| 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 | 34.2 | Very low | 70 | Confident | 240 Ų | 240 | 116.5 Ų | 116.5 | 100% | 1.182 | 58% | 0.58 | S | S | * | * | 0 | 128.9 | 0 | -80.8 | 173.3 | 119.1 | 0 | 0 | 108.2 | |||||
| 2 | N | 40.7 | Very low | 71.7 | Confident | 152 Ų | 152 | 113.7 Ų | 113.7 | 81% | 0.813 | 57% | 0.569 | S | S | * | * | trans | -56 | 143.8 | -173 | -92.2 | -15.2 | 0 | 0 | 0 | 112.7 | D4 | N2-D4 PolarHBondContact O-N 3.4Š| ||
| 3 | D | 45.7 | Very low | 73.1 | Confident | 100 Ų | 100 | 107.6 Ų | 107.6 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | trans | -77.7 | 62.9 | -176 | -159.4 | 23.1 | 0 | 0 | 0 | 111.8 | K5 R195 | D3-K5 PolarHBondContact O-N 2.89Å; D3-R195 IonicContact OD1-CZ 2.64Å; D3-R195 IonicContact OD1-NH1 3.19Å; D3-R195 PolarHBondContact OD1-NH1 3.15Å; D3-R195 IonicContact OD1-NH2 2.73Å; D3-R195 PolarHBondContact OD1-NH2 3.27Å | ||
| 4 | D | 56.6 | Low | 74.7 | Confident | 150 Ų | 150 | 104.7 Ų | 104.7 | 80% | 0.802 | 54% | 0.542 | S | S | * | . | trans | -77.7 | 51.1 | 175.2 | -81.4 | -16.6 | 0 | 0 | 0 | 111.3 | N2 R6 | N2-D4 PolarHBondContact O-N 3.4Å; D4-R6 VanDerWaalsContact C-N 3.26Å; D4-R6 PolarHBondContact O-N 2.92Å | ||
| 5 | K | 64.5 | Low | 76.1 | Confident | 148 Ų | 148 | 99.9 Ų | 99.9 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | trans | -68.1 | 93.4 | 157.7 | -72.4 | -179.4 | -178.6 | 178 | 0 | 106.9 | D3 I7 | D3-K5 PolarHBondContact O-N 2.89Å; K5-I7 PolarHBondContact O-N 3.13Å; K5-I7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | R | 73.9 | Confident | 77.4 | Confident | 160 Ų | 160 | 93.8 Ų | 93.8 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | trans | -72.1 | 107.5 | 169 | -171.1 | 179.6 | -179.4 | -178.2 | -0.1 | 108.2 | D4 V8 P51 | D4-R6 VanDerWaalsContact C-N 3.26Å; D4-R6 PolarHBondContact O-N 2.92Å; R6-V8 HydrophobicContact CG-CG1 3.95Å; R6-V8 PolarHBondContact O-N 2.64Å; R6-P51 VanDerWaalsContact NH2-CG 3.27Å | ||
| 7 | I | 83.3 | Confident | 78.5 | Confident | 136 Ų | 136 | 89.4 Ų | 89.4 | 70% | 0.697 | 46% | 0.463 | S | S | * | . | trans | -70.5 | 126.8 | 168.3 | -52.9 | 179.3 | 0 | 0 | 0 | 107.2 | K5 M45 | K5-I7 PolarHBondContact O-N 3.13Å; K5-I7 VanDerWaalsContact O-N 3.15Å; I7-M45 HydrophobicContact CB-SD 4.34Å; I7-M45 HydrophobicContact CG2-SD 3.65Å | ||
| 8 | V | 90.7 | Very high | 79.5 | Confident | 46 Ų | 46 | 89.2 Ų | 89.2 | 28% | 0.279 | 46% | 0.463 | S | S | . | . | trans | -123.3 | 154.5 | -178.4 | -64.4 | 0 | 0 | 0 | 0 | 109.5 | R6 W10 | R6-V8 HydrophobicContact CG-CG1 3.95Å; R6-V8 PolarHBondContact O-N 2.64Å; V8-W10 HydrophobicContact CB-CD2 3.84Å; V8-W10 HydrophobicContact CB-CE3 4.16Å; V8-W10 HydrophobicContact CB-CG 4.45Å; V8-W10 HydrophobicContact CB-CH2 3.92Å; V8-W10 HydrophobicContact CB-CZ2 3.59Å; V8-W10 HydrophobicContact CB-CZ3 4.2Å; V8-W10 HydrophobicContact CG1-CH2 3.75Å; V8-W10 HydrophobicContact CG1-CZ2 3.42Å; V8-W10 VanDerWaalsContact CG1-CZ2 3.42Å; V8-W10 HydrophobicContact CG1-CZ3 4.47Å; V8-W10 HydrophobicContact CG2-CD2 4.04Å; V8-W10 HydrophobicContact CG2-CG 4.19Å; V8-W10 HydrophobicContact CG2-CZ2 4.1Å | ||
| 9 | P | 93.6 | Very high | 80.5 | Confident | 4 Ų | 4 | 84.6 Ų | 84.6 | 3% | 0.026 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -85.8 | -14.6 | -176.9 | 35.4 | -36.2 | 0 | 0 | 0 | 113.6 | W41 R44 M45 I50 | P9-W41 HydrophobicContact CB-CB 3.63Å; P9-W41 HydrophobicContact CB-CG 3.99Å; P9-W41 HydrophobicContact CG-CB 3.86Å; P9-W41 HydrophobicContact CG-CD2 4.26Å; P9-W41 HydrophobicContact CG-CE3 4.33Å; P9-W41 HydrophobicContact CG-CG 4.07Å; P9-R44 HydrophobicContact CB-CB 4.42Å; P9-R44 WeakPolarHBondContact O-CD 3.49Å; P9-R44 PolarHBondContact O-NH1 2.75Å; P9-M45 HydrophobicContact CB-CE 4.04Å; P9-M45 HydrophobicContact CB-CG 4.18Å; P9-M45 HydrophobicContact CB-SD 4.39Å; P9-M45 HydrophobicContact CG-CE 4.1Å; P9-I50 HydrophobicContact CG-CG1 4.34Å |
| 10 | W | 94.4 | Very high | 81.4 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 13% | 0.133 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -81.6 | 150.3 | 172.2 | 53.4 | 87.8 | 0 | 0 | 0 | 110.9 | V8 E15 F16 W41 I54 | V8-W10 HydrophobicContact CB-CD2 3.84Å; V8-W10 HydrophobicContact CB-CE3 4.16Å; V8-W10 HydrophobicContact CB-CG 4.45Å; V8-W10 HydrophobicContact CB-CH2 3.92Å; V8-W10 HydrophobicContact CB-CZ2 3.59Å; V8-W10 HydrophobicContact CB-CZ3 4.2Å; V8-W10 HydrophobicContact CG1-CH2 3.75Å; V8-W10 HydrophobicContact CG1-CZ2 3.42Å; V8-W10 VanDerWaalsContact CG1-CZ2 3.42Å; V8-W10 HydrophobicContact CG1-CZ3 4.47Å; V8-W10 HydrophobicContact CG2-CD2 4.04Å; V8-W10 HydrophobicContact CG2-CG 4.19Å; V8-W10 HydrophobicContact CG2-CZ2 4.1Å; W10-E15 VanDerWaalsContact CA-OE2 3.29Å; W10-E15 WeakPolarHBondContact CA-OE2 3.29Å; W10-E15 HydrophobicContact CB-CB 4.37Å; W10-F16 HydrophobicContact CD2-CB 4.21Å; W10-F16 AromaticContact CD2-CD2 3.74Å; W10-F16 HydrophobicContact CD2-CD2 3.74Å; W10-F16 HydrophobicContact CD2-CG 4.39Å; W10-F16 AromaticContact CE2-CD2 3.91Å; W10-F16 AromaticContact CE3-CD2 3.62Å; W10-F16 HydrophobicContact CE3-CD2 3.62Å; W10-F16 HydrophobicContact CE3-CE2 4.22Å; W10-F16 HydrophobicContact CG-CB 4.09Å; W10-F16 HydrophobicContact CG-CD2 4.45Å; W10-F16 AromaticContact CH2-CD2 3.93Å; W10-F16 HydrophobicContact CH2-CD2 3.93Å; W10-F16 AromaticContact CH2-CE2 3.95Å; W10-F16 HydrophobicContact CH2-CE2 3.95Å; W10-F16 HydrophobicContact CZ2-CD2 4.01Å; W10-F16 HydrophobicContact CZ2-CE2 4.36Å; W10-F16 AromaticContact CZ3-CD2 3.73Å; W10-F16 HydrophobicContact CZ3-CD2 3.73Å; W10-F16 AromaticContact CZ3-CE2 3.86Å; W10-F16 HydrophobicContact CZ3-CE2 3.86Å; W10-W41 HydrophobicContact CB-CH2 4.45Å; W10-W41 HydrophobicContact CB-CZ2 3.78Å; W10-W41 HydrophobicContact CE3-CE3 4.36Å; W10-W41 HydrophobicContact CE3-CH2 4.31Å; W10-W41 HydrophobicContact CE3-CZ3 4.14Å; W10-I54 HydrophobicContact CZ3-CD1 3.8Å |
| 11 | V | 92 | Very high | 82.1 | Confident | 110 Ų | 110 | 81.3 Ų | 81.3 | 67% | 0.667 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -72.5 | -44.6 | -178.1 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | E15 | V11-E15 WeakPolarHBondContact CB-OE2 3.06Å; V11-E15 WeakPolarHBondContact CG2-OE2 3.45Å; V11-E15 PolarHBondContact N-OE2 3.13Å |
| 12 | D | 90.8 | Very high | 85.2 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -149.3 | 176 | -179.5 | 61.4 | 35.9 | 0 | 0 | 0 | 111.6 | S14 E15 | D12-S14 PolarHBondContact O-N 3.35Å; D12-S14 WeakPolarHBondContact OD1-CA 3.46Å; D12-S14 VanDerWaalsContact OD1-CB 3.25Å; D12-S14 WeakPolarHBondContact OD1-CB 3.43Å; D12-S14 PolarHBondContact OD1-N 3.12Å; D12-E15 PolarHBondContact O-N 2.87Å; D12-E15 PolarHBondContact OD1-N 3.4Å |
| 13 | A | 90.3 | Very high | 87.9 | Confident | 35 Ų | 35 | 64 Ų | 64 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -27.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F16 S17 I156 | A13-F16 PolarHBondContact O-N 3.04Å; A13-S17 PolarHBondContact O-N 3.3Å; A13-S17 PolarHBondContact O-OG 3.49Å; A13-I156 HydrophobicContact CB-CD1 3.68Å |
| 14 | S | 94.5 | Very high | 90.2 | Very high | 67 Ų | 67 | 61.8 Ų | 61.8 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 179.1 | -166.5 | 0 | 0 | 0 | 0 | 111 | D12 F16 S17 D18 | D12-S14 PolarHBondContact O-N 3.35Å; D12-S14 WeakPolarHBondContact OD1-CA 3.46Å; D12-S14 VanDerWaalsContact OD1-CB 3.25Å; D12-S14 WeakPolarHBondContact OD1-CB 3.43Å; D12-S14 PolarHBondContact OD1-N 3.12Å; S14-F16 PolarHBondContact O-N 3.44Å; S14-S17 PolarHBondContact O-N 2.87Å; S14-S17 VanDerWaalsContact O-N 3.11Å; S14-D18 WeakPolarHBondContact O-CB 3.26Å; S14-D18 VanDerWaalsContact O-CG 3.25Å; S14-D18 PolarHBondContact O-N 3.06Å |
| 15 | E | 96.8 | Very high | 92 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -38.7 | 177.5 | -168.9 | -171.9 | -176.6 | 0 | 0 | 111 | W10 V11 D12 V19 T37 W41 R44 | W10-E15 VanDerWaalsContact CA-OE2 3.29Å; W10-E15 WeakPolarHBondContact CA-OE2 3.29Å; W10-E15 HydrophobicContact CB-CB 4.37Å; V11-E15 WeakPolarHBondContact CB-OE2 3.06Å; V11-E15 WeakPolarHBondContact CG2-OE2 3.45Å; V11-E15 PolarHBondContact N-OE2 3.13Å; D12-E15 PolarHBondContact O-N 2.87Å; D12-E15 PolarHBondContact OD1-N 3.4Å; E15-V19 WeakPolarHBondContact O-CG2 3.33Å; E15-V19 PolarHBondContact O-N 3.33Å; E15-T37 HydrophobicContact CG-CG2 4.02Å; E15-T37 WeakPolarHBondContact OE1-CG2 3.26Å; E15-W41 VanDerWaalsContact CD-NE1 3.33Å; E15-W41 HydrophobicContact CG-CZ2 4.11Å; E15-W41 PolarHBondContact OE1-NE1 3.29Å; E15-R44 IonicContact OE1-CZ 3.34Å; E15-R44 IonicContact OE1-NH1 2.98Å; E15-R44 PolarHBondContact OE1-NH1 3.29Å; E15-R44 IonicContact OE1-NH2 2.97Å; E15-R44 IonicContact OE2-NH1 2.73Å; E15-R44 PolarHBondContact OE2-NH1 2.97Å; E15-R44 VanDerWaalsContact OE2-NH1 3.07Å |
| 16 | F | 95.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 174.8 | -174.3 | -87.3 | 0 | 0 | 0 | 112 | W10 A13 S14 D18 V19 A20 W41 I54 W145 N148 V149 | W10-F16 HydrophobicContact CD2-CB 4.21Å; W10-F16 AromaticContact CD2-CD2 3.74Å; W10-F16 HydrophobicContact CD2-CD2 3.74Å; W10-F16 HydrophobicContact CD2-CG 4.39Å; W10-F16 AromaticContact CE2-CD2 3.91Å; W10-F16 AromaticContact CE3-CD2 3.62Å; W10-F16 HydrophobicContact CE3-CD2 3.62Å; W10-F16 HydrophobicContact CE3-CE2 4.22Å; W10-F16 HydrophobicContact CG-CB 4.09Å; W10-F16 HydrophobicContact CG-CD2 4.45Å; W10-F16 AromaticContact CH2-CD2 3.93Å; W10-F16 HydrophobicContact CH2-CD2 3.93Å; W10-F16 AromaticContact CH2-CE2 3.95Å; W10-F16 HydrophobicContact CH2-CE2 3.95Å; W10-F16 HydrophobicContact CZ2-CD2 4.01Å; W10-F16 HydrophobicContact CZ2-CE2 4.36Å; W10-F16 AromaticContact CZ3-CD2 3.73Å; W10-F16 HydrophobicContact CZ3-CD2 3.73Å; W10-F16 AromaticContact CZ3-CE2 3.86Å; W10-F16 HydrophobicContact CZ3-CE2 3.86Å; A13-F16 PolarHBondContact O-N 3.04Å; S14-F16 PolarHBondContact O-N 3.44Å; F16-D18 VanDerWaalsContact C-N 3.33Å; F16-D18 PolarHBondContact O-N 3.25Å; F16-V19 PolarHBondContact O-N 3.07Å; F16-A20 WeakPolarHBondContact O-CB 3.32Å; F16-A20 PolarHBondContact O-N 3.11Å; F16-W41 HydrophobicContact CD2-CH2 4.03Å; F16-W41 HydrophobicContact CD2-CZ3 4.38Å; F16-I54 HydrophobicContact CE2-CD1 4.23Å; F16-W145 HydrophobicContact CD2-CZ3 4.02Å; F16-W145 HydrophobicContact CE1-CE3 4.05Å; F16-W145 HydrophobicContact CE1-CZ3 4.41Å; F16-W145 AromaticContact CE2-CE3 3.86Å; F16-W145 HydrophobicContact CE2-CE3 3.86Å; F16-W145 AromaticContact CE2-CZ3 3.46Å; F16-W145 HydrophobicContact CE2-CZ3 3.46Å; F16-W145 VanDerWaalsContact CE2-CZ3 3.46Å; F16-W145 AromaticContact CZ-CE3 3.55Å; F16-W145 HydrophobicContact CZ-CE3 3.55Å; F16-W145 AromaticContact CZ-CZ3 3.69Å; F16-W145 HydrophobicContact CZ-CZ3 3.69Å; F16-N148 HydrophobicContact CE1-CB 3.69Å; F16-N148 HydrophobicContact CZ-CB 3.62Å; F16-V149 HydrophobicContact CD1-CG2 3.97Å; F16-V149 HydrophobicContact CE1-CG2 3.93Å |
| 17 | S | 96.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | A13 S14 A20 N21 | A13-S17 PolarHBondContact O-N 3.3Å; A13-S17 PolarHBondContact O-OG 3.49Å; S14-S17 PolarHBondContact O-N 2.87Å; S14-S17 VanDerWaalsContact O-N 3.11Å; S17-A20 WeakPolarHBondContact O-CB 3.38Å; S17-A20 PolarHBondContact O-N 3.44Å; S17-N21 WeakPolarHBondContact O-CB 3.42Å; S17-N21 PolarHBondContact O-N 3.46Å; S17-N21 PolarHBondContact O-ND2 3.24Å; S17-N21 VanDerWaalsContact O-ND2 3.15Å |
| 18 | D | 97.6 | Very high | 95 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 176.5 | -71.1 | -26 | 0 | 0 | 0 | 111.6 | S14 F16 N21 N22 | S14-D18 WeakPolarHBondContact O-CB 3.26Å; S14-D18 VanDerWaalsContact O-CG 3.25Å; S14-D18 PolarHBondContact O-N 3.06Å; F16-D18 VanDerWaalsContact C-N 3.33Å; F16-D18 PolarHBondContact O-N 3.25Å; D18-N21 PolarHBondContact O-N 3.41Å; D18-N22 VanDerWaalsContact O-CB 3.31Å; D18-N22 WeakPolarHBondContact O-CB 3.48Å; D18-N22 PolarHBondContact O-N 3.26Å; D18-N22 PolarHBondContact O-ND2 2.75Å |
| 19 | V | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.5 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | E15 F16 N21 N22 I23 A34 T37 I38 W41 W145 | E15-V19 WeakPolarHBondContact O-CG2 3.33Å; E15-V19 PolarHBondContact O-N 3.33Å; F16-V19 PolarHBondContact O-N 3.07Å; V19-N21 PolarHBondContact O-N 3.22Å; V19-N22 PolarHBondContact O-N 2.87Å; V19-I23 HydrophobicContact CG1-CG1 4.37Å; V19-I23 WeakPolarHBondContact O-CG1 3.31Å; V19-I23 PolarHBondContact O-N 2.78Å; V19-A34 HydrophobicContact CG1-CB 4.16Å; V19-T37 HydrophobicContact CG2-CG2 3.45Å; V19-T37 VanDerWaalsContact CG2-CG2 3.45Å; V19-I38 HydrophobicContact CG1-CD1 3.92Å; V19-I38 HydrophobicContact CG1-CG1 3.9Å; V19-W41 HydrophobicContact CB-CH2 3.81Å; V19-W41 HydrophobicContact CB-CZ2 4.25Å; V19-W41 HydrophobicContact CG1-CH2 3.98Å; V19-W41 HydrophobicContact CG1-CZ3 4.36Å; V19-W41 HydrophobicContact CG2-CH2 3.7Å; V19-W41 HydrophobicContact CG2-CZ2 3.65Å; V19-W145 HydrophobicContact CB-CZ3 4.49Å; V19-W145 HydrophobicContact CG1-CE3 4.47Å; V19-W145 HydrophobicContact CG1-CH2 3.71Å; V19-W145 HydrophobicContact CG1-CZ2 4.29Å; V19-W145 HydrophobicContact CG1-CZ3 3.83Å |
| 20 | A | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -49.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F16 S17 N22 I23 C24 W145 V149 | F16-A20 WeakPolarHBondContact O-CB 3.32Å; F16-A20 PolarHBondContact O-N 3.11Å; S17-A20 WeakPolarHBondContact O-CB 3.38Å; S17-A20 PolarHBondContact O-N 3.44Å; A20-N22 VanDerWaalsContact C-N 3.32Å; A20-N22 PolarHBondContact O-N 3.35Å; A20-I23 PolarHBondContact O-N 3.13Å; A20-C24 WeakPolarHBondContact O-CB 3.31Å; A20-C24 PolarHBondContact O-N 3.46Å; A20-C24 PolarHBondContact O-SG 3.29Å; A20-W145 HydrophobicContact CB-CB 3.83Å; A20-W145 HydrophobicContact CB-CE3 4.09Å; A20-W145 HydrophobicContact CB-CG 4.48Å; A20-V149 HydrophobicContact CB-CG2 3.42Å; A20-V149 VanDerWaalsContact CB-CG2 3.42Å |
| 21 | N | 97.5 | Very high | 95.7 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.9 | -72.4 | -28.3 | 0 | 0 | 0 | 112 | S17 D18 V19 C24 S25 | S17-N21 WeakPolarHBondContact O-CB 3.42Å; S17-N21 PolarHBondContact O-N 3.46Å; S17-N21 PolarHBondContact O-ND2 3.24Å; S17-N21 VanDerWaalsContact O-ND2 3.15Å; D18-N21 PolarHBondContact O-N 3.41Å; V19-N21 PolarHBondContact O-N 3.22Å; N21-C24 PolarHBondContact O-N 2.97Å; N21-S25 WeakPolarHBondContact O-CB 3.2Å; N21-S25 PolarHBondContact O-N 3.32Å |
| 22 | N | 98.1 | Very high | 96 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 16% | 0.16 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.8 | -77.9 | -25.4 | 0 | 0 | 0 | 112.3 | D18 V19 A20 S25 K30 A34 | D18-N22 VanDerWaalsContact O-CB 3.31Å; D18-N22 WeakPolarHBondContact O-CB 3.48Å; D18-N22 PolarHBondContact O-N 3.26Å; D18-N22 PolarHBondContact O-ND2 2.75Å; V19-N22 PolarHBondContact O-N 2.87Å; A20-N22 VanDerWaalsContact C-N 3.32Å; A20-N22 PolarHBondContact O-N 3.35Å; N22-S25 PolarHBondContact O-OG 3.46Å; N22-K30 HydrophobicContact CB-CB 3.99Å; N22-K30 WeakPolarHBondContact CB-O 3.42Å; N22-K30 WeakPolarHBondContact OD1-CG 3.24Å; N22-A34 HydrophobicContact CB-CB 3.9Å |
| 23 | I | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 174.1 | -63.8 | -59.4 | 0 | 0 | 0 | 111.2 | V19 A20 S25 C26 L31 A34 T57 L61 L138 | V19-I23 HydrophobicContact CG1-CG1 4.37Å; V19-I23 WeakPolarHBondContact O-CG1 3.31Å; V19-I23 PolarHBondContact O-N 2.78Å; A20-I23 PolarHBondContact O-N 3.13Å; I23-S25 PolarHBondContact O-N 3.46Å; I23-C26 PolarHBondContact O-N 2.93Å; I23-C26 VanDerWaalsContact O-N 3.16Å; I23-L31 HydrophobicContact CD1-CD2 4.06Å; I23-A34 HydrophobicContact CD1-CB 3.5Å; I23-A34 HydrophobicContact CG1-CB 3.95Å; I23-T57 HydrophobicContact CD1-CG2 3.54Å; I23-T57 HydrophobicContact CG1-CG2 4.09Å; I23-L61 HydrophobicContact CD1-CD1 3.62Å; I23-L138 HydrophobicContact CG2-CD1 3.9Å; I23-L138 HydrophobicContact CG2-CG 4.4Å |
| 24 | C | 95.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 48 Ų | 48 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -25.3 | -177.8 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | A20 N21 C26 | A20-C24 WeakPolarHBondContact O-CB 3.31Å; A20-C24 PolarHBondContact O-N 3.46Å; A20-C24 PolarHBondContact O-SG 3.29Å; N21-C24 PolarHBondContact O-N 2.97Å; C24-C26 VanDerWaalsContact C-N 3.26Å; C24-C26 PolarHBondContact O-N 3.01Å |
| 25 | S | 94.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25.5 | 176.9 | 75.5 | 0 | 0 | 0 | 0 | 113.9 | N21 N22 I23 E27 K30 | N21-S25 WeakPolarHBondContact O-CB 3.2Å; N21-S25 PolarHBondContact O-N 3.32Å; N22-S25 PolarHBondContact O-OG 3.46Å; I23-S25 PolarHBondContact O-N 3.46Å; S25-E27 PolarHBondContact O-N 3.42Å; S25-E27 PolarHBondContact OG-N 3.21Å; S25-K30 WeakPolarHBondContact OG-CB 3.34Å; S25-K30 WeakPolarHBondContact OG-CD 3.43Å |
| 26 | C | 92.1 | Very high | 97 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | trans | 54.3 | 13.9 | -170.7 | -62.1 | 0 | 0 | 0 | 0 | 114.8 | I23 C24 W135 | I23-C26 PolarHBondContact O-N 2.93Å; I23-C26 VanDerWaalsContact O-N 3.16Å; C24-C26 VanDerWaalsContact C-N 3.26Å; C24-C26 PolarHBondContact O-N 3.01Å; C26-W135 HydrophobicContact CB-CZ3 4.05Å | ||
| 27 | E | 95.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | trans | -83 | 126.3 | 178.8 | -68.4 | 168 | -136 | 0 | 0 | 110.5 | S25 Y29 K30 L31 | S25-E27 PolarHBondContact O-N 3.42Å; S25-E27 PolarHBondContact OG-N 3.21Å; E27-Y29 VanDerWaalsContact C-N 3.3Å; E27-Y29 HydrophobicContact CB-CD1 4.22Å; E27-Y29 HydrophobicContact CB-CE1 3.92Å; E27-Y29 HydrophobicContact CG-CE1 4.45Å; E27-Y29 PolarHBondContact O-N 2.83Å; E27-Y29 VanDerWaalsContact O-N 3.08Å; E27-Y29 WeakPolarHBondContact OE2-CE1 3.22Å; E27-Y29 PolarHBondContact OE2-OH 3.29Å; E27-K30 HydrophobicContact CB-CB 4.23Å; E27-K30 HydrophobicContact CB-CD 4.16Å; E27-K30 HydrophobicContact CB-CG 4.29Å; E27-K30 VanDerWaalsContact CD-NZ 3.25Å; E27-K30 WeakPolarHBondContact O-CA 3.31Å; E27-K30 WeakPolarHBondContact O-CB 3.46Å; E27-K30 PolarHBondContact O-N 3.44Å; E27-K30 IonicContact OE1-NZ 2.84Å; E27-K30 PolarHBondContact OE1-NZ 3.21Å; E27-K30 WeakPolarHBondContact OE2-CE 3.42Å; E27-K30 IonicContact OE2-NZ 2.71Å; E27-K30 PolarHBondContact OE2-NZ 3.05Å; E27-K30 VanDerWaalsContact OE2-NZ 3.08Å; E27-L31 WeakPolarHBondContact O-CG 3.29Å; E27-L31 PolarHBondContact O-N 3.05Å | ||
| 28 | T | 96 | Very high | 97.2 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -50.3 | -41.3 | -173 | -58.6 | 0 | 0 | 0 | 0 | 114.8 | R32 Y64 F65 | T28-R32 PolarHBondContact O-N 3.36Å; T28-R32 VanDerWaalsContact O-N 3.13Å; T28-Y64 HydrophobicContact CG2-CE1 4.39Å; T28-F65 HydrophobicContact CG2-CE1 4.22Å |
| 29 | Y | 97.6 | Very high | 97.2 | Very high | 140 Ų | 140 | 50.5 Ų | 50.5 | 55% | 0.549 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.6 | -35.8 | 179.1 | 76.3 | -85.7 | 0 | 0 | 0 | 112.4 | E27 R32 L33 | E27-Y29 VanDerWaalsContact C-N 3.3Å; E27-Y29 HydrophobicContact CB-CD1 4.22Å; E27-Y29 HydrophobicContact CB-CE1 3.92Å; E27-Y29 HydrophobicContact CG-CE1 4.45Å; E27-Y29 PolarHBondContact O-N 2.83Å; E27-Y29 VanDerWaalsContact O-N 3.08Å; E27-Y29 WeakPolarHBondContact OE2-CE1 3.22Å; E27-Y29 PolarHBondContact OE2-OH 3.29Å; Y29-R32 WeakPolarHBondContact O-CB 3.38Å; Y29-R32 PolarHBondContact O-N 3.23Å; Y29-L33 PolarHBondContact O-N 3.21Å |
| 30 | K | 98.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 173.6 | -72.9 | 180 | 173.9 | 149.1 | 0 | 111.4 | N22 S25 E27 R32 L33 A34 | N22-K30 HydrophobicContact CB-CB 3.99Å; N22-K30 WeakPolarHBondContact CB-O 3.42Å; N22-K30 WeakPolarHBondContact OD1-CG 3.24Å; S25-K30 WeakPolarHBondContact OG-CB 3.34Å; S25-K30 WeakPolarHBondContact OG-CD 3.43Å; E27-K30 HydrophobicContact CB-CB 4.23Å; E27-K30 HydrophobicContact CB-CD 4.16Å; E27-K30 HydrophobicContact CB-CG 4.29Å; E27-K30 VanDerWaalsContact CD-NZ 3.25Å; E27-K30 WeakPolarHBondContact O-CA 3.31Å; E27-K30 WeakPolarHBondContact O-CB 3.46Å; E27-K30 PolarHBondContact O-N 3.44Å; E27-K30 IonicContact OE1-NZ 2.84Å; E27-K30 PolarHBondContact OE1-NZ 3.21Å; E27-K30 WeakPolarHBondContact OE2-CE 3.42Å; E27-K30 IonicContact OE2-NZ 2.71Å; E27-K30 PolarHBondContact OE2-NZ 3.05Å; E27-K30 VanDerWaalsContact OE2-NZ 3.08Å; K30-R32 PolarHBondContact O-N 3.46Å; K30-L33 WeakPolarHBondContact O-CB 3.27Å; K30-L33 PolarHBondContact O-N 3.27Å; K30-L33 VanDerWaalsContact O-N 3.11Å; K30-A34 PolarHBondContact O-N 3.3Å |
| 31 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -35.2 | 172.9 | -66.2 | -175.8 | 0 | 0 | 0 | 111.9 | I23 E27 A34 W35 L61 F65 W135 L138 | I23-L31 HydrophobicContact CD1-CD2 4.06Å; E27-L31 WeakPolarHBondContact O-CG 3.29Å; E27-L31 PolarHBondContact O-N 3.05Å; L31-A34 PolarHBondContact O-N 3.43Å; L31-W35 WeakPolarHBondContact O-CB 3.29Å; L31-W35 PolarHBondContact O-N 3.11Å; L31-L61 HydrophobicContact CB-CD2 4Å; L31-L61 HydrophobicContact CD1-CD2 4.3Å; L31-L61 HydrophobicContact CD2-CD2 4.23Å; L31-L61 HydrophobicContact CG-CD2 4.4Å; L31-F65 HydrophobicContact CB-CZ 4.02Å; L31-W135 HydrophobicContact CD1-CH2 4.1Å; L31-W135 HydrophobicContact CD1-CZ3 4.08Å; L31-L138 HydrophobicContact CD1-CD2 3.87Å; L31-L138 HydrophobicContact CD2-CD2 3.93Å |
| 32 | R | 98.3 | Very high | 97.1 | Very high | 108 Ų | 108 | 51.3 Ų | 51.3 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 174.7 | -176.6 | 173.7 | -67.8 | -91.6 | -3.1 | 111.9 | T28 Y29 K30 W35 E36 F65 | T28-R32 PolarHBondContact O-N 3.36Å; T28-R32 VanDerWaalsContact O-N 3.13Å; Y29-R32 WeakPolarHBondContact O-CB 3.38Å; Y29-R32 PolarHBondContact O-N 3.23Å; K30-R32 PolarHBondContact O-N 3.46Å; R32-W35 WeakPolarHBondContact O-CB 3.36Å; R32-W35 PolarHBondContact O-N 3.49Å; R32-E36 WeakPolarHBondContact O-CG 3.36Å; R32-E36 PolarHBondContact O-N 3.37Å; R32-F65 HydrophobicContact CB-CE1 4.21Å; R32-F65 HydrophobicContact CB-CE2 4.23Å; R32-F65 HydrophobicContact CB-CZ 3.73Å; R32-F65 VanDerWaalsContact NH2-CD1 3.34Å |
| 33 | L | 98.4 | Very high | 97 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 174.6 | -64.5 | 174.3 | 0 | 0 | 0 | 111.4 | Y29 K30 W35 E36 T37 | Y29-L33 PolarHBondContact O-N 3.21Å; K30-L33 WeakPolarHBondContact O-CB 3.27Å; K30-L33 PolarHBondContact O-N 3.27Å; K30-L33 VanDerWaalsContact O-N 3.11Å; L33-W35 VanDerWaalsContact C-N 3.33Å; L33-W35 PolarHBondContact O-N 2.93Å; L33-E36 PolarHBondContact O-N 3.48Å; L33-T37 PolarHBondContact O-N 3.49Å; L33-T37 PolarHBondContact O-OG1 2.92Å; L33-T37 VanDerWaalsContact O-OG1 3.13Å |
| 34 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V19 N22 I23 K30 L31 T37 I38 | V19-A34 HydrophobicContact CG1-CB 4.16Å; N22-A34 HydrophobicContact CB-CB 3.9Å; I23-A34 HydrophobicContact CD1-CB 3.5Å; I23-A34 HydrophobicContact CG1-CB 3.95Å; K30-A34 PolarHBondContact O-N 3.3Å; L31-A34 PolarHBondContact O-N 3.43Å; A34-T37 PolarHBondContact O-N 3.26Å; A34-I38 VanDerWaalsContact O-CG1 3.23Å; A34-I38 WeakPolarHBondContact O-CG1 3.31Å; A34-I38 PolarHBondContact O-N 2.96Å |
| 35 | W | 98.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 59 Ų | 59 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.8 | 172.3 | 76.1 | 0 | 0 | 0 | 112.6 | L31 R32 L33 K39 Y58 L61 N62 F65 | L31-W35 WeakPolarHBondContact O-CB 3.29Å; L31-W35 PolarHBondContact O-N 3.11Å; R32-W35 WeakPolarHBondContact O-CB 3.36Å; R32-W35 PolarHBondContact O-N 3.49Å; L33-W35 VanDerWaalsContact C-N 3.33Å; L33-W35 PolarHBondContact O-N 2.93Å; W35-K39 HydrophobicContact CZ2-CD 4.47Å; W35-K39 WeakPolarHBondContact O-CB 3.46Å; W35-K39 PolarHBondContact O-N 2.86Å; W35-Y58 AromaticContact CD1-CD2 3.8Å; W35-Y58 AromaticContact CD1-CE2 3.73Å; W35-Y58 AromaticContact NE1-CE2 3.47Å; W35-L61 HydrophobicContact CB-CB 4.02Å; W35-L61 HydrophobicContact CB-CD1 3.93Å; W35-L61 HydrophobicContact CG-CB 4.17Å; W35-N62 PolarHBondContact NE1-OD1 3.38Å; W35-F65 HydrophobicContact CB-CD2 4.2Å; W35-F65 HydrophobicContact CB-CE2 3.83Å; W35-F65 HydrophobicContact CD2-CD2 4.06Å; W35-F65 HydrophobicContact CE3-CD2 4.39Å; W35-F65 AromaticContact CG-CD2 3.96Å; W35-F65 HydrophobicContact CG-CD2 3.96Å; W35-F65 HydrophobicContact CG-CE2 4.11Å |
| 36 | E | 98.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.1 | -72.2 | 173.8 | -178.4 | 0 | 0 | 111.7 | R32 L33 K39 I40 | R32-E36 WeakPolarHBondContact O-CG 3.36Å; R32-E36 PolarHBondContact O-N 3.37Å; L33-E36 PolarHBondContact O-N 3.48Å; E36-K39 WeakPolarHBondContact O-CB 3.45Å; E36-K39 PolarHBondContact O-N 3.3Å; E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.15Å; E36-I40 VanDerWaalsContact O-N 3.14Å |
| 37 | T | 98.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -46 | 178 | -58.4 | 0 | 0 | 0 | 0 | 112 | E15 V19 L33 A34 K39 I40 W41 | E15-T37 HydrophobicContact CG-CG2 4.02Å; E15-T37 WeakPolarHBondContact OE1-CG2 3.26Å; V19-T37 HydrophobicContact CG2-CG2 3.45Å; V19-T37 VanDerWaalsContact CG2-CG2 3.45Å; L33-T37 PolarHBondContact O-N 3.49Å; L33-T37 PolarHBondContact O-OG1 2.92Å; L33-T37 VanDerWaalsContact O-OG1 3.13Å; A34-T37 PolarHBondContact O-N 3.26Å; T37-K39 VanDerWaalsContact C-N 3.26Å; T37-K39 PolarHBondContact O-N 2.74Å; T37-I40 WeakPolarHBondContact O-CB 3.34Å; T37-I40 PolarHBondContact O-N 3.46Å; T37-I40 VanDerWaalsContact O-N 3.07Å; T37-W41 HydrophobicContact CG2-CZ2 3.85Å; T37-W41 VanDerWaalsContact O-CD1 3.27Å; T37-W41 PolarHBondContact O-N 3.48Å |
| 38 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 177.1 | -61.1 | 163.8 | 0 | 0 | 0 | 110.7 | V19 A34 I40 W41 L42 I54 T57 Y58 W145 | V19-I38 HydrophobicContact CG1-CD1 3.92Å; V19-I38 HydrophobicContact CG1-CG1 3.9Å; A34-I38 VanDerWaalsContact O-CG1 3.23Å; A34-I38 WeakPolarHBondContact O-CG1 3.31Å; A34-I38 PolarHBondContact O-N 2.96Å; I38-I40 VanDerWaalsContact C-N 3.28Å; I38-I40 PolarHBondContact O-N 3.3Å; I38-W41 HydrophobicContact CB-CE3 4.5Å; I38-W41 HydrophobicContact CG1-CE3 4.07Å; I38-W41 HydrophobicContact CG1-CZ3 4.16Å; I38-W41 HydrophobicContact CG2-CE3 4.5Å; I38-W41 WeakPolarHBondContact O-CA 3.35Å; I38-W41 VanDerWaalsContact O-CB 3.31Å; I38-W41 WeakPolarHBondContact O-CB 3.48Å; I38-W41 PolarHBondContact O-N 3.45Å; I38-W41 VanDerWaalsContact O-N 3.07Å; I38-L42 WeakPolarHBondContact O-CG 3.41Å; I38-L42 PolarHBondContact O-N 2.91Å; I38-I54 HydrophobicContact CG1-CG2 4.48Å; I38-I54 HydrophobicContact CG2-CG2 3.69Å; I38-T57 HydrophobicContact CD1-CG2 3.79Å; I38-Y58 HydrophobicContact CB-CD2 4.47Å; I38-Y58 HydrophobicContact CG2-CD2 4.23Å; I38-Y58 HydrophobicContact CG2-CG 4.3Å; I38-W145 HydrophobicContact CD1-CH2 4.19Å; I38-W145 HydrophobicContact CD1-CZ2 4.03Å; I38-W145 HydrophobicContact CG1-CH2 4.48Å |
| 39 | K | 97.6 | Very high | 95.9 | Very high | 101 Ų | 101 | 68 Ų | 68 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 173.2 | -169.1 | 177.8 | 180 | 176.4 | 0 | 111.9 | W35 E36 T37 W41 L42 C43 Y58 | W35-K39 HydrophobicContact CZ2-CD 4.47Å; W35-K39 WeakPolarHBondContact O-CB 3.46Å; W35-K39 PolarHBondContact O-N 2.86Å; E36-K39 WeakPolarHBondContact O-CB 3.45Å; E36-K39 PolarHBondContact O-N 3.3Å; T37-K39 VanDerWaalsContact C-N 3.26Å; T37-K39 PolarHBondContact O-N 2.74Å; K39-W41 VanDerWaalsContact C-N 3.33Å; K39-L42 PolarHBondContact O-N 3.36Å; K39-C43 PolarHBondContact O-N 2.8Å; K39-C43 PolarHBondContact O-SG 2.74Å; K39-Y58 HydrophobicContact CB-CE2 3.83Å; K39-Y58 HydrophobicContact CG-CE2 4.09Å |
| 40 | I | 97.7 | Very high | 95.6 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174 | -64.4 | 165.4 | 0 | 0 | 0 | 110.4 | E36 T37 I38 L42 C43 R44 | E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.15Å; E36-I40 VanDerWaalsContact O-N 3.14Å; T37-I40 WeakPolarHBondContact O-CB 3.34Å; T37-I40 PolarHBondContact O-N 3.46Å; T37-I40 VanDerWaalsContact O-N 3.07Å; I38-I40 VanDerWaalsContact C-N 3.28Å; I38-I40 PolarHBondContact O-N 3.3Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 3.37Å; I40-C43 WeakPolarHBondContact O-CA 3.49Å; I40-C43 WeakPolarHBondContact O-CB 3.43Å; I40-C43 PolarHBondContact O-N 3.31Å; I40-R44 HydrophobicContact CG2-CG 4.5Å; I40-R44 PolarHBondContact O-N 2.6Å; I40-R44 VanDerWaalsContact O-N 3.14Å |
| 41 | W | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 177.5 | -65.9 | -0.7 | 0 | 0 | 0 | 112.8 | P9 W10 E15 F16 V19 T37 I38 K39 C43 R44 M45 I54 W145 | P9-W41 HydrophobicContact CB-CB 3.63Å; P9-W41 HydrophobicContact CB-CG 3.99Å; P9-W41 HydrophobicContact CG-CB 3.86Å; P9-W41 HydrophobicContact CG-CD2 4.26Å; P9-W41 HydrophobicContact CG-CE3 4.33Å; P9-W41 HydrophobicContact CG-CG 4.07Å; W10-W41 HydrophobicContact CB-CH2 4.45Å; W10-W41 HydrophobicContact CB-CZ2 3.78Å; W10-W41 HydrophobicContact CE3-CE3 4.36Å; W10-W41 HydrophobicContact CE3-CH2 4.31Å; W10-W41 HydrophobicContact CE3-CZ3 4.14Å; E15-W41 VanDerWaalsContact CD-NE1 3.33Å; E15-W41 HydrophobicContact CG-CZ2 4.11Å; E15-W41 PolarHBondContact OE1-NE1 3.29Å; F16-W41 HydrophobicContact CD2-CH2 4.03Å; F16-W41 HydrophobicContact CD2-CZ3 4.38Å; V19-W41 HydrophobicContact CB-CH2 3.81Å; V19-W41 HydrophobicContact CB-CZ2 4.25Å; V19-W41 HydrophobicContact CG1-CH2 3.98Å; V19-W41 HydrophobicContact CG1-CZ3 4.36Å; V19-W41 HydrophobicContact CG2-CH2 3.7Å; V19-W41 HydrophobicContact CG2-CZ2 3.65Å; T37-W41 HydrophobicContact CG2-CZ2 3.85Å; T37-W41 VanDerWaalsContact O-CD1 3.27Å; T37-W41 PolarHBondContact O-N 3.48Å; I38-W41 HydrophobicContact CB-CE3 4.5Å; I38-W41 HydrophobicContact CG1-CE3 4.07Å; I38-W41 HydrophobicContact CG1-CZ3 4.16Å; I38-W41 HydrophobicContact CG2-CE3 4.5Å; I38-W41 WeakPolarHBondContact O-CA 3.35Å; I38-W41 VanDerWaalsContact O-CB 3.31Å; I38-W41 WeakPolarHBondContact O-CB 3.48Å; I38-W41 PolarHBondContact O-N 3.45Å; I38-W41 VanDerWaalsContact O-N 3.07Å; K39-W41 VanDerWaalsContact C-N 3.33Å; W41-C43 PolarHBondContact O-N 3.39Å; W41-R44 PolarHBondContact O-N 2.91Å; W41-R44 VanDerWaalsContact O-N 3.09Å; W41-M45 PolarHBondContact O-N 3.41Å; W41-I54 HydrophobicContact CE3-CG2 4.02Å; W41-I54 HydrophobicContact CZ3-CD1 4.19Å; W41-I54 HydrophobicContact CZ3-CG2 4.26Å; W41-W145 HydrophobicContact CH2-CH2 4.33Å; W41-W145 HydrophobicContact CH2-CZ3 4.18Å; W41-W145 AromaticContact CZ3-CH2 3.75Å; W41-W145 HydrophobicContact CZ3-CH2 3.75Å; W41-W145 AromaticContact CZ3-CZ3 3.97Å; W41-W145 HydrophobicContact CZ3-CZ3 3.97Å |
| 42 | L | 95.6 | Very high | 94.8 | Very high | 34 Ų | 34 | 64.3 Ų | 64.3 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -21.2 | 175.1 | -64.1 | 169.7 | 0 | 0 | 0 | 113.1 | I38 K39 I40 V47 I50 Y58 | I38-L42 WeakPolarHBondContact O-CG 3.41Å; I38-L42 PolarHBondContact O-N 2.91Å; K39-L42 PolarHBondContact O-N 3.36Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 3.37Å; L42-V47 HydrophobicContact CD2-CG1 4.48Å; L42-V47 HydrophobicContact CD2-CG2 4.07Å; L42-I50 HydrophobicContact CD2-CD1 3.73Å; L42-Y58 HydrophobicContact CD1-CD1 3.29Å; L42-Y58 HydrophobicContact CD1-CD2 3.78Å; L42-Y58 HydrophobicContact CD1-CE1 3.51Å; L42-Y58 HydrophobicContact CD1-CE2 4Å; L42-Y58 HydrophobicContact CD1-CG 3.42Å; L42-Y58 VanDerWaalsContact CD1-CG 3.42Å |
| 43 | C | 96.1 | Very high | 94.5 | Very high | 110 Ų | 110 | 59.6 Ų | 59.6 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -84.3 | -26.1 | 172.2 | -63.9 | 0 | 0 | 0 | 0 | 113 | K39 I40 W41 | K39-C43 PolarHBondContact O-N 2.8Å; K39-C43 PolarHBondContact O-SG 2.74Å; I40-C43 WeakPolarHBondContact O-CA 3.49Å; I40-C43 WeakPolarHBondContact O-CB 3.43Å; I40-C43 PolarHBondContact O-N 3.31Å; W41-C43 PolarHBondContact O-N 3.39Å |
| 44 | R | 94.6 | Very high | 94.3 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 42% | 0.415 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -78 | -28.4 | -178.1 | -70.4 | 172.3 | -179.2 | 162.9 | 4.6 | 112.5 | P9 E15 I40 W41 | P9-R44 HydrophobicContact CB-CB 4.42Å; P9-R44 WeakPolarHBondContact O-CD 3.49Å; P9-R44 PolarHBondContact O-NH1 2.75Å; E15-R44 IonicContact OE1-CZ 3.34Å; E15-R44 IonicContact OE1-NH1 2.98Å; E15-R44 PolarHBondContact OE1-NH1 3.29Å; E15-R44 IonicContact OE1-NH2 2.97Å; E15-R44 IonicContact OE2-NH1 2.73Å; E15-R44 PolarHBondContact OE2-NH1 2.97Å; E15-R44 VanDerWaalsContact OE2-NH1 3.07Å; I40-R44 HydrophobicContact CG2-CG 4.5Å; I40-R44 PolarHBondContact O-N 2.6Å; I40-R44 VanDerWaalsContact O-N 3.14Å; W41-R44 PolarHBondContact O-N 2.91Å; W41-R44 VanDerWaalsContact O-N 3.09Å |
| 45 | M | 91.7 | Very high | 94.2 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -144.5 | 154.4 | -178 | -60.4 | -162.5 | -34.8 | 0 | 0 | 113 | I7 P9 W41 V47 K49 I50 | I7-M45 HydrophobicContact CB-SD 4.34Å; I7-M45 HydrophobicContact CG2-SD 3.65Å; P9-M45 HydrophobicContact CB-CE 4.04Å; P9-M45 HydrophobicContact CB-CG 4.18Å; P9-M45 HydrophobicContact CB-SD 4.39Å; P9-M45 HydrophobicContact CG-CE 4.1Å; W41-M45 PolarHBondContact O-N 3.41Å; M45-V47 PolarHBondContact O-N 3.2Å; M45-K49 HydrophobicContact CE-CB 4.13Å; M45-I50 HydrophobicContact CB-CD1 4.41Å; M45-I50 HydrophobicContact CB-CG1 4.43Å; M45-I50 HydrophobicContact CE-CG1 3.84Å |
| 46 | P | 92.8 | Very high | 94.1 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | trans | -56.1 | 136.7 | 171 | -22.8 | 33.3 | 0 | 0 | 0 | 111.7 | S48 K49 | P46-S48 PolarHBondContact O-N 3.21Å; P46-S48 VanDerWaalsContact O-N 3.08Å; P46-K49 HydrophobicContact CB-CG 4.44Å; P46-K49 WeakPolarHBondContact O-CB 3.45Å; P46-K49 PolarHBondContact O-N 3.43Å | ||
| 47 | V | 91 | Very high | 94 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 47% | 0.473 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -53.8 | -33.3 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | L42 M45 K49 I50 V55 | L42-V47 HydrophobicContact CD2-CG1 4.48Å; L42-V47 HydrophobicContact CD2-CG2 4.07Å; M45-V47 PolarHBondContact O-N 3.2Å; V47-K49 PolarHBondContact O-N 3.5Å; V47-K49 VanDerWaalsContact O-N 3.16Å; V47-I50 PolarHBondContact O-N 2.97Å; V47-I50 VanDerWaalsContact O-N 3.08Å; V47-V55 HydrophobicContact CG1-CG1 4.02Å; V47-V55 HydrophobicContact CG1-CG2 3.77Å |
| 48 | S | 88.9 | Confident | 94 | Very high | 108 Ų | 108 | 51 Ų | 51 | 76% | 0.755 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -65.1 | -14.3 | 177 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | P46 | P46-S48 PolarHBondContact O-N 3.21Å; P46-S48 VanDerWaalsContact O-N 3.08Å |
| 49 | K | 89.5 | Confident | 94 | Very high | 153 Ų | 153 | 53.2 Ų | 53.2 | 67% | 0.665 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -100 | -7.3 | 175.9 | -61.6 | -61.9 | -173.3 | 178.3 | 0 | 112.8 | M45 P46 V47 | M45-K49 HydrophobicContact CE-CB 4.13Å; P46-K49 HydrophobicContact CB-CG 4.44Å; P46-K49 WeakPolarHBondContact O-CB 3.45Å; P46-K49 PolarHBondContact O-N 3.43Å; V47-K49 PolarHBondContact O-N 3.5Å; V47-K49 VanDerWaalsContact O-N 3.16Å |
| 50 | I | 91.2 | Very high | 94 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -93.8 | 136.3 | -179 | -65.2 | 171.7 | 0 | 0 | 0 | 108.8 | P9 L42 M45 V47 R52 I54 V55 | P9-I50 HydrophobicContact CG-CG1 4.34Å; L42-I50 HydrophobicContact CD2-CD1 3.73Å; M45-I50 HydrophobicContact CB-CD1 4.41Å; M45-I50 HydrophobicContact CB-CG1 4.43Å; M45-I50 HydrophobicContact CE-CG1 3.84Å; V47-I50 PolarHBondContact O-N 2.97Å; V47-I50 VanDerWaalsContact O-N 3.08Å; I50-R52 PolarHBondContact O-N 2.94Å; I50-I54 HydrophobicContact CG2-CB 3.83Å; I50-I54 HydrophobicContact CG2-CD1 4.48Å; I50-I54 HydrophobicContact CG2-CG2 3.81Å; I50-V55 HydrophobicContact CB-CG2 4.18Å; I50-V55 HydrophobicContact CG2-CG2 3.89Å |
| 51 | P | 89 | Confident | 94 | Very high | 26 Ų | 26 | 44.3 Ų | 44.3 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | trans | -51.8 | 135.9 | 175.7 | -29.2 | 36.2 | 0 | 0 | 0 | 112.7 | R6 S53 I54 V55 F144 | R6-P51 VanDerWaalsContact NH2-CG 3.27Å; P51-S53 PolarHBondContact O-N 3.46Å; P51-I54 HydrophobicContact CB-CD1 4.27Å; P51-I54 HydrophobicContact CB-CG1 4.18Å; P51-I54 HydrophobicContact CG-CD1 4.06Å; P51-I54 WeakPolarHBondContact O-CB 3.24Å; P51-I54 PolarHBondContact O-N 3.33Å; P51-V55 PolarHBondContact O-N 3.22Å; P51-F144 HydrophobicContact CB-CZ 4.39Å | ||
| 52 | R | 89.9 | Confident | 94.1 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -52.9 | -41.4 | -179.4 | -68.7 | 179.9 | -176.9 | -175.6 | 0.9 | 112.1 | I50 I54 V55 C56 L82 S85 D89 | I50-R52 PolarHBondContact O-N 2.94Å; R52-I54 VanDerWaalsContact C-N 3.28Å; R52-I54 PolarHBondContact O-N 2.84Å; R52-V55 PolarHBondContact O-N 3.46Å; R52-V55 VanDerWaalsContact O-N 3.11Å; R52-C56 WeakPolarHBondContact O-CB 3.48Å; R52-C56 PolarHBondContact O-N 2.87Å; R52-C56 PolarHBondContact O-SG 3.47Å; R52-L82 PolarHBondContact NH1-O 2.92Å; R52-S85 PolarHBondContact NH1-OG 2.93Å; R52-D89 IonicContact CZ-OD2 2.68Å; R52-D89 IonicContact NH1-OD2 3.04Å; R52-D89 PolarHBondContact NH1-OD2 3.38Å; R52-D89 IonicContact NH2-OD2 2.6Å; R52-D89 PolarHBondContact NH2-OD2 3.35Å |
| 53 | S | 91.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.4 | -40.2 | 177.8 | -49.6 | 0 | 0 | 0 | 0 | 112.9 | P51 T57 F144 | P51-S53 PolarHBondContact O-N 3.46Å; S53-T57 PolarHBondContact O-N 3.47Å; S53-T57 PolarHBondContact O-OG1 2.87Å; S53-F144 VanDerWaalsContact CB-CD1 3.49Å; S53-F144 WeakPolarHBondContact OG-CD2 3.22Å |
| 54 | I | 95 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -42.7 | 177.5 | -59.8 | -176.8 | 0 | 0 | 0 | 110.5 | W10 F16 I38 W41 I50 P51 R52 T57 Y58 F144 W145 | W10-I54 HydrophobicContact CZ3-CD1 3.8Å; F16-I54 HydrophobicContact CE2-CD1 4.23Å; I38-I54 HydrophobicContact CG1-CG2 4.48Å; I38-I54 HydrophobicContact CG2-CG2 3.69Å; W41-I54 HydrophobicContact CE3-CG2 4.02Å; W41-I54 HydrophobicContact CZ3-CD1 4.19Å; W41-I54 HydrophobicContact CZ3-CG2 4.26Å; I50-I54 HydrophobicContact CG2-CB 3.83Å; I50-I54 HydrophobicContact CG2-CD1 4.48Å; I50-I54 HydrophobicContact CG2-CG2 3.81Å; P51-I54 HydrophobicContact CB-CD1 4.27Å; P51-I54 HydrophobicContact CB-CG1 4.18Å; P51-I54 HydrophobicContact CG-CD1 4.06Å; P51-I54 WeakPolarHBondContact O-CB 3.24Å; P51-I54 PolarHBondContact O-N 3.33Å; R52-I54 VanDerWaalsContact C-N 3.28Å; R52-I54 PolarHBondContact O-N 2.84Å; I54-T57 PolarHBondContact O-N 3.3Å; I54-Y58 PolarHBondContact O-N 3.29Å; I54-F144 HydrophobicContact CG1-CE1 4.08Å; I54-F144 HydrophobicContact CG1-CZ 4.33Å; I54-W145 HydrophobicContact CB-CH2 4.28Å; I54-W145 HydrophobicContact CB-CZ2 4.35Å; I54-W145 HydrophobicContact CD1-CH2 4.07Å; I54-W145 HydrophobicContact CD1-CZ3 4.4Å; I54-W145 HydrophobicContact CG1-CH2 3.65Å; I54-W145 HydrophobicContact CG1-CZ2 3.94Å; I54-W145 HydrophobicContact CG1-CZ3 4.3Å; I54-W145 HydrophobicContact CG2-CH2 4.11Å; I54-W145 HydrophobicContact CG2-CZ2 4.41Å |
| 55 | V | 95.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | V47 I50 P51 R52 T57 Y58 E59 | V47-V55 HydrophobicContact CG1-CG1 4.02Å; V47-V55 HydrophobicContact CG1-CG2 3.77Å; I50-V55 HydrophobicContact CB-CG2 4.18Å; I50-V55 HydrophobicContact CG2-CG2 3.89Å; P51-V55 PolarHBondContact O-N 3.22Å; R52-V55 PolarHBondContact O-N 3.46Å; R52-V55 VanDerWaalsContact O-N 3.11Å; V55-T57 PolarHBondContact O-N 3.37Å; V55-Y58 WeakPolarHBondContact O-CB 3.38Å; V55-Y58 PolarHBondContact O-N 3.42Å; V55-E59 HydrophobicContact CG1-CG 4.47Å; V55-E59 WeakPolarHBondContact O-CG 3.29Å; V55-E59 PolarHBondContact O-N 3.41Å |
| 56 | C | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | R52 Y58 E59 L60 F79 L141 | R52-C56 WeakPolarHBondContact O-CB 3.48Å; R52-C56 PolarHBondContact O-N 2.87Å; R52-C56 PolarHBondContact O-SG 3.47Å; C56-Y58 VanDerWaalsContact C-N 3.32Å; C56-Y58 PolarHBondContact O-N 3.42Å; C56-E59 PolarHBondContact O-N 3.47Å; C56-L60 WeakPolarHBondContact O-CB 3.38Å; C56-L60 VanDerWaalsContact O-CG 3.26Å; C56-L60 WeakPolarHBondContact O-CG 3.34Å; C56-L60 PolarHBondContact O-N 3.02Å; C56-F79 HydrophobicContact CB-CD2 4.15Å; C56-L141 HydrophobicContact CB-CD1 4.3Å |
| 57 | T | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -47.1 | 174.8 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | I23 I38 S53 I54 V55 L60 L61 W145 | I23-T57 HydrophobicContact CD1-CG2 3.54Å; I23-T57 HydrophobicContact CG1-CG2 4.09Å; I38-T57 HydrophobicContact CD1-CG2 3.79Å; S53-T57 PolarHBondContact O-N 3.47Å; S53-T57 PolarHBondContact O-OG1 2.87Å; I54-T57 PolarHBondContact O-N 3.3Å; V55-T57 PolarHBondContact O-N 3.37Å; T57-L60 PolarHBondContact O-N 3.03Å; T57-L61 HydrophobicContact CG2-CD1 3.9Å; T57-L61 HydrophobicContact CG2-CG 4.39Å; T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 VanDerWaalsContact O-CG 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 3.26Å; T57-W145 HydrophobicContact CG2-CZ2 4.1Å; T57-W145 PolarHBondContact OG1-NE1 3.47Å; T57-W145 VanDerWaalsContact OG1-NE1 3.08Å |
| 58 | Y | 97.8 | Very high | 94.9 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 177.9 | 175 | -103.7 | 0 | 0 | 0 | 112.8 | W35 I38 K39 L42 I54 V55 C56 L60 L61 N62 | W35-Y58 AromaticContact CD1-CD2 3.8Å; W35-Y58 AromaticContact CD1-CE2 3.73Å; W35-Y58 AromaticContact NE1-CE2 3.47Å; I38-Y58 HydrophobicContact CB-CD2 4.47Å; I38-Y58 HydrophobicContact CG2-CD2 4.23Å; I38-Y58 HydrophobicContact CG2-CG 4.3Å; K39-Y58 HydrophobicContact CB-CE2 3.83Å; K39-Y58 HydrophobicContact CG-CE2 4.09Å; L42-Y58 HydrophobicContact CD1-CD1 3.29Å; L42-Y58 HydrophobicContact CD1-CD2 3.78Å; L42-Y58 HydrophobicContact CD1-CE1 3.51Å; L42-Y58 HydrophobicContact CD1-CE2 4Å; L42-Y58 HydrophobicContact CD1-CG 3.42Å; L42-Y58 VanDerWaalsContact CD1-CG 3.42Å; I54-Y58 PolarHBondContact O-N 3.29Å; V55-Y58 WeakPolarHBondContact O-CB 3.38Å; V55-Y58 PolarHBondContact O-N 3.42Å; C56-Y58 VanDerWaalsContact C-N 3.32Å; C56-Y58 PolarHBondContact O-N 3.42Å; Y58-L60 VanDerWaalsContact C-N 3.35Å; Y58-L60 PolarHBondContact O-N 2.99Å; Y58-L61 PolarHBondContact O-N 2.92Å; Y58-N62 HydrophobicContact CE1-CB 4.5Å; Y58-N62 VanDerWaalsContact O-CB 3.24Å; Y58-N62 WeakPolarHBondContact O-CB 3.37Å; Y58-N62 PolarHBondContact O-N 3.15Å |
| 59 | E | 97.5 | Very high | 95.2 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | -178.3 | -71.2 | -176.3 | 163.4 | 0 | 0 | 111.7 | V55 C56 N62 A63 A75 R78 | V55-E59 HydrophobicContact CG1-CG 4.47Å; V55-E59 WeakPolarHBondContact O-CG 3.29Å; V55-E59 PolarHBondContact O-N 3.41Å; C56-E59 PolarHBondContact O-N 3.47Å; E59-N62 PolarHBondContact O-N 2.95Å; E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 3.48Å; E59-A75 HydrophobicContact CB-CB 4.32Å; E59-R78 VanDerWaalsContact OE2-CB 3.32Å; E59-R78 WeakPolarHBondContact OE2-CB 3.37Å; E59-R78 WeakPolarHBondContact OE2-CD 3.45Å |
| 60 | L | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 175.3 | -72.6 | 169.4 | 0 | 0 | 0 | 111.6 | C56 T57 Y58 A63 Y64 A75 L76 F79 F134 L141 | C56-L60 WeakPolarHBondContact O-CB 3.38Å; C56-L60 VanDerWaalsContact O-CG 3.26Å; C56-L60 WeakPolarHBondContact O-CG 3.34Å; C56-L60 PolarHBondContact O-N 3.02Å; T57-L60 PolarHBondContact O-N 3.03Å; Y58-L60 VanDerWaalsContact C-N 3.35Å; Y58-L60 PolarHBondContact O-N 2.99Å; L60-A63 PolarHBondContact O-N 3.14Å; L60-Y64 WeakPolarHBondContact O-CB 3.36Å; L60-Y64 PolarHBondContact O-N 3.38Å; L60-A75 HydrophobicContact CD2-CB 4.22Å; L60-L76 HydrophobicContact CD2-CD2 3.75Å; L60-L76 HydrophobicContact CD2-CG 4.14Å; L60-F79 HydrophobicContact CD1-CD2 3.91Å; L60-F79 HydrophobicContact CD1-CE2 4.45Å; L60-F79 HydrophobicContact CD1-CG 4.41Å; L60-F134 HydrophobicContact CB-CD2 4.14Å; L60-F134 HydrophobicContact CB-CE2 4.03Å; L60-F134 HydrophobicContact CD2-CD2 4.34Å; L60-L141 HydrophobicContact CD1-CD1 3.64Å |
| 61 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 178.8 | -69.1 | 177.3 | 0 | 0 | 0 | 112.2 | I23 L31 W35 T57 Y58 Y64 F65 F134 L138 | I23-L61 HydrophobicContact CD1-CD1 3.62Å; L31-L61 HydrophobicContact CB-CD2 4Å; L31-L61 HydrophobicContact CD1-CD2 4.3Å; L31-L61 HydrophobicContact CD2-CD2 4.23Å; L31-L61 HydrophobicContact CG-CD2 4.4Å; W35-L61 HydrophobicContact CB-CB 4.02Å; W35-L61 HydrophobicContact CB-CD1 3.93Å; W35-L61 HydrophobicContact CG-CB 4.17Å; T57-L61 HydrophobicContact CG2-CD1 3.9Å; T57-L61 HydrophobicContact CG2-CG 4.39Å; T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 VanDerWaalsContact O-CG 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 3.26Å; Y58-L61 PolarHBondContact O-N 2.92Å; L61-Y64 WeakPolarHBondContact O-CB 3.34Å; L61-Y64 PolarHBondContact O-N 2.83Å; L61-F65 HydrophobicContact CB-CD2 4.44Å; L61-F65 HydrophobicContact CB-CE2 4.28Å; L61-F65 HydrophobicContact CD2-CE2 4.43Å; L61-F65 WeakPolarHBondContact O-CD2 3.31Å; L61-F65 PolarHBondContact O-N 3.35Å; L61-F134 HydrophobicContact CD2-CZ 4.28Å; L61-L138 HydrophobicContact CD2-CD1 4.45Å |
| 62 | N | 98 | Very high | 96.3 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 176.7 | -170 | 76.9 | 0 | 0 | 0 | 110.5 | W35 Y58 E59 Y64 F65 E66 | W35-N62 PolarHBondContact NE1-OD1 3.38Å; Y58-N62 HydrophobicContact CE1-CB 4.5Å; Y58-N62 VanDerWaalsContact O-CB 3.24Å; Y58-N62 WeakPolarHBondContact O-CB 3.37Å; Y58-N62 PolarHBondContact O-N 3.15Å; E59-N62 PolarHBondContact O-N 2.95Å; N62-Y64 PolarHBondContact O-N 3.1Å; N62-F65 PolarHBondContact O-N 2.89Å; N62-E66 VanDerWaalsContact ND2-CD 3.3Å; N62-E66 PolarHBondContact ND2-OE1 2.97Å; N62-E66 WeakPolarHBondContact O-CB 3.5Å; N62-E66 VanDerWaalsContact O-CG 3.3Å; N62-E66 WeakPolarHBondContact O-CG 3.33Å; N62-E66 PolarHBondContact O-N 3.38Å |
| 63 | A | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E59 L60 E66 N67 S71 M72 A75 | E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 3.48Å; L60-A63 PolarHBondContact O-N 3.14Å; A63-E66 PolarHBondContact O-N 2.82Å; A63-N67 PolarHBondContact O-N 3.27Å; A63-S71 WeakPolarHBondContact CA-OG 3.5Å; A63-M72 HydrophobicContact CB-CB 4.31Å; A63-M72 HydrophobicContact CB-CE 4.12Å; A63-M72 HydrophobicContact CB-SD 4.23Å; A63-A75 HydrophobicContact CB-CB 3.8Å |
| 64 | Y | 97.7 | Very high | 96.9 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.6 | -179.9 | -105.3 | 0 | 0 | 0 | 111.6 | T28 L60 L61 N62 N67 M72 F134 W135 | T28-Y64 HydrophobicContact CG2-CE1 4.39Å; L60-Y64 WeakPolarHBondContact O-CB 3.36Å; L60-Y64 PolarHBondContact O-N 3.38Å; L61-Y64 WeakPolarHBondContact O-CB 3.34Å; L61-Y64 PolarHBondContact O-N 2.83Å; N62-Y64 PolarHBondContact O-N 3.1Å; Y64-N67 PolarHBondContact O-N 3.28Å; Y64-M72 HydrophobicContact CD2-CE 4.38Å; Y64-F134 HydrophobicContact CD1-CZ 4.15Å; Y64-F134 AromaticContact CD2-CD1 3.84Å; Y64-F134 HydrophobicContact CD2-CD1 3.84Å; Y64-F134 HydrophobicContact CD2-CD2 4.49Å; Y64-F134 AromaticContact CD2-CE1 3.43Å; Y64-F134 HydrophobicContact CD2-CE1 3.43Å; Y64-F134 VanDerWaalsContact CD2-CE1 3.43Å; Y64-F134 HydrophobicContact CD2-CE2 4.14Å; Y64-F134 HydrophobicContact CD2-CG 4.35Å; Y64-F134 AromaticContact CD2-CZ 3.59Å; Y64-F134 HydrophobicContact CD2-CZ 3.59Å; Y64-F134 HydrophobicContact CE2-CD1 4.19Å; Y64-F134 AromaticContact CE2-CE1 3.7Å; Y64-F134 HydrophobicContact CE2-CE1 3.7Å; Y64-F134 HydrophobicContact CE2-CZ 4.22Å; Y64-F134 AromaticContact CG-CE1 3.9Å; Y64-F134 HydrophobicContact CG-CE1 3.9Å; Y64-F134 HydrophobicContact CG-CE2 4Å; Y64-F134 AromaticContact CG-CZ 3.55Å; Y64-F134 HydrophobicContact CG-CZ 3.55Å; Y64-W135 HydrophobicContact CE2-CZ2 4.08Å |
| 65 | F | 97.6 | Very high | 97 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -78.1 | -24.7 | 179.9 | -67.7 | -54.3 | 0 | 0 | 0 | 114.4 | T28 L31 R32 W35 L61 N62 N67 | T28-F65 HydrophobicContact CG2-CE1 4.22Å; L31-F65 HydrophobicContact CB-CZ 4.02Å; R32-F65 HydrophobicContact CB-CE1 4.21Å; R32-F65 HydrophobicContact CB-CE2 4.23Å; R32-F65 HydrophobicContact CB-CZ 3.73Å; R32-F65 VanDerWaalsContact NH2-CD1 3.34Å; W35-F65 HydrophobicContact CB-CD2 4.2Å; W35-F65 HydrophobicContact CB-CE2 3.83Å; W35-F65 HydrophobicContact CD2-CD2 4.06Å; W35-F65 HydrophobicContact CE3-CD2 4.39Å; W35-F65 AromaticContact CG-CD2 3.96Å; W35-F65 HydrophobicContact CG-CD2 3.96Å; W35-F65 HydrophobicContact CG-CE2 4.11Å; L61-F65 HydrophobicContact CB-CD2 4.44Å; L61-F65 HydrophobicContact CB-CE2 4.28Å; L61-F65 HydrophobicContact CD2-CE2 4.43Å; L61-F65 WeakPolarHBondContact O-CD2 3.31Å; L61-F65 PolarHBondContact O-N 3.35Å; N62-F65 PolarHBondContact O-N 2.89Å; F65-N67 PolarHBondContact O-N 3.07Å |
| 66 | E | 96.3 | Very high | 97.1 | Very high | 106 Ų | 106 | 37.3 Ų | 37.3 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.6 | -18.7 | 169.1 | -79 | 176.3 | -177.2 | 0 | 0 | 112.6 | N62 A63 S68 S71 | N62-E66 VanDerWaalsContact ND2-CD 3.3Å; N62-E66 PolarHBondContact ND2-OE1 2.97Å; N62-E66 WeakPolarHBondContact O-CB 3.5Å; N62-E66 VanDerWaalsContact O-CG 3.3Å; N62-E66 WeakPolarHBondContact O-CG 3.33Å; N62-E66 PolarHBondContact O-N 3.38Å; A63-E66 PolarHBondContact O-N 2.82Å; E66-S68 VanDerWaalsContact C-N 3.26Å; E66-S68 PolarHBondContact O-N 2.8Å; E66-S71 WeakPolarHBondContact OE2-CB 3.48Å; E66-S71 PolarHBondContact OE2-OG 3.04Å |
| 67 | N | 94.2 | Very high | 97.1 | Very high | 152 Ų | 152 | 39 Ų | 39 | 81% | 0.813 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 44.3 | 179.9 | -166.2 | 36.8 | 0 | 0 | 0 | 112.6 | A63 Y64 F65 | A63-N67 PolarHBondContact O-N 3.27Å; Y64-N67 PolarHBondContact O-N 3.28Å; F65-N67 PolarHBondContact O-N 3.07Å |
| 68 | S | 95.2 | Very high | 96.9 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | trans | -124.5 | 119.9 | -176.9 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | E66 Q70 S71 M72 | E66-S68 VanDerWaalsContact C-N 3.26Å; E66-S68 PolarHBondContact O-N 2.8Å; S68-Q70 PolarHBondContact O-N 3.27Å; S68-S71 PolarHBondContact O-N 2.89Å; S68-S71 VanDerWaalsContact O-N 3.09Å; S68-S71 PolarHBondContact OG-N 3.43Å; S68-M72 PolarHBondContact O-N 3.01Å | ||
| 69 | S | 95.8 | Very high | 96.8 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.6 | -35 | 177.7 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | M72 A73 | S69-M72 PolarHBondContact O-N 3.14Å; S69-A73 VanDerWaalsContact O-CB 3.27Å; S69-A73 WeakPolarHBondContact O-CB 3.34Å; S69-A73 PolarHBondContact O-N 3.47Å |
| 70 | Q | 96.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 41.1 Ų | 41.1 | 43% | 0.425 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 175.9 | -176.7 | 64 | 31.9 | 0 | 0 | 111.5 | S68 L74 | S68-Q70 PolarHBondContact O-N 3.27Å; Q70-L74 HydrophobicContact CG-CD1 4.47Å; Q70-L74 WeakPolarHBondContact O-CG 3.41Å; Q70-L74 PolarHBondContact O-N 3.34Å; Q70-L74 VanDerWaalsContact O-N 3.11Å |
| 71 | S | 97.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 178.1 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | A63 E66 S68 L74 A75 | A63-S71 WeakPolarHBondContact CA-OG 3.5Å; E66-S71 WeakPolarHBondContact OE2-CB 3.48Å; E66-S71 PolarHBondContact OE2-OG 3.04Å; S68-S71 PolarHBondContact O-N 2.89Å; S68-S71 VanDerWaalsContact O-N 3.09Å; S68-S71 PolarHBondContact OG-N 3.43Å; S71-L74 PolarHBondContact O-N 3.45Å; S71-A75 WeakPolarHBondContact O-CB 3.27Å; S71-A75 PolarHBondContact O-N 3.42Å |
| 72 | M | 98.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 178.3 | -173.1 | 56.4 | 75.1 | 0 | 0 | 112.4 | A63 Y64 S68 S69 L74 A75 L76 L130 F134 | A63-M72 HydrophobicContact CB-CB 4.31Å; A63-M72 HydrophobicContact CB-CE 4.12Å; A63-M72 HydrophobicContact CB-SD 4.23Å; Y64-M72 HydrophobicContact CD2-CE 4.38Å; S68-M72 PolarHBondContact O-N 3.01Å; S69-M72 PolarHBondContact O-N 3.14Å; M72-L74 VanDerWaalsContact C-N 3.32Å; M72-L74 PolarHBondContact O-N 3Å; M72-A75 PolarHBondContact O-N 3.08Å; M72-L76 HydrophobicContact CG-CD1 3.81Å; M72-L76 HydrophobicContact CG-CG 4.44Å; M72-L76 WeakPolarHBondContact O-CB 3.39Å; M72-L76 WeakPolarHBondContact O-CG 3.07Å; M72-L76 PolarHBondContact O-N 3.44Å; M72-L76 HydrophobicContact SD-CD1 4.07Å; M72-L76 HydrophobicContact SD-CG 4.15Å; M72-L130 HydrophobicContact CG-CB 3.95Å; M72-F134 HydrophobicContact CE-CB 3.98Å; M72-F134 HydrophobicContact CE-CD2 3.57Å; M72-F134 HydrophobicContact CE-CE2 4.28Å; M72-F134 HydrophobicContact CE-CG 3.85Å; M72-F134 HydrophobicContact SD-CB 3.85Å; M72-F134 HydrophobicContact SD-CD2 3.91Å; M72-F134 HydrophobicContact SD-CG 4.23Å |
| 73 | A | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S69 L76 M77 I119 I124 L130 | S69-A73 VanDerWaalsContact O-CB 3.27Å; S69-A73 WeakPolarHBondContact O-CB 3.34Å; S69-A73 PolarHBondContact O-N 3.47Å; A73-L76 PolarHBondContact O-N 2.72Å; A73-M77 WeakPolarHBondContact O-CB 3.44Å; A73-M77 PolarHBondContact O-N 3.48Å; A73-I119 HydrophobicContact CB-CD1 3.92Å; A73-I119 HydrophobicContact CB-CG1 4.08Å; A73-I119 HydrophobicContact CB-CG2 3.82Å; A73-I119 WeakPolarHBondContact O-CD1 3.5Å; A73-I124 HydrophobicContact CB-CG2 4.48Å; A73-L130 HydrophobicContact CB-CD2 4.11Å |
| 74 | L | 96.9 | Very high | 93.6 | Very high | 69 Ų | 69 | 44 Ų | 44 | 36% | 0.361 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 177.3 | -69.4 | 175.2 | 0 | 0 | 0 | 112.7 | Q70 S71 M72 M77 R78 | Q70-L74 HydrophobicContact CG-CD1 4.47Å; Q70-L74 WeakPolarHBondContact O-CG 3.41Å; Q70-L74 PolarHBondContact O-N 3.34Å; Q70-L74 VanDerWaalsContact O-N 3.11Å; S71-L74 PolarHBondContact O-N 3.45Å; M72-L74 VanDerWaalsContact C-N 3.32Å; M72-L74 PolarHBondContact O-N 3Å; L74-M77 PolarHBondContact O-N 2.86Å; L74-R78 WeakPolarHBondContact O-CG 3.29Å; L74-R78 PolarHBondContact O-N 3.19Å |
| 75 | A | 97.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 5% | 0.05 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E59 L60 A63 S71 M72 R78 F79 | E59-A75 HydrophobicContact CB-CB 4.32Å; L60-A75 HydrophobicContact CD2-CB 4.22Å; A63-A75 HydrophobicContact CB-CB 3.8Å; S71-A75 WeakPolarHBondContact O-CB 3.27Å; S71-A75 PolarHBondContact O-N 3.42Å; M72-A75 PolarHBondContact O-N 3.08Å; A75-R78 PolarHBondContact O-N 3.19Å; A75-F79 WeakPolarHBondContact O-CB 3.41Å; A75-F79 PolarHBondContact O-N 3.36Å |
| 76 | L | 97.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 177.1 | -72.8 | 165.5 | 0 | 0 | 0 | 112.4 | L60 M72 A73 R78 F79 V80 L115 L130 A133 | L60-L76 HydrophobicContact CD2-CD2 3.75Å; L60-L76 HydrophobicContact CD2-CG 4.14Å; M72-L76 HydrophobicContact CG-CD1 3.81Å; M72-L76 HydrophobicContact CG-CG 4.44Å; M72-L76 WeakPolarHBondContact O-CB 3.39Å; M72-L76 WeakPolarHBondContact O-CG 3.07Å; M72-L76 PolarHBondContact O-N 3.44Å; M72-L76 HydrophobicContact SD-CD1 4.07Å; M72-L76 HydrophobicContact SD-CG 4.15Å; A73-L76 PolarHBondContact O-N 2.72Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.12Å; L76-F79 WeakPolarHBondContact O-CB 3.17Å; L76-F79 PolarHBondContact O-N 3.46Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.04Å; L76-L115 HydrophobicContact CB-CD2 4.37Å; L76-L115 HydrophobicContact CD1-CD2 4.11Å; L76-L130 HydrophobicContact CD1-CB 4.44Å; L76-L130 HydrophobicContact CD1-CD2 3.77Å; L76-A133 HydrophobicContact CD1-CB 3.54Å; L76-A133 HydrophobicContact CD2-CB 3.75Å; L76-A133 HydrophobicContact CG-CB 4.28Å |
| 77 | M | 95.1 | Very high | 89.7 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 172.5 | 173.9 | -174.4 | -68.8 | 0 | 0 | 111.4 | A73 L74 S81 R116 I119 A120 | A73-M77 WeakPolarHBondContact O-CB 3.44Å; A73-M77 PolarHBondContact O-N 3.48Å; L74-M77 PolarHBondContact O-N 2.86Å; M77-S81 VanDerWaalsContact O-CB 3.29Å; M77-S81 WeakPolarHBondContact O-CB 3.32Å; M77-S81 PolarHBondContact O-N 3.06Å; M77-S81 PolarHBondContact O-OG 2.85Å; M77-R116 HydrophobicContact CG-CG 4.1Å; M77-I119 HydrophobicContact CE-CB 3.57Å; M77-I119 HydrophobicContact CE-CG2 3.36Å; M77-A120 HydrophobicContact CE-CB 3.78Å |
| 78 | R | 93 | Very high | 88.3 | Confident | 134 Ų | 134 | 33.8 Ų | 33.8 | 51% | 0.506 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 178.1 | -72.5 | 173.9 | -167.5 | -96.4 | -1.6 | 111.4 | E59 L74 A75 L76 V80 S81 L82 | E59-R78 VanDerWaalsContact OE2-CB 3.32Å; E59-R78 WeakPolarHBondContact OE2-CB 3.37Å; E59-R78 WeakPolarHBondContact OE2-CD 3.45Å; L74-R78 WeakPolarHBondContact O-CG 3.29Å; L74-R78 PolarHBondContact O-N 3.19Å; A75-R78 PolarHBondContact O-N 3.19Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.12Å; R78-V80 PolarHBondContact O-N 2.85Å; R78-S81 PolarHBondContact O-N 3.36Å; R78-L82 WeakPolarHBondContact O-CB 3.49Å; R78-L82 WeakPolarHBondContact O-CG 3.44Å; R78-L82 PolarHBondContact O-N 2.92Å |
| 79 | F | 95.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51.5 | -55.2 | 175.1 | 167.6 | -93.8 | 0 | 0 | 0 | 111.7 | C56 L60 A75 L76 S81 L82 L83 L108 L112 W136 S137 Y140 L141 | C56-F79 HydrophobicContact CB-CD2 4.15Å; L60-F79 HydrophobicContact CD1-CD2 3.91Å; L60-F79 HydrophobicContact CD1-CE2 4.45Å; L60-F79 HydrophobicContact CD1-CG 4.41Å; A75-F79 WeakPolarHBondContact O-CB 3.41Å; A75-F79 PolarHBondContact O-N 3.36Å; L76-F79 WeakPolarHBondContact O-CB 3.17Å; L76-F79 PolarHBondContact O-N 3.46Å; F79-S81 VanDerWaalsContact C-N 3.33Å; F79-S81 PolarHBondContact O-N 3.11Å; F79-L82 PolarHBondContact O-N 2.85Å; F79-L83 HydrophobicContact CD1-CD1 4.37Å; F79-L83 HydrophobicContact CD2-CD1 3.68Å; F79-L83 HydrophobicContact CD2-CG 4.49Å; F79-L83 HydrophobicContact CE1-CD1 3.88Å; F79-L83 HydrophobicContact CE2-CD1 3.14Å; F79-L83 HydrophobicContact CE2-CG 4.32Å; F79-L83 HydrophobicContact CG-CD1 4.28Å; F79-L83 HydrophobicContact CZ-CD1 3.24Å; F79-L83 PolarHBondContact O-N 3.12Å; F79-L83 VanDerWaalsContact O-N 3.11Å; F79-L108 HydrophobicContact CE1-CD2 4.31Å; F79-L108 HydrophobicContact CZ-CD2 4.46Å; F79-L112 HydrophobicContact CE1-CD1 4.46Å; F79-W136 HydrophobicContact CE1-CZ3 4.41Å; F79-W136 HydrophobicContact CZ-CZ3 4.35Å; F79-S137 WeakPolarHBondContact CD1-OG 3.28Å; F79-S137 WeakPolarHBondContact CE1-OG 3.48Å; F79-S137 WeakPolarHBondContact CZ-OG 3.45Å; F79-Y140 HydrophobicContact CE2-CD1 4.43Å; F79-Y140 HydrophobicContact CZ-CD1 4.08Å; F79-L141 HydrophobicContact CD2-CD1 4.09Å; F79-L141 HydrophobicContact CE2-CD1 3.85Å; F79-L141 HydrophobicContact CE2-CD2 4.19Å; F79-L141 HydrophobicContact CE2-CG 3.87Å |
| 80 | V | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | L76 R78 S84 L108 L112 R116 | L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.04Å; R78-V80 PolarHBondContact O-N 2.85Å; V80-S84 WeakPolarHBondContact O-CB 3.38Å; V80-S84 PolarHBondContact O-N 3.5Å; V80-S84 VanDerWaalsContact O-N 3.13Å; V80-S84 PolarHBondContact O-OG 2.75Å; V80-L108 HydrophobicContact CG1-CD1 4.36Å; V80-L112 HydrophobicContact CG2-CB 4.15Å; V80-R116 HydrophobicContact CB-CB 4.05Å; V80-R116 HydrophobicContact CB-CG 4.17Å; V80-R116 HydrophobicContact CG1-CB 3.93Å; V80-R116 HydrophobicContact CG1-CG 4.12Å; V80-R116 HydrophobicContact CG2-CB 4.37Å |
| 81 | S | 89.5 | Confident | 83.9 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | -178.2 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | M77 R78 F79 S84 S85 | M77-S81 VanDerWaalsContact O-CB 3.29Å; M77-S81 WeakPolarHBondContact O-CB 3.32Å; M77-S81 PolarHBondContact O-N 3.06Å; M77-S81 PolarHBondContact O-OG 2.85Å; R78-S81 PolarHBondContact O-N 3.36Å; F79-S81 VanDerWaalsContact C-N 3.33Å; F79-S81 PolarHBondContact O-N 3.11Å; S81-S84 PolarHBondContact O-OG 2.64Å; S81-S85 VanDerWaalsContact O-CB 3.31Å; S81-S85 WeakPolarHBondContact O-CB 3.46Å; S81-S85 PolarHBondContact O-N 3.12Å; S81-S85 PolarHBondContact O-OG 3.32Å |
| 82 | L | 85.6 | Confident | 82.4 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -75.8 | -39.2 | -176.6 | -74.3 | 173.5 | 0 | 0 | 0 | 113.2 | R52 R78 F79 S85 E86 | R52-L82 PolarHBondContact NH1-O 2.92Å; R78-L82 WeakPolarHBondContact O-CB 3.49Å; R78-L82 WeakPolarHBondContact O-CG 3.44Å; R78-L82 PolarHBondContact O-N 2.92Å; F79-L82 PolarHBondContact O-N 2.85Å; L82-S85 PolarHBondContact O-OG 3.2Å; L82-E86 PolarHBondContact O-N 3.4Å |
| 83 | L | 78 | Confident | 80.7 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.8 | -43.7 | 179 | -75 | 177.2 | 0 | 0 | 0 | 112.1 | F79 S85 E86 L108 Y140 | F79-L83 HydrophobicContact CD1-CD1 4.37Å; F79-L83 HydrophobicContact CD2-CD1 3.68Å; F79-L83 HydrophobicContact CD2-CG 4.49Å; F79-L83 HydrophobicContact CE1-CD1 3.88Å; F79-L83 HydrophobicContact CE2-CD1 3.14Å; F79-L83 HydrophobicContact CE2-CG 4.32Å; F79-L83 HydrophobicContact CG-CD1 4.28Å; F79-L83 HydrophobicContact CZ-CD1 3.24Å; F79-L83 PolarHBondContact O-N 3.12Å; F79-L83 VanDerWaalsContact O-N 3.11Å; L83-S85 VanDerWaalsContact C-N 3.3Å; L83-S85 PolarHBondContact O-N 3.37Å; L83-E86 PolarHBondContact O-N 3.01Å; L83-L108 HydrophobicContact CB-CD1 4.48Å; L83-L108 HydrophobicContact CD1-CD2 4.49Å; L83-Y140 HydrophobicContact CD1-CD1 3.96Å; L83-Y140 HydrophobicContact CD1-CE1 3.67Å; L83-Y140 HydrophobicContact CD2-CE1 4.41Å |
| 84 | S | 77.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -33.9 | 179.6 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | V80 S81 I99 L102 | V80-S84 WeakPolarHBondContact O-CB 3.38Å; V80-S84 PolarHBondContact O-N 3.5Å; V80-S84 VanDerWaalsContact O-N 3.13Å; V80-S84 PolarHBondContact O-OG 2.75Å; S81-S84 PolarHBondContact O-OG 2.64Å; S84-I99 WeakPolarHBondContact OG-CD1 3.5Å; S84-L102 WeakPolarHBondContact O-CB 3.37Å |
| 85 | S | 75.9 | Confident | 77.9 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -81 | -9.3 | 178.5 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | R52 S81 L82 L83 S87 Q88 D89 | R52-S85 PolarHBondContact NH1-OG 2.93Å; S81-S85 VanDerWaalsContact O-CB 3.31Å; S81-S85 WeakPolarHBondContact O-CB 3.46Å; S81-S85 PolarHBondContact O-N 3.12Å; S81-S85 PolarHBondContact O-OG 3.32Å; L82-S85 PolarHBondContact O-OG 3.2Å; L83-S85 VanDerWaalsContact C-N 3.3Å; L83-S85 PolarHBondContact O-N 3.37Å; S85-S87 PolarHBondContact O-N 3.32Å; S85-Q88 PolarHBondContact O-N 3.08Å; S85-D89 WeakPolarHBondContact O-CB 3.41Å; S85-D89 PolarHBondContact O-N 2.91Å |
| 86 | E | 70.2 | Confident | 76.4 | Confident | 50 Ų | 50 | 68.6 Ų | 68.6 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | -172.5 | -175.7 | 173.6 | -172.9 | 0 | 0 | 113.1 | L82 L83 R90 | L82-E86 PolarHBondContact O-N 3.4Å; L83-E86 PolarHBondContact O-N 3.01Å; E86-R90 WeakPolarHBondContact O-CG 3.33Å; E86-R90 PolarHBondContact O-N 2.82Å; E86-R90 IonicContact OE1-CZ 3.22Å; E86-R90 IonicContact OE1-NH1 2.75Å; E86-R90 PolarHBondContact OE1-NH1 3.31Å; E86-R90 IonicContact OE1-NH2 3.32Å; E86-R90 PolarHBondContact OE1-NH2 3.37Å |
| 87 | S | 63.1 | Low | 75.2 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | 177.5 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | S85 R90 E91 | S85-S87 PolarHBondContact O-N 3.32Å; S87-R90 PolarHBondContact O-N 3.5Å; S87-E91 WeakPolarHBondContact O-CB 3.48Å; S87-E91 PolarHBondContact O-N 3.33Å |
| 88 | Q | 65.5 | Low | 74.3 | Confident | 31 Ų | 31 | 75 Ų | 75 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 178.1 | -171.2 | -173.7 | -64.9 | 0 | 0 | 111.5 | S85 R90 E91 R92 F95 L97 L102 | S85-Q88 PolarHBondContact O-N 3.08Å; Q88-R90 PolarHBondContact O-N 3.23Å; Q88-E91 PolarHBondContact O-N 2.76Å; Q88-R92 CarbonylContact O-C 3.54Å; Q88-R92 WeakPolarHBondContact O-CA 3.26Å; Q88-R92 PolarHBondContact O-N 3.35Å; Q88-F95 VanDerWaalsContact CG-O 3.31Å; Q88-F95 WeakPolarHBondContact CG-O 3.35Å; Q88-F95 PolarHBondContact NE2-O 2.73Å; Q88-F95 VanDerWaalsContact NE2-O 3.09Å; Q88-F95 PolarHBondContact OE1-O 3.48Å; Q88-L97 VanDerWaalsContact OE1-N 3.07Å; Q88-L102 HydrophobicContact CB-CD2 4.02Å |
| 89 | D | 65.1 | Low | 73.2 | Confident | 67 Ų | 67 | 70 Ų | 70 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -30.8 | -178.1 | -68.5 | -17.9 | 0 | 0 | 0 | 112.1 | R52 S85 | R52-D89 IonicContact CZ-OD2 2.68Å; R52-D89 IonicContact NH1-OD2 3.04Å; R52-D89 PolarHBondContact NH1-OD2 3.38Å; R52-D89 IonicContact NH2-OD2 2.6Å; R52-D89 PolarHBondContact NH2-OD2 3.35Å; S85-D89 WeakPolarHBondContact O-CB 3.41Å; S85-D89 PolarHBondContact O-N 2.91Å |
| 90 | R | 64.7 | Low | 72.3 | Confident | 186 Ų | 186 | 73.7 Ų | 73.7 | 70% | 0.702 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -81.6 | -46.2 | 177.8 | -74.8 | -175.2 | 176.8 | 147.1 | 13.3 | 113.2 | E86 S87 Q88 | E86-R90 WeakPolarHBondContact O-CG 3.33Å; E86-R90 PolarHBondContact O-N 2.82Å; E86-R90 IonicContact OE1-CZ 3.22Å; E86-R90 IonicContact OE1-NH1 2.75Å; E86-R90 PolarHBondContact OE1-NH1 3.31Å; E86-R90 IonicContact OE1-NH2 3.32Å; E86-R90 PolarHBondContact OE1-NH2 3.37Å; S87-R90 PolarHBondContact O-N 3.5Å; Q88-R90 PolarHBondContact O-N 3.23Å |
| 91 | E | 64.7 | Low | 71.6 | Confident | 155 Ų | 155 | 76.3 Ų | 76.3 | 72% | 0.724 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -98.4 | -30.1 | -168.7 | -62 | -177.4 | 178.6 | 0 | 0 | 113.3 | S87 Q88 | S87-E91 WeakPolarHBondContact O-CB 3.48Å; S87-E91 PolarHBondContact O-N 3.33Å; Q88-E91 PolarHBondContact O-N 2.76Å |
| 92 | R | 65.7 | Low | 71 | Confident | 152 Ų | 152 | 75.2 Ų | 75.2 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | trans | -147.1 | 63.7 | -172.4 | -61 | -172.5 | -175.7 | -177.1 | 1.6 | 112.1 | Q88 N94 F95 | Q88-R92 CarbonylContact O-C 3.54Å; Q88-R92 WeakPolarHBondContact O-CA 3.26Å; Q88-R92 PolarHBondContact O-N 3.35Å; R92-N94 PolarHBondContact O-N 3.11Å; R92-F95 HydrophobicContact CB-CB 4.39Å; R92-F95 PolarHBondContact O-N 3.28Å; R92-F95 VanDerWaalsContact O-N 3.16Å | ||
| 93 | P | 63.7 | Low | 70.5 | Confident | 90 Ų | 90 | 73 Ų | 73 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.3 | -176.2 | 23.9 | -34.6 | 0 | 0 | 0 | 113.9 | ||
| 94 | N | 71 | Confident | 70.5 | Confident | 148 Ų | 148 | 82.2 Ų | 82.2 | 79% | 0.791 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.3 | -175.8 | -61.3 | -20 | 0 | 0 | 0 | 114.7 | R92 | R92-N94 PolarHBondContact O-N 3.11Š|
| 95 | F | 64.4 | Low | 70.5 | Confident | 143 Ų | 143 | 87.3 Ų | 87.3 | 63% | 0.627 | 45% | 0.446 | S | S | * | . | trans | -123.8 | 114.2 | -178 | -77.4 | -88.3 | 0 | 0 | 0 | 111.2 | Q88 R92 | Q88-F95 VanDerWaalsContact CG-O 3.31Å; Q88-F95 WeakPolarHBondContact CG-O 3.35Å; Q88-F95 PolarHBondContact NE2-O 2.73Å; Q88-F95 VanDerWaalsContact NE2-O 3.09Å; Q88-F95 PolarHBondContact OE1-O 3.48Å; R92-F95 HydrophobicContact CB-CB 4.39Å; R92-F95 PolarHBondContact O-N 3.28Å; R92-F95 VanDerWaalsContact O-N 3.16Å | ||
| 96 | A | 66.8 | Low | 70.6 | Confident | 95 Ų | 95 | 87.4 Ų | 87.4 | 79% | 0.785 | 45% | 0.449 | S | S | * | . | trans | -82.2 | 115.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 97 | L | 71.6 | Confident | 71.2 | Confident | 89 Ų | 89 | 87.6 Ų | 87.6 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | trans | -95.6 | 153.8 | 170.6 | -68.6 | 174.6 | 0 | 0 | 0 | 111.1 | Q88 L102 | Q88-L97 VanDerWaalsContact OE1-N 3.07Å; L97-L102 HydrophobicContact CB-CD1 4.45Å; L97-L102 HydrophobicContact CB-CD2 3.86Å; L97-L102 HydrophobicContact CB-CG 3.94Å; L97-L102 HydrophobicContact CD1-CD2 3.98Å | ||
| 98 | P | 75.7 | Confident | 72.4 | Confident | 82 Ų | 82 | 86.2 Ų | 86.2 | 53% | 0.532 | 45% | 0.453 | S | S | . | . | trans | -58.4 | 139.7 | 172.2 | -22.6 | 33.4 | 0 | 0 | 0 | 111.6 | L100 S101 L102 | P98-L100 PolarHBondContact O-N 2.78Å; P98-S101 WeakPolarHBondContact O-CA 3.25Å; P98-S101 WeakPolarHBondContact O-CB 3.31Å; P98-S101 PolarHBondContact O-N 2.88Å; P98-L102 PolarHBondContact O-N 3.15Å; P98-L102 VanDerWaalsContact O-N 3.11Å | ||
| 99 | I | 71.6 | Confident | 73.7 | Confident | 31 Ų | 31 | 86.3 Ų | 86.3 | 16% | 0.159 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -56 | -36.3 | -178.4 | -169.4 | 64.9 | 0 | 0 | 0 | 113 | S84 S101 L102 A103 | S84-I99 WeakPolarHBondContact OG-CD1 3.5Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 3.15Å; I99-L102 PolarHBondContact O-N 3.41Å; I99-A103 VanDerWaalsContact O-CB 3.24Å; I99-A103 WeakPolarHBondContact O-CB 3.35Å; I99-A103 PolarHBondContact O-N 3.4Å |
| 100 | L | 75.1 | Confident | 74.9 | Confident | 77 Ų | 77 | 87 Ų | 87 | 40% | 0.403 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 176.3 | -77.6 | 164.2 | 0 | 0 | 0 | 112.2 | P98 R104 A113 | P98-L100 PolarHBondContact O-N 2.78Å; L100-R104 WeakPolarHBondContact O-CB 3.44Å; L100-R104 PolarHBondContact O-N 3.47Å; L100-R104 VanDerWaalsContact O-N 3.16Å; L100-A113 HydrophobicContact CD2-CB 3.63Å; L100-A113 HydrophobicContact CG-CB 4.37Å |
| 101 | S | 77.5 | Confident | 76.3 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 38% | 0.378 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | P98 I99 R104 V105 | P98-S101 WeakPolarHBondContact O-CA 3.25Å; P98-S101 WeakPolarHBondContact O-CB 3.31Å; P98-S101 PolarHBondContact O-N 2.88Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 3.15Å; S101-R104 PolarHBondContact O-N 3.45Å; S101-V105 WeakPolarHBondContact O-CG2 3.46Å; S101-V105 PolarHBondContact O-N 3.19Å; S101-V105 VanDerWaalsContact O-N 3.09Å |
| 102 | L | 77.4 | Confident | 77.7 | Confident | 11 Ų | 11 | 75.1 Ų | 75.1 | 6% | 0.058 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 178.4 | -68.1 | 177.2 | 0 | 0 | 0 | 112.6 | S84 Q88 L97 P98 I99 R104 V105 A106 | S84-L102 WeakPolarHBondContact O-CB 3.37Å; Q88-L102 HydrophobicContact CB-CD2 4.02Å; L97-L102 HydrophobicContact CB-CD1 4.45Å; L97-L102 HydrophobicContact CB-CD2 3.86Å; L97-L102 HydrophobicContact CB-CG 3.94Å; L97-L102 HydrophobicContact CD1-CD2 3.98Å; P98-L102 PolarHBondContact O-N 3.15Å; P98-L102 VanDerWaalsContact O-N 3.11Å; I99-L102 PolarHBondContact O-N 3.41Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.02Å; L102-V105 PolarHBondContact O-N 3.18Å; L102-A106 PolarHBondContact O-N 3.24Å |
| 103 | A | 74.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 68 Ų | 68 | 2% | 0.017 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I99 V105 A106 G107 L108 A113 | I99-A103 VanDerWaalsContact O-CB 3.24Å; I99-A103 WeakPolarHBondContact O-CB 3.35Å; I99-A103 PolarHBondContact O-N 3.4Å; A103-V105 PolarHBondContact O-N 3.4Å; A103-A106 CarbonylContact O-C 3.57Å; A103-A106 PolarHBondContact O-N 3.05Å; A103-G107 PolarHBondContact O-N 3.45Å; A103-G107 VanDerWaalsContact O-N 3.14Å; A103-L108 HydrophobicContact CB-CB 4.07Å; A103-L108 HydrophobicContact CB-CD1 4.31Å; A103-L108 WeakPolarHBondContact O-CB 3.41Å; A103-L108 PolarHBondContact O-N 2.92Å; A103-A113 HydrophobicContact CB-CB 4Å |
| 104 | R | 78.7 | Confident | 80.3 | Confident | 202 Ų | 202 | 67.1 Ų | 67.1 | 76% | 0.762 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 175.9 | -171 | -176.4 | -63.7 | 166.5 | -0.1 | 112.3 | L100 S101 L102 A106 G107 | L100-R104 WeakPolarHBondContact O-CB 3.44Å; L100-R104 PolarHBondContact O-N 3.47Å; L100-R104 VanDerWaalsContact O-N 3.16Å; S101-R104 PolarHBondContact O-N 3.45Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.02Å; R104-A106 VanDerWaalsContact C-N 3.31Å; R104-G107 PolarHBondContact O-N 3.32Å; R104-G107 VanDerWaalsContact O-N 3.15Å |
| 105 | V | 77.3 | Confident | 81.4 | Confident | 108 Ų | 108 | 60.5 Ų | 60.5 | 66% | 0.655 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.3 | -37.1 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | S101 L102 A103 G107 | S101-V105 WeakPolarHBondContact O-CG2 3.46Å; S101-V105 PolarHBondContact O-N 3.19Å; S101-V105 VanDerWaalsContact O-N 3.09Å; L102-V105 PolarHBondContact O-N 3.18Å; A103-V105 PolarHBondContact O-N 3.4Å; V105-G107 PolarHBondContact O-N 3.15Å |
| 106 | A | 78.6 | Confident | 82.8 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -1.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L102 A103 R104 L108 Y140 | L102-A106 PolarHBondContact O-N 3.24Å; A103-A106 CarbonylContact O-C 3.57Å; A103-A106 PolarHBondContact O-N 3.05Å; R104-A106 VanDerWaalsContact C-N 3.31Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 HydrophobicContact CB-CG 4.15Å; A106-L108 PolarHBondContact O-N 3.16Å; A106-Y140 PolarHBondContact O-OH 3.46Å |
| 107 | G | 82.9 | Confident | 84 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 17.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A103 R104 V105 | A103-G107 PolarHBondContact O-N 3.45Å; A103-G107 VanDerWaalsContact O-N 3.14Å; R104-G107 PolarHBondContact O-N 3.32Å; R104-G107 VanDerWaalsContact O-N 3.15Å; V105-G107 PolarHBondContact O-N 3.15Å |
| 108 | L | 88.2 | Confident | 85.1 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | trans | -79.8 | 141.3 | 176.7 | -56.5 | -179.8 | 0 | 0 | 0 | 110.8 | F79 V80 L83 A103 A106 W136 Y140 | F79-L108 HydrophobicContact CE1-CD2 4.31Å; F79-L108 HydrophobicContact CZ-CD2 4.46Å; V80-L108 HydrophobicContact CG1-CD1 4.36Å; L83-L108 HydrophobicContact CB-CD1 4.48Å; L83-L108 HydrophobicContact CD1-CD2 4.49Å; A103-L108 HydrophobicContact CB-CB 4.07Å; A103-L108 HydrophobicContact CB-CD1 4.31Å; A103-L108 WeakPolarHBondContact O-CB 3.41Å; A103-L108 PolarHBondContact O-N 2.92Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 HydrophobicContact CB-CG 4.15Å; A106-L108 PolarHBondContact O-N 3.16Å; L108-W136 HydrophobicContact CD2-CH2 3.74Å; L108-W136 HydrophobicContact CD2-CZ3 3.68Å; L108-Y140 HydrophobicContact CD2-CD2 4.37Å; L108-Y140 HydrophobicContact CD2-CE1 4.44Å; L108-Y140 HydrophobicContact CD2-CE2 4.09Å | ||
| 109 | P | 91.4 | Very high | 86.1 | Confident | 32 Ų | 32 | 50 Ų | 50 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | trans | -67.8 | 148.3 | 175.4 | 30.4 | -37.6 | 0 | 0 | 0 | 110.9 | W111 L112 W136 | P109-W111 VanDerWaalsContact C-N 3.25Å; P109-W111 HydrophobicContact CB-CG 4.43Å; P109-W111 HydrophobicContact CG-CZ2 4.32Å; P109-W111 PolarHBondContact O-N 2.9Å; P109-L112 HydrophobicContact CG-CB 4.34Å; P109-L112 HydrophobicContact CG-CD1 3.81Å; P109-L112 HydrophobicContact CG-CG 4.01Å; P109-L112 PolarHBondContact O-N 3.46Å; P109-L112 VanDerWaalsContact O-N 3.13Å; P109-W136 HydrophobicContact CG-CD2 4.34Å; P109-W136 HydrophobicContact CG-CH2 4.19Å; P109-W136 HydrophobicContact CG-CZ2 3.78Å | ||
| 110 | S | 90.2 | Very high | 87.1 | Confident | 81 Ų | 81 | 51 Ų | 51 | 57% | 0.566 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.5 | -38.1 | -176.3 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | L112 A113 D114 | S110-L112 PolarHBondContact O-N 3.28Å; S110-A113 WeakPolarHBondContact O-CA 3.47Å; S110-A113 WeakPolarHBondContact O-CB 3.46Å; S110-A113 PolarHBondContact O-N 2.97Å; S110-D114 PolarHBondContact O-N 3.29Å |
| 111 | W | 94.6 | Very high | 88 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -25.4 | -178.1 | 69.1 | -98.6 | 0 | 0 | 0 | 113.4 | P109 L115 A133 W136 | P109-W111 VanDerWaalsContact C-N 3.25Å; P109-W111 HydrophobicContact CB-CG 4.43Å; P109-W111 HydrophobicContact CG-CZ2 4.32Å; P109-W111 PolarHBondContact O-N 2.9Å; W111-L115 VanDerWaalsContact O-CB 3.25Å; W111-L115 WeakPolarHBondContact O-CB 3.49Å; W111-L115 PolarHBondContact O-N 2.99Å; W111-A133 HydrophobicContact CH2-CB 4.03Å; W111-A133 HydrophobicContact CZ3-CB 3.81Å; W111-W136 HydrophobicContact CH2-CB 4.32Å; W111-W136 HydrophobicContact CZ2-CB 4.2Å; W111-W136 HydrophobicContact CZ2-CG 4.04Å |
| 112 | L | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.9 | -32.7 | 172.6 | -79.5 | 178.6 | 0 | 0 | 0 | 112.4 | F79 V80 P109 S110 L115 R116 A133 W136 | F79-L112 HydrophobicContact CE1-CD1 4.46Å; V80-L112 HydrophobicContact CG2-CB 4.15Å; P109-L112 HydrophobicContact CG-CB 4.34Å; P109-L112 HydrophobicContact CG-CD1 3.81Å; P109-L112 HydrophobicContact CG-CG 4.01Å; P109-L112 PolarHBondContact O-N 3.46Å; P109-L112 VanDerWaalsContact O-N 3.13Å; S110-L112 PolarHBondContact O-N 3.28Å; L112-L115 HydrophobicContact CD2-CD2 3.95Å; L112-R116 WeakPolarHBondContact O-CB 3.21Å; L112-R116 PolarHBondContact O-N 3.48Å; L112-A133 HydrophobicContact CD2-CB 3.77Å; L112-W136 HydrophobicContact CD1-CD2 3.84Å; L112-W136 HydrophobicContact CD1-CE3 3.21Å; L112-W136 HydrophobicContact CD1-CH2 4.31Å; L112-W136 HydrophobicContact CD1-CZ3 3.49Å; L112-W136 VanDerWaalsContact CD1-CZ3 3.49Å |
| 113 | A | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.3 | -39 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L100 A103 S110 R116 N117 | L100-A113 HydrophobicContact CD2-CB 3.63Å; L100-A113 HydrophobicContact CG-CB 4.37Å; A103-A113 HydrophobicContact CB-CB 4Å; S110-A113 WeakPolarHBondContact O-CA 3.47Å; S110-A113 WeakPolarHBondContact O-CB 3.46Å; S110-A113 PolarHBondContact O-N 2.97Å; A113-R116 PolarHBondContact O-N 2.92Å; A113-N117 PolarHBondContact O-N 3.3Å; A113-N117 VanDerWaalsContact O-N 3.12Å; A113-N117 PolarHBondContact O-ND2 3.22Å |
| 114 | D | 92.9 | Very high | 90.5 | Very high | 72 Ų | 72 | 63.1 Ų | 63.1 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 174 | -60.3 | -30.5 | 0 | 0 | 0 | 110.6 | S110 R116 N117 D118 | S110-D114 PolarHBondContact O-N 3.29Å; D114-R116 VanDerWaalsContact C-N 3.28Å; D114-R116 PolarHBondContact O-N 3.05Å; D114-N117 WeakPolarHBondContact O-CA 3.48Å; D114-N117 WeakPolarHBondContact O-CB 3.33Å; D114-N117 PolarHBondContact O-N 2.94Å; D114-D118 PolarHBondContact O-N 3.01Å |
| 115 | L | 94.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51 | -47.3 | 173.7 | -170 | 84.5 | 0 | 0 | 0 | 111.8 | L76 W111 L112 N117 D118 I119 P125 T129 A133 | L76-L115 HydrophobicContact CB-CD2 4.37Å; L76-L115 HydrophobicContact CD1-CD2 4.11Å; W111-L115 VanDerWaalsContact O-CB 3.25Å; W111-L115 WeakPolarHBondContact O-CB 3.49Å; W111-L115 PolarHBondContact O-N 2.99Å; L112-L115 HydrophobicContact CD2-CD2 3.95Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.45Å; L115-D118 PolarHBondContact O-N 3.33Å; L115-I119 HydrophobicContact CD2-CD1 4.43Å; L115-I119 HydrophobicContact CG-CD1 4.02Å; L115-I119 VanDerWaalsContact O-CD1 3.31Å; L115-I119 WeakPolarHBondContact O-CD1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.41Å; L115-I119 VanDerWaalsContact O-N 3.12Å; L115-P125 HydrophobicContact CD1-CB 3.73Å; L115-P125 HydrophobicContact CD1-CG 3.34Å; L115-P125 HydrophobicContact CG-CG 4.11Å; L115-T129 HydrophobicContact CD1-CG2 3.54Å; L115-A133 HydrophobicContact CD2-CB 3.62Å |
| 116 | R | 94 | Very high | 92.2 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 177.4 | 176.5 | -86.4 | -179.3 | -164.6 | -3.6 | 111.8 | M77 V80 L112 A113 D114 A120 | M77-R116 HydrophobicContact CG-CG 4.1Å; V80-R116 HydrophobicContact CB-CB 4.05Å; V80-R116 HydrophobicContact CB-CG 4.17Å; V80-R116 HydrophobicContact CG1-CB 3.93Å; V80-R116 HydrophobicContact CG1-CG 4.12Å; V80-R116 HydrophobicContact CG2-CB 4.37Å; L112-R116 WeakPolarHBondContact O-CB 3.21Å; L112-R116 PolarHBondContact O-N 3.48Å; A113-R116 PolarHBondContact O-N 2.92Å; D114-R116 VanDerWaalsContact C-N 3.28Å; D114-R116 PolarHBondContact O-N 3.05Å; R116-A120 WeakPolarHBondContact O-CB 3.36Å; R116-A120 PolarHBondContact O-N 2.88Å |
| 117 | N | 92.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -43.6 | -179.9 | -70.3 | -26 | 0 | 0 | 0 | 111.3 | A113 D114 L115 I119 A120 H121 | A113-N117 PolarHBondContact O-N 3.3Å; A113-N117 VanDerWaalsContact O-N 3.12Å; A113-N117 PolarHBondContact O-ND2 3.22Å; D114-N117 WeakPolarHBondContact O-CA 3.48Å; D114-N117 WeakPolarHBondContact O-CB 3.33Å; D114-N117 PolarHBondContact O-N 2.94Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.45Å; N117-I119 VanDerWaalsContact C-N 3.33Å; N117-I119 PolarHBondContact O-N 3.32Å; N117-A120 WeakPolarHBondContact O-CB 3.22Å; N117-A120 PolarHBondContact O-N 3.05Å; N117-A120 VanDerWaalsContact O-N 3.14Å; N117-H121 PolarHBondContact O-CD2 3.46Å; N117-H121 PolarHBondContact O-N 3.37Å |
| 118 | D | 95.4 | Very high | 93.7 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 175.7 | -71.9 | -16.4 | 0 | 0 | 0 | 110.9 | D114 L115 A120 H121 G122 I123 | D114-D118 PolarHBondContact O-N 3.01Å; L115-D118 PolarHBondContact O-N 3.33Å; D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 PolarHBondContact O-N 3.27Å; D118-H121 CarbonylContact O-C 3.49Å; D118-H121 PolarHBondContact O-N 3.08Å; D118-H121 VanDerWaalsContact O-N 3.1Å; D118-G122 PolarHBondContact O-N 3.13Å; D118-I123 CarbonylContact C-O 3.33Å; D118-I123 HydrophobicContact CB-CB 4.12Å; D118-I123 HydrophobicContact CB-CG2 4.42Å; D118-I123 WeakPolarHBondContact O-CB 3.27Å; D118-I123 PolarHBondContact O-N 3.23Å |
| 119 | I | 96.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.072 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 179.5 | -55.9 | 158.6 | 0 | 0 | 0 | 110.9 | A73 M77 L115 N117 H121 G122 I123 P125 | A73-I119 HydrophobicContact CB-CD1 3.92Å; A73-I119 HydrophobicContact CB-CG1 4.08Å; A73-I119 HydrophobicContact CB-CG2 3.82Å; A73-I119 WeakPolarHBondContact O-CD1 3.5Å; M77-I119 HydrophobicContact CE-CB 3.57Å; M77-I119 HydrophobicContact CE-CG2 3.36Å; L115-I119 HydrophobicContact CD2-CD1 4.43Å; L115-I119 HydrophobicContact CG-CD1 4.02Å; L115-I119 VanDerWaalsContact O-CD1 3.31Å; L115-I119 WeakPolarHBondContact O-CD1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.41Å; L115-I119 VanDerWaalsContact O-N 3.12Å; N117-I119 VanDerWaalsContact C-N 3.33Å; N117-I119 PolarHBondContact O-N 3.32Å; I119-H121 PolarHBondContact O-N 3.47Å; I119-G122 PolarHBondContact O-N 3Å; I119-I123 VanDerWaalsContact CA-O 3.3Å; I119-I123 WeakPolarHBondContact CA-O 3.42Å; I119-I123 PolarHBondContact N-O 3.4Å; I119-P125 HydrophobicContact CD1-CG 4.31Å; I119-P125 HydrophobicContact CG1-CG 3.99Å |
| 120 | A | 92.6 | Very high | 94.5 | Very high | 51 Ų | 51 | 59.2 Ų | 59.2 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.6 | -28.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M77 R116 N117 D118 G122 | M77-A120 HydrophobicContact CE-CB 3.78Å; R116-A120 WeakPolarHBondContact O-CB 3.36Å; R116-A120 PolarHBondContact O-N 2.88Å; N117-A120 WeakPolarHBondContact O-CB 3.22Å; N117-A120 PolarHBondContact O-N 3.05Å; N117-A120 VanDerWaalsContact O-N 3.14Å; D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 PolarHBondContact O-N 3.27Å; A120-G122 VanDerWaalsContact C-N 3.29Å |
| 121 | H | 94.3 | Very high | 94.9 | Very high | 156 Ų | 156 | 60 Ų | 60 | 72% | 0.722 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 8.6 | 173.5 | -68.5 | -59.1 | 0 | 0 | 0 | 113.5 | N117 D118 I119 | N117-H121 PolarHBondContact O-CD2 3.46Å; N117-H121 PolarHBondContact O-N 3.37Å; D118-H121 CarbonylContact O-C 3.49Å; D118-H121 PolarHBondContact O-N 3.08Å; D118-H121 VanDerWaalsContact O-N 3.1Å; I119-H121 PolarHBondContact O-N 3.47Å |
| 122 | G | 93.8 | Very high | 95 | Very high | 63 Ų | 63 | 59 Ų | 59 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 10.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D118 I119 A120 | D118-G122 PolarHBondContact O-N 3.13Å; I119-G122 PolarHBondContact O-N 3Å; A120-G122 VanDerWaalsContact C-N 3.29Å |
| 123 | I | 95 | Very high | 95.2 | Very high | 97 Ų | 97 | 59 Ų | 59 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | trans | -90.4 | 113.1 | 175.6 | -55.8 | 171.1 | 0 | 0 | 0 | 107.8 | D118 I119 P125 | D118-I123 CarbonylContact C-O 3.33Å; D118-I123 HydrophobicContact CB-CB 4.12Å; D118-I123 HydrophobicContact CB-CG2 4.42Å; D118-I123 WeakPolarHBondContact O-CB 3.27Å; D118-I123 PolarHBondContact O-N 3.23Å; I119-I123 VanDerWaalsContact CA-O 3.3Å; I119-I123 WeakPolarHBondContact CA-O 3.42Å; I119-I123 PolarHBondContact N-O 3.4Å; I123-P125 WeakPolarHBondContact O-CD 3.49Å | ||
| 124 | I | 93.7 | Very high | 95.5 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 119.2 | 175.7 | -56.5 | 168.4 | 0 | 0 | 0 | 108.2 | A73 L130 | A73-I124 HydrophobicContact CB-CG2 4.48Å; I124-L130 HydrophobicContact CG2-CD1 4.36Å |
| 125 | P | 94.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 13% | 0.13 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 164.8 | 176.6 | -21.2 | 32.6 | 0 | 0 | 0 | 112.9 | L115 I119 I123 T129 L130 | L115-P125 HydrophobicContact CD1-CB 3.73Å; L115-P125 HydrophobicContact CD1-CG 3.34Å; L115-P125 HydrophobicContact CG-CG 4.11Å; I119-P125 HydrophobicContact CD1-CG 4.31Å; I119-P125 HydrophobicContact CG1-CG 3.99Å; I123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-T129 HydrophobicContact CB-CG2 4.09Å; P125-L130 HydrophobicContact CB-CD2 4.14Å; P125-L130 HydrophobicContact CB-CG 4.19Å; P125-L130 HydrophobicContact CG-CD2 4.06Å |
| 126 | S | 96.5 | Very high | 95.9 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 47% | 0.469 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 154.2 | 174.3 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | D128 T129 L130 | S126-D128 VanDerWaalsContact C-N 3.27Å; S126-D128 PolarHBondContact O-N 3.17Å; S126-T129 WeakPolarHBondContact O-CB 3.46Å; S126-T129 PolarHBondContact O-N 3.25Å; S126-T129 PolarHBondContact OG-N 2.73Å; S126-T129 PolarHBondContact OG-OG1 3.24Å; S126-L130 WeakPolarHBondContact O-CG 3.4Å; S126-L130 PolarHBondContact O-N 3.07Å |
| 127 | T | 96.1 | Very high | 96 | Very high | 86 Ų | 86 | 59.5 Ų | 59.5 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -53.7 | -44.4 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | T129 L130 E131 | T127-T129 VanDerWaalsContact C-N 3.28Å; T127-T129 PolarHBondContact O-N 3.12Å; T127-L130 PolarHBondContact O-N 3.03Å; T127-E131 WeakPolarHBondContact O-CB 3.48Å; T127-E131 PolarHBondContact O-N 3.47Å |
| 128 | D | 97 | Very high | 96.2 | Very high | 118 Ų | 118 | 57.8 Ų | 57.8 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 178.8 | -55.4 | -15.5 | 0 | 0 | 0 | 112.6 | S126 S132 | S126-D128 VanDerWaalsContact C-N 3.27Å; S126-D128 PolarHBondContact O-N 3.17Å; D128-S132 WeakPolarHBondContact O-CB 3.35Å; D128-S132 PolarHBondContact O-N 3.17Å; D128-S132 PolarHBondContact O-OG 3.46Å |
| 129 | T | 97.8 | Very high | 96.1 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | L115 P125 S126 T127 S132 A133 | L115-T129 HydrophobicContact CD1-CG2 3.54Å; P125-T129 HydrophobicContact CB-CG2 4.09Å; S126-T129 WeakPolarHBondContact O-CB 3.46Å; S126-T129 PolarHBondContact O-N 3.25Å; S126-T129 PolarHBondContact OG-N 2.73Å; S126-T129 PolarHBondContact OG-OG1 3.24Å; T127-T129 VanDerWaalsContact C-N 3.28Å; T127-T129 PolarHBondContact O-N 3.12Å; T129-S132 PolarHBondContact O-N 3.48Å; T129-A133 WeakPolarHBondContact O-CB 3.21Å; T129-A133 PolarHBondContact O-N 2.98Å |
| 130 | L | 98.2 | Very high | 96 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.4 | -67.5 | 174.3 | 0 | 0 | 0 | 111.9 | M72 A73 L76 I124 P125 S126 T127 A133 F134 | M72-L130 HydrophobicContact CG-CB 3.95Å; A73-L130 HydrophobicContact CB-CD2 4.11Å; L76-L130 HydrophobicContact CD1-CB 4.44Å; L76-L130 HydrophobicContact CD1-CD2 3.77Å; I124-L130 HydrophobicContact CG2-CD1 4.36Å; P125-L130 HydrophobicContact CB-CD2 4.14Å; P125-L130 HydrophobicContact CB-CG 4.19Å; P125-L130 HydrophobicContact CG-CD2 4.06Å; S126-L130 WeakPolarHBondContact O-CG 3.4Å; S126-L130 PolarHBondContact O-N 3.07Å; T127-L130 PolarHBondContact O-N 3.03Å; L130-A133 PolarHBondContact O-N 2.87Å; L130-F134 WeakPolarHBondContact O-CB 3.27Å; L130-F134 PolarHBondContact O-N 3.37Å |
| 131 | E | 97.4 | Very high | 96 | Very high | 97 Ų | 97 | 61.1 Ų | 61.1 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 175.9 | -179.7 | 170.2 | -166.3 | 0 | 0 | 111.4 | T127 A133 F134 W135 | T127-E131 WeakPolarHBondContact O-CB 3.48Å; T127-E131 PolarHBondContact O-N 3.47Å; E131-A133 VanDerWaalsContact C-N 3.29Å; E131-A133 PolarHBondContact O-N 3.49Å; E131-F134 WeakPolarHBondContact O-CB 3.15Å; E131-F134 PolarHBondContact O-N 3.43Å; E131-W135 PolarHBondContact O-N 3.47Å; E131-W135 PolarHBondContact OE1-NE1 3.44Å |
| 132 | S | 97.8 | Very high | 96 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 175.1 | -61 | 0 | 0 | 0 | 0 | 111.7 | D128 T129 W136 | D128-S132 WeakPolarHBondContact O-CB 3.35Å; D128-S132 PolarHBondContact O-N 3.17Å; D128-S132 PolarHBondContact O-OG 3.46Å; T129-S132 PolarHBondContact O-N 3.48Å; S132-W136 WeakPolarHBondContact O-CB 3.24Å; S132-W136 PolarHBondContact O-N 2.68Å |
| 133 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L76 W111 L112 L115 T129 L130 E131 W136 S137 | L76-A133 HydrophobicContact CD1-CB 3.54Å; L76-A133 HydrophobicContact CD2-CB 3.75Å; L76-A133 HydrophobicContact CG-CB 4.28Å; W111-A133 HydrophobicContact CH2-CB 4.03Å; W111-A133 HydrophobicContact CZ3-CB 3.81Å; L112-A133 HydrophobicContact CD2-CB 3.77Å; L115-A133 HydrophobicContact CD2-CB 3.62Å; T129-A133 WeakPolarHBondContact O-CB 3.21Å; T129-A133 PolarHBondContact O-N 2.98Å; L130-A133 PolarHBondContact O-N 2.87Å; E131-A133 VanDerWaalsContact C-N 3.29Å; E131-A133 PolarHBondContact O-N 3.49Å; A133-W136 PolarHBondContact O-N 3.04Å; A133-S137 VanDerWaalsContact O-CB 3.31Å; A133-S137 WeakPolarHBondContact O-CB 3.4Å; A133-S137 PolarHBondContact O-N 3Å; A133-S137 PolarHBondContact O-OG 3.25Å; A133-S137 VanDerWaalsContact O-OG 3.09Å |
| 134 | F | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57 | -53.2 | 176.5 | 168.3 | -99.6 | 0 | 0 | 0 | 111.8 | L60 L61 Y64 M72 L130 E131 W136 S137 L138 | L60-F134 HydrophobicContact CB-CD2 4.14Å; L60-F134 HydrophobicContact CB-CE2 4.03Å; L60-F134 HydrophobicContact CD2-CD2 4.34Å; L61-F134 HydrophobicContact CD2-CZ 4.28Å; Y64-F134 HydrophobicContact CD1-CZ 4.15Å; Y64-F134 AromaticContact CD2-CD1 3.84Å; Y64-F134 HydrophobicContact CD2-CD1 3.84Å; Y64-F134 HydrophobicContact CD2-CD2 4.49Å; Y64-F134 AromaticContact CD2-CE1 3.43Å; Y64-F134 HydrophobicContact CD2-CE1 3.43Å; Y64-F134 VanDerWaalsContact CD2-CE1 3.43Å; Y64-F134 HydrophobicContact CD2-CE2 4.14Å; Y64-F134 HydrophobicContact CD2-CG 4.35Å; Y64-F134 AromaticContact CD2-CZ 3.59Å; Y64-F134 HydrophobicContact CD2-CZ 3.59Å; Y64-F134 HydrophobicContact CE2-CD1 4.19Å; Y64-F134 AromaticContact CE2-CE1 3.7Å; Y64-F134 HydrophobicContact CE2-CE1 3.7Å; Y64-F134 HydrophobicContact CE2-CZ 4.22Å; Y64-F134 AromaticContact CG-CE1 3.9Å; Y64-F134 HydrophobicContact CG-CE1 3.9Å; Y64-F134 HydrophobicContact CG-CE2 4Å; Y64-F134 AromaticContact CG-CZ 3.55Å; Y64-F134 HydrophobicContact CG-CZ 3.55Å; M72-F134 HydrophobicContact CE-CB 3.98Å; M72-F134 HydrophobicContact CE-CD2 3.57Å; M72-F134 HydrophobicContact CE-CE2 4.28Å; M72-F134 HydrophobicContact CE-CG 3.85Å; M72-F134 HydrophobicContact SD-CB 3.85Å; M72-F134 HydrophobicContact SD-CD2 3.91Å; M72-F134 HydrophobicContact SD-CG 4.23Å; L130-F134 WeakPolarHBondContact O-CB 3.27Å; L130-F134 PolarHBondContact O-N 3.37Å; E131-F134 WeakPolarHBondContact O-CB 3.15Å; E131-F134 PolarHBondContact O-N 3.43Å; F134-W136 VanDerWaalsContact C-N 3.33Å; F134-W136 PolarHBondContact O-N 3.24Å; F134-S137 PolarHBondContact O-N 3.27Å; F134-L138 HydrophobicContact CE1-CD2 4.23Å; F134-L138 HydrophobicContact CZ-CD2 3.96Å; F134-L138 WeakPolarHBondContact O-CB 3.35Å; F134-L138 PolarHBondContact O-N 2.9Å |
| 135 | W | 97.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 31% | 0.307 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | -178.1 | -71.4 | 119 | 0 | 0 | 0 | 112.4 | C26 L31 Y64 E131 L138 K139 | C26-W135 HydrophobicContact CB-CZ3 4.05Å; L31-W135 HydrophobicContact CD1-CH2 4.1Å; L31-W135 HydrophobicContact CD1-CZ3 4.08Å; Y64-W135 HydrophobicContact CE2-CZ2 4.08Å; E131-W135 PolarHBondContact O-N 3.47Å; E131-W135 PolarHBondContact OE1-NE1 3.44Å; W135-L138 HydrophobicContact CE3-CD2 4.14Å; W135-L138 HydrophobicContact CZ3-CD2 3.94Å; W135-K139 WeakPolarHBondContact O-CB 3.45Å; W135-K139 PolarHBondContact O-N 3.5Å |
| 136 | W | 96.6 | Very high | 95.6 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 30% | 0.303 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -49 | 173.8 | -169.1 | 98.9 | 0 | 0 | 0 | 111.3 | F79 L108 P109 W111 L112 S132 A133 F134 L138 K139 Y140 | F79-W136 HydrophobicContact CE1-CZ3 4.41Å; F79-W136 HydrophobicContact CZ-CZ3 4.35Å; L108-W136 HydrophobicContact CD2-CH2 3.74Å; L108-W136 HydrophobicContact CD2-CZ3 3.68Å; P109-W136 HydrophobicContact CG-CD2 4.34Å; P109-W136 HydrophobicContact CG-CH2 4.19Å; P109-W136 HydrophobicContact CG-CZ2 3.78Å; W111-W136 HydrophobicContact CH2-CB 4.32Å; W111-W136 HydrophobicContact CZ2-CB 4.2Å; W111-W136 HydrophobicContact CZ2-CG 4.04Å; L112-W136 HydrophobicContact CD1-CD2 3.84Å; L112-W136 HydrophobicContact CD1-CE3 3.21Å; L112-W136 HydrophobicContact CD1-CH2 4.31Å; L112-W136 HydrophobicContact CD1-CZ3 3.49Å; L112-W136 VanDerWaalsContact CD1-CZ3 3.49Å; S132-W136 WeakPolarHBondContact O-CB 3.24Å; S132-W136 PolarHBondContact O-N 2.68Å; A133-W136 PolarHBondContact O-N 3.04Å; F134-W136 VanDerWaalsContact C-N 3.33Å; F134-W136 PolarHBondContact O-N 3.24Å; W136-L138 PolarHBondContact O-N 2.9Å; W136-K139 PolarHBondContact O-N 3.33Å; W136-Y140 AromaticContact CH2-CD2 3.51Å; W136-Y140 HydrophobicContact CH2-CD2 3.51Å; W136-Y140 HydrophobicContact CH2-CE2 4.23Å; W136-Y140 HydrophobicContact CH2-CG 4.01Å; W136-Y140 HydrophobicContact CZ2-CD2 4.37Å; W136-Y140 AromaticContact CZ3-CD2 3.89Å; W136-Y140 HydrophobicContact CZ3-CD2 3.89Å; W136-Y140 AromaticContact CZ3-CG 3.89Å; W136-Y140 HydrophobicContact CZ3-CG 3.89Å; W136-Y140 PolarHBondContact O-N 2.96Å |
| 137 | S | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 179.5 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | F79 A133 F134 Y140 L141 | F79-S137 WeakPolarHBondContact CD1-OG 3.28Å; F79-S137 WeakPolarHBondContact CE1-OG 3.48Å; F79-S137 WeakPolarHBondContact CZ-OG 3.45Å; A133-S137 VanDerWaalsContact O-CB 3.31Å; A133-S137 WeakPolarHBondContact O-CB 3.4Å; A133-S137 PolarHBondContact O-N 3Å; A133-S137 PolarHBondContact O-OG 3.25Å; A133-S137 VanDerWaalsContact O-OG 3.09Å; F134-S137 PolarHBondContact O-N 3.27Å; S137-Y140 PolarHBondContact O-N 3.5Å; S137-L141 WeakPolarHBondContact O-CG 3.48Å; S137-L141 PolarHBondContact O-N 2.95Å |
| 138 | L | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.5 | -168.7 | 66.2 | 0 | 0 | 0 | 111.3 | I23 L31 L61 F134 W135 W136 L141 S142 | I23-L138 HydrophobicContact CG2-CD1 3.9Å; I23-L138 HydrophobicContact CG2-CG 4.4Å; L31-L138 HydrophobicContact CD1-CD2 3.87Å; L31-L138 HydrophobicContact CD2-CD2 3.93Å; L61-L138 HydrophobicContact CD2-CD1 4.45Å; F134-L138 HydrophobicContact CE1-CD2 4.23Å; F134-L138 HydrophobicContact CZ-CD2 3.96Å; F134-L138 WeakPolarHBondContact O-CB 3.35Å; F134-L138 PolarHBondContact O-N 2.9Å; W135-L138 HydrophobicContact CE3-CD2 4.14Å; W135-L138 HydrophobicContact CZ3-CD2 3.94Å; W136-L138 PolarHBondContact O-N 2.9Å; L138-L141 PolarHBondContact O-N 2.83Å; L138-S142 PolarHBondContact O-N 3.26Å |
| 139 | K | 94.8 | Very high | 94.8 | Very high | 142 Ų | 142 | 45.2 Ų | 45.2 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.1 | -43.6 | 173.7 | -176.5 | 177.4 | 179.5 | 178.9 | 0 | 111.6 | W135 W136 L141 S142 | W135-K139 WeakPolarHBondContact O-CB 3.45Å; W135-K139 PolarHBondContact O-N 3.5Å; W136-K139 PolarHBondContact O-N 3.33Å; K139-L141 VanDerWaalsContact C-N 3.32Å; K139-L141 PolarHBondContact O-N 2.66Å; K139-S142 WeakPolarHBondContact O-CB 3.48Å; K139-S142 PolarHBondContact O-N 3.16Å; K139-S142 VanDerWaalsContact O-N 3.14Å; K139-S142 PolarHBondContact O-OG 3.31Å |
| 140 | Y | 92.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -44 | 174.4 | -178.5 | -87.4 | 0 | 0 | 0 | 111.7 | F79 L83 A106 L108 W136 S137 S142 E143 | F79-Y140 HydrophobicContact CE2-CD1 4.43Å; F79-Y140 HydrophobicContact CZ-CD1 4.08Å; L83-Y140 HydrophobicContact CD1-CD1 3.96Å; L83-Y140 HydrophobicContact CD1-CE1 3.67Å; L83-Y140 HydrophobicContact CD2-CE1 4.41Å; A106-Y140 PolarHBondContact O-OH 3.46Å; L108-Y140 HydrophobicContact CD2-CD2 4.37Å; L108-Y140 HydrophobicContact CD2-CE1 4.44Å; L108-Y140 HydrophobicContact CD2-CE2 4.09Å; W136-Y140 AromaticContact CH2-CD2 3.51Å; W136-Y140 HydrophobicContact CH2-CD2 3.51Å; W136-Y140 HydrophobicContact CH2-CE2 4.23Å; W136-Y140 HydrophobicContact CH2-CG 4.01Å; W136-Y140 HydrophobicContact CZ2-CD2 4.37Å; W136-Y140 AromaticContact CZ3-CD2 3.89Å; W136-Y140 HydrophobicContact CZ3-CD2 3.89Å; W136-Y140 AromaticContact CZ3-CG 3.89Å; W136-Y140 HydrophobicContact CZ3-CG 3.89Å; W136-Y140 PolarHBondContact O-N 2.96Å; S137-Y140 PolarHBondContact O-N 3.5Å; Y140-S142 VanDerWaalsContact C-N 3.27Å; Y140-S142 PolarHBondContact O-N 2.86Å; Y140-E143 PolarHBondContact O-N 3.38Å |
| 141 | L | 94 | Very high | 94 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -27.2 | 176.8 | -69.5 | 166.1 | 0 | 0 | 0 | 112.8 | C56 L60 F79 S137 L138 K139 E143 F144 W145 | C56-L141 HydrophobicContact CB-CD1 4.3Å; L60-L141 HydrophobicContact CD1-CD1 3.64Å; F79-L141 HydrophobicContact CD2-CD1 4.09Å; F79-L141 HydrophobicContact CE2-CD1 3.85Å; F79-L141 HydrophobicContact CE2-CD2 4.19Å; F79-L141 HydrophobicContact CE2-CG 3.87Å; S137-L141 WeakPolarHBondContact O-CG 3.48Å; S137-L141 PolarHBondContact O-N 2.95Å; L138-L141 PolarHBondContact O-N 2.83Å; K139-L141 VanDerWaalsContact C-N 3.32Å; K139-L141 PolarHBondContact O-N 2.66Å; L141-E143 PolarHBondContact O-N 3.3Å; L141-F144 WeakPolarHBondContact O-CB 3.02Å; L141-F144 PolarHBondContact O-N 3.11Å; L141-F144 VanDerWaalsContact O-N 3.1Å; L141-W145 PolarHBondContact O-N 3.09Å |
| 142 | S | 93.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.9 | -33 | 177.2 | 78.9 | 0 | 0 | 0 | 0 | 112.6 | L138 K139 Y140 W145 A146 | L138-S142 PolarHBondContact O-N 3.26Å; K139-S142 WeakPolarHBondContact O-CB 3.48Å; K139-S142 PolarHBondContact O-N 3.16Å; K139-S142 VanDerWaalsContact O-N 3.14Å; K139-S142 PolarHBondContact O-OG 3.31Å; Y140-S142 VanDerWaalsContact C-N 3.27Å; Y140-S142 PolarHBondContact O-N 2.86Å; S142-W145 PolarHBondContact O-N 3.08Å; S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 3.47Å |
| 143 | E | 90 | Very high | 93.2 | Very high | 122 Ų | 122 | 51.6 Ų | 51.6 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -68.1 | -39.6 | 175.8 | -65.3 | 179.5 | -175.7 | 0 | 0 | 111.9 | Y140 L141 S147 | Y140-E143 PolarHBondContact O-N 3.38Å; L141-E143 PolarHBondContact O-N 3.3Å; E143-S147 WeakPolarHBondContact O-CB 3.34Å; E143-S147 PolarHBondContact O-N 3.47Å; E143-S147 PolarHBondContact O-OG 3.22Å |
| 144 | F | 91 | Very high | 92.8 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 171.5 | 161.5 | -90.4 | 0 | 0 | 0 | 110.6 | P51 S53 I54 L141 S147 N148 | P51-F144 HydrophobicContact CB-CZ 4.39Å; S53-F144 VanDerWaalsContact CB-CD1 3.49Å; S53-F144 WeakPolarHBondContact OG-CD2 3.22Å; I54-F144 HydrophobicContact CG1-CE1 4.08Å; I54-F144 HydrophobicContact CG1-CZ 4.33Å; L141-F144 WeakPolarHBondContact O-CB 3.02Å; L141-F144 PolarHBondContact O-N 3.11Å; L141-F144 VanDerWaalsContact O-N 3.1Å; F144-S147 PolarHBondContact O-N 2.93Å; F144-N148 VanDerWaalsContact CD2-ND2 3.33Å; F144-N148 WeakPolarHBondContact CD2-ND2 3.26Å; F144-N148 WeakPolarHBondContact CE2-ND2 3.26Å; F144-N148 PolarHBondContact O-N 3.09Å; F144-N148 PolarHBondContact O-ND2 3.33Å |
| 145 | W | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -52.1 | -179.2 | -73 | 109.1 | 0 | 0 | 0 | 111.4 | F16 V19 A20 I38 W41 I54 T57 L141 S142 S147 N148 V149 | F16-W145 HydrophobicContact CD2-CZ3 4.02Å; F16-W145 HydrophobicContact CE1-CE3 4.05Å; F16-W145 HydrophobicContact CE1-CZ3 4.41Å; F16-W145 AromaticContact CE2-CE3 3.86Å; F16-W145 HydrophobicContact CE2-CE3 3.86Å; F16-W145 AromaticContact CE2-CZ3 3.46Å; F16-W145 HydrophobicContact CE2-CZ3 3.46Å; F16-W145 VanDerWaalsContact CE2-CZ3 3.46Å; F16-W145 AromaticContact CZ-CE3 3.55Å; F16-W145 HydrophobicContact CZ-CE3 3.55Å; F16-W145 AromaticContact CZ-CZ3 3.69Å; F16-W145 HydrophobicContact CZ-CZ3 3.69Å; V19-W145 HydrophobicContact CB-CZ3 4.49Å; V19-W145 HydrophobicContact CG1-CE3 4.47Å; V19-W145 HydrophobicContact CG1-CH2 3.71Å; V19-W145 HydrophobicContact CG1-CZ2 4.29Å; V19-W145 HydrophobicContact CG1-CZ3 3.83Å; A20-W145 HydrophobicContact CB-CB 3.83Å; A20-W145 HydrophobicContact CB-CE3 4.09Å; A20-W145 HydrophobicContact CB-CG 4.48Å; I38-W145 HydrophobicContact CD1-CH2 4.19Å; I38-W145 HydrophobicContact CD1-CZ2 4.03Å; I38-W145 HydrophobicContact CG1-CH2 4.48Å; W41-W145 HydrophobicContact CH2-CH2 4.33Å; W41-W145 HydrophobicContact CH2-CZ3 4.18Å; W41-W145 AromaticContact CZ3-CH2 3.75Å; W41-W145 HydrophobicContact CZ3-CH2 3.75Å; W41-W145 AromaticContact CZ3-CZ3 3.97Å; W41-W145 HydrophobicContact CZ3-CZ3 3.97Å; I54-W145 HydrophobicContact CB-CH2 4.28Å; I54-W145 HydrophobicContact CB-CZ2 4.35Å; I54-W145 HydrophobicContact CD1-CH2 4.07Å; I54-W145 HydrophobicContact CD1-CZ3 4.4Å; I54-W145 HydrophobicContact CG1-CH2 3.65Å; I54-W145 HydrophobicContact CG1-CZ2 3.94Å; I54-W145 HydrophobicContact CG1-CZ3 4.3Å; I54-W145 HydrophobicContact CG2-CH2 4.11Å; I54-W145 HydrophobicContact CG2-CZ2 4.41Å; T57-W145 HydrophobicContact CG2-CZ2 4.1Å; T57-W145 PolarHBondContact OG1-NE1 3.47Å; T57-W145 VanDerWaalsContact OG1-NE1 3.08Å; L141-W145 PolarHBondContact O-N 3.09Å; S142-W145 PolarHBondContact O-N 3.08Å; W145-S147 VanDerWaalsContact C-N 3.33Å; W145-S147 PolarHBondContact O-N 3.26Å; W145-N148 PolarHBondContact O-N 3.18Å; W145-V149 WeakPolarHBondContact O-CG2 3.31Å; W145-V149 PolarHBondContact O-N 3.06Å |
| 146 | A | 92 | Very high | 91.7 | Very high | 38 Ų | 38 | 63.8 Ų | 63.8 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S142 N148 V149 N150 | S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 3.47Å; A146-N148 PolarHBondContact O-N 3.48Å; A146-V149 PolarHBondContact O-N 2.95Å; A146-N150 PolarHBondContact O-N 3.16Å |
| 147 | S | 90.3 | Very high | 91.4 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 179.3 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | E143 F144 W145 Y151 | E143-S147 WeakPolarHBondContact O-CB 3.34Å; E143-S147 PolarHBondContact O-N 3.47Å; E143-S147 PolarHBondContact O-OG 3.22Å; F144-S147 PolarHBondContact O-N 2.93Å; W145-S147 VanDerWaalsContact C-N 3.33Å; W145-S147 PolarHBondContact O-N 3.26Å; S147-Y151 VanDerWaalsContact O-CB 3.25Å; S147-Y151 WeakPolarHBondContact O-CB 3.37Å; S147-Y151 PolarHBondContact O-N 3.04Å |
| 148 | N | 90.7 | Very high | 91 | Very high | 43 Ų | 43 | 72 Ų | 72 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.9 | -32.3 | 175.7 | -80.2 | -97.1 | 0 | 0 | 0 | 112.3 | F16 F144 W145 A146 N152 | F16-N148 HydrophobicContact CE1-CB 3.69Å; F16-N148 HydrophobicContact CZ-CB 3.62Å; F144-N148 VanDerWaalsContact CD2-ND2 3.33Å; F144-N148 WeakPolarHBondContact CD2-ND2 3.26Å; F144-N148 WeakPolarHBondContact CE2-ND2 3.26Å; F144-N148 PolarHBondContact O-N 3.09Å; F144-N148 PolarHBondContact O-ND2 3.33Å; W145-N148 PolarHBondContact O-N 3.18Å; A146-N148 PolarHBondContact O-N 3.48Å; N148-N152 WeakPolarHBondContact O-CB 3.4Å; N148-N152 PolarHBondContact O-N 2.9Å; N148-N152 PolarHBondContact O-ND2 3.49Å |
| 149 | V | 92.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -55.9 | 170.5 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | F16 A20 W145 A146 Y151 N152 E153 | F16-V149 HydrophobicContact CD1-CG2 3.97Å; F16-V149 HydrophobicContact CE1-CG2 3.93Å; A20-V149 HydrophobicContact CB-CG2 3.42Å; A20-V149 VanDerWaalsContact CB-CG2 3.42Å; W145-V149 WeakPolarHBondContact O-CG2 3.31Å; W145-V149 PolarHBondContact O-N 3.06Å; A146-V149 PolarHBondContact O-N 2.95Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 3.19Å; V149-N152 PolarHBondContact O-N 3.46Å; V149-E153 HydrophobicContact CG1-CG 4.31Å; V149-E153 WeakPolarHBondContact O-CG 3.41Å; V149-E153 PolarHBondContact O-N 3Å |
| 150 | N | 90.8 | Very high | 90 | Very high | 88 Ų | 88 | 74.2 Ų | 74.2 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | -180 | -66.8 | -9 | 0 | 0 | 0 | 111.7 | A146 N152 E153 E154 | A146-N150 PolarHBondContact O-N 3.16Å; N150-N152 VanDerWaalsContact C-N 3.34Å; N150-N152 PolarHBondContact O-N 3.23Å; N150-E153 PolarHBondContact O-N 3.27Å; N150-E154 WeakPolarHBondContact O-CB 2.88Å; N150-E154 WeakPolarHBondContact O-CG 3.09Å; N150-E154 PolarHBondContact O-N 3.45Å |
| 151 | Y | 87.9 | Confident | 89.8 | Confident | 121 Ų | 121 | 72.9 Ų | 72.9 | 48% | 0.475 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 176.6 | 176.9 | -95.1 | 0 | 0 | 0 | 112.6 | S147 V149 R155 | S147-Y151 VanDerWaalsContact O-CB 3.25Å; S147-Y151 WeakPolarHBondContact O-CB 3.37Å; S147-Y151 PolarHBondContact O-N 3.04Å; V149-Y151 VanDerWaalsContact C-N 3.31Å; V149-Y151 PolarHBondContact O-N 3.19Å; Y151-R155 HydrophobicContact CD1-CG 4.34Å; Y151-R155 HydrophobicContact CE1-CG 3.92Å; Y151-R155 HydrophobicContact CE2-CG 4.29Å; Y151-R155 WeakPolarHBondContact O-CB 3.1Å; Y151-R155 WeakPolarHBondContact O-CG 3.37Å; Y151-R155 PolarHBondContact O-N 3.31Å |
| 152 | N | 87.8 | Confident | 89.4 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 178.5 | -71.7 | -31.6 | 0 | 0 | 0 | 111.4 | N148 V149 N150 R155 I156 | N148-N152 WeakPolarHBondContact O-CB 3.4Å; N148-N152 PolarHBondContact O-N 2.9Å; N148-N152 PolarHBondContact O-ND2 3.49Å; V149-N152 PolarHBondContact O-N 3.46Å; N150-N152 VanDerWaalsContact C-N 3.34Å; N150-N152 PolarHBondContact O-N 3.23Å; N152-R155 PolarHBondContact O-N 2.81Å; N152-I156 WeakPolarHBondContact O-CB 3.34Å; N152-I156 WeakPolarHBondContact O-CD1 3.42Å; N152-I156 WeakPolarHBondContact O-CG1 3.34Å; N152-I156 PolarHBondContact O-N 2.91Å |
| 153 | E | 90.6 | Very high | 89 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 177.1 | -72.8 | -179.6 | 173.3 | 0 | 0 | 111.9 | V149 N150 R155 I156 F157 | V149-E153 HydrophobicContact CG1-CG 4.31Å; V149-E153 WeakPolarHBondContact O-CG 3.41Å; V149-E153 PolarHBondContact O-N 3Å; N150-E153 PolarHBondContact O-N 3.27Å; E153-R155 PolarHBondContact O-N 3.23Å; E153-I156 PolarHBondContact O-N 3.36Å; E153-F157 WeakPolarHBondContact O-CB 3.28Å; E153-F157 PolarHBondContact O-N 3.48Å |
| 154 | E | 89.1 | Confident | 88.8 | Confident | 121 Ų | 121 | 80 Ų | 80 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.3 | -46.4 | 174.8 | -73.9 | 175.4 | -178.8 | 0 | 0 | 111.3 | N150 I156 F157 E158 | N150-E154 WeakPolarHBondContact O-CB 2.88Å; N150-E154 WeakPolarHBondContact O-CG 3.09Å; N150-E154 PolarHBondContact O-N 3.45Å; E154-I156 PolarHBondContact O-N 3.27Å; E154-F157 PolarHBondContact O-N 2.96Å; E154-E158 WeakPolarHBondContact O-CB 3.17Å; E154-E158 VanDerWaalsContact O-CG 3.3Å; E154-E158 WeakPolarHBondContact O-CG 3.33Å; E154-E158 PolarHBondContact O-N 2.98Å |
| 155 | R | 86.2 | Confident | 88.6 | Confident | 125 Ų | 125 | 81.5 Ų | 81.5 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.1 | -77 | -83.7 | 98.9 | 129.5 | 3 | 112.7 | Y151 N152 E153 E158 L159 | Y151-R155 HydrophobicContact CD1-CG 4.34Å; Y151-R155 HydrophobicContact CE1-CG 3.92Å; Y151-R155 HydrophobicContact CE2-CG 4.29Å; Y151-R155 WeakPolarHBondContact O-CB 3.1Å; Y151-R155 WeakPolarHBondContact O-CG 3.37Å; Y151-R155 PolarHBondContact O-N 3.31Å; N152-R155 PolarHBondContact O-N 2.81Å; E153-R155 PolarHBondContact O-N 3.23Å; R155-E158 IonicContact CZ-OE2 2.8Å; R155-E158 IonicContact NE-OE2 2.8Å; R155-E158 PolarHBondContact NE-OE2 3.37Å; R155-E158 IonicContact NH2-OE1 3.94Å; R155-E158 PolarHBondContact NH2-OE1 2.97Å; R155-E158 IonicContact NH2-OE2 3.08Å; R155-E158 PolarHBondContact NH2-OE2 3.18Å; R155-L159 VanDerWaalsContact O-CB 3.28Å; R155-L159 WeakPolarHBondContact O-CB 3.45Å; R155-L159 PolarHBondContact O-N 2.95Å |
| 156 | I | 87.6 | Confident | 88.1 | Confident | 91 Ų | 91 | 82.2 Ų | 82.2 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 176.4 | -72.3 | 165.1 | 0 | 0 | 0 | 109.8 | A13 N152 E153 E154 L159 D160 | A13-I156 HydrophobicContact CB-CD1 3.68Å; N152-I156 WeakPolarHBondContact O-CB 3.34Å; N152-I156 WeakPolarHBondContact O-CD1 3.42Å; N152-I156 WeakPolarHBondContact O-CG1 3.34Å; N152-I156 PolarHBondContact O-N 2.91Å; E153-I156 PolarHBondContact O-N 3.36Å; E154-I156 PolarHBondContact O-N 3.27Å; I156-L159 PolarHBondContact O-N 3.42Å; I156-D160 WeakPolarHBondContact O-CB 3.4Å; I156-D160 PolarHBondContact O-N 3.16Å |
| 157 | F | 89.6 | Confident | 87.8 | Confident | 158 Ų | 158 | 81.6 Ų | 81.6 | 69% | 0.693 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 178 | -179.3 | -95.3 | 0 | 0 | 0 | 112.2 | E153 E154 L159 D160 G161 | E153-F157 WeakPolarHBondContact O-CB 3.28Å; E153-F157 PolarHBondContact O-N 3.48Å; E154-F157 PolarHBondContact O-N 2.96Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-L159 PolarHBondContact O-N 3.08Å; F157-D160 PolarHBondContact O-N 2.55Å; F157-G161 PolarHBondContact O-N 3.24Å |
| 158 | E | 87.4 | Confident | 87.6 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174 | -73.9 | 174.4 | 161.7 | 0 | 0 | 111.9 | E154 R155 G161 F162 | E154-E158 WeakPolarHBondContact O-CB 3.17Å; E154-E158 VanDerWaalsContact O-CG 3.3Å; E154-E158 WeakPolarHBondContact O-CG 3.33Å; E154-E158 PolarHBondContact O-N 2.98Å; R155-E158 IonicContact CZ-OE2 2.8Å; R155-E158 IonicContact NE-OE2 2.8Å; R155-E158 PolarHBondContact NE-OE2 3.37Å; R155-E158 IonicContact NH2-OE1 3.94Å; R155-E158 PolarHBondContact NH2-OE1 2.97Å; R155-E158 IonicContact NH2-OE2 3.08Å; R155-E158 PolarHBondContact NH2-OE2 3.18Å; E158-G161 PolarHBondContact O-N 2.81Å; E158-F162 VanDerWaalsContact O-CB 3.27Å; E158-F162 WeakPolarHBondContact O-CB 3.37Å; E158-F162 PolarHBondContact O-N 3.5Å |
| 159 | L | 84.7 | Confident | 87.4 | Confident | 92 Ų | 92 | 82.7 Ų | 82.7 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 178.1 | -177 | 63.5 | 0 | 0 | 0 | 111.7 | R155 I156 F157 F162 L163 | R155-L159 VanDerWaalsContact O-CB 3.28Å; R155-L159 WeakPolarHBondContact O-CB 3.45Å; R155-L159 PolarHBondContact O-N 2.95Å; I156-L159 PolarHBondContact O-N 3.42Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-L159 PolarHBondContact O-N 3.08Å; L159-F162 PolarHBondContact O-N 3.08Å; L159-L163 HydrophobicContact CD1-CD1 4.42Å; L159-L163 HydrophobicContact CD1-CG 4.39Å; L159-L163 HydrophobicContact CG-CD1 4.05Å; L159-L163 HydrophobicContact CG-CG 4.45Å; L159-L163 WeakPolarHBondContact O-CB 3.48Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 3.22Å |
| 160 | D | 86.9 | Confident | 87.2 | Confident | 96 Ų | 96 | 82.2 Ų | 82.2 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.4 | -177.4 | 68.4 | 0 | 0 | 0 | 111.2 | I156 F157 F162 L163 K164 | I156-D160 WeakPolarHBondContact O-CB 3.4Å; I156-D160 PolarHBondContact O-N 3.16Å; F157-D160 PolarHBondContact O-N 2.55Å; D160-F162 VanDerWaalsContact C-N 3.31Å; D160-F162 PolarHBondContact O-N 2.76Å; D160-L163 PolarHBondContact O-N 3.09Å; D160-K164 VanDerWaalsContact O-CB 3.31Å; D160-K164 WeakPolarHBondContact O-CB 3.1Å; D160-K164 PolarHBondContact O-N 3.23Å |
| 161 | G | 88.2 | Confident | 87 | Confident | 37 Ų | 37 | 79.6 Ų | 79.6 | 38% | 0.381 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F157 E158 K164 C165 | F157-G161 PolarHBondContact O-N 3.24Å; E158-G161 PolarHBondContact O-N 2.81Å; G161-K164 PolarHBondContact O-N 3.09Å; G161-C165 WeakPolarHBondContact O-CB 3.49Å; G161-C165 PolarHBondContact O-N 2.68Å |
| 162 | F | 85.2 | Confident | 87.1 | Confident | 100 Ų | 100 | 79.6 Ų | 79.6 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.4 | -48 | 175.5 | 179.6 | -110.4 | 0 | 0 | 0 | 112.2 | E158 L159 D160 K164 C165 Q166 S196 | E158-F162 VanDerWaalsContact O-CB 3.27Å; E158-F162 WeakPolarHBondContact O-CB 3.37Å; E158-F162 PolarHBondContact O-N 3.5Å; L159-F162 PolarHBondContact O-N 3.08Å; D160-F162 VanDerWaalsContact C-N 3.31Å; D160-F162 PolarHBondContact O-N 2.76Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.84Å; F162-C165 PolarHBondContact O-N 2.6Å; F162-Q166 HydrophobicContact CD1-CG 4.44Å; F162-Q166 HydrophobicContact CD2-CG 4.47Å; F162-Q166 VanDerWaalsContact CE1-CD 3.43Å; F162-Q166 HydrophobicContact CE1-CG 4.23Å; F162-Q166 HydrophobicContact CE2-CG 4.22Å; F162-Q166 HydrophobicContact CZ-CG 4.13Å; F162-Q166 WeakPolarHBondContact O-CB 3.49Å; F162-Q166 WeakPolarHBondContact O-CG 3.2Å; F162-Q166 PolarHBondContact O-N 3.3Å; F162-S196 VanDerWaalsContact CE1-OG 3.23Å; F162-S196 WeakPolarHBondContact CE1-OG 3.4Å |
| 163 | L | 85.4 | Confident | 87.1 | Confident | 44 Ų | 44 | 78.2 Ų | 78.2 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.4 | -78.4 | 171.4 | 0 | 0 | 0 | 112 | L159 D160 Q166 S167 A199 | L159-L163 HydrophobicContact CD1-CD1 4.42Å; L159-L163 HydrophobicContact CD1-CG 4.39Å; L159-L163 HydrophobicContact CG-CD1 4.05Å; L159-L163 HydrophobicContact CG-CG 4.45Å; L159-L163 WeakPolarHBondContact O-CB 3.48Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 3.22Å; D160-L163 PolarHBondContact O-N 3.09Å; L163-Q166 PolarHBondContact O-N 3.15Å; L163-S167 WeakPolarHBondContact O-CB 3.34Å; L163-S167 PolarHBondContact O-N 3.19Å; L163-A199 HydrophobicContact CD2-CB 3.7Å |
| 164 | K | 86.4 | Confident | 87.2 | Confident | 151 Ų | 151 | 73.1 Ų | 73.1 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 176.7 | -172 | 175.2 | -177 | 175.5 | 0 | 112 | D160 G161 F162 S167 L168 | D160-K164 VanDerWaalsContact O-CB 3.31Å; D160-K164 WeakPolarHBondContact O-CB 3.1Å; D160-K164 PolarHBondContact O-N 3.23Å; G161-K164 PolarHBondContact O-N 3.09Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.84Å; K164-S167 PolarHBondContact O-N 3.33Å; K164-L168 PolarHBondContact O-N 3.34Å |
| 165 | C | 86.1 | Confident | 87.3 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 53% | 0.534 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 176.3 | -173 | 0 | 0 | 0 | 0 | 111.9 | G161 F162 S167 L168 T169 | G161-C165 WeakPolarHBondContact O-CB 3.49Å; G161-C165 PolarHBondContact O-N 2.68Å; F162-C165 PolarHBondContact O-N 2.6Å; C165-S167 PolarHBondContact O-N 3.21Å; C165-L168 PolarHBondContact O-N 3.44Å; C165-T169 WeakPolarHBondContact O-CB 3.09Å; C165-T169 PolarHBondContact O-N 3.46Å; C165-T169 PolarHBondContact O-OG1 2.75Å |
| 166 | Q | 85.2 | Confident | 87.5 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 174.8 | -75.9 | -165.8 | -22.3 | 0 | 0 | 111.4 | F162 L163 L168 T169 L170 S194 S196 | F162-Q166 HydrophobicContact CD1-CG 4.44Å; F162-Q166 HydrophobicContact CD2-CG 4.47Å; F162-Q166 VanDerWaalsContact CE1-CD 3.43Å; F162-Q166 HydrophobicContact CE1-CG 4.23Å; F162-Q166 HydrophobicContact CE2-CG 4.22Å; F162-Q166 HydrophobicContact CZ-CG 4.13Å; F162-Q166 WeakPolarHBondContact O-CB 3.49Å; F162-Q166 WeakPolarHBondContact O-CG 3.2Å; F162-Q166 PolarHBondContact O-N 3.3Å; L163-Q166 PolarHBondContact O-N 3.15Å; Q166-L168 PolarHBondContact O-N 2.78Å; Q166-T169 PolarHBondContact O-N 3.08Å; Q166-L170 WeakPolarHBondContact O-CB 3.42Å; Q166-L170 WeakPolarHBondContact O-CD1 3.41Å; Q166-L170 WeakPolarHBondContact O-CG 3.39Å; Q166-L170 PolarHBondContact O-N 3.17Å; Q166-S194 PolarHBondContact NE2-OG 2.9Å; Q166-S196 PolarHBondContact NE2-OG 3.46Å; Q166-S196 PolarHBondContact OE1-OG 2.9Å |
| 167 | S | 85.6 | Confident | 87.7 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.6 | -48.5 | 176.7 | 169.3 | 0 | 0 | 0 | 0 | 112.3 | L163 K164 C165 T169 L170 T171 L203 | L163-S167 WeakPolarHBondContact O-CB 3.34Å; L163-S167 PolarHBondContact O-N 3.19Å; K164-S167 PolarHBondContact O-N 3.33Å; C165-S167 PolarHBondContact O-N 3.21Å; S167-T169 VanDerWaalsContact C-N 3.33Å; S167-T169 PolarHBondContact O-N 3.26Å; S167-L170 PolarHBondContact O-N 3.31Å; S167-T171 WeakPolarHBondContact O-CB 3.43Å; S167-T171 PolarHBondContact O-N 3.35Å; S167-T171 PolarHBondContact O-OG1 3.14Å; S167-L203 WeakPolarHBondContact OG-CD1 3.33Å |
| 168 | L | 85.9 | Confident | 87.9 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.8 | -177.3 | 64.3 | 0 | 0 | 0 | 111.6 | K164 C165 Q166 K172 | K164-L168 PolarHBondContact O-N 3.34Å; C165-L168 PolarHBondContact O-N 3.44Å; Q166-L168 PolarHBondContact O-N 2.78Å; L168-K172 HydrophobicContact CG-CD 4.42Å; L168-K172 WeakPolarHBondContact O-CG 3.41Å; L168-K172 PolarHBondContact O-N 2.85Å; L168-K172 VanDerWaalsContact O-N 3.07Å |
| 169 | T | 87 | Confident | 88.1 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | C165 Q166 S167 K172 Y173 L186 | C165-T169 WeakPolarHBondContact O-CB 3.09Å; C165-T169 PolarHBondContact O-N 3.46Å; C165-T169 PolarHBondContact O-OG1 2.75Å; Q166-T169 PolarHBondContact O-N 3.08Å; S167-T169 VanDerWaalsContact C-N 3.33Å; S167-T169 PolarHBondContact O-N 3.26Å; T169-K172 PolarHBondContact O-N 2.9Å; T169-Y173 WeakPolarHBondContact O-CB 3.44Å; T169-Y173 PolarHBondContact O-N 3.14Å; T169-L186 HydrophobicContact CG2-CD2 3.93Å |
| 170 | L | 87.5 | Confident | 88.2 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.2 | -84.6 | 154.2 | 0 | 0 | 0 | 112.3 | Q166 S167 Y173 I174 M188 V191 F192 C200 I204 | Q166-L170 WeakPolarHBondContact O-CB 3.42Å; Q166-L170 WeakPolarHBondContact O-CD1 3.41Å; Q166-L170 WeakPolarHBondContact O-CG 3.39Å; Q166-L170 PolarHBondContact O-N 3.17Å; S167-L170 PolarHBondContact O-N 3.31Å; L170-Y173 WeakPolarHBondContact O-CB 3.44Å; L170-Y173 PolarHBondContact O-N 3.06Å; L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.28Å; L170-M188 HydrophobicContact CD2-CE 3.22Å; L170-M188 HydrophobicContact CG-CE 3.77Å; L170-V191 HydrophobicContact CD1-CG1 3.64Å; L170-V191 HydrophobicContact CD2-CG1 4.02Å; L170-V191 HydrophobicContact CG-CG1 3.77Å; L170-F192 HydrophobicContact CD2-CE1 4.19Å; L170-F192 HydrophobicContact CD2-CE2 4.13Å; L170-F192 HydrophobicContact CD2-CZ 3.55Å; L170-C200 HydrophobicContact CD1-CB 3.53Å; L170-I204 HydrophobicContact CD2-CD1 4Å; L170-I204 HydrophobicContact CD2-CG1 4.19Å |
| 171 | T | 87.8 | Confident | 87.9 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 180 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | S167 Y173 I174 E175 A207 | S167-T171 WeakPolarHBondContact O-CB 3.43Å; S167-T171 PolarHBondContact O-N 3.35Å; S167-T171 PolarHBondContact O-OG1 3.14Å; T171-Y173 VanDerWaalsContact C-N 3.31Å; T171-Y173 PolarHBondContact O-N 3.25Å; T171-I174 PolarHBondContact O-N 2.9Å; T171-E175 WeakPolarHBondContact O-CB 3.49Å; T171-E175 WeakPolarHBondContact O-CG 3.39Å; T171-E175 PolarHBondContact O-N 3.31Å; T171-A207 HydrophobicContact CG2-CB 4.46Å |
| 172 | K | 88.4 | Confident | 86.9 | Confident | 121 Ų | 121 | 61.5 Ų | 61.5 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 175.8 | -73 | 177.3 | 177.6 | -178.7 | 0 | 112.5 | L168 T169 E175 S176 | L168-K172 HydrophobicContact CG-CD 4.42Å; L168-K172 WeakPolarHBondContact O-CG 3.41Å; L168-K172 PolarHBondContact O-N 2.85Å; L168-K172 VanDerWaalsContact O-N 3.07Å; T169-K172 PolarHBondContact O-N 2.9Å; K172-E175 PolarHBondContact O-N 2.86Å; K172-S176 WeakPolarHBondContact O-CB 3.35Å; K172-S176 PolarHBondContact O-N 3.07Å; K172-S176 PolarHBondContact O-OG 3.45Å |
| 173 | Y | 89.2 | Confident | 85.4 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 176.5 | 176.4 | -107.2 | 0 | 0 | 0 | 111.2 | T169 L170 T171 E175 S176 L177 L186 M188 L236 | T169-Y173 WeakPolarHBondContact O-CB 3.44Å; T169-Y173 PolarHBondContact O-N 3.14Å; L170-Y173 WeakPolarHBondContact O-CB 3.44Å; L170-Y173 PolarHBondContact O-N 3.06Å; T171-Y173 VanDerWaalsContact C-N 3.31Å; T171-Y173 PolarHBondContact O-N 3.25Å; Y173-E175 PolarHBondContact O-N 3.07Å; Y173-S176 PolarHBondContact O-N 3.42Å; Y173-S176 PolarHBondContact O-OG 3.38Å; Y173-L177 HydrophobicContact CD1-CD1 4.09Å; Y173-L177 HydrophobicContact CE1-CD1 3.44Å; Y173-L177 VanDerWaalsContact CE1-CD1 3.44Å; Y173-L177 HydrophobicContact CE1-CG 4.14Å; Y173-L177 HydrophobicContact CE2-CD1 4.34Å; Y173-L177 HydrophobicContact CE2-CD2 4.33Å; Y173-L177 HydrophobicContact CE2-CG 4.25Å; Y173-L177 WeakPolarHBondContact O-CG 3.33Å; Y173-L177 PolarHBondContact O-N 2.89Å; Y173-L186 HydrophobicContact CD2-CB 4.09Å; Y173-L186 HydrophobicContact CD2-CD1 4.43Å; Y173-M188 HydrophobicContact CD1-CE 3.98Å; Y173-M188 HydrophobicContact CD1-CG 3.76Å; Y173-M188 HydrophobicContact CD1-SD 3.97Å; Y173-M188 HydrophobicContact CD2-CG 3.85Å; Y173-M188 HydrophobicContact CD2-SD 4.11Å; Y173-M188 HydrophobicContact CE1-CG 3.64Å; Y173-M188 HydrophobicContact CE1-SD 4.46Å; Y173-M188 HydrophobicContact CE2-CG 3.74Å; Y173-M188 HydrophobicContact CG-CE 4.28Å; Y173-M188 HydrophobicContact CG-CG 3.86Å; Y173-M188 HydrophobicContact CG-SD 3.77Å; Y173-L236 HydrophobicContact CE1-CB 4.36Å; Y173-L236 HydrophobicContact CE1-CD1 4.3Å |
| 174 | I | 91.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 178.7 | -69.7 | 163.4 | 0 | 0 | 0 | 111.1 | L170 T171 S176 L177 L178 I204 A207 I208 L233 L236 | L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.28Å; T171-I174 PolarHBondContact O-N 2.9Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 2.84Å; I174-L177 PolarHBondContact O-N 3.33Å; I174-L178 HydrophobicContact CG2-CD1 3.59Å; I174-L178 HydrophobicContact CG2-CG 4.25Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.26Å; I174-L178 WeakPolarHBondContact O-CG 3.4Å; I174-L178 PolarHBondContact O-N 3.1Å; I174-I204 HydrophobicContact CD1-CB 3.91Å; I174-I204 HydrophobicContact CD1-CG1 3.86Å; I174-I204 HydrophobicContact CD1-CG2 3.7Å; I174-A207 HydrophobicContact CD1-CB 4.46Å; I174-A207 HydrophobicContact CG2-CB 4.05Å; I174-I208 HydrophobicContact CG2-CG1 4.03Å; I174-L233 HydrophobicContact CG2-CD2 4.32Å; I174-L236 HydrophobicContact CG1-CD2 4.32Å |
| 175 | E | 90.9 | Very high | 82.7 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 176.2 | -74.2 | 171.6 | 173.8 | 0 | 0 | 111.4 | T171 K172 Y173 L177 L178 Q179 | T171-E175 WeakPolarHBondContact O-CB 3.49Å; T171-E175 WeakPolarHBondContact O-CG 3.39Å; T171-E175 PolarHBondContact O-N 3.31Å; K172-E175 PolarHBondContact O-N 2.86Å; Y173-E175 PolarHBondContact O-N 3.07Å; E175-L177 PolarHBondContact O-N 3.08Å; E175-L178 PolarHBondContact O-N 3.25Å; E175-Q179 WeakPolarHBondContact O-CB 3.48Å; E175-Q179 VanDerWaalsContact O-CG 3.27Å; E175-Q179 WeakPolarHBondContact O-CG 3.38Å; E175-Q179 PolarHBondContact O-N 3.39Å |
| 176 | S | 91.7 | Very high | 81.8 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 12% | 0.119 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 178.4 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | K172 Y173 I174 L178 Q179 G180 D181 S184 | K172-S176 WeakPolarHBondContact O-CB 3.35Å; K172-S176 PolarHBondContact O-N 3.07Å; K172-S176 PolarHBondContact O-OG 3.45Å; Y173-S176 PolarHBondContact O-N 3.42Å; Y173-S176 PolarHBondContact O-OG 3.38Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 2.84Å; S176-L178 PolarHBondContact O-N 3.37Å; S176-Q179 PolarHBondContact O-N 3.48Å; S176-G180 PolarHBondContact O-N 3.43Å; S176-D181 PolarHBondContact O-N 3.36Å; S176-S184 WeakPolarHBondContact OG-CB 3.5Å; S176-S184 PolarHBondContact OG-OG 2.95Å |
| 177 | L | 92.3 | Very high | 81 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 172.9 | -71.2 | -175.1 | 0 | 0 | 0 | 111.4 | Y173 I174 E175 Q179 G180 K232 L233 P235 L236 | Y173-L177 HydrophobicContact CD1-CD1 4.09Å; Y173-L177 HydrophobicContact CE1-CD1 3.44Å; Y173-L177 VanDerWaalsContact CE1-CD1 3.44Å; Y173-L177 HydrophobicContact CE1-CG 4.14Å; Y173-L177 HydrophobicContact CE2-CD1 4.34Å; Y173-L177 HydrophobicContact CE2-CD2 4.33Å; Y173-L177 HydrophobicContact CE2-CG 4.25Å; Y173-L177 WeakPolarHBondContact O-CG 3.33Å; Y173-L177 PolarHBondContact O-N 2.89Å; I174-L177 PolarHBondContact O-N 3.33Å; E175-L177 PolarHBondContact O-N 3.08Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 2.73Å; L177-G180 PolarHBondContact O-N 2.98Å; L177-G180 VanDerWaalsContact O-N 3.12Å; L177-K232 WeakPolarHBondContact O-CB 3.49Å; L177-L233 HydrophobicContact CB-CD2 4.36Å; L177-L233 HydrophobicContact CD1-CD2 4.25Å; L177-P235 HydrophobicContact CD1-CB 4.42Å; L177-P235 HydrophobicContact CD2-CB 4.17Å; L177-P235 HydrophobicContact CD2-CG 3.95Å; L177-L236 HydrophobicContact CD1-CB 3.97Å |
| 178 | L | 92.7 | Very high | 80.6 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.8 | -30.2 | -178.4 | -71.4 | 173.3 | 0 | 0 | 0 | 112.4 | I174 E175 S176 G180 Y211 Q229 K232 L233 | I174-L178 HydrophobicContact CG2-CD1 3.59Å; I174-L178 HydrophobicContact CG2-CG 4.25Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.26Å; I174-L178 WeakPolarHBondContact O-CG 3.4Å; I174-L178 PolarHBondContact O-N 3.1Å; E175-L178 PolarHBondContact O-N 3.25Å; S176-L178 PolarHBondContact O-N 3.37Å; L178-G180 VanDerWaalsContact C-N 3.31Å; L178-Y211 HydrophobicContact CB-CD1 3.92Å; L178-Y211 HydrophobicContact CB-CD2 3.89Å; L178-Y211 HydrophobicContact CB-CE1 3.81Å; L178-Y211 HydrophobicContact CB-CE2 3.83Å; L178-Y211 HydrophobicContact CB-CG 3.95Å; L178-Y211 HydrophobicContact CD1-CD1 3.84Å; L178-Y211 HydrophobicContact CD1-CD2 4.2Å; L178-Y211 HydrophobicContact CD1-CG 3.62Å; L178-Y211 HydrophobicContact CD2-CD1 4.04Å; L178-Y211 HydrophobicContact CD2-CE1 4.19Å; L178-Y211 HydrophobicContact CG-CD1 4.16Å; L178-Y211 HydrophobicContact CG-CE1 4.41Å; L178-Y211 HydrophobicContact CG-CG 4.27Å; L178-Y211 PolarHBondContact O-OH 2.82Å; L178-Q229 HydrophobicContact CD2-CB 4.02Å; L178-Q229 HydrophobicContact CD2-CG 3.98Å; L178-K232 HydrophobicContact CD2-CB 4.42Å; L178-K232 WeakPolarHBondContact O-CD 2.92Å; L178-K232 WeakPolarHBondContact O-CE 3.4Å; L178-K232 PolarHBondContact O-NZ 2.84Å; L178-L233 HydrophobicContact CD2-CD1 4.1Å; L178-L233 HydrophobicContact CD2-CD2 3.97Å; L178-L233 HydrophobicContact CD2-CG 3.84Å; L178-L233 HydrophobicContact CG-CD2 4.04Å; L178-L233 HydrophobicContact CG-CG 4.47Å |
| 179 | Q | 91.8 | Very high | 80.3 | Confident | 116 Ų | 116 | 68.5 Ų | 68.5 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77.3 | -18.4 | 172.8 | -69.9 | 174.7 | 17.7 | 0 | 0 | 112.6 | E175 S176 L177 Y211 | E175-Q179 WeakPolarHBondContact O-CB 3.48Å; E175-Q179 VanDerWaalsContact O-CG 3.27Å; E175-Q179 WeakPolarHBondContact O-CG 3.38Å; E175-Q179 PolarHBondContact O-N 3.39Å; S176-Q179 PolarHBondContact O-N 3.48Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 2.73Å; Q179-Y211 HydrophobicContact CG-CE2 4.36Å |
| 180 | G | 86 | Confident | 79.9 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 19.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S176 L177 L178 K182 | S176-G180 PolarHBondContact O-N 3.43Å; L177-G180 PolarHBondContact O-N 2.98Å; L177-G180 VanDerWaalsContact O-N 3.12Å; L178-G180 VanDerWaalsContact C-N 3.31Å; G180-K182 PolarHBondContact O-N 3.31Å |
| 181 | D | 82.3 | Confident | 79.5 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | trans | -70.4 | 120.3 | 178.2 | -73.4 | -17.7 | 0 | 0 | 0 | 109.9 | S176 T183 | S176-D181 PolarHBondContact O-N 3.36Å; D181-T183 PolarHBondContact O-N 2.93Å; D181-T183 VanDerWaalsContact O-N 3.11Å | ||
| 182 | K | 66.6 | Low | 79.3 | Confident | 208 Ų | 208 | 73.2 Ų | 73.2 | 90% | 0.904 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.7 | 179.3 | -66.3 | -176.7 | 179.5 | 178.5 | 0 | 113.6 | G180 | G180-K182 PolarHBondContact O-N 3.31Š|
| 183 | T | 54.3 | Low | 78.9 | Confident | 123 Ų | 123 | 71.3 Ų | 71.3 | 76% | 0.755 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -6.9 | -165.3 | 2.2 | 0 | 0 | 0 | 0 | 114.6 | D181 Q185 | D181-T183 PolarHBondContact O-N 2.93Å; D181-T183 VanDerWaalsContact O-N 3.11Å; T183-Q185 VanDerWaalsContact C-N 3.26Å; T183-Q185 PolarHBondContact O-N 3.4Å |
| 184 | S | 58.2 | Low | 78.2 | Confident | 25 Ų | 25 | 72 Ų | 72 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | trans | -83.7 | 66 | -178.1 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | S176 L186 | S176-S184 WeakPolarHBondContact OG-CB 3.5Å; S176-S184 PolarHBondContact OG-OG 2.95Å; S184-L186 PolarHBondContact O-N 2.97Å | ||
| 185 | Q | 56.7 | Low | 77.2 | Confident | 191 Ų | 191 | 78.8 Ų | 78.8 | 89% | 0.893 | 41% | 0.405 | S | S | * | . | trans | -75.5 | 37.9 | 159.9 | -69.4 | -171.1 | -6.1 | 0 | 0 | 111.1 | T183 D187 | T183-Q185 VanDerWaalsContact C-N 3.26Å; T183-Q185 PolarHBondContact O-N 3.4Å; Q185-D187 PolarHBondContact O-N 2.8Å | ||
| 186 | L | 66.3 | Low | 76.3 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 43% | 0.429 | 39% | 0.392 | S | S | . | . | trans | -71.2 | 118.4 | 169.3 | -87.4 | 149.2 | 0 | 0 | 0 | 107 | T169 Y173 S184 M188 | T169-L186 HydrophobicContact CG2-CD2 3.93Å; Y173-L186 HydrophobicContact CD2-CB 4.09Å; Y173-L186 HydrophobicContact CD2-CD1 4.43Å; S184-L186 PolarHBondContact O-N 2.97Å; L186-M188 VanDerWaalsContact C-N 3.26Å; L186-M188 HydrophobicContact CB-SD 4.23Å; L186-M188 PolarHBondContact O-N 2.77Å | ||
| 187 | D | 69.4 | Low | 75.7 | Confident | 112 Ų | 112 | 74.8 Ų | 74.8 | 60% | 0.599 | 39% | 0.387 | S | S | * | . | trans | -69.8 | 88.9 | 173.1 | -171.1 | 1.7 | 0 | 0 | 0 | 109.4 | Q185 K189 | Q185-D187 PolarHBondContact O-N 2.8Å; D187-K189 PolarHBondContact O-N 3.05Å; D187-K189 WeakPolarHBondContact OD1-CB 3.28Å; D187-K189 VanDerWaalsContact OD1-CG 3.29Å; D187-K189 WeakPolarHBondContact OD1-CG 3.47Å; D187-K189 PolarHBondContact OD1-N 2.8Å; D187-K189 VanDerWaalsContact OD1-N 3.11Å | ||
| 188 | M | 77.4 | Confident | 75.2 | Confident | 5 Ų | 5 | 79.9 Ų | 79.9 | 3% | 0.025 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.2 | -8.7 | -179.8 | -67.8 | -57.5 | -65.2 | 0 | 0 | 112.9 | L170 Y173 L186 E190 V191 F192 T239 | L170-M188 HydrophobicContact CD2-CE 3.22Å; L170-M188 HydrophobicContact CG-CE 3.77Å; Y173-M188 HydrophobicContact CD1-CE 3.98Å; Y173-M188 HydrophobicContact CD1-CG 3.76Å; Y173-M188 HydrophobicContact CD1-SD 3.97Å; Y173-M188 HydrophobicContact CD2-CG 3.85Å; Y173-M188 HydrophobicContact CD2-SD 4.11Å; Y173-M188 HydrophobicContact CE1-CG 3.64Å; Y173-M188 HydrophobicContact CE1-SD 4.46Å; Y173-M188 HydrophobicContact CE2-CG 3.74Å; Y173-M188 HydrophobicContact CG-CE 4.28Å; Y173-M188 HydrophobicContact CG-CG 3.86Å; Y173-M188 HydrophobicContact CG-SD 3.77Å; L186-M188 VanDerWaalsContact C-N 3.26Å; L186-M188 HydrophobicContact CB-SD 4.23Å; L186-M188 PolarHBondContact O-N 2.77Å; M188-E190 PolarHBondContact O-N 3.37Å; M188-V191 HydrophobicContact CE-CB 3.89Å; M188-V191 HydrophobicContact CE-CG1 3.93Å; M188-V191 HydrophobicContact CE-CG2 3.99Å; M188-V191 PolarHBondContact O-N 2.85Å; M188-V191 VanDerWaalsContact O-N 3.16Å; M188-V191 HydrophobicContact SD-CG2 4.09Å; M188-F192 HydrophobicContact CB-CD2 3.94Å; M188-F192 HydrophobicContact CB-CE2 3.93Å; M188-F192 HydrophobicContact CE-CD2 4.3Å; M188-F192 HydrophobicContact CE-CE2 3.61Å; M188-F192 HydrophobicContact CE-CZ 4.18Å; M188-F192 WeakPolarHBondContact O-CD2 3.05Å; M188-F192 PolarHBondContact O-N 3.4Å; M188-T239 HydrophobicContact CB-CG2 4.22Å |
| 189 | K | 79.2 | Confident | 74.8 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -37.4 | 179.2 | -66.4 | 177.1 | 178.5 | 176.5 | 0 | 111.4 | D187 S193 H243 | D187-K189 PolarHBondContact O-N 3.05Å; D187-K189 WeakPolarHBondContact OD1-CB 3.28Å; D187-K189 VanDerWaalsContact OD1-CG 3.29Å; D187-K189 WeakPolarHBondContact OD1-CG 3.47Å; D187-K189 PolarHBondContact OD1-N 2.8Å; D187-K189 VanDerWaalsContact OD1-N 3.11Å; K189-S193 VanDerWaalsContact O-CB 3.24Å; K189-S193 WeakPolarHBondContact O-CB 3.5Å; K189-S193 PolarHBondContact O-N 3.37Å; K189-H243 PolarHBondContact O-CE1 3.4Å; K189-H243 PolarHBondContact O-NE2 3.39Å |
| 190 | E | 78 | Confident | 74.4 | Confident | 150 Ų | 150 | 77.1 Ų | 77.1 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.5 | -42.9 | 177.9 | -168.6 | 173.2 | -174 | 0 | 0 | 111.1 | M188 F192 S193 | M188-E190 PolarHBondContact O-N 3.37Å; E190-F192 PolarHBondContact O-N 2.84Å; E190-S193 PolarHBondContact O-N 3.27Å; E190-S193 VanDerWaalsContact O-N 3.17Å; E190-S193 PolarHBondContact O-OG 3.07Å |
| 191 | V | 79.1 | Confident | 74.6 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | L170 M188 S193 S194 T197 | L170-V191 HydrophobicContact CD1-CG1 3.64Å; L170-V191 HydrophobicContact CD2-CG1 4.02Å; L170-V191 HydrophobicContact CG-CG1 3.77Å; M188-V191 HydrophobicContact CE-CB 3.89Å; M188-V191 HydrophobicContact CE-CG1 3.93Å; M188-V191 HydrophobicContact CE-CG2 3.99Å; M188-V191 PolarHBondContact O-N 2.85Å; M188-V191 VanDerWaalsContact O-N 3.16Å; M188-V191 HydrophobicContact SD-CG2 4.09Å; V191-S193 VanDerWaalsContact C-N 3.32Å; V191-S193 PolarHBondContact O-N 2.95Å; V191-S194 PolarHBondContact O-OG 2.9Å; V191-T197 PolarHBondContact O-OG1 3.01Å |
| 192 | F | 84.1 | Confident | 75 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -81 | -6.4 | 179.9 | -68.3 | -72.5 | 0 | 0 | 0 | 114.1 | L170 M188 E190 S194 T197 I204 L236 T239 M240 H243 L245 | L170-F192 HydrophobicContact CD2-CE1 4.19Å; L170-F192 HydrophobicContact CD2-CE2 4.13Å; L170-F192 HydrophobicContact CD2-CZ 3.55Å; M188-F192 HydrophobicContact CB-CD2 3.94Å; M188-F192 HydrophobicContact CB-CE2 3.93Å; M188-F192 HydrophobicContact CE-CD2 4.3Å; M188-F192 HydrophobicContact CE-CE2 3.61Å; M188-F192 HydrophobicContact CE-CZ 4.18Å; M188-F192 WeakPolarHBondContact O-CD2 3.05Å; M188-F192 PolarHBondContact O-N 3.4Å; E190-F192 PolarHBondContact O-N 2.84Å; F192-S194 VanDerWaalsContact C-N 3.35Å; F192-T197 WeakPolarHBondContact CA-OG1 3.43Å; F192-T197 HydrophobicContact CD1-CG2 3.4Å; F192-T197 VanDerWaalsContact CD1-CG2 3.4Å; F192-T197 HydrophobicContact CE1-CG2 3.9Å; F192-T197 HydrophobicContact CG-CG2 4.39Å; F192-I204 HydrophobicContact CE1-CD1 3.97Å; F192-I204 HydrophobicContact CZ-CD1 4.22Å; F192-L236 HydrophobicContact CE1-CD1 4.45Å; F192-L236 HydrophobicContact CE2-CD1 3.82Å; F192-L236 HydrophobicContact CZ-CD1 3.44Å; F192-L236 VanDerWaalsContact CZ-CD1 3.44Å; F192-T239 HydrophobicContact CB-CG2 4.42Å; F192-T239 HydrophobicContact CD2-CG2 3.5Å; F192-T239 HydrophobicContact CE2-CG2 4.16Å; F192-T239 HydrophobicContact CG-CG2 4.24Å; F192-M240 HydrophobicContact CD1-CG 4.24Å; F192-M240 HydrophobicContact CE1-CE 4.39Å; F192-M240 HydrophobicContact CE1-CG 3.95Å; F192-M240 HydrophobicContact CE1-SD 4.33Å; F192-M240 HydrophobicContact CZ-CG 4.18Å; F192-H243 HydrophobicContact CB-CB 4.43Å; F192-H243 VanDerWaalsContact CB-CD2 3.41Å; F192-H243 WeakPolarHBondContact CB-CD2 3.31Å; F192-H243 PolarHBondContact O-ND1 3.01Å; F192-L245 HydrophobicContact CB-CD1 4.13Å; F192-L245 HydrophobicContact CD1-CD1 3.76Å; F192-L245 HydrophobicContact CG-CD1 4.38Å |
| 193 | S | 78.9 | Confident | 76 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 57% | 0.566 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -78.7 | -21.4 | 172.4 | 76 | 0 | 0 | 0 | 0 | 113.1 | K189 E190 V191 | K189-S193 VanDerWaalsContact O-CB 3.24Å; K189-S193 WeakPolarHBondContact O-CB 3.5Å; K189-S193 PolarHBondContact O-N 3.37Å; E190-S193 PolarHBondContact O-N 3.27Å; E190-S193 VanDerWaalsContact O-N 3.17Å; E190-S193 PolarHBondContact O-OG 3.07Å; V191-S193 VanDerWaalsContact C-N 3.32Å; V191-S193 PolarHBondContact O-N 2.95Å |
| 194 | S | 76.1 | Confident | 77.7 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -81.8 | 148.7 | -175.2 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | Q166 V191 F192 S196 T197 | Q166-S194 PolarHBondContact NE2-OG 2.9Å; V191-S194 PolarHBondContact O-OG 2.9Å; F192-S194 VanDerWaalsContact C-N 3.35Å; S194-S196 WeakPolarHBondContact CB-OG 3.3Å; S194-S196 PolarHBondContact O-N 3.5Å; S194-S196 PolarHBondContact OG-OG 3.5Å; S194-T197 WeakPolarHBondContact O-CB 3.17Å; S194-T197 PolarHBondContact O-N 3.11Å; S194-T197 PolarHBondContact O-OG1 3.4Å; S194-T197 PolarHBondContact OG-OG1 3.31Å |
| 195 | R | 68.8 | Low | 79.4 | Confident | 144 Ų | 144 | 60.3 Ų | 60.3 | 54% | 0.543 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.8 | 173.9 | -75.7 | -175.2 | 176.3 | -171.5 | -3.7 | 112.6 | D3 T197 Y198 | D3-R195 IonicContact OD1-CZ 2.64Å; D3-R195 IonicContact OD1-NH1 3.19Å; D3-R195 PolarHBondContact OD1-NH1 3.15Å; D3-R195 IonicContact OD1-NH2 2.73Å; D3-R195 PolarHBondContact OD1-NH2 3.27Å; R195-T197 PolarHBondContact O-N 3.38Å; R195-Y198 WeakPolarHBondContact O-CD2 3.39Å |
| 196 | S | 71.9 | Confident | 81.1 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.8 | 177.4 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | F162 Q166 S194 Y198 A199 | F162-S196 VanDerWaalsContact CE1-OG 3.23Å; F162-S196 WeakPolarHBondContact CE1-OG 3.4Å; Q166-S196 PolarHBondContact NE2-OG 3.46Å; Q166-S196 PolarHBondContact OE1-OG 2.9Å; S194-S196 WeakPolarHBondContact CB-OG 3.3Å; S194-S196 PolarHBondContact O-N 3.5Å; S194-S196 PolarHBondContact OG-OG 3.5Å; S196-Y198 PolarHBondContact O-N 3.08Å; S196-Y198 VanDerWaalsContact O-N 3.1Å; S196-A199 WeakPolarHBondContact O-CB 3.16Å; S196-A199 PolarHBondContact O-N 3.15Å |
| 197 | T | 78.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -51.5 | -35.1 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 113 | V191 F192 S194 R195 A199 C200 F201 L245 | V191-T197 PolarHBondContact O-OG1 3.01Å; F192-T197 WeakPolarHBondContact CA-OG1 3.43Å; F192-T197 HydrophobicContact CD1-CG2 3.4Å; F192-T197 VanDerWaalsContact CD1-CG2 3.4Å; F192-T197 HydrophobicContact CE1-CG2 3.9Å; F192-T197 HydrophobicContact CG-CG2 4.39Å; S194-T197 WeakPolarHBondContact O-CB 3.17Å; S194-T197 PolarHBondContact O-N 3.11Å; S194-T197 PolarHBondContact O-OG1 3.4Å; S194-T197 PolarHBondContact OG-OG1 3.31Å; R195-T197 PolarHBondContact O-N 3.38Å; T197-A199 VanDerWaalsContact C-N 3.26Å; T197-A199 PolarHBondContact O-N 3.47Å; T197-C200 WeakPolarHBondContact O-CA 3.23Å; T197-C200 WeakPolarHBondContact O-CB 3.47Å; T197-C200 PolarHBondContact O-N 3.35Å; T197-F201 HydrophobicContact CG2-CE2 4.08Å; T197-F201 WeakPolarHBondContact O-CD2 3.47Å; T197-F201 PolarHBondContact O-N 3.09Å; T197-L245 HydrophobicContact CG2-CD1 3.82Å |
| 198 | Y | 83.6 | Confident | 83.6 | Confident | 124 Ų | 124 | 46.3 Ų | 46.3 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.6 | -37.8 | 177 | -73.2 | -84.2 | 0 | 0 | 0 | 112.7 | R195 S196 C200 F201 L245 E248 | R195-Y198 WeakPolarHBondContact O-CD2 3.39Å; S196-Y198 PolarHBondContact O-N 3.08Å; S196-Y198 VanDerWaalsContact O-N 3.1Å; Y198-C200 PolarHBondContact O-N 2.98Å; Y198-F201 HydrophobicContact CD1-CE2 4.02Å; Y198-F201 HydrophobicContact CG-CE2 4.35Å; Y198-F201 WeakPolarHBondContact O-CD2 3.28Å; Y198-F201 PolarHBondContact O-N 3.44Å; Y198-L245 HydrophobicContact CE2-CD2 4.48Å; Y198-E248 HydrophobicContact CD1-CG 3.82Å; Y198-E248 HydrophobicContact CE1-CB 4.31Å; Y198-E248 HydrophobicContact CE1-CG 3.78Å |
| 199 | A | 82.6 | Confident | 84.5 | Confident | 58 Ų | 58 | 46 Ų | 46 | 48% | 0.479 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.3 | -18.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L163 S196 T197 | L163-A199 HydrophobicContact CD2-CB 3.7Å; S196-A199 WeakPolarHBondContact O-CB 3.16Å; S196-A199 PolarHBondContact O-N 3.15Å; T197-A199 VanDerWaalsContact C-N 3.26Å; T197-A199 PolarHBondContact O-N 3.47Å |
| 200 | C | 85 | Confident | 85.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -88.6 | -15.3 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 113.9 | L170 T197 Y198 L203 I204 | L170-C200 HydrophobicContact CD1-CB 3.53Å; T197-C200 WeakPolarHBondContact O-CA 3.23Å; T197-C200 WeakPolarHBondContact O-CB 3.47Å; T197-C200 PolarHBondContact O-N 3.35Å; Y198-C200 PolarHBondContact O-N 2.98Å; C200-L203 WeakPolarHBondContact O-CB 3.36Å; C200-L203 PolarHBondContact O-N 3.17Å; C200-L203 VanDerWaalsContact O-N 3.08Å; C200-I204 WeakPolarHBondContact O-CG1 3.31Å; C200-I204 PolarHBondContact O-N 3.3Å |
| 201 | F | 90.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -47.1 | -177.7 | -77 | -98.7 | 0 | 0 | 0 | 113.7 | T197 Y198 L203 I204 I205 M240 L245 E248 L249 Q252 | T197-F201 HydrophobicContact CG2-CE2 4.08Å; T197-F201 WeakPolarHBondContact O-CD2 3.47Å; T197-F201 PolarHBondContact O-N 3.09Å; Y198-F201 HydrophobicContact CD1-CE2 4.02Å; Y198-F201 HydrophobicContact CG-CE2 4.35Å; Y198-F201 WeakPolarHBondContact O-CD2 3.28Å; Y198-F201 PolarHBondContact O-N 3.44Å; F201-L203 PolarHBondContact O-N 3.27Å; F201-L203 VanDerWaalsContact O-N 3.14Å; F201-I204 WeakPolarHBondContact O-CB 3.42Å; F201-I204 PolarHBondContact O-N 3.46Å; F201-I205 WeakPolarHBondContact O-CG1 3.27Å; F201-I205 PolarHBondContact O-N 3.33Å; F201-M240 HydrophobicContact CD1-CE 4.02Å; F201-M240 HydrophobicContact CE1-CE 3.23Å; F201-M240 HydrophobicContact CZ-CE 3.85Å; F201-L245 HydrophobicContact CZ-CB 4.01Å; F201-L245 HydrophobicContact CZ-CD1 4.44Å; F201-L245 HydrophobicContact CZ-CD2 4.19Å; F201-L245 HydrophobicContact CZ-CG 4.43Å; F201-E248 HydrophobicContact CD1-CG 4.26Å; F201-E248 HydrophobicContact CD2-CG 4.17Å; F201-E248 HydrophobicContact CE1-CB 3.86Å; F201-E248 HydrophobicContact CE1-CG 3.89Å; F201-E248 HydrophobicContact CE2-CB 4.36Å; F201-E248 HydrophobicContact CE2-CG 3.81Å; F201-E248 HydrophobicContact CG-CG 4.36Å; F201-E248 HydrophobicContact CZ-CB 3.71Å; F201-E248 HydrophobicContact CZ-CG 3.64Å; F201-L249 HydrophobicContact CD1-CB 4.21Å; F201-L249 HydrophobicContact CD1-CD1 4.08Å; F201-L249 HydrophobicContact CE1-CB 3.94Å; F201-L249 HydrophobicContact CE1-CD1 4.44Å; F201-Q252 HydrophobicContact CB-CB 4.13Å; F201-Q252 HydrophobicContact CB-CG 3.71Å; F201-Q252 HydrophobicContact CD1-CG 4.33Å; F201-Q252 HydrophobicContact CG-CG 4.16Å |
| 202 | P | 89.4 | Confident | 86.6 | Confident | 57 Ų | 57 | 37.2 Ų | 37.2 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.1 | -36.3 | 177.5 | -27.2 | 36.3 | 0 | 0 | 0 | 112.5 | N206 | P202-N206 VanDerWaalsContact O-CB 3.3Å; P202-N206 WeakPolarHBondContact O-CB 3.24Å; P202-N206 PolarHBondContact O-N 3.25Å; P202-N206 PolarHBondContact O-ND2 3.31Å; P202-N206 PolarHBondContact O-OD1 2.94Å |
| 203 | L | 87.1 | Confident | 87 | Confident | 69 Ų | 69 | 38.6 Ų | 38.6 | 36% | 0.361 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.5 | -43.6 | 177.5 | -63.8 | 158.3 | 0 | 0 | 0 | 112 | S167 C200 F201 I205 N206 A207 | S167-L203 WeakPolarHBondContact OG-CD1 3.33Å; C200-L203 WeakPolarHBondContact O-CB 3.36Å; C200-L203 PolarHBondContact O-N 3.17Å; C200-L203 VanDerWaalsContact O-N 3.08Å; F201-L203 PolarHBondContact O-N 3.27Å; F201-L203 VanDerWaalsContact O-N 3.14Å; L203-I205 VanDerWaalsContact C-N 3.31Å; L203-I205 PolarHBondContact O-N 3.37Å; L203-N206 PolarHBondContact O-N 2.97Å; L203-A207 WeakPolarHBondContact O-CB 3.46Å; L203-A207 PolarHBondContact O-N 2.82Å |
| 204 | I | 91.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.6 | -49.9 | 173.7 | -65.3 | 171.4 | 0 | 0 | 0 | 109.7 | L170 I174 F192 C200 F201 A207 I208 L236 L249 | L170-I204 HydrophobicContact CD2-CD1 4Å; L170-I204 HydrophobicContact CD2-CG1 4.19Å; I174-I204 HydrophobicContact CD1-CB 3.91Å; I174-I204 HydrophobicContact CD1-CG1 3.86Å; I174-I204 HydrophobicContact CD1-CG2 3.7Å; F192-I204 HydrophobicContact CE1-CD1 3.97Å; F192-I204 HydrophobicContact CZ-CD1 4.22Å; C200-I204 WeakPolarHBondContact O-CG1 3.31Å; C200-I204 PolarHBondContact O-N 3.3Å; F201-I204 WeakPolarHBondContact O-CB 3.42Å; F201-I204 PolarHBondContact O-N 3.46Å; I204-A207 PolarHBondContact O-N 3.32Å; I204-I208 HydrophobicContact CG2-CD1 3.88Å; I204-I208 VanDerWaalsContact O-CG1 3.27Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 2.54Å; I204-L236 HydrophobicContact CG2-CD2 4.25Å; I204-L249 HydrophobicContact CG2-CD1 4.09Å |
| 205 | I | 93.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 179.5 | -58.8 | -46.5 | 0 | 0 | 0 | 110.9 | F201 L203 A207 I208 C209 L249 Q252 F253 | F201-I205 WeakPolarHBondContact O-CG1 3.27Å; F201-I205 PolarHBondContact O-N 3.33Å; L203-I205 VanDerWaalsContact C-N 3.31Å; L203-I205 PolarHBondContact O-N 3.37Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.15Å; I205-I208 PolarHBondContact O-N 2.73Å; I205-C209 WeakPolarHBondContact O-CB 3.47Å; I205-C209 PolarHBondContact O-N 2.82Å; I205-C209 PolarHBondContact O-SG 3.48Å; I205-L249 HydrophobicContact CD1-CD1 3.38Å; I205-L249 HydrophobicContact CD1-CG 4.2Å; I205-Q252 HydrophobicContact CG1-CB 4.17Å; I205-F253 HydrophobicContact CD1-CD1 4Å; I205-F253 HydrophobicContact CD1-CD2 3.45Å; I205-F253 VanDerWaalsContact CD1-CD2 3.45Å; I205-F253 HydrophobicContact CD1-CE1 3.88Å; I205-F253 HydrophobicContact CD1-CE2 3.31Å; I205-F253 HydrophobicContact CD1-CG 3.8Å; I205-F253 HydrophobicContact CD1-CZ 3.54Å; I205-F253 HydrophobicContact CG1-CG 4.49Å; I205-F253 HydrophobicContact CG2-CD1 3.65Å; I205-F253 HydrophobicContact CG2-CE1 3.73Å; I205-F253 HydrophobicContact CG2-CG 4.31Å; I205-F253 HydrophobicContact CG2-CZ 4.45Å |
| 206 | N | 92.9 | Very high | 89.4 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 179.7 | -69.6 | -9.6 | 0 | 0 | 0 | 111.9 | P202 L203 C209 S210 R268 | P202-N206 VanDerWaalsContact O-CB 3.3Å; P202-N206 WeakPolarHBondContact O-CB 3.24Å; P202-N206 PolarHBondContact O-N 3.25Å; P202-N206 PolarHBondContact O-ND2 3.31Å; P202-N206 PolarHBondContact O-OD1 2.94Å; L203-N206 PolarHBondContact O-N 2.97Å; N206-C209 PolarHBondContact O-N 3.34Å; N206-S210 WeakPolarHBondContact O-CB 3.4Å; N206-S210 PolarHBondContact O-N 3.08Å; N206-R268 PolarHBondContact OD1-NH2 3.31Å |
| 207 | A | 92.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T171 I174 L203 I204 I205 Y211 | T171-A207 HydrophobicContact CG2-CB 4.46Å; I174-A207 HydrophobicContact CD1-CB 4.46Å; I174-A207 HydrophobicContact CG2-CB 4.05Å; L203-A207 WeakPolarHBondContact O-CB 3.46Å; L203-A207 PolarHBondContact O-N 2.82Å; I204-A207 PolarHBondContact O-N 3.32Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.15Å; A207-Y211 WeakPolarHBondContact O-CB 3.2Å; A207-Y211 PolarHBondContact O-N 3.18Å; A207-Y211 VanDerWaalsContact O-N 3.07Å |
| 208 | I | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.2 | -65.3 | 167 | 0 | 0 | 0 | 110.5 | I174 I204 I205 Y211 G212 Q229 L233 L236 F253 W271 | I174-I208 HydrophobicContact CG2-CG1 4.03Å; I204-I208 HydrophobicContact CG2-CD1 3.88Å; I204-I208 VanDerWaalsContact O-CG1 3.27Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 2.54Å; I205-I208 PolarHBondContact O-N 2.73Å; I208-Y211 PolarHBondContact O-N 2.97Å; I208-G212 PolarHBondContact O-N 2.95Å; I208-G212 VanDerWaalsContact O-N 3.12Å; I208-Q229 PolarHBondContact O-NE2 2.87Å; I208-L233 HydrophobicContact CD1-CD1 3.83Å; I208-L233 HydrophobicContact CG1-CD1 3.84Å; I208-L233 HydrophobicContact CG2-CD1 4.06Å; I208-L236 HydrophobicContact CD1-CD2 4.38Å; I208-F253 HydrophobicContact CD1-CZ 4.25Å; I208-F253 HydrophobicContact CG2-CZ 4.28Å; I208-W271 HydrophobicContact CG2-CZ2 3.69Å |
| 209 | C | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.8 | -43 | -176.4 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | I205 N206 Y211 G212 C213 D264 I267 R268 | I205-C209 WeakPolarHBondContact O-CB 3.47Å; I205-C209 PolarHBondContact O-N 2.82Å; I205-C209 PolarHBondContact O-SG 3.48Å; N206-C209 PolarHBondContact O-N 3.34Å; C209-Y211 PolarHBondContact O-N 3.27Å; C209-G212 CarbonylContact O-C 3.43Å; C209-G212 WeakPolarHBondContact O-CA 3.42Å; C209-G212 PolarHBondContact O-N 3.43Å; C209-C213 PolarHBondContact O-N 3.45Å; C209-C213 PolarHBondContact O-SG 2.82Å; C209-D264 WeakPolarHBondContact CB-OD1 3.5Å; C209-I267 HydrophobicContact CB-CG2 4.34Å; C209-R268 HydrophobicContact CB-CG 4.41Å; C209-R268 WeakPolarHBondContact SG-CG 3.47Å |
| 210 | S | 93.5 | Very high | 90.8 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 41% | 0.406 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 176.4 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | N206 G212 C213 N214 | N206-S210 WeakPolarHBondContact O-CB 3.4Å; N206-S210 PolarHBondContact O-N 3.08Å; S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 2.7Å; S210-C213 WeakPolarHBondContact O-CB 3.39Å; S210-C213 PolarHBondContact O-N 2.79Å; S210-N214 VanDerWaalsContact O-CG 3.29Å; S210-N214 PolarHBondContact O-N 3.5Å; S210-N214 VanDerWaalsContact O-N 3.08Å; S210-N214 PolarHBondContact O-ND2 2.85Å |
| 211 | Y | 93.7 | Very high | 91.1 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 173.5 | -178.2 | -89.7 | 0 | 0 | 0 | 111.9 | L178 Q179 A207 I208 C209 N214 L215 Q229 K232 | L178-Y211 HydrophobicContact CB-CD1 3.92Å; L178-Y211 HydrophobicContact CB-CD2 3.89Å; L178-Y211 HydrophobicContact CB-CE1 3.81Å; L178-Y211 HydrophobicContact CB-CE2 3.83Å; L178-Y211 HydrophobicContact CB-CG 3.95Å; L178-Y211 HydrophobicContact CD1-CD1 3.84Å; L178-Y211 HydrophobicContact CD1-CD2 4.2Å; L178-Y211 HydrophobicContact CD1-CG 3.62Å; L178-Y211 HydrophobicContact CD2-CD1 4.04Å; L178-Y211 HydrophobicContact CD2-CE1 4.19Å; L178-Y211 HydrophobicContact CG-CD1 4.16Å; L178-Y211 HydrophobicContact CG-CE1 4.41Å; L178-Y211 HydrophobicContact CG-CG 4.27Å; L178-Y211 PolarHBondContact O-OH 2.82Å; Q179-Y211 HydrophobicContact CG-CE2 4.36Å; A207-Y211 WeakPolarHBondContact O-CB 3.2Å; A207-Y211 PolarHBondContact O-N 3.18Å; A207-Y211 VanDerWaalsContact O-N 3.07Å; I208-Y211 PolarHBondContact O-N 2.97Å; C209-Y211 PolarHBondContact O-N 3.27Å; Y211-N214 PolarHBondContact O-N 3.22Å; Y211-L215 HydrophobicContact CD1-CD1 3.89Å; Y211-L215 HydrophobicContact CD1-CG 4.35Å; Y211-L215 HydrophobicContact CE1-CD1 3.27Å; Y211-L215 HydrophobicContact CE1-CG 3.95Å; Y211-L215 PolarHBondContact O-N 3.02Å; Y211-Q229 HydrophobicContact CD1-CG 4.35Å; Y211-K232 PolarHBondContact OH-NZ 3.3Å |
| 212 | G | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I208 C209 S210 N214 L215 F216 | I208-G212 PolarHBondContact O-N 2.95Å; I208-G212 VanDerWaalsContact O-N 3.12Å; C209-G212 CarbonylContact O-C 3.43Å; C209-G212 WeakPolarHBondContact O-CA 3.42Å; C209-G212 PolarHBondContact O-N 3.43Å; S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 2.7Å; G212-N214 VanDerWaalsContact C-N 3.28Å; G212-N214 PolarHBondContact O-N 3.45Å; G212-L215 PolarHBondContact O-N 3.03Å; G212-L215 VanDerWaalsContact O-N 3.08Å; G212-F216 PolarHBondContact O-N 3.38Å; G212-F216 VanDerWaalsContact O-N 3.13Å |
| 213 | C | 93.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.1 | -42.8 | 175.6 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | C209 S210 L215 F216 D264 I267 | C209-C213 PolarHBondContact O-N 3.45Å; C209-C213 PolarHBondContact O-SG 2.82Å; S210-C213 WeakPolarHBondContact O-CB 3.39Å; S210-C213 PolarHBondContact O-N 2.79Å; C213-L215 VanDerWaalsContact C-N 3.26Å; C213-L215 PolarHBondContact O-N 3.48Å; C213-F216 PolarHBondContact O-N 2.87Å; C213-D264 WeakPolarHBondContact SG-CA 3.32Å; C213-I267 HydrophobicContact CB-CD1 4.38Å |
| 214 | N | 91.9 | Very high | 91.6 | Very high | 129 Ų | 129 | 52.2 Ų | 52.2 | 69% | 0.69 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67 | -25.8 | 178.9 | -67 | -22 | 0 | 0 | 0 | 113.2 | S210 Y211 G212 | S210-N214 VanDerWaalsContact O-CG 3.29Å; S210-N214 PolarHBondContact O-N 3.5Å; S210-N214 VanDerWaalsContact O-N 3.08Å; S210-N214 PolarHBondContact O-ND2 2.85Å; Y211-N214 PolarHBondContact O-N 3.22Å; G212-N214 VanDerWaalsContact C-N 3.28Å; G212-N214 PolarHBondContact O-N 3.45Å |
| 215 | L | 89.6 | Confident | 91.8 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 41% | 0.414 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -85.6 | -14.6 | 175.4 | -71.2 | -176.9 | 0 | 0 | 0 | 113.4 | Y211 G212 C213 T217 | Y211-L215 HydrophobicContact CD1-CD1 3.89Å; Y211-L215 HydrophobicContact CD1-CG 4.35Å; Y211-L215 HydrophobicContact CE1-CD1 3.27Å; Y211-L215 HydrophobicContact CE1-CG 3.95Å; Y211-L215 PolarHBondContact O-N 3.02Å; G212-L215 PolarHBondContact O-N 3.03Å; G212-L215 VanDerWaalsContact O-N 3.08Å; C213-L215 VanDerWaalsContact C-N 3.26Å; C213-L215 PolarHBondContact O-N 3.48Å; L215-T217 PolarHBondContact O-N 3.15Å |
| 216 | F | 91.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 28% | 0.281 | 31% | 0.306 | S | S | . | . | trans | -78.7 | 108.5 | -175.5 | -177 | -113 | 0 | 0 | 0 | 111.2 | G212 C213 L222 I225 V263 | G212-F216 PolarHBondContact O-N 3.38Å; G212-F216 VanDerWaalsContact O-N 3.13Å; C213-F216 PolarHBondContact O-N 2.87Å; F216-L222 HydrophobicContact CD2-CD2 3.37Å; F216-L222 HydrophobicContact CD2-CG 4.36Å; F216-L222 HydrophobicContact CE2-CD2 3.48Å; F216-L222 VanDerWaalsContact CE2-CD2 3.48Å; F216-L222 HydrophobicContact CE2-CG 4.04Å; F216-L222 HydrophobicContact CG-CD2 3.99Å; F216-L222 HydrophobicContact CZ-CD2 4.18Å; F216-I225 HydrophobicContact CB-CD1 3.86Å; F216-I225 HydrophobicContact CD2-CD1 3.78Å; F216-I225 HydrophobicContact CG-CD1 4.32Å; F216-V263 HydrophobicContact CB-CG1 4.08Å; F216-V263 HydrophobicContact CD1-CB 4.47Å; F216-V263 HydrophobicContact CD1-CG1 3.57Å; F216-V263 HydrophobicContact CD1-CG2 4Å; F216-V263 HydrophobicContact CE1-CG1 4.21Å; F216-V263 HydrophobicContact CE1-CG2 4.1Å; F216-V263 HydrophobicContact CG-CG1 3.96Å | ||
| 217 | T | 87.7 | Confident | 91.9 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 65% | 0.65 | 31% | 0.312 | S | S | * | . | trans | -92.5 | -1.4 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | L215 E219 | L215-T217 PolarHBondContact O-N 3.15Å; T217-E219 VanDerWaalsContact C-N 3.28Å; T217-E219 PolarHBondContact O-N 2.97Å | ||
| 218 | G | 86.2 | Confident | 91.9 | Very high | 53 Ų | 53 | 58 Ų | 58 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 86.4 | -16.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 219 | E | 85.3 | Confident | 91.9 | Very high | 176 Ų | 176 | 58.1 Ų | 58.1 | 82% | 0.822 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -95.2 | -34.8 | -175.1 | -62.2 | -178.1 | 167.2 | 0 | 0 | 113.5 | T217 | T217-E219 VanDerWaalsContact C-N 3.28Å; T217-E219 PolarHBondContact O-N 2.97Å |
| 220 | S | 86.2 | Confident | 91.9 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -83.2 | 136.6 | 179.3 | 177 | 0 | 0 | 0 | 0 | 111 | L222 | S220-L222 PolarHBondContact O-N 2.85Š|
| 221 | P | 92.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | trans | -52.1 | 136.9 | 164.4 | -24.9 | 33.8 | 0 | 0 | 0 | 111.2 | C223 N224 | P221-C223 PolarHBondContact O-N 3.25Å; P221-N224 WeakPolarHBondContact O-CB 3.22Å; P221-N224 PolarHBondContact O-N 2.84Å; P221-N224 VanDerWaalsContact O-N 3.1Å | ||
| 222 | L | 93 | Very high | 91.9 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 179.5 | -67.6 | 172.8 | 0 | 0 | 0 | 112.3 | F216 S220 N224 I225 V226 D266 I267 E270 | F216-L222 HydrophobicContact CD2-CD2 3.37Å; F216-L222 HydrophobicContact CD2-CG 4.36Å; F216-L222 HydrophobicContact CE2-CD2 3.48Å; F216-L222 VanDerWaalsContact CE2-CD2 3.48Å; F216-L222 HydrophobicContact CE2-CG 4.04Å; F216-L222 HydrophobicContact CG-CD2 3.99Å; F216-L222 HydrophobicContact CZ-CD2 4.18Å; S220-L222 PolarHBondContact O-N 2.85Å; L222-N224 PolarHBondContact O-N 3.43Å; L222-I225 HydrophobicContact CD2-CD1 4.25Å; L222-I225 WeakPolarHBondContact O-CB 3.39Å; L222-I225 PolarHBondContact O-N 3.49Å; L222-V226 PolarHBondContact O-N 3.48Å; L222-D266 HydrophobicContact CD1-CB 3.45Å; L222-D266 VanDerWaalsContact CD1-CB 3.45Å; L222-I267 HydrophobicContact CD2-CD1 4.41Å; L222-I267 HydrophobicContact CD2-CG1 3.82Å; L222-E270 HydrophobicContact CB-CG 3.7Å; L222-E270 HydrophobicContact CD1-CG 4.36Å |
| 223 | C | 92.2 | Very high | 91.9 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -32.3 | 175.4 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | P221 V226 Q227 | P221-C223 PolarHBondContact O-N 3.25Å; C223-V226 PolarHBondContact O-N 2.9Å; C223-Q227 WeakPolarHBondContact O-CB 3.31Å; C223-Q227 VanDerWaalsContact O-CG 3.24Å; C223-Q227 WeakPolarHBondContact O-CG 3.34Å; C223-Q227 PolarHBondContact O-N 3.26Å |
| 224 | N | 93.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 63.7 Ų | 63.7 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 174.9 | -69.2 | -13 | 0 | 0 | 0 | 111.4 | P221 L222 Q227 N228 | P221-N224 WeakPolarHBondContact O-CB 3.22Å; P221-N224 PolarHBondContact O-N 2.84Å; P221-N224 VanDerWaalsContact O-N 3.1Å; L222-N224 PolarHBondContact O-N 3.43Å; N224-Q227 PolarHBondContact O-N 3Å; N224-N228 WeakPolarHBondContact O-CB 3.3Å; N224-N228 VanDerWaalsContact O-CG 3.23Å; N224-N228 PolarHBondContact O-N 3.38Å; N224-N228 PolarHBondContact O-ND2 3.38Å; N224-N228 VanDerWaalsContact O-ND2 3.15Å |
| 225 | I | 94.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 174.9 | -62.9 | 177.1 | 0 | 0 | 0 | 109.1 | F216 L222 Q227 N228 Q229 | F216-I225 HydrophobicContact CB-CD1 3.86Å; F216-I225 HydrophobicContact CD2-CD1 3.78Å; F216-I225 HydrophobicContact CG-CD1 4.32Å; L222-I225 HydrophobicContact CD2-CD1 4.25Å; L222-I225 WeakPolarHBondContact O-CB 3.39Å; L222-I225 PolarHBondContact O-N 3.49Å; I225-Q227 PolarHBondContact O-N 2.97Å; I225-N228 PolarHBondContact O-N 3.34Å; I225-Q229 HydrophobicContact CG2-CG 4.37Å; I225-Q229 VanDerWaalsContact O-CG 3.31Å; I225-Q229 WeakPolarHBondContact O-CG 3.46Å; I225-Q229 PolarHBondContact O-N 3.14Å |
| 226 | V | 94.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | L222 C223 N228 Q229 A230 E270 W271 A274 | L222-V226 PolarHBondContact O-N 3.48Å; C223-V226 PolarHBondContact O-N 2.9Å; V226-N228 PolarHBondContact O-N 3.09Å; V226-Q229 PolarHBondContact O-N 3.08Å; V226-A230 VanDerWaalsContact O-CB 3.29Å; V226-A230 WeakPolarHBondContact O-CB 3.37Å; V226-A230 PolarHBondContact O-N 3.45Å; V226-E270 HydrophobicContact CG2-CB 3.67Å; V226-W271 HydrophobicContact CG1-CD2 3.73Å; V226-W271 HydrophobicContact CG1-CE3 3.88Å; V226-W271 HydrophobicContact CG1-CG 4.15Å; V226-W271 HydrophobicContact CG1-CH2 4.43Å; V226-W271 HydrophobicContact CG1-CZ2 4.3Å; V226-W271 HydrophobicContact CG1-CZ3 4.23Å; V226-W271 HydrophobicContact CG2-CD2 4.4Å; V226-W271 HydrophobicContact CG2-CG 4.14Å; V226-A274 HydrophobicContact CG1-CB 3.92Å |
| 227 | Q | 93.5 | Very high | 92 | Very high | 110 Ų | 110 | 53.5 Ų | 53.5 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 176.3 | -75.6 | 175.7 | 6.6 | 0 | 0 | 112.2 | C223 N224 I225 A230 I231 | C223-Q227 WeakPolarHBondContact O-CB 3.31Å; C223-Q227 VanDerWaalsContact O-CG 3.24Å; C223-Q227 WeakPolarHBondContact O-CG 3.34Å; C223-Q227 PolarHBondContact O-N 3.26Å; N224-Q227 PolarHBondContact O-N 3Å; I225-Q227 PolarHBondContact O-N 2.97Å; Q227-A230 PolarHBondContact O-N 3.43Å; Q227-I231 WeakPolarHBondContact O-CG1 3.34Å; Q227-I231 PolarHBondContact O-N 3.26Å |
| 228 | N | 93.2 | Very high | 92.2 | Very high | 92 Ų | 92 | 51.3 Ų | 51.3 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.4 | -75.4 | -30.3 | 0 | 0 | 0 | 111.9 | N224 I225 V226 I231 K232 | N224-N228 WeakPolarHBondContact O-CB 3.3Å; N224-N228 VanDerWaalsContact O-CG 3.23Å; N224-N228 PolarHBondContact O-N 3.38Å; N224-N228 PolarHBondContact O-ND2 3.38Å; N224-N228 VanDerWaalsContact O-ND2 3.15Å; I225-N228 PolarHBondContact O-N 3.34Å; V226-N228 PolarHBondContact O-N 3.09Å; N228-I231 PolarHBondContact O-N 2.96Å; N228-K232 WeakPolarHBondContact O-CG 3.5Å; N228-K232 PolarHBondContact O-N 2.88Å |
| 229 | Q | 95.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.7 | -67.7 | -177.3 | -58 | 0 | 0 | 111.4 | L178 I208 Y211 I225 V226 I231 K232 L233 W271 | L178-Q229 HydrophobicContact CD2-CB 4.02Å; L178-Q229 HydrophobicContact CD2-CG 3.98Å; I208-Q229 PolarHBondContact O-NE2 2.87Å; Y211-Q229 HydrophobicContact CD1-CG 4.35Å; I225-Q229 HydrophobicContact CG2-CG 4.37Å; I225-Q229 VanDerWaalsContact O-CG 3.31Å; I225-Q229 WeakPolarHBondContact O-CG 3.46Å; I225-Q229 PolarHBondContact O-N 3.14Å; V226-Q229 PolarHBondContact O-N 3.08Å; Q229-I231 VanDerWaalsContact C-N 3.31Å; Q229-I231 PolarHBondContact O-N 3.47Å; Q229-K232 PolarHBondContact O-N 3.29Å; Q229-K232 VanDerWaalsContact O-N 3.08Å; Q229-L233 HydrophobicContact CB-CD1 4.39Å; Q229-L233 WeakPolarHBondContact O-CB 3.45Å; Q229-L233 VanDerWaalsContact O-CG 3.27Å; Q229-L233 WeakPolarHBondContact O-CG 3.5Å; Q229-L233 PolarHBondContact O-N 3.47Å; Q229-W271 HydrophobicContact CB-CH2 4.3Å; Q229-W271 HydrophobicContact CB-CZ2 3.6Å; Q229-W271 VanDerWaalsContact OE1-NE1 3.1Å |
| 230 | A | 95 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -36.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | V226 Q227 K232 L233 K234 F237 W271 I288 L289 | V226-A230 VanDerWaalsContact O-CB 3.29Å; V226-A230 WeakPolarHBondContact O-CB 3.37Å; V226-A230 PolarHBondContact O-N 3.45Å; Q227-A230 PolarHBondContact O-N 3.43Å; A230-K232 VanDerWaalsContact C-N 3.33Å; A230-K232 PolarHBondContact O-N 3.16Å; A230-L233 PolarHBondContact O-N 3.08Å; A230-K234 PolarHBondContact O-N 2.68Å; A230-F237 HydrophobicContact CB-CE2 4.36Å; A230-W271 HydrophobicContact CB-CH2 3.86Å; A230-W271 HydrophobicContact CB-CZ3 4.2Å; A230-I288 HydrophobicContact CB-CG2 3.66Å; A230-L289 HydrophobicContact CB-CD2 4.03Å |
| 231 | I | 93.7 | Very high | 92.9 | Very high | 95 Ų | 95 | 42.5 Ų | 42.5 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 172.7 | -66.5 | 163.9 | 0 | 0 | 0 | 110.6 | Q227 N228 Q229 K234 I288 | Q227-I231 WeakPolarHBondContact O-CG1 3.34Å; Q227-I231 PolarHBondContact O-N 3.26Å; N228-I231 PolarHBondContact O-N 2.96Å; Q229-I231 VanDerWaalsContact C-N 3.31Å; Q229-I231 PolarHBondContact O-N 3.47Å; I231-K234 WeakPolarHBondContact O-CG 3.25Å; I231-I288 HydrophobicContact CB-CD1 3.94Å; I231-I288 HydrophobicContact CD1-CD1 4.37Å; I231-I288 HydrophobicContact CG1-CD1 3.15Å |
| 232 | K | 93.5 | Very high | 92.7 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.9 | -32.4 | -176.9 | -67.2 | -176 | -178.2 | -178.6 | 0 | 112.9 | L177 L178 Y211 N228 Q229 A230 K234 P235 | L177-K232 WeakPolarHBondContact O-CB 3.49Å; L178-K232 HydrophobicContact CD2-CB 4.42Å; L178-K232 WeakPolarHBondContact O-CD 2.92Å; L178-K232 WeakPolarHBondContact O-CE 3.4Å; L178-K232 PolarHBondContact O-NZ 2.84Å; Y211-K232 PolarHBondContact OH-NZ 3.3Å; N228-K232 WeakPolarHBondContact O-CG 3.5Å; N228-K232 PolarHBondContact O-N 2.88Å; Q229-K232 PolarHBondContact O-N 3.29Å; Q229-K232 VanDerWaalsContact O-N 3.08Å; A230-K232 VanDerWaalsContact C-N 3.33Å; A230-K232 PolarHBondContact O-N 3.16Å; K232-K234 VanDerWaalsContact C-N 3.33Å; K232-K234 PolarHBondContact O-N 2.93Å; K232-P235 WeakPolarHBondContact O-CD 3.37Å |
| 233 | L | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 4 | -178.2 | -66.3 | 171.6 | 0 | 0 | 0 | 114.2 | I174 L177 L178 I208 Q229 A230 P235 L236 F237 W271 | I174-L233 HydrophobicContact CG2-CD2 4.32Å; L177-L233 HydrophobicContact CB-CD2 4.36Å; L177-L233 HydrophobicContact CD1-CD2 4.25Å; L178-L233 HydrophobicContact CD2-CD1 4.1Å; L178-L233 HydrophobicContact CD2-CD2 3.97Å; L178-L233 HydrophobicContact CD2-CG 3.84Å; L178-L233 HydrophobicContact CG-CD2 4.04Å; L178-L233 HydrophobicContact CG-CG 4.47Å; I208-L233 HydrophobicContact CD1-CD1 3.83Å; I208-L233 HydrophobicContact CG1-CD1 3.84Å; I208-L233 HydrophobicContact CG2-CD1 4.06Å; Q229-L233 HydrophobicContact CB-CD1 4.39Å; Q229-L233 WeakPolarHBondContact O-CB 3.45Å; Q229-L233 VanDerWaalsContact O-CG 3.27Å; Q229-L233 WeakPolarHBondContact O-CG 3.5Å; Q229-L233 PolarHBondContact O-N 3.47Å; A230-L233 PolarHBondContact O-N 3.08Å; L233-P235 VanDerWaalsContact C-CD 3.41Å; L233-P235 VanDerWaalsContact C-N 3.3Å; L233-L236 HydrophobicContact CD2-CD2 4.02Å; L233-L236 WeakPolarHBondContact O-CA 3.29Å; L233-L236 WeakPolarHBondContact O-CB 3.46Å; L233-L236 PolarHBondContact O-N 2.88Å; L233-F237 HydrophobicContact CB-CD2 4.27Å; L233-F237 HydrophobicContact CB-CE1 4.09Å; L233-F237 HydrophobicContact CB-CE2 3.68Å; L233-F237 HydrophobicContact CB-CZ 3.58Å; L233-F237 HydrophobicContact CD1-CE1 4.5Å; L233-F237 HydrophobicContact CD1-CZ 3.96Å; L233-F237 HydrophobicContact CG-CZ 4.44Å; L233-F237 WeakPolarHBondContact O-CG 3.33Å; L233-F237 PolarHBondContact O-N 2.84Å; L233-W271 HydrophobicContact CD1-CH2 4Å; L233-W271 HydrophobicContact CD1-CZ2 4Å |
| 234 | K | 92.8 | Very high | 92.4 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -47.1 | -44.5 | 175.3 | -73.9 | -169.5 | 178.3 | -166.7 | 0 | 114 | A230 I231 K232 L236 F237 S238 Y292 | A230-K234 PolarHBondContact O-N 2.68Å; I231-K234 WeakPolarHBondContact O-CG 3.25Å; K232-K234 VanDerWaalsContact C-N 3.33Å; K232-K234 PolarHBondContact O-N 2.93Å; K234-L236 VanDerWaalsContact C-N 3.34Å; K234-L236 PolarHBondContact O-N 3.48Å; K234-F237 PolarHBondContact O-N 3.38Å; K234-S238 PolarHBondContact O-N 3.3Å; K234-S238 PolarHBondContact O-OG 3.4Å; K234-S238 VanDerWaalsContact O-OG 3.11Å; K234-Y292 WeakPolarHBondContact CB-OH 3.42Å; K234-Y292 VanDerWaalsContact CG-OH 3.29Å; K234-Y292 WeakPolarHBondContact CG-OH 3.31Å |
| 235 | P | 91.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.3 | -24.1 | 36.7 | 0 | 0 | 0 | 113.4 | L177 K232 L233 T239 | L177-P235 HydrophobicContact CD1-CB 4.42Å; L177-P235 HydrophobicContact CD2-CB 4.17Å; L177-P235 HydrophobicContact CD2-CG 3.95Å; K232-P235 WeakPolarHBondContact O-CD 3.37Å; L233-P235 VanDerWaalsContact C-CD 3.41Å; L233-P235 VanDerWaalsContact C-N 3.3Å; P235-T239 PolarHBondContact O-N 2.63Å; P235-T239 VanDerWaalsContact O-N 3.12Å; P235-T239 PolarHBondContact O-OG1 2.77Å |
| 236 | L | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -51 | 174.6 | 174.8 | 67.5 | 0 | 0 | 0 | 110.1 | Y173 I174 L177 F192 I204 I208 L233 K234 S238 T239 M240 | Y173-L236 HydrophobicContact CE1-CB 4.36Å; Y173-L236 HydrophobicContact CE1-CD1 4.3Å; I174-L236 HydrophobicContact CG1-CD2 4.32Å; L177-L236 HydrophobicContact CD1-CB 3.97Å; F192-L236 HydrophobicContact CE1-CD1 4.45Å; F192-L236 HydrophobicContact CE2-CD1 3.82Å; F192-L236 HydrophobicContact CZ-CD1 3.44Å; F192-L236 VanDerWaalsContact CZ-CD1 3.44Å; I204-L236 HydrophobicContact CG2-CD2 4.25Å; I208-L236 HydrophobicContact CD1-CD2 4.38Å; L233-L236 HydrophobicContact CD2-CD2 4.02Å; L233-L236 WeakPolarHBondContact O-CA 3.29Å; L233-L236 WeakPolarHBondContact O-CB 3.46Å; L233-L236 PolarHBondContact O-N 2.88Å; K234-L236 VanDerWaalsContact C-N 3.34Å; K234-L236 PolarHBondContact O-N 3.48Å; L236-S238 PolarHBondContact O-N 2.84Å; L236-T239 WeakPolarHBondContact O-CB 3.47Å; L236-T239 PolarHBondContact O-N 3.3Å; L236-T239 VanDerWaalsContact O-N 3.14Å; L236-M240 HydrophobicContact CD1-CG 4.21Å; L236-M240 HydrophobicContact CD1-SD 4Å; L236-M240 HydrophobicContact CG-CG 4.46Å; L236-M240 HydrophobicContact CG-SD 3.99Å; L236-M240 WeakPolarHBondContact O-CG 3.21Å; L236-M240 PolarHBondContact O-N 3.43Å |
| 237 | F | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | -178.3 | -57.7 | -30.5 | 0 | 0 | 0 | 112.8 | A230 L233 K234 T239 M240 L241 L249 W271 W275 L289 Y292 | A230-F237 HydrophobicContact CB-CE2 4.36Å; L233-F237 HydrophobicContact CB-CD2 4.27Å; L233-F237 HydrophobicContact CB-CE1 4.09Å; L233-F237 HydrophobicContact CB-CE2 3.68Å; L233-F237 HydrophobicContact CB-CZ 3.58Å; L233-F237 HydrophobicContact CD1-CE1 4.5Å; L233-F237 HydrophobicContact CD1-CZ 3.96Å; L233-F237 HydrophobicContact CG-CZ 4.44Å; L233-F237 WeakPolarHBondContact O-CG 3.33Å; L233-F237 PolarHBondContact O-N 2.84Å; K234-F237 PolarHBondContact O-N 3.38Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 PolarHBondContact O-N 2.71Å; F237-M240 PolarHBondContact O-N 3.06Å; F237-L241 VanDerWaalsContact O-CB 3.27Å; F237-L241 WeakPolarHBondContact O-CB 3.38Å; F237-L241 PolarHBondContact O-N 3.32Å; F237-L249 HydrophobicContact CD1-CD2 4Å; F237-L249 HydrophobicContact CE1-CD2 3.79Å; F237-W271 HydrophobicContact CE2-CH2 4.25Å; F237-W271 HydrophobicContact CE2-CZ3 4.31Å; F237-W271 AromaticContact CZ-CH2 3.74Å; F237-W271 HydrophobicContact CZ-CH2 3.74Å; F237-W271 AromaticContact CZ-CZ3 3.8Å; F237-W271 HydrophobicContact CZ-CZ3 3.8Å; F237-W275 HydrophobicContact CD1-CH2 4.36Å; F237-W275 HydrophobicContact CD1-CZ2 4.16Å; F237-W275 AromaticContact CE1-CZ2 3.91Å; F237-W275 HydrophobicContact CE1-CZ2 3.91Å; F237-W275 HydrophobicContact CE2-CZ2 4.4Å; F237-W275 HydrophobicContact CG-CH2 4.38Å; F237-W275 HydrophobicContact CZ-CZ2 4.04Å; F237-L289 HydrophobicContact CD2-CD2 3.93Å; F237-L289 HydrophobicContact CE2-CD2 3.6Å; F237-L289 HydrophobicContact CZ-CD2 4.39Å; F237-Y292 HydrophobicContact CB-CD1 3.66Å; F237-Y292 HydrophobicContact CB-CD2 3.95Å; F237-Y292 HydrophobicContact CB-CE1 3.74Å; F237-Y292 HydrophobicContact CB-CE2 4.04Å; F237-Y292 HydrophobicContact CB-CG 3.78Å; F237-Y292 HydrophobicContact CD2-CD2 4.16Å; F237-Y292 HydrophobicContact CD2-CE2 4.06Å; F237-Y292 HydrophobicContact CG-CD2 4.44Å |
| 238 | S | 91.3 | Very high | 92 | Very high | 61 Ų | 61 | 49 Ų | 49 | 43% | 0.427 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 173.1 | -65 | 0 | 0 | 0 | 0 | 112.1 | K234 L236 L241 Y242 | K234-S238 PolarHBondContact O-N 3.3Å; K234-S238 PolarHBondContact O-OG 3.4Å; K234-S238 VanDerWaalsContact O-OG 3.11Å; L236-S238 PolarHBondContact O-N 2.84Å; S238-L241 PolarHBondContact O-N 3.09Å; S238-Y242 PolarHBondContact O-N 3.49Å; S238-Y242 VanDerWaalsContact O-N 3.07Å |
| 239 | T | 90 | Very high | 92.1 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 15% | 0.153 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | M188 F192 P235 L236 F237 L241 Y242 H243 | M188-T239 HydrophobicContact CB-CG2 4.22Å; F192-T239 HydrophobicContact CB-CG2 4.42Å; F192-T239 HydrophobicContact CD2-CG2 3.5Å; F192-T239 HydrophobicContact CE2-CG2 4.16Å; F192-T239 HydrophobicContact CG-CG2 4.24Å; P235-T239 PolarHBondContact O-N 2.63Å; P235-T239 VanDerWaalsContact O-N 3.12Å; P235-T239 PolarHBondContact O-OG1 2.77Å; L236-T239 WeakPolarHBondContact O-CB 3.47Å; L236-T239 PolarHBondContact O-N 3.3Å; L236-T239 VanDerWaalsContact O-N 3.14Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 PolarHBondContact O-N 2.71Å; T239-L241 VanDerWaalsContact C-N 3.34Å; T239-L241 PolarHBondContact O-N 3.16Å; T239-Y242 WeakPolarHBondContact O-CB 3.36Å; T239-Y242 PolarHBondContact O-N 2.9Å; T239-H243 PolarHBondContact O-CD2 3.29Å; T239-H243 PolarHBondContact O-N 3.45Å |
| 240 | M | 91.1 | Very high | 92 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.8 | -65.5 | -174.7 | 78.3 | 0 | 0 | 112.7 | F192 F201 L236 F237 H243 K244 L245 V246 L249 | F192-M240 HydrophobicContact CD1-CG 4.24Å; F192-M240 HydrophobicContact CE1-CE 4.39Å; F192-M240 HydrophobicContact CE1-CG 3.95Å; F192-M240 HydrophobicContact CE1-SD 4.33Å; F192-M240 HydrophobicContact CZ-CG 4.18Å; F201-M240 HydrophobicContact CD1-CE 4.02Å; F201-M240 HydrophobicContact CE1-CE 3.23Å; F201-M240 HydrophobicContact CZ-CE 3.85Å; L236-M240 HydrophobicContact CD1-CG 4.21Å; L236-M240 HydrophobicContact CD1-SD 4Å; L236-M240 HydrophobicContact CG-CG 4.46Å; L236-M240 HydrophobicContact CG-SD 3.99Å; L236-M240 WeakPolarHBondContact O-CG 3.21Å; L236-M240 PolarHBondContact O-N 3.43Å; F237-M240 PolarHBondContact O-N 3.06Å; M240-H243 CarbonylContact O-C 3.34Å; M240-H243 PolarHBondContact O-N 2.87Å; M240-K244 PolarHBondContact O-N 3.4Å; M240-L245 HydrophobicContact CB-CB 4.17Å; M240-L245 HydrophobicContact CE-CB 4Å; M240-L245 PolarHBondContact O-N 3.07Å; M240-V246 HydrophobicContact CB-CG2 4.13Å; M240-L249 HydrophobicContact CE-CB 3.72Å; M240-L249 HydrophobicContact CE-CD1 3.9Å; M240-L249 HydrophobicContact CE-CD2 4.23Å; M240-L249 HydrophobicContact CE-CG 4.16Å; M240-L249 HydrophobicContact SD-CD1 4.15Å; M240-L249 HydrophobicContact SD-CD2 3.93Å; M240-L249 HydrophobicContact SD-CG 4.43Å |
| 241 | L | 90.8 | Very high | 92 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 31% | 0.314 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62 | -46.3 | 174.3 | -179.9 | 65.3 | 0 | 0 | 0 | 111 | F237 S238 T239 H243 K244 V246 Y292 | F237-L241 VanDerWaalsContact O-CB 3.27Å; F237-L241 WeakPolarHBondContact O-CB 3.38Å; F237-L241 PolarHBondContact O-N 3.32Å; S238-L241 PolarHBondContact O-N 3.09Å; T239-L241 VanDerWaalsContact C-N 3.34Å; T239-L241 PolarHBondContact O-N 3.16Å; L241-H243 PolarHBondContact O-N 2.83Å; L241-K244 PolarHBondContact O-N 3Å; L241-V246 HydrophobicContact CB-CG2 4.03Å; L241-V246 HydrophobicContact CD1-CG2 4.35Å; L241-Y292 HydrophobicContact CB-CD1 4.5Å; L241-Y292 HydrophobicContact CD2-CD1 4.21Å |
| 242 | Y | 89.3 | Confident | 92.1 | Very high | 171 Ų | 171 | 42 Ų | 42 | 67% | 0.671 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -56.1 | -38.9 | 175.7 | 177.2 | -97.7 | 0 | 0 | 0 | 112.2 | S238 T239 | S238-Y242 PolarHBondContact O-N 3.49Å; S238-Y242 VanDerWaalsContact O-N 3.07Å; T239-Y242 WeakPolarHBondContact O-CB 3.36Å; T239-Y242 PolarHBondContact O-N 2.9Å |
| 243 | H | 88.9 | Confident | 92.3 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 21% | 0.213 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.4 | 177 | -68.3 | -77.1 | 0 | 0 | 0 | 114.6 | K189 F192 T239 M240 L241 L245 | K189-H243 PolarHBondContact O-CE1 3.4Å; K189-H243 PolarHBondContact O-NE2 3.39Å; F192-H243 HydrophobicContact CB-CB 4.43Å; F192-H243 VanDerWaalsContact CB-CD2 3.41Å; F192-H243 WeakPolarHBondContact CB-CD2 3.31Å; F192-H243 PolarHBondContact O-ND1 3.01Å; T239-H243 PolarHBondContact O-CD2 3.29Å; T239-H243 PolarHBondContact O-N 3.45Å; M240-H243 CarbonylContact O-C 3.34Å; M240-H243 PolarHBondContact O-N 2.87Å; L241-H243 PolarHBondContact O-N 2.83Å; H243-L245 VanDerWaalsContact C-N 3.27Å; H243-L245 HydrophobicContact CB-CD1 3.75Å; H243-L245 HydrophobicContact CB-CG 3.82Å; H243-L245 PolarHBondContact O-N 3.04Å |
| 244 | K | 90.1 | Very high | 92.3 | Very high | 191 Ų | 191 | 38.5 Ų | 38.5 | 83% | 0.83 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 34.5 | -176.1 | -55.4 | -177.3 | 178.6 | -177.8 | 0 | 114.2 | M240 L241 | M240-K244 PolarHBondContact O-N 3.4Å; L241-K244 PolarHBondContact O-N 3Å |
| 245 | L | 91 | Very high | 92.5 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | trans | -100.5 | -4.7 | -174.6 | -68 | 179.2 | 0 | 0 | 0 | 114.4 | F192 T197 Y198 F201 M240 H243 G247 E248 L249 | F192-L245 HydrophobicContact CB-CD1 4.13Å; F192-L245 HydrophobicContact CD1-CD1 3.76Å; F192-L245 HydrophobicContact CG-CD1 4.38Å; T197-L245 HydrophobicContact CG2-CD1 3.82Å; Y198-L245 HydrophobicContact CE2-CD2 4.48Å; F201-L245 HydrophobicContact CZ-CB 4.01Å; F201-L245 HydrophobicContact CZ-CD1 4.44Å; F201-L245 HydrophobicContact CZ-CD2 4.19Å; F201-L245 HydrophobicContact CZ-CG 4.43Å; M240-L245 HydrophobicContact CB-CB 4.17Å; M240-L245 HydrophobicContact CE-CB 4Å; M240-L245 PolarHBondContact O-N 3.07Å; H243-L245 VanDerWaalsContact C-N 3.27Å; H243-L245 HydrophobicContact CB-CD1 3.75Å; H243-L245 HydrophobicContact CB-CG 3.82Å; H243-L245 PolarHBondContact O-N 3.04Å; L245-G247 VanDerWaalsContact C-N 3.32Å; L245-G247 PolarHBondContact O-N 3.01Å; L245-E248 PolarHBondContact O-N 2.68Å; L245-L249 PolarHBondContact O-N 3.36Å; L245-L249 VanDerWaalsContact O-N 3.07Å | ||
| 246 | V | 92.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | -176.4 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | M240 L241 E248 L249 V250 W275 L296 | M240-V246 HydrophobicContact CB-CG2 4.13Å; L241-V246 HydrophobicContact CB-CG2 4.03Å; L241-V246 HydrophobicContact CD1-CG2 4.35Å; V246-E248 VanDerWaalsContact C-N 3.31Å; V246-E248 PolarHBondContact O-N 2.78Å; V246-L249 WeakPolarHBondContact O-CB 3.25Å; V246-L249 PolarHBondContact O-N 3.07Å; V246-L249 VanDerWaalsContact O-N 3.14Å; V246-V250 HydrophobicContact CG1-CG2 4.45Å; V246-V250 WeakPolarHBondContact O-CG2 3.45Å; V246-V250 PolarHBondContact O-N 3.42Å; V246-W275 HydrophobicContact CG1-CE3 4.42Å; V246-W275 HydrophobicContact CG1-CH2 3.65Å; V246-W275 HydrophobicContact CG1-CZ2 4.42Å; V246-W275 HydrophobicContact CG1-CZ3 3.64Å; V246-L296 HydrophobicContact CB-CD1 4.2Å; V246-L296 HydrophobicContact CG1-CD1 3.72Å |
| 247 | G | 92.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 35 Ų | 35 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L245 V250 L251 S297 L298 | L245-G247 VanDerWaalsContact C-N 3.32Å; L245-G247 PolarHBondContact O-N 3.01Å; G247-V250 PolarHBondContact O-N 2.97Å; G247-L251 PolarHBondContact O-N 2.99Å; G247-S297 WeakPolarHBondContact CA-O 3.41Å; G247-L298 WeakPolarHBondContact O-CD1 3.32Å |
| 248 | E | 91.5 | Very high | 92.8 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 174.2 | -171.8 | 62.7 | -147.7 | 0 | 0 | 111.3 | Y198 F201 L245 V246 V250 L251 Q252 | Y198-E248 HydrophobicContact CD1-CG 3.82Å; Y198-E248 HydrophobicContact CE1-CB 4.31Å; Y198-E248 HydrophobicContact CE1-CG 3.78Å; F201-E248 HydrophobicContact CD1-CG 4.26Å; F201-E248 HydrophobicContact CD2-CG 4.17Å; F201-E248 HydrophobicContact CE1-CB 3.86Å; F201-E248 HydrophobicContact CE1-CG 3.89Å; F201-E248 HydrophobicContact CE2-CB 4.36Å; F201-E248 HydrophobicContact CE2-CG 3.81Å; F201-E248 HydrophobicContact CG-CG 4.36Å; F201-E248 HydrophobicContact CZ-CB 3.71Å; F201-E248 HydrophobicContact CZ-CG 3.64Å; L245-E248 PolarHBondContact O-N 2.68Å; V246-E248 VanDerWaalsContact C-N 3.31Å; V246-E248 PolarHBondContact O-N 2.78Å; E248-V250 VanDerWaalsContact C-N 3.32Å; E248-V250 PolarHBondContact O-N 3.19Å; E248-L251 WeakPolarHBondContact O-CB 3.34Å; E248-L251 PolarHBondContact O-N 3.34Å; E248-Q252 HydrophobicContact CG-CG 4.29Å; E248-Q252 WeakPolarHBondContact O-CB 3.36Å; E248-Q252 WeakPolarHBondContact O-CG 3.47Å; E248-Q252 PolarHBondContact O-N 2.87Å; E248-Q252 PolarHBondContact OE1-NE2 3.47Å |
| 249 | L | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.9 | -48.1 | 174.9 | -176.2 | 73.5 | 0 | 0 | 0 | 111.3 | F201 I204 I205 F237 M240 L245 V246 Q252 F253 W275 | F201-L249 HydrophobicContact CD1-CB 4.21Å; F201-L249 HydrophobicContact CD1-CD1 4.08Å; F201-L249 HydrophobicContact CE1-CB 3.94Å; F201-L249 HydrophobicContact CE1-CD1 4.44Å; I204-L249 HydrophobicContact CG2-CD1 4.09Å; I205-L249 HydrophobicContact CD1-CD1 3.38Å; I205-L249 HydrophobicContact CD1-CG 4.2Å; F237-L249 HydrophobicContact CD1-CD2 4Å; F237-L249 HydrophobicContact CE1-CD2 3.79Å; M240-L249 HydrophobicContact CE-CB 3.72Å; M240-L249 HydrophobicContact CE-CD1 3.9Å; M240-L249 HydrophobicContact CE-CD2 4.23Å; M240-L249 HydrophobicContact CE-CG 4.16Å; M240-L249 HydrophobicContact SD-CD1 4.15Å; M240-L249 HydrophobicContact SD-CD2 3.93Å; M240-L249 HydrophobicContact SD-CG 4.43Å; L245-L249 PolarHBondContact O-N 3.36Å; L245-L249 VanDerWaalsContact O-N 3.07Å; V246-L249 WeakPolarHBondContact O-CB 3.25Å; V246-L249 PolarHBondContact O-N 3.07Å; V246-L249 VanDerWaalsContact O-N 3.14Å; L249-Q252 PolarHBondContact O-N 2.93Å; L249-F253 HydrophobicContact CD1-CE2 4.21Å; L249-F253 HydrophobicContact CD2-CE2 4.35Å; L249-F253 HydrophobicContact CG-CD2 4.18Å; L249-F253 HydrophobicContact CG-CE2 3.98Å; L249-F253 WeakPolarHBondContact O-CD2 3.35Å; L249-F253 PolarHBondContact O-N 2.83Å; L249-W275 HydrophobicContact CD2-CZ2 3.86Å |
| 250 | V | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 178 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | V246 G247 E248 Q252 F253 I254 W275 I276 L296 L298 | V246-V250 HydrophobicContact CG1-CG2 4.45Å; V246-V250 WeakPolarHBondContact O-CG2 3.45Å; V246-V250 PolarHBondContact O-N 3.42Å; G247-V250 PolarHBondContact O-N 2.97Å; E248-V250 VanDerWaalsContact C-N 3.32Å; E248-V250 PolarHBondContact O-N 3.19Å; V250-Q252 VanDerWaalsContact C-N 3.31Å; V250-Q252 PolarHBondContact O-N 3.23Å; V250-F253 PolarHBondContact O-N 3.17Å; V250-I254 HydrophobicContact CG1-CD1 4.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.31Å; V250-I254 PolarHBondContact O-N 2.8Å; V250-W275 HydrophobicContact CG1-CB 4.01Å; V250-W275 HydrophobicContact CG1-CG 4.39Å; V250-W275 HydrophobicContact CG2-CB 3.92Å; V250-W275 HydrophobicContact CG2-CD2 3.52Å; V250-W275 HydrophobicContact CG2-CE3 3.82Å; V250-W275 HydrophobicContact CG2-CG 3.58Å; V250-I276 HydrophobicContact CG1-CD1 4.26Å; V250-L296 HydrophobicContact CG2-CD1 4.17Å; V250-L298 HydrophobicContact CB-CD1 4.3Å; V250-L298 HydrophobicContact CG1-CD1 4.15Å; V250-L298 HydrophobicContact CG1-CD2 4.43Å |
| 251 | L | 94.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -45 | 176.2 | -178 | 62.1 | 0 | 0 | 0 | 111.3 | G247 E248 F253 I254 L255 L298 D299 K302 A303 | G247-L251 PolarHBondContact O-N 2.99Å; E248-L251 WeakPolarHBondContact O-CB 3.34Å; E248-L251 PolarHBondContact O-N 3.34Å; L251-F253 PolarHBondContact O-N 3.35Å; L251-I254 WeakPolarHBondContact O-CB 3.4Å; L251-I254 PolarHBondContact O-N 2.79Å; L251-I254 VanDerWaalsContact O-N 3.08Å; L251-L255 HydrophobicContact CD1-CD1 4.3Å; L251-L255 HydrophobicContact CD1-CD2 4.43Å; L251-L255 HydrophobicContact CD1-CG 4.13Å; L251-L255 HydrophobicContact CD2-CD1 4.4Å; L251-L255 HydrophobicContact CG-CD1 3.92Å; L251-L255 HydrophobicContact CG-CG 4.14Å; L251-L255 WeakPolarHBondContact O-CG 3.38Å; L251-L255 PolarHBondContact O-N 3.03Å; L251-L298 HydrophobicContact CB-CD1 3.87Å; L251-L298 HydrophobicContact CD1-CD1 4.43Å; L251-D299 HydrophobicContact CD1-CB 4.49Å; L251-D299 HydrophobicContact CD2-CB 3.88Å; L251-K302 HydrophobicContact CD1-CB 4.11Å; L251-A303 HydrophobicContact CD1-CB 3.98Å |
| 252 | Q | 95.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 57 Ų | 57 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -30.5 | -178 | -66.4 | -65.9 | -32.9 | 0 | 0 | 113.1 | F201 I205 E248 L249 V250 G256 | F201-Q252 HydrophobicContact CB-CB 4.13Å; F201-Q252 HydrophobicContact CB-CG 3.71Å; F201-Q252 HydrophobicContact CD1-CG 4.33Å; F201-Q252 HydrophobicContact CG-CG 4.16Å; I205-Q252 HydrophobicContact CG1-CB 4.17Å; E248-Q252 HydrophobicContact CG-CG 4.29Å; E248-Q252 WeakPolarHBondContact O-CB 3.36Å; E248-Q252 WeakPolarHBondContact O-CG 3.47Å; E248-Q252 PolarHBondContact O-N 2.87Å; E248-Q252 PolarHBondContact OE1-NE2 3.47Å; L249-Q252 PolarHBondContact O-N 2.93Å; V250-Q252 VanDerWaalsContact C-N 3.31Å; V250-Q252 PolarHBondContact O-N 3.23Å; Q252-G256 PolarHBondContact O-N 2.89Å; Q252-G256 VanDerWaalsContact O-N 3.09Å |
| 253 | F | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 166.7 | -87.3 | -71.3 | 0 | 0 | 0 | 111.3 | I205 I208 L249 V250 L251 G256 W271 W275 | I205-F253 HydrophobicContact CD1-CD1 4Å; I205-F253 HydrophobicContact CD1-CD2 3.45Å; I205-F253 VanDerWaalsContact CD1-CD2 3.45Å; I205-F253 HydrophobicContact CD1-CE1 3.88Å; I205-F253 HydrophobicContact CD1-CE2 3.31Å; I205-F253 HydrophobicContact CD1-CG 3.8Å; I205-F253 HydrophobicContact CD1-CZ 3.54Å; I205-F253 HydrophobicContact CG1-CG 4.49Å; I205-F253 HydrophobicContact CG2-CD1 3.65Å; I205-F253 HydrophobicContact CG2-CE1 3.73Å; I205-F253 HydrophobicContact CG2-CG 4.31Å; I205-F253 HydrophobicContact CG2-CZ 4.45Å; I208-F253 HydrophobicContact CD1-CZ 4.25Å; I208-F253 HydrophobicContact CG2-CZ 4.28Å; L249-F253 HydrophobicContact CD1-CE2 4.21Å; L249-F253 HydrophobicContact CD2-CE2 4.35Å; L249-F253 HydrophobicContact CG-CD2 4.18Å; L249-F253 HydrophobicContact CG-CE2 3.98Å; L249-F253 WeakPolarHBondContact O-CD2 3.35Å; L249-F253 PolarHBondContact O-N 2.83Å; V250-F253 PolarHBondContact O-N 3.17Å; L251-F253 PolarHBondContact O-N 3.35Å; F253-G256 PolarHBondContact O-N 3.27Å; F253-W271 HydrophobicContact CD1-CB 3.63Å; F253-W271 HydrophobicContact CD1-CG 4.08Å; F253-W271 HydrophobicContact CE1-CB 3.52Å; F253-W271 AromaticContact CE1-CD1 3.68Å; F253-W271 AromaticContact CE1-CD2 4Å; F253-W271 HydrophobicContact CE1-CD2 4Å; F253-W271 AromaticContact CE1-CG 3.43Å; F253-W271 HydrophobicContact CE1-CG 3.43Å; F253-W271 VanDerWaalsContact CE1-CG 3.43Å; F253-W271 HydrophobicContact CE2-CD2 4.4Å; F253-W271 HydrophobicContact CE2-CE3 4.36Å; F253-W271 HydrophobicContact CG-CB 4.2Å; F253-W271 HydrophobicContact CZ-CB 4.01Å; F253-W271 AromaticContact CZ-CD2 3.72Å; F253-W271 HydrophobicContact CZ-CD2 3.72Å; F253-W271 HydrophobicContact CZ-CE3 4.1Å; F253-W271 AromaticContact CZ-CG 3.68Å; F253-W271 HydrophobicContact CZ-CG 3.68Å; F253-W275 AromaticContact CD2-NE1 3.84Å; F253-W275 AromaticContact CE2-NE1 3.7Å |
| 254 | I | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -47.8 | -179.9 | -64.5 | 169.1 | 0 | 0 | 0 | 111.1 | V250 L251 G256 L257 C272 A303 H306 I307 L322 | V250-I254 HydrophobicContact CG1-CD1 4.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.31Å; V250-I254 PolarHBondContact O-N 2.8Å; L251-I254 WeakPolarHBondContact O-CB 3.4Å; L251-I254 PolarHBondContact O-N 2.79Å; L251-I254 VanDerWaalsContact O-N 3.08Å; I254-G256 PolarHBondContact O-N 3.39Å; I254-G256 VanDerWaalsContact O-N 3.15Å; I254-L257 WeakPolarHBondContact O-CB 3.23Å; I254-L257 WeakPolarHBondContact O-CG 3.41Å; I254-L257 PolarHBondContact O-N 3.06Å; I254-L257 VanDerWaalsContact O-N 3.09Å; I254-C272 HydrophobicContact CG1-CB 4.37Å; I254-A303 HydrophobicContact CD1-CB 3.91Å; I254-A303 HydrophobicContact CG2-CB 4.16Å; I254-H306 PolarHBondContact O-CD2 3.29Å; I254-H306 PolarHBondContact O-NE2 3.01Å; I254-I307 HydrophobicContact CG2-CD1 3.82Å; I254-I307 HydrophobicContact CG2-CG1 3.72Å; I254-L322 HydrophobicContact CD1-CD1 4.38Å |
| 255 | L | 95.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 29% | 0.293 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.2 | -17 | 177.7 | -64.3 | -177.6 | 0 | 0 | 0 | 112.9 | L251 L257 H306 | L251-L255 HydrophobicContact CD1-CD1 4.3Å; L251-L255 HydrophobicContact CD1-CD2 4.43Å; L251-L255 HydrophobicContact CD1-CG 4.13Å; L251-L255 HydrophobicContact CD2-CD1 4.4Å; L251-L255 HydrophobicContact CG-CD1 3.92Å; L251-L255 HydrophobicContact CG-CG 4.14Å; L251-L255 WeakPolarHBondContact O-CG 3.38Å; L251-L255 PolarHBondContact O-N 3.03Å; L255-L257 VanDerWaalsContact C-N 3.35Å; L255-H306 HydrophobicContact CD2-CB 3.58Å; L255-H306 PolarHBondContact O-CE1 3.48Å; L255-H306 PolarHBondContact O-NE2 2.91Å |
| 256 | G | 94.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q252 F253 I254 R268 | Q252-G256 PolarHBondContact O-N 2.89Å; Q252-G256 VanDerWaalsContact O-N 3.09Å; F253-G256 PolarHBondContact O-N 3.27Å; I254-G256 PolarHBondContact O-N 3.39Å; I254-G256 VanDerWaalsContact O-N 3.15Å; G256-R268 WeakPolarHBondContact O-CD 3.47Å |
| 257 | L | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -71.8 | 131.7 | 178.7 | -65.6 | 175.4 | 0 | 0 | 0 | 111 | I254 L255 D265 R268 L269 H306 Y315 L318 | I254-L257 WeakPolarHBondContact O-CB 3.23Å; I254-L257 WeakPolarHBondContact O-CG 3.41Å; I254-L257 PolarHBondContact O-N 3.06Å; I254-L257 VanDerWaalsContact O-N 3.09Å; L255-L257 VanDerWaalsContact C-N 3.35Å; L257-D265 WeakPolarHBondContact CA-OD1 3.46Å; L257-R268 HydrophobicContact CD2-CB 3.78Å; L257-L269 HydrophobicContact CD2-CB 4.12Å; L257-H306 PolarHBondContact O-NE2 3.48Å; L257-Y315 HydrophobicContact CB-CE1 4.47Å; L257-Y315 HydrophobicContact CB-CE2 4.02Å; L257-Y315 HydrophobicContact CD1-CE1 4.36Å; L257-Y315 HydrophobicContact CD2-CE1 4Å; L257-L318 HydrophobicContact CD1-CD2 3.54Å | ||
| 258 | R | 92.3 | Very high | 93.6 | Very high | 179 Ų | 179 | 44.4 Ų | 44.4 | 68% | 0.675 | 21% | 0.208 | S | C | * | . | trans | -125.3 | -4.2 | -171.2 | -66.9 | 179.5 | -178.5 | -138.9 | -3 | 114.9 | D260 D265 Y315 | R258-D260 PolarHBondContact O-N 3.48Å; R258-D265 PolarHBondContact N-OD1 3.4Å; R258-Y315 PolarHBondContact N-OH 2.97Å | ||
| 259 | N | 87.8 | Confident | 93.9 | Very high | 78 Ų | 78 | 42.6 Ų | 42.6 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | trans | 52.8 | 41.7 | -170.5 | -174.8 | 28 | 0 | 0 | 0 | 111.8 | H310 C312 Y315 | N259-H310 HydrophobicContact CB-CB 4.4Å; N259-C312 PolarHBondContact OD1-SG 3.05Å; N259-Y315 VanDerWaalsContact CA-OH 3.28Å; N259-Y315 WeakPolarHBondContact CA-OH 3.3Å; N259-Y315 HydrophobicContact CB-CE2 3.9Å; N259-Y315 PolarHBondContact N-OH 3.43Å | ||
| 260 | D | 88.4 | Confident | 94 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 32% | 0.316 | 21% | 0.211 | S | C | . | . | trans | -95.9 | 161.8 | 169.3 | 68.7 | 42.3 | 0 | 0 | 0 | 110.6 | R258 S262 D265 | R258-D260 PolarHBondContact O-N 3.48Å; D260-S262 PolarHBondContact O-N 3.46Å; D260-S262 WeakPolarHBondContact OD1-CA 3.47Å; D260-S262 WeakPolarHBondContact OD1-CB 3.33Å; D260-S262 PolarHBondContact OD1-N 3.3Å; D260-S262 PolarHBondContact OD1-OG 3.25Å; D260-D265 WeakPolarHBondContact OD1-CB 3.29Å | ||
| 261 | R | 88.1 | Confident | 94.1 | Very high | 255 Ų | 255 | 45.1 Ų | 45.1 | 96% | 0.962 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -85.7 | 26.8 | 178.8 | -61.8 | -175.1 | -178.7 | -173.4 | 0.1 | 112 | ||
| 262 | S | 92.6 | Very high | 94.2 | Very high | 38 Ų | 38 | 45 Ų | 45 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | trans | -88.9 | 150.1 | -179.4 | 80 | 0 | 0 | 0 | 0 | 111.8 | D260 D264 D265 D266 | D260-S262 PolarHBondContact O-N 3.46Å; D260-S262 WeakPolarHBondContact OD1-CA 3.47Å; D260-S262 WeakPolarHBondContact OD1-CB 3.33Å; D260-S262 PolarHBondContact OD1-N 3.3Å; D260-S262 PolarHBondContact OD1-OG 3.25Å; S262-D264 PolarHBondContact O-N 2.64Å; S262-D264 PolarHBondContact OG-N 3.22Å; S262-D265 PolarHBondContact O-N 3.35Å; S262-D265 PolarHBondContact OG-N 3.3Å; S262-D265 VanDerWaalsContact OG-N 3.14Å; S262-D266 PolarHBondContact O-N 2.95Å | ||
| 263 | V | 91.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.4 | -30.2 | 170.9 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | F216 D266 I267 | F216-V263 HydrophobicContact CB-CG1 4.08Å; F216-V263 HydrophobicContact CD1-CB 4.47Å; F216-V263 HydrophobicContact CD1-CG1 3.57Å; F216-V263 HydrophobicContact CD1-CG2 4Å; F216-V263 HydrophobicContact CE1-CG1 4.21Å; F216-V263 HydrophobicContact CE1-CG2 4.1Å; F216-V263 HydrophobicContact CG-CG1 3.96Å; V263-D266 PolarHBondContact O-N 2.91Å; V263-I267 HydrophobicContact CG1-CD1 3.87Å; V263-I267 HydrophobicContact CG1-CG1 4.34Å; V263-I267 WeakPolarHBondContact O-CG1 3.05Å; V263-I267 PolarHBondContact O-N 3.38Å |
| 264 | D | 93.9 | Very high | 94.1 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.9 | -171 | 80.2 | 0 | 0 | 0 | 111.1 | C209 C213 S262 I267 R268 | C209-D264 WeakPolarHBondContact CB-OD1 3.5Å; C213-D264 WeakPolarHBondContact SG-CA 3.32Å; S262-D264 PolarHBondContact O-N 2.64Å; S262-D264 PolarHBondContact OG-N 3.22Å; D264-I267 PolarHBondContact O-N 3.07Å; D264-R268 WeakPolarHBondContact O-CG 3.45Å; D264-R268 PolarHBondContact O-N 3.14Å; D264-R268 IonicContact OD1-NH2 3.51Å; D264-R268 IonicContact OD2-CZ 2.85Å; D264-R268 IonicContact OD2-NE 3.2Å; D264-R268 PolarHBondContact OD2-NE 3.34Å; D264-R268 IonicContact OD2-NH2 2.68Å; D264-R268 PolarHBondContact OD2-NH2 2.91Å |
| 265 | D | 95.1 | Very high | 94 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | 178.1 | -168.4 | 83.2 | 0 | 0 | 0 | 112.3 | L257 R258 D260 S262 R268 L269 K314 Y315 | L257-D265 WeakPolarHBondContact CA-OD1 3.46Å; R258-D265 PolarHBondContact N-OD1 3.4Å; D260-D265 WeakPolarHBondContact OD1-CB 3.29Å; S262-D265 PolarHBondContact O-N 3.35Å; S262-D265 PolarHBondContact OG-N 3.3Å; S262-D265 VanDerWaalsContact OG-N 3.14Å; D265-R268 PolarHBondContact O-N 2.94Å; D265-L269 WeakPolarHBondContact O-CB 3.34Å; D265-L269 PolarHBondContact O-N 3.13Å; D265-K314 WeakPolarHBondContact OD2-CE 3.33Å; D265-K314 IonicContact OD2-NZ 3.07Å; D265-K314 PolarHBondContact OD2-NZ 3.41Å; D265-Y315 PolarHBondContact OD1-OH 2.89Å; D265-Y315 PolarHBondContact OD2-OH 2.94Å |
| 266 | D | 95 | Very high | 93.9 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 171.7 | -65.3 | -36.3 | 0 | 0 | 0 | 112 | L222 S262 V263 L269 E270 K314 | L222-D266 HydrophobicContact CD1-CB 3.45Å; L222-D266 VanDerWaalsContact CD1-CB 3.45Å; S262-D266 PolarHBondContact O-N 2.95Å; V263-D266 PolarHBondContact O-N 2.91Å; D266-L269 WeakPolarHBondContact O-CB 3.44Å; D266-L269 PolarHBondContact O-N 3.45Å; D266-E270 PolarHBondContact O-N 3.4Å; D266-K314 WeakPolarHBondContact OD1-CE 3.45Å; D266-K314 IonicContact OD1-NZ 3.57Å; D266-K314 PolarHBondContact OD1-NZ 3.14Å |
| 267 | I | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -41.7 | 177.9 | -72.2 | 172.2 | 0 | 0 | 0 | 111.2 | C209 C213 L222 V263 D264 L269 E270 W271 | C209-I267 HydrophobicContact CB-CG2 4.34Å; C213-I267 HydrophobicContact CB-CD1 4.38Å; L222-I267 HydrophobicContact CD2-CD1 4.41Å; L222-I267 HydrophobicContact CD2-CG1 3.82Å; V263-I267 HydrophobicContact CG1-CD1 3.87Å; V263-I267 HydrophobicContact CG1-CG1 4.34Å; V263-I267 WeakPolarHBondContact O-CG1 3.05Å; V263-I267 PolarHBondContact O-N 3.38Å; D264-I267 PolarHBondContact O-N 3.07Å; I267-L269 VanDerWaalsContact C-N 3.31Å; I267-L269 PolarHBondContact O-N 2.82Å; I267-E270 PolarHBondContact O-N 3.27Å; I267-W271 PolarHBondContact O-N 3.22Å |
| 268 | R | 96.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.06 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 173.6 | -75.2 | 176.7 | -165.5 | -94.2 | -9.5 | 111.7 | N206 C209 G256 L257 D264 D265 E270 W271 C272 | N206-R268 PolarHBondContact OD1-NH2 3.31Å; C209-R268 HydrophobicContact CB-CG 4.41Å; C209-R268 WeakPolarHBondContact SG-CG 3.47Å; G256-R268 WeakPolarHBondContact O-CD 3.47Å; L257-R268 HydrophobicContact CD2-CB 3.78Å; D264-R268 WeakPolarHBondContact O-CG 3.45Å; D264-R268 PolarHBondContact O-N 3.14Å; D264-R268 IonicContact OD1-NH2 3.51Å; D264-R268 IonicContact OD2-CZ 2.85Å; D264-R268 IonicContact OD2-NE 3.2Å; D264-R268 PolarHBondContact OD2-NE 3.34Å; D264-R268 IonicContact OD2-NH2 2.68Å; D264-R268 PolarHBondContact OD2-NH2 2.91Å; D265-R268 PolarHBondContact O-N 2.94Å; R268-E270 VanDerWaalsContact C-N 3.35Å; R268-W271 WeakPolarHBondContact O-CB 3.33Å; R268-W271 PolarHBondContact O-N 3.11Å; R268-C272 PolarHBondContact O-N 3.46Å; R268-C272 PolarHBondContact O-SG 3.32Å |
| 269 | L | 96.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.6 | 175.2 | 61.2 | 0 | 0 | 0 | 111.3 | L257 D265 D266 I267 W271 C272 I273 K314 Y315 L318 | L257-L269 HydrophobicContact CD2-CB 4.12Å; D265-L269 WeakPolarHBondContact O-CB 3.34Å; D265-L269 PolarHBondContact O-N 3.13Å; D266-L269 WeakPolarHBondContact O-CB 3.44Å; D266-L269 PolarHBondContact O-N 3.45Å; I267-L269 VanDerWaalsContact C-N 3.31Å; I267-L269 PolarHBondContact O-N 2.82Å; L269-W271 VanDerWaalsContact C-N 3.34Å; L269-W271 PolarHBondContact O-N 2.79Å; L269-C272 WeakPolarHBondContact O-CB 3.03Å; L269-C272 PolarHBondContact O-N 3.11Å; L269-C272 VanDerWaalsContact O-N 3.16Å; L269-I273 HydrophobicContact CD1-CD1 4.06Å; L269-I273 HydrophobicContact CD1-CG1 4.28Å; L269-I273 HydrophobicContact CG-CD1 3.96Å; L269-I273 WeakPolarHBondContact O-CG1 3.17Å; L269-I273 PolarHBondContact O-N 2.95Å; L269-K314 HydrophobicContact CD2-CD 4.15Å; L269-K314 HydrophobicContact CD2-CG 3.46Å; L269-K314 VanDerWaalsContact CD2-CG 3.46Å; L269-Y315 HydrophobicContact CD1-CD1 3.91Å; L269-Y315 HydrophobicContact CD1-CE1 4.39Å; L269-Y315 HydrophobicContact CD2-CD1 4.07Å; L269-Y315 HydrophobicContact CD2-CE1 4.28Å; L269-L318 HydrophobicContact CD1-CB 3.76Å; L269-L318 HydrophobicContact CD1-CD2 3.72Å; L269-L318 HydrophobicContact CD1-CG 4.3Å |
| 270 | E | 96 | Very high | 93.3 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.8 | -73.3 | -64.6 | 143.3 | 0 | 0 | 112.5 | L222 V226 D266 I267 R268 I273 A274 | L222-E270 HydrophobicContact CB-CG 3.7Å; L222-E270 HydrophobicContact CD1-CG 4.36Å; V226-E270 HydrophobicContact CG2-CB 3.67Å; D266-E270 PolarHBondContact O-N 3.4Å; I267-E270 PolarHBondContact O-N 3.27Å; R268-E270 VanDerWaalsContact C-N 3.35Å; E270-I273 PolarHBondContact O-N 2.9Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.42Å |
| 271 | W | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 170.4 | -89.4 | 107.9 | 0 | 0 | 0 | 112.1 | I208 V226 Q229 A230 L233 F237 F253 I267 R268 L269 I273 A274 W275 L289 | I208-W271 HydrophobicContact CG2-CZ2 3.69Å; V226-W271 HydrophobicContact CG1-CD2 3.73Å; V226-W271 HydrophobicContact CG1-CE3 3.88Å; V226-W271 HydrophobicContact CG1-CG 4.15Å; V226-W271 HydrophobicContact CG1-CH2 4.43Å; V226-W271 HydrophobicContact CG1-CZ2 4.3Å; V226-W271 HydrophobicContact CG1-CZ3 4.23Å; V226-W271 HydrophobicContact CG2-CD2 4.4Å; V226-W271 HydrophobicContact CG2-CG 4.14Å; Q229-W271 HydrophobicContact CB-CH2 4.3Å; Q229-W271 HydrophobicContact CB-CZ2 3.6Å; Q229-W271 VanDerWaalsContact OE1-NE1 3.1Å; A230-W271 HydrophobicContact CB-CH2 3.86Å; A230-W271 HydrophobicContact CB-CZ3 4.2Å; L233-W271 HydrophobicContact CD1-CH2 4Å; L233-W271 HydrophobicContact CD1-CZ2 4Å; F237-W271 HydrophobicContact CE2-CH2 4.25Å; F237-W271 HydrophobicContact CE2-CZ3 4.31Å; F237-W271 AromaticContact CZ-CH2 3.74Å; F237-W271 HydrophobicContact CZ-CH2 3.74Å; F237-W271 AromaticContact CZ-CZ3 3.8Å; F237-W271 HydrophobicContact CZ-CZ3 3.8Å; F253-W271 HydrophobicContact CD1-CB 3.63Å; F253-W271 HydrophobicContact CD1-CG 4.08Å; F253-W271 HydrophobicContact CE1-CB 3.52Å; F253-W271 AromaticContact CE1-CD1 3.68Å; F253-W271 AromaticContact CE1-CD2 4Å; F253-W271 HydrophobicContact CE1-CD2 4Å; F253-W271 AromaticContact CE1-CG 3.43Å; F253-W271 HydrophobicContact CE1-CG 3.43Å; F253-W271 VanDerWaalsContact CE1-CG 3.43Å; F253-W271 HydrophobicContact CE2-CD2 4.4Å; F253-W271 HydrophobicContact CE2-CE3 4.36Å; F253-W271 HydrophobicContact CG-CB 4.2Å; F253-W271 HydrophobicContact CZ-CB 4.01Å; F253-W271 AromaticContact CZ-CD2 3.72Å; F253-W271 HydrophobicContact CZ-CD2 3.72Å; F253-W271 HydrophobicContact CZ-CE3 4.1Å; F253-W271 AromaticContact CZ-CG 3.68Å; F253-W271 HydrophobicContact CZ-CG 3.68Å; I267-W271 PolarHBondContact O-N 3.22Å; R268-W271 WeakPolarHBondContact O-CB 3.33Å; R268-W271 PolarHBondContact O-N 3.11Å; L269-W271 VanDerWaalsContact C-N 3.34Å; L269-W271 PolarHBondContact O-N 2.79Å; W271-I273 VanDerWaalsContact C-N 3.35Å; W271-I273 PolarHBondContact O-N 2.94Å; W271-A274 PolarHBondContact O-N 2.81Å; W271-W275 AromaticContact CE3-NE1 3.66Å; W271-W275 PolarHBondContact O-N 3.42Å; W271-L289 HydrophobicContact CZ3-CD1 4.31Å; W271-L289 HydrophobicContact CZ3-CD2 4.46Å |
| 272 | C | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | I254 R268 L269 A274 W275 I276 L318 | I254-C272 HydrophobicContact CG1-CB 4.37Å; R268-C272 PolarHBondContact O-N 3.46Å; R268-C272 PolarHBondContact O-SG 3.32Å; L269-C272 WeakPolarHBondContact O-CB 3.03Å; L269-C272 PolarHBondContact O-N 3.11Å; L269-C272 VanDerWaalsContact O-N 3.16Å; C272-A274 PolarHBondContact O-N 3.28Å; C272-W275 PolarHBondContact O-N 3.29Å; C272-I276 WeakPolarHBondContact O-CB 3.15Å; C272-I276 VanDerWaalsContact O-CG1 3.29Å; C272-I276 WeakPolarHBondContact O-CG1 3.41Å; C272-I276 PolarHBondContact O-N 3.2Å; C272-L318 HydrophobicContact CB-CD1 3.71Å; C272-L318 HydrophobicContact CB-CD2 3.74Å; C272-L318 HydrophobicContact CB-CG 4.39Å |
| 273 | I | 95.1 | Very high | 90.4 | Very high | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.185 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 178.2 | -69.4 | 168.3 | 0 | 0 | 0 | 110.6 | L269 E270 W271 W275 I276 E277 L318 K321 | L269-I273 HydrophobicContact CD1-CD1 4.06Å; L269-I273 HydrophobicContact CD1-CG1 4.28Å; L269-I273 HydrophobicContact CG-CD1 3.96Å; L269-I273 WeakPolarHBondContact O-CG1 3.17Å; L269-I273 PolarHBondContact O-N 2.95Å; E270-I273 PolarHBondContact O-N 2.9Å; W271-I273 VanDerWaalsContact C-N 3.35Å; W271-I273 PolarHBondContact O-N 2.94Å; I273-W275 PolarHBondContact O-N 2.69Å; I273-I276 PolarHBondContact O-N 3.01Å; I273-E277 WeakPolarHBondContact O-CB 3.24Å; I273-E277 PolarHBondContact O-N 3.11Å; I273-L318 HydrophobicContact CG1-CB 4.39Å; I273-L318 HydrophobicContact CG1-CD1 4.26Å; I273-K321 HydrophobicContact CG2-CD 4.21Å |
| 274 | A | 94.6 | Very high | 89 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V226 E270 W271 C272 A278 L289 | V226-A274 HydrophobicContact CG1-CB 3.92Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.42Å; W271-A274 PolarHBondContact O-N 2.81Å; C272-A274 PolarHBondContact O-N 3.28Å; A274-A278 WeakPolarHBondContact O-CB 3.33Å; A274-A278 PolarHBondContact O-N 3.48Å; A274-L289 HydrophobicContact CB-CD1 3.94Å |
| 275 | W | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -48.3 | 175.9 | -81.1 | 119.1 | 0 | 0 | 0 | 112.5 | F237 V246 L249 V250 F253 W271 C272 I273 E277 A278 I279 L289 V293 | F237-W275 HydrophobicContact CD1-CH2 4.36Å; F237-W275 HydrophobicContact CD1-CZ2 4.16Å; F237-W275 AromaticContact CE1-CZ2 3.91Å; F237-W275 HydrophobicContact CE1-CZ2 3.91Å; F237-W275 HydrophobicContact CE2-CZ2 4.4Å; F237-W275 HydrophobicContact CG-CH2 4.38Å; F237-W275 HydrophobicContact CZ-CZ2 4.04Å; V246-W275 HydrophobicContact CG1-CE3 4.42Å; V246-W275 HydrophobicContact CG1-CH2 3.65Å; V246-W275 HydrophobicContact CG1-CZ2 4.42Å; V246-W275 HydrophobicContact CG1-CZ3 3.64Å; L249-W275 HydrophobicContact CD2-CZ2 3.86Å; V250-W275 HydrophobicContact CG1-CB 4.01Å; V250-W275 HydrophobicContact CG1-CG 4.39Å; V250-W275 HydrophobicContact CG2-CB 3.92Å; V250-W275 HydrophobicContact CG2-CD2 3.52Å; V250-W275 HydrophobicContact CG2-CE3 3.82Å; V250-W275 HydrophobicContact CG2-CG 3.58Å; F253-W275 AromaticContact CD2-NE1 3.84Å; F253-W275 AromaticContact CE2-NE1 3.7Å; W271-W275 AromaticContact CE3-NE1 3.66Å; W271-W275 PolarHBondContact O-N 3.42Å; C272-W275 PolarHBondContact O-N 3.29Å; I273-W275 PolarHBondContact O-N 2.69Å; W275-E277 VanDerWaalsContact C-N 3.3Å; W275-E277 PolarHBondContact O-N 3.44Å; W275-A278 WeakPolarHBondContact O-CB 3.49Å; W275-A278 PolarHBondContact O-N 3.03Å; W275-I279 WeakPolarHBondContact O-CG1 3.48Å; W275-I279 PolarHBondContact O-N 2.98Å; W275-L289 HydrophobicContact CD2-CD1 3.79Å; W275-L289 HydrophobicContact CE3-CB 4.12Å; W275-L289 HydrophobicContact CE3-CD1 3.97Å; W275-L289 HydrophobicContact CE3-CG 4.46Å; W275-L289 HydrophobicContact CG-CD1 4.18Å; W275-L289 HydrophobicContact CH2-CB 4.5Å; W275-L289 HydrophobicContact CH2-CD2 3.83Å; W275-L289 HydrophobicContact CZ2-CD1 4.36Å; W275-L289 HydrophobicContact CZ2-CD2 4Å; W275-L289 HydrophobicContact CZ3-CB 3.97Å; W275-L289 HydrophobicContact CZ3-CD1 4.32Å; W275-L289 HydrophobicContact CZ3-CD2 4.16Å; W275-L289 HydrophobicContact CZ3-CG 4.37Å; W275-V293 HydrophobicContact CE3-CG1 3.87Å; W275-V293 HydrophobicContact CZ3-CG1 3.89Å |
| 276 | I | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 179 | -72.3 | -17.6 | 0 | 0 | 0 | 111 | V250 C272 I273 I279 R280 L318 K321 L322 I325 | V250-I276 HydrophobicContact CG1-CD1 4.26Å; C272-I276 WeakPolarHBondContact O-CB 3.15Å; C272-I276 VanDerWaalsContact O-CG1 3.29Å; C272-I276 WeakPolarHBondContact O-CG1 3.41Å; C272-I276 PolarHBondContact O-N 3.2Å; I273-I276 PolarHBondContact O-N 3.01Å; I276-I279 HydrophobicContact CD1-CD1 4.08Å; I276-I279 PolarHBondContact O-N 3.29Å; I276-R280 PolarHBondContact O-N 3.47Å; I276-L318 HydrophobicContact CG1-CD1 3.91Å; I276-K321 HydrophobicContact CG2-CB 3.44Å; I276-K321 VanDerWaalsContact CG2-CB 3.44Å; I276-K321 HydrophobicContact CG2-CD 4.43Å; I276-K321 HydrophobicContact CG2-CG 4.47Å; I276-L322 HydrophobicContact CD1-CD1 3.75Å; I276-L322 HydrophobicContact CG1-CD1 4.06Å; I276-I325 HydrophobicContact CB-CD1 3.98Å; I276-I325 HydrophobicContact CD1-CD1 3.69Å; I276-I325 HydrophobicContact CG1-CD1 3.99Å; I276-I325 HydrophobicContact CG2-CD1 3.53Å; I276-I325 HydrophobicContact CG2-CG1 4.38Å |
| 277 | E | 91.3 | Very high | 85.9 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -37.3 | 177 | -167.9 | 58.6 | -134.2 | 0 | 0 | 112 | I273 W275 R280 C281 K321 | I273-E277 WeakPolarHBondContact O-CB 3.24Å; I273-E277 PolarHBondContact O-N 3.11Å; W275-E277 VanDerWaalsContact C-N 3.3Å; W275-E277 PolarHBondContact O-N 3.44Å; E277-R280 VanDerWaalsContact CD-NH2 3.26Å; E277-R280 PolarHBondContact O-N 3.32Å; E277-R280 IonicContact OE1-CZ 3.12Å; E277-R280 IonicContact OE1-NE 2.87Å; E277-R280 PolarHBondContact OE1-NE 2.98Å; E277-R280 IonicContact OE1-NH2 2.64Å; E277-R280 PolarHBondContact OE1-NH2 3.3Å; E277-R280 IonicContact OE2-CZ 3.33Å; E277-R280 IonicContact OE2-NE 3.35Å; E277-R280 PolarHBondContact OE2-NE 3.31Å; E277-R280 IonicContact OE2-NH2 3.13Å; E277-R280 PolarHBondContact OE2-NH2 2.61Å; E277-R280 VanDerWaalsContact OE2-NH2 3.13Å; E277-C281 VanDerWaalsContact O-CB 3.26Å; E277-C281 WeakPolarHBondContact O-CB 3.34Å; E277-C281 PolarHBondContact O-N 3.13Å; E277-C281 PolarHBondContact OE1-SG 2.95Å; E277-K321 IonicContact OE2-NZ 3.09Å; E277-K321 PolarHBondContact OE2-NZ 3.04Å |
| 278 | A | 91.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A274 W275 R280 C281 R282 L289 V293 | A274-A278 WeakPolarHBondContact O-CB 3.33Å; A274-A278 PolarHBondContact O-N 3.48Å; W275-A278 WeakPolarHBondContact O-CB 3.49Å; W275-A278 PolarHBondContact O-N 3.03Å; A278-R280 VanDerWaalsContact C-N 3.3Å; A278-R280 PolarHBondContact O-N 3.38Å; A278-C281 PolarHBondContact O-N 2.78Å; A278-R282 PolarHBondContact O-N 3.29Å; A278-L289 HydrophobicContact CB-CB 3.63Å; A278-V293 HydrophobicContact CB-CG1 4.05Å |
| 279 | I | 88.9 | Confident | 85.2 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.8 | -66.7 | 165.3 | 0 | 0 | 0 | 110.8 | W275 I276 R282 V293 L296 I325 | W275-I279 WeakPolarHBondContact O-CG1 3.48Å; W275-I279 PolarHBondContact O-N 2.98Å; I276-I279 HydrophobicContact CD1-CD1 4.08Å; I276-I279 PolarHBondContact O-N 3.29Å; I279-R282 WeakPolarHBondContact O-CD 3.43Å; I279-R282 VanDerWaalsContact O-CG 3.26Å; I279-R282 WeakPolarHBondContact O-CG 3.36Å; I279-R282 PolarHBondContact O-NE 3.22Å; I279-V293 HydrophobicContact CG1-CB 3.97Å; I279-V293 HydrophobicContact CG1-CG1 3.79Å; I279-L296 HydrophobicContact CD1-CD1 4.49Å; I279-L296 HydrophobicContact CD1-CD2 4.24Å; I279-I325 HydrophobicContact CB-CD1 4.19Å; I279-I325 HydrophobicContact CD1-CD1 4.35Å; I279-I325 HydrophobicContact CG2-CB 4.15Å; I279-I325 HydrophobicContact CG2-CD1 3.95Å; I279-I325 HydrophobicContact CG2-CG2 4.4Å |
| 280 | R | 85.4 | Confident | 84.9 | Confident | 126 Ų | 126 | 46 Ų | 46 | 48% | 0.475 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 177 | -168.8 | 175 | 74.5 | 155.5 | 5.8 | 112.2 | I276 E277 A278 R282 I325 | I276-R280 PolarHBondContact O-N 3.47Å; E277-R280 VanDerWaalsContact CD-NH2 3.26Å; E277-R280 PolarHBondContact O-N 3.32Å; E277-R280 IonicContact OE1-CZ 3.12Å; E277-R280 IonicContact OE1-NE 2.87Å; E277-R280 PolarHBondContact OE1-NE 2.98Å; E277-R280 IonicContact OE1-NH2 2.64Å; E277-R280 PolarHBondContact OE1-NH2 3.3Å; E277-R280 IonicContact OE2-CZ 3.33Å; E277-R280 IonicContact OE2-NE 3.35Å; E277-R280 PolarHBondContact OE2-NE 3.31Å; E277-R280 IonicContact OE2-NH2 3.13Å; E277-R280 PolarHBondContact OE2-NH2 2.61Å; E277-R280 VanDerWaalsContact OE2-NH2 3.13Å; A278-R280 VanDerWaalsContact C-N 3.3Å; A278-R280 PolarHBondContact O-N 3.38Å; R280-R282 VanDerWaalsContact C-N 3.33Å; R280-R282 PolarHBondContact O-N 3.11Å; R280-I325 HydrophobicContact CB-CG2 3.63Å; R280-I325 HydrophobicContact CG-CG2 4.02Å |
| 281 | C | 82.2 | Confident | 84.6 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 22.4 | -172.8 | -73.4 | 0 | 0 | 0 | 0 | 114.2 | E277 A278 V283 S284 | E277-C281 VanDerWaalsContact O-CB 3.26Å; E277-C281 WeakPolarHBondContact O-CB 3.34Å; E277-C281 PolarHBondContact O-N 3.13Å; E277-C281 PolarHBondContact OE1-SG 2.95Å; A278-C281 PolarHBondContact O-N 2.78Å; C281-V283 PolarHBondContact O-N 3.44Å; C281-S284 WeakPolarHBondContact CB-OG 3.35Å; C281-S284 PolarHBondContact O-N 2.8Å; C281-S284 PolarHBondContact O-OG 2.94Å |
| 282 | R | 69.1 | Low | 84.3 | Confident | 120 Ų | 120 | 49.3 Ų | 49.3 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.5 | -38.1 | -179.6 | -82.2 | 168.5 | -175 | -177.3 | 3.2 | 113.9 | A278 I279 R280 V293 | A278-R282 PolarHBondContact O-N 3.29Å; I279-R282 WeakPolarHBondContact O-CD 3.43Å; I279-R282 VanDerWaalsContact O-CG 3.26Å; I279-R282 WeakPolarHBondContact O-CG 3.36Å; I279-R282 PolarHBondContact O-NE 3.22Å; R280-R282 VanDerWaalsContact C-N 3.33Å; R280-R282 PolarHBondContact O-N 3.11Å; R282-V293 HydrophobicContact CG-CG2 4.11Å |
| 283 | V | 58 | Low | 83.9 | Confident | 149 Ų | 149 | 49.3 Ų | 49.3 | 90% | 0.903 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -25.2 | -174.9 | -171.4 | 0 | 0 | 0 | 0 | 113.6 | C281 | C281-V283 PolarHBondContact O-N 3.44Š|
| 284 | S | 62.1 | Low | 83.2 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10.8 | -168.9 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | C281 K286 | C281-S284 WeakPolarHBondContact CB-OG 3.35Å; C281-S284 PolarHBondContact O-N 2.8Å; C281-S284 PolarHBondContact O-OG 2.94Å; S284-K286 PolarHBondContact O-N 3.17Å; S284-K286 VanDerWaalsContact O-N 3.15Å |
| 285 | G | 63.4 | Low | 82.4 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | trans | 61.2 | 22 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 286 | K | 73.4 | Confident | 82 | Confident | 178 Ų | 178 | 57 Ų | 57 | 77% | 0.774 | 32% | 0.324 | S | S | * | . | trans | -86.9 | -23.9 | -171.4 | -72.5 | -177.3 | -180 | -179.6 | 0 | 114 | S284 | S284-K286 PolarHBondContact O-N 3.17Å; S284-K286 VanDerWaalsContact O-N 3.15Å | ||
| 287 | S | 82.1 | Confident | 81.6 | Confident | 30 Ų | 30 | 62 Ų | 62 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -102.4 | 139.8 | -179 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | L289 C290 | S287-L289 PolarHBondContact O-N 3.4Å; S287-L289 VanDerWaalsContact O-N 3.13Å; S287-L289 PolarHBondContact OG-N 2.94Å; S287-C290 VanDerWaalsContact O-CB 3.29Å; S287-C290 WeakPolarHBondContact O-CB 3.24Å; S287-C290 PolarHBondContact O-N 3.17Å |
| 288 | I | 85.6 | Confident | 81.4 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 23% | 0.226 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.1 | 171.7 | -165.3 | 167.1 | 0 | 0 | 0 | 113.1 | A230 I231 | A230-I288 HydrophobicContact CB-CG2 3.66Å; I231-I288 HydrophobicContact CB-CD1 3.94Å; I231-I288 HydrophobicContact CD1-CD1 4.37Å; I231-I288 HydrophobicContact CG1-CD1 3.15Å |
| 289 | L | 92.6 | Very high | 81.3 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -7.6 | 179.6 | -60 | 175.8 | 0 | 0 | 0 | 113.1 | A230 F237 W271 A274 W275 A278 S287 D291 Y292 | A230-L289 HydrophobicContact CB-CD2 4.03Å; F237-L289 HydrophobicContact CD2-CD2 3.93Å; F237-L289 HydrophobicContact CE2-CD2 3.6Å; F237-L289 HydrophobicContact CZ-CD2 4.39Å; W271-L289 HydrophobicContact CZ3-CD1 4.31Å; W271-L289 HydrophobicContact CZ3-CD2 4.46Å; A274-L289 HydrophobicContact CB-CD1 3.94Å; W275-L289 HydrophobicContact CD2-CD1 3.79Å; W275-L289 HydrophobicContact CE3-CB 4.12Å; W275-L289 HydrophobicContact CE3-CD1 3.97Å; W275-L289 HydrophobicContact CE3-CG 4.46Å; W275-L289 HydrophobicContact CG-CD1 4.18Å; W275-L289 HydrophobicContact CH2-CB 4.5Å; W275-L289 HydrophobicContact CH2-CD2 3.83Å; W275-L289 HydrophobicContact CZ2-CD1 4.36Å; W275-L289 HydrophobicContact CZ2-CD2 4Å; W275-L289 HydrophobicContact CZ3-CB 3.97Å; W275-L289 HydrophobicContact CZ3-CD1 4.32Å; W275-L289 HydrophobicContact CZ3-CD2 4.16Å; W275-L289 HydrophobicContact CZ3-CG 4.37Å; A278-L289 HydrophobicContact CB-CB 3.63Å; S287-L289 PolarHBondContact O-N 3.4Å; S287-L289 VanDerWaalsContact O-N 3.13Å; S287-L289 PolarHBondContact OG-N 2.94Å; L289-D291 PolarHBondContact O-N 2.77Å; L289-Y292 HydrophobicContact CD2-CD2 4.36Å; L289-Y292 PolarHBondContact O-N 3.38Å |
| 290 | C | 90.5 | Very high | 81.1 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.054 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -57.8 | -35.6 | -177.6 | -77.8 | 0 | 0 | 0 | 0 | 112.5 | S287 Y292 V293 | S287-C290 VanDerWaalsContact O-CB 3.29Å; S287-C290 WeakPolarHBondContact O-CB 3.24Å; S287-C290 PolarHBondContact O-N 3.17Å; C290-Y292 PolarHBondContact O-N 3.22Å; C290-Y292 VanDerWaalsContact O-N 3.11Å; C290-V293 VanDerWaalsContact O-CG2 3.31Å; C290-V293 WeakPolarHBondContact O-CG2 3.42Å; C290-V293 PolarHBondContact O-N 3.09Å |
| 291 | D | 89.3 | Confident | 81.1 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -66.4 | -13.1 | -179.8 | -59.6 | -20.1 | 0 | 0 | 0 | 113.4 | L289 | L289-D291 PolarHBondContact O-N 2.77Š|
| 292 | Y | 90.7 | Very high | 81.5 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 6% | 0.055 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -112 | -1.5 | -173.5 | -50.5 | -69.2 | 0 | 0 | 0 | 114.1 | K234 F237 L241 L289 C290 | K234-Y292 WeakPolarHBondContact CB-OH 3.42Å; K234-Y292 VanDerWaalsContact CG-OH 3.29Å; K234-Y292 WeakPolarHBondContact CG-OH 3.31Å; F237-Y292 HydrophobicContact CB-CD1 3.66Å; F237-Y292 HydrophobicContact CB-CD2 3.95Å; F237-Y292 HydrophobicContact CB-CE1 3.74Å; F237-Y292 HydrophobicContact CB-CE2 4.04Å; F237-Y292 HydrophobicContact CB-CG 3.78Å; F237-Y292 HydrophobicContact CD2-CD2 4.16Å; F237-Y292 HydrophobicContact CD2-CE2 4.06Å; F237-Y292 HydrophobicContact CG-CD2 4.44Å; L241-Y292 HydrophobicContact CB-CD1 4.5Å; L241-Y292 HydrophobicContact CD2-CD1 4.21Å; L289-Y292 HydrophobicContact CD2-CD2 4.36Å; L289-Y292 PolarHBondContact O-N 3.38Å; C290-Y292 PolarHBondContact O-N 3.22Å; C290-Y292 VanDerWaalsContact O-N 3.11Å |
| 293 | V | 88.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -103.1 | -1.4 | -176.1 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | W275 A278 I279 R282 C290 G295 L296 | W275-V293 HydrophobicContact CE3-CG1 3.87Å; W275-V293 HydrophobicContact CZ3-CG1 3.89Å; A278-V293 HydrophobicContact CB-CG1 4.05Å; I279-V293 HydrophobicContact CG1-CB 3.97Å; I279-V293 HydrophobicContact CG1-CG1 3.79Å; R282-V293 HydrophobicContact CG-CG2 4.11Å; C290-V293 VanDerWaalsContact O-CG2 3.31Å; C290-V293 WeakPolarHBondContact O-CG2 3.42Å; C290-V293 PolarHBondContact O-N 3.09Å; V293-G295 PolarHBondContact O-N 2.96Å; V293-L296 HydrophobicContact CB-CD1 4.4Å; V293-L296 HydrophobicContact CG1-CD1 4.21Å; V293-L296 WeakPolarHBondContact O-CB 3.26Å; V293-L296 PolarHBondContact O-N 3.32Å | ||
| 294 | D | 81.1 | Confident | 84.1 | Confident | 109 Ų | 109 | 56.9 Ų | 56.9 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 127.5 | 176 | -79.5 | -11.4 | 0 | 0 | 0 | 111 | L296 | D294-L296 PolarHBondContact O-N 3.01Š|
| 295 | G | 77.6 | Confident | 85.3 | Confident | 83 Ų | 83 | 56.7 Ų | 56.7 | 86% | 0.856 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 13.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V293 S297 | V293-G295 PolarHBondContact O-N 2.96Å; G295-S297 PolarHBondContact O-N 3.38Å |
| 296 | L | 85.3 | Confident | 86.7 | Confident | 28 Ų | 28 | 55 Ų | 55 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | trans | -62.7 | 128.8 | -179.9 | -175.6 | 151 | 0 | 0 | 0 | 111.6 | V246 V250 I279 V293 D294 L298 | V246-L296 HydrophobicContact CB-CD1 4.2Å; V246-L296 HydrophobicContact CG1-CD1 3.72Å; V250-L296 HydrophobicContact CG2-CD1 4.17Å; I279-L296 HydrophobicContact CD1-CD1 4.49Å; I279-L296 HydrophobicContact CD1-CD2 4.24Å; V293-L296 HydrophobicContact CB-CD1 4.4Å; V293-L296 HydrophobicContact CG1-CD1 4.21Å; V293-L296 WeakPolarHBondContact O-CB 3.26Å; V293-L296 PolarHBondContact O-N 3.32Å; D294-L296 PolarHBondContact O-N 3.01Å; L296-L298 HydrophobicContact CD2-CB 3.71Å | ||
| 297 | S | 84.8 | Confident | 87.6 | Confident | 106 Ų | 106 | 46.6 Ų | 46.6 | 74% | 0.741 | 26% | 0.259 | S | S | * | . | trans | -104.3 | 107.8 | 172.4 | 176.9 | 0 | 0 | 0 | 0 | 110 | G247 G295 | G247-S297 WeakPolarHBondContact CA-O 3.41Å; G295-S297 PolarHBondContact O-N 3.38Å | ||
| 298 | L | 88.3 | Confident | 87.9 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -105.1 | 134.1 | 177 | -177.4 | 60.7 | 0 | 0 | 0 | 110.2 | G247 V250 L251 L296 W300 L322 | G247-L298 WeakPolarHBondContact O-CD1 3.32Å; V250-L298 HydrophobicContact CB-CD1 4.3Å; V250-L298 HydrophobicContact CG1-CD1 4.15Å; V250-L298 HydrophobicContact CG1-CD2 4.43Å; L251-L298 HydrophobicContact CB-CD1 3.87Å; L251-L298 HydrophobicContact CD1-CD1 4.43Å; L296-L298 HydrophobicContact CD2-CB 3.71Å; L298-W300 VanDerWaalsContact C-N 3.25Å; L298-W300 HydrophobicContact CB-CD2 4.39Å; L298-W300 HydrophobicContact CB-CZ2 4.31Å; L298-W300 HydrophobicContact CD2-CD2 4.05Å; L298-W300 HydrophobicContact CD2-CE3 3.81Å; L298-W300 HydrophobicContact CD2-CH2 3.95Å; L298-W300 HydrophobicContact CD2-CZ2 4.13Å; L298-W300 HydrophobicContact CD2-CZ3 3.77Å; L298-W300 HydrophobicContact CG-CD2 4.32Å; L298-W300 PolarHBondContact O-N 3.43Å; L298-W300 PolarHBondContact O-NE1 3.46Å; L298-L322 HydrophobicContact CD2-CD1 4.35Å | ||
| 299 | D | 88.5 | Confident | 88 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | trans | -75.2 | 81.3 | 169.1 | -168.7 | -23.4 | 0 | 0 | 0 | 109.8 | L251 R301 K302 A303 | L251-D299 HydrophobicContact CD1-CB 4.49Å; L251-D299 HydrophobicContact CD2-CB 3.88Å; D299-R301 PolarHBondContact O-N 2.97Å; D299-R301 PolarHBondContact OD1-N 3.44Å; D299-K302 HydrophobicContact CB-CB 4.35Å; D299-K302 HydrophobicContact CB-CD 4.45Å; D299-K302 PolarHBondContact O-N 3.44Å; D299-K302 PolarHBondContact OD1-N 2.99Å; D299-K302 WeakPolarHBondContact OD2-CD 3.41Å; D299-K302 WeakPolarHBondContact OD2-CE 3.42Å; D299-K302 WeakPolarHBondContact OD2-CG 3.35Å; D299-K302 IonicContact OD2-NZ 3.01Å; D299-K302 PolarHBondContact OD2-NZ 3.37Å; D299-A303 PolarHBondContact O-N 2.8Å | ||
| 300 | W | 86 | Confident | 87.9 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.7 | -35.7 | -177.7 | -63.7 | 101.4 | 0 | 0 | 0 | 113.3 | L298 A303 L304 L322 I325 | L298-W300 VanDerWaalsContact C-N 3.25Å; L298-W300 HydrophobicContact CB-CD2 4.39Å; L298-W300 HydrophobicContact CB-CZ2 4.31Å; L298-W300 HydrophobicContact CD2-CD2 4.05Å; L298-W300 HydrophobicContact CD2-CE3 3.81Å; L298-W300 HydrophobicContact CD2-CH2 3.95Å; L298-W300 HydrophobicContact CD2-CZ2 4.13Å; L298-W300 HydrophobicContact CD2-CZ3 3.77Å; L298-W300 HydrophobicContact CG-CD2 4.32Å; L298-W300 PolarHBondContact O-N 3.43Å; L298-W300 PolarHBondContact O-NE1 3.46Å; W300-A303 PolarHBondContact O-N 2.93Å; W300-L304 VanDerWaalsContact O-CB 3.31Å; W300-L304 WeakPolarHBondContact O-CB 3.5Å; W300-L304 WeakPolarHBondContact O-CD1 3.49Å; W300-L304 VanDerWaalsContact O-CG 3.25Å; W300-L304 WeakPolarHBondContact O-CG 3.2Å; W300-L304 PolarHBondContact O-N 3.31Å; W300-L322 HydrophobicContact CE3-CD1 3.81Å; W300-L322 HydrophobicContact CE3-CG 4.12Å; W300-L322 HydrophobicContact CZ3-CD1 3.45Å; W300-L322 VanDerWaalsContact CZ3-CD1 3.45Å; W300-L322 HydrophobicContact CZ3-CG 4Å; W300-I325 HydrophobicContact CH2-CB 4.06Å; W300-I325 HydrophobicContact CH2-CD1 3.41Å; W300-I325 VanDerWaalsContact CH2-CD1 3.41Å; W300-I325 HydrophobicContact CH2-CG1 3.37Å; W300-I325 HydrophobicContact CZ3-CD1 3.63Å; W300-I325 HydrophobicContact CZ3-CG1 3.51Å |
| 301 | R | 85.1 | Confident | 87.8 | Confident | 111 Ų | 111 | 50.5 Ų | 50.5 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -48.8 | -176.7 | -174.3 | 177.8 | 180 | 120.2 | 0.1 | 109.8 | D299 L304 D305 | D299-R301 PolarHBondContact O-N 2.97Å; D299-R301 PolarHBondContact OD1-N 3.44Å; R301-L304 PolarHBondContact O-N 2.91Å; R301-D305 VanDerWaalsContact O-CB 3.31Å; R301-D305 WeakPolarHBondContact O-CB 3.41Å; R301-D305 PolarHBondContact O-N 2.93Å |
| 302 | K | 88.9 | Confident | 87.8 | Confident | 118 Ų | 118 | 46.1 Ų | 46.1 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 176 | -72.1 | -175.7 | -169.6 | 156.3 | 0 | 112.3 | L251 D299 L304 D305 H306 | L251-K302 HydrophobicContact CD1-CB 4.11Å; D299-K302 HydrophobicContact CB-CB 4.35Å; D299-K302 HydrophobicContact CB-CD 4.45Å; D299-K302 PolarHBondContact O-N 3.44Å; D299-K302 PolarHBondContact OD1-N 2.99Å; D299-K302 WeakPolarHBondContact OD2-CD 3.41Å; D299-K302 WeakPolarHBondContact OD2-CE 3.42Å; D299-K302 WeakPolarHBondContact OD2-CG 3.35Å; D299-K302 IonicContact OD2-NZ 3.01Å; D299-K302 PolarHBondContact OD2-NZ 3.37Å; K302-L304 PolarHBondContact O-N 3.49Å; K302-D305 PolarHBondContact O-N 3.17Å; K302-H306 WeakPolarHBondContact O-CB 3.49Å; K302-H306 PolarHBondContact O-N 3.18Å |
| 303 | A | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L251 I254 D299 W300 I307 L322 | L251-A303 HydrophobicContact CD1-CB 3.98Å; I254-A303 HydrophobicContact CD1-CB 3.91Å; I254-A303 HydrophobicContact CG2-CB 4.16Å; D299-A303 PolarHBondContact O-N 2.8Å; W300-A303 PolarHBondContact O-N 2.93Å; A303-I307 WeakPolarHBondContact O-CG1 3.36Å; A303-I307 PolarHBondContact O-N 2.86Å; A303-L322 HydrophobicContact CB-CD2 4.08Å |
| 304 | L | 90.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 179.2 | -74.9 | 162.2 | 0 | 0 | 0 | 112.1 | W300 R301 K302 H306 I307 L308 F319 L322 L323 W374 | W300-L304 VanDerWaalsContact O-CB 3.31Å; W300-L304 WeakPolarHBondContact O-CB 3.5Å; W300-L304 WeakPolarHBondContact O-CD1 3.49Å; W300-L304 VanDerWaalsContact O-CG 3.25Å; W300-L304 WeakPolarHBondContact O-CG 3.2Å; W300-L304 PolarHBondContact O-N 3.31Å; R301-L304 PolarHBondContact O-N 2.91Å; K302-L304 PolarHBondContact O-N 3.49Å; L304-H306 VanDerWaalsContact C-N 3.32Å; L304-H306 PolarHBondContact O-N 3.05Å; L304-I307 PolarHBondContact O-N 3.28Å; L304-L308 WeakPolarHBondContact O-CB 2.97Å; L304-L308 VanDerWaalsContact O-CG 3.22Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.08Å; L304-F319 HydrophobicContact CD2-CD2 4.14Å; L304-F319 HydrophobicContact CD2-CE2 3.68Å; L304-F319 HydrophobicContact CD2-CZ 4.48Å; L304-L322 HydrophobicContact CD2-CD2 3.6Å; L304-L322 HydrophobicContact CD2-CG 4.18Å; L304-L322 HydrophobicContact CG-CD2 3.76Å; L304-L322 HydrophobicContact CG-CG 4.49Å; L304-L323 HydrophobicContact CD2-CD2 3.72Å; L304-L323 HydrophobicContact CD2-CG 4.48Å; L304-W374 HydrophobicContact CB-CZ2 4.49Å; L304-W374 HydrophobicContact CD1-CH2 3.7Å; L304-W374 HydrophobicContact CD1-CZ2 3.8Å |
| 305 | D | 88.3 | Confident | 88.5 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 177.5 | -179.4 | 63 | 0 | 0 | 0 | 111.5 | R301 K302 I307 L308 N309 L368 | R301-D305 VanDerWaalsContact O-CB 3.31Å; R301-D305 WeakPolarHBondContact O-CB 3.41Å; R301-D305 PolarHBondContact O-N 2.93Å; K302-D305 PolarHBondContact O-N 3.17Å; D305-I307 PolarHBondContact O-N 2.99Å; D305-L308 PolarHBondContact O-N 2.93Å; D305-N309 WeakPolarHBondContact O-CB 3.48Å; D305-N309 VanDerWaalsContact O-CG 3.28Å; D305-N309 PolarHBondContact O-N 2.84Å; D305-N309 PolarHBondContact O-ND2 3.32Å; D305-N309 VanDerWaalsContact O-ND2 3.08Å; D305-N309 PolarHBondContact OD1-ND2 2.96Å; D305-N309 PolarHBondContact OD2-ND2 3.48Å; D305-L368 HydrophobicContact CB-CD1 3.86Å; D305-L368 WeakPolarHBondContact OD1-CD1 3.33Å |
| 306 | H | 92.8 | Very high | 89.2 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 178.5 | -173.9 | 83.7 | 0 | 0 | 0 | 113.3 | I254 L255 L257 K302 L304 L308 N309 H310 | I254-H306 PolarHBondContact O-CD2 3.29Å; I254-H306 PolarHBondContact O-NE2 3.01Å; L255-H306 HydrophobicContact CD2-CB 3.58Å; L255-H306 PolarHBondContact O-CE1 3.48Å; L255-H306 PolarHBondContact O-NE2 2.91Å; L257-H306 PolarHBondContact O-NE2 3.48Å; K302-H306 WeakPolarHBondContact O-CB 3.49Å; K302-H306 PolarHBondContact O-N 3.18Å; L304-H306 VanDerWaalsContact C-N 3.32Å; L304-H306 PolarHBondContact O-N 3.05Å; H306-L308 VanDerWaalsContact C-N 3.3Å; H306-L308 PolarHBondContact O-N 3.22Å; H306-N309 PolarHBondContact O-N 3.19Å; H306-H310 AromaticContact CD2-ND1 3.93Å; H306-H310 AromaticContact CE1-CE1 3.33Å; H306-H310 PolarHBondContact CE1-CE1 3.3Å; H306-H310 AromaticContact CE1-ND1 3.55Å; H306-H310 AromaticContact ND1-CE1 3.79Å; H306-H310 AromaticContact ND1-ND1 3.89Å; H306-H310 AromaticContact NE2-CE1 3.76Å; H306-H310 AromaticContact NE2-ND1 3.56Å; H306-H310 PolarHBondContact O-N 2.87Å; H306-H310 PolarHBondContact O-ND1 3.43Å |
| 307 | I | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 179.1 | -66.1 | 170.5 | 0 | 0 | 0 | 110.7 | I254 A303 L304 D305 H310 M311 L318 F319 L322 | I254-I307 HydrophobicContact CG2-CD1 3.82Å; I254-I307 HydrophobicContact CG2-CG1 3.72Å; A303-I307 WeakPolarHBondContact O-CG1 3.36Å; A303-I307 PolarHBondContact O-N 2.86Å; L304-I307 PolarHBondContact O-N 3.28Å; D305-I307 PolarHBondContact O-N 2.99Å; I307-H310 CarbonylContact O-C 2.94Å; I307-H310 PolarHBondContact O-N 3.49Å; I307-M311 HydrophobicContact CG2-CE 3.89Å; I307-M311 VanDerWaalsContact O-CA 3.26Å; I307-M311 WeakPolarHBondContact O-CA 3.46Å; I307-M311 PolarHBondContact O-N 3.15Å; I307-L318 HydrophobicContact CD1-CD2 3.86Å; I307-L318 HydrophobicContact CD1-CG 4.06Å; I307-L318 HydrophobicContact CG1-CD2 4.49Å; I307-F319 HydrophobicContact CB-CD2 4.45Å; I307-F319 HydrophobicContact CG2-CB 3.99Å; I307-F319 HydrophobicContact CG2-CD2 3.86Å; I307-F319 HydrophobicContact CG2-CG 4.37Å; I307-L322 HydrophobicContact CD1-CD2 3.65Å |
| 308 | L | 88.5 | Confident | 90 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 177 | -72.7 | 173.6 | 0 | 0 | 0 | 111.9 | L304 D305 H306 H310 M311 F319 W366 L368 | L304-L308 WeakPolarHBondContact O-CB 2.97Å; L304-L308 VanDerWaalsContact O-CG 3.22Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 3.08Å; D305-L308 PolarHBondContact O-N 2.93Å; H306-L308 VanDerWaalsContact C-N 3.3Å; H306-L308 PolarHBondContact O-N 3.22Å; L308-H310 PolarHBondContact O-N 3.43Å; L308-M311 HydrophobicContact CD2-CE 3.57Å; L308-M311 WeakPolarHBondContact O-CB 3.35Å; L308-M311 PolarHBondContact O-N 3.4Å; L308-F319 HydrophobicContact CD1-CE2 4.18Å; L308-F319 HydrophobicContact CD1-CZ 4.48Å; L308-F319 HydrophobicContact CD2-CD2 4.15Å; L308-F319 HydrophobicContact CD2-CE1 4.42Å; L308-F319 HydrophobicContact CD2-CE2 3.41Å; L308-F319 VanDerWaalsContact CD2-CE2 3.41Å; L308-F319 HydrophobicContact CD2-CZ 3.57Å; L308-F319 HydrophobicContact CG-CD2 4.49Å; L308-F319 HydrophobicContact CG-CE2 3.7Å; L308-F319 HydrophobicContact CG-CZ 4.24Å; L308-W366 HydrophobicContact CB-CE3 4.2Å; L308-W366 HydrophobicContact CD1-CE3 3.84Å; L308-W366 HydrophobicContact CD1-CZ3 3.75Å; L308-W366 HydrophobicContact CD2-CD2 4.27Å; L308-W366 HydrophobicContact CD2-CE3 3.3Å; L308-W366 HydrophobicContact CD2-CH2 4.22Å; L308-W366 HydrophobicContact CD2-CZ3 3.27Å; L308-W366 HydrophobicContact CG-CE3 3.94Å; L308-W366 HydrophobicContact CG-CZ3 4.07Å; L308-L368 HydrophobicContact CD1-CD1 3.72Å; L308-L368 HydrophobicContact CD1-CG 4.49Å |
| 309 | N | 87.7 | Confident | 90.3 | Very high | 86 Ų | 86 | 41.2 Ų | 41.2 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.9 | -24.6 | 176 | -73.2 | -36.6 | 0 | 0 | 0 | 113.1 | D305 H306 | D305-N309 WeakPolarHBondContact O-CB 3.48Å; D305-N309 VanDerWaalsContact O-CG 3.28Å; D305-N309 PolarHBondContact O-N 2.84Å; D305-N309 PolarHBondContact O-ND2 3.32Å; D305-N309 VanDerWaalsContact O-ND2 3.08Å; D305-N309 PolarHBondContact OD1-ND2 2.96Å; D305-N309 PolarHBondContact OD2-ND2 3.48Å; H306-N309 PolarHBondContact O-N 3.19Å |
| 310 | H | 90 | Very high | 90.5 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 18.9 | 177.8 | -60.5 | 84.3 | 0 | 0 | 0 | 112.9 | N259 H306 I307 L308 C312 Y315 | N259-H310 HydrophobicContact CB-CB 4.4Å; H306-H310 AromaticContact CD2-ND1 3.93Å; H306-H310 AromaticContact CE1-CE1 3.33Å; H306-H310 PolarHBondContact CE1-CE1 3.3Å; H306-H310 AromaticContact CE1-ND1 3.55Å; H306-H310 AromaticContact ND1-CE1 3.79Å; H306-H310 AromaticContact ND1-ND1 3.89Å; H306-H310 AromaticContact NE2-CE1 3.76Å; H306-H310 AromaticContact NE2-ND1 3.56Å; H306-H310 PolarHBondContact O-N 2.87Å; H306-H310 PolarHBondContact O-ND1 3.43Å; I307-H310 CarbonylContact O-C 2.94Å; I307-H310 PolarHBondContact O-N 3.49Å; L308-H310 PolarHBondContact O-N 3.43Å; H310-C312 PolarHBondContact O-N 3.22Å; H310-Y315 HydrophobicContact CB-CD2 4.37Å; H310-Y315 HydrophobicContact CB-CE2 4.01Å; H310-Y315 VanDerWaalsContact O-CD2 3.26Å; H310-Y315 WeakPolarHBondContact O-CD2 3.37Å |
| 311 | M | 88.4 | Confident | 90.8 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 6% | 0.064 | 19% | 0.19 | C | C | . | . | trans | -58.6 | 133 | -168.9 | -176.1 | 60.5 | 70.6 | 0 | 0 | 111.6 | I307 L308 F319 V342 F345 | I307-M311 HydrophobicContact CG2-CE 3.89Å; I307-M311 VanDerWaalsContact O-CA 3.26Å; I307-M311 WeakPolarHBondContact O-CA 3.46Å; I307-M311 PolarHBondContact O-N 3.15Å; L308-M311 HydrophobicContact CD2-CE 3.57Å; L308-M311 WeakPolarHBondContact O-CB 3.35Å; L308-M311 PolarHBondContact O-N 3.4Å; M311-F319 HydrophobicContact CE-CB 3.82Å; M311-F319 HydrophobicContact CE-CD1 3.93Å; M311-F319 HydrophobicContact CE-CD2 3.6Å; M311-F319 HydrophobicContact CE-CE1 4.38Å; M311-F319 HydrophobicContact CE-CE2 4.1Å; M311-F319 HydrophobicContact CE-CG 3.5Å; M311-F319 VanDerWaalsContact CE-CG 3.5Å; M311-F319 HydrophobicContact CE-CZ 4.46Å; M311-V342 HydrophobicContact CE-CG1 4.22Å; M311-V342 HydrophobicContact CE-CG2 4.47Å; M311-V342 HydrophobicContact CG-CG1 4.38Å; M311-V342 HydrophobicContact SD-CG1 3.82Å; M311-F345 HydrophobicContact CB-CD1 3.9Å; M311-F345 HydrophobicContact CB-CE1 3.64Å; M311-F345 HydrophobicContact CG-CD1 3.59Å; M311-F345 HydrophobicContact CG-CE1 3.9Å; M311-F345 WeakPolarHBondContact O-CE1 3.25Å | ||
| 312 | C | 88.8 | Confident | 91.1 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | trans | -156.5 | 170.5 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 110 | N259 H310 K314 Y315 R316 C346 | N259-C312 PolarHBondContact OD1-SG 3.05Å; H310-C312 PolarHBondContact O-N 3.22Å; C312-K314 PolarHBondContact O-N 3.37Å; C312-Y315 PolarHBondContact O-N 3Å; C312-R316 PolarHBondContact O-N 3.14Å; C312-R316 VanDerWaalsContact O-N 3.15Å; C312-C346 PolarHBondContact O-SG 3.4Å | ||
| 313 | D | 89.6 | Confident | 91.1 | Very high | 77 Ų | 77 | 29.3 Ų | 29.3 | 41% | 0.412 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -36.4 | -178.6 | -168.9 | 58.6 | 0 | 0 | 0 | 112.6 | Y315 R316 C346 R348 | D313-Y315 VanDerWaalsContact C-N 3.34Å; D313-Y315 PolarHBondContact O-N 3.35Å; D313-R316 VanDerWaalsContact O-CB 3.26Å; D313-R316 WeakPolarHBondContact O-CB 3.39Å; D313-R316 PolarHBondContact O-N 3.36Å; D313-C346 HydrophobicContact CB-CB 4.24Å; D313-R348 IonicContact OD1-CZ 2.75Å; D313-R348 IonicContact OD1-NE 2.75Å; D313-R348 PolarHBondContact OD1-NE 3.37Å; D313-R348 IonicContact OD1-NH2 3.36Å; D313-R348 PolarHBondContact OD1-NH2 2.58Å; D313-R348 IonicContact OD2-NH2 3.1Å |
| 314 | K | 91.6 | Very high | 91 | Very high | 58 Ų | 58 | 32.6 Ų | 32.6 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -37.9 | 176.2 | 172.9 | -173.4 | -178.4 | 179.3 | 0 | 112.9 | D265 D266 L269 C312 | D265-K314 WeakPolarHBondContact OD2-CE 3.33Å; D265-K314 IonicContact OD2-NZ 3.07Å; D265-K314 PolarHBondContact OD2-NZ 3.41Å; D266-K314 WeakPolarHBondContact OD1-CE 3.45Å; D266-K314 IonicContact OD1-NZ 3.57Å; D266-K314 PolarHBondContact OD1-NZ 3.14Å; L269-K314 HydrophobicContact CD2-CD 4.15Å; L269-K314 HydrophobicContact CD2-CG 3.46Å; L269-K314 VanDerWaalsContact CD2-CG 3.46Å; C312-K314 PolarHBondContact O-N 3.37Å |
| 315 | Y | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.8 | -177 | -61.6 | -19 | 0 | 0 | 0 | 114.5 | L257 R258 N259 D265 L269 H310 C312 D313 D317 L318 F319 | L257-Y315 HydrophobicContact CB-CE1 4.47Å; L257-Y315 HydrophobicContact CB-CE2 4.02Å; L257-Y315 HydrophobicContact CD1-CE1 4.36Å; L257-Y315 HydrophobicContact CD2-CE1 4Å; R258-Y315 PolarHBondContact N-OH 2.97Å; N259-Y315 VanDerWaalsContact CA-OH 3.28Å; N259-Y315 WeakPolarHBondContact CA-OH 3.3Å; N259-Y315 HydrophobicContact CB-CE2 3.9Å; N259-Y315 PolarHBondContact N-OH 3.43Å; D265-Y315 PolarHBondContact OD1-OH 2.89Å; D265-Y315 PolarHBondContact OD2-OH 2.94Å; L269-Y315 HydrophobicContact CD1-CD1 3.91Å; L269-Y315 HydrophobicContact CD1-CE1 4.39Å; L269-Y315 HydrophobicContact CD2-CD1 4.07Å; L269-Y315 HydrophobicContact CD2-CE1 4.28Å; H310-Y315 HydrophobicContact CB-CD2 4.37Å; H310-Y315 HydrophobicContact CB-CE2 4.01Å; H310-Y315 VanDerWaalsContact O-CD2 3.26Å; H310-Y315 WeakPolarHBondContact O-CD2 3.37Å; C312-Y315 PolarHBondContact O-N 3Å; D313-Y315 VanDerWaalsContact C-N 3.34Å; D313-Y315 PolarHBondContact O-N 3.35Å; Y315-D317 VanDerWaalsContact C-N 3.26Å; Y315-D317 PolarHBondContact O-N 3.26Å; Y315-L318 WeakPolarHBondContact O-CB 3.22Å; Y315-L318 PolarHBondContact O-N 3.22Å; Y315-L318 VanDerWaalsContact O-N 3.15Å; Y315-F319 PolarHBondContact O-N 3.34Å |
| 316 | R | 92.7 | Very high | 90.5 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -49.9 | -46.7 | -179.4 | -178.3 | -161.5 | 175.9 | -82.3 | -5.2 | 112.9 | C312 D313 F319 M320 M339 V342 D343 | C312-R316 PolarHBondContact O-N 3.14Å; C312-R316 VanDerWaalsContact O-N 3.15Å; D313-R316 VanDerWaalsContact O-CB 3.26Å; D313-R316 WeakPolarHBondContact O-CB 3.39Å; D313-R316 PolarHBondContact O-N 3.36Å; R316-F319 WeakPolarHBondContact O-CB 3.06Å; R316-F319 PolarHBondContact O-N 3.1Å; R316-M320 PolarHBondContact O-N 3.4Å; R316-M339 HydrophobicContact CG-CE 4.08Å; R316-V342 HydrophobicContact CG-CG1 4.02Å; R316-D343 IonicContact CZ-OD1 2.77Å; R316-D343 IonicContact NE-OD1 3.73Å; R316-D343 PolarHBondContact NE-OD1 3.35Å; R316-D343 IonicContact NH2-OD1 3.43Å; R316-D343 PolarHBondContact NH2-OD1 3.12Å; R316-D343 IonicContact NH2-OD2 2.63Å; R316-D343 PolarHBondContact NH2-OD2 3.1Å |
| 317 | D | 92.5 | Very high | 89.8 | Confident | 75 Ų | 75 | 38.6 Ų | 38.6 | 40% | 0.401 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.5 | -36.1 | -175.9 | -73.9 | -5.8 | 0 | 0 | 0 | 111.8 | Y315 M320 K321 | Y315-D317 VanDerWaalsContact C-N 3.26Å; Y315-D317 PolarHBondContact O-N 3.26Å; D317-M320 PolarHBondContact O-N 3.16Å; D317-K321 WeakPolarHBondContact O-CB 3.41Å; D317-K321 VanDerWaalsContact O-CG 3.24Å; D317-K321 WeakPolarHBondContact O-CG 3.45Å; D317-K321 PolarHBondContact O-N 3.14Å |
| 318 | L | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 170.1 | 173.9 | 64.3 | 0 | 0 | 0 | 110.5 | L257 L269 C272 I273 I276 I307 Y315 M320 K321 L322 | L257-L318 HydrophobicContact CD1-CD2 3.54Å; L269-L318 HydrophobicContact CD1-CB 3.76Å; L269-L318 HydrophobicContact CD1-CD2 3.72Å; L269-L318 HydrophobicContact CD1-CG 4.3Å; C272-L318 HydrophobicContact CB-CD1 3.71Å; C272-L318 HydrophobicContact CB-CD2 3.74Å; C272-L318 HydrophobicContact CB-CG 4.39Å; I273-L318 HydrophobicContact CG1-CB 4.39Å; I273-L318 HydrophobicContact CG1-CD1 4.26Å; I276-L318 HydrophobicContact CG1-CD1 3.91Å; I307-L318 HydrophobicContact CD1-CD2 3.86Å; I307-L318 HydrophobicContact CD1-CG 4.06Å; I307-L318 HydrophobicContact CG1-CD2 4.49Å; Y315-L318 WeakPolarHBondContact O-CB 3.22Å; Y315-L318 PolarHBondContact O-N 3.22Å; Y315-L318 VanDerWaalsContact O-N 3.15Å; L318-M320 PolarHBondContact O-N 3.48Å; L318-K321 PolarHBondContact O-N 3.49Å; L318-L322 WeakPolarHBondContact O-CB 3.49Å; L318-L322 PolarHBondContact O-N 3.15Å |
| 319 | F | 93.5 | Very high | 89 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 178.7 | -177.6 | -104.3 | 0 | 0 | 0 | 111.7 | L304 I307 L308 M311 Y315 R316 K321 L322 L323 I338 M339 V342 | L304-F319 HydrophobicContact CD2-CD2 4.14Å; L304-F319 HydrophobicContact CD2-CE2 3.68Å; L304-F319 HydrophobicContact CD2-CZ 4.48Å; I307-F319 HydrophobicContact CB-CD2 4.45Å; I307-F319 HydrophobicContact CG2-CB 3.99Å; I307-F319 HydrophobicContact CG2-CD2 3.86Å; I307-F319 HydrophobicContact CG2-CG 4.37Å; L308-F319 HydrophobicContact CD1-CE2 4.18Å; L308-F319 HydrophobicContact CD1-CZ 4.48Å; L308-F319 HydrophobicContact CD2-CD2 4.15Å; L308-F319 HydrophobicContact CD2-CE1 4.42Å; L308-F319 HydrophobicContact CD2-CE2 3.41Å; L308-F319 VanDerWaalsContact CD2-CE2 3.41Å; L308-F319 HydrophobicContact CD2-CZ 3.57Å; L308-F319 HydrophobicContact CG-CD2 4.49Å; L308-F319 HydrophobicContact CG-CE2 3.7Å; L308-F319 HydrophobicContact CG-CZ 4.24Å; M311-F319 HydrophobicContact CE-CB 3.82Å; M311-F319 HydrophobicContact CE-CD1 3.93Å; M311-F319 HydrophobicContact CE-CD2 3.6Å; M311-F319 HydrophobicContact CE-CE1 4.38Å; M311-F319 HydrophobicContact CE-CE2 4.1Å; M311-F319 HydrophobicContact CE-CG 3.5Å; M311-F319 VanDerWaalsContact CE-CG 3.5Å; M311-F319 HydrophobicContact CE-CZ 4.46Å; Y315-F319 PolarHBondContact O-N 3.34Å; R316-F319 WeakPolarHBondContact O-CB 3.06Å; R316-F319 PolarHBondContact O-N 3.1Å; F319-K321 VanDerWaalsContact C-N 3.34Å; F319-K321 PolarHBondContact O-N 2.84Å; F319-L322 WeakPolarHBondContact O-CB 3.5Å; F319-L322 PolarHBondContact O-N 3.35Å; F319-L323 HydrophobicContact CD1-CD1 3.92Å; F319-L323 HydrophobicContact CD1-CG 4.34Å; F319-L323 HydrophobicContact CE1-CD1 3.38Å; F319-L323 HydrophobicContact CE1-CD2 4.47Å; F319-L323 HydrophobicContact CE1-CG 3.99Å; F319-L323 HydrophobicContact CE2-CD2 4.47Å; F319-L323 HydrophobicContact CZ-CD1 3.84Å; F319-L323 HydrophobicContact CZ-CD2 4.1Å; F319-L323 HydrophobicContact CZ-CG 4.1Å; F319-L323 WeakPolarHBondContact O-CG 3.35Å; F319-L323 PolarHBondContact O-N 3.35Å; F319-I338 HydrophobicContact CE1-CG2 3.92Å; F319-I338 HydrophobicContact CZ-CG2 4.32Å; F319-M339 HydrophobicContact CD1-SD 4.21Å; F319-V342 HydrophobicContact CD1-CG1 4.46Å; F319-V342 HydrophobicContact CD1-CG2 3.83Å; F319-V342 HydrophobicContact CE1-CG2 3.53Å; F319-V342 HydrophobicContact CZ-CG2 4.41Å |
| 320 | M | 93.1 | Very high | 88.9 | Confident | 58 Ų | 58 | 44 Ų | 44 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.7 | -48.8 | 175.2 | -175.3 | -172.4 | 65.3 | 0 | 0 | 111.3 | R316 D317 L318 L322 L323 I324 M339 | R316-M320 PolarHBondContact O-N 3.4Å; D317-M320 PolarHBondContact O-N 3.16Å; L318-M320 PolarHBondContact O-N 3.48Å; M320-L322 VanDerWaalsContact C-N 3.29Å; M320-L322 PolarHBondContact O-N 2.84Å; M320-L323 PolarHBondContact O-N 2.58Å; M320-I324 HydrophobicContact CG-CD1 4.08Å; M320-I324 VanDerWaalsContact O-CG1 3.31Å; M320-I324 WeakPolarHBondContact O-CG1 3.26Å; M320-I324 PolarHBondContact O-N 3.47Å; M320-I324 VanDerWaalsContact O-N 3.13Å; M320-M339 HydrophobicContact CB-CE 3.7Å; M320-M339 HydrophobicContact CB-SD 3.75Å; M320-M339 HydrophobicContact CG-CE 4.08Å; M320-M339 HydrophobicContact CG-CG 4.38Å; M320-M339 HydrophobicContact CG-SD 3.91Å |
| 321 | K | 91.9 | Very high | 88.7 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 17% | 0.17 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 179.2 | -71.7 | 172.2 | 173.9 | -71 | 0 | 111.5 | I273 I276 E277 D317 L318 F319 I324 I325 | I273-K321 HydrophobicContact CG2-CD 4.21Å; I276-K321 HydrophobicContact CG2-CB 3.44Å; I276-K321 VanDerWaalsContact CG2-CB 3.44Å; I276-K321 HydrophobicContact CG2-CD 4.43Å; I276-K321 HydrophobicContact CG2-CG 4.47Å; E277-K321 IonicContact OE2-NZ 3.09Å; E277-K321 PolarHBondContact OE2-NZ 3.04Å; D317-K321 WeakPolarHBondContact O-CB 3.41Å; D317-K321 VanDerWaalsContact O-CG 3.24Å; D317-K321 WeakPolarHBondContact O-CG 3.45Å; D317-K321 PolarHBondContact O-N 3.14Å; L318-K321 PolarHBondContact O-N 3.49Å; F319-K321 VanDerWaalsContact C-N 3.34Å; F319-K321 PolarHBondContact O-N 2.84Å; K321-I324 PolarHBondContact O-N 3.35Å; K321-I325 WeakPolarHBondContact O-CG1 3.46Å; K321-I325 PolarHBondContact O-N 3.47Å |
| 322 | L | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.8 | -166.1 | 73.1 | 0 | 0 | 0 | 111.9 | I254 I276 L298 W300 A303 L304 I307 L318 F319 M320 I324 I325 R326 | I254-L322 HydrophobicContact CD1-CD1 4.38Å; I276-L322 HydrophobicContact CD1-CD1 3.75Å; I276-L322 HydrophobicContact CG1-CD1 4.06Å; L298-L322 HydrophobicContact CD2-CD1 4.35Å; W300-L322 HydrophobicContact CE3-CD1 3.81Å; W300-L322 HydrophobicContact CE3-CG 4.12Å; W300-L322 HydrophobicContact CZ3-CD1 3.45Å; W300-L322 VanDerWaalsContact CZ3-CD1 3.45Å; W300-L322 HydrophobicContact CZ3-CG 4Å; A303-L322 HydrophobicContact CB-CD2 4.08Å; L304-L322 HydrophobicContact CD2-CD2 3.6Å; L304-L322 HydrophobicContact CD2-CG 4.18Å; L304-L322 HydrophobicContact CG-CD2 3.76Å; L304-L322 HydrophobicContact CG-CG 4.49Å; I307-L322 HydrophobicContact CD1-CD2 3.65Å; L318-L322 WeakPolarHBondContact O-CB 3.49Å; L318-L322 PolarHBondContact O-N 3.15Å; F319-L322 WeakPolarHBondContact O-CB 3.5Å; F319-L322 PolarHBondContact O-N 3.35Å; M320-L322 VanDerWaalsContact C-N 3.29Å; M320-L322 PolarHBondContact O-N 2.84Å; L322-I324 VanDerWaalsContact C-N 3.32Å; L322-I324 PolarHBondContact O-N 2.94Å; L322-I325 HydrophobicContact CD1-CD1 4.31Å; L322-I325 VanDerWaalsContact O-CG1 3.31Å; L322-I325 WeakPolarHBondContact O-CG1 3.44Å; L322-I325 PolarHBondContact O-N 3.18Å; L322-R326 PolarHBondContact O-N 3.11Å |
| 323 | L | 90.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -36 | 175 | -69.9 | -177.7 | 0 | 0 | 0 | 112.9 | L304 F319 M320 I325 R326 I330 L335 I338 M339 | L304-L323 HydrophobicContact CD2-CD2 3.72Å; L304-L323 HydrophobicContact CD2-CG 4.48Å; F319-L323 HydrophobicContact CD1-CD1 3.92Å; F319-L323 HydrophobicContact CD1-CG 4.34Å; F319-L323 HydrophobicContact CE1-CD1 3.38Å; F319-L323 HydrophobicContact CE1-CD2 4.47Å; F319-L323 HydrophobicContact CE1-CG 3.99Å; F319-L323 HydrophobicContact CE2-CD2 4.47Å; F319-L323 HydrophobicContact CZ-CD1 3.84Å; F319-L323 HydrophobicContact CZ-CD2 4.1Å; F319-L323 HydrophobicContact CZ-CG 4.1Å; F319-L323 WeakPolarHBondContact O-CG 3.35Å; F319-L323 PolarHBondContact O-N 3.35Å; M320-L323 PolarHBondContact O-N 2.58Å; L323-I325 VanDerWaalsContact C-N 3.35Å; L323-R326 WeakPolarHBondContact O-CB 3.49Å; L323-R326 PolarHBondContact O-N 2.9Å; L323-I330 HydrophobicContact CB-CD1 4.12Å; L323-I330 HydrophobicContact CD2-CD1 3.71Å; L323-I330 HydrophobicContact CG-CD1 4.37Å; L323-L335 HydrophobicContact CB-CD1 3.83Å; L323-L335 HydrophobicContact CD1-CD1 3.76Å; L323-L335 HydrophobicContact CG-CD1 4.49Å; L323-I338 HydrophobicContact CD1-CB 4.4Å; L323-I338 HydrophobicContact CD1-CD1 4.44Å; L323-I338 HydrophobicContact CD1-CG2 3.79Å; L323-M339 HydrophobicContact CD1-SD 4.3Å |
| 324 | I | 89 | Confident | 88.4 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 36% | 0.359 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | -179.2 | -71.9 | 165.6 | 0 | 0 | 0 | 111.8 | M320 K321 L322 R326 L335 | M320-I324 HydrophobicContact CG-CD1 4.08Å; M320-I324 VanDerWaalsContact O-CG1 3.31Å; M320-I324 WeakPolarHBondContact O-CG1 3.26Å; M320-I324 PolarHBondContact O-N 3.47Å; M320-I324 VanDerWaalsContact O-N 3.13Å; K321-I324 PolarHBondContact O-N 3.35Å; L322-I324 VanDerWaalsContact C-N 3.32Å; L322-I324 PolarHBondContact O-N 2.94Å; I324-R326 VanDerWaalsContact C-N 3.34Å; I324-L335 HydrophobicContact CG1-CD2 4.21Å |
| 325 | I | 85.8 | Confident | 88.2 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.7 | -177.3 | 58.3 | 173.2 | 0 | 0 | 0 | 113.6 | I276 I279 R280 W300 K321 L322 L323 | I276-I325 HydrophobicContact CB-CD1 3.98Å; I276-I325 HydrophobicContact CD1-CD1 3.69Å; I276-I325 HydrophobicContact CG1-CD1 3.99Å; I276-I325 HydrophobicContact CG2-CD1 3.53Å; I276-I325 HydrophobicContact CG2-CG1 4.38Å; I279-I325 HydrophobicContact CB-CD1 4.19Å; I279-I325 HydrophobicContact CD1-CD1 4.35Å; I279-I325 HydrophobicContact CG2-CB 4.15Å; I279-I325 HydrophobicContact CG2-CD1 3.95Å; I279-I325 HydrophobicContact CG2-CG2 4.4Å; R280-I325 HydrophobicContact CB-CG2 3.63Å; R280-I325 HydrophobicContact CG-CG2 4.02Å; W300-I325 HydrophobicContact CH2-CB 4.06Å; W300-I325 HydrophobicContact CH2-CD1 3.41Å; W300-I325 VanDerWaalsContact CH2-CD1 3.41Å; W300-I325 HydrophobicContact CH2-CG1 3.37Å; W300-I325 HydrophobicContact CZ3-CD1 3.63Å; W300-I325 HydrophobicContact CZ3-CG1 3.51Å; K321-I325 WeakPolarHBondContact O-CG1 3.46Å; K321-I325 PolarHBondContact O-N 3.47Å; L322-I325 HydrophobicContact CD1-CD1 4.31Å; L322-I325 VanDerWaalsContact O-CG1 3.31Å; L322-I325 WeakPolarHBondContact O-CG1 3.44Å; L322-I325 PolarHBondContact O-N 3.18Å; L323-I325 VanDerWaalsContact C-N 3.35Å |
| 326 | R | 82.5 | Confident | 87.9 | Confident | 51 Ų | 51 | 60 Ų | 60 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | trans | -64.4 | 139.8 | 176.9 | -177.5 | -176.2 | 175.7 | -89.4 | 3.8 | 111 | L322 L323 I324 P328 P329 | L322-R326 PolarHBondContact O-N 3.11Å; L323-R326 WeakPolarHBondContact O-CB 3.49Å; L323-R326 PolarHBondContact O-N 2.9Å; I324-R326 VanDerWaalsContact C-N 3.34Å; R326-P328 PolarHBondContact NH1-O 3.27Å; R326-P328 CarbonylContact O-C 3.57Å; R326-P328 VanDerWaalsContact O-C 3.28Å; R326-P329 WeakPolarHBondContact O-CA 3.45Å | ||
| 327 | D | 77.5 | Confident | 87.5 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 73% | 0.733 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -115.4 | 123.9 | 171.3 | -169.8 | 27.9 | 0 | 0 | 0 | 110.2 | ||
| 328 | P | 81.7 | Confident | 87.1 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | S | Bend | cis | -67.6 | 152.8 | -3.6 | 29.3 | -35 | 0 | 0 | 0 | 112.8 | R326 | R326-P328 PolarHBondContact NH1-O 3.27Å; R326-P328 CarbonylContact O-C 3.57Å; R326-P328 VanDerWaalsContact O-C 3.28Å |
| 329 | P | 84.1 | Confident | 86.8 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 62% | 0.617 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 145 | 180 | 25.8 | -34.1 | 0 | 0 | 0 | 111.5 | R326 | R326-P329 WeakPolarHBondContact O-CA 3.45Š|
| 330 | I | 84 | Confident | 86.5 | Confident | 29 Ų | 29 | 60 Ų | 60 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 129.8 | 177.8 | -58.7 | 176.3 | 0 | 0 | 0 | 109 | L323 K334 L335 I338 | L323-I330 HydrophobicContact CB-CD1 4.12Å; L323-I330 HydrophobicContact CD2-CD1 3.71Å; L323-I330 HydrophobicContact CG-CD1 4.37Å; I330-K334 HydrophobicContact CG2-CB 3.87Å; I330-L335 HydrophobicContact CG2-CB 4.2Å; I330-I338 HydrophobicContact CD1-CD1 4.28Å; I330-I338 HydrophobicContact CG2-CD1 4.31Å |
| 331 | P | 87.1 | Confident | 86 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 41% | 0.409 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 140.1 | 172.8 | -28.5 | 36 | 0 | 0 | 0 | 112.7 | D333 K334 L335 | P331-D333 VanDerWaalsContact C-N 3.29Å; P331-D333 WeakPolarHBondContact CB-OD1 3.1Å; P331-D333 PolarHBondContact O-N 3.29Å; P331-K334 HydrophobicContact CB-CB 4.44Å; P331-K334 HydrophobicContact CB-CD 4.43Å; P331-K334 HydrophobicContact CB-CG 4.31Å; P331-K334 HydrophobicContact CG-CD 4.2Å; P331-K334 WeakPolarHBondContact O-CB 3.45Å; P331-K334 PolarHBondContact O-N 2.92Å; P331-L335 PolarHBondContact O-N 3.26Å |
| 332 | Q | 89.3 | Confident | 85.7 | Confident | 124 Ų | 124 | 57 Ų | 57 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.7 | -33.6 | -171 | -168.8 | 66.1 | 5 | 0 | 0 | 113.5 | K336 | Q332-K336 WeakPolarHBondContact O-CG 3.42Å; Q332-K336 PolarHBondContact O-N 3.3Å |
| 333 | D | 86.6 | Confident | 85.6 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 57% | 0.567 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.5 | -48.3 | 173 | 60.6 | -51.1 | 0 | 0 | 0 | 111 | P331 K336 V337 | P331-D333 VanDerWaalsContact C-N 3.29Å; P331-D333 WeakPolarHBondContact CB-OD1 3.1Å; P331-D333 PolarHBondContact O-N 3.29Å; D333-K336 PolarHBondContact O-N 3.09Å; D333-V337 WeakPolarHBondContact O-CG2 3.49Å; D333-V337 PolarHBondContact O-N 3.11Å |
| 334 | K | 83.9 | Confident | 85.3 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 48% | 0.478 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 175.2 | -67 | -173.5 | -179.3 | -178.9 | 0 | 110.3 | I330 P331 K336 V337 I338 | I330-K334 HydrophobicContact CG2-CB 3.87Å; P331-K334 HydrophobicContact CB-CB 4.44Å; P331-K334 HydrophobicContact CB-CD 4.43Å; P331-K334 HydrophobicContact CB-CG 4.31Å; P331-K334 HydrophobicContact CG-CD 4.2Å; P331-K334 WeakPolarHBondContact O-CB 3.45Å; P331-K334 PolarHBondContact O-N 2.92Å; K334-K336 VanDerWaalsContact C-N 3.26Å; K334-K336 PolarHBondContact O-N 2.92Å; K334-V337 WeakPolarHBondContact O-CA 3.38Å; K334-V337 WeakPolarHBondContact O-CB 3.49Å; K334-V337 PolarHBondContact O-N 3.5Å; K334-I338 VanDerWaalsContact O-CG1 3.31Å; K334-I338 WeakPolarHBondContact O-CG1 3.48Å; K334-I338 PolarHBondContact O-N 2.91Å |
| 335 | L | 87.1 | Confident | 85 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.5 | -43 | -179.9 | -177.7 | 63.5 | 0 | 0 | 0 | 112.2 | L323 I324 I330 P331 V337 I338 M339 | L323-L335 HydrophobicContact CB-CD1 3.83Å; L323-L335 HydrophobicContact CD1-CD1 3.76Å; L323-L335 HydrophobicContact CG-CD1 4.49Å; I324-L335 HydrophobicContact CG1-CD2 4.21Å; I330-L335 HydrophobicContact CG2-CB 4.2Å; P331-L335 PolarHBondContact O-N 3.26Å; L335-V337 PolarHBondContact O-N 3.28Å; L335-I338 PolarHBondContact O-N 3.41Å; L335-M339 HydrophobicContact CD1-CG 4.29Å; L335-M339 WeakPolarHBondContact O-CB 3.47Å; L335-M339 WeakPolarHBondContact O-CG 3.39Å; L335-M339 PolarHBondContact O-N 2.94Å |
| 336 | K | 87.2 | Confident | 84.9 | Confident | 142 Ų | 142 | 57 Ų | 57 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 175.4 | -76.6 | 175.8 | -179.7 | -177.7 | 0 | 112.6 | Q332 D333 K334 M339 S340 | Q332-K336 WeakPolarHBondContact O-CG 3.42Å; Q332-K336 PolarHBondContact O-N 3.3Å; D333-K336 PolarHBondContact O-N 3.09Å; K334-K336 VanDerWaalsContact C-N 3.26Å; K334-K336 PolarHBondContact O-N 2.92Å; K336-M339 PolarHBondContact O-N 3.42Å; K336-S340 WeakPolarHBondContact O-CB 3.34Å; K336-S340 PolarHBondContact O-N 3.02Å |
| 337 | V | 84.3 | Confident | 84.9 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 35% | 0.345 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | D333 K334 L335 M339 S340 H341 L379 | D333-V337 WeakPolarHBondContact O-CG2 3.49Å; D333-V337 PolarHBondContact O-N 3.11Å; K334-V337 WeakPolarHBondContact O-CA 3.38Å; K334-V337 WeakPolarHBondContact O-CB 3.49Å; K334-V337 PolarHBondContact O-N 3.5Å; L335-V337 PolarHBondContact O-N 3.28Å; V337-M339 VanDerWaalsContact C-N 3.35Å; V337-M339 PolarHBondContact O-N 3.13Å; V337-S340 PolarHBondContact O-N 2.87Å; V337-S340 PolarHBondContact O-OG 3.21Å; V337-H341 PolarHBondContact O-N 3Å; V337-H341 VanDerWaalsContact O-N 3.15Å; V337-H341 PolarHBondContact O-ND1 3.33Å; V337-L379 WeakPolarHBondContact CG1-O 3.3Å |
| 338 | I | 85.3 | Confident | 85.2 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -50.4 | 177 | -54.1 | -176.7 | 0 | 0 | 0 | 110 | F319 L323 I330 K334 L335 S340 H341 V342 L379 | F319-I338 HydrophobicContact CE1-CG2 3.92Å; F319-I338 HydrophobicContact CZ-CG2 4.32Å; L323-I338 HydrophobicContact CD1-CB 4.4Å; L323-I338 HydrophobicContact CD1-CD1 4.44Å; L323-I338 HydrophobicContact CD1-CG2 3.79Å; I330-I338 HydrophobicContact CD1-CD1 4.28Å; I330-I338 HydrophobicContact CG2-CD1 4.31Å; K334-I338 VanDerWaalsContact O-CG1 3.31Å; K334-I338 WeakPolarHBondContact O-CG1 3.48Å; K334-I338 PolarHBondContact O-N 2.91Å; L335-I338 PolarHBondContact O-N 3.41Å; I338-S340 VanDerWaalsContact C-N 3.3Å; I338-S340 PolarHBondContact O-N 2.69Å; I338-H341 WeakPolarHBondContact O-CB 3.31Å; I338-H341 PolarHBondContact O-N 3Å; I338-H341 VanDerWaalsContact O-N 3.08Å; I338-V342 WeakPolarHBondContact O-CG2 3.39Å; I338-V342 PolarHBondContact O-N 3.26Å; I338-L379 HydrophobicContact CB-CD1 4.29Å; I338-L379 HydrophobicContact CD1-CD1 3.34Å; I338-L379 HydrophobicContact CG1-CB 4.32Å; I338-L379 HydrophobicContact CG1-CD1 3.33Å; I338-L379 HydrophobicContact CG1-CG 4.4Å; I338-L379 HydrophobicContact CG2-CD1 4.16Å |
| 339 | M | 88.7 | Confident | 85.1 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -35.2 | -178.5 | -69.3 | -50.9 | -52.8 | 0 | 0 | 112.4 | R316 F319 M320 L323 L335 K336 V337 H341 V342 D343 | R316-M339 HydrophobicContact CG-CE 4.08Å; F319-M339 HydrophobicContact CD1-SD 4.21Å; M320-M339 HydrophobicContact CB-CE 3.7Å; M320-M339 HydrophobicContact CB-SD 3.75Å; M320-M339 HydrophobicContact CG-CE 4.08Å; M320-M339 HydrophobicContact CG-CG 4.38Å; M320-M339 HydrophobicContact CG-SD 3.91Å; L323-M339 HydrophobicContact CD1-SD 4.3Å; L335-M339 HydrophobicContact CD1-CG 4.29Å; L335-M339 WeakPolarHBondContact O-CB 3.47Å; L335-M339 WeakPolarHBondContact O-CG 3.39Å; L335-M339 PolarHBondContact O-N 2.94Å; K336-M339 PolarHBondContact O-N 3.42Å; V337-M339 VanDerWaalsContact C-N 3.35Å; V337-M339 PolarHBondContact O-N 3.13Å; M339-H341 VanDerWaalsContact C-N 3.27Å; M339-H341 PolarHBondContact O-N 3.43Å; M339-V342 PolarHBondContact O-N 3.16Å; M339-D343 WeakPolarHBondContact O-CB 3.39Å; M339-D343 PolarHBondContact O-N 3.24Å |
| 340 | S | 85.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 55 Ų | 55 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -31.5 | 174.9 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | K336 V337 I338 V344 | K336-S340 WeakPolarHBondContact O-CB 3.34Å; K336-S340 PolarHBondContact O-N 3.02Å; V337-S340 PolarHBondContact O-N 2.87Å; V337-S340 PolarHBondContact O-OG 3.21Å; I338-S340 VanDerWaalsContact C-N 3.3Å; I338-S340 PolarHBondContact O-N 2.69Å; S340-V344 VanDerWaalsContact O-CG2 3.28Å; S340-V344 WeakPolarHBondContact O-CG2 3.43Å; S340-V344 PolarHBondContact O-N 3.42Å |
| 341 | H | 83.6 | Confident | 84.5 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.3 | -42.3 | 175.2 | -71.8 | 57.5 | 0 | 0 | 0 | 111.3 | V337 I338 M339 D343 V344 F345 L356 W366 | V337-H341 PolarHBondContact O-N 3Å; V337-H341 VanDerWaalsContact O-N 3.15Å; V337-H341 PolarHBondContact O-ND1 3.33Å; I338-H341 WeakPolarHBondContact O-CB 3.31Å; I338-H341 PolarHBondContact O-N 3Å; I338-H341 VanDerWaalsContact O-N 3.08Å; M339-H341 VanDerWaalsContact C-N 3.27Å; M339-H341 PolarHBondContact O-N 3.43Å; H341-D343 VanDerWaalsContact C-N 3.32Å; H341-V344 PolarHBondContact O-N 3.43Å; H341-F345 WeakPolarHBondContact O-CB 3.19Å; H341-F345 PolarHBondContact O-N 2.9Å; H341-L356 HydrophobicContact CB-CD2 3.93Å; H341-L356 VanDerWaalsContact CD2-CD2 3.45Å; H341-L356 WeakPolarHBondContact CD2-CD2 3.35Å; H341-W366 HydrophobicContact CB-CZ2 4.2Å |
| 342 | V | 86.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | M311 R316 F319 I338 M339 V344 F345 C346 | M311-V342 HydrophobicContact CE-CG1 4.22Å; M311-V342 HydrophobicContact CE-CG2 4.47Å; M311-V342 HydrophobicContact CG-CG1 4.38Å; M311-V342 HydrophobicContact SD-CG1 3.82Å; R316-V342 HydrophobicContact CG-CG1 4.02Å; F319-V342 HydrophobicContact CD1-CG1 4.46Å; F319-V342 HydrophobicContact CD1-CG2 3.83Å; F319-V342 HydrophobicContact CE1-CG2 3.53Å; F319-V342 HydrophobicContact CZ-CG2 4.41Å; I338-V342 WeakPolarHBondContact O-CG2 3.39Å; I338-V342 PolarHBondContact O-N 3.26Å; M339-V342 PolarHBondContact O-N 3.16Å; V342-V344 VanDerWaalsContact C-N 3.32Å; V342-V344 PolarHBondContact O-N 3.09Å; V342-F345 WeakPolarHBondContact O-CB 3.47Å; V342-F345 PolarHBondContact O-N 3.42Å; V342-F345 VanDerWaalsContact O-N 3.16Å; V342-C346 WeakPolarHBondContact O-CB 3.31Å; V342-C346 PolarHBondContact O-N 2.86Å; V342-C346 PolarHBondContact O-SG 3.1Å |
| 343 | D | 87.5 | Confident | 82.8 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.1 | -47.8 | 176 | -77.4 | -30.3 | 0 | 0 | 0 | 111.4 | R316 M339 H341 C346 G347 R348 V350 | R316-D343 IonicContact CZ-OD1 2.77Å; R316-D343 IonicContact NE-OD1 3.73Å; R316-D343 PolarHBondContact NE-OD1 3.35Å; R316-D343 IonicContact NH2-OD1 3.43Å; R316-D343 PolarHBondContact NH2-OD1 3.12Å; R316-D343 IonicContact NH2-OD2 2.63Å; R316-D343 PolarHBondContact NH2-OD2 3.1Å; M339-D343 WeakPolarHBondContact O-CB 3.39Å; M339-D343 PolarHBondContact O-N 3.24Å; H341-D343 VanDerWaalsContact C-N 3.32Å; D343-C346 CarbonylContact O-C 3.28Å; D343-C346 PolarHBondContact O-N 3.04Å; D343-G347 PolarHBondContact O-N 3.41Å; D343-R348 HydrophobicContact CB-CB 4.13Å; D343-R348 WeakPolarHBondContact O-CA 3.47Å; D343-R348 VanDerWaalsContact O-CB 3.32Å; D343-R348 WeakPolarHBondContact O-CB 3.27Å; D343-R348 PolarHBondContact O-N 3.29Å; D343-R348 WeakPolarHBondContact OD1-CD 3.34Å; D343-V350 HydrophobicContact CB-CG2 3.34Å |
| 344 | V | 83.6 | Confident | 82 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | S340 H341 V342 C346 G347 V350 T353 L356 R357 V360 | S340-V344 VanDerWaalsContact O-CG2 3.28Å; S340-V344 WeakPolarHBondContact O-CG2 3.43Å; S340-V344 PolarHBondContact O-N 3.42Å; H341-V344 PolarHBondContact O-N 3.43Å; V342-V344 VanDerWaalsContact C-N 3.32Å; V342-V344 PolarHBondContact O-N 3.09Å; V344-C346 VanDerWaalsContact C-N 3.31Å; V344-C346 PolarHBondContact O-N 3.25Å; V344-G347 PolarHBondContact O-N 2.88Å; V344-V350 HydrophobicContact CG2-CB 3.9Å; V344-V350 HydrophobicContact CG2-CG2 3.87Å; V344-T353 VanDerWaalsContact CG2-CB 3.48Å; V344-T353 HydrophobicContact CG2-CG2 3.75Å; V344-T353 WeakPolarHBondContact CG2-OG1 3.47Å; V344-L356 HydrophobicContact CB-CD2 3.87Å; V344-L356 HydrophobicContact CG1-CB 4.32Å; V344-L356 HydrophobicContact CG1-CD2 3.89Å; V344-L356 HydrophobicContact CG1-CG 4.06Å; V344-L356 HydrophobicContact CG2-CD2 4.09Å; V344-R357 HydrophobicContact CG1-CB 4.4Å; V344-R357 HydrophobicContact CG1-CG 3.63Å; V344-V360 HydrophobicContact CG1-CG2 4.27Å |
| 345 | F | 82.6 | Confident | 81.4 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 177 | -172.4 | -90 | 0 | 0 | 0 | 112 | M311 H341 V342 G347 V360 W366 | M311-F345 HydrophobicContact CB-CD1 3.9Å; M311-F345 HydrophobicContact CB-CE1 3.64Å; M311-F345 HydrophobicContact CG-CD1 3.59Å; M311-F345 HydrophobicContact CG-CE1 3.9Å; M311-F345 WeakPolarHBondContact O-CE1 3.25Å; H341-F345 WeakPolarHBondContact O-CB 3.19Å; H341-F345 PolarHBondContact O-N 2.9Å; V342-F345 WeakPolarHBondContact O-CB 3.47Å; V342-F345 PolarHBondContact O-N 3.42Å; V342-F345 VanDerWaalsContact O-N 3.16Å; F345-G347 PolarHBondContact O-N 3Å; F345-V360 HydrophobicContact CD2-CG1 3.97Å; F345-V360 HydrophobicContact CD2-CG2 4.19Å; F345-V360 HydrophobicContact CE2-CG1 4.46Å; F345-W366 AromaticContact CD2-CD1 3.49Å; F345-W366 VanDerWaalsContact CD2-CD1 3.49Å; F345-W366 HydrophobicContact CD2-CG 4.38Å; F345-W366 AromaticContact CD2-NE1 3.88Å; F345-W366 HydrophobicContact CE2-CB 4.44Å; F345-W366 AromaticContact CE2-CD1 3.67Å; F345-W366 HydrophobicContact CE2-CG 4.33Å |
| 346 | C | 84.6 | Confident | 80.3 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 4.2 | 175 | -63.9 | 0 | 0 | 0 | 0 | 113.6 | C312 D313 V342 D343 V344 R348 | C312-C346 PolarHBondContact O-SG 3.4Å; D313-C346 HydrophobicContact CB-CB 4.24Å; V342-C346 WeakPolarHBondContact O-CB 3.31Å; V342-C346 PolarHBondContact O-N 2.86Å; V342-C346 PolarHBondContact O-SG 3.1Å; D343-C346 CarbonylContact O-C 3.28Å; D343-C346 PolarHBondContact O-N 3.04Å; V344-C346 VanDerWaalsContact C-N 3.31Å; V344-C346 PolarHBondContact O-N 3.25Å; C346-R348 PolarHBondContact O-N 3.45Å |
| 347 | G | 82 | Confident | 79.3 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 14.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D343 V344 F345 | D343-G347 PolarHBondContact O-N 3.41Å; V344-G347 PolarHBondContact O-N 2.88Å; F345-G347 PolarHBondContact O-N 3Å |
| 348 | R | 84.3 | Confident | 78.7 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | trans | -76.3 | 145.9 | 175.3 | -60.6 | -173.7 | 176.9 | -157.8 | -0.9 | 110.9 | D313 D343 C346 V350 | D313-R348 IonicContact OD1-CZ 2.75Å; D313-R348 IonicContact OD1-NE 2.75Å; D313-R348 PolarHBondContact OD1-NE 3.37Å; D313-R348 IonicContact OD1-NH2 3.36Å; D313-R348 PolarHBondContact OD1-NH2 2.58Å; D313-R348 IonicContact OD2-NH2 3.1Å; D343-R348 HydrophobicContact CB-CB 4.13Å; D343-R348 WeakPolarHBondContact O-CA 3.47Å; D343-R348 VanDerWaalsContact O-CB 3.32Å; D343-R348 WeakPolarHBondContact O-CB 3.27Å; D343-R348 PolarHBondContact O-N 3.29Å; D343-R348 WeakPolarHBondContact OD1-CD 3.34Å; C346-R348 PolarHBondContact O-N 3.45Å; R348-V350 PolarHBondContact O-N 2.93Å; R348-V350 VanDerWaalsContact O-N 3.12Å | ||
| 349 | D | 79.7 | Confident | 77.9 | Confident | 138 Ų | 138 | 61.6 Ų | 61.6 | 74% | 0.738 | 33% | 0.326 | S | S | * | . | trans | -78.2 | 99.3 | -180 | -165.5 | 31.7 | 0 | 0 | 0 | 110.8 | R357 | D349-R357 IonicContact OD1-CZ 2.6Å; D349-R357 IonicContact OD1-NH1 2.74Å; D349-R357 PolarHBondContact OD1-NH1 3.25Å; D349-R357 IonicContact OD1-NH2 3.16Å; D349-R357 PolarHBondContact OD1-NH2 3.27Å | ||
| 350 | V | 78.4 | Confident | 76.7 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | trans | -105.7 | 128.2 | 175.5 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | D343 V344 R348 T353 R357 | D343-V350 HydrophobicContact CB-CG2 3.34Å; V344-V350 HydrophobicContact CG2-CB 3.9Å; V344-V350 HydrophobicContact CG2-CG2 3.87Å; R348-V350 PolarHBondContact O-N 2.93Å; R348-V350 VanDerWaalsContact O-N 3.12Å; V350-T353 HydrophobicContact CB-CG2 3.99Å; V350-T353 HydrophobicContact CG1-CG2 3.72Å; V350-T353 PolarHBondContact O-OG1 3.4Å; V350-R357 PolarHBondContact O-NH2 2.94Å | ||
| 351 | P | 77.1 | Confident | 75.7 | Confident | 104 Ų | 104 | 68 Ų | 68 | 68% | 0.675 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 147.2 | 174.6 | -23.7 | 33.4 | 0 | 0 | 0 | 112.7 | T353 | P351-T353 VanDerWaalsContact C-N 3.28Å; P351-T353 PolarHBondContact O-N 3.12Å |
| 352 | N | 71.1 | Confident | 74.8 | Confident | 171 Ų | 171 | 71.5 Ų | 71.5 | 91% | 0.914 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 19.1 | 173 | -54.8 | -33 | 0 | 0 | 0 | 116.6 | ||
| 353 | T | 69.8 | Low | 73.5 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 10% | 0.104 | 42% | 0.418 | C | S | . | . | trans | -110.6 | 22.7 | -179.8 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | V344 V350 P351 E355 L356 R357 | V344-T353 VanDerWaalsContact CG2-CB 3.48Å; V344-T353 HydrophobicContact CG2-CG2 3.75Å; V344-T353 WeakPolarHBondContact CG2-OG1 3.47Å; V350-T353 HydrophobicContact CB-CG2 3.99Å; V350-T353 HydrophobicContact CG1-CG2 3.72Å; V350-T353 PolarHBondContact O-OG1 3.4Å; P351-T353 VanDerWaalsContact C-N 3.28Å; P351-T353 PolarHBondContact O-N 3.12Å; T353-E355 VanDerWaalsContact C-N 3.27Å; T353-E355 PolarHBondContact O-N 2.95Å; T353-L356 PolarHBondContact O-N 3.22Å; T353-L356 VanDerWaalsContact O-N 3.09Å; T353-R357 PolarHBondContact O-N 3.26Å; T353-R357 PolarHBondContact OG1-NE 3.05Å | ||
| 354 | H | 70.2 | Confident | 72 | Confident | 127 Ų | 127 | 82.3 Ų | 82.3 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -56.1 | -39.4 | -175.7 | -176.1 | -87.5 | 0 | 0 | 0 | 113.3 | R357 K358 | H354-R357 PolarHBondContact O-N 2.89Å; H354-K358 WeakPolarHBondContact CE1-CE 2.94Å; H354-K358 PolarHBondContact O-N 2.98Å |
| 355 | E | 70.4 | Confident | 70.5 | Confident | 83 Ų | 83 | 84.1 Ų | 84.1 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70 | -40 | 177.9 | -163.4 | 61.2 | -165.8 | 0 | 0 | 112.2 | T353 R357 K358 Q359 | T353-E355 VanDerWaalsContact C-N 3.27Å; T353-E355 PolarHBondContact O-N 2.95Å; E355-R357 VanDerWaalsContact C-N 3.33Å; E355-R357 PolarHBondContact O-N 3.13Å; E355-K358 WeakPolarHBondContact O-CB 3.48Å; E355-K358 PolarHBondContact O-N 3.18Å; E355-Q359 PolarHBondContact O-N 2.9Å; E355-Q359 VanDerWaalsContact O-N 3.08Å |
| 356 | L | 65.3 | Low | 69.2 | Low | 30 Ų | 30 | 85.3 Ų | 85.3 | 16% | 0.157 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | 175.8 | -167.7 | 75.2 | 0 | 0 | 0 | 111.4 | H341 V344 T353 K358 Q359 V360 | H341-L356 HydrophobicContact CB-CD2 3.93Å; H341-L356 VanDerWaalsContact CD2-CD2 3.45Å; H341-L356 WeakPolarHBondContact CD2-CD2 3.35Å; V344-L356 HydrophobicContact CB-CD2 3.87Å; V344-L356 HydrophobicContact CG1-CB 4.32Å; V344-L356 HydrophobicContact CG1-CD2 3.89Å; V344-L356 HydrophobicContact CG1-CG 4.06Å; V344-L356 HydrophobicContact CG2-CD2 4.09Å; T353-L356 PolarHBondContact O-N 3.22Å; T353-L356 VanDerWaalsContact O-N 3.09Å; L356-K358 VanDerWaalsContact C-N 3.34Å; L356-K358 PolarHBondContact O-N 3.42Å; L356-Q359 WeakPolarHBondContact O-CB 3.42Å; L356-Q359 PolarHBondContact O-N 3.39Å; L356-V360 WeakPolarHBondContact O-CG2 3.46Å; L356-V360 PolarHBondContact O-N 3.3Å |
| 357 | R | 65.9 | Low | 67.5 | Low | 83 Ų | 83 | 93.6 Ų | 93.6 | 31% | 0.313 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 174 | -73.7 | -179.9 | -159.4 | -163.2 | 6.8 | 111.8 | V344 D349 V350 T353 H354 E355 Q359 V360 L361 | V344-R357 HydrophobicContact CG1-CB 4.4Å; V344-R357 HydrophobicContact CG1-CG 3.63Å; D349-R357 IonicContact OD1-CZ 2.6Å; D349-R357 IonicContact OD1-NH1 2.74Å; D349-R357 PolarHBondContact OD1-NH1 3.25Å; D349-R357 IonicContact OD1-NH2 3.16Å; D349-R357 PolarHBondContact OD1-NH2 3.27Å; V350-R357 PolarHBondContact O-NH2 2.94Å; T353-R357 PolarHBondContact O-N 3.26Å; T353-R357 PolarHBondContact OG1-NE 3.05Å; H354-R357 PolarHBondContact O-N 2.89Å; E355-R357 VanDerWaalsContact C-N 3.33Å; E355-R357 PolarHBondContact O-N 3.13Å; R357-Q359 VanDerWaalsContact C-N 3.32Å; R357-Q359 PolarHBondContact O-N 2.94Å; R357-V360 PolarHBondContact O-N 2.63Å; R357-L361 WeakPolarHBondContact O-CB 3.33Å; R357-L361 VanDerWaalsContact O-CG 3.28Å; R357-L361 WeakPolarHBondContact O-CG 3.32Å; R357-L361 PolarHBondContact O-N 2.83Å |
| 358 | K | 71.7 | Confident | 65.7 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 174.8 | -76.3 | -180 | 172.6 | 172.9 | 0 | 111.5 | H354 E355 L356 L361 C362 | H354-K358 WeakPolarHBondContact CE1-CE 2.94Å; H354-K358 PolarHBondContact O-N 2.98Å; E355-K358 WeakPolarHBondContact O-CB 3.48Å; E355-K358 PolarHBondContact O-N 3.18Å; L356-K358 VanDerWaalsContact C-N 3.34Å; L356-K358 PolarHBondContact O-N 3.42Å; K358-L361 PolarHBondContact O-N 3.4Å; K358-C362 PolarHBondContact O-N 3.26Å; K358-C362 VanDerWaalsContact O-N 3.08Å; K358-C362 PolarHBondContact O-SG 2.91Å |
| 359 | Q | 66.8 | Low | 63.7 | Low | 77 Ų | 77 | 90 Ų | 90 | 36% | 0.36 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 178.2 | -71.3 | 176.2 | -8.6 | 0 | 0 | 112.1 | E355 L356 R357 L361 C362 E363 | E355-Q359 PolarHBondContact O-N 2.9Å; E355-Q359 VanDerWaalsContact O-N 3.08Å; L356-Q359 WeakPolarHBondContact O-CB 3.42Å; L356-Q359 PolarHBondContact O-N 3.39Å; R357-Q359 VanDerWaalsContact C-N 3.32Å; R357-Q359 PolarHBondContact O-N 2.94Å; Q359-L361 VanDerWaalsContact C-N 3.3Å; Q359-L361 PolarHBondContact O-N 3.08Å; Q359-C362 PolarHBondContact O-N 3.08Å; Q359-C362 VanDerWaalsContact O-N 3.11Å; Q359-E363 PolarHBondContact O-N 2.8Å |
| 360 | V | 64.5 | Low | 61.9 | Low | 32 Ų | 32 | 90.2 Ų | 90.2 | 19% | 0.194 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 112 | V344 F345 L356 R357 C362 E363 | V344-V360 HydrophobicContact CG1-CG2 4.27Å; F345-V360 HydrophobicContact CD2-CG1 3.97Å; F345-V360 HydrophobicContact CD2-CG2 4.19Å; F345-V360 HydrophobicContact CE2-CG1 4.46Å; L356-V360 WeakPolarHBondContact O-CG2 3.46Å; L356-V360 PolarHBondContact O-N 3.3Å; R357-V360 PolarHBondContact O-N 2.63Å; V360-C362 VanDerWaalsContact C-N 3.33Å; V360-E363 CarbonylContact O-C 3.47Å |
| 361 | L | 65 | Low | 60.1 | Low | 147 Ų | 147 | 94.5 Ų | 94.5 | 77% | 0.77 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.1 | -30.8 | 176 | -71.9 | 170 | 0 | 0 | 0 | 113 | R357 K358 Q359 | R357-L361 WeakPolarHBondContact O-CB 3.33Å; R357-L361 VanDerWaalsContact O-CG 3.28Å; R357-L361 WeakPolarHBondContact O-CG 3.32Å; R357-L361 PolarHBondContact O-N 2.83Å; K358-L361 PolarHBondContact O-N 3.4Å; Q359-L361 VanDerWaalsContact C-N 3.3Å; Q359-L361 PolarHBondContact O-N 3.08Å |
| 362 | C | 63.7 | Low | 58.2 | Low | 105 Ų | 105 | 93.8 Ų | 93.8 | 71% | 0.709 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -83.5 | -33.4 | 178.8 | -69.3 | 0 | 0 | 0 | 0 | 113 | K358 Q359 V360 | K358-C362 PolarHBondContact O-N 3.26Å; K358-C362 VanDerWaalsContact O-N 3.08Å; K358-C362 PolarHBondContact O-SG 2.91Å; Q359-C362 PolarHBondContact O-N 3.08Å; Q359-C362 VanDerWaalsContact O-N 3.11Å; V360-C362 VanDerWaalsContact C-N 3.33Å |
| 363 | E | 59.9 | Low | 56.7 | Low | 150 Ų | 150 | 90.4 Ų | 90.4 | 70% | 0.701 | 48% | 0.483 | S | S | * | . | trans | -132.5 | 90.1 | -179.5 | -68.6 | -174.3 | 179.7 | 0 | 0 | 110.2 | Q359 V360 G365 | Q359-E363 PolarHBondContact O-N 2.8Å; V360-E363 CarbonylContact O-C 3.47Å; E363-G365 PolarHBondContact O-N 2.86Å | ||
| 364 | P | 54.5 | Low | 55.4 | Low | 105 Ų | 105 | 92.1 Ų | 92.1 | 68% | 0.682 | 49% | 0.487 | S | S | * | . | trans | -71.1 | 3.1 | -173.6 | 26.7 | -34 | 0 | 0 | 0 | 114.7 | ||||
| 365 | G | 53.1 | Low | 54.1 | Low | 46 Ų | 46 | 88.9 Ų | 88.9 | 47% | 0.474 | 48% | 0.483 | S | S | . | . | trans | -107.8 | 121.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E363 K367 | E363-G365 PolarHBondContact O-N 2.86Å; G365-K367 PolarHBondContact O-N 3.01Å; G365-K367 VanDerWaalsContact O-N 3.15Å | ||
| 366 | W | 55.8 | Low | 52.4 | Low | 64 Ų | 64 | 92.3 Ų | 92.3 | 24% | 0.242 | 50% | 0.498 | C | S | . | . | trans | -75.7 | 94.9 | 163.5 | -110.2 | 53.1 | 0 | 0 | 0 | 109 | L308 H341 F345 L379 | L308-W366 HydrophobicContact CB-CE3 4.2Å; L308-W366 HydrophobicContact CD1-CE3 3.84Å; L308-W366 HydrophobicContact CD1-CZ3 3.75Å; L308-W366 HydrophobicContact CD2-CD2 4.27Å; L308-W366 HydrophobicContact CD2-CE3 3.3Å; L308-W366 HydrophobicContact CD2-CH2 4.22Å; L308-W366 HydrophobicContact CD2-CZ3 3.27Å; L308-W366 HydrophobicContact CG-CE3 3.94Å; L308-W366 HydrophobicContact CG-CZ3 4.07Å; H341-W366 HydrophobicContact CB-CZ2 4.2Å; F345-W366 AromaticContact CD2-CD1 3.49Å; F345-W366 VanDerWaalsContact CD2-CD1 3.49Å; F345-W366 HydrophobicContact CD2-CG 4.38Å; F345-W366 AromaticContact CD2-NE1 3.88Å; F345-W366 HydrophobicContact CE2-CB 4.44Å; F345-W366 AromaticContact CE2-CD1 3.67Å; F345-W366 HydrophobicContact CE2-CG 4.33Å; W366-L379 HydrophobicContact CH2-CD2 4.24Å | ||
| 367 | K | 48.7 | Very low | 50.8 | Low | 196 Ų | 196 | 94.1 Ų | 94.1 | 85% | 0.852 | 51% | 0.511 | S | S | * | . | trans | -89.9 | 118.1 | 173.6 | -69.1 | -174 | 179.5 | 179.5 | 0 | 110.2 | G365 A369 | G365-K367 PolarHBondContact O-N 3.01Å; G365-K367 VanDerWaalsContact O-N 3.15Å; K367-A369 PolarHBondContact O-N 3.41Å | ||
| 368 | L | 44.5 | Very low | 49.2 | Very low | 39 Ų | 39 | 94.8 Ų | 94.8 | 20% | 0.204 | 53% | 0.526 | C | S | . | . | trans | -68.2 | 123.4 | 162.6 | -94.2 | 145.5 | 0 | 0 | 0 | 108.6 | D305 L308 D370 W374 | D305-L368 HydrophobicContact CB-CD1 3.86Å; D305-L368 WeakPolarHBondContact OD1-CD1 3.33Å; L308-L368 HydrophobicContact CD1-CD1 3.72Å; L308-L368 HydrophobicContact CD1-CG 4.49Å; L368-D370 PolarHBondContact O-N 2.93Å; L368-W374 HydrophobicContact CD2-CB 4.09Å; L368-W374 HydrophobicContact CD2-CD2 4.14Å; L368-W374 HydrophobicContact CD2-CG 3.65Å | ||
| 369 | A | 42.7 | Very low | 47.6 | Very low | 48 Ų | 48 | 92.8 Ų | 92.8 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | trans | -75.7 | 109.2 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | K367 S371 L372 | K367-A369 PolarHBondContact O-N 3.41Å; A369-S371 PolarHBondContact O-N 3.38Å; A369-S371 VanDerWaalsContact O-N 3.09Å; A369-L372 HydrophobicContact CB-CB 4.23Å; A369-L372 HydrophobicContact CB-CD1 3.79Å; A369-L372 HydrophobicContact CB-CG 4.24Å; A369-L372 PolarHBondContact O-N 3.41Å | ||
| 370 | D | 40.7 | Very low | 46 | Very low | 141 Ų | 141 | 91.2 Ų | 91.2 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.6 | -178.7 | -70.7 | -37.5 | 0 | 0 | 0 | 113.8 | L368 L372 | L368-D370 PolarHBondContact O-N 2.93Å; D370-L372 VanDerWaalsContact C-N 3.32Å; D370-L372 PolarHBondContact O-N 3.04Å |
| 371 | S | 41 | Very low | 44.2 | Very low | 112 Ų | 112 | 93.4 Ų | 93.4 | 78% | 0.783 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -7.4 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | A369 | A369-S371 PolarHBondContact O-N 3.38Å; A369-S371 VanDerWaalsContact O-N 3.09Å |
| 372 | L | 36.9 | Very low | 42.4 | Very low | 90 Ų | 90 | 93 Ų | 93 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -111.2 | 122.1 | -177.3 | -71.7 | 167.1 | 0 | 0 | 0 | 109.7 | A369 D370 W374 | A369-L372 HydrophobicContact CB-CB 4.23Å; A369-L372 HydrophobicContact CB-CD1 3.79Å; A369-L372 HydrophobicContact CB-CG 4.24Å; A369-L372 PolarHBondContact O-N 3.41Å; D370-L372 VanDerWaalsContact C-N 3.32Å; D370-L372 PolarHBondContact O-N 3.04Å; L372-W374 PolarHBondContact O-N 3.21Å |
| 373 | L | 40.7 | Very low | 40.8 | Very low | 100 Ų | 100 | 94.3 Ų | 94.3 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | trans | -64.3 | 84.2 | 163 | -72 | 163.5 | 0 | 0 | 0 | 106.9 | A375 E376 T377 | L373-A375 PolarHBondContact O-N 3Å; L373-A375 VanDerWaalsContact O-N 3.11Å; L373-E376 HydrophobicContact CB-CB 4.19Å; L373-E376 HydrophobicContact CB-CG 4.16Å; L373-E376 WeakPolarHBondContact CD1-OE2 3.34Å; L373-E376 WeakPolarHBondContact O-CA 3.44Å; L373-E376 WeakPolarHBondContact O-CB 3.41Å; L373-E376 PolarHBondContact O-N 2.98Å; L373-T377 PolarHBondContact O-N 2.99Å; L373-T377 PolarHBondContact O-OG1 3.3Å | ||
| 374 | W | 41.5 | Very low | 39.3 | Very low | 52 Ų | 52 | 93.8 Ų | 93.8 | 20% | 0.197 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.4 | -176.1 | 69.2 | -89.1 | 0 | 0 | 0 | 112.6 | L304 L368 L372 E376 | L304-W374 HydrophobicContact CB-CZ2 4.49Å; L304-W374 HydrophobicContact CD1-CH2 3.7Å; L304-W374 HydrophobicContact CD1-CZ2 3.8Å; L368-W374 HydrophobicContact CD2-CB 4.09Å; L368-W374 HydrophobicContact CD2-CD2 4.14Å; L368-W374 HydrophobicContact CD2-CG 3.65Å; L372-W374 PolarHBondContact O-N 3.21Å; W374-E376 PolarHBondContact O-N 3.05Å |
| 375 | A | 43.3 | Very low | 37.9 | Very low | 60 Ų | 60 | 93 Ų | 93 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L373 | L373-A375 PolarHBondContact O-N 3Å; L373-A375 VanDerWaalsContact O-N 3.11Å |
| 376 | E | 33.9 | Very low | 36.6 | Very low | 154 Ų | 154 | 95.9 Ų | 95.9 | 72% | 0.72 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -5.7 | -179.9 | -60.9 | -172.9 | 157.6 | 0 | 0 | 113.3 | L373 W374 | L373-E376 HydrophobicContact CB-CB 4.19Å; L373-E376 HydrophobicContact CB-CG 4.16Å; L373-E376 WeakPolarHBondContact CD1-OE2 3.34Å; L373-E376 WeakPolarHBondContact O-CA 3.44Å; L373-E376 WeakPolarHBondContact O-CB 3.41Å; L373-E376 PolarHBondContact O-N 2.98Å; W374-E376 PolarHBondContact O-N 3.05Å |
| 377 | T | 31.7 | Very low | 35.2 | Very low | 68 Ų | 68 | 101.5 Ų | 101.5 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -113.1 | 125 | -179.4 | -39 | 0 | 0 | 0 | 0 | 111.1 | L373 L379 | L373-T377 PolarHBondContact O-N 2.99Å; L373-T377 PolarHBondContact O-OG1 3.3Å; T377-L379 PolarHBondContact O-N 3.18Å |
| 378 | P | 32.7 | Very low | 34.3 | Very low | 98 Ų | 98 | 101 Ų | 101 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | trans | -67 | 125.8 | -175.4 | -18.6 | 30.6 | 0 | 0 | 0 | 113.3 | G380 | P378-G380 PolarHBondContact O-N 3.32Š| ||
| 379 | L | 37.2 | Very low | 33.6 | Very low | 65 Ų | 65 | 103.3 Ų | 103.3 | 34% | 0.34 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | 119.6 | 169 | -72 | 153.9 | 0 | 0 | 0 | 108.9 | V337 I338 W366 T377 | V337-L379 WeakPolarHBondContact CG1-O 3.3Å; I338-L379 HydrophobicContact CB-CD1 4.29Å; I338-L379 HydrophobicContact CD1-CD1 3.34Å; I338-L379 HydrophobicContact CG1-CB 4.32Å; I338-L379 HydrophobicContact CG1-CD1 3.33Å; I338-L379 HydrophobicContact CG1-CG 4.4Å; I338-L379 HydrophobicContact CG2-CD1 4.16Å; W366-L379 HydrophobicContact CH2-CD2 4.24Å; T377-L379 PolarHBondContact O-N 3.18Å |
| 380 | G | 33.8 | Very low | 32.8 | Very low | 43 Ų | 43 | 105.9 Ų | 105.9 | 44% | 0.443 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 119.8 | 15.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P378 I382 | P378-G380 PolarHBondContact O-N 3.32Å; G380-I382 PolarHBondContact O-N 3.37Å |
| 381 | A | 26.5 | Very low | 32.2 | Very low | 78 Ų | 78 | 105.3 Ų | 105.3 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | trans | -64.1 | 100.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I383 | A381-I383 PolarHBondContact O-N 2.82Š| ||
| 382 | I | 27.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 104.8 Ų | 104.8 | 71% | 0.708 | 62% | 0.617 | S | S | * | * | trans | -63.4 | 104.1 | 172.6 | -59.5 | 169.6 | 0 | 0 | 0 | 107.8 | G380 N384 | G380-I382 PolarHBondContact O-N 3.37Å; I382-N384 VanDerWaalsContact C-N 3.34Å; I382-N384 PolarHBondContact O-N 3.39Å; I382-N384 VanDerWaalsContact O-N 3.09Å | ||
| 383 | I | 31.4 | Very low | 31 | Very low | 133 Ų | 133 | 111.5 Ų | 111.5 | 68% | 0.682 | 64% | 0.637 | S | S | * | * | trans | -83.9 | 86.7 | 171.8 | -55.3 | -180 | 0 | 0 | 0 | 108.3 | A381 | A381-I383 PolarHBondContact O-N 2.82Š| ||
| 384 | N | 26.8 | Very low | 30.3 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | trans | 62.3 | 114.1 | 157.5 | -63.7 | -32.5 | 0 | 0 | 0 | 119.6 | I382 | I382-N384 VanDerWaalsContact C-N 3.34Å; I382-N384 PolarHBondContact O-N 3.39Å; I382-N384 VanDerWaalsContact O-N 3.09Å | ||
| 385 | S | 24.9 | Very low | 29.6 | Very low | 87 Ų | 87 | 119.1 Ų | 119.1 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | trans | -132.4 | 123.8 | 130.1 | 58.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 386 | S | 26 | Very low | 29 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | trans | 60.1 | 111.7 | 159.1 | 54.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 387 | K | 27.9 | Very low | 28.7 | Very low | 182 Ų | 182 | 121.9 Ų | 121.9 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | trans | -13.4 | 140 | 131.7 | -66.5 | 174.1 | 175.9 | 175.9 | 0 | 114.3 | ||||
| 388 | H | 28.5 | Very low | 28.5 | Very low | 186 Ų | 186 | 124.9 Ų | 124.9 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | 104.4 | 91.3 | 164 | -60.8 | -66.7 | 0 | 0 | 0 | 116.3 | ||||
| 389 | A | 29.5 | Very low | 28.5 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | -177.6 | 89.6 | 112.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 390 | S | 27 | Very low | 28.4 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | 51.4 | 96.5 | 101.4 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 391 | T | 26.6 | Very low | 28.3 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | 162.1 | 133.4 | 100.2 | 38.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 392 | S | 25.4 | Very low | 28.5 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 62.5 | 107.6 | 143 | 67.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 393 | R | 28 | Very low | 28.7 | Very low | 232 Ų | 232 | 139.5 Ų | 139.5 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | 158.9 | 98.9 | 112.4 | -88.5 | 177.7 | 176 | 179.1 | -0.6 | 108.3 | |||||
| 394 | Q | 26.8 | Very low | 28.6 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 62 | 111.6 | 100.8 | -85.8 | -169.4 | -9.2 | 0 | 0 | 115.3 | |||||
| 395 | H | 26.8 | Very low | 29 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | 116.4 | 120.2 | 127.6 | -90.6 | -52 | 0 | 0 | 0 | 120 | |||||
| 396 | K | 29.6 | Very low | 29.1 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 78.1 | 129.6 | 148.2 | -60.1 | 168.2 | -177.5 | -174.8 | 0 | 114.7 | ||||
| 397 | G | 27.7 | Very low | 29.1 | Very low | 76 Ų | 76 | 152.4 Ų | 152.4 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | cis | 172.2 | 151.5 | 9.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 398 | V | 27.6 | Very low | 29.5 | Very low | 132 Ų | 132 | 152.8 Ų | 152.8 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -61.9 | 158.7 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 399 | P | 33.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | cis | -145.6 | 169.2 | 46.2 | 37.7 | -14.4 | 0 | 0 | 0 | 120.6 | ||||
| 400 | P | 34.3 | Very low | 30.2 | Very low | 112 Ų | 112 | 155.4 Ų | 155.4 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -88.8 | 145.8 | -177.5 | 35.5 | -31.2 | 0 | 0 | 0 | 112.4 | D402 | P400-D402 PolarHBondContact O-N 2.78Š| ||
| 401 | Y | 31.7 | Very low | 30.3 | Very low | 236 Ų | 236 | 158.1 Ų | 158.1 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | -77.7 | 107.1 | 171.1 | -97.2 | -94.3 | 0 | 0 | 0 | 110.1 | ||||
| 402 | D | 32.1 | Very low | 30.5 | Very low | 144 Ų | 144 | 159.6 Ų | 159.6 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | trans | -80.6 | 136.8 | 170.4 | -160.9 | -3.1 | 0 | 0 | 0 | 110.4 | P400 | P400-D402 PolarHBondContact O-N 2.78Š| ||
| 403 | T | 30.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 162.9 Ų | 162.9 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | trans | -103.2 | 98.4 | -179.3 | 37.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 404 | K | 30.1 | Very low | 31 | Very low | 209 Ų | 209 | 158.8 Ų | 158.8 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -174.7 | 106.2 | 157.7 | -102.4 | 151.6 | -165.4 | -177.5 | 0 | 111.1 | ||||
| 405 | G | 34.2 | Very low | 31.3 | Very low | 84 Ų | 84 | 158.4 Ų | 158.4 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -152.5 | 71.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 406 | R | 27 | Very low | 31.6 | Very low | 231 Ų | 231 | 159.3 Ų | 159.3 | 87% | 0.872 | 86% | 0.855 | S | S | * | * | trans | -73.6 | 145.2 | 166.6 | -100.5 | -177 | -176 | 179.7 | 1.1 | 109.8 | ||||
| 407 | R | 26.6 | Very low | 31.7 | Very low | 214 Ų | 214 | 156.6 Ų | 156.6 | 81% | 0.808 | 86% | 0.855 | S | S | * | * | trans | 82.7 | 120.5 | 152.8 | -70.1 | 176.6 | -179.1 | -172.8 | 0 | 119.7 | ||||
| 408 | Q | 35.6 | Very low | 32 | Very low | 191 Ų | 191 | 162.8 Ų | 162.8 | 89% | 0.893 | 86% | 0.861 | S | S | * | * | -163 | 100.4 | 126.7 | -97.8 | 170.9 | -1.6 | 0 | 0 | 104.4 | |||||
| 409 | V | 27.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 165.4 Ų | 165.4 | 75% | 0.752 | 87% | 0.866 | S | S | * | * | 24.3 | 94.8 | 84 | -165.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 410 | C | 45.7 | Very low | 32.3 | Very low | 203 Ų | 203 | 169.8 Ų | 169.8 | 100% | 1.372 | 88% | 0.875 | S | S | * | * | -129.2 | 0 | 121.7 | -85.3 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 410 of 410 residues in 516.3 ms
(Link to these results)