2.92Å; Q297-S299 PolarHBondContact OE1-OG 2.91Å; Q297-V300 HydrophobicContact CB-CG2 4.23Å; Q297-V300 PolarHBondContact O-N 2.82Å; Q297-M301 PolarHBondContact O-N 2.95Å; Q297-M301 VanDerWaalsContact O-N 3.14Å |
| 298 | Y | 93.5 | Very high | 94.9 | Very high | 127 Ų | 127 | 55 Ų | 55 | 50% | 0.498 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 176.2 | -175.2 | -86.2 | 0 | 0 | 0 | 112.2 | S280 V300 M301 D302 | S280-Y298 PolarHBondContact OG-N 2.91Å; S280-Y298 VanDerWaalsContact OG-N 3.15Å; Y298-V300 VanDerWaalsContact C-N 3.35Å; Y298-V300 PolarHBondContact O-N 2.84Å; Y298-M301 HydrophobicContact CD2-CE 3.41Å; Y298-M301 VanDerWaalsContact CD2-CE 3.41Å; Y298-M301 HydrophobicContact CE2-CE 3.26Å; Y298-M301 HydrophobicContact CG-CE 4.13Å; Y298-M301 WeakPolarHBondContact O-CB 3.26Å; Y298-M301 PolarHBondContact O-N 2.76Å; Y298-D302 HydrophobicContact CE1-CB 4.33Å; Y298-D302 WeakPolarHBondContact O-CB 3.46Å; Y298-D302 PolarHBondContact O-N 2.87Å |
| 299 | S | 94.3 | Very high | 95.3 | Very high | 58 Ų | 58 | 51 Ų | 51 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.6 | -47 | 176 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | Q297 M301 D302 E303 | Q297-S299 PolarHBondContact O-N 2.92Å; Q297-S299 PolarHBondContact OE1-OG 2.91Å; S299-M301 PolarHBondContact O-N 3.24Å; S299-D302 PolarHBondContact O-N 3.38Å; S299-E303 WeakPolarHBondContact O-CG 3.47Å; S299-E303 PolarHBondContact O-N 3.25Å |
| 300 | V | 95.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 26% | 0.255 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | A295 Q297 Y298 D302 E303 W304 | A295-V300 HydrophobicContact CB-CB 4.11Å; A295-V300 HydrophobicContact CB-CG1 4.02Å; Q297-V300 HydrophobicContact CB-CG2 4.23Å; Q297-V300 PolarHBondContact O-N 2.82Å; Y298-V300 VanDerWaalsContact C-N 3.35Å; Y298-V300 PolarHBondContact O-N 2.84Å; V300-D302 VanDerWaalsContact C-N 3.34Å; V300-E303 PolarHBondContact O-N 2.84Å; V300-W304 PolarHBondContact O-N 2.84Å; V300-W304 VanDerWaalsContact O-N 3.13Å |
| 301 | M | 95.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.2 | 178 | -90 | -64.9 | 0 | 0 | 111.1 | R275 Q279 F282 A295 Q297 Y298 S299 E303 W304 V305 | R275-M301 HydrophobicContact CG-SD 4.44Å; Q279-M301 WeakPolarHBondContact O-CE 3.39Å; F282-M301 HydrophobicContact CB-CG 4.36Å; F282-M301 HydrophobicContact CB-SD 4.45Å; F282-M301 HydrophobicContact CD1-CG 3.55Å; F282-M301 HydrophobicContact CE1-CG 4.24Å; F282-M301 HydrophobicContact CG-CG 4.31Å; A295-M301 HydrophobicContact CB-CB 3.78Å; Q297-M301 PolarHBondContact O-N 2.95Å; Q297-M301 VanDerWaalsContact O-N 3.14Å; Y298-M301 HydrophobicContact CD2-CE 3.41Å; Y298-M301 VanDerWaalsContact CD2-CE 3.41Å; Y298-M301 HydrophobicContact CE2-CE 3.26Å; Y298-M301 HydrophobicContact CG-CE 4.13Å; Y298-M301 WeakPolarHBondContact O-CB 3.26Å; Y298-M301 PolarHBondContact O-N 2.76Å; S299-M301 PolarHBondContact O-N 3.24Å; M301-E303 PolarHBondContact O-N 2.86Å; M301-W304 PolarHBondContact O-N 3.3Å; M301-W304 VanDerWaalsContact O-N 3.14Å; M301-V305 HydrophobicContact CG-CG2 4.36Å; M301-V305 WeakPolarHBondContact O-CG2 3.48Å; M301-V305 PolarHBondContact O-N 3.34Å; M301-V305 HydrophobicContact SD-CG2 3.74Å |
| 302 | D | 95 | Very high | 95.9 | Very high | 58 Ų | 58 | 55 Ų | 55 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | -179.3 | -166.9 | 54.3 | 0 | 0 | 0 | 112.1 | R275 Y298 S299 V300 W304 V305 F306 | R275-D302 IonicContact CZ-OD1 2.62Å; R275-D302 IonicContact NE-OD1 3.62Å; R275-D302 IonicContact NH2-OD1 3.84Å; R275-D302 PolarHBondContact NH2-OD1 3.1Å; Y298-D302 HydrophobicContact CE1-CB 4.33Å; Y298-D302 WeakPolarHBondContact O-CB 3.46Å; Y298-D302 PolarHBondContact O-N 2.87Å; S299-D302 PolarHBondContact O-N 3.38Å; V300-D302 VanDerWaalsContact C-N 3.34Å; D302-W304 VanDerWaalsContact C-N 3.32Å; D302-W304 PolarHBondContact O-N 3.37Å; D302-V305 PolarHBondContact O-N 2.72Å; D302-F306 VanDerWaalsContact O-CB 3.3Å; D302-F306 WeakPolarHBondContact O-CB 3.42Å; D302-F306 PolarHBondContact O-N 2.92Å |
| 303 | E | 96.4 | Very high | 95.9 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 173.2 | -73.1 | 177.7 | -162.4 | 0 | 0 | 113 | K220 S299 V300 M301 A307 | K220-E303 IonicContact NZ-OE2 2.75Å; K220-E303 PolarHBondContact NZ-OE2 3.06Å; S299-E303 WeakPolarHBondContact O-CG 3.47Å; S299-E303 PolarHBondContact O-N 3.25Å; V300-E303 PolarHBondContact O-N 2.84Å; M301-E303 PolarHBondContact O-N 2.86Å; E303-A307 WeakPolarHBondContact O-CB 3.43Å; E303-A307 PolarHBondContact O-N 3.48Å |
| 304 | W | 97.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 59.6 Ų | 59.6 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 177.3 | -87.6 | 104.8 | 0 | 0 | 0 | 111.8 | K220 L224 F239 L241 L246 F282 V300 M301 D302 A307 I308 | K220-W304 HydrophobicContact CB-CH2 4.4Å; K220-W304 HydrophobicContact CB-CZ3 4.33Å; K220-W304 HydrophobicContact CD-CD2 3.81Å; K220-W304 HydrophobicContact CD-CE3 4.01Å; K220-W304 HydrophobicContact CD-CG 4.23Å; K220-W304 HydrophobicContact CD-CH2 4.49Å; K220-W304 HydrophobicContact CD-CZ2 4.32Å; K220-W304 HydrophobicContact CD-CZ3 4.35Å; K220-W304 HydrophobicContact CG-CD2 4.49Å; K220-W304 HydrophobicContact CG-CE3 4.48Å; K220-W304 HydrophobicContact CG-CH2 4.15Å; K220-W304 HydrophobicContact CG-CZ2 4.15Å; K220-W304 HydrophobicContact CG-CZ3 4.33Å; L224-W304 HydrophobicContact CD1-CD2 3.93Å; L224-W304 HydrophobicContact CD1-CE3 4.46Å; L224-W304 HydrophobicContact CD1-CG 4.04Å; L224-W304 HydrophobicContact CD1-CZ2 4.47Å; L224-W304 HydrophobicContact CD2-CG 4.46Å; F239-W304 HydrophobicContact CB-CH2 3.6Å; F239-W304 HydrophobicContact CB-CZ2 4.16Å; F239-W304 HydrophobicContact CB-CZ3 4.1Å; L241-W304 HydrophobicContact CB-CZ3 3.97Å; L246-W304 HydrophobicContact CD1-CZ3 4.38Å; F282-W304 HydrophobicContact CE1-CB 4.28Å; F282-W304 HydrophobicContact CZ-CB 3.97Å; V300-W304 PolarHBondContact O-N 2.84Å; V300-W304 VanDerWaalsContact O-N 3.13Å; M301-W304 PolarHBondContact O-N 3.3Å; M301-W304 VanDerWaalsContact O-N 3.14Å; D302-W304 VanDerWaalsContact C-N 3.32Å; D302-W304 PolarHBondContact O-N 3.37Å; W304-A307 PolarHBondContact O-N 3.24Å; W304-I308 HydrophobicContact CE3-CD1 4.43Å; W304-I308 WeakPolarHBondContact O-CD1 3.48Å; W304-I308 WeakPolarHBondContact O-CG1 3.25Å; W304-I308 PolarHBondContact O-N 3.11Å |
| 305 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -52.4 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | V273 R275 F282 M301 D302 A307 I308 E309 | V273-V305 HydrophobicContact CG1-CB 4.28Å; V273-V305 HydrophobicContact CG1-CG1 3.86Å; V273-V305 HydrophobicContact CG1-CG2 3.9Å; R275-V305 HydrophobicContact CG-CG1 4.13Å; R275-V305 HydrophobicContact CG-CG2 4.29Å; F282-V305 HydrophobicContact CB-CG2 3.77Å; F282-V305 HydrophobicContact CD1-CG2 4.27Å; F282-V305 HydrophobicContact CD2-CG2 3.96Å; F282-V305 HydrophobicContact CG-CG2 3.76Å; M301-V305 HydrophobicContact CG-CG2 4.36Å; M301-V305 WeakPolarHBondContact O-CG2 3.48Å; M301-V305 PolarHBondContact O-N 3.34Å; M301-V305 HydrophobicContact SD-CG2 3.74Å; D302-V305 PolarHBondContact O-N 2.72Å; V305-A307 VanDerWaalsContact C-N 3.33Å; V305-A307 PolarHBondContact O-N 3.22Å; V305-I308 PolarHBondContact O-N 3.12Å; V305-E309 HydrophobicContact CG1-CG 4.3Å; V305-E309 WeakPolarHBondContact O-CB 3.46Å; V305-E309 WeakPolarHBondContact O-CG 3.48Å; V305-E309 PolarHBondContact O-N 3.07Å |
| 306 | F | 97 | Very high | 95.4 | Very high | 119 Ų | 119 | 60.9 Ų | 60.9 | 52% | 0.522 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 178 | 179.5 | -99.8 | 0 | 0 | 0 | 112.4 | D302 R310 | D302-F306 VanDerWaalsContact O-CB 3.3Å; D302-F306 WeakPolarHBondContact O-CB 3.42Å; D302-F306 PolarHBondContact O-N 2.92Å; F306-R310 WeakPolarHBondContact O-CB 3.33Å; F306-R310 PolarHBondContact O-N 3.16Å |
| 307 | A | 97.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | K220 L241 E303 W304 V305 A311 | K220-A307 HydrophobicContact CD-CB 4.04Å; L241-A307 HydrophobicContact CD2-CB 3.72Å; E303-A307 WeakPolarHBondContact O-CB 3.43Å; E303-A307 PolarHBondContact O-N 3.48Å; W304-A307 PolarHBondContact O-N 3.24Å; V305-A307 VanDerWaalsContact C-N 3.33Å; V305-A307 PolarHBondContact O-N 3.22Å; A307-A311 VanDerWaalsContact O-CB 3.3Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.42Å |
| 308 | I | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 178.8 | -64.2 | 163.4 | 0 | 0 | 0 | 110.4 | L241 L246 L268 V273 F282 L284 W304 V305 R310 A311 I312 | L241-I308 HydrophobicContact CD1-CG1 4.05Å; L241-I308 HydrophobicContact CD2-CG1 3.99Å; L246-I308 HydrophobicContact CD2-CD1 4.11Å; L268-I308 HydrophobicContact CD2-CG2 4.19Å; V273-I308 HydrophobicContact CG2-CB 3.96Å; V273-I308 HydrophobicContact CG2-CD1 4.46Å; V273-I308 HydrophobicContact CG2-CG2 3.36Å; F282-I308 HydrophobicContact CE2-CD1 3.83Å; F282-I308 HydrophobicContact CZ-CD1 4.45Å; L284-I308 HydrophobicContact CD1-CG2 4.3Å; W304-I308 HydrophobicContact CE3-CD1 4.43Å; W304-I308 WeakPolarHBondContact O-CD1 3.48Å; W304-I308 WeakPolarHBondContact O-CG1 3.25Å; W304-I308 PolarHBondContact O-N 3.11Å; V305-I308 PolarHBondContact O-N 3.12Å; I308-R310 VanDerWaalsContact C-N 3.35Å; I308-R310 PolarHBondContact O-N 2.82Å; I308-A311 PolarHBondContact O-N 3.3Å; I308-I312 HydrophobicContact CG2-CD1 3.71Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.37Å; I308-I312 PolarHBondContact O-N 3.08Å |
| 309 | E | 97.4 | Very high | 94.3 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 177.9 | -73.1 | 176.4 | 159.8 | 0 | 0 | 111.4 | V273 V305 A311 I312 A313 | V273-E309 HydrophobicContact CB-CG 4.4Å; V305-E309 HydrophobicContact CG1-CG 4.3Å; V305-E309 WeakPolarHBondContact O-CB 3.46Å; V305-E309 WeakPolarHBondContact O-CG 3.48Å; V305-E309 PolarHBondContact O-N 3.07Å; E309-A311 PolarHBondContact O-N 2.86Å; E309-I312 PolarHBondContact O-N 3.38Å; E309-A313 WeakPolarHBondContact O-CB 3.14Å; E309-A313 PolarHBondContact O-N 3.06Å |
| 310 | R | 97.5 | Very high | 93.7 | Very high | 144 Ų | 144 | 62.8 Ų | 62.8 | 54% | 0.543 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.4 | -179.5 | 179.2 | 165.6 | -176.7 | -0.9 | 112 | F306 I308 A313 Q314 | F306-R310 WeakPolarHBondContact O-CB 3.33Å; F306-R310 PolarHBondContact O-N 3.16Å; I308-R310 VanDerWaalsContact C-N 3.35Å; I308-R310 PolarHBondContact O-N 2.82Å; R310-A313 PolarHBondContact O-N 3.38Å; R310-Q314 HydrophobicContact CG-CG 4.45Å; R310-Q314 WeakPolarHBondContact O-CB 3.33Å; R310-Q314 VanDerWaalsContact O-CG 3.3Å; R310-Q314 WeakPolarHBondContact O-CG 3.45Å; R310-Q314 PolarHBondContact O-N 3.19Å |
| 311 | A | 97.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L219 L241 L268 A307 I308 E309 L315 | L219-A311 HydrophobicContact CD1-CB 3.51Å; L241-A311 HydrophobicContact CD1-CB 4.41Å; L241-A311 HydrophobicContact CD2-CB 4.48Å; L268-A311 HydrophobicContact CD1-CB 3.77Å; A307-A311 VanDerWaalsContact O-CB 3.3Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.42Å; I308-A311 PolarHBondContact O-N 3.3Å; E309-A311 PolarHBondContact O-N 2.86Å; A311-L315 VanDerWaalsContact O-CB 3.27Å; A311-L315 WeakPolarHBondContact O-CB 3.38Å; A311-L315 PolarHBondContact O-N 3.48Å |
| 312 | I | 96.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -48.4 | 175.5 | -66.2 | 164 | 0 | 0 | 0 | 110.4 | L268 C271 I308 E309 Q314 L315 M316 | L268-I312 HydrophobicContact CB-CG1 4.12Å; L268-I312 HydrophobicContact CD2-CG1 4.39Å; C271-I312 HydrophobicContact CB-CD1 3.97Å; C271-I312 WeakPolarHBondContact O-CD1 3.44Å; I308-I312 HydrophobicContact CG2-CD1 3.71Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.37Å; I308-I312 PolarHBondContact O-N 3.08Å; E309-I312 PolarHBondContact O-N 3.38Å; I312-Q314 PolarHBondContact O-N 2.84Å; I312-L315 PolarHBondContact O-N 2.94Å; I312-M316 HydrophobicContact CG2-CG 4.38Å; I312-M316 VanDerWaalsContact O-CG 3.27Å; I312-M316 WeakPolarHBondContact O-CG 3.2Å; I312-M316 PolarHBondContact O-N 2.9Å |
| 313 | A | 95.2 | Very high | 90.3 | Very high | 63 Ų | 63 | 80 Ų | 80 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E309 R310 M316 E317 | E309-A313 WeakPolarHBondContact O-CB 3.14Å; E309-A313 PolarHBondContact O-N 3.06Å; R310-A313 PolarHBondContact O-N 3.38Å; A313-M316 PolarHBondContact O-N 2.91Å; A313-E317 PolarHBondContact O-N 2.79Å |
| 314 | Q | 93.5 | Very high | 88.8 | Confident | 84 Ų | 84 | 83.8 Ų | 83.8 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.7 | -72.6 | -179.1 | -19.7 | 0 | 0 | 112.2 | R310 I312 M316 E317 C318 | R310-Q314 HydrophobicContact CG-CG 4.45Å; R310-Q314 WeakPolarHBondContact O-CB 3.33Å; R310-Q314 VanDerWaalsContact O-CG 3.3Å; R310-Q314 WeakPolarHBondContact O-CG 3.45Å; R310-Q314 PolarHBondContact O-N 3.19Å; I312-Q314 PolarHBondContact O-N 2.84Å; Q314-M316 VanDerWaalsContact C-N 3.31Å; Q314-M316 PolarHBondContact O-N 3.29Å; Q314-E317 PolarHBondContact O-N 3.36Å; Q314-C318 WeakPolarHBondContact O-CB 3.46Å; Q314-C318 PolarHBondContact O-N 2.86Å; Q314-C318 PolarHBondContact O-SG 3.31Å |
| 315 | L | 92.1 | Very high | 86.9 | Confident | 30 Ų | 30 | 92 Ų | 92 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.5 | 179.2 | 64.9 | 0 | 0 | 0 | 111.6 | D244 L268 R269 A311 I312 R319 | D244-L315 HydrophobicContact CB-CD1 4.38Å; L268-L315 HydrophobicContact CB-CD2 3.99Å; R269-L315 HydrophobicContact CB-CD2 4.04Å; A311-L315 VanDerWaalsContact O-CB 3.27Å; A311-L315 WeakPolarHBondContact O-CB 3.38Å; A311-L315 PolarHBondContact O-N 3.48Å; I312-L315 PolarHBondContact O-N 2.94Å; L315-R319 VanDerWaalsContact O-CG 3.29Å; L315-R319 WeakPolarHBondContact O-CG 3.34Å; L315-R319 PolarHBondContact O-N 3.07Å |
| 316 | M | 89.7 | Confident | 85 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 178.4 | -66.9 | -63.3 | -87.1 | 0 | 0 | 111.2 | R269 I312 A313 Q314 R319 R320 | R269-M316 HydrophobicContact CG-SD 4.45Å; I312-M316 HydrophobicContact CG2-CG 4.38Å; I312-M316 VanDerWaalsContact O-CG 3.27Å; I312-M316 WeakPolarHBondContact O-CG 3.2Å; I312-M316 PolarHBondContact O-N 2.9Å; A313-M316 PolarHBondContact O-N 2.91Å; Q314-M316 VanDerWaalsContact C-N 3.31Å; Q314-M316 PolarHBondContact O-N 3.29Å; M316-R319 PolarHBondContact O-N 3.06Å; M316-R320 PolarHBondContact O-N 3.09Å |
| 317 | E | 90 | Very high | 83.2 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 175.8 | -172.2 | 55.5 | -145.4 | 0 | 0 | 112 | A313 Q314 R319 R320 | A313-E317 PolarHBondContact O-N 2.79Å; Q314-E317 PolarHBondContact O-N 3.36Å; E317-R319 PolarHBondContact O-N 3.22Å; E317-R319 VanDerWaalsContact O-N 3.08Å; E317-R320 WeakPolarHBondContact O-CB 3.36Å; E317-R320 PolarHBondContact O-N 2.97Å; E317-R320 WeakPolarHBondContact OE2-CD 3.43Å; E317-R320 IonicContact OE2-CZ 3.84Å; E317-R320 IonicContact OE2-NE 3.66Å; E317-R320 IonicContact OE2-NH1 2.76Å; E317-R320 PolarHBondContact OE2-NH1 2.72Å |
| 318 | C | 85.7 | Confident | 81.4 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -23.8 | 177.8 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | Q314 S321 | Q314-C318 WeakPolarHBondContact O-CB 3.46Å; Q314-C318 PolarHBondContact O-N 2.86Å; Q314-C318 PolarHBondContact O-SG 3.31Å; C318-S321 PolarHBondContact O-OG 3.02Å |
| 319 | R | 81.8 | Confident | 80.3 | Confident | 73 Ų | 73 | 99.6 Ų | 99.6 | 28% | 0.275 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -85.1 | -21.3 | 177.3 | -74.7 | -173.1 | 76.1 | 113.1 | 8.6 | 113.8 | L315 M316 E317 S321 L322 | L315-R319 VanDerWaalsContact O-CG 3.29Å; L315-R319 WeakPolarHBondContact O-CG 3.34Å; L315-R319 PolarHBondContact O-N 3.07Å; M316-R319 PolarHBondContact O-N 3.06Å; E317-R319 PolarHBondContact O-N 3.22Å; E317-R319 VanDerWaalsContact O-N 3.08Å; R319-S321 PolarHBondContact O-N 2.81Å; R319-L322 HydrophobicContact CG-CD1 4.33Å; R319-L322 WeakPolarHBondContact O-CB 3.32Å; R319-L322 PolarHBondContact O-N 2.99Å |
| 320 | R | 81.5 | Confident | 79.5 | Confident | 192 Ų | 192 | 100.6 Ų | 100.6 | 73% | 0.725 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -28.3 | 177.5 | -71.4 | 175.6 | -178.9 | 172.7 | -7.7 | 111.9 | M316 E317 | M316-R320 PolarHBondContact O-N 3.09Å; E317-R320 WeakPolarHBondContact O-CB 3.36Å; E317-R320 PolarHBondContact O-N 2.97Å; E317-R320 WeakPolarHBondContact OE2-CD 3.43Å; E317-R320 IonicContact OE2-CZ 3.84Å; E317-R320 IonicContact OE2-NE 3.66Å; E317-R320 IonicContact OE2-NH1 2.76Å; E317-R320 PolarHBondContact OE2-NH1 2.72Å |
| 321 | S | 77.1 | Confident | 78.8 | Confident | 98 Ų | 98 | 94 Ų | 94 | 69% | 0.685 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.7 | 175.3 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | C318 R319 | C318-S321 PolarHBondContact O-OG 3.02Å; R319-S321 PolarHBondContact O-N 2.81Å |
| 322 | L | 70.4 | Confident | 78.3 | Confident | 110 Ų | 110 | 96 Ų | 96 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | trans | -95.3 | 115.6 | -176.7 | -68.1 | 173.2 | 0 | 0 | 0 | 111.2 | R319 K324 | R319-L322 HydrophobicContact CG-CD1 4.33Å; R319-L322 WeakPolarHBondContact O-CB 3.32Å; R319-L322 PolarHBondContact O-N 2.99Å; L322-K324 PolarHBondContact O-N 2.7Å; L322-K324 VanDerWaalsContact O-N 3.11Å | ||
| 323 | R | 66.4 | Low | 77.8 | Confident | 256 Ų | 256 | 97 Ų | 97 | 97% | 0.966 | 50% | 0.5 | S | S | * | . | trans | -71.2 | 2.3 | 176.8 | -63 | -177 | -177.9 | 170.4 | 0 | 114.9 | ||||
| 324 | K | 66.8 | Low | 77.4 | Confident | 179 Ų | 179 | 96 Ų | 96 | 78% | 0.778 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -92.4 | 128.3 | -173.8 | -169.5 | 173.3 | -178.2 | 173.2 | 0 | 111.4 | L322 | L322-K324 PolarHBondContact O-N 2.7Å; L322-K324 VanDerWaalsContact O-N 3.11Å |
| 325 | E | 57 | Low | 76.8 | Confident | 179 Ų | 179 | 95.8 Ų | 95.8 | 84% | 0.836 | 49% | 0.488 | S | S | * | . | trans | -57.5 | 141.7 | 173.5 | -121.2 | 162.8 | -160.1 | 0 | 0 | 112.4 | S327 | E325-S327 PolarHBondContact O-N 2.91Š| ||
| 326 | S | 55.5 | Low | 76.3 | Confident | 69 Ų | 69 | 98 Ų | 98 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | trans | -35.3 | 122.9 | 174.1 | -52 | 0 | 0 | 0 | 0 | 115.5 | R269 | R269-S326 VanDerWaalsContact NH1-CB 3.26Å; R269-S326 VanDerWaalsContact NH2-CB 3.27Å; R269-S326 PolarHBondContact NH2-OG 2.86Å | ||
| 327 | S | 59.4 | Low | 75.9 | Confident | 78 Ų | 78 | 93.9 Ų | 93.9 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | trans | -71.9 | 138.3 | 154 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | R269 E325 S329 | R269-S327 PolarHBondContact NH1-O 2.73Å; R269-S327 VanDerWaalsContact NH1-O 3.12Å; E325-S327 PolarHBondContact O-N 2.91Å; S327-S329 PolarHBondContact O-N 3.13Å | ||
| 328 | S | 60.1 | Low | 75.3 | Confident | 102 Ų | 102 | 95.1 Ų | 95.1 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | trans | -75.3 | 53.4 | 178.8 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | I330 | S328-I330 PolarHBondContact O-N 3.38Š| ||
| 329 | S | 76.6 | Confident | 74.9 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 34% | 0.343 | 48% | 0.478 | S | S | . | . | trans | -65.6 | 129.7 | -178.8 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | P267 H270 K287 S327 | P267-S329 WeakPolarHBondContact CB-OG 3.31Å; H270-S329 PolarHBondContact CD2-O 3.34Å; H270-S329 PolarHBondContact NE2-O 3.34Å; K287-S329 WeakPolarHBondContact CE-O 3.43Å; K287-S329 PolarHBondContact NZ-O 3.3Å; S327-S329 PolarHBondContact O-N 3.13Å | ||
| 330 | I | 80.5 | Confident | 74.6 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | trans | -121 | 151.5 | -179.8 | -64 | 161.2 | 0 | 0 | 0 | 106.8 | K287 S328 L332 | K287-I330 HydrophobicContact CD-CG1 4.4Å; K287-I330 VanDerWaalsContact NZ-CG1 3.33Å; S328-I330 PolarHBondContact O-N 3.38Å; I330-L332 PolarHBondContact O-N 2.74Å | ||
| 331 | P | 82.8 | Confident | 74 | Confident | 7 Ų | 7 | 92.4 Ų | 92.4 | 5% | 0.045 | 47% | 0.467 | C | S | . | . | trans | -46.8 | 131.3 | 169.1 | -30.1 | 37.3 | 0 | 0 | 0 | 112.5 | V265 F266 C286 D289 | V265-P331 WeakPolarHBondContact O-CA 3.33Å; F266-P331 HydrophobicContact CD1-CB 3.79Å; F266-P331 HydrophobicContact CD1-CG 3.82Å; F266-P331 HydrophobicContact CE1-CB 3.91Å; F266-P331 HydrophobicContact CE1-CG 4.16Å; C286-P331 HydrophobicContact CB-CG 4.09Å; C286-P331 VanDerWaalsContact SG-CG 3.52Å; D289-P331 HydrophobicContact CB-CG 4.36Å; D289-P331 WeakPolarHBondContact OD2-CB 3.26Å; D289-P331 WeakPolarHBondContact OD2-CG 3.43Å | ||
| 332 | L | 85.7 | Confident | 73.5 | Confident | 42 Ų | 42 | 94.1 Ų | 94.1 | 22% | 0.22 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 99 | 178.5 | -63.7 | 174 | 0 | 0 | 0 | 109 | C264 V265 I330 E336 L337 | C264-L332 CarbonylContact C-O 3.51Å; C264-L332 VanDerWaalsContact CA-O 3.23Å; C264-L332 WeakPolarHBondContact CA-O 3.42Å; C264-L332 PolarHBondContact SG-O 2.7Å; V265-L332 HydrophobicContact CB-CB 4.35Å; V265-L332 PolarHBondContact N-O 3.41Å; V265-L332 PolarHBondContact O-N 3.35Å; I330-L332 PolarHBondContact O-N 2.74Å; L332-E336 HydrophobicContact CD2-CB 4.14Å; L332-L337 HydrophobicContact CB-CD2 3.95Å; L332-L337 HydrophobicContact CB-CG 4.19Å; L332-L337 HydrophobicContact CD1-CD2 4.36Å |
| 333 | H | 86.7 | Confident | 73.4 | Confident | 49 Ų | 49 | 98.2 Ų | 98.2 | 23% | 0.227 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 173.4 | 173 | -61 | -86.9 | 0 | 0 | 0 | 110.9 | S263 C264 D289 P335 E336 L337 | S263-H333 CarbonylContact O-C 3.53Å; C264-H333 VanDerWaalsContact SG-CE1 3.53Å; C264-H333 PolarHBondContact SG-ND1 3.14Å; D289-H333 VanDerWaalsContact CG-NE2 3.3Å; D289-H333 IonicContact OD1-CE1 3.82Å; D289-H333 IonicContact OD1-NE2 2.83Å; D289-H333 PolarHBondContact OD1-NE2 2.85Å; D289-H333 IonicContact OD2-CD2 2.92Å; D289-H333 IonicContact OD2-CE1 3.37Å; D289-H333 IonicContact OD2-NE2 3.67Å; D289-H333 PolarHBondContact OD2-NE2 2.85Å; H333-P335 VanDerWaalsContact C-CD 3.45Å; H333-E336 VanDerWaalsContact CA-OE2 3.31Å; H333-E336 WeakPolarHBondContact CA-OE2 3.36Å; H333-E336 VanDerWaalsContact CB-OE2 3.22Å; H333-E336 WeakPolarHBondContact CB-OE2 3.33Å; H333-E336 PolarHBondContact N-OE2 2.89Å; H333-E336 PolarHBondContact O-N 3.4Å; H333-E336 VanDerWaalsContact O-N 3.14Å; H333-L337 VanDerWaalsContact O-CG 3.32Å; H333-L337 WeakPolarHBondContact O-CG 3.28Å; H333-L337 PolarHBondContact O-N 3.5Å |
| 334 | R | 85.1 | Confident | 73.6 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -55.2 | -41.1 | -174.4 | -173.2 | 169.6 | -177.9 | 76.3 | 0.5 | 114.7 | D205 C262 S263 E336 L337 R338 | D205-R334 IonicContact OD1-NH1 3.66Å; D205-R334 IonicContact OD2-CZ 2.7Å; D205-R334 IonicContact OD2-NH1 2.69Å; D205-R334 PolarHBondContact OD2-NH1 3.07Å; D205-R334 IonicContact OD2-NH2 3.41Å; D205-R334 PolarHBondContact OD2-NH2 2.77Å; C262-R334 PolarHBondContact O-NH1 3.33Å; S263-R334 PolarHBondContact O-N 3Å; R334-E336 VanDerWaalsContact C-N 3.34Å; R334-L337 PolarHBondContact O-N 2.79Å; R334-R338 WeakPolarHBondContact O-CG 3.47Å; R334-R338 PolarHBondContact O-N 2.97Å; R334-R338 VanDerWaalsContact O-N 3.1Å |
| 335 | P | 81.1 | Confident | 73.7 | Confident | 79 Ų | 79 | 83.1 Ų | 83.1 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.6 | -24.2 | 35.7 | 0 | 0 | 0 | 112.4 | H333 R338 L339 | H333-P335 VanDerWaalsContact C-CD 3.45Å; P335-R338 WeakPolarHBondContact O-CB 3.3Å; P335-R338 PolarHBondContact O-N 3.35Å; P335-L339 WeakPolarHBondContact O-CG 3.41Å; P335-L339 PolarHBondContact O-N 3.5Å; P335-L339 VanDerWaalsContact O-N 3.11Å |
| 336 | E | 81.8 | Confident | 74.1 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | -179.3 | -63.1 | 68.9 | -146.6 | 0 | 0 | 111.3 | L332 H333 R334 R338 L339 Q340 | L332-E336 HydrophobicContact CD2-CB 4.14Å; H333-E336 VanDerWaalsContact CA-OE2 3.31Å; H333-E336 WeakPolarHBondContact CA-OE2 3.36Å; H333-E336 VanDerWaalsContact CB-OE2 3.22Å; H333-E336 WeakPolarHBondContact CB-OE2 3.33Å; H333-E336 PolarHBondContact N-OE2 2.89Å; H333-E336 PolarHBondContact O-N 3.4Å; H333-E336 VanDerWaalsContact O-N 3.14Å; R334-E336 VanDerWaalsContact C-N 3.34Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 PolarHBondContact O-N 3.11Å; E336-L339 PolarHBondContact O-N 2.92Å; E336-Q340 PolarHBondContact O-N 2.82Å |
| 337 | L | 81.8 | Confident | 74.6 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.5 | -71.3 | 173.6 | 0 | 0 | 0 | 112.3 | P209 C262 V265 L332 H333 R334 R341 | P209-L337 HydrophobicContact CG-CD2 4.39Å; C262-L337 HydrophobicContact CB-CD1 4.48Å; C262-L337 WeakPolarHBondContact SG-CD1 3.25Å; V265-L337 HydrophobicContact CG2-CD1 4.42Å; V265-L337 HydrophobicContact CG2-CD2 4.25Å; L332-L337 HydrophobicContact CB-CD2 3.95Å; L332-L337 HydrophobicContact CB-CG 4.19Å; L332-L337 HydrophobicContact CD1-CD2 4.36Å; H333-L337 VanDerWaalsContact O-CG 3.32Å; H333-L337 WeakPolarHBondContact O-CG 3.28Å; H333-L337 PolarHBondContact O-N 3.5Å; R334-L337 PolarHBondContact O-N 2.79Å; L337-R341 PolarHBondContact O-N 2.86Å |
| 338 | R | 78.4 | Confident | 75.1 | Confident | 128 Ų | 128 | 81.5 Ų | 81.5 | 48% | 0.483 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 173.5 | -75.9 | 176.5 | 164.2 | -176.5 | -8.1 | 111.5 | C207 R334 P335 E336 Q340 R341 H342 | C207-R338 HydrophobicContact CB-CG 4.5Å; R334-R338 WeakPolarHBondContact O-CG 3.47Å; R334-R338 PolarHBondContact O-N 2.97Å; R334-R338 VanDerWaalsContact O-N 3.1Å; P335-R338 WeakPolarHBondContact O-CB 3.3Å; P335-R338 PolarHBondContact O-N 3.35Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 PolarHBondContact O-N 3.11Å; R338-Q340 PolarHBondContact O-N 2.89Å; R338-R341 WeakPolarHBondContact O-CB 3.3Å; R338-R341 PolarHBondContact O-N 3.01Å; R338-H342 PolarHBondContact O-CD2 3.29Å; R338-H342 PolarHBondContact O-N 2.65Å; R338-H342 VanDerWaalsContact O-N 3.16Å |
| 339 | L | 76.4 | Confident | 75.6 | Confident | 112 Ų | 112 | 83.4 Ų | 83.4 | 59% | 0.586 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 178.9 | -70.7 | 171 | 0 | 0 | 0 | 112.2 | P335 E336 R341 H342 R343 | P335-L339 WeakPolarHBondContact O-CG 3.41Å; P335-L339 PolarHBondContact O-N 3.5Å; P335-L339 VanDerWaalsContact O-N 3.11Å; E336-L339 PolarHBondContact O-N 2.92Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2.87Å; L339-H342 PolarHBondContact O-N 3.05Å; L339-R343 PolarHBondContact O-N 3.01Å; L339-R343 VanDerWaalsContact O-N 3.08Å |
| 340 | Q | 74.7 | Confident | 75.1 | Confident | 89 Ų | 89 | 85 Ų | 85 | 42% | 0.416 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 176 | -76.4 | -172.9 | -5.5 | 0 | 0 | 112.2 | E336 R338 R343 S344 | E336-Q340 PolarHBondContact O-N 2.82Å; R338-Q340 PolarHBondContact O-N 2.89Å; Q340-R343 PolarHBondContact O-N 3.14Å; Q340-S344 PolarHBondContact O-N 3.25Å; Q340-S344 PolarHBondContact O-OG 2.93Å |
| 341 | R | 70.6 | Confident | 74.5 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176 | -175.6 | -172.7 | 177.5 | 162.9 | 3.3 | 112.8 | S206 L337 R338 L339 R343 S344 T345 | S206-R341 VanDerWaalsContact CB-CZ 3.45Å; S206-R341 WeakPolarHBondContact O-CD 3.45Å; S206-R341 PolarHBondContact O-NE 3.01Å; S206-R341 PolarHBondContact O-NH1 2.97Å; S206-R341 VanDerWaalsContact O-NH1 3.15Å; S206-R341 VanDerWaalsContact OG-CZ 3.25Å; S206-R341 PolarHBondContact OG-NH1 3.44Å; S206-R341 PolarHBondContact OG-NH2 3.46Å; S206-R341 VanDerWaalsContact OG-NH2 3.08Å; L337-R341 PolarHBondContact O-N 2.86Å; R338-R341 WeakPolarHBondContact O-CB 3.3Å; R338-R341 PolarHBondContact O-N 3.01Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2.87Å; R341-R343 VanDerWaalsContact C-N 3.3Å; R341-R343 PolarHBondContact O-N 3.34Å; R341-S344 WeakPolarHBondContact CA-OG 3.22Å; R341-S344 PolarHBondContact O-N 3.2Å; R341-S344 PolarHBondContact O-OG 3.27Å; R341-T345 WeakPolarHBondContact O-CB 3.32Å; R341-T345 PolarHBondContact O-N 3.45Å; R341-T345 PolarHBondContact O-OG1 2.88Å |
| 342 | H | 66.5 | Low | 73.7 | Confident | 133 Ų | 133 | 86.7 Ų | 86.7 | 62% | 0.616 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 176.5 | -74.3 | -70.4 | 0 | 0 | 0 | 111.1 | R338 L339 F346 | R338-H342 PolarHBondContact O-CD2 3.29Å; R338-H342 PolarHBondContact O-N 2.65Å; R338-H342 VanDerWaalsContact O-N 3.16Å; L339-H342 PolarHBondContact O-N 3.05Å; H342-F346 WeakPolarHBondContact O-CB 3.23Å; H342-F346 PolarHBondContact O-N 3.3Å |
| 343 | R | 67.4 | Low | 72.4 | Confident | 196 Ų | 196 | 92 Ų | 92 | 74% | 0.74 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62 | -48.6 | 174.3 | -71.1 | -176.9 | 174.2 | -177.6 | -1.2 | 112.3 | L339 Q340 R341 T345 F346 T347 | L339-R343 PolarHBondContact O-N 3.01Å; L339-R343 VanDerWaalsContact O-N 3.08Å; Q340-R343 PolarHBondContact O-N 3.14Å; R341-R343 VanDerWaalsContact C-N 3.3Å; R341-R343 PolarHBondContact O-N 3.34Å; R343-T345 PolarHBondContact O-N 3.22Å; R343-F346 PolarHBondContact O-N 3.49Å; R343-T347 WeakPolarHBondContact O-CG2 3.34Å; R343-T347 PolarHBondContact O-N 2.72Å; R343-T347 PolarHBondContact O-OG1 2.83Å |
| 344 | S | 70.1 | Confident | 70.8 | Confident | 59 Ų | 59 | 98.2 Ų | 98.2 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 180 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | Q340 R341 F346 T347 T348 | Q340-S344 PolarHBondContact O-N 3.25Å; Q340-S344 PolarHBondContact O-OG 2.93Å; R341-S344 WeakPolarHBondContact CA-OG 3.22Å; R341-S344 PolarHBondContact O-N 3.2Å; R341-S344 PolarHBondContact O-OG 3.27Å; S344-F346 VanDerWaalsContact C-N 3.29Å; S344-F346 PolarHBondContact O-N 3.49Å; S344-T347 WeakPolarHBondContact CA-OG1 3.46Å; S344-T347 PolarHBondContact O-N 2.92Å; S344-T347 VanDerWaalsContact O-N 3.16Å; S344-T347 PolarHBondContact O-OG1 2.89Å; S344-T348 PolarHBondContact O-N 3.44Å; S344-T348 PolarHBondContact O-OG1 3.47Å |
| 345 | T | 70 | Confident | 69.3 | Low | 59 Ų | 59 | 103.6 Ų | 103.6 | 36% | 0.362 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 177.5 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | R341 R343 T348 K349 | R341-T345 WeakPolarHBondContact O-CB 3.32Å; R341-T345 PolarHBondContact O-N 3.45Å; R341-T345 PolarHBondContact O-OG1 2.88Å; R343-T345 PolarHBondContact O-N 3.22Å; T345-T348 PolarHBondContact O-N 3.33Å; T345-K349 WeakPolarHBondContact O-CG 3.31Å; T345-K349 PolarHBondContact O-N 3.18Å; T345-K349 VanDerWaalsContact O-N 3.08Å |
| 346 | F | 65.6 | Low | 67.8 | Low | 131 Ų | 131 | 107.1 Ų | 107.1 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -47 | 175.6 | -178.9 | -102.5 | 0 | 0 | 0 | 112.1 | H342 R343 S344 T348 K349 L350 | H342-F346 WeakPolarHBondContact O-CB 3.23Å; H342-F346 PolarHBondContact O-N 3.3Å; R343-F346 PolarHBondContact O-N 3.49Å; S344-F346 VanDerWaalsContact C-N 3.29Å; S344-F346 PolarHBondContact O-N 3.49Å; F346-T348 VanDerWaalsContact C-N 3.33Å; F346-T348 PolarHBondContact O-N 2.88Å; F346-K349 PolarHBondContact O-N 3.1Å; F346-L350 HydrophobicContact CD1-CD1 3.83Å; F346-L350 HydrophobicContact CE1-CD1 3.34Å; F346-L350 HydrophobicContact CE1-CG 4.21Å; F346-L350 HydrophobicContact CZ-CD1 3.82Å; F346-L350 HydrophobicContact CZ-CG 4.32Å; F346-L350 PolarHBondContact O-N 3.08Å |
| 347 | T | 66.3 | Low | 65.9 | Low | 72 Ų | 72 | 108.5 Ų | 108.5 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 176.8 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | R343 S344 L350 N351 | R343-T347 WeakPolarHBondContact O-CG2 3.34Å; R343-T347 PolarHBondContact O-N 2.72Å; R343-T347 PolarHBondContact O-OG1 2.83Å; S344-T347 WeakPolarHBondContact CA-OG1 3.46Å; S344-T347 PolarHBondContact O-N 2.92Å; S344-T347 VanDerWaalsContact O-N 3.16Å; S344-T347 PolarHBondContact O-OG1 2.89Å; T347-L350 PolarHBondContact O-N 2.78Å; T347-N351 PolarHBondContact O-N 3.14Å |
| 348 | T | 69.1 | Low | 64.1 | Low | 90 Ų | 90 | 114.3 Ų | 114.3 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -41.4 | 175.8 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | S344 T345 F346 N351 A352 | S344-T348 PolarHBondContact O-N 3.44Å; S344-T348 PolarHBondContact O-OG1 3.47Å; T345-T348 PolarHBondContact O-N 3.33Å; F346-T348 VanDerWaalsContact C-N 3.33Å; F346-T348 PolarHBondContact O-N 2.88Å; T348-N351 PolarHBondContact O-N 3.47Å; T348-A352 WeakPolarHBondContact O-CB 3.47Å; T348-A352 PolarHBondContact O-N 3.15Å |
| 349 | K | 71 | Confident | 62.2 | Low | 142 Ų | 142 | 114.2 Ų | 114.2 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.8 | -39.3 | 175.1 | -73.3 | 179.1 | 178.6 | -173.2 | 0 | 112.4 | T345 F346 K353 | T345-K349 WeakPolarHBondContact O-CG 3.31Å; T345-K349 PolarHBondContact O-N 3.18Å; T345-K349 VanDerWaalsContact O-N 3.08Å; F346-K349 PolarHBondContact O-N 3.1Å; K349-K353 PolarHBondContact O-N 2.99Å |
| 350 | L | 66.1 | Low | 60.3 | Low | 83 Ų | 83 | 113.8 Ų | 113.8 | 44% | 0.435 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.5 | -43.3 | 174.5 | -77.8 | 172.4 | 0 | 0 | 0 | 112.3 | F346 T347 K353 R354 | F346-L350 HydrophobicContact CD1-CD1 3.83Å; F346-L350 HydrophobicContact CE1-CD1 3.34Å; F346-L350 HydrophobicContact CE1-CG 4.21Å; F346-L350 HydrophobicContact CZ-CD1 3.82Å; F346-L350 HydrophobicContact CZ-CG 4.32Å; F346-L350 PolarHBondContact O-N 3.08Å; T347-L350 PolarHBondContact O-N 2.78Å; L350-K353 PolarHBondContact O-N 3.23Å; L350-R354 PolarHBondContact O-N 3.34Å; L350-R354 VanDerWaalsContact O-N 3.11Å |
| 351 | N | 66.6 | Low | 58.2 | Low | 93 Ų | 93 | 115.4 Ų | 115.4 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.4 | -33.4 | 179.4 | -72.5 | -13 | 0 | 0 | 0 | 112.9 | T347 T348 R354 K355 | T347-N351 PolarHBondContact O-N 3.14Å; T348-N351 PolarHBondContact O-N 3.47Å; N351-R354 PolarHBondContact O-N 3.41Å; N351-K355 PolarHBondContact O-N 3.28Å |
| 352 | A | 66.4 | Low | 56.5 | Low | 49 Ų | 49 | 120 Ų | 120 | 41% | 0.405 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.1 | -45.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T348 R354 K355 E356 | T348-A352 WeakPolarHBondContact O-CB 3.47Å; T348-A352 PolarHBondContact O-N 3.15Å; A352-R354 VanDerWaalsContact C-N 3.31Å; A352-R354 PolarHBondContact O-N 3.29Å; A352-K355 PolarHBondContact O-N 2.97Å; A352-E356 PolarHBondContact O-N 3.43Å |
| 353 | K | 57.9 | Low | 54.7 | Low | 152 Ų | 152 | 121.5 Ų | 121.5 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.2 | -35.8 | 173.6 | -79.8 | -170.1 | 170.7 | -167.8 | 0 | 113.5 | K349 L350 | K349-K353 PolarHBondContact O-N 2.99Å; L350-K353 PolarHBondContact O-N 3.23Å |
| 354 | R | 53.3 | Low | 53 | Low | 181 Ų | 181 | 124 Ų | 124 | 68% | 0.683 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69 | -42.3 | 174.2 | -77.9 | -177 | 174.9 | 179.2 | -3.1 | 112.2 | L350 N351 A352 E356 C357 D358 | L350-R354 PolarHBondContact O-N 3.34Å; L350-R354 VanDerWaalsContact O-N 3.11Å; N351-R354 PolarHBondContact O-N 3.41Å; A352-R354 VanDerWaalsContact C-N 3.31Å; A352-R354 PolarHBondContact O-N 3.29Å; R354-E356 VanDerWaalsContact C-N 3.35Å; R354-E356 PolarHBondContact O-N 3.1Å; R354-C357 WeakPolarHBondContact O-CB 3.44Å; R354-C357 PolarHBondContact O-N 3.49Å; R354-D358 PolarHBondContact O-N 2.94Å |
| 355 | K | 54.8 | Low | 51.3 | Low | 155 Ų | 155 | 130 Ų | 130 | 67% | 0.674 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.8 | -35.5 | 178.1 | -81.7 | -170.8 | 172.3 | -167.3 | 0 | 112.9 | N351 A352 C357 D358 V359 | N351-K355 PolarHBondContact O-N 3.28Å; A352-K355 PolarHBondContact O-N 2.97Å; K355-C357 PolarHBondContact O-N 3.18Å; K355-D358 PolarHBondContact O-N 2.94Å; K355-V359 WeakPolarHBondContact O-CG2 3.48Å; K355-V359 PolarHBondContact O-N 3.36Å |
| 356 | E | 49.1 | Very low | 50.1 | Low | 153 Ų | 153 | 131 Ų | 131 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59.3 | -25.4 | 171.9 | -78.7 | 172.3 | 175.2 | 0 | 0 | 112.6 | A352 R354 | A352-E356 PolarHBondContact O-N 3.43Å; R354-E356 VanDerWaalsContact C-N 3.35Å; R354-E356 PolarHBondContact O-N 3.1Å |
| 357 | C | 42.2 | Very low | 48.9 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 72% | 0.723 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -83.8 | -17.1 | 172.5 | -68.2 | 0 | 0 | 0 | 0 | 114.4 | R354 K355 | R354-C357 WeakPolarHBondContact O-CB 3.44Å; R354-C357 PolarHBondContact O-N 3.49Å; K355-C357 PolarHBondContact O-N 3.18Å |
| 358 | D | 43.1 | Very low | 47.7 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 65% | 0.652 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -103.6 | 3.2 | -174.8 | -78.7 | -28.6 | 0 | 0 | 0 | 113.8 | R354 K355 S360 | R354-D358 PolarHBondContact O-N 2.94Å; K355-D358 PolarHBondContact O-N 2.94Å; D358-S360 PolarHBondContact O-N 3.16Å |
| 359 | V | 39.2 | Very low | 46.6 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 47.7 | -178.1 | -167.9 | 0 | 0 | 0 | 0 | 113 | K355 | K355-V359 WeakPolarHBondContact O-CG2 3.48Å; K355-V359 PolarHBondContact O-N 3.36Å |
| 360 | S | 35.5 | Very low | 45.8 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 0.8 | 174.2 | 46.9 | 0 | 0 | 0 | 0 | 115 | D358 | D358-S360 PolarHBondContact O-N 3.16Š|
| 361 | T | 31.4 | Very low | 44.9 | Very low | 123 Ų | 123 | 147 Ų | 147 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -150.8 | 142.1 | -178.4 | 7.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 362 | E | 34.9 | Very low | 44.2 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | 98.7 | 88.2 | 162.9 | -59.3 | -173.6 | 156.5 | 0 | 0 | 119.4 | ||||
| 363 | N | 28.4 | Very low | 43.6 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 88% | 0.882 | 72% | 0.719 | S | S | * | * | trans | -89.6 | 119.7 | 143.4 | -95.8 | -25.6 | 0 | 0 | 0 | 108.6 | ||||
| 364 | R | 31.6 | Very low | 43.5 | Very low | 250 Ų | 250 | 142.6 Ų | 142.6 | 94% | 0.943 | 71% | 0.705 | S | S | * | * | trans | -167.5 | 118.9 | 155.2 | -107.6 | 170.2 | -163.9 | -159.9 | 5.5 | 112.8 | ||||
| 365 | E | 34 | Very low | 43.5 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | trans | -148.9 | 159 | 155 | -103.2 | -142.7 | 163.7 | 0 | 0 | 107.8 | ||||
| 366 | P | 44.9 | Very low | 43.6 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 51% | 0.513 | 67% | 0.667 | S | S | . | * | cis | -138.3 | 143.4 | -22 | 33.6 | -13.9 | 0 | 0 | 0 | 114.7 | R368 | P366-R368 VanDerWaalsContact C-N 3.29Å; P366-R368 PolarHBondContact O-N 2.72Å | ||
| 367 | E | 40.4 | Very low | 44.3 | Very low | 184 Ų | 184 | 127 Ų | 127 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -3.1 | 178 | -70.2 | 178.6 | 149 | 0 | 0 | 115.7 | R369 | E367-R369 PolarHBondContact O-N 3.41Š|
| 368 | R | 41.1 | Very low | 45.2 | Very low | 218 Ų | 218 | 128.1 Ų | 128.1 | 82% | 0.823 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -23.9 | -167.9 | -81.6 | -173.1 | 173.5 | -167.6 | -0.3 | 116.1 | P366 N370 | P366-R368 VanDerWaalsContact C-N 3.29Å; P366-R368 PolarHBondContact O-N 2.72Å; R368-N370 PolarHBondContact O-N 3.18Å |
| 369 | R | 46.1 | Very low | 45.7 | Very low | 213 Ų | 213 | 123 Ų | 123 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.3 | -25.3 | -176.7 | -73.9 | -179.7 | 178.1 | 157.7 | -0.5 | 113.3 | E367 | E367-R369 PolarHBondContact O-N 3.41Å |
| 370 | N | 54.1 | Low | 46.6 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 68% | 0.684 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75.8 | -25.8 | -175.7 | -73.8 | -10.4 | 0 | 0 | 0 | 113.9 | R368 F372 S374 | R368-N370 PolarHBondContact O-N 3.18Å; N370-F372 PolarHBondContact O-N 2.95Å; N370-S374 PolarHBondContact O-N 2.95Å |
| 371 | L | 48.6 | Very low | 47.6 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66 | -43.3 | -174.9 | -158.3 | 77.7 | 0 | 0 | 0 | 111.8 | S374 L375 | L371-S374 PolarHBondContact O-N 3.48Å; L371-S374 PolarHBondContact O-OG 3.49Å; L371-L375 HydrophobicContact CG-CD1 4.48Å; L371-L375 WeakPolarHBondContact O-CB 3.37Å; L371-L375 PolarHBondContact O-N 3.48Å; L371-L375 VanDerWaalsContact O-N 3.15Å |
| 372 | F | 50.8 | Low | 48.7 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.3 | -40.4 | -177.7 | -73.3 | -79.5 | 0 | 0 | 0 | 113.2 | L92 N370 S374 L375 F376 | L92-F372 HydrophobicContact CD1-CE1 4.32Å; L92-F372 HydrophobicContact CD2-CE1 3.92Å; L92-F372 HydrophobicContact CD2-CZ 3.78Å; L92-F372 HydrophobicContact CG-CE1 4.49Å; N370-F372 PolarHBondContact O-N 2.95Å; F372-S374 VanDerWaalsContact C-N 3.33Å; F372-S374 PolarHBondContact O-N 3.08Å; F372-L375 WeakPolarHBondContact O-CB 3.37Å; F372-L375 PolarHBondContact O-N 3.23Å; F372-F376 PolarHBondContact O-N 3.37Å |
| 373 | A | 53.6 | Low | 49.3 | Very low | 67 Ų | 67 | 115.6 Ų | 115.6 | 55% | 0.554 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L375 F376 A377 | A373-L375 VanDerWaalsContact C-N 3.26Å; A373-L375 PolarHBondContact O-N 3.35Å; A373-F376 PolarHBondContact O-N 2.87Å; A373-A377 PolarHBondContact O-N 3.11Å; A373-A377 VanDerWaalsContact O-N 3.14Å |
| 374 | S | 56.8 | Low | 50.1 | Low | 52 Ų | 52 | 111.2 Ų | 111.2 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -32 | 176.4 | 85.1 | 0 | 0 | 0 | 0 | 113 | N370 L371 F372 K378 | N370-S374 PolarHBondContact O-N 2.95Å; L371-S374 PolarHBondContact O-N 3.48Å; L371-S374 PolarHBondContact O-OG 3.49Å; F372-S374 VanDerWaalsContact C-N 3.33Å; F372-S374 PolarHBondContact O-N 3.08Å; S374-K378 WeakPolarHBondContact O-CG 3.39Å; S374-K378 PolarHBondContact O-N 3.02Å |
| 375 | L | 53.6 | Low | 50.9 | Low | 39 Ų | 39 | 103.5 Ų | 103.5 | 20% | 0.204 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -76.1 | -42.2 | -179.1 | -109.2 | 153.4 | 0 | 0 | 0 | 112 | F89 L371 F372 A373 A377 K378 L379 | F89-L375 HydrophobicContact CD1-CD1 4.4Å; F89-L375 HydrophobicContact CE1-CD1 3.43Å; F89-L375 VanDerWaalsContact CE1-CD1 3.43Å; F89-L375 HydrophobicContact CE1-CD2 3.51Å; F89-L375 HydrophobicContact CE1-CG 4.05Å; F89-L375 HydrophobicContact CE2-CD2 3.96Å; F89-L375 HydrophobicContact CZ-CD1 3.98Å; F89-L375 HydrophobicContact CZ-CD2 3.14Å; F89-L375 HydrophobicContact CZ-CG 4.15Å; L371-L375 HydrophobicContact CG-CD1 4.48Å; L371-L375 WeakPolarHBondContact O-CB 3.37Å; L371-L375 PolarHBondContact O-N 3.48Å; L371-L375 VanDerWaalsContact O-N 3.15Å; F372-L375 WeakPolarHBondContact O-CB 3.37Å; F372-L375 PolarHBondContact O-N 3.23Å; A373-L375 VanDerWaalsContact C-N 3.26Å; A373-L375 PolarHBondContact O-N 3.35Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 2.89Å; L375-K378 PolarHBondContact O-N 3.23Å; L375-L379 HydrophobicContact CD2-CD1 4.47Å; L375-L379 WeakPolarHBondContact O-CG 3.03Å; L375-L379 PolarHBondContact O-N 2.99Å |
| 376 | F | 57.2 | Low | 51.3 | Low | 82 Ų | 82 | 100.9 Ų | 100.9 | 36% | 0.36 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 174.4 | -154.4 | -105.6 | 0 | 0 | 0 | 111.1 | L64 V68 F372 A373 K378 L379 S380 | L64-F376 HydrophobicContact CD1-CD2 3.66Å; L64-F376 HydrophobicContact CD1-CE1 4Å; L64-F376 HydrophobicContact CD1-CE2 3.06Å; L64-F376 HydrophobicContact CD1-CG 4.36Å; L64-F376 HydrophobicContact CD1-CZ 3.25Å; L64-F376 HydrophobicContact CD2-CB 4.48Å; L64-F376 HydrophobicContact CD2-CD2 3.34Å; L64-F376 HydrophobicContact CD2-CE2 3.71Å; L64-F376 HydrophobicContact CD2-CG 3.94Å; L64-F376 HydrophobicContact CG-CD2 3.41Å; L64-F376 VanDerWaalsContact CG-CD2 3.41Å; L64-F376 HydrophobicContact CG-CE2 3.19Å; L64-F376 HydrophobicContact CG-CG 4.35Å; L64-F376 HydrophobicContact CG-CZ 3.96Å; V68-F376 HydrophobicContact CG2-CE2 3.94Å; F372-F376 PolarHBondContact O-N 3.37Å; A373-F376 PolarHBondContact O-N 2.87Å; F376-K378 VanDerWaalsContact C-N 3.25Å; F376-K378 PolarHBondContact O-N 2.72Å; F376-L379 PolarHBondContact O-N 3.39Å; F376-S380 WeakPolarHBondContact O-CB 3.39Å; F376-S380 PolarHBondContact O-N 3.16Å; F376-S380 PolarHBondContact O-OG 3.32Å; F376-S380 VanDerWaalsContact O-OG 3.07Å |
| 377 | A | 63.4 | Low | 51 | Low | 40 Ų | 40 | 103.5 Ų | 103.5 | 33% | 0.331 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -22.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A373 L375 S380 R381 | A373-A377 PolarHBondContact O-N 3.11Å; A373-A377 VanDerWaalsContact O-N 3.14Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 2.89Å; A377-S380 WeakPolarHBondContact CA-OG 3.46Å; A377-S380 PolarHBondContact O-OG 3.28Å; A377-R381 WeakPolarHBondContact O-CG 3.44Å; A377-R381 PolarHBondContact O-NE 3.08Å |
| 378 | K | 60.6 | Low | 50.6 | Low | 131 Ų | 131 | 103.7 Ų | 103.7 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -84.1 | -38.8 | 174 | -80 | 177.7 | -179.4 | 178.2 | 0 | 111.8 | S374 L375 F376 K382 | S374-K378 WeakPolarHBondContact O-CG 3.39Å; S374-K378 PolarHBondContact O-N 3.02Å; L375-K378 PolarHBondContact O-N 3.23Å; F376-K378 VanDerWaalsContact C-N 3.25Å; F376-K378 PolarHBondContact O-N 2.72Å; K378-K382 PolarHBondContact O-N 3.41Å |
| 379 | L | 54.1 | Low | 50 | Low | 14 Ų | 14 | 98.5 Ų | 98.5 | 7% | 0.073 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 178.4 | -73.6 | 165.9 | 0 | 0 | 0 | 111.4 | D85 L86 L375 F376 R381 K382 L383 | D85-L379 WeakPolarHBondContact OD2-CD2 3.47Å; L86-L379 HydrophobicContact CD2-CD1 4.48Å; L375-L379 HydrophobicContact CD2-CD1 4.47Å; L375-L379 WeakPolarHBondContact O-CG 3.03Å; L375-L379 PolarHBondContact O-N 2.99Å; F376-L379 PolarHBondContact O-N 3.39Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 2.89Å; L379-K382 PolarHBondContact O-N 3.33Å; L379-L383 PolarHBondContact O-N 3.22Å |
| 380 | S | 57.2 | Low | 49.2 | Very low | 57 Ų | 57 | 97 Ų | 97 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 175.4 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | F376 A377 K382 L383 S384 | F376-S380 WeakPolarHBondContact O-CB 3.39Å; F376-S380 PolarHBondContact O-N 3.16Å; F376-S380 PolarHBondContact O-OG 3.32Å; F376-S380 VanDerWaalsContact O-OG 3.07Å; A377-S380 WeakPolarHBondContact CA-OG 3.46Å; A377-S380 PolarHBondContact O-OG 3.28Å; S380-K382 VanDerWaalsContact C-N 3.33Å; S380-K382 PolarHBondContact O-N 3.3Å; S380-L383 PolarHBondContact O-N 2.99Å; S380-S384 PolarHBondContact O-N 3.21Å; S380-S384 VanDerWaalsContact O-N 3.09Å; S380-S384 PolarHBondContact O-OG 2.99Å |
| 381 | R | 57.1 | Low | 47.9 | Very low | 159 Ų | 159 | 98.5 Ų | 98.5 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -33.9 | 176.6 | -85 | -174.3 | -80.9 | 178.4 | -10.1 | 113.9 | A377 L379 S384 S385 | A377-R381 WeakPolarHBondContact O-CG 3.44Å; A377-R381 PolarHBondContact O-NE 3.08Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 2.89Å; R381-S384 WeakPolarHBondContact CA-OG 3.41Å; R381-S384 PolarHBondContact O-OG 3.11Å; R381-S385 PolarHBondContact O-N 3.44Å; R381-S385 PolarHBondContact O-OG 2.95Å |
| 382 | K | 54.5 | Low | 47 | Very low | 133 Ų | 133 | 103.1 Ų | 103.1 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -40.3 | 176.1 | -102 | -176.6 | 175 | -174.4 | 0 | 112.1 | K378 L379 S380 S385 | K378-K382 PolarHBondContact O-N 3.41Å; L379-K382 PolarHBondContact O-N 3.33Å; S380-K382 VanDerWaalsContact C-N 3.33Å; S380-K382 PolarHBondContact O-N 3.3Å; K382-S385 PolarHBondContact O-N 2.93Å; K382-S385 PolarHBondContact O-OG 3.39Å |
| 383 | L | 47.9 | Very low | 45.9 | Very low | 37 Ų | 37 | 106.2 Ų | 106.2 | 19% | 0.194 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -64.9 | -42.4 | 176.3 | -76.8 | 154.8 | 0 | 0 | 0 | 111.6 | V68 L75 L379 S380 S385 Q386 | V68-L383 HydrophobicContact CG1-CD1 4.28Å; L75-L383 HydrophobicContact CD1-CD2 4Å; L379-L383 PolarHBondContact O-N 3.22Å; S380-L383 PolarHBondContact O-N 2.99Å; L383-S385 VanDerWaalsContact C-N 3.26Å; L383-S385 PolarHBondContact O-N 3.48Å; L383-Q386 PolarHBondContact O-N 3.02Å |
| 384 | S | 44.8 | Very low | 44.6 | Very low | 74 Ų | 74 | 110.7 Ų | 110.7 | 52% | 0.517 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.8 | -25.9 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | S380 R381 | S380-S384 PolarHBondContact O-N 3.21Å; S380-S384 VanDerWaalsContact O-N 3.09Å; S380-S384 PolarHBondContact O-OG 2.99Å; R381-S384 WeakPolarHBondContact CA-OG 3.41Å; R381-S384 PolarHBondContact O-OG 3.11Å |
| 385 | S | 47.5 | Very low | 43.4 | Very low | 87 Ų | 87 | 114.9 Ų | 114.9 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.8 | -14.5 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | R381 K382 L383 | R381-S385 PolarHBondContact O-N 3.44Å; R381-S385 PolarHBondContact O-OG 2.95Å; K382-S385 PolarHBondContact O-N 2.93Å; K382-S385 PolarHBondContact O-OG 3.39Å; L383-S385 VanDerWaalsContact C-N 3.26Å; L383-S385 PolarHBondContact O-N 3.48Å |
| 386 | Q | 43.3 | Very low | 42.3 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -3.8 | 176.9 | -78.9 | -172.6 | -36.2 | 0 | 0 | 113.5 | L383 | L383-Q386 PolarHBondContact O-N 3.02Š|
| 387 | Q | 38.4 | Very low | 40.9 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | trans | -96 | 13.1 | -175.4 | -78.4 | -177.7 | -39.2 | 0 | 0 | 115.5 | S389 | Q387-S389 VanDerWaalsContact C-N 3.31Å; Q387-S389 PolarHBondContact O-N 3.07Å; Q387-S389 VanDerWaalsContact O-N 3.09Å | ||
| 388 | H | 31.4 | Very low | 39.2 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 87% | 0.87 | 67% | 0.673 | S | S | * | * | trans | -88.5 | 57.2 | -179.6 | -133.5 | -52.8 | 0 | 0 | 0 | 113.4 | ||||
| 389 | S | 28.4 | Very low | 37.8 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -169.7 | 82.7 | 154.7 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | Q387 | Q387-S389 VanDerWaalsContact C-N 3.31Å; Q387-S389 PolarHBondContact O-N 3.07Å; Q387-S389 VanDerWaalsContact O-N 3.09Å |
| 390 | M | 30.1 | Very low | 36.5 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 89% | 0.892 | 73% | 0.729 | S | S | * | * | trans | 169.7 | 116.2 | 149.4 | -96.5 | 171.7 | 71.6 | 0 | 0 | 107.7 | F392 | M390-F392 PolarHBondContact O-N 3.36Š| ||
| 391 | D | 27.1 | Very low | 35.2 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | -53.7 | 128.7 | 165.6 | -88.8 | -35.3 | 0 | 0 | 0 | 109.6 | ||||
| 392 | F | 29.7 | Very low | 33.9 | Very low | 209 Ų | 209 | 142.6 Ų | 142.6 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | -171.9 | 133 | 131.7 | -119.1 | -88.8 | 0 | 0 | 0 | 110.6 | M390 | M390-F392 PolarHBondContact O-N 3.36Š| ||
| 393 | D | 27 | Very low | 32.6 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -64.9 | 163.6 | -176.4 | -77 | -56.3 | 0 | 0 | 0 | 115.5 | ||||
| 394 | D | 27.5 | Very low | 31.7 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 84.7 | 142.5 | 165.2 | -80.3 | -34.2 | 0 | 0 | 0 | 120 | ||||
| 395 | V | 31.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 94.1 | 47.3 | -180 | -159.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 396 | V | 29.4 | Very low | 29.8 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -137.6 | 74.8 | 155.4 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 397 | R | 28 | Very low | 29.2 | Very low | 256 Ų | 256 | 150.3 Ų | 150.3 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | trans | -159.6 | 94.3 | 162 | -116.9 | -179.8 | -80 | -143.5 | 1.9 | 109.8 | ||||
| 398 | G | 28.9 | Very low | 28.6 | Very low | 72 Ų | 72 | 148.5 Ų | 148.5 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 169.5 | 95.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 399 | K | 29.8 | Very low | 28.5 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 82.9 | 75.4 | 147.9 | -54.6 | -179.3 | -179.7 | 179.9 | 0 | 118 | ||||
| 400 | L | 26.5 | Very low | 28.5 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | trans | -133 | 75.1 | 143.6 | -88.7 | 164.7 | 0 | 0 | 0 | 108.3 | ||||
| 401 | T | 30.6 | Very low | 28.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -142.3 | 106.7 | 168 | 53 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 402 | T | 30.6 | Very low | 28.4 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | 72 | 123.1 | 130.3 | -12.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 403 | S | 26 | Very low | 28.4 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -47.2 | 162 | 160.7 | 49.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 404 | V | 28.8 | Very low | 28.6 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | 113.1 | 106.2 | 146.5 | -176.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 405 | S | 26.8 | Very low | 28.6 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 68.4 | 152.4 | 141.5 | 101.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 406 | L | 27.2 | Very low | 28.6 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | cis | -175.1 | 155.2 | 9.8 | -115.3 | 158.7 | 0 | 0 | 0 | 105.8 | ||||
| 407 | F | 30 | Very low | 28.7 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 71.7 | 108.5 | 159 | -67.2 | -68.1 | 0 | 0 | 0 | 122.4 | ||||
| 408 | S | 26.5 | Very low | 29 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | 42 | 134.2 | 117.8 | -63.4 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 409 | T | 28.8 | Very low | 29.1 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 80.3 | 110.3 | 137.2 | 46.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 410 | E | 27.6 | Very low | 29.4 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | 61.7 | 120.1 | 128.7 | -63.4 | -172.7 | 167.1 | 0 | 0 | 121.2 | |||||
| 411 | G | 29.2 | Very low | 29.7 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | 108.4 | 112.4 | 126.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 412 | R | 26.5 | Very low | 30 | Very low | 238 Ų | 238 | 138.1 Ų | 138.1 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | 52.2 | 139.6 | 141.9 | -72.5 | -174.7 | -178.7 | -157.9 | 1.2 | 117.9 | ||||
| 413 | L | 29.7 | Very low | 30 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | cis | -167.5 | 162.4 | 11.8 | -99.6 | 154.5 | 0 | 0 | 0 | 105.3 | ||||
| 414 | P | 32.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -94.4 | 130.7 | -171.3 | 34.7 | -28.7 | 0 | 0 | 0 | 113.8 | ||||
| 415 | L | 27.4 | Very low | 31.1 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | -155.2 | 140.2 | 164.7 | -69.3 | 166.8 | 0 | 0 | 0 | 104.3 | ||||
| 416 | D | 30.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -165.6 | 169.5 | 3.4 | -115.4 | -32.5 | 0 | 0 | 0 | 106.9 | ||||
| 417 | K | 32.5 | Very low | 32.4 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | trans | -47.4 | 146.4 | 160.4 | -65.2 | 165.2 | 172.4 | 178.4 | 0 | 110.8 | ||||
| 418 | I | 32.4 | Very low | 32.8 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | 160 | 105.7 | 131.1 | -77.7 | 152.1 | 0 | 0 | 0 | 107.1 | ||||
| 419 | A | 32.1 | Very low | 33.3 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -91.2 | 169.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 420 | E | 36.5 | Very low | 34.1 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 73.4 | 133.4 | 170.8 | -67.8 | 166.7 | -179.4 | 0 | 0 | 112.6 | ||||
| 421 | E | 33.1 | Very low | 34.5 | Very low | 155 Ų | 155 | 139 Ų | 139 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | cis | -177.9 | 133.9 | 25.2 | -120.6 | 171.9 | -177.3 | 0 | 0 | 101.4 | ||||
| 422 | T | 36.1 | Very low | 34.8 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | 160.3 | 131.9 | 82.6 | 27.9 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 423 | S | 30.1 | Very low | 35.2 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -77.3 | 131.6 | 156.7 | 58.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 424 | S | 39.1 | Very low | 35.5 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | 172.2 | 148.5 | 136.2 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 425 | L | 40.3 | Very low | 35.8 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | 84.4 | 99.4 | 162.5 | -52.3 | 165.7 | 0 | 0 | 0 | 114.1 | ||||
| 426 | D | 39.5 | Very low | 36.3 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | 103.9 | 121.5 | 60.9 | -96 | -23.4 | 0 | 0 | 0 | 110.9 | |||||
| 427 | V | 40.6 | Very low | 36.7 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 82% | 0.824 | S | S | * | * | trans | 78.8 | 114.3 | 134.4 | -176.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 428 | S | 37.6 | Very low | 37.1 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | trans | 98.1 | 119.2 | 132.7 | 66.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 429 | N | 37.3 | Very low | 37.5 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | trans | 68.2 | 111.9 | 134.4 | -75.8 | 1.8 | 0 | 0 | 0 | 120.9 | ||||
| 430 | G | 47.3 | Very low | 38 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 100% | 1.619 | 84% | 0.837 | S | S | * | * | trans | -170 | 0 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 430 of 430 residues in 1866.4 ms
(Link to these results)