| 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 | 51.5 | Low | 59.4 | Low | 198 Ų | 198 | 93.3 Ų | 93.3 | 98% | 0.975 | 59% | 0.589 | S | S | * | * | 0 | -38.6 | 0 | -61.1 | -160.8 | 176.8 | 0 | 0 | 110.9 | D3 T4 E5 | M1-D3 PolarHBondContact O-N 3.42Å; M1-T4 PolarHBondContact O-N 3.36Å; M1-E5 PolarHBondContact O-N 3.45Å | |||
| 2 | A | 53.4 | Low | 59.9 | Low | 67 Ų | 67 | 90.3 Ų | 90.3 | 55% | 0.554 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.2 | -34.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T4 E5 A6 | A2-T4 VanDerWaalsContact C-N 3.3Å; A2-T4 PolarHBondContact O-N 2.95Å; A2-E5 PolarHBondContact O-N 3.45Å; A2-A6 WeakPolarHBondContact O-CB 3.18Å; A2-A6 PolarHBondContact O-N 3.45Å |
| 3 | D | 52.3 | Low | 60.8 | Low | 136 Ų | 136 | 92.2 Ų | 92.2 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67 | -30.9 | 179.3 | -58.4 | -76.9 | 0 | 0 | 0 | 113.3 | M1 S7 | M1-D3 PolarHBondContact O-N 3.42Å; D3-S7 VanDerWaalsContact O-CB 3.32Å; D3-S7 WeakPolarHBondContact O-CB 3.45Å; D3-S7 PolarHBondContact O-N 2.95Å; D3-S7 VanDerWaalsContact O-N 3.11Å |
| 4 | T | 56.6 | Low | 61.9 | Low | 97 Ų | 97 | 96.5 Ų | 96.5 | 60% | 0.595 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73 | -40.3 | 176 | -46.7 | 0 | 0 | 0 | 0 | 110.6 | M1 A2 S7 V8 | M1-T4 PolarHBondContact O-N 3.36Å; A2-T4 VanDerWaalsContact C-N 3.3Å; A2-T4 PolarHBondContact O-N 2.95Å; T4-S7 PolarHBondContact O-N 3.31Å; T4-V8 WeakPolarHBondContact O-CB 3.32Å; T4-V8 WeakPolarHBondContact O-CG2 3.21Å; T4-V8 PolarHBondContact O-N 2.98Å |
| 5 | E | 56.9 | Low | 62.5 | Low | 136 Ų | 136 | 98.3 Ų | 98.3 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -40 | 177.7 | -64.3 | 176.3 | 114.2 | 0 | 0 | 111.9 | M1 A2 V8 A9 | M1-E5 PolarHBondContact O-N 3.45Å; A2-E5 PolarHBondContact O-N 3.45Å; E5-V8 PolarHBondContact O-N 3.49Å; E5-A9 WeakPolarHBondContact O-CB 3.1Å; E5-A9 PolarHBondContact O-N 3.41Å |
| 6 | A | 58.1 | Low | 63 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2 A9 A10 | A2-A6 WeakPolarHBondContact O-CB 3.18Å; A2-A6 PolarHBondContact O-N 3.45Å; A6-A9 PolarHBondContact O-N 3.1Å; A6-A10 VanDerWaalsContact O-CB 3.28Å; A6-A10 WeakPolarHBondContact O-CB 3.4Å; A6-A10 PolarHBondContact O-N 2.93Å |
| 7 | S | 59.7 | Low | 63.5 | Low | 86 Ų | 86 | 99.2 Ų | 99.2 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.6 | -41.2 | 175.6 | -177 | 0 | 0 | 0 | 0 | 112.1 | D3 T4 A10 G11 | D3-S7 VanDerWaalsContact O-CB 3.32Å; D3-S7 WeakPolarHBondContact O-CB 3.45Å; D3-S7 PolarHBondContact O-N 2.95Å; D3-S7 VanDerWaalsContact O-N 3.11Å; T4-S7 PolarHBondContact O-N 3.31Å; S7-A10 PolarHBondContact O-N 3.4Å; S7-G11 PolarHBondContact O-N 3.11Å |
| 8 | V | 62.7 | Low | 64.2 | Low | 98 Ų | 98 | 96.1 Ų | 96.1 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.2 | -42.6 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | T4 E5 G11 C12 | T4-V8 WeakPolarHBondContact O-CB 3.32Å; T4-V8 WeakPolarHBondContact O-CG2 3.21Å; T4-V8 PolarHBondContact O-N 2.98Å; E5-V8 PolarHBondContact O-N 3.49Å; V8-G11 PolarHBondContact O-N 3.24Å; V8-C12 WeakPolarHBondContact O-CB 3.28Å; V8-C12 PolarHBondContact O-N 2.83Å |
| 9 | A | 61.3 | Low | 64.5 | Low | 51 Ų | 51 | 93.2 Ų | 93.2 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E5 A6 C12 L13 | E5-A9 WeakPolarHBondContact O-CB 3.1Å; E5-A9 PolarHBondContact O-N 3.41Å; A6-A9 PolarHBondContact O-N 3.1Å; A9-C12 PolarHBondContact O-N 3.48Å; A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 PolarHBondContact O-N 3.44Å |
| 10 | A | 69.1 | Low | 64.8 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A6 S7 C12 L13 E14 | A6-A10 VanDerWaalsContact O-CB 3.28Å; A6-A10 WeakPolarHBondContact O-CB 3.4Å; A6-A10 PolarHBondContact O-N 2.93Å; S7-A10 PolarHBondContact O-N 3.4Å; A10-C12 VanDerWaalsContact C-N 3.33Å; A10-C12 PolarHBondContact O-N 3.47Å; A10-L13 PolarHBondContact O-N 3.05Å; A10-E14 PolarHBondContact O-N 3.06Å |
| 11 | G | 71.6 | Confident | 65.2 | Low | 36 Ų | 36 | 95.4 Ų | 95.4 | 37% | 0.371 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S7 V8 E14 K15 | S7-G11 PolarHBondContact O-N 3.11Å; V8-G11 PolarHBondContact O-N 3.24Å; G11-E14 PolarHBondContact O-N 2.82Å; G11-K15 WeakPolarHBondContact O-CB 3.48Å; G11-K15 WeakPolarHBondContact O-CG 3.2Å; G11-K15 PolarHBondContact O-N 3.49Å |
| 12 | C | 65.6 | Low | 66.4 | Low | 57 Ų | 57 | 89.5 Ų | 89.5 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 173.7 | -165.5 | 0 | 0 | 0 | 0 | 110.4 | V8 A9 A10 E14 K15 L16 M69 | V8-C12 WeakPolarHBondContact O-CB 3.28Å; V8-C12 PolarHBondContact O-N 2.83Å; A9-C12 PolarHBondContact O-N 3.48Å; A10-C12 VanDerWaalsContact C-N 3.33Å; A10-C12 PolarHBondContact O-N 3.47Å; C12-E14 VanDerWaalsContact C-N 3.31Å; C12-E14 PolarHBondContact O-N 3.49Å; C12-K15 WeakPolarHBondContact O-CB 3.35Å; C12-K15 PolarHBondContact O-N 3.05Å; C12-L16 WeakPolarHBondContact O-CB 3.35Å; C12-L16 PolarHBondContact O-N 3.41Å; C12-M69 WeakPolarHBondContact SG-CE 3.32Å |
| 13 | L | 71.2 | Confident | 67.1 | Low | 116 Ų | 116 | 96.5 Ų | 96.5 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.1 | -38.7 | 176.1 | -104.2 | 162.3 | 0 | 0 | 0 | 113 | A9 A10 L16 K17 | A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 PolarHBondContact O-N 3.44Å; A10-L13 PolarHBondContact O-N 3.05Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 2.79Å; L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 PolarHBondContact O-N 2.91Å |
| 14 | E | 76.9 | Confident | 67.8 | Low | 152 Ų | 152 | 94 Ų | 94 | 71% | 0.71 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.9 | -42.4 | 178 | -129.9 | -172.3 | 103.5 | 0 | 0 | 111.9 | A10 G11 C12 L16 K17 G18 | A10-E14 PolarHBondContact O-N 3.06Å; G11-E14 PolarHBondContact O-N 2.82Å; C12-E14 VanDerWaalsContact C-N 3.31Å; C12-E14 PolarHBondContact O-N 3.49Å; E14-L16 VanDerWaalsContact C-N 3.33Å; E14-K17 PolarHBondContact O-N 2.99Å; E14-G18 PolarHBondContact O-N 3.3Å |
| 15 | K | 71.3 | Confident | 68.5 | Low | 123 Ų | 123 | 89.4 Ų | 89.4 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 172.3 | -74.9 | -81 | -177 | 151.6 | 0 | 111.4 | G11 C12 G18 Y19 M69 E71 | G11-K15 WeakPolarHBondContact O-CB 3.48Å; G11-K15 WeakPolarHBondContact O-CG 3.2Å; G11-K15 PolarHBondContact O-N 3.49Å; C12-K15 WeakPolarHBondContact O-CB 3.35Å; C12-K15 PolarHBondContact O-N 3.05Å; K15-G18 PolarHBondContact O-N 2.86Å; K15-Y19 VanDerWaalsContact O-CB 3.3Å; K15-Y19 WeakPolarHBondContact O-CB 3.29Å; K15-Y19 PolarHBondContact O-N 3.12Å; K15-M69 HydrophobicContact CB-CE 3.94Å; K15-M69 HydrophobicContact CB-SD 4.14Å; K15-E71 IonicContact NZ-OE2 2.71Å |
| 16 | L | 69.6 | Low | 69.4 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.277 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.6 | -149.7 | 153.9 | 0 | 0 | 0 | 110.5 | C12 L13 E14 G18 Y19 V20 F65 M69 | C12-L16 WeakPolarHBondContact O-CB 3.35Å; C12-L16 PolarHBondContact O-N 3.41Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 2.79Å; E14-L16 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 2.91Å; L16-Y19 PolarHBondContact O-N 3.46Å; L16-V20 HydrophobicContact CD2-CG2 3.85Å; L16-V20 WeakPolarHBondContact O-CB 3.17Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.34Å; L16-F65 HydrophobicContact CD1-CE1 3.57Å; L16-F65 HydrophobicContact CD1-CZ 3.8Å; L16-F65 HydrophobicContact CD2-CE1 4.34Å; L16-F65 HydrophobicContact CD2-CZ 3.69Å; L16-F65 HydrophobicContact CG-CE1 3.72Å; L16-F65 HydrophobicContact CG-CZ 3.43Å; L16-F65 VanDerWaalsContact CG-CZ 3.43Å; L16-M69 HydrophobicContact CB-CE 4.31Å; L16-M69 HydrophobicContact CB-SD 4.15Å; L16-M69 HydrophobicContact CG-SD 4.34Å |
| 17 | K | 72.5 | Confident | 70.3 | Confident | 160 Ų | 160 | 84.6 Ų | 84.6 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.4 | -39.4 | 176.1 | -169.9 | 179.2 | -176.5 | -174.2 | 0 | 112.2 | L13 E14 K21 | L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 PolarHBondContact O-N 2.91Å; E14-K17 PolarHBondContact O-N 2.99Å; K17-K21 WeakPolarHBondContact O-CB 3.3Å; K17-K21 PolarHBondContact O-N 3.27Å |
| 18 | G | 76.2 | Confident | 70.9 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 43% | 0.433 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E14 K15 L16 K21 T22 | E14-G18 PolarHBondContact O-N 3.3Å; K15-G18 PolarHBondContact O-N 2.86Å; L16-G18 PolarHBondContact O-N 2.91Å; G18-K21 WeakPolarHBondContact O-CB 3.45Å; G18-K21 PolarHBondContact O-N 3.45Å; G18-T22 PolarHBondContact O-OG1 3.32Å |
| 19 | Y | 68.2 | Low | 71.6 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.8 | -44.5 | -179.9 | -169.1 | -104.7 | 0 | 0 | 0 | 112.2 | K15 L16 K21 T22 G25 F65 F68 | K15-Y19 VanDerWaalsContact O-CB 3.3Å; K15-Y19 WeakPolarHBondContact O-CB 3.29Å; K15-Y19 PolarHBondContact O-N 3.12Å; L16-Y19 PolarHBondContact O-N 3.46Å; Y19-K21 PolarHBondContact O-N 3.01Å; Y19-T22 WeakPolarHBondContact O-CA 3.21Å; Y19-T22 WeakPolarHBondContact O-CB 3.25Å; Y19-T22 PolarHBondContact O-N 2.96Å; Y19-G25 WeakPolarHBondContact O-CA 3.38Å; Y19-F65 HydrophobicContact CD1-CE2 4.32Å; Y19-F68 HydrophobicContact CE1-CB 4.33Å; Y19-F68 HydrophobicContact CE2-CB 4.42Å; Y19-F68 WeakPolarHBondContact OH-CB 2.95Å; Y19-F68 WeakPolarHBondContact OH-CD1 3.37Å; Y19-F68 WeakPolarHBondContact OH-CG 3.28Å |
| 20 | V | 70.9 | Confident | 72.5 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.8 | -29.3 | 174.2 | 168 | 0 | 0 | 0 | 0 | 111.8 | L16 T22 T26 A29 | L16-V20 HydrophobicContact CD2-CG2 3.85Å; L16-V20 WeakPolarHBondContact O-CB 3.17Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.34Å; V20-T22 PolarHBondContact O-N 3.43Å; V20-T26 WeakPolarHBondContact O-CA 3.45Å; V20-T26 WeakPolarHBondContact O-CB 3.42Å; V20-T26 PolarHBondContact O-N 2.79Å; V20-T26 PolarHBondContact O-OG1 3.28Å; V20-A29 HydrophobicContact CG2-CB 4.01Å |
| 21 | K | 74.2 | Confident | 72.9 | Confident | 186 Ų | 186 | 73.6 Ų | 73.6 | 81% | 0.809 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.8 | 174.9 | -164.6 | 171.3 | -177.6 | 177.6 | 0 | 113 | K17 G18 Y19 | K17-K21 WeakPolarHBondContact O-CB 3.3Å; K17-K21 PolarHBondContact O-N 3.27Å; G18-K21 WeakPolarHBondContact O-CB 3.45Å; G18-K21 PolarHBondContact O-N 3.45Å; Y19-K21 PolarHBondContact O-N 3.01Å |
| 22 | T | 76.3 | Confident | 73.2 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79.4 | 141.9 | 175 | -55 | 0 | 0 | 0 | 0 | 109.7 | G18 Y19 V20 K24 G25 T26 | G18-T22 PolarHBondContact O-OG1 3.32Å; Y19-T22 WeakPolarHBondContact O-CA 3.21Å; Y19-T22 WeakPolarHBondContact O-CB 3.25Å; Y19-T22 PolarHBondContact O-N 2.96Å; V20-T22 PolarHBondContact O-N 3.43Å; T22-K24 PolarHBondContact O-N 2.86Å; T22-G25 PolarHBondContact O-N 3.25Å; T22-T26 PolarHBondContact O-N 3.43Å; T22-T26 PolarHBondContact O-OG1 2.8Å |
| 23 | R | 67.2 | Low | 73.9 | Confident | 215 Ų | 215 | 76.2 Ų | 76.2 | 81% | 0.811 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -51.2 | -38.1 | -176.3 | -145.8 | 177.9 | -152.2 | -171.1 | 5 | 113.6 | I27 | R23-I27 WeakPolarHBondContact O-CD1 3.44Å; R23-I27 WeakPolarHBondContact O-CG1 3.2Å |
| 24 | K | 67.3 | Low | 74.3 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 37% | 0.365 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.8 | -44.5 | 175.6 | -66.1 | -163.9 | 173.2 | -166.7 | 0 | 112.7 | T22 T26 I27 L28 | T22-K24 PolarHBondContact O-N 2.86Å; K24-T26 VanDerWaalsContact C-N 3.33Å; K24-T26 PolarHBondContact O-N 3.2Å; K24-I27 PolarHBondContact O-N 3.35Å; K24-L28 PolarHBondContact O-N 2.86Å; K24-L28 VanDerWaalsContact O-N 3.11Å |
| 25 | G | 71.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -30.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y19 T22 A29 | Y19-G25 WeakPolarHBondContact O-CA 3.38Å; T22-G25 PolarHBondContact O-N 3.25Å; G25-A29 WeakPolarHBondContact O-CB 3.21Å; G25-A29 PolarHBondContact O-N 3.05Å |
| 26 | T | 76.4 | Confident | 74.5 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 173.7 | -38.2 | 0 | 0 | 0 | 0 | 111.7 | V20 T22 K24 A29 A30 | V20-T26 WeakPolarHBondContact O-CA 3.45Å; V20-T26 WeakPolarHBondContact O-CB 3.42Å; V20-T26 PolarHBondContact O-N 2.79Å; V20-T26 PolarHBondContact O-OG1 3.28Å; T22-T26 PolarHBondContact O-N 3.43Å; T22-T26 PolarHBondContact O-OG1 2.8Å; K24-T26 VanDerWaalsContact C-N 3.33Å; K24-T26 PolarHBondContact O-N 3.2Å; T26-A29 PolarHBondContact O-N 3.27Å; T26-A30 WeakPolarHBondContact O-CB 3.48Å; T26-A30 PolarHBondContact O-N 3.34Å |
| 27 | I | 77.6 | Confident | 75 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.138 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.3 | -46.8 | -179.8 | -60.2 | 165.8 | 0 | 0 | 0 | 109.9 | R23 K24 A29 A30 E31 D130 T133 | R23-I27 WeakPolarHBondContact O-CD1 3.44Å; R23-I27 WeakPolarHBondContact O-CG1 3.2Å; K24-I27 PolarHBondContact O-N 3.35Å; I27-A29 VanDerWaalsContact C-N 3.3Å; I27-A29 PolarHBondContact O-N 2.99Å; I27-A30 WeakPolarHBondContact O-CB 3.45Å; I27-A30 PolarHBondContact O-N 2.81Å; I27-A30 VanDerWaalsContact O-N 3.13Å; I27-E31 PolarHBondContact O-N 3.48Å; I27-D130 HydrophobicContact CG2-CB 3.63Å; I27-D130 WeakPolarHBondContact CG2-OD2 3.14Å; I27-T133 HydrophobicContact CD1-CG2 4.11Å |
| 28 | L | 72.6 | Confident | 75.1 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 178.9 | -148.9 | 123.5 | 0 | 0 | 0 | 112.3 | K24 E31 I32 F65 F68 | K24-L28 PolarHBondContact O-N 2.86Å; K24-L28 VanDerWaalsContact O-N 3.11Å; L28-E31 WeakPolarHBondContact O-CB 3.44Å; L28-E31 PolarHBondContact O-N 3.34Å; L28-I32 HydrophobicContact CD2-CD1 4.19Å; L28-I32 WeakPolarHBondContact O-CG1 3.32Å; L28-I32 PolarHBondContact O-N 2.79Å; L28-I32 VanDerWaalsContact O-N 3.12Å; L28-F65 HydrophobicContact CD2-CB 4.09Å; L28-F65 HydrophobicContact CD2-CD2 3.62Å; L28-F65 HydrophobicContact CD2-CG 4.38Å; L28-F68 HydrophobicContact CD1-CD2 4.49Å; L28-F68 HydrophobicContact CD1-CE2 4.49Å |
| 29 | A | 77.2 | Confident | 75 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V20 G25 T26 I27 E31 I32 L33 | V20-A29 HydrophobicContact CG2-CB 4.01Å; G25-A29 WeakPolarHBondContact O-CB 3.21Å; G25-A29 PolarHBondContact O-N 3.05Å; T26-A29 PolarHBondContact O-N 3.27Å; I27-A29 VanDerWaalsContact C-N 3.3Å; I27-A29 PolarHBondContact O-N 2.99Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-I32 PolarHBondContact O-N 2.94Å; A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.38Å |
| 30 | A | 80.6 | Confident | 75.5 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | T26 I27 L33 I34 L126 | T26-A30 WeakPolarHBondContact O-CB 3.48Å; T26-A30 PolarHBondContact O-N 3.34Å; I27-A30 WeakPolarHBondContact O-CB 3.45Å; I27-A30 PolarHBondContact O-N 2.81Å; I27-A30 VanDerWaalsContact O-N 3.13Å; A30-L33 PolarHBondContact O-N 2.94Å; A30-I34 WeakPolarHBondContact O-CB 3.41Å; A30-I34 PolarHBondContact O-N 3.3Å; A30-L126 HydrophobicContact CB-CD2 4.02Å |
| 31 | E | 76.1 | Confident | 75.6 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.1 | -172.6 | 179.2 | 107.8 | 0 | 0 | 112.2 | I27 L28 A29 L33 I34 S35 R88 L126 F127 | I27-E31 PolarHBondContact O-N 3.48Å; L28-E31 WeakPolarHBondContact O-CB 3.44Å; L28-E31 PolarHBondContact O-N 3.34Å; A29-E31 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.44Å; E31-I34 PolarHBondContact O-N 3.42Å; E31-S35 WeakPolarHBondContact O-CB 3.47Å; E31-S35 PolarHBondContact O-N 2.88Å; E31-S35 PolarHBondContact O-OG 3.48Å; E31-R88 IonicContact OE1-CZ 3.72Å; E31-R88 IonicContact OE1-NE 3.95Å; E31-R88 IonicContact OE1-NH2 3.49Å; E31-R88 PolarHBondContact OE1-NH2 3.29Å; E31-L126 HydrophobicContact CB-CD2 4.46Å; E31-F127 HydrophobicContact CG-CD1 3.92Å; E31-F127 HydrophobicContact CG-CD2 4.25Å; E31-F127 HydrophobicContact CG-CE1 3.37Å; E31-F127 HydrophobicContact CG-CE2 3.64Å; E31-F127 HydrophobicContact CG-CG 4.37Å; E31-F127 HydrophobicContact CG-CZ 3.18Å; E31-F127 WeakPolarHBondContact OE1-CE1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CD1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CE1 3.33Å |
| 32 | I | 78.2 | Confident | 75.3 | Confident | 35 Ų | 35 | 50 Ų | 50 | 18% | 0.179 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.3 | -68.1 | 164.7 | 0 | 0 | 0 | 110.9 | L28 A29 S35 F36 A61 F65 | L28-I32 HydrophobicContact CD2-CD1 4.19Å; L28-I32 WeakPolarHBondContact O-CG1 3.32Å; L28-I32 PolarHBondContact O-N 2.79Å; L28-I32 VanDerWaalsContact O-N 3.12Å; A29-I32 PolarHBondContact O-N 2.94Å; I32-S35 PolarHBondContact O-N 3.26Å; I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 PolarHBondContact O-N 3.49Å; I32-A61 HydrophobicContact CG1-CB 3.84Å; I32-F65 HydrophobicContact CD1-CB 4.22Å; I32-F65 HydrophobicContact CD1-CD2 3.95Å; I32-F65 HydrophobicContact CD1-CG 4.2Å |
| 33 | L | 80.3 | Confident | 75 | Confident | 113 Ų | 113 | 50.1 Ų | 50.1 | 59% | 0.592 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 179.3 | -77.8 | 174 | 0 | 0 | 0 | 112.1 | A29 A30 E31 F36 I37 | A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.38Å; A30-L33 PolarHBondContact O-N 2.94Å; E31-L33 PolarHBondContact O-N 3.44Å; L33-F36 PolarHBondContact O-N 3.42Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.43Å; L33-I37 PolarHBondContact O-N 2.8Å |
| 34 | I | 79.3 | Confident | 75.1 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177.6 | -108.2 | 166.8 | 0 | 0 | 0 | 110.9 | A30 E31 F36 I37 I38 A123 L126 | A30-I34 WeakPolarHBondContact O-CB 3.41Å; A30-I34 PolarHBondContact O-N 3.3Å; E31-I34 PolarHBondContact O-N 3.42Å; I34-F36 VanDerWaalsContact C-N 3.29Å; I34-F36 PolarHBondContact O-N 3.27Å; I34-I37 PolarHBondContact O-N 3.49Å; I34-I38 HydrophobicContact CG2-CD1 4.05Å; I34-I38 WeakPolarHBondContact O-CG1 3.19Å; I34-I38 PolarHBondContact O-N 3.26Å; I34-A123 HydrophobicContact CG2-CB 3.35Å; I34-L126 HydrophobicContact CD1-CD1 4.44Å; I34-L126 HydrophobicContact CD1-CD2 4.08Å |
| 35 | S | 75.4 | Confident | 75 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | E31 I32 I38 L39 Y96 | E31-S35 WeakPolarHBondContact O-CB 3.47Å; E31-S35 PolarHBondContact O-N 2.88Å; E31-S35 PolarHBondContact O-OG 3.48Å; I32-S35 PolarHBondContact O-N 3.26Å; S35-I38 PolarHBondContact O-N 2.93Å; S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.46Å; S35-Y96 WeakPolarHBondContact CA-OH 3.38Å; S35-Y96 VanDerWaalsContact CB-OH 3.27Å; S35-Y96 WeakPolarHBondContact CB-OH 3.41Å; S35-Y96 PolarHBondContact OG-OH 3.39Å |
| 36 | F | 77.8 | Confident | 74.3 | Confident | 100 Ų | 100 | 49 Ų | 49 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.7 | -173.1 | -109.1 | 0 | 0 | 0 | 112.6 | I32 L33 I34 I38 L39 I40 M58 | I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 PolarHBondContact O-N 3.49Å; L33-F36 PolarHBondContact O-N 3.42Å; I34-F36 VanDerWaalsContact C-N 3.29Å; I34-F36 PolarHBondContact O-N 3.27Å; F36-I38 VanDerWaalsContact C-N 3.3Å; F36-I38 PolarHBondContact O-N 2.92Å; F36-L39 WeakPolarHBondContact O-CB 3.44Å; F36-L39 PolarHBondContact O-N 3.19Å; F36-I40 HydrophobicContact CD1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CD1 3.41Å; F36-I40 VanDerWaalsContact CE1-CD1 3.41Å; F36-I40 HydrophobicContact CE1-CG1 4.39Å; F36-I40 HydrophobicContact CG-CD1 4.49Å; F36-I40 HydrophobicContact CZ-CD1 3.88Å; F36-I40 HydrophobicContact CZ-CG1 4.49Å; F36-I40 WeakPolarHBondContact O-CG1 3.49Å; F36-I40 PolarHBondContact O-N 2.87Å; F36-M58 HydrophobicContact CB-SD 4.41Å; F36-M58 HydrophobicContact CD2-CE 3.94Å; F36-M58 HydrophobicContact CD2-SD 4.34Å |
| 37 | I | 80.2 | Confident | 73.5 | Confident | 72 Ų | 72 | 52.2 Ų | 52.2 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.7 | -68 | 164.7 | 0 | 0 | 0 | 110.8 | L33 I34 I40 C41 F119 | L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.43Å; L33-I37 PolarHBondContact O-N 2.8Å; I34-I37 PolarHBondContact O-N 3.49Å; I37-I40 PolarHBondContact O-N 3.38Å; I37-C41 PolarHBondContact O-N 3.33Å; I37-F119 HydrophobicContact CG2-CD1 4.28Å; I37-F119 HydrophobicContact CG2-CD2 4.45Å; I37-F119 HydrophobicContact CG2-CE1 4.42Å; I37-F119 HydrophobicContact CG2-CG 4.31Å |
| 38 | I | 75.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 178 | -65.8 | 162.9 | 0 | 0 | 0 | 111.1 | I34 S35 F36 I40 C41 Y42 Y96 F119 A123 | I34-I38 HydrophobicContact CG2-CD1 4.05Å; I34-I38 WeakPolarHBondContact O-CG1 3.19Å; I34-I38 PolarHBondContact O-N 3.26Å; S35-I38 PolarHBondContact O-N 2.93Å; F36-I38 VanDerWaalsContact C-N 3.3Å; F36-I38 PolarHBondContact O-N 2.92Å; I38-I40 VanDerWaalsContact C-N 3.33Å; I38-I40 PolarHBondContact O-N 3.45Å; I38-C41 WeakPolarHBondContact O-CB 3.33Å; I38-C41 PolarHBondContact O-N 2.87Å; I38-Y42 HydrophobicContact CG2-CD2 3.51Å; I38-Y42 HydrophobicContact CG2-CE2 3.27Å; I38-Y42 WeakPolarHBondContact O-CD2 3.46Å; I38-Y42 PolarHBondContact O-N 3.29Å; I38-Y96 HydrophobicContact CB-CE1 4.08Å; I38-Y96 HydrophobicContact CD1-CD1 3.8Å; I38-Y96 HydrophobicContact CD1-CE1 3.55Å; I38-Y96 HydrophobicContact CD1-CG 4.49Å; I38-Y96 HydrophobicContact CG1-CE1 4.4Å; I38-Y96 HydrophobicContact CG2-CD1 4.24Å; I38-Y96 HydrophobicContact CG2-CE1 3.61Å; I38-F119 HydrophobicContact CD1-CB 4.49Å; I38-F119 HydrophobicContact CG1-CB 3.81Å; I38-A123 HydrophobicContact CD1-CB 3.55Å |
| 39 | L | 73.8 | Confident | 71.7 | Confident | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.8 | -164.2 | 163 | 0 | 0 | 0 | 110.8 | S35 F36 C41 Y42 A43 A54 I55 M58 | S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.46Å; F36-L39 WeakPolarHBondContact O-CB 3.44Å; F36-L39 PolarHBondContact O-N 3.19Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 3.27Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 PolarHBondContact O-N 2.92Å; L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 2.97Å; L39-A54 HydrophobicContact CB-CB 4.19Å; L39-A54 HydrophobicContact CD1-CB 4.46Å; L39-A54 HydrophobicContact CG-CB 4.18Å; L39-I55 HydrophobicContact CD1-CG1 4.23Å; L39-M58 HydrophobicContact CD1-CG 3.92Å |
| 40 | I | 77.7 | Confident | 71 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 46% | 0.456 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.8 | -66.4 | 167 | 0 | 0 | 0 | 111.1 | F36 I37 I38 Y42 A43 A44 | F36-I40 HydrophobicContact CD1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CD1 3.41Å; F36-I40 VanDerWaalsContact CE1-CD1 3.41Å; F36-I40 HydrophobicContact CE1-CG1 4.39Å; F36-I40 HydrophobicContact CG-CD1 4.49Å; F36-I40 HydrophobicContact CZ-CD1 3.88Å; F36-I40 HydrophobicContact CZ-CG1 4.49Å; F36-I40 WeakPolarHBondContact O-CG1 3.49Å; F36-I40 PolarHBondContact O-N 2.87Å; I37-I40 PolarHBondContact O-N 3.38Å; I38-I40 VanDerWaalsContact C-N 3.33Å; I38-I40 PolarHBondContact O-N 3.45Å; I40-Y42 VanDerWaalsContact C-N 3.33Å; I40-Y42 PolarHBondContact O-N 3.33Å; I40-A43 PolarHBondContact O-N 3.47Å; I40-A44 WeakPolarHBondContact O-CB 3.31Å; I40-A44 PolarHBondContact O-N 3.5Å |
| 41 | C | 73.1 | Confident | 70.3 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 17% | 0.169 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.7 | -80.9 | 0 | 0 | 0 | 0 | 112.1 | I37 I38 L39 S45 | I37-C41 PolarHBondContact O-N 3.33Å; I38-C41 WeakPolarHBondContact O-CB 3.33Å; I38-C41 PolarHBondContact O-N 2.87Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 3.27Å; C41-S45 PolarHBondContact O-N 2.93Å; C41-S45 VanDerWaalsContact O-N 3.15Å |
| 42 | Y | 69 | Low | 70 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 4% | 0.043 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71 | -33.8 | 176.3 | -78.5 | -50.5 | 0 | 0 | 0 | 113.2 | I38 L39 I40 S45 A54 T99 C103 | I38-Y42 HydrophobicContact CG2-CD2 3.51Å; I38-Y42 HydrophobicContact CG2-CE2 3.27Å; I38-Y42 WeakPolarHBondContact O-CD2 3.46Å; I38-Y42 PolarHBondContact O-N 3.29Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 PolarHBondContact O-N 2.92Å; I40-Y42 VanDerWaalsContact C-N 3.33Å; I40-Y42 PolarHBondContact O-N 3.33Å; Y42-S45 PolarHBondContact O-N 3.23Å; Y42-A54 HydrophobicContact CD2-CB 4.44Å; Y42-T99 HydrophobicContact CE1-CG2 4.32Å; Y42-T99 HydrophobicContact CE2-CG2 4.12Å; Y42-T99 WeakPolarHBondContact OH-CG2 3.31Å; Y42-C103 VanDerWaalsContact CE1-SG 3.53Å; Y42-C103 PolarHBondContact OH-SG 3.29Å |
| 43 | A | 69.1 | Low | 69.5 | Low | 77 Ų | 77 | 61.4 Ų | 61.4 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.7 | -34.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L39 I40 S45 | L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 2.97Å; I40-A43 PolarHBondContact O-N 3.47Å; A43-S45 VanDerWaalsContact C-N 3.28Å |
| 44 | A | 69.6 | Low | 69 | Low | 78 Ų | 78 | 56 Ų | 56 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.4 | -21.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I40 | I40-A44 WeakPolarHBondContact O-CB 3.31Å; I40-A44 PolarHBondContact O-N 3.5Å |
| 45 | S | 65.3 | Low | 68.8 | Low | 13 Ų | 13 | 58.7 Ų | 58.7 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -90.6 | 132.7 | 175.8 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | C41 Y42 A43 Y47 R113 | C41-S45 PolarHBondContact O-N 2.93Å; C41-S45 VanDerWaalsContact O-N 3.15Å; Y42-S45 PolarHBondContact O-N 3.23Å; A43-S45 VanDerWaalsContact C-N 3.28Å; S45-Y47 PolarHBondContact O-N 3.29Å; S45-R113 WeakPolarHBondContact OG-CG 3.18Å |
| 46 | L | 55.7 | Low | 68.6 | Low | 185 Ų | 185 | 62.1 Ų | 62.1 | 97% | 0.969 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -64.2 | -3.5 | 179.1 | -80.5 | 155.6 | 0 | 0 | 0 | 114.5 | G48 | L46-G48 PolarHBondContact O-N 2.92Š|
| 47 | Y | 59.2 | Low | 68.3 | Low | 137 Ų | 137 | 58.2 Ų | 58.2 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | trans | -88 | 74.3 | 178.1 | -110.9 | -93.3 | 0 | 0 | 0 | 111.6 | S45 G49 | S45-Y47 PolarHBondContact O-N 3.29Å; Y47-G49 PolarHBondContact O-N 3.42Å | ||
| 48 | G | 53.8 | Low | 67.8 | Low | 51 Ų | 51 | 56.4 Ų | 56.4 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 5.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | L46 S51 | L46-G48 PolarHBondContact O-N 2.92Å; G48-S51 PolarHBondContact O-OG 3.31Å |
| 49 | G | 59.1 | Low | 67.9 | Low | 59 Ų | 59 | 60 Ų | 60 | 61% | 0.608 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -27.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y47 | Y47-G49 PolarHBondContact O-N 3.42Š|
| 50 | Y | 63.1 | Low | 67.7 | Low | 75 Ų | 75 | 63.6 Ų | 63.6 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -102.3 | -5.9 | -175.4 | -62.3 | -73.1 | 0 | 0 | 0 | 113.9 | A52 V53 T99 I102 | Y50-A52 PolarHBondContact O-N 3.11Å; Y50-V53 PolarHBondContact O-N 3.48Å; Y50-T99 HydrophobicContact CD1-CG2 3.57Å; Y50-T99 HydrophobicContact CD2-CG2 4.47Å; Y50-T99 HydrophobicContact CE1-CG2 4.37Å; Y50-T99 HydrophobicContact CG-CG2 3.63Å; Y50-I102 HydrophobicContact CE1-CD1 3.93Å; Y50-I102 HydrophobicContact CE2-CG2 4.13Å; Y50-I102 WeakPolarHBondContact OH-CG2 3.41Å |
| 51 | S | 65.4 | Low | 67.3 | Low | 35 Ų | 35 | 59.5 Ų | 59.5 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64 | -31 | 175.6 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | G48 V53 A54 I55 | G48-S51 PolarHBondContact O-OG 3.31Å; S51-V53 VanDerWaalsContact C-N 3.29Å; S51-V53 PolarHBondContact O-N 2.89Å; S51-A54 PolarHBondContact O-N 3.34Å; S51-I55 WeakPolarHBondContact O-CB 3.49Å; S51-I55 WeakPolarHBondContact O-CD1 3.39Å; S51-I55 WeakPolarHBondContact O-CG1 3.45Å; S51-I55 PolarHBondContact O-N 3.28Å |
| 52 | A | 69.3 | Low | 67.2 | Low | 57 Ų | 57 | 62.3 Ų | 62.3 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y50 I55 C56 | Y50-A52 PolarHBondContact O-N 3.11Å; A52-I55 PolarHBondContact O-N 3.45Å; A52-C56 WeakPolarHBondContact O-CB 3.36Å; A52-C56 PolarHBondContact O-N 3.35Å; A52-C56 PolarHBondContact O-SG 3.49Å; A52-C56 VanDerWaalsContact O-SG 3.33Å |
| 53 | V | 68.9 | Low | 67.5 | Low | 39 Ų | 39 | 66 Ų | 66 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | Y50 S51 I55 C56 E57 L95 | Y50-V53 PolarHBondContact O-N 3.48Å; S51-V53 VanDerWaalsContact C-N 3.29Å; S51-V53 PolarHBondContact O-N 2.89Å; V53-I55 VanDerWaalsContact C-N 3.31Å; V53-I55 PolarHBondContact O-N 2.97Å; V53-C56 PolarHBondContact O-N 3.45Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.35Å; V53-L95 HydrophobicContact CG1-CB 3.91Å; V53-L95 HydrophobicContact CG1-CD1 4.13Å; V53-L95 HydrophobicContact CG1-CG 4.43Å |
| 54 | A | 69.1 | Low | 67.4 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L39 Y42 S51 M58 | L39-A54 HydrophobicContact CB-CB 4.19Å; L39-A54 HydrophobicContact CD1-CB 4.46Å; L39-A54 HydrophobicContact CG-CB 4.18Å; Y42-A54 HydrophobicContact CD2-CB 4.44Å; S51-A54 PolarHBondContact O-N 3.34Å; A54-M58 WeakPolarHBondContact O-CB 3.06Å; A54-M58 WeakPolarHBondContact O-CG 3.49Å; A54-M58 PolarHBondContact O-N 2.99Å |
| 55 | I | 74.3 | Confident | 67.4 | Low | 88 Ų | 88 | 61.1 Ų | 61.1 | 45% | 0.451 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.8 | -48.2 | 176.1 | -67.4 | 161.9 | 0 | 0 | 0 | 110.4 | L39 S51 A52 V53 E57 M58 V59 | L39-I55 HydrophobicContact CD1-CG1 4.23Å; S51-I55 WeakPolarHBondContact O-CB 3.49Å; S51-I55 WeakPolarHBondContact O-CD1 3.39Å; S51-I55 WeakPolarHBondContact O-CG1 3.45Å; S51-I55 PolarHBondContact O-N 3.28Å; A52-I55 PolarHBondContact O-N 3.45Å; V53-I55 VanDerWaalsContact C-N 3.31Å; V53-I55 PolarHBondContact O-N 2.97Å; I55-E57 VanDerWaalsContact C-N 3.3Å; I55-E57 PolarHBondContact O-N 3.12Å; I55-M58 PolarHBondContact O-N 2.94Å; I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.34Å; I55-V59 PolarHBondContact O-N 2.78Å |
| 56 | C | 72.3 | Confident | 67.5 | Low | 71 Ų | 71 | 64 Ų | 64 | 48% | 0.48 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.2 | -75.3 | 0 | 0 | 0 | 0 | 111.2 | A52 V53 M58 V59 F60 | A52-C56 WeakPolarHBondContact O-CB 3.36Å; A52-C56 PolarHBondContact O-N 3.35Å; A52-C56 PolarHBondContact O-SG 3.49Å; A52-C56 VanDerWaalsContact O-SG 3.33Å; V53-C56 PolarHBondContact O-N 3.45Å; C56-M58 PolarHBondContact O-N 3.37Å; C56-V59 PolarHBondContact O-N 2.71Å; C56-F60 WeakPolarHBondContact O-CD2 3.24Å; C56-F60 PolarHBondContact O-N 3.2Å |
| 57 | E | 70.8 | Confident | 68.1 | Low | 18 Ų | 18 | 56.5 Ų | 56.5 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 179.5 | -154.8 | 123.3 | 127.7 | 0 | 0 | 112.2 | V53 I55 V59 F60 A61 G92 Y96 F127 | V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.35Å; I55-E57 VanDerWaalsContact C-N 3.3Å; I55-E57 PolarHBondContact O-N 3.12Å; E57-V59 PolarHBondContact O-N 3.17Å; E57-F60 PolarHBondContact O-N 3.38Å; E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.3Å; E57-G92 VanDerWaalsContact CD-CA 3.41Å; E57-G92 WeakPolarHBondContact OE1-CA 3.14Å; E57-G92 WeakPolarHBondContact OE2-CA 3.37Å; E57-Y96 HydrophobicContact CG-CE2 4.01Å; E57-Y96 WeakPolarHBondContact OE1-CD2 3.5Å; E57-Y96 WeakPolarHBondContact OE1-CE2 3.36Å; E57-F127 HydrophobicContact CG-CZ 4.39Å |
| 58 | M | 70.4 | Confident | 68.2 | Low | 35 Ų | 35 | 51.3 Ų | 51.3 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 172.8 | -92 | -87.6 | -70.1 | 0 | 0 | 112.1 | F36 L39 A54 I55 C56 A61 I62 | F36-M58 HydrophobicContact CB-SD 4.41Å; F36-M58 HydrophobicContact CD2-CE 3.94Å; F36-M58 HydrophobicContact CD2-SD 4.34Å; L39-M58 HydrophobicContact CD1-CG 3.92Å; A54-M58 WeakPolarHBondContact O-CB 3.06Å; A54-M58 WeakPolarHBondContact O-CG 3.49Å; A54-M58 PolarHBondContact O-N 2.99Å; I55-M58 PolarHBondContact O-N 2.94Å; C56-M58 PolarHBondContact O-N 3.37Å; M58-A61 PolarHBondContact O-N 2.85Å; M58-I62 HydrophobicContact CE-CD1 4.33Å; M58-I62 WeakPolarHBondContact O-CB 3.48Å; M58-I62 WeakPolarHBondContact O-CD1 3.41Å; M58-I62 WeakPolarHBondContact O-CG1 3.46Å; M58-I62 PolarHBondContact O-N 3.16Å |
| 59 | V | 77.8 | Confident | 68.6 | Low | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | I55 C56 E57 I62 I63 | I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.34Å; I55-V59 PolarHBondContact O-N 2.78Å; C56-V59 PolarHBondContact O-N 2.71Å; E57-V59 PolarHBondContact O-N 3.17Å; V59-I62 PolarHBondContact O-N 3.35Å; V59-I63 HydrophobicContact CG1-CD1 3.79Å; V59-I63 HydrophobicContact CG1-CG1 4.45Å; V59-I63 VanDerWaalsContact O-CG1 3.25Å; V59-I63 WeakPolarHBondContact O-CG1 3.18Å; V59-I63 PolarHBondContact O-N 2.95Å |
| 60 | F | 69.6 | Low | 68.6 | Low | 118 Ų | 118 | 54.2 Ų | 54.2 | 52% | 0.518 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.4 | -84.2 | -66.9 | 0 | 0 | 0 | 112.4 | C56 E57 I62 I63 F64 | C56-F60 WeakPolarHBondContact O-CD2 3.24Å; C56-F60 PolarHBondContact O-N 3.2Å; E57-F60 PolarHBondContact O-N 3.38Å; F60-I62 PolarHBondContact O-N 3.27Å; F60-I63 PolarHBondContact O-N 2.92Å; F60-F64 WeakPolarHBondContact O-CD2 3.48Å; F60-F64 PolarHBondContact O-N 3.3Å |
| 61 | A | 68.3 | Low | 68.4 | Low | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I32 E57 M58 F64 F65 | I32-A61 HydrophobicContact CG1-CB 3.84Å; E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.3Å; M58-A61 PolarHBondContact O-N 2.85Å; A61-F64 PolarHBondContact O-N 3.36Å; A61-F65 WeakPolarHBondContact O-CB 3.5Å; A61-F65 PolarHBondContact O-N 3.37Å |
| 62 | I | 72.4 | Confident | 67.7 | Low | 84 Ų | 84 | 58.5 Ų | 58.5 | 43% | 0.431 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.9 | -69.4 | 165 | 0 | 0 | 0 | 111.1 | M58 V59 F60 F64 F65 V66 | M58-I62 HydrophobicContact CE-CD1 4.33Å; M58-I62 WeakPolarHBondContact O-CB 3.48Å; M58-I62 WeakPolarHBondContact O-CD1 3.41Å; M58-I62 WeakPolarHBondContact O-CG1 3.46Å; M58-I62 PolarHBondContact O-N 3.16Å; V59-I62 PolarHBondContact O-N 3.35Å; F60-I62 PolarHBondContact O-N 3.27Å; I62-F64 PolarHBondContact O-N 3.48Å; I62-F65 WeakPolarHBondContact O-CB 3.23Å; I62-F65 PolarHBondContact O-N 3.17Å; I62-V66 HydrophobicContact CG2-CG2 4.46Å; I62-V66 VanDerWaalsContact O-CG2 3.32Å; I62-V66 WeakPolarHBondContact O-CG2 2.96Å; I62-V66 PolarHBondContact O-N 2.94Å |
| 63 | I | 74.4 | Confident | 66.9 | Low | 88 Ų | 88 | 59.6 Ų | 59.6 | 45% | 0.451 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 178.7 | -70.4 | 168.2 | 0 | 0 | 0 | 110.1 | V59 F60 F65 V66 V67 | V59-I63 HydrophobicContact CG1-CD1 3.79Å; V59-I63 HydrophobicContact CG1-CG1 4.45Å; V59-I63 VanDerWaalsContact O-CG1 3.25Å; V59-I63 WeakPolarHBondContact O-CG1 3.18Å; V59-I63 PolarHBondContact O-N 2.95Å; F60-I63 PolarHBondContact O-N 2.92Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 3.12Å; I63-V66 PolarHBondContact O-N 3.48Å; I63-V67 WeakPolarHBondContact O-CG2 2.77Å; I63-V67 PolarHBondContact O-N 3.3Å |
| 64 | F | 67.5 | Low | 65.9 | Low | 27 Ų | 27 | 66 Ų | 66 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 178 | -94.8 | -92.4 | 0 | 0 | 0 | 112.7 | F60 A61 I62 V66 V67 F68 W81 D85 R88 | F60-F64 WeakPolarHBondContact O-CD2 3.48Å; F60-F64 PolarHBondContact O-N 3.3Å; A61-F64 PolarHBondContact O-N 3.36Å; I62-F64 PolarHBondContact O-N 3.48Å; F64-V66 VanDerWaalsContact C-N 3.33Å; F64-V66 PolarHBondContact O-N 3.12Å; F64-V67 PolarHBondContact O-N 3.44Å; F64-F68 HydrophobicContact CD1-CD2 4.39Å; F64-F68 HydrophobicContact CD1-CE2 4Å; F64-F68 WeakPolarHBondContact O-CB 3.5Å; F64-F68 VanDerWaalsContact O-CD2 3.32Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 PolarHBondContact O-N 2.64Å; F64-W81 HydrophobicContact CD1-CE3 4.39Å; F64-W81 AromaticContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CE1-CE3 4.19Å; F64-W81 AromaticContact CE1-CZ3 3.95Å; F64-W81 HydrophobicContact CE1-CZ3 3.95Å; F64-D85 HydrophobicContact CE1-CB 4.24Å; F64-R88 VanDerWaalsContact CD2-CD 3.43Å; F64-R88 HydrophobicContact CE2-CB 4.27Å; F64-R88 HydrophobicContact CE2-CG 4.33Å; F64-R88 HydrophobicContact CZ-CB 4.43Å |
| 65 | F | 67.9 | Low | 64.9 | Low | 27 Ų | 27 | 70.9 Ų | 70.9 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 175.5 | -172.2 | -102.6 | 0 | 0 | 0 | 112 | L16 Y19 L28 I32 A61 I62 I63 M69 | L16-F65 HydrophobicContact CD1-CE1 3.57Å; L16-F65 HydrophobicContact CD1-CZ 3.8Å; L16-F65 HydrophobicContact CD2-CE1 4.34Å; L16-F65 HydrophobicContact CD2-CZ 3.69Å; L16-F65 HydrophobicContact CG-CE1 3.72Å; L16-F65 HydrophobicContact CG-CZ 3.43Å; L16-F65 VanDerWaalsContact CG-CZ 3.43Å; Y19-F65 HydrophobicContact CD1-CE2 4.32Å; L28-F65 HydrophobicContact CD2-CB 4.09Å; L28-F65 HydrophobicContact CD2-CD2 3.62Å; L28-F65 HydrophobicContact CD2-CG 4.38Å; I32-F65 HydrophobicContact CD1-CB 4.22Å; I32-F65 HydrophobicContact CD1-CD2 3.95Å; I32-F65 HydrophobicContact CD1-CG 4.2Å; A61-F65 WeakPolarHBondContact O-CB 3.5Å; A61-F65 PolarHBondContact O-N 3.37Å; I62-F65 WeakPolarHBondContact O-CB 3.23Å; I62-F65 PolarHBondContact O-N 3.17Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 3.12Å; F65-M69 HydrophobicContact CD1-CG 4.07Å; F65-M69 HydrophobicContact CE1-CG 3.87Å; F65-M69 HydrophobicContact CZ-CG 4.29Å; F65-M69 WeakPolarHBondContact O-CB 3.5Å; F65-M69 VanDerWaalsContact O-CG 3.29Å; F65-M69 WeakPolarHBondContact O-CG 3.49Å; F65-M69 PolarHBondContact O-N 2.94Å |
| 66 | V | 68.3 | Low | 63.7 | Low | 73 Ų | 73 | 70.5 Ų | 70.5 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111 | I62 I63 F64 M69 M70 | I62-V66 HydrophobicContact CG2-CG2 4.46Å; I62-V66 VanDerWaalsContact O-CG2 3.32Å; I62-V66 WeakPolarHBondContact O-CG2 2.96Å; I62-V66 PolarHBondContact O-N 2.94Å; I63-V66 PolarHBondContact O-N 3.48Å; F64-V66 VanDerWaalsContact C-N 3.33Å; F64-V66 PolarHBondContact O-N 3.12Å; V66-M69 WeakPolarHBondContact O-CB 3.38Å; V66-M69 PolarHBondContact O-N 3.11Å; V66-M70 PolarHBondContact O-N 2.93Å |
| 67 | V | 67.8 | Low | 62.6 | Low | 27 Ų | 27 | 75.9 Ų | 75.9 | 16% | 0.164 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | -178.7 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | I63 F64 M70 M72 W81 | I63-V67 WeakPolarHBondContact O-CG2 2.77Å; I63-V67 PolarHBondContact O-N 3.3Å; F64-V67 PolarHBondContact O-N 3.44Å; V67-M70 PolarHBondContact O-N 3.03Å; V67-M72 HydrophobicContact CG1-CB 4.02Å; V67-W81 HydrophobicContact CB-CH2 3.51Å; V67-W81 HydrophobicContact CB-CZ2 4.35Å; V67-W81 HydrophobicContact CB-CZ3 3.75Å; V67-W81 HydrophobicContact CG1-CE3 4.33Å; V67-W81 HydrophobicContact CG1-CH2 2.97Å; V67-W81 HydrophobicContact CG1-CZ2 3.34Å; V67-W81 HydrophobicContact CG1-CZ3 3.49Å; V67-W81 VanDerWaalsContact CG1-CZ3 3.49Å; V67-W81 HydrophobicContact CG2-CH2 3.86Å; V67-W81 HydrophobicContact CG2-CZ3 4.45Å |
| 68 | F | 61.8 | Low | 61.5 | Low | 29 Ų | 29 | 81.5 Ų | 81.5 | 13% | 0.127 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 171.4 | -87.1 | -65.4 | 0 | 0 | 0 | 112.2 | Y19 L28 F64 M70 E71 | Y19-F68 HydrophobicContact CE1-CB 4.33Å; Y19-F68 HydrophobicContact CE2-CB 4.42Å; Y19-F68 WeakPolarHBondContact OH-CB 2.95Å; Y19-F68 WeakPolarHBondContact OH-CD1 3.37Å; Y19-F68 WeakPolarHBondContact OH-CG 3.28Å; L28-F68 HydrophobicContact CD1-CD2 4.49Å; L28-F68 HydrophobicContact CD1-CE2 4.49Å; F64-F68 HydrophobicContact CD1-CD2 4.39Å; F64-F68 HydrophobicContact CD1-CE2 4Å; F64-F68 WeakPolarHBondContact O-CB 3.5Å; F64-F68 VanDerWaalsContact O-CD2 3.32Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 PolarHBondContact O-N 2.64Å; F68-M70 VanDerWaalsContact C-N 3.32Å; F68-M70 PolarHBondContact O-N 3.06Å; F68-E71 PolarHBondContact O-N 3.43Å |
| 69 | M | 62.2 | Low | 60.6 | Low | 33 Ų | 33 | 83.5 Ų | 83.5 | 16% | 0.163 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 175.9 | -90.5 | -84.1 | -65.9 | 0 | 0 | 113 | C12 K15 L16 F65 V66 E71 | C12-M69 WeakPolarHBondContact SG-CE 3.32Å; K15-M69 HydrophobicContact CB-CE 3.94Å; K15-M69 HydrophobicContact CB-SD 4.14Å; L16-M69 HydrophobicContact CB-CE 4.31Å; L16-M69 HydrophobicContact CB-SD 4.15Å; L16-M69 HydrophobicContact CG-SD 4.34Å; F65-M69 HydrophobicContact CD1-CG 4.07Å; F65-M69 HydrophobicContact CE1-CG 3.87Å; F65-M69 HydrophobicContact CZ-CG 4.29Å; F65-M69 WeakPolarHBondContact O-CB 3.5Å; F65-M69 VanDerWaalsContact O-CG 3.29Å; F65-M69 WeakPolarHBondContact O-CG 3.49Å; F65-M69 PolarHBondContact O-N 2.94Å; V66-M69 WeakPolarHBondContact O-CB 3.38Å; V66-M69 PolarHBondContact O-N 3.11Å; M69-E71 PolarHBondContact O-N 3.35Å |
| 70 | M | 59.3 | Low | 60 | Low | 137 Ų | 137 | 84 Ų | 84 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 3.3 | 179.8 | -75.8 | -155.3 | 144.5 | 0 | 0 | 113.9 | V66 V67 F68 M72 | V66-M70 PolarHBondContact O-N 2.93Å; V67-M70 PolarHBondContact O-N 3.03Å; F68-M70 VanDerWaalsContact C-N 3.32Å; F68-M70 PolarHBondContact O-N 3.06Å; M70-M72 HydrophobicContact CB-CG 4.16Å; M70-M72 PolarHBondContact O-N 3.35Å |
| 71 | E | 58.6 | Low | 59.7 | Low | 116 Ų | 116 | 80.7 Ų | 80.7 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 24.4 | -176.7 | -65.6 | -174.4 | 92.6 | 0 | 0 | 113.2 | K15 F68 M69 D73 K74 | K15-E71 IonicContact NZ-OE2 2.71Å; F68-E71 PolarHBondContact O-N 3.43Å; M69-E71 PolarHBondContact O-N 3.35Å; E71-D73 PolarHBondContact O-N 2.91Å; E71-K74 PolarHBondContact O-N 3.32Å |
| 72 | M | 50.9 | Low | 59.7 | Low | 85 Ų | 85 | 82.2 Ų | 82.2 | 42% | 0.419 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -65.8 | -10.1 | 179.4 | -87.5 | -174.4 | 52.9 | 0 | 0 | 112.9 | V67 M70 K74 S75 I76 | V67-M72 HydrophobicContact CG1-CB 4.02Å; M70-M72 HydrophobicContact CB-CG 4.16Å; M70-M72 PolarHBondContact O-N 3.35Å; M72-K74 PolarHBondContact O-N 2.87Å; M72-S75 PolarHBondContact O-N 3.43Å; M72-S75 VanDerWaalsContact O-N 3.1Å; M72-I76 PolarHBondContact O-N 2.88Å |
| 73 | D | 51.4 | Low | 59.4 | Low | 80 Ų | 80 | 85.2 Ų | 85.2 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -50.7 | -34 | 165.9 | -173.2 | -99.3 | 0 | 0 | 0 | 112.1 | E71 S75 | E71-D73 PolarHBondContact O-N 2.91Å; D73-S75 PolarHBondContact O-N 3.36Å |
| 74 | K | 48.8 | Very low | 59.3 | Low | 173 Ų | 173 | 83.1 Ų | 83.1 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -73.1 | -21.8 | 179.3 | -108.6 | -168.9 | -178.5 | 85.9 | 0 | 114.6 | E71 M72 | E71-K74 PolarHBondContact O-N 3.32Å; M72-K74 PolarHBondContact O-N 2.87Å |
| 75 | S | 47.3 | Very low | 59.6 | Low | 104 Ų | 104 | 82.2 Ų | 82.2 | 73% | 0.727 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -22 | -172.3 | -161.8 | 0 | 0 | 0 | 0 | 113.7 | M72 D73 | M72-S75 PolarHBondContact O-N 3.43Å; M72-S75 VanDerWaalsContact O-N 3.1Å; D73-S75 PolarHBondContact O-N 3.36Å |
| 76 | I | 49.8 | Very low | 59.9 | Low | 80 Ų | 80 | 82.5 Ų | 82.5 | 41% | 0.41 | 43% | 0.425 | S | S | . | . | trans | -121.1 | 70.6 | 178.4 | -53.2 | -164.6 | 0 | 0 | 0 | 109.1 | M72 V78 V79 | M72-I76 PolarHBondContact O-N 2.88Å; I76-V78 PolarHBondContact O-N 3.36Å; I76-V78 VanDerWaalsContact O-N 3.12Å; I76-V79 HydrophobicContact CG2-CG2 4.39Å | ||
| 77 | Q | 49.8 | Very low | 60.3 | Low | 183 Ų | 183 | 83.4 Ų | 83.4 | 86% | 0.855 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 2.4 | 176.3 | -149.6 | 177.4 | -35.4 | 0 | 0 | 113.2 | ||
| 78 | V | 46.2 | Very low | 60.9 | Low | 137 Ų | 137 | 83.2 Ų | 83.2 | 83% | 0.83 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -26.5 | -176.5 | 174.1 | 0 | 0 | 0 | 0 | 112.5 | I76 | I76-V78 PolarHBondContact O-N 3.36Å; I76-V78 VanDerWaalsContact O-N 3.12Å |
| 79 | V | 53.2 | Low | 61.6 | Low | 76 Ų | 76 | 81.9 Ų | 81.9 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -104.6 | 126.7 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | I76 W81 | I76-V79 HydrophobicContact CG2-CG2 4.39Å; V79-W81 PolarHBondContact O-N 3.27Å |
| 80 | N | 63.5 | Low | 62.3 | Low | 86 Ų | 86 | 82.8 Ų | 82.8 | 46% | 0.46 | 43% | 0.429 | S | S | . | . | trans | -73.1 | 82.6 | 178.5 | -161 | 104.1 | 0 | 0 | 0 | 109.4 | V82 W83 S84 | N80-V82 PolarHBondContact O-N 3.36Å; N80-W83 HydrophobicContact CB-CB 4.19Å; N80-W83 HydrophobicContact CB-CG 4.29Å; N80-W83 PolarHBondContact ND2-N 3.43Å; N80-W83 VanDerWaalsContact ND2-N 3.12Å; N80-W83 WeakPolarHBondContact O-CA 3.27Å; N80-W83 WeakPolarHBondContact O-CB 3.37Å; N80-W83 PolarHBondContact O-N 3.23Å; N80-S84 PolarHBondContact O-N 2.9Å | ||
| 81 | W | 64.4 | Low | 63.3 | Low | 48 Ų | 48 | 80.6 Ų | 80.6 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -47 | -36.6 | -179.8 | -90.8 | 88.1 | 0 | 0 | 0 | 113.1 | F64 V67 V79 W83 S84 D85 | F64-W81 HydrophobicContact CD1-CE3 4.39Å; F64-W81 AromaticContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CE1-CE3 4.19Å; F64-W81 AromaticContact CE1-CZ3 3.95Å; F64-W81 HydrophobicContact CE1-CZ3 3.95Å; V67-W81 HydrophobicContact CB-CH2 3.51Å; V67-W81 HydrophobicContact CB-CZ2 4.35Å; V67-W81 HydrophobicContact CB-CZ3 3.75Å; V67-W81 HydrophobicContact CG1-CE3 4.33Å; V67-W81 HydrophobicContact CG1-CH2 2.97Å; V67-W81 HydrophobicContact CG1-CZ2 3.34Å; V67-W81 HydrophobicContact CG1-CZ3 3.49Å; V67-W81 VanDerWaalsContact CG1-CZ3 3.49Å; V67-W81 HydrophobicContact CG2-CH2 3.86Å; V67-W81 HydrophobicContact CG2-CZ3 4.45Å; V79-W81 PolarHBondContact O-N 3.27Å; W81-W83 VanDerWaalsContact C-N 3.34Å; W81-W83 PolarHBondContact O-N 2.9Å; W81-S84 PolarHBondContact O-N 3.4Å; W81-D85 WeakPolarHBondContact O-CB 3.34Å; W81-D85 PolarHBondContact O-N 3.5Å |
| 82 | V | 67.9 | Low | 64.2 | Low | 34 Ų | 34 | 75.1 Ų | 75.1 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.1 | -32 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 112.9 | N80 L86 I134 I138 | N80-V82 PolarHBondContact O-N 3.36Å; V82-L86 WeakPolarHBondContact O-CB 3.17Å; V82-L86 PolarHBondContact O-N 3.25Å; V82-L86 VanDerWaalsContact O-N 3.11Å; V82-I134 HydrophobicContact CG1-CG2 3.33Å; V82-I138 HydrophobicContact CG1-CD1 3.67Å; V82-I138 HydrophobicContact CG1-CG1 3.55Å |
| 83 | W | 66.3 | Low | 65.6 | Low | 146 Ų | 146 | 71.4 Ų | 71.4 | 55% | 0.553 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -74.4 | -40.2 | 174.9 | -85.4 | 117.1 | 0 | 0 | 0 | 110.4 | N80 W81 D85 L86 I87 | N80-W83 HydrophobicContact CB-CB 4.19Å; N80-W83 HydrophobicContact CB-CG 4.29Å; N80-W83 PolarHBondContact ND2-N 3.43Å; N80-W83 VanDerWaalsContact ND2-N 3.12Å; N80-W83 WeakPolarHBondContact O-CA 3.27Å; N80-W83 WeakPolarHBondContact O-CB 3.37Å; N80-W83 PolarHBondContact O-N 3.23Å; W81-W83 VanDerWaalsContact C-N 3.34Å; W81-W83 PolarHBondContact O-N 2.9Å; W83-D85 VanDerWaalsContact C-N 3.33Å; W83-L86 HydrophobicContact CE3-CD2 4.49Å; W83-L86 PolarHBondContact O-N 2.92Å; W83-I87 VanDerWaalsContact O-CG1 3.31Å; W83-I87 WeakPolarHBondContact O-CG1 3.11Å; W83-I87 PolarHBondContact O-N 3.45Å |
| 84 | S | 72.2 | Confident | 66.9 | Low | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | N80 W81 I87 R88 | N80-S84 PolarHBondContact O-N 2.9Å; W81-S84 PolarHBondContact O-N 3.4Å; S84-I87 PolarHBondContact O-N 3.37Å; S84-R88 PolarHBondContact O-N 2.94Å |
| 85 | D | 73.1 | Confident | 68.3 | Low | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 174.7 | -162.8 | -135 | 0 | 0 | 0 | 111.4 | F64 W81 W83 I87 R88 A89 I134 | F64-D85 HydrophobicContact CE1-CB 4.24Å; W81-D85 WeakPolarHBondContact O-CB 3.34Å; W81-D85 PolarHBondContact O-N 3.5Å; W83-D85 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 2.74Å; D85-R88 WeakPolarHBondContact O-CB 3.02Å; D85-R88 PolarHBondContact O-N 2.96Å; D85-R88 IonicContact OD2-CZ 3.66Å; D85-R88 IonicContact OD2-NH1 3.64Å; D85-R88 PolarHBondContact OD2-NH1 2.9Å; D85-R88 IonicContact OD2-NH2 2.78Å; D85-A89 WeakPolarHBondContact O-CB 3.12Å; D85-A89 PolarHBondContact O-N 3.05Å; D85-I134 HydrophobicContact CB-CD1 4.38Å; D85-I134 WeakPolarHBondContact OD1-CD1 3.13Å |
| 86 | L | 75.1 | Confident | 69.7 | Low | 32 Ų | 32 | 59.6 Ų | 59.6 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 175.9 | -173.7 | 135.8 | 0 | 0 | 0 | 112.9 | V82 W83 A89 A90 I134 F135 | V82-L86 WeakPolarHBondContact O-CB 3.17Å; V82-L86 PolarHBondContact O-N 3.25Å; V82-L86 VanDerWaalsContact O-N 3.11Å; W83-L86 HydrophobicContact CE3-CD2 4.49Å; W83-L86 PolarHBondContact O-N 2.92Å; L86-A89 PolarHBondContact O-N 3.13Å; L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 3.38Å; L86-I134 HydrophobicContact CB-CG2 4.21Å; L86-I134 HydrophobicContact CD1-CB 4.43Å; L86-I134 HydrophobicContact CD1-CG2 3.96Å; L86-F135 HydrophobicContact CD1-CB 4.37Å |
| 87 | I | 76.2 | Confident | 71.1 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 176 | -68.7 | 167.6 | 0 | 0 | 0 | 110.4 | W83 S84 D85 A90 I91 | W83-I87 VanDerWaalsContact O-CG1 3.31Å; W83-I87 WeakPolarHBondContact O-CG1 3.11Å; W83-I87 PolarHBondContact O-N 3.45Å; S84-I87 PolarHBondContact O-N 3.37Å; D85-I87 PolarHBondContact O-N 2.74Å; I87-A90 PolarHBondContact O-N 2.87Å; I87-I91 HydrophobicContact CG2-CD1 3.61Å; I87-I91 HydrophobicContact CG2-CG1 4.28Å; I87-I91 WeakPolarHBondContact O-CB 3.44Å; I87-I91 VanDerWaalsContact O-CG1 3.23Å; I87-I91 WeakPolarHBondContact O-CG1 3.38Å; I87-I91 PolarHBondContact O-N 3.4Å |
| 88 | R | 80.4 | Confident | 72.5 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 174.4 | -172.1 | -169.4 | 90.4 | -125 | -3.1 | 110.6 | E31 F64 S84 D85 A90 I91 G92 | E31-R88 IonicContact OE1-CZ 3.72Å; E31-R88 IonicContact OE1-NE 3.95Å; E31-R88 IonicContact OE1-NH2 3.49Å; E31-R88 PolarHBondContact OE1-NH2 3.29Å; F64-R88 VanDerWaalsContact CD2-CD 3.43Å; F64-R88 HydrophobicContact CE2-CB 4.27Å; F64-R88 HydrophobicContact CE2-CG 4.33Å; F64-R88 HydrophobicContact CZ-CB 4.43Å; S84-R88 PolarHBondContact O-N 2.94Å; D85-R88 WeakPolarHBondContact O-CB 3.02Å; D85-R88 PolarHBondContact O-N 2.96Å; D85-R88 IonicContact OD2-CZ 3.66Å; D85-R88 IonicContact OD2-NH1 3.64Å; D85-R88 PolarHBondContact OD2-NH1 2.9Å; D85-R88 IonicContact OD2-NH2 2.78Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 3.07Å; R88-I91 PolarHBondContact O-N 3.36Å; R88-G92 PolarHBondContact O-N 2.88Å |
| 89 | A | 77.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -39.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D85 L86 G92 A93 F127 A131 | D85-A89 WeakPolarHBondContact O-CB 3.12Å; D85-A89 PolarHBondContact O-N 3.05Å; L86-A89 PolarHBondContact O-N 3.13Å; A89-G92 PolarHBondContact O-N 2.91Å; A89-A93 VanDerWaalsContact O-CB 3.3Å; A89-A93 WeakPolarHBondContact O-CB 3.41Å; A89-A93 PolarHBondContact O-N 3.43Å; A89-F127 HydrophobicContact CB-CD1 4.05Å; A89-A131 HydrophobicContact CB-CB 4.4Å |
| 90 | A | 76.4 | Confident | 75 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L86 I87 R88 A94 | L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 3.38Å; I87-A90 PolarHBondContact O-N 2.87Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 3.07Å; A90-A94 WeakPolarHBondContact O-CB 3.3Å; A90-A94 PolarHBondContact O-N 3.06Å |
| 91 | I | 80.4 | Confident | 75.7 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.8 | -68.2 | 166.6 | 0 | 0 | 0 | 109.7 | I87 R88 A94 L95 | I87-I91 HydrophobicContact CG2-CD1 3.61Å; I87-I91 HydrophobicContact CG2-CG1 4.28Å; I87-I91 WeakPolarHBondContact O-CB 3.44Å; I87-I91 VanDerWaalsContact O-CG1 3.23Å; I87-I91 WeakPolarHBondContact O-CG1 3.38Å; I87-I91 PolarHBondContact O-N 3.4Å; R88-I91 PolarHBondContact O-N 3.36Å; I91-A94 PolarHBondContact O-N 2.92Å; I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.4Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.47Å; I91-L95 PolarHBondContact O-N 3.49Å |
| 92 | G | 76.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E57 R88 A89 A94 L95 Y96 | E57-G92 VanDerWaalsContact CD-CA 3.41Å; E57-G92 WeakPolarHBondContact OE1-CA 3.14Å; E57-G92 WeakPolarHBondContact OE2-CA 3.37Å; R88-G92 PolarHBondContact O-N 2.88Å; A89-G92 PolarHBondContact O-N 2.91Å; G92-A94 PolarHBondContact O-N 2.99Å; G92-L95 PolarHBondContact O-N 2.92Å; G92-Y96 WeakPolarHBondContact O-CB 3.46Å; G92-Y96 WeakPolarHBondContact O-CD2 3.26Å; G92-Y96 PolarHBondContact O-N 2.92Å |
| 93 | A | 80.5 | Confident | 76.3 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.6 | -49.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A89 L97 F127 | A89-A93 VanDerWaalsContact O-CB 3.3Å; A89-A93 WeakPolarHBondContact O-CB 3.41Å; A89-A93 PolarHBondContact O-N 3.43Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 WeakPolarHBondContact O-CG 3.36Å; A93-L97 PolarHBondContact O-N 2.95Å; A93-F127 HydrophobicContact CB-CB 3.73Å |
| 94 | A | 78.6 | Confident | 76.5 | Confident | 46 Ų | 46 | 42 Ų | 42 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -45.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A90 I91 G92 L97 I98 | A90-A94 WeakPolarHBondContact O-CB 3.3Å; A90-A94 PolarHBondContact O-N 3.06Å; I91-A94 PolarHBondContact O-N 2.92Å; G92-A94 PolarHBondContact O-N 2.99Å; A94-L97 PolarHBondContact O-N 3.22Å; A94-I98 WeakPolarHBondContact O-CB 3.45Å; A94-I98 WeakPolarHBondContact O-CD1 3.31Å; A94-I98 WeakPolarHBondContact O-CG1 3.42Å; A94-I98 PolarHBondContact O-N 3.38Å |
| 95 | L | 78.4 | Confident | 76.5 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 178.9 | -70.7 | 175 | 0 | 0 | 0 | 111.3 | V53 I91 G92 L97 I98 T99 | V53-L95 HydrophobicContact CG1-CB 3.91Å; V53-L95 HydrophobicContact CG1-CD1 4.13Å; V53-L95 HydrophobicContact CG1-CG 4.43Å; I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.4Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.47Å; I91-L95 PolarHBondContact O-N 3.49Å; G92-L95 PolarHBondContact O-N 2.92Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.39Å; L95-I98 PolarHBondContact O-N 3.34Å; L95-T99 WeakPolarHBondContact O-CB 3.41Å; L95-T99 PolarHBondContact O-N 3.43Å; L95-T99 PolarHBondContact O-OG1 3.04Å |
| 96 | Y | 77.7 | Confident | 76.1 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.9 | -84 | -54.5 | 0 | 0 | 0 | 113 | S35 I38 E57 G92 T99 S100 A123 F127 | S35-Y96 WeakPolarHBondContact CA-OH 3.38Å; S35-Y96 VanDerWaalsContact CB-OH 3.27Å; S35-Y96 WeakPolarHBondContact CB-OH 3.41Å; S35-Y96 PolarHBondContact OG-OH 3.39Å; I38-Y96 HydrophobicContact CB-CE1 4.08Å; I38-Y96 HydrophobicContact CD1-CD1 3.8Å; I38-Y96 HydrophobicContact CD1-CE1 3.55Å; I38-Y96 HydrophobicContact CD1-CG 4.49Å; I38-Y96 HydrophobicContact CG1-CE1 4.4Å; I38-Y96 HydrophobicContact CG2-CD1 4.24Å; I38-Y96 HydrophobicContact CG2-CE1 3.61Å; E57-Y96 HydrophobicContact CG-CE2 4.01Å; E57-Y96 WeakPolarHBondContact OE1-CD2 3.5Å; E57-Y96 WeakPolarHBondContact OE1-CE2 3.36Å; G92-Y96 WeakPolarHBondContact O-CB 3.46Å; G92-Y96 WeakPolarHBondContact O-CD2 3.26Å; G92-Y96 PolarHBondContact O-N 2.92Å; Y96-T99 PolarHBondContact O-N 2.92Å; Y96-S100 WeakPolarHBondContact O-CB 3.47Å; Y96-S100 PolarHBondContact O-N 2.87Å; Y96-A123 HydrophobicContact CD1-CB 4.49Å; Y96-A123 HydrophobicContact CD2-CB 3.95Å; Y96-A123 HydrophobicContact CE2-CB 4.4Å; Y96-A123 HydrophobicContact CG-CB 4Å; Y96-F127 AromaticContact CD2-CD2 3.99Å; Y96-F127 HydrophobicContact CD2-CD2 3.99Å; Y96-F127 AromaticContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CE2 3.49Å; Y96-F127 VanDerWaalsContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CZ 4.26Å; Y96-F127 HydrophobicContact CE2-CD2 4.4Å; Y96-F127 AromaticContact CE2-CE2 3.48Å; Y96-F127 HydrophobicContact CE2-CE2 3.48Å; Y96-F127 VanDerWaalsContact CE2-CE2 3.48Å; Y96-F127 AromaticContact CE2-CZ 4Å; Y96-F127 HydrophobicContact CE2-CZ 4Å |
| 97 | L | 78.9 | Confident | 75.3 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 174.9 | -74.5 | -179.9 | 0 | 0 | 0 | 112.2 | A93 A94 L95 S100 L101 L121 | A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 WeakPolarHBondContact O-CG 3.36Å; A93-L97 PolarHBondContact O-N 2.95Å; A94-L97 PolarHBondContact O-N 3.22Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.39Å; L97-S100 PolarHBondContact O-N 3.22Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 3.48Å; L97-L121 HydrophobicContact CD2-CD2 3.99Å |
| 98 | I | 79.9 | Confident | 74.4 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | 176.4 | -68.5 | 163.3 | 0 | 0 | 0 | 109.9 | A94 L95 S100 L101 I102 | A94-I98 WeakPolarHBondContact O-CB 3.45Å; A94-I98 WeakPolarHBondContact O-CD1 3.31Å; A94-I98 WeakPolarHBondContact O-CG1 3.42Å; A94-I98 PolarHBondContact O-N 3.38Å; L95-I98 PolarHBondContact O-N 3.34Å; I98-S100 PolarHBondContact O-N 3.2Å; I98-L101 PolarHBondContact O-N 3.37Å; I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 WeakPolarHBondContact O-CD1 3.27Å; I98-I102 VanDerWaalsContact O-CG1 3.23Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.03Å |
| 99 | T | 74.2 | Confident | 73.4 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | -177.6 | -38.6 | 0 | 0 | 0 | 0 | 111.4 | Y42 Y50 L95 Y96 I102 C103 | Y42-T99 HydrophobicContact CE1-CG2 4.32Å; Y42-T99 HydrophobicContact CE2-CG2 4.12Å; Y42-T99 WeakPolarHBondContact OH-CG2 3.31Å; Y50-T99 HydrophobicContact CD1-CG2 3.57Å; Y50-T99 HydrophobicContact CD2-CG2 4.47Å; Y50-T99 HydrophobicContact CE1-CG2 4.37Å; Y50-T99 HydrophobicContact CG-CG2 3.63Å; L95-T99 WeakPolarHBondContact O-CB 3.41Å; L95-T99 PolarHBondContact O-N 3.43Å; L95-T99 PolarHBondContact O-OG1 3.04Å; Y96-T99 PolarHBondContact O-N 2.92Å; T99-I102 PolarHBondContact O-N 3.13Å; T99-C103 WeakPolarHBondContact O-CB 3.43Å; T99-C103 PolarHBondContact O-N 2.96Å; T99-C103 PolarHBondContact O-SG 2.79Å |
| 100 | S | 76.8 | Confident | 73 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.7 | -50.3 | 173 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | Y96 L97 I98 I102 C103 V104 G117 L121 | Y96-S100 WeakPolarHBondContact O-CB 3.47Å; Y96-S100 PolarHBondContact O-N 2.87Å; L97-S100 PolarHBondContact O-N 3.22Å; I98-S100 PolarHBondContact O-N 3.2Å; S100-I102 VanDerWaalsContact C-N 3.33Å; S100-I102 PolarHBondContact O-N 3.32Å; S100-C103 PolarHBondContact O-N 2.99Å; S100-C103 VanDerWaalsContact O-N 3.15Å; S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.28Å; S100-G117 WeakPolarHBondContact CB-O 3.3Å; S100-G117 PolarHBondContact OG-O 2.93Å; S100-L121 WeakPolarHBondContact OG-CG 3.36Å; S100-L121 PolarHBondContact OG-N 2.94Å |
| 101 | L | 78.1 | Confident | 72.6 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 56% | 0.555 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | -179.5 | -171.7 | 64.3 | 0 | 0 | 0 | 111.4 | L97 I98 V104 I105 | L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 3.48Å; I98-L101 PolarHBondContact O-N 3.37Å; L101-V104 PolarHBondContact O-N 3.19Å; L101-I105 HydrophobicContact CD1-CD1 3.78Å; L101-I105 HydrophobicContact CD1-CG1 4.32Å; L101-I105 HydrophobicContact CD2-CD1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.66Å; L101-I105 HydrophobicContact CG-CG1 4.49Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CD1 3.39Å; L101-I105 WeakPolarHBondContact O-CG1 3.32Å; L101-I105 PolarHBondContact O-N 2.83Å |
| 102 | I | 74.3 | Confident | 72.1 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.4 | -64.4 | 161.5 | 0 | 0 | 0 | 111.4 | Y50 I98 T99 S100 G106 | Y50-I102 HydrophobicContact CE1-CD1 3.93Å; Y50-I102 HydrophobicContact CE2-CG2 4.13Å; Y50-I102 WeakPolarHBondContact OH-CG2 3.41Å; I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 WeakPolarHBondContact O-CD1 3.27Å; I98-I102 VanDerWaalsContact O-CG1 3.23Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.03Å; T99-I102 PolarHBondContact O-N 3.13Å; S100-I102 VanDerWaalsContact C-N 3.33Å; S100-I102 PolarHBondContact O-N 3.32Å; I102-G106 PolarHBondContact O-N 3.4Å |
| 103 | C | 70.3 | Confident | 71.7 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.034 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 179.8 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | Y42 T99 S100 G107 | Y42-C103 VanDerWaalsContact CE1-SG 3.53Å; Y42-C103 PolarHBondContact OH-SG 3.29Å; T99-C103 WeakPolarHBondContact O-CB 3.43Å; T99-C103 PolarHBondContact O-N 2.96Å; T99-C103 PolarHBondContact O-SG 2.79Å; S100-C103 PolarHBondContact O-N 2.99Å; S100-C103 VanDerWaalsContact O-N 3.15Å; C103-G107 WeakPolarHBondContact O-CA 3.39Å; C103-G107 PolarHBondContact O-N 2.87Å; C103-G107 VanDerWaalsContact O-N 3.17Å |
| 104 | V | 70.5 | Confident | 71.4 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 44% | 0.436 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.4 | -45.2 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | S100 L101 | S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.28Å; L101-V104 PolarHBondContact O-N 3.19Å |
| 105 | I | 72.1 | Confident | 71.5 | Confident | 130 Ų | 130 | 56 Ų | 56 | 67% | 0.667 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -73.1 | -38.3 | -178 | -63.6 | 168.9 | 0 | 0 | 0 | 111.7 | L101 G107 | L101-I105 HydrophobicContact CD1-CD1 3.78Å; L101-I105 HydrophobicContact CD1-CG1 4.32Å; L101-I105 HydrophobicContact CD2-CD1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.66Å; L101-I105 HydrophobicContact CG-CG1 4.49Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CD1 3.39Å; L101-I105 WeakPolarHBondContact O-CG1 3.32Å; L101-I105 PolarHBondContact O-N 2.83Å; I105-G107 VanDerWaalsContact C-N 3.35Å |
| 106 | G | 66.6 | Low | 71.2 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 3.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | I102 A108 R113 | I102-G106 PolarHBondContact O-N 3.4Å; G106-A108 VanDerWaalsContact C-N 3.3Å; G106-A108 PolarHBondContact O-N 2.87Å; G106-R113 PolarHBondContact O-NH1 2.88Å; G106-R113 VanDerWaalsContact O-NH1 3.16Å; G106-R113 PolarHBondContact O-NH2 3.14Å; G106-R113 VanDerWaalsContact O-NH2 3.12Å |
| 107 | G | 58.2 | Low | 71.2 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | trans | -83.5 | 21.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | C103 I105 G109 I114 | C103-G107 WeakPolarHBondContact O-CA 3.39Å; C103-G107 PolarHBondContact O-N 2.87Å; C103-G107 VanDerWaalsContact O-N 3.17Å; I105-G107 VanDerWaalsContact C-N 3.35Å; G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 PolarHBondContact O-N 3.45Å; G107-I114 WeakPolarHBondContact O-CD1 3.45Å | ||
| 108 | A | 55.4 | Low | 71.3 | Confident | 105 Ų | 105 | 53.3 Ų | 53.3 | 87% | 0.868 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -72.6 | 83.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G106 | G106-A108 VanDerWaalsContact C-N 3.3Å; G106-A108 PolarHBondContact O-N 2.87Å |
| 109 | G | 60.8 | Low | 71.4 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 75% | 0.753 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 146 | -25.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117 | G107 | G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 PolarHBondContact O-N 3.45Å |
| 110 | D | 68.7 | Low | 71.7 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | trans | -123.5 | 110.7 | -174.1 | -76.4 | -63.2 | 0 | 0 | 0 | 112.3 | A112 R113 I114 | D110-A112 PolarHBondContact O-N 3.46Å; D110-R113 HydrophobicContact CB-CB 4.24Å; D110-R113 HydrophobicContact CB-CG 3.94Å; D110-R113 PolarHBondContact O-N 3.2Å; D110-I114 PolarHBondContact O-N 3.26Å | ||
| 111 | G | 68.3 | Low | 72 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.2 | -30.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R113 I114 A115 | G111-R113 VanDerWaalsContact C-N 3.33Å; G111-R113 PolarHBondContact O-N 3.46Å; G111-I114 PolarHBondContact O-N 3.45Å; G111-A115 WeakPolarHBondContact O-CB 3.37Å; G111-A115 PolarHBondContact O-N 3.23Å |
| 112 | A | 68.9 | Low | 72.3 | Confident | 42 Ų | 42 | 55 Ų | 55 | 35% | 0.347 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -34.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D110 G116 | D110-A112 PolarHBondContact O-N 3.46Å; A112-G116 PolarHBondContact O-N 2.96Å |
| 113 | R | 67.8 | Low | 72.6 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 177.1 | -69.8 | 174.6 | 70 | -156.4 | -2.9 | 111.1 | S45 G106 D110 G111 G116 G117 | S45-R113 WeakPolarHBondContact OG-CG 3.18Å; G106-R113 PolarHBondContact O-NH1 2.88Å; G106-R113 VanDerWaalsContact O-NH1 3.16Å; G106-R113 PolarHBondContact O-NH2 3.14Å; G106-R113 VanDerWaalsContact O-NH2 3.12Å; D110-R113 HydrophobicContact CB-CB 4.24Å; D110-R113 HydrophobicContact CB-CG 3.94Å; D110-R113 PolarHBondContact O-N 3.2Å; G111-R113 VanDerWaalsContact C-N 3.33Å; G111-R113 PolarHBondContact O-N 3.46Å; R113-G116 PolarHBondContact O-N 2.83Å; R113-G117 PolarHBondContact O-N 2.88Å |
| 114 | I | 76.1 | Confident | 73.1 | Confident | 82 Ų | 82 | 52 Ų | 52 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.2 | -63.4 | 168.6 | 0 | 0 | 0 | 110.2 | G107 D110 G111 G116 G117 V118 | G107-I114 WeakPolarHBondContact O-CD1 3.45Å; D110-I114 PolarHBondContact O-N 3.26Å; G111-I114 PolarHBondContact O-N 3.45Å; I114-G116 PolarHBondContact O-N 3.34Å; I114-G117 WeakPolarHBondContact O-CA 3.42Å; I114-G117 PolarHBondContact O-N 3.32Å; I114-G117 VanDerWaalsContact O-N 3.14Å; I114-V118 WeakPolarHBondContact O-CG2 3.45Å; I114-V118 PolarHBondContact O-N 3.31Å |
| 115 | A | 78.7 | Confident | 73.8 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 31% | 0.314 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G111 G117 V118 F119 | G111-A115 WeakPolarHBondContact O-CB 3.37Å; G111-A115 PolarHBondContact O-N 3.23Å; A115-G117 VanDerWaalsContact C-N 3.26Å; A115-G117 PolarHBondContact O-N 3.49Å; A115-V118 PolarHBondContact O-N 3Å; A115-F119 WeakPolarHBondContact O-CD2 3.49Å; A115-F119 PolarHBondContact O-N 2.94Å |
| 116 | G | 73.8 | Confident | 74.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.9 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A112 R113 I114 F119 G120 | A112-G116 PolarHBondContact O-N 2.96Å; R113-G116 PolarHBondContact O-N 2.83Å; I114-G116 PolarHBondContact O-N 3.34Å; G116-F119 PolarHBondContact O-N 2.72Å; G116-G120 PolarHBondContact O-N 2.98Å |
| 117 | G | 76.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S100 R113 I114 A115 F119 G120 L121 | S100-G117 WeakPolarHBondContact CB-O 3.3Å; S100-G117 PolarHBondContact OG-O 2.93Å; R113-G117 PolarHBondContact O-N 2.88Å; I114-G117 WeakPolarHBondContact O-CA 3.42Å; I114-G117 PolarHBondContact O-N 3.32Å; I114-G117 VanDerWaalsContact O-N 3.14Å; A115-G117 VanDerWaalsContact C-N 3.26Å; A115-G117 PolarHBondContact O-N 3.49Å; G117-F119 PolarHBondContact O-N 2.97Å; G117-G120 PolarHBondContact O-N 3.33Å; G117-L121 PolarHBondContact O-N 3.41Å |
| 118 | V | 82.2 | Confident | 76 | Confident | 78 Ų | 78 | 51 Ų | 51 | 47% | 0.473 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 178 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | I114 A115 G120 L121 L122 | I114-V118 WeakPolarHBondContact O-CG2 3.45Å; I114-V118 PolarHBondContact O-N 3.31Å; A115-V118 PolarHBondContact O-N 3Å; V118-G120 VanDerWaalsContact C-N 3.35Å; V118-G120 PolarHBondContact O-N 3.02Å; V118-L121 WeakPolarHBondContact O-CB 3.42Å; V118-L121 PolarHBondContact O-N 2.96Å; V118-L122 PolarHBondContact O-N 3.48Å |
| 119 | F | 80.7 | Confident | 77.3 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 175.2 | -76.2 | -67.7 | 0 | 0 | 0 | 112.4 | I37 I38 A115 G116 G117 L121 L122 A123 | I37-F119 HydrophobicContact CG2-CD1 4.28Å; I37-F119 HydrophobicContact CG2-CD2 4.45Å; I37-F119 HydrophobicContact CG2-CE1 4.42Å; I37-F119 HydrophobicContact CG2-CG 4.31Å; I38-F119 HydrophobicContact CD1-CB 4.49Å; I38-F119 HydrophobicContact CG1-CB 3.81Å; A115-F119 WeakPolarHBondContact O-CD2 3.49Å; A115-F119 PolarHBondContact O-N 2.94Å; G116-F119 PolarHBondContact O-N 2.72Å; G117-F119 PolarHBondContact O-N 2.97Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 3.25Å; F119-L122 HydrophobicContact CD1-CD1 4.3Å; F119-L122 WeakPolarHBondContact O-CB 3.18Å; F119-L122 PolarHBondContact O-N 2.81Å; F119-A123 PolarHBondContact O-N 2.6Å |
| 120 | G | 79.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G116 G117 V118 A123 G124 | G116-G120 PolarHBondContact O-N 2.98Å; G117-G120 PolarHBondContact O-N 3.33Å; V118-G120 VanDerWaalsContact C-N 3.35Å; V118-G120 PolarHBondContact O-N 3.02Å; G120-A123 WeakPolarHBondContact O-CB 3.46Å; G120-A123 PolarHBondContact O-N 3Å; G120-G124 PolarHBondContact O-N 2.88Å |
| 121 | L | 83.4 | Confident | 78.8 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 174.1 | -116.5 | 164.8 | 0 | 0 | 0 | 111.5 | L97 S100 G117 V118 F119 A123 G124 I125 | L97-L121 HydrophobicContact CD2-CD2 3.99Å; S100-L121 WeakPolarHBondContact OG-CG 3.36Å; S100-L121 PolarHBondContact OG-N 2.94Å; G117-L121 PolarHBondContact O-N 3.41Å; V118-L121 WeakPolarHBondContact O-CB 3.42Å; V118-L121 PolarHBondContact O-N 2.96Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 3.25Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.1Å; L121-G124 PolarHBondContact O-N 3.5Å; L121-I125 WeakPolarHBondContact O-CG1 3.39Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.1Å |
| 122 | L | 84.8 | Confident | 79.4 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 173.2 | -78.4 | 165.8 | 0 | 0 | 0 | 111.8 | V118 F119 I125 L126 | V118-L122 PolarHBondContact O-N 3.48Å; F119-L122 HydrophobicContact CD1-CD1 4.3Å; F119-L122 WeakPolarHBondContact O-CB 3.18Å; F119-L122 PolarHBondContact O-N 2.81Å; L122-I125 PolarHBondContact O-N 3.3Å; L122-L126 PolarHBondContact O-N 3.33Å |
| 123 | A | 80.3 | Confident | 80 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I34 I38 Y96 F119 G120 L121 I125 L126 F127 | I34-A123 HydrophobicContact CG2-CB 3.35Å; I38-A123 HydrophobicContact CD1-CB 3.55Å; Y96-A123 HydrophobicContact CD1-CB 4.49Å; Y96-A123 HydrophobicContact CD2-CB 3.95Å; Y96-A123 HydrophobicContact CE2-CB 4.4Å; Y96-A123 HydrophobicContact CG-CB 4Å; F119-A123 PolarHBondContact O-N 2.6Å; G120-A123 WeakPolarHBondContact O-CB 3.46Å; G120-A123 PolarHBondContact O-N 3Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.1Å; A123-I125 VanDerWaalsContact C-N 3.25Å; A123-I125 PolarHBondContact O-N 3.43Å; A123-L126 CarbonylContact O-C 3.59Å; A123-L126 WeakPolarHBondContact O-CA 3.03Å; A123-L126 WeakPolarHBondContact O-CB 3.42Å; A123-L126 PolarHBondContact O-N 2.97Å; A123-F127 HydrophobicContact CB-CD2 4.31Å; A123-F127 HydrophobicContact CB-CE2 4.44Å; A123-F127 VanDerWaalsContact O-CD2 3.27Å; A123-F127 WeakPolarHBondContact O-CD2 3.18Å; A123-F127 PolarHBondContact O-N 3.15Å |
| 124 | G | 81.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.9 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G120 L121 S128 | G120-G124 PolarHBondContact O-N 2.88Å; L121-G124 PolarHBondContact O-N 3.5Å; G124-S128 WeakPolarHBondContact O-CB 3.41Å; G124-S128 PolarHBondContact O-N 2.89Å; G124-S128 PolarHBondContact O-OG 3Å |
| 125 | I | 84.8 | Confident | 80.6 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 56% | 0.559 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.7 | -43.8 | 174.4 | -64.2 | 167.9 | 0 | 0 | 0 | 110.9 | L121 L122 A123 S128 Y129 | L121-I125 WeakPolarHBondContact O-CG1 3.39Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.1Å; L122-I125 PolarHBondContact O-N 3.3Å; A123-I125 VanDerWaalsContact C-N 3.25Å; A123-I125 PolarHBondContact O-N 3.43Å; I125-S128 WeakPolarHBondContact O-CB 3.33Å; I125-S128 PolarHBondContact O-N 3.25Å; I125-Y129 PolarHBondContact O-N 3.33Å |
| 126 | L | 82.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 179.8 | -155.1 | 92.9 | 0 | 0 | 0 | 111.9 | A30 E31 I34 L122 A123 S128 Y129 D130 | A30-L126 HydrophobicContact CB-CD2 4.02Å; E31-L126 HydrophobicContact CB-CD2 4.46Å; I34-L126 HydrophobicContact CD1-CD1 4.44Å; I34-L126 HydrophobicContact CD1-CD2 4.08Å; L122-L126 PolarHBondContact O-N 3.33Å; A123-L126 CarbonylContact O-C 3.59Å; A123-L126 WeakPolarHBondContact O-CA 3.03Å; A123-L126 WeakPolarHBondContact O-CB 3.42Å; A123-L126 PolarHBondContact O-N 2.97Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 3.43Å; L126-Y129 WeakPolarHBondContact O-CB 3.29Å; L126-Y129 PolarHBondContact O-N 2.95Å; L126-Y129 VanDerWaalsContact O-N 3.14Å; L126-D130 PolarHBondContact O-N 2.91Å |
| 127 | F | 79.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 175.1 | -85.4 | -81.6 | 0 | 0 | 0 | 111.9 | E31 E57 A89 A93 Y96 A123 Y129 D130 A131 | E31-F127 HydrophobicContact CG-CD1 3.92Å; E31-F127 HydrophobicContact CG-CD2 4.25Å; E31-F127 HydrophobicContact CG-CE1 3.37Å; E31-F127 HydrophobicContact CG-CE2 3.64Å; E31-F127 HydrophobicContact CG-CG 4.37Å; E31-F127 HydrophobicContact CG-CZ 3.18Å; E31-F127 WeakPolarHBondContact OE1-CE1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CD1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CE1 3.33Å; E57-F127 HydrophobicContact CG-CZ 4.39Å; A89-F127 HydrophobicContact CB-CD1 4.05Å; A93-F127 HydrophobicContact CB-CB 3.73Å; Y96-F127 AromaticContact CD2-CD2 3.99Å; Y96-F127 HydrophobicContact CD2-CD2 3.99Å; Y96-F127 AromaticContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CE2 3.49Å; Y96-F127 VanDerWaalsContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CZ 4.26Å; Y96-F127 HydrophobicContact CE2-CD2 4.4Å; Y96-F127 AromaticContact CE2-CE2 3.48Å; Y96-F127 HydrophobicContact CE2-CE2 3.48Å; Y96-F127 VanDerWaalsContact CE2-CE2 3.48Å; Y96-F127 AromaticContact CE2-CZ 4Å; Y96-F127 HydrophobicContact CE2-CZ 4Å; A123-F127 HydrophobicContact CB-CD2 4.31Å; A123-F127 HydrophobicContact CB-CE2 4.44Å; A123-F127 VanDerWaalsContact O-CD2 3.27Å; A123-F127 WeakPolarHBondContact O-CD2 3.18Å; A123-F127 PolarHBondContact O-N 3.15Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 PolarHBondContact O-N 2.96Å; F127-D130 PolarHBondContact O-N 2.94Å; F127-A131 WeakPolarHBondContact O-CB 3.49Å; F127-A131 PolarHBondContact O-N 3.22Å |
| 128 | S | 82.4 | Confident | 80.8 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | G124 I125 L126 Y132 | G124-S128 WeakPolarHBondContact O-CB 3.41Å; G124-S128 PolarHBondContact O-N 2.89Å; G124-S128 PolarHBondContact O-OG 3Å; I125-S128 WeakPolarHBondContact O-CB 3.33Å; I125-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 3.43Å; S128-Y132 WeakPolarHBondContact O-CB 3.43Å; S128-Y132 PolarHBondContact O-N 3.5Å |
| 129 | Y | 82.4 | Confident | 80.6 | Confident | 142 Ų | 142 | 58.4 Ų | 58.4 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.7 | -39.9 | 175 | -175.7 | -94.3 | 0 | 0 | 0 | 112 | I125 L126 F127 Y132 T133 | I125-Y129 PolarHBondContact O-N 3.33Å; L126-Y129 WeakPolarHBondContact O-CB 3.29Å; L126-Y129 PolarHBondContact O-N 2.95Å; L126-Y129 VanDerWaalsContact O-N 3.14Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 PolarHBondContact O-N 2.96Å; Y129-Y132 PolarHBondContact O-N 3.14Å; Y129-T133 WeakPolarHBondContact O-CB 3.48Å; Y129-T133 PolarHBondContact O-N 3.49Å; Y129-T133 PolarHBondContact O-OG1 3.26Å |
| 130 | D | 80.8 | Confident | 80.4 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -51.8 | 173.7 | -176 | -104.5 | 0 | 0 | 0 | 111 | I27 L126 F127 Y132 T133 I134 | I27-D130 HydrophobicContact CG2-CB 3.63Å; I27-D130 WeakPolarHBondContact CG2-OD2 3.14Å; L126-D130 PolarHBondContact O-N 2.91Å; F127-D130 PolarHBondContact O-N 2.94Å; D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.47Å; D130-T133 PolarHBondContact O-N 3.1Å; D130-I134 WeakPolarHBondContact O-CG1 3.35Å; D130-I134 PolarHBondContact O-N 3.45Å; D130-I134 WeakPolarHBondContact OD1-CD1 3.34Å |
| 131 | A | 79.4 | Confident | 79.9 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A89 F127 F135 | A89-A131 HydrophobicContact CB-CB 4.4Å; F127-A131 WeakPolarHBondContact O-CB 3.49Å; F127-A131 PolarHBondContact O-N 3.22Å; A131-F135 VanDerWaalsContact O-CB 3.28Å; A131-F135 WeakPolarHBondContact O-CB 3.17Å; A131-F135 PolarHBondContact O-N 2.72Å |
| 132 | Y | 81.9 | Confident | 79.1 | Confident | 139 Ų | 139 | 66.3 Ų | 66.3 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 176 | -176.6 | -101.7 | 0 | 0 | 0 | 112.6 | S128 Y129 D130 F135 L136 | S128-Y132 WeakPolarHBondContact O-CB 3.43Å; S128-Y132 PolarHBondContact O-N 3.5Å; Y129-Y132 PolarHBondContact O-N 3.14Å; D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.47Å; Y132-F135 WeakPolarHBondContact O-CB 3.39Å; Y132-F135 PolarHBondContact O-N 2.97Å; Y132-L136 HydrophobicContact CD1-CD1 3.96Å; Y132-L136 HydrophobicContact CD1-CG 4.36Å; Y132-L136 HydrophobicContact CE1-CD1 3.38Å; Y132-L136 HydrophobicContact CE1-CG 3.94Å; Y132-L136 PolarHBondContact O-N 3.49Å |
| 133 | T | 80.2 | Confident | 78 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 179 | -50.8 | 0 | 0 | 0 | 0 | 110.7 | I27 Y129 D130 L136 V137 | I27-T133 HydrophobicContact CD1-CG2 4.11Å; Y129-T133 WeakPolarHBondContact O-CB 3.48Å; Y129-T133 PolarHBondContact O-N 3.49Å; Y129-T133 PolarHBondContact O-OG1 3.26Å; D130-T133 PolarHBondContact O-N 3.1Å; T133-L136 PolarHBondContact O-N 3Å; T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 3.48Å; T133-V137 VanDerWaalsContact O-N 3.07Å |
| 134 | I | 78.3 | Confident | 76.8 | Confident | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 172.5 | -70.4 | 166.6 | 0 | 0 | 0 | 110.5 | V82 D85 L86 D130 L136 V137 I138 | V82-I134 HydrophobicContact CG1-CG2 3.33Å; D85-I134 HydrophobicContact CB-CD1 4.38Å; D85-I134 WeakPolarHBondContact OD1-CD1 3.13Å; L86-I134 HydrophobicContact CB-CG2 4.21Å; L86-I134 HydrophobicContact CD1-CB 4.43Å; L86-I134 HydrophobicContact CD1-CG2 3.96Å; D130-I134 WeakPolarHBondContact O-CG1 3.35Å; D130-I134 PolarHBondContact O-N 3.45Å; D130-I134 WeakPolarHBondContact OD1-CD1 3.34Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 3.39Å; I134-V137 WeakPolarHBondContact O-CB 3.35Å; I134-V137 PolarHBondContact O-N 3.38Å; I134-V137 VanDerWaalsContact O-N 3.13Å; I134-I138 HydrophobicContact CG2-CD1 3.98Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.16Å |
| 135 | F | 79.8 | Confident | 75.5 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 178.7 | -177.2 | -97.3 | 0 | 0 | 0 | 112.3 | L86 A131 Y132 V137 I138 K139 | L86-F135 HydrophobicContact CD1-CB 4.37Å; A131-F135 VanDerWaalsContact O-CB 3.28Å; A131-F135 WeakPolarHBondContact O-CB 3.17Å; A131-F135 PolarHBondContact O-N 2.72Å; Y132-F135 WeakPolarHBondContact O-CB 3.39Å; Y132-F135 PolarHBondContact O-N 2.97Å; F135-V137 PolarHBondContact O-N 2.87Å; F135-I138 PolarHBondContact O-N 3.44Å; F135-K139 WeakPolarHBondContact O-CB 3.33Å; F135-K139 PolarHBondContact O-N 3.17Å |
| 136 | L | 80.4 | Confident | 73.9 | Confident | 76 Ų | 76 | 79.1 Ų | 79.1 | 40% | 0.398 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 175 | -79.4 | -178.4 | 0 | 0 | 0 | 112.6 | Y132 T133 I134 K139 S140 | Y132-L136 HydrophobicContact CD1-CD1 3.96Å; Y132-L136 HydrophobicContact CD1-CG 4.36Å; Y132-L136 HydrophobicContact CE1-CD1 3.38Å; Y132-L136 HydrophobicContact CE1-CG 3.94Å; Y132-L136 PolarHBondContact O-N 3.49Å; T133-L136 PolarHBondContact O-N 3Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 3.39Å; L136-K139 PolarHBondContact O-N 3.15Å; L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 3Å |
| 137 | V | 78.3 | Confident | 72.1 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 35% | 0.352 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 175.7 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | T133 I134 F135 K139 S140 T141 | T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 3.48Å; T133-V137 VanDerWaalsContact O-N 3.07Å; I134-V137 WeakPolarHBondContact O-CB 3.35Å; I134-V137 PolarHBondContact O-N 3.38Å; I134-V137 VanDerWaalsContact O-N 3.13Å; F135-V137 PolarHBondContact O-N 2.87Å; V137-K139 VanDerWaalsContact C-N 3.3Å; V137-K139 PolarHBondContact O-N 3.29Å; V137-S140 PolarHBondContact O-N 3.04Å; V137-T141 PolarHBondContact O-N 3.12Å; V137-T141 PolarHBondContact O-OG1 3.22Å |
| 138 | I | 74.8 | Confident | 70.8 | Confident | 38 Ų | 38 | 85.7 Ų | 85.7 | 20% | 0.195 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 176.4 | -62.6 | 167.1 | 0 | 0 | 0 | 110.3 | V82 I134 F135 T141 R142 | V82-I138 HydrophobicContact CG1-CD1 3.67Å; V82-I138 HydrophobicContact CG1-CG1 3.55Å; I134-I138 HydrophobicContact CG2-CD1 3.98Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.16Å; F135-I138 PolarHBondContact O-N 3.44Å; I138-T141 PolarHBondContact O-N 2.9Å; I138-R142 HydrophobicContact CG2-CG 4.37Å; I138-R142 WeakPolarHBondContact O-CB 3.48Å; I138-R142 VanDerWaalsContact O-CG 3.24Å; I138-R142 WeakPolarHBondContact O-CG 3.47Å; I138-R142 PolarHBondContact O-N 3.41Å |
| 139 | K | 77.6 | Confident | 69.6 | Low | 123 Ų | 123 | 89 Ų | 89 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | -179.8 | -167.7 | -176.7 | -178.9 | -174.5 | 0 | 111.4 | F135 L136 V137 R142 Q143 | F135-K139 WeakPolarHBondContact O-CB 3.33Å; F135-K139 PolarHBondContact O-N 3.17Å; L136-K139 PolarHBondContact O-N 3.15Å; V137-K139 VanDerWaalsContact C-N 3.3Å; V137-K139 PolarHBondContact O-N 3.29Å; K139-R142 PolarHBondContact O-N 3.38Å; K139-Q143 VanDerWaalsContact O-CG 3.26Å; K139-Q143 WeakPolarHBondContact O-CG 3.46Å; K139-Q143 PolarHBondContact O-N 3.17Å; K139-Q143 VanDerWaalsContact O-N 3.12Å |
| 140 | S | 76.3 | Confident | 68.3 | Low | 66 Ų | 66 | 89.8 Ų | 89.8 | 46% | 0.462 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | L136 V137 R142 Q143 H144 | L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 3Å; V137-S140 PolarHBondContact O-N 3.04Å; S140-R142 VanDerWaalsContact C-N 3.35Å; S140-R142 PolarHBondContact O-N 3.48Å; S140-Q143 PolarHBondContact O-N 2.87Å; S140-Q143 VanDerWaalsContact O-N 3.17Å; S140-H144 PolarHBondContact O-N 3.39Å; S140-H144 VanDerWaalsContact O-N 3.16Å |
| 141 | T | 68.9 | Low | 67.2 | Low | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.5 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | V137 I138 Q143 H144 T145 | V137-T141 PolarHBondContact O-N 3.12Å; V137-T141 PolarHBondContact O-OG1 3.22Å; I138-T141 PolarHBondContact O-N 2.9Å; T141-Q143 VanDerWaalsContact C-N 3.28Å; T141-Q143 PolarHBondContact O-N 2.95Å; T141-H144 PolarHBondContact O-N 3.07Å; T141-T145 PolarHBondContact O-N 3.45Å; T141-T145 PolarHBondContact O-OG1 2.98Å |
| 142 | R | 66.5 | Low | 66.2 | Low | 178 Ų | 178 | 106.6 Ų | 106.6 | 67% | 0.672 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.8 | -33.3 | 175.6 | -72.9 | -86.7 | 103.7 | 172.7 | 4.6 | 112.8 | I138 K139 S140 | I138-R142 HydrophobicContact CG2-CG 4.37Å; I138-R142 WeakPolarHBondContact O-CB 3.48Å; I138-R142 VanDerWaalsContact O-CG 3.24Å; I138-R142 WeakPolarHBondContact O-CG 3.47Å; I138-R142 PolarHBondContact O-N 3.41Å; K139-R142 PolarHBondContact O-N 3.38Å; S140-R142 VanDerWaalsContact C-N 3.35Å; S140-R142 PolarHBondContact O-N 3.48Å |
| 143 | Q | 61.8 | Low | 64.9 | Low | 137 Ų | 137 | 110.5 Ų | 110.5 | 64% | 0.64 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.5 | -35.4 | 177.8 | -65.9 | -77.6 | -86.4 | 0 | 0 | 112.3 | K139 S140 T141 A146 | K139-Q143 VanDerWaalsContact O-CG 3.26Å; K139-Q143 WeakPolarHBondContact O-CG 3.46Å; K139-Q143 PolarHBondContact O-N 3.17Å; K139-Q143 VanDerWaalsContact O-N 3.12Å; S140-Q143 PolarHBondContact O-N 2.87Å; S140-Q143 VanDerWaalsContact O-N 3.17Å; T141-Q143 VanDerWaalsContact C-N 3.28Å; T141-Q143 PolarHBondContact O-N 2.95Å; Q143-A146 PolarHBondContact O-N 2.6Å |
| 144 | H | 55.6 | Low | 64.1 | Low | 159 Ų | 159 | 114.6 Ų | 114.6 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.8 | -30.3 | 176.8 | -98.4 | -54.5 | 0 | 0 | 0 | 113.8 | S140 T141 A146 | S140-H144 PolarHBondContact O-N 3.39Å; S140-H144 VanDerWaalsContact O-N 3.16Å; T141-H144 PolarHBondContact O-N 3.07Å; H144-A146 PolarHBondContact O-N 3.5Å |
| 145 | T | 54.7 | Low | 63.3 | Low | 107 Ų | 107 | 120.3 Ų | 120.3 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -13.7 | 173.3 | -48.2 | 0 | 0 | 0 | 0 | 112.7 | T141 | T141-T145 PolarHBondContact O-N 3.45Å; T141-T145 PolarHBondContact O-OG1 2.98Å |
| 146 | A | 50.2 | Low | 62.4 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | 10.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q143 H144 P148 | Q143-A146 PolarHBondContact O-N 2.6Å; H144-A146 PolarHBondContact O-N 3.5Å; A146-P148 WeakPolarHBondContact O-CD 3.5Å |
| 147 | A | 44.7 | Very low | 61.4 | Low | 78 Ų | 78 | 123.1 Ų | 123.1 | 65% | 0.645 | 66% | 0.664 | S | S | * | * | trans | -80.7 | 102.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | T149 | A147-T149 PolarHBondContact O-N 2.96Š| ||
| 148 | P | 51 | Low | 60.3 | Low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -65.5 | 134.4 | 167.2 | -0.8 | 21.4 | 0 | 0 | 0 | 105.8 | A146 D150 | A146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 3.25Å | ||
| 149 | T | 58.4 | Low | 59.4 | Low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | trans | -43.5 | 101.9 | 147.2 | 17.3 | 0 | 0 | 0 | 0 | 107.5 | A147 | A147-T149 PolarHBondContact O-N 2.96Š| ||
| 150 | D | 54.3 | Low | 58 | Low | 158 Ų | 158 | 133.9 Ų | 133.9 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 126.9 | 157.2 | -163.6 | -115 | 0 | 0 | 0 | 106.3 | P148 | P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 3.25Å |
| 151 | D | 57.8 | Low | 56.6 | Low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 151.8 | -157.7 | -79.3 | -84 | 0 | 0 | 0 | 115.4 | V153 | D151-V153 PolarHBondContact O-N 2.89Š|
| 152 | R | 59.2 | Low | 55.6 | Low | 244 Ų | 244 | 143.8 Ų | 143.8 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.7 | 156 | -80.9 | 177.7 | 147.7 | 173.2 | -5.3 | 109.6 | ||
| 153 | V | 53.3 | Low | 54.6 | Low | 222 Ų | 222 | 140.7 Ų | 140.7 | 100% | 1.345 | 78% | 0.78 | S | S | * | * | -160.7 | 0 | 128.2 | -101.7 | 0 | 0 | 0 | 0 | 110.9 | D151 | D151-V153 PolarHBondContact O-N 2.89Š|
Retrieved 153 of 153 residues in 95.1 ms
(Link to these results)