| 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 | 51.4 | Low | 62.6 | Low | 226 Ų | 226 | 107.6 Ų | 107.6 | 100% | 1.113 | 57% | 0.568 | S | S | * | * | 0 | 122.8 | 0 | -75.5 | -171.1 | 109.7 | 0 | 0 | 107.6 | |||||
| 2 | D | 61 | Low | 64.2 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | trans | -72.8 | 136.3 | -176.7 | -172.7 | 11.1 | 0 | 0 | 0 | 109.8 | K4 E5 C6 | D2-K4 PolarHBondContact O-N 3.12Å; D2-K4 VanDerWaalsContact O-N 3.12Å; D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.45Å; D2-C6 PolarHBondContact O-N 3.05Å | ||
| 3 | T | 59.5 | Low | 65.9 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 67% | 0.669 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.8 | -26.8 | -174.1 | -24.7 | 0 | 0 | 0 | 0 | 111.5 | L7 | T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.37Å |
| 4 | K | 59.4 | Low | 67.3 | Low | 151 Ų | 151 | 109.5 Ų | 109.5 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.6 | -36.1 | 176.7 | -64.4 | -180 | 180 | 176.2 | 0 | 113.2 | D2 L7 L8 | D2-K4 PolarHBondContact O-N 3.12Å; D2-K4 VanDerWaalsContact O-N 3.12Å; K4-L7 PolarHBondContact O-N 3.41Å; K4-L8 WeakPolarHBondContact O-CG 3.34Å; K4-L8 PolarHBondContact O-N 3.35Å; K4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | E | 56.3 | Low | 68.7 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.8 | -37.3 | 178.9 | -124.8 | 174.9 | -176 | 0 | 0 | 111.6 | D2 S9 | D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.45Å; E5-S9 PolarHBondContact O-N 2.76Å |
| 6 | C | 57.1 | Low | 70.1 | Confident | 76 Ų | 76 | 102.4 Ų | 102.4 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | D2 S9 T10 | D2-C6 PolarHBondContact O-N 3.05Å; C6-S9 PolarHBondContact O-OG 3.17Å; C6-T10 WeakPolarHBondContact O-CB 3.18Å; C6-T10 PolarHBondContact O-N 2.81Å; C6-T10 PolarHBondContact O-OG1 3.15Å |
| 7 | L | 61.1 | Low | 71.4 | Confident | 111 Ų | 111 | 104 Ų | 104 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.8 | -39.4 | 178 | -69.7 | 169.7 | 0 | 0 | 0 | 111.8 | T3 K4 T10 E11 | T3-L7 WeakPolarHBondContact O-CG 3.38Å; T3-L7 PolarHBondContact O-N 3.37Å; K4-L7 PolarHBondContact O-N 3.41Å; L7-T10 PolarHBondContact O-N 3.09Å; L7-E11 PolarHBondContact O-N 3.18Å |
| 8 | L | 63.6 | Low | 72.5 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 176.3 | -71.6 | 169 | 0 | 0 | 0 | 111.8 | K4 T10 E11 E12 | K4-L8 WeakPolarHBondContact O-CG 3.34Å; K4-L8 PolarHBondContact O-N 3.35Å; K4-L8 VanDerWaalsContact O-N 3.15Å; L8-T10 VanDerWaalsContact C-N 3.26Å; L8-T10 PolarHBondContact O-N 3.01Å; L8-E11 PolarHBondContact O-N 3.2Å; L8-E12 WeakPolarHBondContact O-CG 3.44Å; L8-E12 PolarHBondContact O-N 3.19Å; L8-E12 VanDerWaalsContact O-N 3.09Å |
| 9 | S | 69.2 | Low | 73.6 | Confident | 53 Ų | 53 | 99.5 Ų | 99.5 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 177 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | E5 C6 I13 | E5-S9 PolarHBondContact O-N 2.76Å; C6-S9 PolarHBondContact O-OG 3.17Å; S9-I13 WeakPolarHBondContact O-CD1 3.25Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.85Å; S9-I13 VanDerWaalsContact O-N 3.11Å |
| 10 | T | 73.8 | Confident | 74.6 | Confident | 56 Ų | 56 | 102 Ų | 102 | 34% | 0.344 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | C6 L7 L8 E12 I13 F14 | C6-T10 WeakPolarHBondContact O-CB 3.18Å; C6-T10 PolarHBondContact O-N 2.81Å; C6-T10 PolarHBondContact O-OG1 3.15Å; L7-T10 PolarHBondContact O-N 3.09Å; L8-T10 VanDerWaalsContact C-N 3.26Å; L8-T10 PolarHBondContact O-N 3.01Å; T10-E12 VanDerWaalsContact C-N 3.33Å; T10-E12 PolarHBondContact O-N 3.39Å; T10-I13 PolarHBondContact O-N 3.32Å; T10-F14 HydrophobicContact CG2-CD2 3.98Å; T10-F14 HydrophobicContact CG2-CE2 3.67Å; T10-F14 WeakPolarHBondContact O-CD2 3.48Å; T10-F14 PolarHBondContact O-N 2.89Å |
| 11 | E | 76 | Confident | 75.4 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 35% | 0.346 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 174.8 | -76.7 | -164.7 | 164.4 | 0 | 0 | 111.2 | L7 L8 I13 F14 L15 R47 | L7-E11 PolarHBondContact O-N 3.18Å; L8-E11 PolarHBondContact O-N 3.2Å; E11-I13 PolarHBondContact O-N 3.41Å; E11-F14 PolarHBondContact O-N 2.89Å; E11-L15 WeakPolarHBondContact O-CG 3.37Å; E11-L15 PolarHBondContact O-N 2.96Å; E11-R47 IonicContact OE1-CZ 3.89Å; E11-R47 IonicContact OE1-NH1 3.03Å; E11-R47 PolarHBondContact OE1-NH1 2.91Å; E11-R47 IonicContact OE1-NH2 3.76Å; E11-R47 IonicContact OE2-CZ 3.65Å; E11-R47 IonicContact OE2-NH1 3.51Å; E11-R47 IonicContact OE2-NH2 2.81Å; E11-R47 PolarHBondContact OE2-NH2 2.95Å |
| 12 | E | 81.6 | Confident | 77.4 | Confident | 135 Ų | 135 | 91.2 Ų | 91.2 | 63% | 0.631 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 179.2 | -73.5 | 178.4 | 162.1 | 0 | 0 | 112.8 | L8 T10 F14 L15 A16 | L8-E12 WeakPolarHBondContact O-CG 3.44Å; L8-E12 PolarHBondContact O-N 3.19Å; L8-E12 VanDerWaalsContact O-N 3.09Å; T10-E12 VanDerWaalsContact C-N 3.33Å; T10-E12 PolarHBondContact O-N 3.39Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.33Å; E12-L15 PolarHBondContact O-N 3.5Å; E12-A16 WeakPolarHBondContact O-CB 3.34Å; E12-A16 PolarHBondContact O-N 3.19Å |
| 13 | I | 87.1 | Confident | 78.9 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 175.8 | -69.8 | 162.6 | 0 | 0 | 0 | 111.1 | S9 T10 E11 K17 | S9-I13 WeakPolarHBondContact O-CD1 3.25Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.85Å; S9-I13 VanDerWaalsContact O-N 3.11Å; T10-I13 PolarHBondContact O-N 3.32Å; E11-I13 PolarHBondContact O-N 3.41Å; I13-K17 HydrophobicContact CG2-CD 4.4Å; I13-K17 WeakPolarHBondContact O-CG 3.22Å; I13-K17 PolarHBondContact O-N 3.03Å; I13-K17 VanDerWaalsContact O-N 3.11Å |
| 14 | F | 85.5 | Confident | 80.6 | Confident | 123 Ų | 123 | 92.8 Ų | 92.8 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.3 | -40.5 | 178.2 | -78.3 | -70.7 | 0 | 0 | 0 | 112 | T10 E11 E12 A16 K17 I18 | T10-F14 HydrophobicContact CG2-CD2 3.98Å; T10-F14 HydrophobicContact CG2-CE2 3.67Å; T10-F14 WeakPolarHBondContact O-CD2 3.48Å; T10-F14 PolarHBondContact O-N 2.89Å; E11-F14 PolarHBondContact O-N 2.89Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.33Å; F14-A16 VanDerWaalsContact C-N 3.35Å; F14-A16 PolarHBondContact O-N 3.31Å; F14-K17 WeakPolarHBondContact O-CB 3.38Å; F14-K17 PolarHBondContact O-N 3.08Å; F14-I18 VanDerWaalsContact O-CG1 3.27Å; F14-I18 WeakPolarHBondContact O-CG1 3.49Å; F14-I18 PolarHBondContact O-N 3.19Å |
| 15 | L | 88.2 | Confident | 82 | Confident | 51 Ų | 51 | 89.5 Ų | 89.5 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.7 | -69.5 | 174.1 | 0 | 0 | 0 | 111.6 | E11 E12 K17 I18 E19 F52 | E11-L15 WeakPolarHBondContact O-CG 3.37Å; E11-L15 PolarHBondContact O-N 2.96Å; E12-L15 PolarHBondContact O-N 3.5Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.46Å; L15-I18 PolarHBondContact O-N 2.98Å; L15-E19 WeakPolarHBondContact O-CB 3.44Å; L15-E19 PolarHBondContact O-N 3.43Å; L15-F52 HydrophobicContact CD2-CE2 3.66Å; L15-F52 HydrophobicContact CD2-CZ 3.98Å |
| 16 | A | 90.9 | Very high | 83.4 | Confident | 55 Ų | 55 | 91.8 Ų | 91.8 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E12 F14 E19 K20 | E12-A16 WeakPolarHBondContact O-CB 3.34Å; E12-A16 PolarHBondContact O-N 3.19Å; F14-A16 VanDerWaalsContact C-N 3.35Å; F14-A16 PolarHBondContact O-N 3.31Å; A16-E19 PolarHBondContact O-N 2.95Å; A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 PolarHBondContact O-N 3.29Å |
| 17 | K | 92.1 | Very high | 84.9 | Confident | 129 Ų | 129 | 92.1 Ų | 92.1 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.9 | -42.6 | 173.9 | -75.3 | 175.7 | 179.9 | 178.2 | 0 | 112 | I13 F14 L15 K20 F21 | I13-K17 HydrophobicContact CG2-CD 4.4Å; I13-K17 WeakPolarHBondContact O-CG 3.22Å; I13-K17 PolarHBondContact O-N 3.03Å; I13-K17 VanDerWaalsContact O-N 3.11Å; F14-K17 WeakPolarHBondContact O-CB 3.38Å; F14-K17 PolarHBondContact O-N 3.08Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.46Å; K17-K20 PolarHBondContact O-N 3.43Å; K17-F21 WeakPolarHBondContact O-CB 3.41Å; K17-F21 PolarHBondContact O-N 3.32Å |
| 18 | I | 91.3 | Very high | 86.4 | Confident | 22 Ų | 22 | 86.9 Ų | 86.9 | 11% | 0.113 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.3 | -67.4 | 163.4 | 0 | 0 | 0 | 109.5 | F14 L15 K20 F21 I22 L30 F52 L57 | F14-I18 VanDerWaalsContact O-CG1 3.27Å; F14-I18 WeakPolarHBondContact O-CG1 3.49Å; F14-I18 PolarHBondContact O-N 3.19Å; L15-I18 PolarHBondContact O-N 2.98Å; I18-K20 PolarHBondContact O-N 3.11Å; I18-F21 WeakPolarHBondContact O-CB 3.41Å; I18-F21 PolarHBondContact O-N 3.32Å; I18-F21 VanDerWaalsContact O-N 3.07Å; I18-I22 HydrophobicContact CG2-CG2 4.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.34Å; I18-I22 WeakPolarHBondContact O-CG2 3.29Å; I18-I22 PolarHBondContact O-N 3.22Å; I18-L30 HydrophobicContact CD1-CD1 4.48Å; I18-L30 HydrophobicContact CD1-CD2 4.01Å; I18-F52 HydrophobicContact CB-CE2 4.16Å; I18-F52 HydrophobicContact CB-CZ 3.9Å; I18-F52 HydrophobicContact CD1-CE2 4.37Å; I18-F52 HydrophobicContact CG2-CD1 4.46Å; I18-F52 HydrophobicContact CG2-CD2 4.08Å; I18-F52 HydrophobicContact CG2-CE1 4.01Å; I18-F52 HydrophobicContact CG2-CE2 3.59Å; I18-F52 HydrophobicContact CG2-CG 4.49Å; I18-F52 HydrophobicContact CG2-CZ 3.55Å; I18-L57 HydrophobicContact CG2-CD1 4.34Å; I18-L57 HydrophobicContact CG2-CD2 3.63Å |
| 19 | E | 92.9 | Very high | 87.8 | Confident | 101 Ų | 101 | 84.4 Ų | 84.4 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 177.5 | -174 | 171.8 | -164.4 | 0 | 0 | 112.1 | L15 A16 F21 I22 N23 F52 | L15-E19 WeakPolarHBondContact O-CB 3.44Å; L15-E19 PolarHBondContact O-N 3.43Å; A16-E19 PolarHBondContact O-N 2.95Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 3.44Å; E19-I22 WeakPolarHBondContact O-CG1 3.5Å; E19-N23 VanDerWaalsContact O-CG 3.3Å; E19-N23 PolarHBondContact O-N 3.12Å; E19-N23 PolarHBondContact O-ND2 3.46Å; E19-F52 HydrophobicContact CB-CE1 4.26Å |
| 20 | K | 93.9 | Very high | 88.9 | Confident | 149 Ų | 149 | 83.7 Ų | 83.7 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.2 | -40.7 | 174.3 | -174.9 | 176.2 | 179.9 | 177.9 | 0 | 112 | A16 K17 I18 I24 | A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 PolarHBondContact O-N 3.29Å; K17-K20 PolarHBondContact O-N 3.43Å; I18-K20 PolarHBondContact O-N 3.11Å; K20-I24 HydrophobicContact CG-CD1 4.04Å; K20-I24 WeakPolarHBondContact O-CD1 3.2Å; K20-I24 WeakPolarHBondContact O-CG1 3.37Å; K20-I24 PolarHBondContact O-N 2.98Å |
| 21 | F | 92.2 | Very high | 89.7 | Confident | 87 Ų | 87 | 83.4 Ų | 83.4 | 38% | 0.382 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | -178 | -174.5 | -100 | 0 | 0 | 0 | 112.4 | K17 I18 E19 N23 I24 H25 S28 | K17-F21 WeakPolarHBondContact O-CB 3.41Å; K17-F21 PolarHBondContact O-N 3.32Å; I18-F21 WeakPolarHBondContact O-CB 3.41Å; I18-F21 PolarHBondContact O-N 3.32Å; I18-F21 VanDerWaalsContact O-N 3.07Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 3.44Å; F21-N23 PolarHBondContact O-N 3.39Å; F21-I24 PolarHBondContact O-N 2.82Å; F21-I24 VanDerWaalsContact O-N 3.1Å; F21-H25 AromaticContact CD2-CD2 3.36Å; F21-H25 WeakPolarHBondContact CD2-CD2 3.45Å; F21-H25 AromaticContact CD2-NE2 3.74Å; F21-H25 AromaticContact CE2-CD2 3.19Å; F21-H25 WeakPolarHBondContact CE2-CD2 3.3Å; F21-H25 AromaticContact CE2-NE2 3.44Å; F21-H25 WeakPolarHBondContact CE2-NE2 3.39Å; F21-H25 AromaticContact CG-CD2 3.92Å; F21-H25 HydrophobicContact CZ-CB 4.48Å; F21-H25 AromaticContact CZ-CD2 3.63Å; F21-H25 PolarHBondContact O-CD2 3.2Å; F21-H25 PolarHBondContact O-N 3.47Å; F21-S28 WeakPolarHBondContact CE1-OG 3.27Å |
| 22 | I | 93.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 81.3 Ų | 81.3 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.1 | -30.3 | 179.7 | 62.1 | 172.6 | 0 | 0 | 0 | 112.7 | I18 E19 I24 F52 C55 N56 L57 | I18-I22 HydrophobicContact CG2-CG2 4.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.34Å; I18-I22 WeakPolarHBondContact O-CG2 3.29Å; I18-I22 PolarHBondContact O-N 3.22Å; E19-I22 WeakPolarHBondContact O-CG1 3.5Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.81Å; I22-F52 HydrophobicContact CD1-CD1 3.7Å; I22-F52 HydrophobicContact CD1-CE1 4.03Å; I22-C55 HydrophobicContact CD1-CB 3.98Å; I22-N56 WeakPolarHBondContact CB-OD1 3.39Å; I22-N56 PolarHBondContact O-ND2 2.85Å; I22-N56 PolarHBondContact O-OD1 3.09Å; I22-L57 HydrophobicContact CG2-CB 4Å; I22-L57 HydrophobicContact CG2-CD1 3.98Å; I22-L57 HydrophobicContact CG2-CG 4.43Å |
| 23 | N | 92.5 | Very high | 90.5 | Very high | 125 Ų | 125 | 79.8 Ų | 79.8 | 67% | 0.668 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -73.9 | -20.2 | 177.8 | -73.8 | -30.7 | 0 | 0 | 0 | 113 | E19 F21 | E19-N23 VanDerWaalsContact O-CG 3.3Å; E19-N23 PolarHBondContact O-N 3.12Å; E19-N23 PolarHBondContact O-ND2 3.46Å; F21-N23 PolarHBondContact O-N 3.39Å |
| 24 | I | 93.9 | Very high | 90.1 | Very high | 112 Ų | 112 | 76.6 Ų | 76.6 | 57% | 0.574 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -96.5 | -36.8 | -179.4 | -63.7 | 166.7 | 0 | 0 | 0 | 111.2 | K20 F21 I22 | K20-I24 HydrophobicContact CG-CD1 4.04Å; K20-I24 WeakPolarHBondContact O-CD1 3.2Å; K20-I24 WeakPolarHBondContact O-CG1 3.37Å; K20-I24 PolarHBondContact O-N 2.98Å; F21-I24 PolarHBondContact O-N 2.82Å; F21-I24 VanDerWaalsContact O-N 3.1Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 PolarHBondContact O-N 2.81Å |
| 25 | H | 90.6 | Very high | 89.3 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | trans | -111.5 | 130.8 | -170.1 | -62.3 | -75.6 | 0 | 0 | 0 | 112.3 | F21 N27 S28 N56 | F21-H25 AromaticContact CD2-CD2 3.36Å; F21-H25 WeakPolarHBondContact CD2-CD2 3.45Å; F21-H25 AromaticContact CD2-NE2 3.74Å; F21-H25 AromaticContact CE2-CD2 3.19Å; F21-H25 WeakPolarHBondContact CE2-CD2 3.3Å; F21-H25 AromaticContact CE2-NE2 3.44Å; F21-H25 WeakPolarHBondContact CE2-NE2 3.39Å; F21-H25 AromaticContact CG-CD2 3.92Å; F21-H25 HydrophobicContact CZ-CB 4.48Å; F21-H25 AromaticContact CZ-CD2 3.63Å; F21-H25 PolarHBondContact O-CD2 3.2Å; F21-H25 PolarHBondContact O-N 3.47Å; H25-N27 VanDerWaalsContact C-N 3.33Å; H25-N27 PolarHBondContact O-N 2.83Å; H25-S28 PolarHBondContact O-OG 3.39Å; H25-N56 PolarHBondContact O-ND2 2.86Å | ||
| 26 | Q | 85.8 | Confident | 88.2 | Confident | 174 Ų | 174 | 80 Ų | 80 | 81% | 0.813 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -69.4 | -27.6 | 177.9 | -69.1 | -174.4 | 2.7 | 0 | 0 | 114 | N56 | Q26-N56 WeakPolarHBondContact CA-ND2 3.34Å; Q26-N56 WeakPolarHBondContact O-CB 3.29Å; Q26-N56 PolarHBondContact O-ND2 2.83Å; Q26-N56 VanDerWaalsContact O-ND2 3.16Å |
| 27 | N | 88.6 | Confident | 87.3 | Confident | 84 Ų | 84 | 83.9 Ų | 83.9 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -125.1 | 102.3 | 177.4 | -79.4 | -63.7 | 0 | 0 | 0 | 108.4 | H25 F29 R58 | H25-N27 VanDerWaalsContact C-N 3.33Å; H25-N27 PolarHBondContact O-N 2.83Å; N27-F29 HydrophobicContact CB-CE2 4.28Å; N27-R58 PolarHBondContact OD1-NH1 2.72Å; N27-R58 PolarHBondContact OD1-NH2 3.3Å |
| 28 | S | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132 | -176.4 | -63.8 | 0 | 0 | 0 | 0 | 111 | F21 H25 N56 R58 | F21-S28 WeakPolarHBondContact CE1-OG 3.27Å; H25-S28 PolarHBondContact O-OG 3.39Å; S28-N56 WeakPolarHBondContact CB-O 3.43Å; S28-N56 PolarHBondContact N-O 3.28Å; S28-N56 VanDerWaalsContact N-O 3.09Å; S28-R58 PolarHBondContact O-N 3.16Å |
| 29 | F | 92.4 | Very high | 86.3 | Confident | 55 Ų | 55 | 83 Ų | 83 | 24% | 0.241 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.7 | 178.1 | -63.4 | -87.7 | 0 | 0 | 0 | 110 | N27 R58 L60 I75 | N27-F29 HydrophobicContact CB-CE2 4.28Å; F29-R58 CarbonylContact C-O 3.57Å; F29-R58 WeakPolarHBondContact CA-O 3.44Å; F29-R58 HydrophobicContact CD1-CB 3.78Å; F29-R58 HydrophobicContact CE1-CB 4.07Å; F29-R58 HydrophobicContact CE1-CG 4.39Å; F29-R58 VanDerWaalsContact CZ-NH1 3.34Å; F29-L60 HydrophobicContact CD1-CD1 3.61Å; F29-L60 HydrophobicContact CE1-CD1 4.27Å; F29-L60 HydrophobicContact CG-CD1 4.49Å; F29-I75 HydrophobicContact CB-CD1 4.2Å; F29-I75 HydrophobicContact CD1-CD1 3.84Å; F29-I75 HydrophobicContact CD1-CG1 4.33Å; F29-I75 HydrophobicContact CD2-CD1 4.3Å; F29-I75 HydrophobicContact CD2-CG2 3.89Å; F29-I75 HydrophobicContact CE1-CD1 4.19Å; F29-I75 HydrophobicContact CE1-CG1 4.18Å; F29-I75 HydrophobicContact CE2-CG2 3.57Å; F29-I75 HydrophobicContact CG-CD1 3.87Å; F29-I75 HydrophobicContact CZ-CG1 4.31Å; F29-I75 HydrophobicContact CZ-CG2 3.94Å |
| 30 | L | 92 | Very high | 85.8 | Confident | 39 Ų | 39 | 86 Ų | 86 | 20% | 0.204 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.8 | 171.5 | 178.6 | 65.7 | 0 | 0 | 0 | 108.5 | I18 L32 I48 L57 R58 I59 L60 | I18-L30 HydrophobicContact CD1-CD1 4.48Å; I18-L30 HydrophobicContact CD1-CD2 4.01Å; L30-L32 HydrophobicContact CG-CG 4.48Å; L30-I48 HydrophobicContact CD2-CD1 4.16Å; L30-I48 HydrophobicContact CD2-CG2 4.07Å; L30-L57 HydrophobicContact CB-CD1 3.97Å; L30-R58 PolarHBondContact N-O 3.5Å; L30-I59 HydrophobicContact CD2-CD1 4.48Å; L30-I59 HydrophobicContact CD2-CG1 4.44Å; L30-I59 HydrophobicContact CD2-CG2 4.41Å; L30-I59 WeakPolarHBondContact O-CA 3.41Å; L30-L60 PolarHBondContact O-N 3.45Å |
| 31 | V | 91.1 | Very high | 85.4 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 30% | 0.297 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 112.6 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | L60 V62 L71 | V31-L60 WeakPolarHBondContact CA-O 3.5Å; V31-V62 HydrophobicContact CG1-CB 4Å; V31-V62 HydrophobicContact CG1-CG2 3.51Å; V31-L71 HydrophobicContact CG1-CD2 4.3Å; V31-L71 HydrophobicContact CG2-CD2 4.06Å |
| 32 | L | 88.2 | Confident | 85.1 | Confident | 30 Ų | 30 | 83.6 Ų | 83.6 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117.2 | 175.9 | -78.5 | 167.4 | 0 | 0 | 0 | 108.9 | L30 L44 M45 I48 I59 L60 P61 V62 | L30-L32 HydrophobicContact CG-CG 4.48Å; L32-L44 HydrophobicContact CD2-CD2 4.24Å; L32-M45 HydrophobicContact CD1-CG 3.48Å; L32-M45 VanDerWaalsContact CD1-CG 3.48Å; L32-I48 HydrophobicContact CD1-CD1 4.28Å; L32-I48 HydrophobicContact CD2-CD1 4.38Å; L32-I59 HydrophobicContact CD1-CG2 3.31Å; L32-I59 HydrophobicContact CG-CG2 4.02Å; L32-L60 PolarHBondContact N-O 3.27Å; L32-P61 CarbonylContact O-C 3.4Å; L32-V62 PolarHBondContact O-N 2.97Å |
| 33 | S | 85.1 | Confident | 84.9 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.3 | 172.6 | -172 | 0 | 0 | 0 | 0 | 109.5 | V62 | S33-V62 VanDerWaalsContact CA-O 3.29Å; S33-V62 WeakPolarHBondContact CA-O 3.19Å |
| 34 | A | 79.6 | Confident | 84.5 | Confident | 23 Ų | 23 | 87.5 Ų | 87.5 | 19% | 0.19 | 46% | 0.462 | C | S | . | . | trans | -125.9 | 124.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L36 E41 V62 H63 | A34-L36 PolarHBondContact O-N 3.36Å; A34-E41 HydrophobicContact CB-CG 4.3Å; A34-V62 PolarHBondContact N-O 3.32Å; A34-H63 PolarHBondContact O-ND1 3.1Å | ||
| 35 | A | 69.1 | Low | 84.2 | Confident | 101 Ų | 101 | 82.7 Ų | 82.7 | 84% | 0.835 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -68.4 | -21.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 36 | L | 64 | Low | 84.1 | Confident | 145 Ų | 145 | 84.3 Ų | 84.3 | 76% | 0.759 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -130.2 | 134 | -179.1 | -80.6 | 151.9 | 0 | 0 | 0 | 109.4 | A34 | A34-L36 PolarHBondContact O-N 3.36Š|
| 37 | H | 71.8 | Confident | 84.2 | Confident | 136 Ų | 136 | 82 Ų | 82 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | trans | -72.9 | 129.4 | 170.4 | -64 | 62.3 | 0 | 0 | 0 | 107.6 | H63 | H37-H63 AromaticContact CD2-CD2 3.76Å; H37-H63 AromaticContact CD2-CE1 3.74Å; H37-H63 AromaticContact CD2-NE2 3.48Å; H37-H63 PolarHBondContact CD2-NE2 2.96Å; H37-H63 AromaticContact CE1-CD2 3.28Å; H37-H63 PolarHBondContact CE1-CD2 3.06Å; H37-H63 AromaticContact CE1-CE1 3.95Å; H37-H63 AromaticContact CE1-CG 3.2Å; H37-H63 AromaticContact CE1-ND1 3.66Å; H37-H63 AromaticContact CE1-NE2 3.78Å; H37-H63 AromaticContact CG-CE1 3.93Å; H37-H63 AromaticContact ND1-CG 3.77Å; H37-H63 AromaticContact ND1-ND1 3.77Å; H37-H63 AromaticContact NE2-CD2 3.04Å; H37-H63 PolarHBondContact NE2-CD2 3.47Å; H37-H63 AromaticContact NE2-CE1 3.8Å; H37-H63 AromaticContact NE2-CG 3.5Å; H37-H63 AromaticContact NE2-ND1 3.95Å; H37-H63 AromaticContact NE2-NE2 3.29Å; H37-H63 PolarHBondContact NE2-NE2 3.43Å | ||
| 38 | G | 79.8 | Confident | 84.2 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -175.5 | 169.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | E40 E41 W42 | G38-E40 PolarHBondContact O-N 2.87Å; G38-E41 WeakPolarHBondContact O-CB 3.31Å; G38-E41 PolarHBondContact O-N 3.04Å; G38-E41 VanDerWaalsContact O-N 3.12Å; G38-W42 PolarHBondContact O-N 3.41Å |
| 39 | P | 83.8 | Confident | 84 | Confident | 112 Ų | 112 | 83.1 Ų | 83.1 | 73% | 0.727 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.9 | -24.7 | 179.2 | 23.9 | -32.6 | 0 | 0 | 0 | 112.9 | K43 | P39-K43 VanDerWaalsContact O-CB 3.25Å; P39-K43 WeakPolarHBondContact O-CB 3.18Å; P39-K43 PolarHBondContact O-N 2.99Å |
| 40 | E | 83.1 | Confident | 83.9 | Confident | 164 Ų | 164 | 85.5 Ų | 85.5 | 77% | 0.766 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.7 | -38.9 | 175.5 | -64.7 | -161.4 | 155.4 | 0 | 0 | 112.8 | G38 K43 L44 | G38-E40 PolarHBondContact O-N 2.87Å; E40-K43 PolarHBondContact O-N 3.42Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.11Å |
| 41 | E | 84.7 | Confident | 83.8 | Confident | 19 Ų | 19 | 92 Ų | 92 | 9% | 0.089 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 174.5 | 177 | -178.8 | -153 | 0 | 0 | 110.5 | A34 G38 K43 L44 M45 P61 H63 | A34-E41 HydrophobicContact CB-CG 4.3Å; G38-E41 WeakPolarHBondContact O-CB 3.31Å; G38-E41 PolarHBondContact O-N 3.04Å; G38-E41 VanDerWaalsContact O-N 3.12Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.21Å; E41-L44 PolarHBondContact O-N 2.96Å; E41-M45 HydrophobicContact CG-SD 4.25Å; E41-M45 WeakPolarHBondContact O-CB 3.36Å; E41-M45 WeakPolarHBondContact O-CG 3.46Å; E41-M45 PolarHBondContact O-N 3.5Å; E41-P61 WeakPolarHBondContact OE1-CB 3.44Å; E41-H63 IonicContact OE1-CE1 3.19Å; E41-H63 PolarHBondContact OE1-CE1 3.36Å; E41-H63 IonicContact OE1-ND1 3.96Å; E41-H63 IonicContact OE2-CE1 3.32Å; E41-H63 PolarHBondContact OE2-CE1 3.38Å; E41-H63 VanDerWaalsContact OE2-CE1 3.32Å |
| 42 | W | 86 | Confident | 83.7 | Confident | 168 Ų | 168 | 90.6 Ų | 90.6 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.5 | -40.7 | 176.2 | -68.8 | 104.6 | 0 | 0 | 0 | 112 | G38 M45 F46 | G38-W42 PolarHBondContact O-N 3.41Å; W42-M45 PolarHBondContact O-N 3.47Å; W42-F46 WeakPolarHBondContact O-CB 3.04Å; W42-F46 PolarHBondContact O-N 3.22Å |
| 43 | K | 87.8 | Confident | 83.7 | Confident | 151 Ų | 151 | 95.2 Ų | 95.2 | 66% | 0.657 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 176.7 | -172.2 | 178.8 | -178.8 | -178 | 0 | 111.5 | P39 E40 E41 R47 | P39-K43 VanDerWaalsContact O-CB 3.25Å; P39-K43 WeakPolarHBondContact O-CB 3.18Å; P39-K43 PolarHBondContact O-N 2.99Å; E40-K43 PolarHBondContact O-N 3.42Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.21Å; K43-R47 WeakPolarHBondContact O-CG 3.5Å; K43-R47 PolarHBondContact O-N 2.89Å |
| 44 | L | 85.3 | Confident | 83.7 | Confident | 69 Ų | 69 | 94.4 Ų | 94.4 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -48.5 | 175.6 | 179.3 | 61.9 | 0 | 0 | 0 | 111.4 | L32 E40 E41 F46 R47 I48 | L32-L44 HydrophobicContact CD2-CD2 4.24Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.11Å; E41-L44 PolarHBondContact O-N 2.96Å; L44-F46 VanDerWaalsContact C-N 3.3Å; L44-F46 PolarHBondContact O-N 3.19Å; L44-R47 WeakPolarHBondContact O-CB 3.43Å; L44-R47 PolarHBondContact O-N 2.77Å; L44-I48 HydrophobicContact CD1-CD1 4.01Å; L44-I48 HydrophobicContact CD1-CG1 4.31Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 3.47Å |
| 45 | M | 86.9 | Confident | 84.2 | Confident | 11 Ų | 11 | 95.9 Ų | 95.9 | 5% | 0.054 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -55.5 | -47.5 | 175.3 | -77.5 | -177.4 | 68.8 | 0 | 0 | 111.1 | L32 E41 W42 R47 I48 Q49 I59 P61 | L32-M45 HydrophobicContact CD1-CG 3.48Å; L32-M45 VanDerWaalsContact CD1-CG 3.48Å; E41-M45 HydrophobicContact CG-SD 4.25Å; E41-M45 WeakPolarHBondContact O-CB 3.36Å; E41-M45 WeakPolarHBondContact O-CG 3.46Å; E41-M45 PolarHBondContact O-N 3.5Å; W42-M45 PolarHBondContact O-N 3.47Å; M45-R47 PolarHBondContact O-N 3Å; M45-I48 PolarHBondContact O-N 3.32Å; M45-Q49 WeakPolarHBondContact O-CB 3.43Å; M45-Q49 VanDerWaalsContact O-CG 3.3Å; M45-Q49 WeakPolarHBondContact O-CG 3.47Å; M45-Q49 PolarHBondContact O-N 2.94Å; M45-I59 HydrophobicContact CE-CB 4.42Å; M45-I59 HydrophobicContact CE-CG2 4.11Å; M45-I59 HydrophobicContact CG-CG2 4.13Å; M45-P61 HydrophobicContact CE-CG 4.19Å; M45-P61 HydrophobicContact SD-CB 3.97Å; M45-P61 HydrophobicContact SD-CG 4.07Å |
| 46 | F | 88.1 | Confident | 85.2 | Confident | 117 Ų | 117 | 94 Ų | 94 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.7 | -177.7 | -100 | 0 | 0 | 0 | 111.6 | W42 L44 I48 Q49 Q50 | W42-F46 WeakPolarHBondContact O-CB 3.04Å; W42-F46 PolarHBondContact O-N 3.22Å; L44-F46 VanDerWaalsContact C-N 3.3Å; L44-F46 PolarHBondContact O-N 3.19Å; F46-I48 VanDerWaalsContact C-N 3.34Å; F46-I48 PolarHBondContact O-N 3.25Å; F46-Q49 PolarHBondContact O-N 3.48Å; F46-Q50 HydrophobicContact CD1-CG 3.97Å; F46-Q50 HydrophobicContact CD2-CG 4.32Å; F46-Q50 HydrophobicContact CE1-CG 3.6Å; F46-Q50 HydrophobicContact CE2-CG 3.99Å; F46-Q50 HydrophobicContact CG-CG 4.32Å; F46-Q50 HydrophobicContact CZ-CG 3.61Å; F46-Q50 WeakPolarHBondContact O-CB 3.11Å; F46-Q50 VanDerWaalsContact O-CG 3.22Å; F46-Q50 WeakPolarHBondContact O-CG 3.48Å; F46-Q50 PolarHBondContact O-N 3.34Å |
| 47 | R | 88.9 | Confident | 86.6 | Confident | 125 Ų | 125 | 88.4 Ų | 88.4 | 47% | 0.472 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 175 | -79.6 | 178 | 67.2 | -150.4 | 0.3 | 111.9 | E11 K43 L44 M45 R51 | E11-R47 IonicContact OE1-CZ 3.89Å; E11-R47 IonicContact OE1-NH1 3.03Å; E11-R47 PolarHBondContact OE1-NH1 2.91Å; E11-R47 IonicContact OE1-NH2 3.76Å; E11-R47 IonicContact OE2-CZ 3.65Å; E11-R47 IonicContact OE2-NH1 3.51Å; E11-R47 IonicContact OE2-NH2 2.81Å; E11-R47 PolarHBondContact OE2-NH2 2.95Å; K43-R47 WeakPolarHBondContact O-CG 3.5Å; K43-R47 PolarHBondContact O-N 2.89Å; L44-R47 WeakPolarHBondContact O-CB 3.43Å; L44-R47 PolarHBondContact O-N 2.77Å; M45-R47 PolarHBondContact O-N 3Å; R47-R51 WeakPolarHBondContact O-CB 3.44Å; R47-R51 PolarHBondContact O-N 2.98Å; R47-R51 VanDerWaalsContact O-N 3.08Å |
| 48 | I | 88.4 | Confident | 87.5 | Confident | 16 Ų | 16 | 87.7 Ų | 87.7 | 8% | 0.082 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.1 | -43.4 | -179.4 | -59.9 | 166.2 | 0 | 0 | 0 | 110.2 | L30 L32 L44 M45 F46 Q50 R51 F52 L57 I59 | L30-I48 HydrophobicContact CD2-CD1 4.16Å; L30-I48 HydrophobicContact CD2-CG2 4.07Å; L32-I48 HydrophobicContact CD1-CD1 4.28Å; L32-I48 HydrophobicContact CD2-CD1 4.38Å; L44-I48 HydrophobicContact CD1-CD1 4.01Å; L44-I48 HydrophobicContact CD1-CG1 4.31Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 3.47Å; M45-I48 PolarHBondContact O-N 3.32Å; F46-I48 VanDerWaalsContact C-N 3.34Å; F46-I48 PolarHBondContact O-N 3.25Å; I48-Q50 PolarHBondContact O-N 3.43Å; I48-R51 PolarHBondContact O-N 3.41Å; I48-F52 HydrophobicContact CG2-CD2 3.71Å; I48-F52 HydrophobicContact CG2-CE2 4.02Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.32Å; I48-F52 PolarHBondContact O-N 3.26Å; I48-L57 HydrophobicContact CG2-CD2 4.24Å; I48-I59 HydrophobicContact CB-CD1 3.61Å; I48-I59 HydrophobicContact CG2-CD1 3.37Å; I48-I59 HydrophobicContact CG2-CG1 4.49Å |
| 49 | Q | 88.4 | Confident | 88 | Confident | 92 Ų | 92 | 87.5 Ų | 87.5 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.7 | -76.3 | 177.5 | -25.5 | 0 | 0 | 112.4 | M45 F46 R51 F52 L53 I59 | M45-Q49 WeakPolarHBondContact O-CB 3.43Å; M45-Q49 VanDerWaalsContact O-CG 3.3Å; M45-Q49 WeakPolarHBondContact O-CG 3.47Å; M45-Q49 PolarHBondContact O-N 2.94Å; F46-Q49 PolarHBondContact O-N 3.48Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.03Å; Q49-F52 CarbonylContact O-C 3.57Å; Q49-F52 PolarHBondContact O-N 3.07Å; Q49-L53 VanDerWaalsContact O-CA 3.29Å; Q49-L53 WeakPolarHBondContact O-CA 3.38Å; Q49-L53 WeakPolarHBondContact O-CB 3.12Å; Q49-L53 PolarHBondContact O-N 3.38Å; Q49-I59 HydrophobicContact CG-CD1 3.65Å; Q49-I59 HydrophobicContact CG-CG1 4.33Å |
| 50 | Q | 90.7 | Very high | 88.3 | Confident | 105 Ų | 105 | 84.4 Ų | 84.4 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 175.7 | -73 | -65.7 | -41 | 0 | 0 | 111.5 | F46 I48 | F46-Q50 HydrophobicContact CD1-CG 3.97Å; F46-Q50 HydrophobicContact CD2-CG 4.32Å; F46-Q50 HydrophobicContact CE1-CG 3.6Å; F46-Q50 HydrophobicContact CE2-CG 3.99Å; F46-Q50 HydrophobicContact CG-CG 4.32Å; F46-Q50 HydrophobicContact CZ-CG 3.61Å; F46-Q50 WeakPolarHBondContact O-CB 3.11Å; F46-Q50 VanDerWaalsContact O-CG 3.22Å; F46-Q50 WeakPolarHBondContact O-CG 3.48Å; F46-Q50 PolarHBondContact O-N 3.34Å; I48-Q50 PolarHBondContact O-N 3.43Å |
| 51 | R | 89.3 | Confident | 88.6 | Confident | 176 Ų | 176 | 79 Ų | 79 | 66% | 0.664 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.1 | -38 | 179 | -175.9 | 58 | 174.4 | 157.1 | 1.6 | 112.9 | R47 I48 Q49 | R47-R51 WeakPolarHBondContact O-CB 3.44Å; R47-R51 PolarHBondContact O-N 2.98Å; R47-R51 VanDerWaalsContact O-N 3.08Å; I48-R51 PolarHBondContact O-N 3.41Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.03Å |
| 52 | F | 88.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 78.3 Ų | 78.3 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 32.9 | -178.3 | -60.5 | -72.2 | 0 | 0 | 0 | 112 | L15 I18 E19 I22 I48 Q49 G54 C55 L57 | L15-F52 HydrophobicContact CD2-CE2 3.66Å; L15-F52 HydrophobicContact CD2-CZ 3.98Å; I18-F52 HydrophobicContact CB-CE2 4.16Å; I18-F52 HydrophobicContact CB-CZ 3.9Å; I18-F52 HydrophobicContact CD1-CE2 4.37Å; I18-F52 HydrophobicContact CG2-CD1 4.46Å; I18-F52 HydrophobicContact CG2-CD2 4.08Å; I18-F52 HydrophobicContact CG2-CE1 4.01Å; I18-F52 HydrophobicContact CG2-CE2 3.59Å; I18-F52 HydrophobicContact CG2-CG 4.49Å; I18-F52 HydrophobicContact CG2-CZ 3.55Å; E19-F52 HydrophobicContact CB-CE1 4.26Å; I22-F52 HydrophobicContact CD1-CD1 3.7Å; I22-F52 HydrophobicContact CD1-CE1 4.03Å; I48-F52 HydrophobicContact CG2-CD2 3.71Å; I48-F52 HydrophobicContact CG2-CE2 4.02Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.32Å; I48-F52 PolarHBondContact O-N 3.26Å; Q49-F52 CarbonylContact O-C 3.57Å; Q49-F52 PolarHBondContact O-N 3.07Å; F52-G54 PolarHBondContact O-N 3.29Å; F52-C55 HydrophobicContact CB-CB 4.07Å; F52-C55 VanDerWaalsContact O-CB 3.27Å; F52-C55 WeakPolarHBondContact O-CB 3.4Å; F52-C55 PolarHBondContact O-N 3.3Å; F52-L57 HydrophobicContact CB-CD2 3.99Å; F52-L57 HydrophobicContact CD2-CD2 3.78Å; F52-L57 HydrophobicContact CE2-CD2 4.49Å; F52-L57 HydrophobicContact CG-CD2 3.96Å |
| 53 | L | 87.8 | Confident | 89.1 | Confident | 128 Ų | 128 | 72.7 Ų | 72.7 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 127.8 | -178.2 | -162.1 | 103.4 | 0 | 0 | 0 | 109.6 | Q49 C55 | Q49-L53 VanDerWaalsContact O-CA 3.29Å; Q49-L53 WeakPolarHBondContact O-CA 3.38Å; Q49-L53 WeakPolarHBondContact O-CB 3.12Å; Q49-L53 PolarHBondContact O-N 3.38Å; L53-C55 PolarHBondContact O-N 3.49Å |
| 54 | G | 85.6 | Confident | 89.2 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 89% | 0.887 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -4.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F52 | F52-G54 PolarHBondContact O-N 3.29Š|
| 55 | C | 90 | Very high | 89.5 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 37% | 0.372 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -76.2 | 161.8 | 168.3 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | I22 F52 L53 L57 | I22-C55 HydrophobicContact CD1-CB 3.98Å; F52-C55 HydrophobicContact CB-CB 4.07Å; F52-C55 VanDerWaalsContact O-CB 3.27Å; F52-C55 WeakPolarHBondContact O-CB 3.4Å; F52-C55 PolarHBondContact O-N 3.3Å; L53-C55 PolarHBondContact O-N 3.49Å; C55-L57 PolarHBondContact O-N 3.04Å |
| 56 | N | 90.8 | Very high | 89.8 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -78.4 | 32.2 | 178 | 61.5 | -0.7 | 0 | 0 | 0 | 113.9 | I22 H25 Q26 S28 | I22-N56 WeakPolarHBondContact CB-OD1 3.39Å; I22-N56 PolarHBondContact O-ND2 2.85Å; I22-N56 PolarHBondContact O-OD1 3.09Å; H25-N56 PolarHBondContact O-ND2 2.86Å; Q26-N56 WeakPolarHBondContact CA-ND2 3.34Å; Q26-N56 WeakPolarHBondContact O-CB 3.29Å; Q26-N56 PolarHBondContact O-ND2 2.83Å; Q26-N56 VanDerWaalsContact O-ND2 3.16Å; S28-N56 WeakPolarHBondContact CB-O 3.43Å; S28-N56 PolarHBondContact N-O 3.28Å; S28-N56 VanDerWaalsContact N-O 3.09Å |
| 57 | L | 92 | Very high | 89.9 | Confident | 26 Ų | 26 | 72.3 Ų | 72.3 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.1 | -178.4 | -173.2 | 65 | 0 | 0 | 0 | 111.1 | I18 I22 L30 I48 F52 C55 I59 | I18-L57 HydrophobicContact CG2-CD1 4.34Å; I18-L57 HydrophobicContact CG2-CD2 3.63Å; I22-L57 HydrophobicContact CG2-CB 4Å; I22-L57 HydrophobicContact CG2-CD1 3.98Å; I22-L57 HydrophobicContact CG2-CG 4.43Å; L30-L57 HydrophobicContact CB-CD1 3.97Å; I48-L57 HydrophobicContact CG2-CD2 4.24Å; F52-L57 HydrophobicContact CB-CD2 3.99Å; F52-L57 HydrophobicContact CD2-CD2 3.78Å; F52-L57 HydrophobicContact CE2-CD2 4.49Å; F52-L57 HydrophobicContact CG-CD2 3.96Å; C55-L57 PolarHBondContact O-N 3.04Å; L57-I59 HydrophobicContact CD2-CG1 4.42Å; L57-I59 HydrophobicContact CG-CG1 4.36Å |
| 58 | R | 91.6 | Very high | 90.1 | Very high | 121 Ų | 121 | 67.1 Ų | 67.1 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.3 | 172.5 | -62.7 | -179.5 | -171.4 | 114.3 | 3 | 109.4 | N27 S28 F29 L30 | N27-R58 PolarHBondContact OD1-NH1 2.72Å; N27-R58 PolarHBondContact OD1-NH2 3.3Å; S28-R58 PolarHBondContact O-N 3.16Å; F29-R58 CarbonylContact C-O 3.57Å; F29-R58 WeakPolarHBondContact CA-O 3.44Å; F29-R58 HydrophobicContact CD1-CB 3.78Å; F29-R58 HydrophobicContact CE1-CB 4.07Å; F29-R58 HydrophobicContact CE1-CG 4.39Å; F29-R58 VanDerWaalsContact CZ-NH1 3.34Å; L30-R58 PolarHBondContact N-O 3.5Å |
| 59 | I | 90.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.087 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.6 | -180 | -48.4 | -173.5 | 0 | 0 | 0 | 109.1 | L30 L32 M45 I48 Q49 L57 | L30-I59 HydrophobicContact CD2-CD1 4.48Å; L30-I59 HydrophobicContact CD2-CG1 4.44Å; L30-I59 HydrophobicContact CD2-CG2 4.41Å; L30-I59 WeakPolarHBondContact O-CA 3.41Å; L32-I59 HydrophobicContact CD1-CG2 3.31Å; L32-I59 HydrophobicContact CG-CG2 4.02Å; M45-I59 HydrophobicContact CE-CB 4.42Å; M45-I59 HydrophobicContact CE-CG2 4.11Å; M45-I59 HydrophobicContact CG-CG2 4.13Å; I48-I59 HydrophobicContact CB-CD1 3.61Å; I48-I59 HydrophobicContact CG2-CD1 3.37Å; I48-I59 HydrophobicContact CG2-CG1 4.49Å; Q49-I59 HydrophobicContact CG-CD1 3.65Å; Q49-I59 HydrophobicContact CG-CG1 4.33Å; L57-I59 HydrophobicContact CD2-CG1 4.42Å; L57-I59 HydrophobicContact CG-CG1 4.36Å |
| 60 | L | 90.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 70.5 Ų | 70.5 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 114.6 | -175.2 | -65.2 | 164.5 | 0 | 0 | 0 | 109.6 | F29 L30 V31 L32 L71 I75 | F29-L60 HydrophobicContact CD1-CD1 3.61Å; F29-L60 HydrophobicContact CE1-CD1 4.27Å; F29-L60 HydrophobicContact CG-CD1 4.49Å; L30-L60 PolarHBondContact O-N 3.45Å; V31-L60 WeakPolarHBondContact CA-O 3.5Å; L32-L60 PolarHBondContact N-O 3.27Å; L60-L71 HydrophobicContact CB-CD2 3.65Å; L60-L71 HydrophobicContact CD1-CD1 3.98Å; L60-L71 HydrophobicContact CD1-CD2 3.87Å; L60-L71 HydrophobicContact CD1-CG 4.16Å; L60-L71 HydrophobicContact CG-CD2 4.32Å; L60-I75 HydrophobicContact CD1-CD1 3.89Å |
| 61 | P | 89.9 | Confident | 90.9 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.2 | 175.6 | 30.5 | -32.2 | 0 | 0 | 0 | 110.6 | L32 E41 M45 | L32-P61 CarbonylContact O-C 3.4Å; E41-P61 WeakPolarHBondContact OE1-CB 3.44Å; M45-P61 HydrophobicContact CE-CG 4.19Å; M45-P61 HydrophobicContact SD-CB 3.97Å; M45-P61 HydrophobicContact SD-CG 4.07Å |
| 62 | V | 90.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.3 | 178.8 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | V31 L32 S33 A34 N64 N67 A68 L71 | V31-V62 HydrophobicContact CG1-CB 4Å; V31-V62 HydrophobicContact CG1-CG2 3.51Å; L32-V62 PolarHBondContact O-N 2.97Å; S33-V62 VanDerWaalsContact CA-O 3.29Å; S33-V62 WeakPolarHBondContact CA-O 3.19Å; A34-V62 PolarHBondContact N-O 3.32Å; V62-N64 WeakPolarHBondContact CG1-O 3.36Å; V62-N67 HydrophobicContact CG1-CB 3.87Å; V62-A68 HydrophobicContact CG1-CB 3.76Å; V62-A68 VanDerWaalsContact CG1-N 3.34Å; V62-L71 HydrophobicContact CG2-CD2 3.55Å |
| 63 | H | 89.9 | Confident | 91.4 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -115.1 | -6.4 | -173.6 | -52.1 | -63.9 | 0 | 0 | 0 | 114.1 | A34 H37 E41 | A34-H63 PolarHBondContact O-ND1 3.1Å; H37-H63 AromaticContact CD2-CD2 3.76Å; H37-H63 AromaticContact CD2-CE1 3.74Å; H37-H63 AromaticContact CD2-NE2 3.48Å; H37-H63 PolarHBondContact CD2-NE2 2.96Å; H37-H63 AromaticContact CE1-CD2 3.28Å; H37-H63 PolarHBondContact CE1-CD2 3.06Å; H37-H63 AromaticContact CE1-CE1 3.95Å; H37-H63 AromaticContact CE1-CG 3.2Å; H37-H63 AromaticContact CE1-ND1 3.66Å; H37-H63 AromaticContact CE1-NE2 3.78Å; H37-H63 AromaticContact CG-CE1 3.93Å; H37-H63 AromaticContact ND1-CG 3.77Å; H37-H63 AromaticContact ND1-ND1 3.77Å; H37-H63 AromaticContact NE2-CD2 3.04Å; H37-H63 PolarHBondContact NE2-CD2 3.47Å; H37-H63 AromaticContact NE2-CE1 3.8Å; H37-H63 AromaticContact NE2-CG 3.5Å; H37-H63 AromaticContact NE2-ND1 3.95Å; H37-H63 AromaticContact NE2-NE2 3.29Å; H37-H63 PolarHBondContact NE2-NE2 3.43Å; E41-H63 IonicContact OE1-CE1 3.19Å; E41-H63 PolarHBondContact OE1-CE1 3.36Å; E41-H63 IonicContact OE1-ND1 3.96Å; E41-H63 IonicContact OE2-CE1 3.32Å; E41-H63 PolarHBondContact OE2-CE1 3.38Å; E41-H63 VanDerWaalsContact OE2-CE1 3.32Å |
| 64 | N | 89.1 | Confident | 91.7 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -155.3 | 160.7 | 174.6 | 68.6 | 61.7 | 0 | 0 | 0 | 110.8 | V62 V66 N67 A68 | V62-N64 WeakPolarHBondContact CG1-O 3.36Å; N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 PolarHBondContact O-N 3.49Å; N64-V66 WeakPolarHBondContact OD1-CA 3.39Å; N64-V66 WeakPolarHBondContact OD1-CB 3.44Å; N64-V66 PolarHBondContact OD1-N 3.09Å; N64-N67 PolarHBondContact ND2-ND2 3.26Å; N64-N67 PolarHBondContact ND2-OD1 3.34Å; N64-N67 PolarHBondContact O-N 3.02Å; N64-N67 WeakPolarHBondContact OD1-CB 3.39Å; N64-N67 VanDerWaalsContact OD1-CG 3.3Å; N64-N67 PolarHBondContact OD1-N 3.03Å; N64-N67 PolarHBondContact OD1-OD1 2.94Å; N64-A68 PolarHBondContact O-N 2.93Å |
| 65 | T | 91.7 | Very high | 92 | Very high | 105 Ų | 105 | 61 Ų | 61 | 64% | 0.644 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.4 | -35 | -177.5 | -47.9 | 0 | 0 | 0 | 0 | 112.7 | A68 I69 | T65-A68 WeakPolarHBondContact O-CB 3.17Å; T65-A68 PolarHBondContact O-N 3.21Å; T65-I69 HydrophobicContact CG2-CD1 4.05Å; T65-I69 VanDerWaalsContact O-CG1 3.3Å; T65-I69 WeakPolarHBondContact O-CG1 3.3Å; T65-I69 PolarHBondContact O-N 2.72Å |
| 66 | V | 93.4 | Very high | 92.1 | Very high | 92 Ų | 92 | 61.3 Ų | 61.3 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65 | -43 | 179 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | N64 A68 I69 N70 | N64-V66 VanDerWaalsContact C-N 3.29Å; N64-V66 PolarHBondContact O-N 3.49Å; N64-V66 WeakPolarHBondContact OD1-CA 3.39Å; N64-V66 WeakPolarHBondContact OD1-CB 3.44Å; N64-V66 PolarHBondContact OD1-N 3.09Å; V66-A68 VanDerWaalsContact C-N 3.32Å; V66-A68 PolarHBondContact O-N 3.3Å; V66-I69 PolarHBondContact O-N 3.2Å; V66-N70 WeakPolarHBondContact O-CB 3.35Å; V66-N70 VanDerWaalsContact O-CG 3.25Å; V66-N70 PolarHBondContact O-N 2.73Å; V66-N70 PolarHBondContact O-ND2 3.34Å |
| 67 | N | 91.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 65.2 Ų | 65.2 | 39% | 0.39 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 174.3 | -72.3 | 3 | 0 | 0 | 0 | 110.5 | V62 N64 N70 L71 | V62-N67 HydrophobicContact CG1-CB 3.87Å; N64-N67 PolarHBondContact ND2-ND2 3.26Å; N64-N67 PolarHBondContact ND2-OD1 3.34Å; N64-N67 PolarHBondContact O-N 3.02Å; N64-N67 WeakPolarHBondContact OD1-CB 3.39Å; N64-N67 VanDerWaalsContact OD1-CG 3.3Å; N64-N67 PolarHBondContact OD1-N 3.03Å; N64-N67 PolarHBondContact OD1-OD1 2.94Å; N67-N70 PolarHBondContact O-N 2.88Å; N67-L71 WeakPolarHBondContact O-CB 3.34Å; N67-L71 PolarHBondContact O-N 3.49Å |
| 68 | A | 92.9 | Very high | 92 | Very high | 16 Ų | 16 | 66.7 Ų | 66.7 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V62 N64 T65 V66 L71 M72 | V62-A68 HydrophobicContact CG1-CB 3.76Å; V62-A68 VanDerWaalsContact CG1-N 3.34Å; N64-A68 PolarHBondContact O-N 2.93Å; T65-A68 WeakPolarHBondContact O-CB 3.17Å; T65-A68 PolarHBondContact O-N 3.21Å; V66-A68 VanDerWaalsContact C-N 3.32Å; V66-A68 PolarHBondContact O-N 3.3Å; A68-L71 WeakPolarHBondContact O-CB 3.27Å; A68-L71 PolarHBondContact O-N 3.32Å; A68-M72 VanDerWaalsContact O-CG 3.27Å; A68-M72 WeakPolarHBondContact O-CG 3.36Å; A68-M72 PolarHBondContact O-N 3.33Å |
| 69 | I | 94.3 | Very high | 91.7 | Very high | 90 Ų | 90 | 64.6 Ų | 64.6 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | -179.8 | -66.6 | 164.3 | 0 | 0 | 0 | 110.3 | T65 V66 L71 M72 C73 | T65-I69 HydrophobicContact CG2-CD1 4.05Å; T65-I69 VanDerWaalsContact O-CG1 3.3Å; T65-I69 WeakPolarHBondContact O-CG1 3.3Å; T65-I69 PolarHBondContact O-N 2.72Å; V66-I69 PolarHBondContact O-N 3.2Å; I69-L71 VanDerWaalsContact C-N 3.27Å; I69-L71 PolarHBondContact O-N 3.33Å; I69-M72 PolarHBondContact O-N 2.77Å; I69-C73 WeakPolarHBondContact O-CB 3.26Å; I69-C73 PolarHBondContact O-N 2.87Å; I69-C73 PolarHBondContact O-SG 2.93Å; I69-C73 VanDerWaalsContact O-SG 3.36Å |
| 70 | N | 95.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 65.6 Ų | 65.6 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 177.8 | -75.5 | -23.2 | 0 | 0 | 0 | 111.6 | V66 N67 C73 T74 | V66-N70 WeakPolarHBondContact O-CB 3.35Å; V66-N70 VanDerWaalsContact O-CG 3.25Å; V66-N70 PolarHBondContact O-N 2.73Å; V66-N70 PolarHBondContact O-ND2 3.34Å; N67-N70 PolarHBondContact O-N 2.88Å; N70-C73 PolarHBondContact O-N 2.87Å; N70-T74 VanDerWaalsContact O-CB 3.32Å; N70-T74 WeakPolarHBondContact O-CB 3.46Å; N70-T74 PolarHBondContact O-N 3.46Å; N70-T74 PolarHBondContact O-OG1 2.9Å |
| 71 | L | 94.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 70.9 Ų | 70.9 | 20% | 0.204 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 176.4 | -175.9 | 65.2 | 0 | 0 | 0 | 111.4 | V31 L60 V62 N67 A68 I69 C73 T74 I75 | V31-L71 HydrophobicContact CG1-CD2 4.3Å; V31-L71 HydrophobicContact CG2-CD2 4.06Å; L60-L71 HydrophobicContact CB-CD2 3.65Å; L60-L71 HydrophobicContact CD1-CD1 3.98Å; L60-L71 HydrophobicContact CD1-CD2 3.87Å; L60-L71 HydrophobicContact CD1-CG 4.16Å; L60-L71 HydrophobicContact CG-CD2 4.32Å; V62-L71 HydrophobicContact CG2-CD2 3.55Å; N67-L71 WeakPolarHBondContact O-CB 3.34Å; N67-L71 PolarHBondContact O-N 3.49Å; A68-L71 WeakPolarHBondContact O-CB 3.27Å; A68-L71 PolarHBondContact O-N 3.32Å; I69-L71 VanDerWaalsContact C-N 3.27Å; I69-L71 PolarHBondContact O-N 3.33Å; L71-C73 PolarHBondContact O-N 2.87Å; L71-T74 WeakPolarHBondContact O-CB 3.2Å; L71-T74 PolarHBondContact O-N 3.36Å; L71-T74 VanDerWaalsContact O-N 3.12Å; L71-I75 HydrophobicContact CG-CD1 4.1Å; L71-I75 WeakPolarHBondContact O-CG1 3.32Å; L71-I75 PolarHBondContact O-N 2.91Å |
| 72 | M | 94.3 | Very high | 91 | Very high | 109 Ų | 109 | 73 Ų | 73 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 176.8 | -69.2 | 176.4 | -167.6 | 0 | 0 | 111.6 | A68 I69 T74 I75 A76 | A68-M72 VanDerWaalsContact O-CG 3.27Å; A68-M72 WeakPolarHBondContact O-CG 3.36Å; A68-M72 PolarHBondContact O-N 3.33Å; I69-M72 PolarHBondContact O-N 2.77Å; M72-T74 VanDerWaalsContact C-N 3.29Å; M72-T74 PolarHBondContact O-N 2.87Å; M72-I75 PolarHBondContact O-N 3.45Å; M72-A76 WeakPolarHBondContact O-CB 3.32Å; M72-A76 PolarHBondContact O-N 3.05Å |
| 73 | C | 94.7 | Very high | 90.7 | Very high | 60 Ų | 60 | 78.1 Ų | 78.1 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 175.3 | -71.1 | 0 | 0 | 0 | 0 | 112 | I69 N70 L71 K77 | I69-C73 WeakPolarHBondContact O-CB 3.26Å; I69-C73 PolarHBondContact O-N 2.87Å; I69-C73 PolarHBondContact O-SG 2.93Å; I69-C73 VanDerWaalsContact O-SG 3.36Å; N70-C73 PolarHBondContact O-N 2.87Å; L71-C73 PolarHBondContact O-N 2.87Å; C73-K77 VanDerWaalsContact O-CB 3.32Å; C73-K77 WeakPolarHBondContact O-CB 3.37Å; C73-K77 WeakPolarHBondContact O-CG 3.49Å; C73-K77 PolarHBondContact O-N 3.4Å |
| 74 | T | 93.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 79.3 Ų | 79.3 | 47% | 0.466 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | N70 L71 M72 K77 T78 | N70-T74 VanDerWaalsContact O-CB 3.32Å; N70-T74 WeakPolarHBondContact O-CB 3.46Å; N70-T74 PolarHBondContact O-N 3.46Å; N70-T74 PolarHBondContact O-OG1 2.9Å; L71-T74 WeakPolarHBondContact O-CB 3.2Å; L71-T74 PolarHBondContact O-N 3.36Å; L71-T74 VanDerWaalsContact O-N 3.12Å; M72-T74 VanDerWaalsContact C-N 3.29Å; M72-T74 PolarHBondContact O-N 2.87Å; T74-K77 PolarHBondContact O-N 3.41Å; T74-T78 HydrophobicContact CG2-CG2 4.24Å; T74-T78 WeakPolarHBondContact O-CB 3.42Å; T74-T78 VanDerWaalsContact O-CG2 3.26Å; T74-T78 WeakPolarHBondContact O-CG2 3.44Å; T74-T78 PolarHBondContact O-N 3.12Å; T74-T78 PolarHBondContact O-OG1 2.87Å |
| 75 | I | 92.6 | Very high | 90.6 | Very high | 30 Ų | 30 | 80.1 Ų | 80.1 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.9 | -54.4 | 173.3 | -67.7 | 165 | 0 | 0 | 0 | 109 | F29 L60 L71 M72 K77 T78 T79 | F29-I75 HydrophobicContact CB-CD1 4.2Å; F29-I75 HydrophobicContact CD1-CD1 3.84Å; F29-I75 HydrophobicContact CD1-CG1 4.33Å; F29-I75 HydrophobicContact CD2-CD1 4.3Å; F29-I75 HydrophobicContact CD2-CG2 3.89Å; F29-I75 HydrophobicContact CE1-CD1 4.19Å; F29-I75 HydrophobicContact CE1-CG1 4.18Å; F29-I75 HydrophobicContact CE2-CG2 3.57Å; F29-I75 HydrophobicContact CG-CD1 3.87Å; F29-I75 HydrophobicContact CZ-CG1 4.31Å; F29-I75 HydrophobicContact CZ-CG2 3.94Å; L60-I75 HydrophobicContact CD1-CD1 3.89Å; L71-I75 HydrophobicContact CG-CD1 4.1Å; L71-I75 WeakPolarHBondContact O-CG1 3.32Å; L71-I75 PolarHBondContact O-N 2.91Å; M72-I75 PolarHBondContact O-N 3.45Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 2.86Å; I75-T78 PolarHBondContact O-N 3.36Å; I75-T78 PolarHBondContact O-OG1 3.4Å; I75-T78 VanDerWaalsContact O-OG1 3.05Å; I75-T79 HydrophobicContact CG2-CG2 4.23Å; I75-T79 WeakPolarHBondContact O-CB 3.4Å; I75-T79 WeakPolarHBondContact O-CG2 3.46Å; I75-T79 PolarHBondContact O-N 2.85Å; I75-T79 PolarHBondContact O-OG1 3.27Å |
| 76 | A | 92 | Very high | 90.6 | Very high | 61 Ų | 61 | 78 Ų | 78 | 50% | 0.504 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.2 | -44 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M72 T79 S80 | M72-A76 WeakPolarHBondContact O-CB 3.32Å; M72-A76 PolarHBondContact O-N 3.05Å; A76-T79 PolarHBondContact O-OG1 2.93Å; A76-S80 WeakPolarHBondContact O-CB 3.34Å; A76-S80 PolarHBondContact O-N 3.24Å; A76-S80 VanDerWaalsContact O-N 3.08Å |
| 77 | K | 91.1 | Very high | 90.5 | Very high | 144 Ų | 144 | 76.4 Ų | 76.4 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.2 | -49.4 | 177.1 | -76.3 | 174.5 | -179.1 | 179.7 | 0 | 111.7 | C73 T74 I75 T79 S80 Y83 | C73-K77 VanDerWaalsContact O-CB 3.32Å; C73-K77 WeakPolarHBondContact O-CB 3.37Å; C73-K77 WeakPolarHBondContact O-CG 3.49Å; C73-K77 PolarHBondContact O-N 3.4Å; T74-K77 PolarHBondContact O-N 3.41Å; I75-K77 VanDerWaalsContact C-N 3.32Å; I75-K77 PolarHBondContact O-N 2.86Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 3.48Å; K77-S80 WeakPolarHBondContact O-CB 3.38Å; K77-S80 PolarHBondContact O-N 3.48Å; K77-S80 VanDerWaalsContact O-N 3.14Å; K77-S80 PolarHBondContact O-OG 2.86Å; K77-Y83 VanDerWaalsContact O-CB 3.27Å; K77-Y83 WeakPolarHBondContact O-CB 3.41Å |
| 78 | T | 88.2 | Confident | 90.5 | Very high | 57 Ų | 57 | 75.7 Ų | 75.7 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.9 | -31 | -176.5 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | T74 I75 S80 Y83 I84 | T74-T78 HydrophobicContact CG2-CG2 4.24Å; T74-T78 WeakPolarHBondContact O-CB 3.42Å; T74-T78 VanDerWaalsContact O-CG2 3.26Å; T74-T78 WeakPolarHBondContact O-CG2 3.44Å; T74-T78 PolarHBondContact O-N 3.12Å; T74-T78 PolarHBondContact O-OG1 2.87Å; I75-T78 PolarHBondContact O-N 3.36Å; I75-T78 PolarHBondContact O-OG1 3.4Å; I75-T78 VanDerWaalsContact O-OG1 3.05Å; T78-S80 VanDerWaalsContact C-N 3.32Å; T78-Y83 HydrophobicContact CG2-CE1 4.04Å; T78-I84 WeakPolarHBondContact O-CD1 3.21Å; T78-I84 WeakPolarHBondContact O-CG1 3.47Å |
| 79 | T | 87 | Confident | 90.6 | Very high | 76 Ų | 76 | 82.6 Ų | 82.6 | 47% | 0.466 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4 | 173.6 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | I75 A76 K77 | I75-T79 HydrophobicContact CG2-CG2 4.23Å; I75-T79 WeakPolarHBondContact O-CB 3.4Å; I75-T79 WeakPolarHBondContact O-CG2 3.46Å; I75-T79 PolarHBondContact O-N 2.85Å; I75-T79 PolarHBondContact O-OG1 3.27Å; A76-T79 PolarHBondContact O-OG1 2.93Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 3.48Å |
| 80 | S | 87.9 | Confident | 90.7 | Very high | 39 Ų | 39 | 86.8 Ų | 86.8 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -70.7 | 134.7 | 179.2 | 75.5 | 0 | 0 | 0 | 0 | 110.6 | A76 K77 T78 Y83 I84 | A76-S80 WeakPolarHBondContact O-CB 3.34Å; A76-S80 PolarHBondContact O-N 3.24Å; A76-S80 VanDerWaalsContact O-N 3.08Å; K77-S80 WeakPolarHBondContact O-CB 3.38Å; K77-S80 PolarHBondContact O-N 3.48Å; K77-S80 VanDerWaalsContact O-N 3.14Å; K77-S80 PolarHBondContact O-OG 2.86Å; T78-S80 VanDerWaalsContact C-N 3.32Å; S80-Y83 PolarHBondContact O-N 3.47Å; S80-Y83 VanDerWaalsContact O-N 3.16Å; S80-Y83 VanDerWaalsContact OG-CB 3.27Å; S80-Y83 WeakPolarHBondContact OG-CB 3.48Å; S80-I84 PolarHBondContact O-N 2.76Å; S80-I84 VanDerWaalsContact O-N 3.1Å |
| 81 | K | 83 | Confident | 90.7 | Very high | 158 Ų | 158 | 88.6 Ų | 88.6 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -48.8 | -50.6 | 176.9 | -173.7 | 166.4 | -176.1 | 168 | 0 | 114 | Y83 I84 D85 | K81-Y83 VanDerWaalsContact C-N 3.28Å; K81-Y83 PolarHBondContact O-N 3.32Å; K81-I84 PolarHBondContact O-N 3.36Å; K81-D85 WeakPolarHBondContact CG-OD2 3.27Å; K81-D85 WeakPolarHBondContact O-CB 3.27Å; K81-D85 PolarHBondContact O-N 3.28Å |
| 82 | P | 84.4 | Confident | 90.8 | Very high | 93 Ų | 93 | 92.2 Ų | 92.2 | 60% | 0.604 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.5 | -32.7 | -178.2 | 24 | -34.8 | 0 | 0 | 0 | 113.5 | S86 | P82-S86 WeakPolarHBondContact O-CB 3.42Å; P82-S86 PolarHBondContact O-N 3.1Å |
| 83 | Y | 84.4 | Confident | 90.9 | Very high | 113 Ų | 113 | 90.2 Ų | 90.2 | 44% | 0.443 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72 | -43.5 | 178.3 | -173.8 | -100.8 | 0 | 0 | 0 | 111.7 | K77 T78 S80 K81 S86 I87 | K77-Y83 VanDerWaalsContact O-CB 3.27Å; K77-Y83 WeakPolarHBondContact O-CB 3.41Å; T78-Y83 HydrophobicContact CG2-CE1 4.04Å; S80-Y83 PolarHBondContact O-N 3.47Å; S80-Y83 VanDerWaalsContact O-N 3.16Å; S80-Y83 VanDerWaalsContact OG-CB 3.27Å; S80-Y83 WeakPolarHBondContact OG-CB 3.48Å; K81-Y83 VanDerWaalsContact C-N 3.28Å; K81-Y83 PolarHBondContact O-N 3.32Å; Y83-S86 WeakPolarHBondContact O-CB 3.49Å; Y83-S86 PolarHBondContact O-N 3.03Å; Y83-I87 HydrophobicContact CD1-CD1 3.73Å; Y83-I87 HydrophobicContact CE1-CD1 3.24Å; Y83-I87 HydrophobicContact CE1-CG1 4.24Å; Y83-I87 WeakPolarHBondContact O-CG1 3.32Å; Y83-I87 PolarHBondContact O-N 3.18Å |
| 84 | I | 86.2 | Confident | 91 | Very high | 76 Ų | 76 | 89.7 Ų | 89.7 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 173.9 | -67.3 | -62.6 | 0 | 0 | 0 | 110.8 | T78 S80 K81 S86 I87 C88 | T78-I84 WeakPolarHBondContact O-CD1 3.21Å; T78-I84 WeakPolarHBondContact O-CG1 3.47Å; S80-I84 PolarHBondContact O-N 2.76Å; S80-I84 VanDerWaalsContact O-N 3.1Å; K81-I84 PolarHBondContact O-N 3.36Å; I84-S86 VanDerWaalsContact C-N 3.28Å; I84-S86 PolarHBondContact O-N 3.35Å; I84-I87 PolarHBondContact O-N 2.66Å; I84-I87 VanDerWaalsContact O-N 3.16Å; I84-C88 WeakPolarHBondContact O-CB 3.37Å; I84-C88 PolarHBondContact O-N 3.14Å; I84-C88 PolarHBondContact O-SG 2.96Å; I84-C88 VanDerWaalsContact O-SG 3.36Å |
| 85 | D | 90.6 | Very high | 91.1 | Very high | 87 Ų | 87 | 92.8 Ų | 92.8 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 178.8 | -69 | -17.7 | 0 | 0 | 0 | 111.1 | K81 C88 Y89 | K81-D85 WeakPolarHBondContact CG-OD2 3.27Å; K81-D85 WeakPolarHBondContact O-CB 3.27Å; K81-D85 PolarHBondContact O-N 3.28Å; D85-C88 PolarHBondContact O-N 3.08Å; D85-Y89 WeakPolarHBondContact O-CB 3.43Å; D85-Y89 PolarHBondContact O-N 3.33Å |
| 86 | S | 91.6 | Very high | 91.3 | Very high | 61 Ų | 61 | 93.2 Ų | 93.2 | 43% | 0.427 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | P82 Y83 I84 R90 | P82-S86 WeakPolarHBondContact O-CB 3.42Å; P82-S86 PolarHBondContact O-N 3.1Å; Y83-S86 WeakPolarHBondContact O-CB 3.49Å; Y83-S86 PolarHBondContact O-N 3.03Å; I84-S86 VanDerWaalsContact C-N 3.28Å; I84-S86 PolarHBondContact O-N 3.35Å; S86-R90 VanDerWaalsContact O-CG 3.29Å; S86-R90 WeakPolarHBondContact O-CG 3.08Å; S86-R90 PolarHBondContact O-N 3.42Å |
| 87 | I | 90.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 97.3 Ų | 97.3 | 30% | 0.297 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 176.8 | -70.6 | 174 | 0 | 0 | 0 | 110.6 | Y83 I84 Y89 R90 M91 | Y83-I87 HydrophobicContact CD1-CD1 3.73Å; Y83-I87 HydrophobicContact CE1-CD1 3.24Å; Y83-I87 HydrophobicContact CE1-CG1 4.24Å; Y83-I87 WeakPolarHBondContact O-CG1 3.32Å; Y83-I87 PolarHBondContact O-N 3.18Å; I84-I87 PolarHBondContact O-N 2.66Å; I84-I87 VanDerWaalsContact O-N 3.16Å; I87-Y89 VanDerWaalsContact C-N 3.32Å; I87-Y89 PolarHBondContact O-N 3.16Å; I87-R90 PolarHBondContact O-N 3Å; I87-M91 HydrophobicContact CG2-CG 4.36Å; I87-M91 HydrophobicContact CG2-SD 3.91Å; I87-M91 WeakPolarHBondContact O-CG 3.44Å; I87-M91 PolarHBondContact O-N 3.22Å |
| 88 | C | 92 | Very high | 91.5 | Very high | 57 Ų | 57 | 95.9 Ų | 95.9 | 39% | 0.385 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 178.9 | -73.4 | 0 | 0 | 0 | 0 | 111 | I84 D85 R90 M91 I92 | I84-C88 WeakPolarHBondContact O-CB 3.37Å; I84-C88 PolarHBondContact O-N 3.14Å; I84-C88 PolarHBondContact O-SG 2.96Å; I84-C88 VanDerWaalsContact O-SG 3.36Å; D85-C88 PolarHBondContact O-N 3.08Å; C88-R90 PolarHBondContact O-N 3.08Å; C88-M91 PolarHBondContact O-N 3.41Å; C88-I92 WeakPolarHBondContact O-CB 3.19Å; C88-I92 VanDerWaalsContact O-CG1 3.22Å; C88-I92 WeakPolarHBondContact O-CG1 3.41Å; C88-I92 PolarHBondContact O-N 3.45Å |
| 89 | Y | 95.6 | Very high | 91.6 | Very high | 162 Ų | 162 | 96 Ų | 96 | 64% | 0.635 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -56.7 | -49.7 | 175.8 | 176.9 | -101 | 0 | 0 | 0 | 111.4 | D85 I87 M91 I92 T93 | D85-Y89 WeakPolarHBondContact O-CB 3.43Å; D85-Y89 PolarHBondContact O-N 3.33Å; I87-Y89 VanDerWaalsContact C-N 3.32Å; I87-Y89 PolarHBondContact O-N 3.16Å; Y89-M91 VanDerWaalsContact C-N 3.33Å; Y89-M91 PolarHBondContact O-N 3.36Å; Y89-I92 PolarHBondContact O-N 3.46Å; Y89-T93 WeakPolarHBondContact O-CB 3.46Å; Y89-T93 PolarHBondContact O-N 3.07Å; Y89-T93 PolarHBondContact O-OG1 3.49Å |
| 90 | R | 95.4 | Very high | 91.8 | Very high | 177 Ų | 177 | 98.4 Ų | 98.4 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -40.4 | 178.2 | -72.1 | 174.6 | 66.6 | -163.5 | -0.1 | 112.5 | S86 I87 C88 A94 | S86-R90 VanDerWaalsContact O-CG 3.29Å; S86-R90 WeakPolarHBondContact O-CG 3.08Å; S86-R90 PolarHBondContact O-N 3.42Å; I87-R90 PolarHBondContact O-N 3Å; C88-R90 PolarHBondContact O-N 3.08Å; R90-A94 VanDerWaalsContact O-CB 3.3Å; R90-A94 WeakPolarHBondContact O-CB 3.3Å; R90-A94 PolarHBondContact O-N 3.13Å |
| 91 | M | 96.3 | Very high | 91.9 | Very high | 128 Ų | 128 | 101.3 Ų | 101.3 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -42.6 | 176.9 | -72.6 | 178.8 | 75.4 | 0 | 0 | 112 | I87 C88 Y89 A94 K95 | I87-M91 HydrophobicContact CG2-CG 4.36Å; I87-M91 HydrophobicContact CG2-SD 3.91Å; I87-M91 WeakPolarHBondContact O-CG 3.44Å; I87-M91 PolarHBondContact O-N 3.22Å; C88-M91 PolarHBondContact O-N 3.41Å; Y89-M91 VanDerWaalsContact C-N 3.33Å; Y89-M91 PolarHBondContact O-N 3.36Å; M91-A94 PolarHBondContact O-N 2.95Å; M91-K95 VanDerWaalsContact O-CB 3.31Å; M91-K95 WeakPolarHBondContact O-CB 3.48Å; M91-K95 PolarHBondContact O-N 3.3Å |
| 92 | I | 96.4 | Very high | 92.4 | Very high | 115 Ų | 115 | 95.2 Ų | 95.2 | 59% | 0.59 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 176.9 | -68.7 | 165.2 | 0 | 0 | 0 | 109.9 | C88 Y89 A94 K95 A96 | C88-I92 WeakPolarHBondContact O-CB 3.19Å; C88-I92 VanDerWaalsContact O-CG1 3.22Å; C88-I92 WeakPolarHBondContact O-CG1 3.41Å; C88-I92 PolarHBondContact O-N 3.45Å; Y89-I92 PolarHBondContact O-N 3.46Å; I92-A94 PolarHBondContact O-N 3.09Å; I92-K95 PolarHBondContact O-N 3.34Å; I92-A96 WeakPolarHBondContact O-CB 3.25Å; I92-A96 PolarHBondContact O-N 3.45Å |
| 93 | T | 96.5 | Very high | 92.6 | Very high | 67 Ų | 67 | 95.4 Ų | 95.4 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | Y89 K95 A96 Y97 | Y89-T93 WeakPolarHBondContact O-CB 3.46Å; Y89-T93 PolarHBondContact O-N 3.07Å; Y89-T93 PolarHBondContact O-OG1 3.49Å; T93-K95 PolarHBondContact O-N 2.89Å; T93-A96 PolarHBondContact O-N 3.4Å; T93-Y97 WeakPolarHBondContact O-CB 3.31Å; T93-Y97 PolarHBondContact O-N 2.87Å |
| 94 | A | 96.8 | Very high | 92.9 | Very high | 49 Ų | 49 | 94.7 Ų | 94.7 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R90 M91 I92 Y97 I98 | R90-A94 VanDerWaalsContact O-CB 3.3Å; R90-A94 WeakPolarHBondContact O-CB 3.3Å; R90-A94 PolarHBondContact O-N 3.13Å; M91-A94 PolarHBondContact O-N 2.95Å; I92-A94 PolarHBondContact O-N 3.09Å; A94-Y97 PolarHBondContact O-N 3.42Å; A94-I98 VanDerWaalsContact O-CG1 3.25Å; A94-I98 WeakPolarHBondContact O-CG1 3.27Å; A94-I98 PolarHBondContact O-N 3.17Å |
| 95 | K | 95.8 | Very high | 93 | Very high | 140 Ų | 140 | 97.4 Ų | 97.4 | 61% | 0.609 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.5 | -47.1 | 175.4 | -179.6 | -175.9 | 175.3 | -175.9 | 0 | 111.3 | M91 I92 T93 I98 I99 | M91-K95 VanDerWaalsContact O-CB 3.31Å; M91-K95 WeakPolarHBondContact O-CB 3.48Å; M91-K95 PolarHBondContact O-N 3.3Å; I92-K95 PolarHBondContact O-N 3.34Å; T93-K95 PolarHBondContact O-N 2.89Å; K95-I98 PolarHBondContact O-N 2.99Å; K95-I99 HydrophobicContact CD-CD1 4.49Å; K95-I99 HydrophobicContact CG-CD1 3.85Å; K95-I99 VanDerWaalsContact O-CG1 3.27Å; K95-I99 WeakPolarHBondContact O-CG1 3.37Å; K95-I99 PolarHBondContact O-N 3.33Å |
| 96 | A | 95 | Very high | 92.8 | Very high | 40 Ų | 40 | 97.8 Ų | 97.8 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | I92 T93 I98 I99 E100 | I92-A96 WeakPolarHBondContact O-CB 3.25Å; I92-A96 PolarHBondContact O-N 3.45Å; T93-A96 PolarHBondContact O-N 3.4Å; A96-I98 PolarHBondContact O-N 2.94Å; A96-I99 PolarHBondContact O-N 3.41Å; A96-I99 VanDerWaalsContact O-N 3.17Å; A96-E100 WeakPolarHBondContact O-CB 3.31Å; A96-E100 WeakPolarHBondContact O-CG 3.4Å; A96-E100 PolarHBondContact O-N 3.43Å |
| 97 | Y | 95.1 | Very high | 92.7 | Very high | 147 Ų | 147 | 98.7 Ų | 98.7 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.5 | -45.9 | 176.9 | -177.4 | -97.4 | 0 | 0 | 0 | 112.6 | T93 A94 I99 E100 Q101 | T93-Y97 WeakPolarHBondContact O-CB 3.31Å; T93-Y97 PolarHBondContact O-N 2.87Å; A94-Y97 PolarHBondContact O-N 3.42Å; Y97-I99 VanDerWaalsContact C-N 3.32Å; Y97-I99 PolarHBondContact O-N 3.39Å; Y97-E100 PolarHBondContact O-N 2.92Å; Y97-Q101 HydrophobicContact CD1-CG 4.38Å; Y97-Q101 HydrophobicContact CD2-CG 4.1Å; Y97-Q101 HydrophobicContact CE1-CG 4.05Å; Y97-Q101 HydrophobicContact CE2-CG 3.76Å; Y97-Q101 HydrophobicContact CG-CG 4.41Å; Y97-Q101 WeakPolarHBondContact O-CB 3.48Å; Y97-Q101 WeakPolarHBondContact O-CG 3.48Å; Y97-Q101 PolarHBondContact O-N 3.49Å |
| 98 | I | 93.7 | Very high | 92.6 | Very high | 114 Ų | 114 | 100.4 Ų | 100.4 | 59% | 0.585 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 177 | -70.3 | 165.2 | 0 | 0 | 0 | 110.7 | A94 K95 A96 S102 | A94-I98 VanDerWaalsContact O-CG1 3.25Å; A94-I98 WeakPolarHBondContact O-CG1 3.27Å; A94-I98 PolarHBondContact O-N 3.17Å; K95-I98 PolarHBondContact O-N 2.99Å; A96-I98 PolarHBondContact O-N 2.94Å; I98-S102 WeakPolarHBondContact O-CA 3.22Å; I98-S102 WeakPolarHBondContact O-CB 3.47Å; I98-S102 PolarHBondContact O-N 3.33Å |
| 99 | I | 90.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 103.1 Ų | 103.1 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 179.9 | -69.6 | 170.5 | 0 | 0 | 0 | 110.8 | K95 A96 Y97 Q101 S102 W105 | K95-I99 HydrophobicContact CD-CD1 4.49Å; K95-I99 HydrophobicContact CG-CD1 3.85Å; K95-I99 VanDerWaalsContact O-CG1 3.27Å; K95-I99 WeakPolarHBondContact O-CG1 3.37Å; K95-I99 PolarHBondContact O-N 3.33Å; A96-I99 PolarHBondContact O-N 3.41Å; A96-I99 VanDerWaalsContact O-N 3.17Å; Y97-I99 VanDerWaalsContact C-N 3.32Å; Y97-I99 PolarHBondContact O-N 3.39Å; I99-Q101 VanDerWaalsContact C-N 3.33Å; I99-Q101 PolarHBondContact O-N 2.94Å; I99-S102 PolarHBondContact O-N 3.02Å; I99-W105 VanDerWaalsContact CG2-CD1 3.48Å; I99-W105 HydrophobicContact CG2-CD2 4.24Å; I99-W105 HydrophobicContact CG2-CG 4Å |
| 100 | E | 89.9 | Confident | 91.8 | Very high | 126 Ų | 126 | 102.1 Ų | 102.1 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -36.3 | -179.7 | -74.6 | 175.6 | -174 | 0 | 0 | 112.9 | A96 Y97 K106 | A96-E100 WeakPolarHBondContact O-CB 3.31Å; A96-E100 WeakPolarHBondContact O-CG 3.4Å; A96-E100 PolarHBondContact O-N 3.43Å; Y97-E100 PolarHBondContact O-N 2.92Å; E100-K106 WeakPolarHBondContact O-CE 3.45Å; E100-K106 PolarHBondContact O-NZ 3.27Å; E100-K106 VanDerWaalsContact O-NZ 3.15Å |
| 101 | Q | 91.4 | Very high | 91.5 | Very high | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -89.6 | -12.2 | 179.8 | -60.4 | -57.5 | -21.2 | 0 | 0 | 113.3 | Y97 I99 P103 | Y97-Q101 HydrophobicContact CD1-CG 4.38Å; Y97-Q101 HydrophobicContact CD2-CG 4.1Å; Y97-Q101 HydrophobicContact CE1-CG 4.05Å; Y97-Q101 HydrophobicContact CE2-CG 3.76Å; Y97-Q101 HydrophobicContact CG-CG 4.41Å; Y97-Q101 WeakPolarHBondContact O-CB 3.48Å; Y97-Q101 WeakPolarHBondContact O-CG 3.48Å; Y97-Q101 PolarHBondContact O-N 3.49Å; I99-Q101 VanDerWaalsContact C-N 3.33Å; I99-Q101 PolarHBondContact O-N 2.94Å; Q101-P103 WeakPolarHBondContact O-CD 3.4Å |
| 102 | S | 92.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 99.3 Ų | 99.3 | 22% | 0.217 | 50% | 0.5 | C | S | . | . | trans | -66.1 | 115.9 | -177.3 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | I98 I99 V104 W105 K106 | I98-S102 WeakPolarHBondContact O-CA 3.22Å; I98-S102 WeakPolarHBondContact O-CB 3.47Å; I98-S102 PolarHBondContact O-N 3.33Å; I99-S102 PolarHBondContact O-N 3.02Å; S102-V104 VanDerWaalsContact C-N 3.27Å; S102-V104 PolarHBondContact O-N 3.32Å; S102-V104 PolarHBondContact OG-N 2.95Å; S102-W105 PolarHBondContact O-N 3.43Å; S102-W105 PolarHBondContact OG-N 3.03Å; S102-W105 VanDerWaalsContact OG-N 3.09Å; S102-K106 WeakPolarHBondContact O-CG 3.29Å; S102-K106 PolarHBondContact O-N 3.34Å; S102-K106 VanDerWaalsContact O-N 3.13Å | ||
| 103 | P | 88.6 | Confident | 90 | Very high | 96 Ų | 96 | 98.9 Ų | 98.9 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -37 | 174.9 | -18.8 | 32 | 0 | 0 | 0 | 111.5 | Q101 W105 K106 T107 | Q101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-W105 VanDerWaalsContact C-N 3.35Å; P103-K106 PolarHBondContact O-N 2.91Å; P103-T107 PolarHBondContact O-N 3.44Å; P103-T107 PolarHBondContact O-OG1 3.39Å; P103-T107 VanDerWaalsContact O-OG1 3.08Å |
| 104 | V | 90.9 | Very high | 88.9 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 177.5 | 178 | 0 | 0 | 0 | 0 | 110.3 | S102 K106 T107 L108 | S102-V104 VanDerWaalsContact C-N 3.27Å; S102-V104 PolarHBondContact O-N 3.32Å; S102-V104 PolarHBondContact OG-N 2.95Å; V104-K106 PolarHBondContact O-N 3.36Å; V104-T107 PolarHBondContact O-N 3.01Å; V104-L108 HydrophobicContact CG1-CD1 4.12Å; V104-L108 HydrophobicContact CG1-CG 4.46Å; V104-L108 WeakPolarHBondContact O-CG 3.48Å; V104-L108 PolarHBondContact O-N 3.48Å |
| 105 | W | 87.3 | Confident | 87.3 | Confident | 132 Ų | 132 | 102 Ų | 102 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 178.3 | -165 | -105.3 | 0 | 0 | 0 | 111.9 | I99 S102 P103 T107 L108 Q109 | I99-W105 VanDerWaalsContact CG2-CD1 3.48Å; I99-W105 HydrophobicContact CG2-CD2 4.24Å; I99-W105 HydrophobicContact CG2-CG 4Å; S102-W105 PolarHBondContact O-N 3.43Å; S102-W105 PolarHBondContact OG-N 3.03Å; S102-W105 VanDerWaalsContact OG-N 3.09Å; P103-W105 VanDerWaalsContact C-N 3.35Å; W105-T107 VanDerWaalsContact C-N 3.34Å; W105-T107 PolarHBondContact O-N 2.88Å; W105-L108 HydrophobicContact CE3-CD1 4.46Å; W105-L108 PolarHBondContact O-N 3.24Å; W105-Q109 WeakPolarHBondContact O-CB 3.17Å; W105-Q109 PolarHBondContact O-N 3.31Å |
| 106 | K | 87.4 | Confident | 85.6 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.4 | -69.8 | 175.2 | -175.5 | 170.2 | 0 | 112.1 | E100 S102 P103 V104 Q109 K110 | E100-K106 WeakPolarHBondContact O-CE 3.45Å; E100-K106 PolarHBondContact O-NZ 3.27Å; E100-K106 VanDerWaalsContact O-NZ 3.15Å; S102-K106 WeakPolarHBondContact O-CG 3.29Å; S102-K106 PolarHBondContact O-N 3.34Å; S102-K106 VanDerWaalsContact O-N 3.13Å; P103-K106 PolarHBondContact O-N 2.91Å; V104-K106 PolarHBondContact O-N 3.36Å; K106-Q109 PolarHBondContact O-N 2.88Å; K106-K110 WeakPolarHBondContact O-CG 3.21Å; K106-K110 PolarHBondContact O-N 3.49Å; K106-K110 VanDerWaalsContact O-N 3.07Å |
| 107 | T | 89.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 103 Ų | 103 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 177.2 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | P103 V104 W105 Q109 K110 I111 | P103-T107 PolarHBondContact O-N 3.44Å; P103-T107 PolarHBondContact O-OG1 3.39Å; P103-T107 VanDerWaalsContact O-OG1 3.08Å; V104-T107 PolarHBondContact O-N 3.01Å; W105-T107 VanDerWaalsContact C-N 3.34Å; W105-T107 PolarHBondContact O-N 2.88Å; T107-Q109 VanDerWaalsContact C-N 3.31Å; T107-Q109 PolarHBondContact O-N 2.91Å; T107-K110 PolarHBondContact O-N 3.27Å; T107-I111 HydrophobicContact CG2-CD1 4Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 2.87Å |
| 108 | L | 87.3 | Confident | 82 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 176 | -71.9 | 172.9 | 0 | 0 | 0 | 112 | V104 W105 I111 K112 | V104-L108 HydrophobicContact CG1-CD1 4.12Å; V104-L108 HydrophobicContact CG1-CG 4.46Å; V104-L108 WeakPolarHBondContact O-CG 3.48Å; V104-L108 PolarHBondContact O-N 3.48Å; W105-L108 HydrophobicContact CE3-CD1 4.46Å; W105-L108 PolarHBondContact O-N 3.24Å; L108-I111 PolarHBondContact O-N 2.89Å; L108-K112 PolarHBondContact O-N 3.04Å |
| 109 | Q | 85.7 | Confident | 80.3 | Confident | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.2 | -165.9 | 175.7 | 17.5 | 0 | 0 | 111.9 | W105 K106 T107 K112 L113 | W105-Q109 WeakPolarHBondContact O-CB 3.17Å; W105-Q109 PolarHBondContact O-N 3.31Å; K106-Q109 PolarHBondContact O-N 2.88Å; T107-Q109 VanDerWaalsContact C-N 3.31Å; T107-Q109 PolarHBondContact O-N 2.91Å; Q109-K112 PolarHBondContact O-N 3.45Å; Q109-L113 HydrophobicContact CG-CD1 4.26Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.33Å; Q109-L113 PolarHBondContact O-N 3.02Å |
| 110 | K | 86.3 | Confident | 78.4 | Confident | 141 Ų | 141 | 105.4 Ų | 105.4 | 61% | 0.613 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 174 | -74.1 | 178 | 179.8 | -176.3 | 0 | 112.5 | K106 T107 K112 L113 N114 | K106-K110 WeakPolarHBondContact O-CG 3.21Å; K106-K110 PolarHBondContact O-N 3.49Å; K106-K110 VanDerWaalsContact O-N 3.07Å; T107-K110 PolarHBondContact O-N 3.27Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.19Å; K110-L113 PolarHBondContact O-N 3.41Å; K110-N114 WeakPolarHBondContact O-CB 2.91Å; K110-N114 VanDerWaalsContact O-CG 3.24Å; K110-N114 PolarHBondContact O-N 3.16Å |
| 111 | I | 88.9 | Confident | 76 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.8 | -44 | 178.1 | -66 | 164 | 0 | 0 | 0 | 110.5 | T107 L108 N114 S115 | T107-I111 HydrophobicContact CG2-CD1 4Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 2.87Å; L108-I111 PolarHBondContact O-N 2.89Å; I111-N114 PolarHBondContact O-N 3.45Å; I111-S115 PolarHBondContact O-N 3.03Å |
| 112 | K | 83.9 | Confident | 75.3 | Confident | 143 Ų | 143 | 111.1 Ų | 111.1 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -43.7 | 176.5 | -174.4 | 176.8 | 179.5 | -179.3 | 0 | 112.7 | L108 Q109 K110 N114 S115 D116 | L108-K112 PolarHBondContact O-N 3.04Å; Q109-K112 PolarHBondContact O-N 3.45Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.19Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.38Å; K112-S115 PolarHBondContact O-N 2.9Å; K112-S115 PolarHBondContact O-OG 3.28Å; K112-D116 PolarHBondContact O-N 3.15Å |
| 113 | L | 76.3 | Confident | 74.3 | Confident | 106 Ų | 106 | 115.3 Ų | 115.3 | 56% | 0.555 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.6 | -34.4 | 177.4 | -71 | 166.9 | 0 | 0 | 0 | 112.1 | Q109 K110 D116 | Q109-L113 HydrophobicContact CG-CD1 4.26Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.33Å; Q109-L113 PolarHBondContact O-N 3.02Å; K110-L113 PolarHBondContact O-N 3.41Å; L113-D116 PolarHBondContact O-N 2.92Å |
| 114 | N | 73 | Confident | 73.5 | Confident | 106 Ų | 106 | 116.4 Ų | 116.4 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.8 | -28.8 | 176.9 | -72.7 | -4.5 | 0 | 0 | 0 | 113 | K110 I111 K112 D116 S117 V118 | K110-N114 WeakPolarHBondContact O-CB 2.91Å; K110-N114 VanDerWaalsContact O-CG 3.24Å; K110-N114 PolarHBondContact O-N 3.16Å; I111-N114 PolarHBondContact O-N 3.45Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.38Å; N114-D116 VanDerWaalsContact C-N 3.3Å; N114-S117 PolarHBondContact O-OG 2.84Å; N114-V118 WeakPolarHBondContact O-CG2 3.46Å |
| 115 | S | 64.9 | Low | 72.5 | Confident | 76 Ų | 76 | 117.4 Ų | 117.4 | 53% | 0.531 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.3 | -30.1 | 173.7 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | I111 K112 S117 | I111-S115 PolarHBondContact O-N 3.03Å; K112-S115 PolarHBondContact O-N 2.9Å; K112-S115 PolarHBondContact O-OG 3.28Å; S115-S117 VanDerWaalsContact C-N 3.35Å |
| 116 | D | 59.5 | Low | 71.6 | Confident | 115 Ų | 115 | 116.5 Ų | 116.5 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.3 | -18.6 | -179.8 | -63.3 | -17.9 | 0 | 0 | 0 | 112.6 | K112 L113 N114 | K112-D116 PolarHBondContact O-N 3.15Å; L113-D116 PolarHBondContact O-N 2.92Å; N114-D116 VanDerWaalsContact C-N 3.3Å |
| 117 | S | 58.5 | Low | 70.5 | Confident | 86 Ų | 86 | 117.9 Ų | 117.9 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -0.8 | 177.2 | 57 | 0 | 0 | 0 | 0 | 115.4 | N114 S115 | N114-S117 PolarHBondContact O-OG 2.84Å; S115-S117 VanDerWaalsContact C-N 3.35Å |
| 118 | V | 56.5 | Low | 69.2 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 15.4 | -174.1 | -179 | 0 | 0 | 0 | 0 | 113.5 | N114 P120 | N114-V118 WeakPolarHBondContact O-CG2 3.46Å; V118-P120 WeakPolarHBondContact O-CD 3.43Å |
| 119 | N | 56.7 | Low | 67.8 | Low | 152 Ų | 152 | 122.7 Ų | 122.7 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | trans | -109.2 | 85.5 | 166.3 | -99.3 | -18 | 0 | 0 | 0 | 112 | ||||
| 120 | P | 50.5 | Low | 66.3 | Low | 111 Ų | 111 | 123.4 Ų | 123.4 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | trans | -89.9 | 110.9 | 154.9 | 33.7 | -23.1 | 0 | 0 | 0 | 108.5 | V118 | V118-P120 WeakPolarHBondContact O-CD 3.43Š| ||
| 121 | N | 40.4 | Very low | 64.5 | Low | 234 Ų | 234 | 121.8 Ų | 121.8 | 100% | 1.251 | 68% | 0.678 | S | S | * | * | trans | -88.5 | 0 | 149.3 | -82 | -24.1 | 0 | 0 | 0 | 107.6 |
Retrieved 121 of 121 residues in 144.3 ms
(Link to these results)