| 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 | 43.8 | Very low | 63 | Low | 245 Ų | 245 | 115.6 Ų | 115.6 | 100% | 1.207 | 58% | 0.576 | S | S | * | * | 0 | 98.8 | 0 | -98.1 | 179.5 | 173.3 | 0 | 0 | 109.2 | K3 | M1-K3 PolarHBondContact O-N 3.45Š| |||
| 2 | Q | 48.8 | Very low | 64.3 | Low | 195 Ų | 195 | 108.3 Ų | 108.3 | 91% | 0.911 | 54% | 0.539 | S | S | * | . | trans | -75.4 | 101.4 | 172.6 | -175.7 | 172.5 | -4.7 | 0 | 0 | 107.1 | T4 | Q2-T4 PolarHBondContact O-N 3.21Å; Q2-T4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | K | 51.5 | Low | 65.5 | Low | 123 Ų | 123 | 104.5 Ų | 104.5 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | trans | -53.7 | 125.2 | 171.1 | -80.3 | -173.2 | 173.5 | -173.3 | 0 | 107.2 | M1 L5 Q11 | M1-K3 PolarHBondContact O-N 3.45Å; K3-L5 PolarHBondContact O-N 3.17Å; K3-Q11 VanDerWaalsContact NZ-OE1 3.14Å | ||
| 4 | T | 62.9 | Low | 66.8 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | trans | -58.6 | 135.7 | 176.5 | 49.7 | 0 | 0 | 0 | 0 | 107.8 | Q2 P6 E7 | Q2-T4 PolarHBondContact O-N 3.21Å; Q2-T4 VanDerWaalsContact O-N 3.17Å; T4-P6 WeakPolarHBondContact O-CD 3.35Å; T4-E7 WeakPolarHBondContact O-CB 3.31Å; T4-E7 PolarHBondContact O-N 3.22Å; T4-E7 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 5 | L | 62.1 | Low | 68.1 | Low | 111 Ų | 111 | 100.5 Ų | 100.5 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -40.6 | -38.6 | -177.9 | -153.7 | 99.8 | 0 | 0 | 0 | 115.4 | K3 K9 | K3-L5 PolarHBondContact O-N 3.17Å; L5-K9 WeakPolarHBondContact O-CG 3.38Å; L5-K9 PolarHBondContact O-N 3.06Å |
| 6 | P | 67 | Low | 69.1 | Low | 74 Ų | 74 | 94.9 Ų | 94.9 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 175 | 23.3 | -36.4 | 0 | 0 | 0 | 114.4 | T4 L8 K9 I10 | T4-P6 WeakPolarHBondContact O-CD 3.35Å; P6-L8 VanDerWaalsContact C-N 3.26Å; P6-L8 PolarHBondContact O-N 2.89Å; P6-K9 PolarHBondContact O-N 2.94Å; P6-I10 WeakPolarHBondContact O-CG1 3.39Å; P6-I10 PolarHBondContact O-N 2.94Å; P6-I10 VanDerWaalsContact O-N 3.16Å |
| 7 | E | 70 | Confident | 70.2 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | -179.5 | -69 | -63 | 132.1 | 0 | 0 | 111.2 | T4 I10 Q11 | T4-E7 WeakPolarHBondContact O-CB 3.31Å; T4-E7 PolarHBondContact O-N 3.22Å; T4-E7 WeakPolarHBondContact OG1-CG 3.4Å; E7-I10 PolarHBondContact O-N 2.89Å; E7-Q11 WeakPolarHBondContact O-CG 3.44Å; E7-Q11 PolarHBondContact O-N 3.06Å; E7-Q11 VanDerWaalsContact O-N 3.14Å |
| 8 | L | 67.6 | Low | 71.2 | Confident | 52 Ų | 52 | 93.6 Ų | 93.6 | 27% | 0.272 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | -179.9 | -170.3 | 64.9 | 0 | 0 | 0 | 112 | P6 Q11 H12 | P6-L8 VanDerWaalsContact C-N 3.26Å; P6-L8 PolarHBondContact O-N 2.89Å; L8-Q11 PolarHBondContact O-N 3.22Å; L8-H12 VanDerWaalsContact CG-CE1 3.44Å; L8-H12 WeakPolarHBondContact CG-CE1 3.46Å; L8-H12 PolarHBondContact O-N 3.41Å; L8-H12 VanDerWaalsContact O-N 3.11Å; L8-H12 PolarHBondContact O-ND1 3.23Å; L8-H12 VanDerWaalsContact O-ND1 3.16Å |
| 9 | K | 67.2 | Low | 72.1 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 39% | 0.387 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.1 | -70.3 | -178.6 | 176.5 | -151.8 | 0 | 111.8 | L5 P6 Q11 H12 S13 D59 | L5-K9 WeakPolarHBondContact O-CG 3.38Å; L5-K9 PolarHBondContact O-N 3.06Å; P6-K9 PolarHBondContact O-N 2.94Å; K9-Q11 VanDerWaalsContact C-N 3.25Å; K9-Q11 PolarHBondContact O-N 3.41Å; K9-H12 PolarHBondContact O-N 3.42Å; K9-H12 VanDerWaalsContact O-N 3.17Å; K9-S13 PolarHBondContact O-N 3.03Å; K9-S13 VanDerWaalsContact O-N 3.07Å; K9-S13 PolarHBondContact O-OG 2.97Å; K9-D59 WeakPolarHBondContact CD-OD2 3.38Å; K9-D59 WeakPolarHBondContact CE-OD2 3.3Å; K9-D59 IonicContact NZ-OD2 3.78Å; K9-D59 PolarHBondContact NZ-OD2 2.94Å |
| 10 | I | 75.4 | Confident | 72.8 | Confident | 104 Ų | 104 | 87.9 Ų | 87.9 | 53% | 0.533 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 177.7 | -64.7 | 165 | 0 | 0 | 0 | 110 | P6 E7 H12 S13 I14 | P6-I10 WeakPolarHBondContact O-CG1 3.39Å; P6-I10 PolarHBondContact O-N 2.94Å; P6-I10 VanDerWaalsContact O-N 3.16Å; E7-I10 PolarHBondContact O-N 2.89Å; I10-H12 PolarHBondContact O-N 3.17Å; I10-S13 PolarHBondContact O-N 2.88Å; I10-I14 WeakPolarHBondContact O-CG2 3.13Å; I10-I14 PolarHBondContact O-N 3.5Å |
| 11 | Q | 77.3 | Confident | 73.6 | Confident | 93 Ų | 93 | 88.7 Ų | 88.7 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 178.2 | -65.6 | -96.5 | -71.4 | 0 | 0 | 113 | K3 E7 L8 K9 I14 A15 | K3-Q11 VanDerWaalsContact NZ-OE1 3.14Å; E7-Q11 WeakPolarHBondContact O-CG 3.44Å; E7-Q11 PolarHBondContact O-N 3.06Å; E7-Q11 VanDerWaalsContact O-N 3.14Å; L8-Q11 PolarHBondContact O-N 3.22Å; K9-Q11 VanDerWaalsContact C-N 3.25Å; K9-Q11 PolarHBondContact O-N 3.41Å; Q11-I14 WeakPolarHBondContact O-CG2 3.5Å; Q11-A15 VanDerWaalsContact O-CB 3.3Å; Q11-A15 WeakPolarHBondContact O-CB 3.41Å; Q11-A15 PolarHBondContact O-N 3.42Å; Q11-A15 VanDerWaalsContact O-N 3.14Å |
| 12 | H | 78.1 | Confident | 75.8 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 13% | 0.125 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 176 | -62.9 | 140.9 | 0 | 0 | 0 | 112.4 | L8 K9 I10 I14 A15 L16 Y121 I122 Q125 | L8-H12 VanDerWaalsContact CG-CE1 3.44Å; L8-H12 WeakPolarHBondContact CG-CE1 3.46Å; L8-H12 PolarHBondContact O-N 3.41Å; L8-H12 VanDerWaalsContact O-N 3.11Å; L8-H12 PolarHBondContact O-ND1 3.23Å; L8-H12 VanDerWaalsContact O-ND1 3.16Å; K9-H12 PolarHBondContact O-N 3.42Å; K9-H12 VanDerWaalsContact O-N 3.17Å; I10-H12 PolarHBondContact O-N 3.17Å; H12-I14 PolarHBondContact O-N 3.32Å; H12-A15 PolarHBondContact O-N 3.2Å; H12-L16 WeakPolarHBondContact O-CB 3.43Å; H12-L16 WeakPolarHBondContact O-CG 3.05Å; H12-L16 PolarHBondContact O-N 3.16Å; H12-Y121 AromaticContact NE2-CD1 3.85Å; H12-Y121 AromaticContact NE2-CE1 3.5Å; H12-I122 HydrophobicContact CB-CD1 4.13Å; H12-I122 HydrophobicContact CB-CG1 4.32Å; H12-Q125 PolarHBondContact CE1-NE2 3.09Å; H12-Q125 PolarHBondContact CE1-OE1 3.28Å |
| 13 | S | 79.7 | Confident | 77.7 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 179.8 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | K9 I10 K17 | K9-S13 PolarHBondContact O-N 3.03Å; K9-S13 VanDerWaalsContact O-N 3.07Å; K9-S13 PolarHBondContact O-OG 2.97Å; I10-S13 PolarHBondContact O-N 2.88Å; S13-K17 WeakPolarHBondContact O-CB 3.41Å; S13-K17 VanDerWaalsContact O-CG 3.27Å; S13-K17 WeakPolarHBondContact O-CG 3.49Å; S13-K17 PolarHBondContact O-N 3.04Å; S13-K17 VanDerWaalsContact O-N 3.11Å |
| 14 | I | 84.5 | Confident | 79.5 | Confident | 107 Ų | 107 | 69.6 Ų | 69.6 | 55% | 0.549 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 176 | -170.7 | 63.9 | 0 | 0 | 0 | 111.6 | I10 Q11 H12 L16 K17 G18 | I10-I14 WeakPolarHBondContact O-CG2 3.13Å; I10-I14 PolarHBondContact O-N 3.5Å; Q11-I14 WeakPolarHBondContact O-CG2 3.5Å; H12-I14 PolarHBondContact O-N 3.32Å; I14-L16 PolarHBondContact O-N 3.36Å; I14-K17 PolarHBondContact O-N 3.48Å; I14-G18 PolarHBondContact O-N 3.33Å |
| 15 | A | 85.7 | Confident | 80.9 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q11 H12 G18 I19 L118 | Q11-A15 VanDerWaalsContact O-CB 3.3Å; Q11-A15 WeakPolarHBondContact O-CB 3.41Å; Q11-A15 PolarHBondContact O-N 3.42Å; Q11-A15 VanDerWaalsContact O-N 3.14Å; H12-A15 PolarHBondContact O-N 3.2Å; A15-G18 PolarHBondContact O-N 3.1Å; A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.42Å; A15-I19 PolarHBondContact O-N 3.35Å; A15-L118 HydrophobicContact CB-CD1 3.72Å |
| 16 | L | 83.8 | Confident | 82.1 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.8 | -78.4 | 167.3 | 0 | 0 | 0 | 113 | H12 I14 G18 I19 L20 Q55 L118 L119 I122 | H12-L16 WeakPolarHBondContact O-CB 3.43Å; H12-L16 WeakPolarHBondContact O-CG 3.05Å; H12-L16 PolarHBondContact O-N 3.16Å; I14-L16 PolarHBondContact O-N 3.36Å; L16-G18 VanDerWaalsContact C-N 3.34Å; L16-I19 PolarHBondContact O-N 3.18Å; L16-L20 PolarHBondContact O-N 2.98Å; L16-Q55 VanDerWaalsContact CB-CD 3.45Å; L16-Q55 VanDerWaalsContact CB-NE2 3.3Å; L16-Q55 VanDerWaalsContact CD1-NE2 3.28Å; L16-L118 HydrophobicContact CD1-CD2 4.17Å; L16-L118 HydrophobicContact CD2-CD1 4.25Å; L16-L118 HydrophobicContact CD2-CD2 3.67Å; L16-L118 HydrophobicContact CD2-CG 4.35Å; L16-L118 HydrophobicContact CG-CD1 4.31Å; L16-L118 HydrophobicContact CG-CD2 3.65Å; L16-L119 HydrophobicContact CD2-CD2 4.19Å; L16-I122 HydrophobicContact CD1-CD1 3.42Å; L16-I122 VanDerWaalsContact CD1-CD1 3.42Å; L16-I122 HydrophobicContact CG-CD1 4.21Å |
| 17 | K | 87.9 | Confident | 83.1 | Confident | 129 Ų | 129 | 61.6 Ų | 61.6 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 173.8 | -74.2 | 176.1 | 179.4 | -172.6 | 0 | 111.6 | S13 I14 I19 L20 I21 | S13-K17 WeakPolarHBondContact O-CB 3.41Å; S13-K17 VanDerWaalsContact O-CG 3.27Å; S13-K17 WeakPolarHBondContact O-CG 3.49Å; S13-K17 PolarHBondContact O-N 3.04Å; S13-K17 VanDerWaalsContact O-N 3.11Å; I14-K17 PolarHBondContact O-N 3.48Å; K17-I19 VanDerWaalsContact C-N 3.35Å; K17-I19 PolarHBondContact O-N 3.33Å; K17-L20 PolarHBondContact O-N 2.89Å; K17-I21 WeakPolarHBondContact O-CG1 3.18Å; K17-I21 PolarHBondContact O-N 3.36Å |
| 18 | G | 88.5 | Confident | 84 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I14 A15 L16 I21 A22 | I14-G18 PolarHBondContact O-N 3.33Å; A15-G18 PolarHBondContact O-N 3.1Å; L16-G18 VanDerWaalsContact C-N 3.34Å; G18-I21 PolarHBondContact O-N 2.93Å; G18-A22 WeakPolarHBondContact O-CB 3.3Å; G18-A22 PolarHBondContact O-N 3.4Å |
| 19 | I | 87.4 | Confident | 85.1 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 175.7 | -69.7 | 170 | 0 | 0 | 0 | 111.2 | A15 L16 K17 A22 H23 L118 | A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.42Å; A15-I19 PolarHBondContact O-N 3.35Å; L16-I19 PolarHBondContact O-N 3.18Å; K17-I19 VanDerWaalsContact C-N 3.35Å; K17-I19 PolarHBondContact O-N 3.33Å; I19-A22 PolarHBondContact O-N 3.37Å; I19-H23 WeakPolarHBondContact CG2-CE1 3.14Å; I19-H23 VanDerWaalsContact CG2-ND1 3.33Å; I19-H23 WeakPolarHBondContact CG2-ND1 3.42Å; I19-H23 PolarHBondContact O-N 3.17Å; I19-H23 PolarHBondContact O-ND1 3.38Å; I19-L118 HydrophobicContact CD1-CD1 3.51Å |
| 20 | L | 87.5 | Confident | 86 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 177 | -175.4 | 156.5 | 0 | 0 | 0 | 111.3 | L16 K17 H23 F24 L51 Q55 | L16-L20 PolarHBondContact O-N 2.98Å; K17-L20 PolarHBondContact O-N 2.89Å; L20-H23 PolarHBondContact O-N 3.11Å; L20-F24 WeakPolarHBondContact O-CB 3.33Å; L20-F24 PolarHBondContact O-N 3.32Å; L20-L51 HydrophobicContact CB-CD2 3.82Å; L20-L51 HydrophobicContact CB-CG 4.5Å; L20-L51 HydrophobicContact CD1-CD2 4.4Å; L20-L51 HydrophobicContact CD1-CG 4.37Å; L20-L51 HydrophobicContact CG-CD2 4.07Å; L20-Q55 HydrophobicContact CD1-CG 4.29Å |
| 21 | I | 90 | Very high | 86.5 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 54% | 0.538 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 177.7 | -65.8 | 166 | 0 | 0 | 0 | 110.4 | K17 G18 H23 F24 V25 | K17-I21 WeakPolarHBondContact O-CG1 3.18Å; K17-I21 PolarHBondContact O-N 3.36Å; G18-I21 PolarHBondContact O-N 2.93Å; I21-H23 PolarHBondContact O-N 3.07Å; I21-F24 PolarHBondContact O-N 3.49Å; I21-V25 HydrophobicContact CG2-CG2 4.43Å; I21-V25 WeakPolarHBondContact O-CG2 3.29Å; I21-V25 PolarHBondContact O-N 2.97Å |
| 22 | A | 89.9 | Confident | 86.9 | Confident | 35 Ų | 35 | 53 Ų | 53 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G18 I19 V25 L26 L111 | G18-A22 WeakPolarHBondContact O-CB 3.3Å; G18-A22 PolarHBondContact O-N 3.4Å; I19-A22 PolarHBondContact O-N 3.37Å; A22-V25 PolarHBondContact O-N 2.92Å; A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 VanDerWaalsContact O-CG 3.25Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 3.47Å; A22-L111 HydrophobicContact CB-CD2 3.93Å |
| 23 | H | 88.6 | Confident | 87 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.2 | -76.2 | 84.9 | 0 | 0 | 0 | 111.8 | I19 L20 I21 V25 L26 V27 F47 L48 N108 | I19-H23 WeakPolarHBondContact CG2-CE1 3.14Å; I19-H23 VanDerWaalsContact CG2-ND1 3.33Å; I19-H23 WeakPolarHBondContact CG2-ND1 3.42Å; I19-H23 PolarHBondContact O-N 3.17Å; I19-H23 PolarHBondContact O-ND1 3.38Å; L20-H23 PolarHBondContact O-N 3.11Å; I21-H23 PolarHBondContact O-N 3.07Å; H23-V25 VanDerWaalsContact C-N 3.34Å; H23-V25 PolarHBondContact O-N 3.14Å; H23-L26 PolarHBondContact O-N 3.33Å; H23-V27 WeakPolarHBondContact O-CB 3.49Å; H23-V27 WeakPolarHBondContact O-CG2 3.17Å; H23-V27 PolarHBondContact O-N 3.36Å; H23-F47 HydrophobicContact CB-CE1 4.02Å; H23-F47 AromaticContact CD2-CE1 3.34Å; H23-F47 WeakPolarHBondContact CD2-CE1 3.38Å; H23-F47 AromaticContact CD2-CZ 3.42Å; H23-F47 VanDerWaalsContact CD2-CZ 3.42Å; H23-F47 WeakPolarHBondContact CD2-CZ 3.44Å; H23-F47 AromaticContact CG-CE1 3.73Å; H23-F47 AromaticContact NE2-CE1 3.95Å; H23-F47 AromaticContact NE2-CZ 3.51Å; H23-L48 HydrophobicContact CB-CD2 4.2Å; H23-N108 PolarHBondContact CD2-OD1 3.43Å |
| 24 | F | 89.1 | Confident | 86.9 | Confident | 127 Ų | 127 | 59.6 Ų | 59.6 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 177.9 | -179.1 | -97.8 | 0 | 0 | 0 | 111.9 | L20 I21 S28 L48 | L20-F24 WeakPolarHBondContact O-CB 3.33Å; L20-F24 PolarHBondContact O-N 3.32Å; I21-F24 PolarHBondContact O-N 3.49Å; F24-S28 PolarHBondContact O-N 3.35Å; F24-S28 PolarHBondContact O-OG 3.39Å; F24-L48 HydrophobicContact CD2-CD1 4.24Å |
| 25 | V | 91 | Very high | 86.5 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 42% | 0.424 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | I21 A22 H23 S28 L29 | I21-V25 HydrophobicContact CG2-CG2 4.43Å; I21-V25 WeakPolarHBondContact O-CG2 3.29Å; I21-V25 PolarHBondContact O-N 2.97Å; A22-V25 PolarHBondContact O-N 2.92Å; H23-V25 VanDerWaalsContact C-N 3.34Å; H23-V25 PolarHBondContact O-N 3.14Å; V25-S28 PolarHBondContact O-N 3.14Å; V25-S28 PolarHBondContact O-OG 3.5Å; V25-L29 HydrophobicContact CG1-CD1 4.07Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.28Å; V25-L29 PolarHBondContact O-N 3.16Å |
| 26 | L | 89.1 | Confident | 86.2 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 177.8 | -71.9 | 170.2 | 0 | 0 | 0 | 111.3 | A22 H23 S28 L29 T30 M104 I107 N108 L111 | A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 VanDerWaalsContact O-CG 3.25Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 3.47Å; H23-L26 PolarHBondContact O-N 3.33Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.07Å; L26-L29 CarbonylContact O-C 3.55Å; L26-L29 WeakPolarHBondContact O-CB 3.48Å; L26-L29 PolarHBondContact O-N 3.2Å; L26-L29 VanDerWaalsContact O-N 3.15Å; L26-T30 WeakPolarHBondContact O-CG2 3.45Å; L26-T30 PolarHBondContact O-N 3.16Å; L26-M104 HydrophobicContact CD2-SD 3.91Å; L26-I107 HydrophobicContact CD1-CG2 3.96Å; L26-I107 HydrophobicContact CD2-CB 4.47Å; L26-I107 HydrophobicContact CD2-CG2 3.95Å; L26-N108 HydrophobicContact CB-CB 3.91Å; L26-N108 HydrophobicContact CD1-CB 4.31Å; L26-L111 HydrophobicContact CD1-CD1 4.32Å; L26-L111 HydrophobicContact CD1-CD2 3.73Å; L26-L111 HydrophobicContact CD1-CG 4.47Å |
| 27 | V | 88 | Confident | 86.1 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 175.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | H23 L29 T30 L31 N44 N108 | H23-V27 WeakPolarHBondContact O-CB 3.49Å; H23-V27 WeakPolarHBondContact O-CG2 3.17Å; H23-V27 PolarHBondContact O-N 3.36Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.29Å; V27-T30 WeakPolarHBondContact CA-OG1 3.41Å; V27-T30 PolarHBondContact O-N 2.94Å; V27-T30 VanDerWaalsContact O-N 3.15Å; V27-T30 PolarHBondContact O-OG1 2.95Å; V27-L31 HydrophobicContact CG1-CD1 4.09Å; V27-L31 WeakPolarHBondContact O-CD1 3.27Å; V27-L31 PolarHBondContact O-N 2.72Å; V27-N44 HydrophobicContact CG1-CB 4.07Å; V27-N44 HydrophobicContact CG2-CB 4.22Å; V27-N44 WeakPolarHBondContact CG2-OD1 3.32Å; V27-N108 WeakPolarHBondContact CG2-ND2 3.41Å |
| 28 | S | 88.4 | Confident | 85.9 | Confident | 60 Ų | 60 | 56 Ų | 56 | 42% | 0.42 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 176.6 | 67.4 | 0 | 0 | 0 | 0 | 112.5 | F24 V25 L26 L31 | F24-S28 PolarHBondContact O-N 3.35Å; F24-S28 PolarHBondContact O-OG 3.39Å; V25-S28 PolarHBondContact O-N 3.14Å; V25-S28 PolarHBondContact O-OG 3.5Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.07Å; S28-L31 PolarHBondContact O-N 2.8Å |
| 29 | L | 89.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.5 | -32.5 | 173 | -68.4 | 169.9 | 0 | 0 | 0 | 113 | V25 L26 V27 T32 F100 M104 | V25-L29 HydrophobicContact CG1-CD1 4.07Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.28Å; V25-L29 PolarHBondContact O-N 3.16Å; L26-L29 CarbonylContact O-C 3.55Å; L26-L29 WeakPolarHBondContact O-CB 3.48Å; L26-L29 PolarHBondContact O-N 3.2Å; L26-L29 VanDerWaalsContact O-N 3.15Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.29Å; L29-T32 PolarHBondContact O-OG1 3.42Å; L29-F100 HydrophobicContact CD2-CE1 4.32Å; L29-M104 HydrophobicContact CB-CB 4.1Å; L29-M104 HydrophobicContact CB-CG 3.97Å; L29-M104 HydrophobicContact CD1-CE 4.43Å; L29-M104 HydrophobicContact CD1-CG 4.4Å; L29-M104 HydrophobicContact CD1-SD 4.03Å |
| 30 | T | 86.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | L26 V27 T32 G33 V36 S101 M104 A105 | L26-T30 WeakPolarHBondContact O-CG2 3.45Å; L26-T30 PolarHBondContact O-N 3.16Å; V27-T30 WeakPolarHBondContact CA-OG1 3.41Å; V27-T30 PolarHBondContact O-N 2.94Å; V27-T30 VanDerWaalsContact O-N 3.15Å; V27-T30 PolarHBondContact O-OG1 2.95Å; T30-T32 PolarHBondContact O-N 3.2Å; T30-G33 PolarHBondContact O-N 3.42Å; T30-V36 VanDerWaalsContact O-CG2 3.32Å; T30-V36 WeakPolarHBondContact O-CG2 3.32Å; T30-S101 PolarHBondContact O-OG 3.34Å; T30-M104 HydrophobicContact CG2-CB 4.13Å; T30-A105 HydrophobicContact CG2-CB 3.51Å; T30-A105 VanDerWaalsContact CG2-N 3.28Å |
| 31 | L | 86.1 | Confident | 85.6 | Confident | 73 Ų | 73 | 57 Ų | 57 | 38% | 0.382 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9 | -177.8 | -98.3 | 62.6 | 0 | 0 | 0 | 113.9 | V27 S28 G33 V36 Y40 L41 | V27-L31 HydrophobicContact CG1-CD1 4.09Å; V27-L31 WeakPolarHBondContact O-CD1 3.27Å; V27-L31 PolarHBondContact O-N 2.72Å; S28-L31 PolarHBondContact O-N 2.8Å; L31-G33 PolarHBondContact O-N 2.95Å; L31-V36 HydrophobicContact CD1-CG1 4.41Å; L31-Y40 HydrophobicContact CD1-CD1 4.5Å; L31-L41 HydrophobicContact CD2-CD1 3.66Å; L31-L41 HydrophobicContact CD2-CG 4.35Å; L31-L41 HydrophobicContact CG-CD1 4.37Å |
| 32 | T | 85.1 | Confident | 85.5 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.4 | 175.1 | 68 | 0 | 0 | 0 | 0 | 113.3 | L29 T30 | L29-T32 PolarHBondContact O-OG1 3.42Å; T30-T32 PolarHBondContact O-N 3.2Å |
| 33 | G | 80.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -84.1 | 138.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | T30 L31 W35 V36 S101 | T30-G33 PolarHBondContact O-N 3.42Å; L31-G33 PolarHBondContact O-N 2.95Å; G33-W35 PolarHBondContact O-N 3.48Å; G33-V36 WeakPolarHBondContact O-CG2 3.36Å; G33-V36 PolarHBondContact O-N 3.26Å; G33-S101 WeakPolarHBondContact CA-OG 3.39Å; G33-S101 PolarHBondContact N-OG 2.96Å |
| 34 | Y | 77.4 | Confident | 85.4 | Confident | 221 Ų | 221 | 58.3 Ų | 58.3 | 87% | 0.867 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -17.2 | 178.1 | -168.8 | -98.5 | 0 | 0 | 0 | 112.1 | V36 D98 | Y34-V36 PolarHBondContact O-N 3.25Å; Y34-D98 PolarHBondContact N-OD1 2.6Å |
| 35 | W | 77.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 55 Ų | 55 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.5 | 177.9 | 71.2 | -85.8 | 0 | 0 | 0 | 113.9 | G33 P37 M84 R87 S101 L102 A105 | G33-W35 PolarHBondContact O-N 3.48Å; W35-P37 VanDerWaalsContact O-CD 3.23Å; W35-P37 WeakPolarHBondContact O-CD 3.43Å; W35-M84 HydrophobicContact CH2-CG 4.07Å; W35-M84 HydrophobicContact CZ3-CG 4.32Å; W35-R87 PolarHBondContact O-NH2 3.23Å; W35-S101 PolarHBondContact NE1-OG 3.44Å; W35-L102 HydrophobicContact CH2-CD1 3.88Å; W35-L102 HydrophobicContact CZ2-CB 4.27Å; W35-L102 HydrophobicContact CZ2-CD1 3.93Å; W35-L102 HydrophobicContact CZ3-CD1 4.28Å; W35-A105 HydrophobicContact CH2-CB 3.96Å; W35-A105 HydrophobicContact CZ2-CB 3.88Å |
| 36 | V | 78.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 54 Ų | 54 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | trans | -75.8 | 111.8 | -170.6 | -177.7 | 0 | 0 | 0 | 0 | 111 | T30 L31 G33 Y34 Y40 | T30-V36 VanDerWaalsContact O-CG2 3.32Å; T30-V36 WeakPolarHBondContact O-CG2 3.32Å; L31-V36 HydrophobicContact CD1-CG1 4.41Å; G33-V36 WeakPolarHBondContact O-CG2 3.36Å; G33-V36 PolarHBondContact O-N 3.26Å; Y34-V36 PolarHBondContact O-N 3.25Å; V36-Y40 HydrophobicContact CG1-CD1 3.43Å; V36-Y40 VanDerWaalsContact CG1-CD1 3.43Å; V36-Y40 HydrophobicContact CG1-CE1 4.38Å; V36-Y40 HydrophobicContact CG1-CG 3.9Å | ||
| 37 | P | 81.7 | Confident | 85.2 | Confident | 24 Ų | 24 | 53 Ų | 53 | 16% | 0.156 | 28% | 0.282 | C | S | . | . | trans | -72.1 | 154.2 | 175.2 | 31.8 | -34.6 | 0 | 0 | 0 | 110.8 | W35 S39 Y40 L41 I83 R87 | W35-P37 VanDerWaalsContact O-CD 3.23Å; W35-P37 WeakPolarHBondContact O-CD 3.43Å; P37-S39 WeakPolarHBondContact CB-OG 3.49Å; P37-S39 WeakPolarHBondContact CG-OG 3.39Å; P37-S39 PolarHBondContact O-N 2.77Å; P37-Y40 WeakPolarHBondContact O-CB 3.25Å; P37-Y40 PolarHBondContact O-N 3.12Å; P37-L41 PolarHBondContact O-N 3.48Å; P37-I83 HydrophobicContact CG-CG2 3.82Å; P37-R87 HydrophobicContact CG-CG 4.46Å | ||
| 38 | L | 85 | Confident | 85.2 | Confident | 145 Ų | 145 | 54 Ų | 54 | 76% | 0.759 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -54.9 | -28.6 | 174.2 | -169.8 | 69.4 | 0 | 0 | 0 | 112.6 | Y40 L41 F42 | L38-Y40 VanDerWaalsContact C-N 3.33Å; L38-Y40 PolarHBondContact O-N 2.85Å; L38-L41 WeakPolarHBondContact O-CB 3.35Å; L38-L41 PolarHBondContact O-N 2.86Å; L38-F42 PolarHBondContact O-N 3.36Å |
| 39 | S | 85.6 | Confident | 85.3 | Confident | 62 Ų | 62 | 54 Ų | 54 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 174.2 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | P37 F42 V43 | P37-S39 WeakPolarHBondContact CB-OG 3.49Å; P37-S39 WeakPolarHBondContact CG-OG 3.39Å; P37-S39 PolarHBondContact O-N 2.77Å; S39-F42 PolarHBondContact O-N 3.39Å; S39-V43 WeakPolarHBondContact O-CG2 3.26Å; S39-V43 PolarHBondContact O-N 3.33Å |
| 40 | Y | 84.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 175.2 | -174.1 | -99.6 | 0 | 0 | 0 | 110.5 | L31 V36 P37 L38 F42 V43 N44 I83 | L31-Y40 HydrophobicContact CD1-CD1 4.5Å; V36-Y40 HydrophobicContact CG1-CD1 3.43Å; V36-Y40 VanDerWaalsContact CG1-CD1 3.43Å; V36-Y40 HydrophobicContact CG1-CE1 4.38Å; V36-Y40 HydrophobicContact CG1-CG 3.9Å; P37-Y40 WeakPolarHBondContact O-CB 3.25Å; P37-Y40 PolarHBondContact O-N 3.12Å; L38-Y40 VanDerWaalsContact C-N 3.33Å; L38-Y40 PolarHBondContact O-N 2.85Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.3Å; Y40-V43 PolarHBondContact O-N 2.92Å; Y40-N44 WeakPolarHBondContact CD1-ND2 3.41Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.43Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.4Å; Y40-N44 WeakPolarHBondContact O-CB 3.33Å; Y40-N44 PolarHBondContact O-N 3.47Å; Y40-N44 PolarHBondContact O-ND2 2.92Å; Y40-I83 HydrophobicContact CD2-CB 4.49Å; Y40-I83 HydrophobicContact CD2-CG2 3.97Å |
| 41 | L | 86.4 | Confident | 85.2 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 175.7 | -173.3 | 151.5 | 0 | 0 | 0 | 110.5 | L31 P37 L38 V43 N44 S45 | L31-L41 HydrophobicContact CD2-CD1 3.66Å; L31-L41 HydrophobicContact CD2-CG 4.35Å; L31-L41 HydrophobicContact CG-CD1 4.37Å; P37-L41 PolarHBondContact O-N 3.48Å; L38-L41 WeakPolarHBondContact O-CB 3.35Å; L38-L41 PolarHBondContact O-N 2.86Å; L41-V43 PolarHBondContact O-N 2.92Å; L41-N44 PolarHBondContact O-N 3.05Å; L41-S45 WeakPolarHBondContact O-CB 3.37Å; L41-S45 PolarHBondContact O-N 3.22Å; L41-S45 PolarHBondContact O-OG 2.96Å |
| 42 | F | 88.6 | Confident | 85.3 | Confident | 143 Ų | 143 | 55.1 Ų | 55.1 | 63% | 0.627 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.1 | -47.8 | 178.3 | -176.5 | -101.5 | 0 | 0 | 0 | 112.8 | L38 S39 Y40 N44 S45 V46 | L38-F42 PolarHBondContact O-N 3.36Å; S39-F42 PolarHBondContact O-N 3.39Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.3Å; F42-N44 VanDerWaalsContact C-N 3.32Å; F42-N44 PolarHBondContact O-N 3.11Å; F42-S45 WeakPolarHBondContact O-CB 3.37Å; F42-S45 PolarHBondContact O-N 3.34Å; F42-V46 HydrophobicContact CD1-CG2 4.43Å; F42-V46 HydrophobicContact CE1-CG2 4.07Å; F42-V46 HydrophobicContact CE2-CG2 4.45Å; F42-V46 HydrophobicContact CZ-CG2 4.08Å; F42-V46 WeakPolarHBondContact O-CG2 3.36Å; F42-V46 PolarHBondContact O-N 3.5Å |
| 43 | V | 87.2 | Confident | 85.4 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 179 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | S39 Y40 L41 V46 F47 C76 M79 D80 I83 | S39-V43 WeakPolarHBondContact O-CG2 3.26Å; S39-V43 PolarHBondContact O-N 3.33Å; Y40-V43 PolarHBondContact O-N 2.92Å; L41-V43 PolarHBondContact O-N 2.92Å; V43-V46 PolarHBondContact O-N 3.37Å; V43-F47 WeakPolarHBondContact O-CB 3.47Å; V43-F47 PolarHBondContact O-N 3.49Å; V43-C76 HydrophobicContact CG1-CB 4.07Å; V43-M79 HydrophobicContact CG1-CB 4.05Å; V43-M79 HydrophobicContact CG2-CB 4.23Å; V43-D80 WeakPolarHBondContact CG1-OD1 3.45Å; V43-I83 HydrophobicContact CG2-CD1 4.11Å |
| 44 | N | 87.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 176.3 | -81.8 | -72.1 | 0 | 0 | 0 | 113.2 | V27 Y40 L41 F42 F47 L48 R112 | V27-N44 HydrophobicContact CG1-CB 4.07Å; V27-N44 HydrophobicContact CG2-CB 4.22Å; V27-N44 WeakPolarHBondContact CG2-OD1 3.32Å; Y40-N44 WeakPolarHBondContact CD1-ND2 3.41Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.43Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.4Å; Y40-N44 WeakPolarHBondContact O-CB 3.33Å; Y40-N44 PolarHBondContact O-N 3.47Å; Y40-N44 PolarHBondContact O-ND2 2.92Å; L41-N44 PolarHBondContact O-N 3.05Å; F42-N44 VanDerWaalsContact C-N 3.32Å; F42-N44 PolarHBondContact O-N 3.11Å; N44-F47 WeakPolarHBondContact O-CB 3.36Å; N44-F47 PolarHBondContact O-N 3.37Å; N44-L48 WeakPolarHBondContact O-CG 3.06Å; N44-L48 PolarHBondContact O-N 2.93Å; N44-R112 PolarHBondContact OD1-NH2 3.18Å |
| 45 | S | 87.8 | Confident | 85.7 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | L41 F42 F47 L48 A49 | L41-S45 WeakPolarHBondContact O-CB 3.37Å; L41-S45 PolarHBondContact O-N 3.22Å; L41-S45 PolarHBondContact O-OG 2.96Å; F42-S45 WeakPolarHBondContact O-CB 3.37Å; F42-S45 PolarHBondContact O-N 3.34Å; S45-F47 VanDerWaalsContact C-N 3.3Å; S45-F47 PolarHBondContact O-N 3.04Å; S45-L48 PolarHBondContact O-N 3.14Å; S45-A49 WeakPolarHBondContact O-CB 3.4Å; S45-A49 PolarHBondContact O-N 3.02Å |
| 46 | V | 89.5 | Confident | 86 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F42 V43 A49 S50 | F42-V46 HydrophobicContact CD1-CG2 4.43Å; F42-V46 HydrophobicContact CE1-CG2 4.07Å; F42-V46 HydrophobicContact CE2-CG2 4.45Å; F42-V46 HydrophobicContact CZ-CG2 4.08Å; F42-V46 WeakPolarHBondContact O-CG2 3.36Å; F42-V46 PolarHBondContact O-N 3.5Å; V43-V46 PolarHBondContact O-N 3.37Å; V46-A49 PolarHBondContact O-N 3.43Å; V46-S50 VanDerWaalsContact O-CB 3.3Å; V46-S50 WeakPolarHBondContact O-CB 3.37Å; V46-S50 PolarHBondContact O-N 3.5Å |
| 47 | F | 87.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 174.2 | 168.5 | -94.3 | 0 | 0 | 0 | 112.4 | H23 V43 N44 S45 A49 S50 L51 Q73 C76 R112 | H23-F47 HydrophobicContact CB-CE1 4.02Å; H23-F47 AromaticContact CD2-CE1 3.34Å; H23-F47 WeakPolarHBondContact CD2-CE1 3.38Å; H23-F47 AromaticContact CD2-CZ 3.42Å; H23-F47 VanDerWaalsContact CD2-CZ 3.42Å; H23-F47 WeakPolarHBondContact CD2-CZ 3.44Å; H23-F47 AromaticContact CG-CE1 3.73Å; H23-F47 AromaticContact NE2-CE1 3.95Å; H23-F47 AromaticContact NE2-CZ 3.51Å; V43-F47 WeakPolarHBondContact O-CB 3.47Å; V43-F47 PolarHBondContact O-N 3.49Å; N44-F47 WeakPolarHBondContact O-CB 3.36Å; N44-F47 PolarHBondContact O-N 3.37Å; S45-F47 VanDerWaalsContact C-N 3.3Å; S45-F47 PolarHBondContact O-N 3.04Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 3.47Å; F47-S50 WeakPolarHBondContact O-CB 3.28Å; F47-S50 PolarHBondContact O-N 3.26Å; F47-L51 HydrophobicContact CE1-CD2 4.45Å; F47-L51 WeakPolarHBondContact O-CB 3.49Å; F47-L51 PolarHBondContact O-N 3.03Å; F47-Q73 VanDerWaalsContact CD2-CD 3.43Å; F47-Q73 VanDerWaalsContact CE2-OE1 3.28Å; F47-C76 HydrophobicContact CB-CB 4.17Å; F47-C76 HydrophobicContact CD2-CB 4.34Å; F47-R112 HydrophobicContact CE2-CG 4.11Å; F47-R112 HydrophobicContact CZ-CG 4.23Å; F47-R112 VanDerWaalsContact CZ-NH1 3.3Å |
| 48 | L | 89.2 | Confident | 85.6 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 178.9 | -73 | 174.9 | 0 | 0 | 0 | 111.4 | H23 F24 N44 S45 L51 F52 | H23-L48 HydrophobicContact CB-CD2 4.2Å; F24-L48 HydrophobicContact CD2-CD1 4.24Å; N44-L48 WeakPolarHBondContact O-CG 3.06Å; N44-L48 PolarHBondContact O-N 2.93Å; S45-L48 PolarHBondContact O-N 3.14Å; L48-L51 PolarHBondContact O-N 3.06Å; L48-F52 WeakPolarHBondContact O-CB 3.44Å; L48-F52 PolarHBondContact O-N 2.79Å |
| 49 | A | 90.1 | Very high | 84.6 | Confident | 60 Ų | 60 | 55 Ų | 55 | 50% | 0.496 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | S45 V46 F47 F52 W53 | S45-A49 WeakPolarHBondContact O-CB 3.4Å; S45-A49 PolarHBondContact O-N 3.02Å; V46-A49 PolarHBondContact O-N 3.43Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 3.47Å; A49-F52 PolarHBondContact O-N 3.38Å; A49-W53 WeakPolarHBondContact O-CB 3.09Å; A49-W53 PolarHBondContact O-N 2.94Å |
| 50 | S | 88 | Confident | 83.6 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 174.8 | 176 | 0 | 0 | 0 | 0 | 112.2 | V46 F47 W53 A54 P69 | V46-S50 VanDerWaalsContact O-CB 3.3Å; V46-S50 WeakPolarHBondContact O-CB 3.37Å; V46-S50 PolarHBondContact O-N 3.5Å; F47-S50 WeakPolarHBondContact O-CB 3.28Å; F47-S50 PolarHBondContact O-N 3.26Å; S50-W53 WeakPolarHBondContact O-CB 3.36Å; S50-W53 PolarHBondContact O-N 3.3Å; S50-A54 WeakPolarHBondContact O-CB 3.45Å; S50-A54 PolarHBondContact O-N 2.86Å; S50-P69 PolarHBondContact OG-O 3.24Å |
| 51 | L | 85.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 176.7 | -171.6 | 62.8 | 0 | 0 | 0 | 111.2 | L20 F47 L48 W53 A54 Q55 | L20-L51 HydrophobicContact CB-CD2 3.82Å; L20-L51 HydrophobicContact CB-CG 4.5Å; L20-L51 HydrophobicContact CD1-CD2 4.4Å; L20-L51 HydrophobicContact CD1-CG 4.37Å; L20-L51 HydrophobicContact CG-CD2 4.07Å; F47-L51 HydrophobicContact CE1-CD2 4.45Å; F47-L51 WeakPolarHBondContact O-CB 3.49Å; F47-L51 PolarHBondContact O-N 3.03Å; L48-L51 PolarHBondContact O-N 3.06Å; L51-W53 VanDerWaalsContact C-N 3.33Å; L51-A54 PolarHBondContact O-N 3.11Å; L51-Q55 WeakPolarHBondContact O-CG 3.32Å; L51-Q55 PolarHBondContact O-N 3.23Å |
| 52 | F | 88.3 | Confident | 82.1 | Confident | 140 Ų | 140 | 58.4 Ų | 58.4 | 61% | 0.614 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 173.9 | -173.9 | -98.4 | 0 | 0 | 0 | 111.5 | L48 A49 A54 Q55 S56 | L48-F52 WeakPolarHBondContact O-CB 3.44Å; L48-F52 PolarHBondContact O-N 2.79Å; A49-F52 PolarHBondContact O-N 3.38Å; F52-A54 PolarHBondContact O-N 3.08Å; F52-Q55 WeakPolarHBondContact O-CB 3.29Å; F52-Q55 PolarHBondContact O-N 3.07Å; F52-Q55 VanDerWaalsContact O-N 3.16Å; F52-S56 PolarHBondContact O-N 2.91Å; F52-S56 VanDerWaalsContact O-N 3.08Å |
| 53 | W | 87.1 | Confident | 81.4 | Confident | 161 Ų | 161 | 52.8 Ų | 52.8 | 61% | 0.61 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57 | -49.7 | 172.4 | -171.9 | -88.7 | 0 | 0 | 0 | 110.9 | A49 S50 L51 Q55 S56 L57 | A49-W53 WeakPolarHBondContact O-CB 3.09Å; A49-W53 PolarHBondContact O-N 2.94Å; S50-W53 WeakPolarHBondContact O-CB 3.36Å; S50-W53 PolarHBondContact O-N 3.3Å; L51-W53 VanDerWaalsContact C-N 3.33Å; W53-Q55 PolarHBondContact O-N 3.39Å; W53-S56 WeakPolarHBondContact O-CB 3.5Å; W53-S56 PolarHBondContact O-N 3.39Å; W53-L57 HydrophobicContact CG-CD1 4.3Å; W53-L57 WeakPolarHBondContact O-CD1 3.37Å; W53-L57 PolarHBondContact O-N 3.37Å |
| 54 | A | 83.3 | Confident | 80.9 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -30.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S50 L51 F52 P69 L119 | S50-A54 WeakPolarHBondContact O-CB 3.45Å; S50-A54 PolarHBondContact O-N 2.86Å; L51-A54 PolarHBondContact O-N 3.11Å; F52-A54 PolarHBondContact O-N 3.08Å; A54-P69 HydrophobicContact CB-CB 3.95Å; A54-P69 HydrophobicContact CB-CG 4.19Å; A54-L119 HydrophobicContact CB-CD1 4.22Å; A54-L119 HydrophobicContact CB-CD2 3.9Å |
| 55 | Q | 82.1 | Confident | 80.5 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.4 | -33.1 | 172.9 | -70.1 | -45.3 | -73.2 | 0 | 0 | 113.4 | L16 L20 L51 F52 W53 L57 | L16-Q55 VanDerWaalsContact CB-CD 3.45Å; L16-Q55 VanDerWaalsContact CB-NE2 3.3Å; L16-Q55 VanDerWaalsContact CD1-NE2 3.28Å; L20-Q55 HydrophobicContact CD1-CG 4.29Å; L51-Q55 WeakPolarHBondContact O-CG 3.32Å; L51-Q55 PolarHBondContact O-N 3.23Å; F52-Q55 WeakPolarHBondContact O-CB 3.29Å; F52-Q55 PolarHBondContact O-N 3.07Å; F52-Q55 VanDerWaalsContact O-N 3.16Å; W53-Q55 PolarHBondContact O-N 3.39Å; Q55-L57 VanDerWaalsContact C-N 3.26Å; Q55-L57 PolarHBondContact O-N 3.43Å |
| 56 | S | 83.7 | Confident | 80.1 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 54% | 0.538 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.1 | -20.5 | 179.8 | -163.3 | 0 | 0 | 0 | 0 | 112.5 | F52 W53 N58 | F52-S56 PolarHBondContact O-N 2.91Å; F52-S56 VanDerWaalsContact O-N 3.08Å; W53-S56 WeakPolarHBondContact O-CB 3.5Å; W53-S56 PolarHBondContact O-N 3.39Å; S56-N58 PolarHBondContact O-N 3.3Å; S56-N58 VanDerWaalsContact O-N 3.11Å |
| 57 | L | 81.2 | Confident | 79.8 | Confident | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | trans | -68.4 | 108.7 | -179.9 | -93.7 | 72 | 0 | 0 | 0 | 111.7 | W53 Q55 A65 L66 R126 | W53-L57 HydrophobicContact CG-CD1 4.3Å; W53-L57 WeakPolarHBondContact O-CD1 3.37Å; W53-L57 PolarHBondContact O-N 3.37Å; Q55-L57 VanDerWaalsContact C-N 3.26Å; Q55-L57 PolarHBondContact O-N 3.43Å; L57-A65 VanDerWaalsContact CD2-C 3.43Å; L57-A65 HydrophobicContact CD2-CB 3.55Å; L57-A65 WeakPolarHBondContact CD2-O 3.12Å; L57-A65 HydrophobicContact CG-CB 4.45Å; L57-L66 HydrophobicContact CB-CD2 4.39Å; L57-L66 HydrophobicContact CD2-CD2 3.83Å; L57-L66 HydrophobicContact CD2-CG 4.07Å; L57-R126 PolarHBondContact O-NH2 2.58Å | ||
| 58 | N | 69.5 | Low | 79.7 | Confident | 119 Ų | 119 | 58.4 Ų | 58.4 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | trans | -69.5 | 160.6 | 179.2 | -72.3 | -50.5 | 0 | 0 | 0 | 111.3 | S56 G60 D61 R126 | S56-N58 PolarHBondContact O-N 3.3Å; S56-N58 VanDerWaalsContact O-N 3.11Å; N58-G60 PolarHBondContact O-N 3.33Å; N58-G60 VanDerWaalsContact O-N 3.12Å; N58-D61 PolarHBondContact N-OD2 3Å; N58-D61 PolarHBondContact O-N 3.26Å; N58-R126 PolarHBondContact O-NH1 2.78Å; N58-R126 PolarHBondContact O-NH2 3.45Å | ||
| 59 | D | 64.6 | Low | 79.5 | Confident | 77 Ų | 77 | 56.9 Ų | 56.9 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.2 | 179.3 | -74.1 | -29.2 | 0 | 0 | 0 | 114.3 | K9 D61 R126 | K9-D59 WeakPolarHBondContact CD-OD2 3.38Å; K9-D59 WeakPolarHBondContact CE-OD2 3.3Å; K9-D59 IonicContact NZ-OD2 3.78Å; K9-D59 PolarHBondContact NZ-OD2 2.94Å; D59-D61 VanDerWaalsContact C-N 3.35Å; D59-R126 IonicContact OD1-CZ 3.23Å; D59-R126 IonicContact OD1-NE 2.72Å; D59-R126 PolarHBondContact OD1-NE 2.87Å; D59-R126 IonicContact OD1-NH2 2.9Å; D59-R126 PolarHBondContact OD1-NH2 3.49Å |
| 60 | G | 63.2 | Low | 79.3 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 73% | 0.732 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -17.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N58 | N58-G60 PolarHBondContact O-N 3.33Å; N58-G60 VanDerWaalsContact O-N 3.12Å |
| 61 | D | 68.8 | Low | 79.2 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -67.5 | 146.9 | -176.3 | -73.1 | -28.9 | 0 | 0 | 0 | 111.4 | N58 D59 A65 | N58-D61 PolarHBondContact N-OD2 3Å; N58-D61 PolarHBondContact O-N 3.26Å; D59-D61 VanDerWaalsContact C-N 3.35Å; D61-A65 HydrophobicContact CB-CB 4.2Å |
| 62 | S | 72.3 | Confident | 79.3 | Confident | 68 Ų | 68 | 65.6 Ų | 65.6 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | trans | -54.3 | 144.6 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | A64 A65 | S62-A64 PolarHBondContact O-N 3.48Å; S62-A64 VanDerWaalsContact O-N 3.08Å; S62-A64 PolarHBondContact OG-N 3.49Å; S62-A65 VanDerWaalsContact O-CB 3.25Å; S62-A65 WeakPolarHBondContact O-CB 3.25Å; S62-A65 PolarHBondContact O-N 3.03Å | ||
| 63 | I | 73 | Confident | 79.2 | Confident | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -57.4 | -27.7 | 175.3 | -63 | 165.2 | 0 | 0 | 0 | 110.2 | A65 L66 R123 R126 Y127 K130 | I63-A65 VanDerWaalsContact C-N 3.29Å; I63-A65 PolarHBondContact O-N 3.23Å; I63-L66 PolarHBondContact O-N 3.18Å; I63-R123 HydrophobicContact CG2-CG 3.95Å; I63-R126 HydrophobicContact CG1-CB 4.48Å; I63-Y127 HydrophobicContact CD1-CD2 3.94Å; I63-Y127 HydrophobicContact CD1-CG 4.44Å; I63-K130 HydrophobicContact CD1-CD 3.78Å; I63-K130 HydrophobicContact CD1-CG 4.43Å; I63-K130 HydrophobicContact CG1-CD 4.32Å |
| 64 | A | 77.3 | Confident | 79.1 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -62.2 | -32.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | S62 L66 M67 | S62-A64 PolarHBondContact O-N 3.48Å; S62-A64 VanDerWaalsContact O-N 3.08Å; S62-A64 PolarHBondContact OG-N 3.49Å; A64-L66 PolarHBondContact O-N 2.94Å; A64-M67 WeakPolarHBondContact O-CB 3.4Å; A64-M67 PolarHBondContact O-N 3.33Å; A64-M67 VanDerWaalsContact O-N 3.07Å |
| 65 | A | 78.8 | Confident | 79.3 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -65.3 | -29.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L57 D61 S62 I63 M67 P69 | L57-A65 VanDerWaalsContact CD2-C 3.43Å; L57-A65 HydrophobicContact CD2-CB 3.55Å; L57-A65 WeakPolarHBondContact CD2-O 3.12Å; L57-A65 HydrophobicContact CG-CB 4.45Å; D61-A65 HydrophobicContact CB-CB 4.2Å; S62-A65 VanDerWaalsContact O-CB 3.25Å; S62-A65 WeakPolarHBondContact O-CB 3.25Å; S62-A65 PolarHBondContact O-N 3.03Å; I63-A65 VanDerWaalsContact C-N 3.29Å; I63-A65 PolarHBondContact O-N 3.23Å; A65-M67 VanDerWaalsContact C-N 3.34Å; A65-P69 WeakPolarHBondContact O-CD 3.41Å |
| 66 | L | 79.7 | Confident | 79.5 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -77.7 | -14.4 | 175.7 | -71.1 | 168.8 | 0 | 0 | 0 | 113.7 | L57 I63 A64 P69 L70 R123 | L57-L66 HydrophobicContact CB-CD2 4.39Å; L57-L66 HydrophobicContact CD2-CD2 3.83Å; L57-L66 HydrophobicContact CD2-CG 4.07Å; I63-L66 PolarHBondContact O-N 3.18Å; A64-L66 PolarHBondContact O-N 2.94Å; L66-P69 WeakPolarHBondContact O-CG 3.39Å; L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 PolarHBondContact O-N 3.45Å; L66-R123 HydrophobicContact CD1-CB 4.18Å; L66-R123 HydrophobicContact CD1-CG 4.48Å |
| 67 | M | 82.9 | Confident | 79.6 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 22% | 0.222 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.2 | -41.1 | -179.1 | -65.4 | -65.4 | 92.8 | 0 | 0 | 112 | A64 A65 L70 Q71 R123 | A64-M67 WeakPolarHBondContact O-CB 3.4Å; A64-M67 PolarHBondContact O-N 3.33Å; A64-M67 VanDerWaalsContact O-N 3.07Å; A65-M67 VanDerWaalsContact C-N 3.34Å; M67-L70 HydrophobicContact CE-CD2 4.28Å; M67-L70 PolarHBondContact O-N 3.02Å; M67-Q71 WeakPolarHBondContact O-CG 3.45Å; M67-Q71 PolarHBondContact O-N 3.26Å; M67-R123 HydrophobicContact CE-CG 3.71Å; M67-R123 VanDerWaalsContact SD-CZ 3.55Å; M67-R123 PolarHBondContact SD-NH2 2.93Å; M67-R123 VanDerWaalsContact SD-NH2 3.36Å |
| 68 | L | 84.9 | Confident | 79.9 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -54.7 | -178.4 | -173.2 | 65.6 | 0 | 0 | 0 | 112.8 | L70 Q71 F72 | L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 PolarHBondContact O-N 3.08Å; L68-Q71 PolarHBondContact O-N 3.16Å; L68-F72 HydrophobicContact CD1-CD2 4.04Å; L68-F72 HydrophobicContact CD1-CE2 3.6Å; L68-F72 HydrophobicContact CD2-CE2 4.38Å; L68-F72 HydrophobicContact CG-CD2 3.97Å; L68-F72 HydrophobicContact CG-CE2 3.78Å; L68-F72 VanDerWaalsContact O-CD2 3.29Å; L68-F72 WeakPolarHBondContact O-CD2 3.38Å; L68-F72 PolarHBondContact O-N 2.87Å |
| 69 | P | 84.4 | Confident | 80.7 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 177.2 | 23.1 | -32.3 | 0 | 0 | 0 | 111.5 | S50 A54 A65 L66 Q71 F72 Q73 | S50-P69 PolarHBondContact OG-O 3.24Å; A54-P69 HydrophobicContact CB-CB 3.95Å; A54-P69 HydrophobicContact CB-CG 4.19Å; A65-P69 WeakPolarHBondContact O-CD 3.41Å; L66-P69 WeakPolarHBondContact O-CG 3.39Å; P69-Q71 VanDerWaalsContact C-N 3.35Å; P69-Q71 PolarHBondContact O-N 2.68Å; P69-F72 PolarHBondContact O-N 2.96Å; P69-Q73 VanDerWaalsContact O-CG 3.28Å; P69-Q73 WeakPolarHBondContact O-CG 3.47Å; P69-Q73 PolarHBondContact O-N 3.25Å |
| 70 | L | 85.6 | Confident | 81.7 | Confident | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.6 | -172.6 | 68.6 | 0 | 0 | 0 | 112.4 | L66 M67 L68 Q73 A74 L119 | L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 PolarHBondContact O-N 3.45Å; M67-L70 HydrophobicContact CE-CD2 4.28Å; M67-L70 PolarHBondContact O-N 3.02Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 PolarHBondContact O-N 3.08Å; L70-Q73 PolarHBondContact O-N 3.32Å; L70-A74 PolarHBondContact O-N 3.22Å; L70-A74 VanDerWaalsContact O-N 3.14Å; L70-L119 HydrophobicContact CD1-CB 4.3Å |
| 71 | Q | 87.1 | Confident | 82.8 | Confident | 128 Ų | 128 | 54 Ų | 54 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 175.1 | -74.2 | 171.8 | -23.7 | 0 | 0 | 111.6 | M67 L68 P69 Q73 A74 F75 | M67-Q71 WeakPolarHBondContact O-CG 3.45Å; M67-Q71 PolarHBondContact O-N 3.26Å; L68-Q71 PolarHBondContact O-N 3.16Å; P69-Q71 VanDerWaalsContact C-N 3.35Å; P69-Q71 PolarHBondContact O-N 2.68Å; Q71-Q73 PolarHBondContact O-N 3.32Å; Q71-A74 PolarHBondContact O-N 3.42Å; Q71-F75 PolarHBondContact O-N 3.48Å |
| 72 | F | 87.3 | Confident | 83.6 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 174.1 | -84.6 | -67.9 | 0 | 0 | 0 | 112.2 | L68 P69 A74 F75 C76 | L68-F72 HydrophobicContact CD1-CD2 4.04Å; L68-F72 HydrophobicContact CD1-CE2 3.6Å; L68-F72 HydrophobicContact CD2-CE2 4.38Å; L68-F72 HydrophobicContact CG-CD2 3.97Å; L68-F72 HydrophobicContact CG-CE2 3.78Å; L68-F72 VanDerWaalsContact O-CD2 3.29Å; L68-F72 WeakPolarHBondContact O-CD2 3.38Å; L68-F72 PolarHBondContact O-N 2.87Å; P69-F72 PolarHBondContact O-N 2.96Å; F72-A74 VanDerWaalsContact C-N 3.31Å; F72-A74 PolarHBondContact O-N 2.87Å; F72-F75 PolarHBondContact O-N 3.26Å; F72-C76 WeakPolarHBondContact O-CB 3.42Å; F72-C76 PolarHBondContact O-N 3.4Å; F72-C76 PolarHBondContact O-SG 2.99Å |
| 73 | Q | 85.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.3 | -64.8 | -60 | 69.4 | 0 | 0 | 111.6 | F47 P69 L70 Q71 F77 L119 | F47-Q73 VanDerWaalsContact CD2-CD 3.43Å; F47-Q73 VanDerWaalsContact CE2-OE1 3.28Å; P69-Q73 VanDerWaalsContact O-CG 3.28Å; P69-Q73 WeakPolarHBondContact O-CG 3.47Å; P69-Q73 PolarHBondContact O-N 3.25Å; L70-Q73 PolarHBondContact O-N 3.32Å; Q71-Q73 PolarHBondContact O-N 3.32Å; Q73-F77 WeakPolarHBondContact O-CB 3.34Å; Q73-F77 PolarHBondContact O-N 3.43Å; Q73-L119 HydrophobicContact CG-CD1 4.28Å |
| 74 | A | 86.4 | Confident | 84.5 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L70 Q71 F72 F77 L78 | L70-A74 PolarHBondContact O-N 3.22Å; L70-A74 VanDerWaalsContact O-N 3.14Å; Q71-A74 PolarHBondContact O-N 3.42Å; F72-A74 VanDerWaalsContact C-N 3.31Å; F72-A74 PolarHBondContact O-N 2.87Å; A74-F77 WeakPolarHBondContact O-CB 3.47Å; A74-F77 PolarHBondContact O-N 3.11Å; A74-L78 WeakPolarHBondContact O-CG 3.35Å; A74-L78 PolarHBondContact O-N 3.4Å; A74-L78 VanDerWaalsContact O-N 3.11Å |
| 75 | F | 87.9 | Confident | 84.7 | Confident | 115 Ų | 115 | 52.5 Ų | 52.5 | 50% | 0.504 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 176.7 | -178.6 | -98 | 0 | 0 | 0 | 112.1 | Q71 F72 F77 L78 M79 | Q71-F75 PolarHBondContact O-N 3.48Å; F72-F75 PolarHBondContact O-N 3.26Å; F75-F77 VanDerWaalsContact C-N 3.31Å; F75-F77 PolarHBondContact O-N 3.48Å; F75-L78 PolarHBondContact O-N 3.39Å; F75-M79 HydrophobicContact CD1-CG 4.25Å; F75-M79 HydrophobicContact CE1-CE 4.11Å; F75-M79 HydrophobicContact CE1-CG 3.83Å; F75-M79 HydrophobicContact CE2-CE 3.7Å; F75-M79 HydrophobicContact CE2-CG 4.48Å; F75-M79 HydrophobicContact CZ-CE 3.32Å; F75-M79 HydrophobicContact CZ-CG 3.98Å; F75-M79 PolarHBondContact O-N 2.94Å |
| 76 | C | 86 | Confident | 84.6 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.5 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | V43 F47 F72 L78 M79 D80 | V43-C76 HydrophobicContact CG1-CB 4.07Å; F47-C76 HydrophobicContact CB-CB 4.17Å; F47-C76 HydrophobicContact CD2-CB 4.34Å; F72-C76 WeakPolarHBondContact O-CB 3.42Å; F72-C76 PolarHBondContact O-N 3.4Å; F72-C76 PolarHBondContact O-SG 2.99Å; C76-L78 PolarHBondContact O-N 2.94Å; C76-M79 PolarHBondContact O-N 3.34Å; C76-D80 WeakPolarHBondContact O-CB 3.41Å; C76-D80 PolarHBondContact O-N 3.14Å |
| 77 | F | 85.7 | Confident | 84.2 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 174.8 | 171.8 | -100.8 | 0 | 0 | 0 | 112.3 | Q73 A74 F75 I81 L109 R112 P113 | Q73-F77 WeakPolarHBondContact O-CB 3.34Å; Q73-F77 PolarHBondContact O-N 3.43Å; A74-F77 WeakPolarHBondContact O-CB 3.47Å; A74-F77 PolarHBondContact O-N 3.11Å; F75-F77 VanDerWaalsContact C-N 3.31Å; F75-F77 PolarHBondContact O-N 3.48Å; F77-I81 HydrophobicContact CD1-CD1 3.99Å; F77-I81 HydrophobicContact CE1-CD1 3.48Å; F77-I81 VanDerWaalsContact CE1-CD1 3.48Å; F77-I81 HydrophobicContact CE2-CD1 4.06Å; F77-I81 HydrophobicContact CG-CD1 4.48Å; F77-I81 HydrophobicContact CZ-CD1 3.53Å; F77-I81 WeakPolarHBondContact O-CG1 3.49Å; F77-I81 PolarHBondContact O-N 3.34Å; F77-L109 HydrophobicContact CD2-CD1 3.69Å; F77-L109 HydrophobicContact CD2-CG 4.26Å; F77-L109 HydrophobicContact CE2-CD1 3.85Å; F77-L109 HydrophobicContact CE2-CG 3.98Å; F77-R112 HydrophobicContact CD2-CB 4.11Å; F77-P113 HydrophobicContact CE2-CG 4.26Å |
| 78 | L | 87.8 | Confident | 83.4 | Confident | 101 Ų | 101 | 62.4 Ų | 62.4 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.6 | -70.1 | 173.5 | 0 | 0 | 0 | 111.9 | A74 F75 C76 D80 I81 I82 | A74-L78 WeakPolarHBondContact O-CG 3.35Å; A74-L78 PolarHBondContact O-N 3.4Å; A74-L78 VanDerWaalsContact O-N 3.11Å; F75-L78 PolarHBondContact O-N 3.39Å; C76-L78 PolarHBondContact O-N 2.94Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.04Å; L78-I81 PolarHBondContact O-N 3.34Å; L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 3.23Å; L78-I82 VanDerWaalsContact O-N 3.12Å |
| 79 | M | 85.6 | Confident | 82.3 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 178.9 | -76.2 | -60.7 | 177.9 | 0 | 0 | 112.3 | V43 F75 C76 I81 I82 I83 | V43-M79 HydrophobicContact CG1-CB 4.05Å; V43-M79 HydrophobicContact CG2-CB 4.23Å; F75-M79 HydrophobicContact CD1-CG 4.25Å; F75-M79 HydrophobicContact CE1-CE 4.11Å; F75-M79 HydrophobicContact CE1-CG 3.83Å; F75-M79 HydrophobicContact CE2-CE 3.7Å; F75-M79 HydrophobicContact CE2-CG 4.48Å; F75-M79 HydrophobicContact CZ-CE 3.32Å; F75-M79 HydrophobicContact CZ-CG 3.98Å; F75-M79 PolarHBondContact O-N 2.94Å; C76-M79 PolarHBondContact O-N 3.34Å; M79-I81 VanDerWaalsContact C-N 3.35Å; M79-I81 PolarHBondContact O-N 2.95Å; M79-I82 PolarHBondContact O-N 3.19Å; M79-I82 HydrophobicContact SD-CD1 4.33Å; M79-I83 VanDerWaalsContact O-CG1 3.26Å; M79-I83 WeakPolarHBondContact O-CG1 3.37Å; M79-I83 PolarHBondContact O-N 3.43Å |
| 80 | D | 85.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.5 | -96.3 | 26.8 | 0 | 0 | 0 | 112.5 | V43 C76 L78 I82 I83 M84 L109 R112 | V43-D80 WeakPolarHBondContact CG1-OD1 3.45Å; C76-D80 WeakPolarHBondContact O-CB 3.41Å; C76-D80 PolarHBondContact O-N 3.14Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.04Å; D80-I82 VanDerWaalsContact C-N 3.33Å; D80-I82 PolarHBondContact O-N 3.45Å; D80-I83 PolarHBondContact O-N 3.37Å; D80-M84 HydrophobicContact CB-CE 3.87Å; D80-M84 WeakPolarHBondContact O-CB 3.4Å; D80-M84 WeakPolarHBondContact O-CE 3.37Å; D80-M84 PolarHBondContact O-N 2.9Å; D80-L109 HydrophobicContact CB-CD1 3.69Å; D80-R112 IonicContact OD1-NH2 3.09Å; D80-R112 IonicContact OD2-CZ 3.33Å; D80-R112 IonicContact OD2-NE 2.6Å; D80-R112 PolarHBondContact OD2-NE 3.43Å; D80-R112 IonicContact OD2-NH2 2.77Å; D80-R112 PolarHBondContact OD2-NH2 2.66Å |
| 81 | I | 85.7 | Confident | 79.8 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.4 | -68.5 | 166.6 | 0 | 0 | 0 | 110.5 | F77 L78 M79 M84 G85 L109 | F77-I81 HydrophobicContact CD1-CD1 3.99Å; F77-I81 HydrophobicContact CE1-CD1 3.48Å; F77-I81 VanDerWaalsContact CE1-CD1 3.48Å; F77-I81 HydrophobicContact CE2-CD1 4.06Å; F77-I81 HydrophobicContact CG-CD1 4.48Å; F77-I81 HydrophobicContact CZ-CD1 3.53Å; F77-I81 WeakPolarHBondContact O-CG1 3.49Å; F77-I81 PolarHBondContact O-N 3.34Å; L78-I81 PolarHBondContact O-N 3.34Å; M79-I81 VanDerWaalsContact C-N 3.35Å; M79-I81 PolarHBondContact O-N 2.95Å; I81-M84 PolarHBondContact O-N 2.78Å; I81-G85 PolarHBondContact O-N 2.96Å; I81-L109 HydrophobicContact CG1-CD1 3.91Å; I81-L109 HydrophobicContact CG1-CD2 3.87Å; I81-L109 HydrophobicContact CG1-CG 4.49Å |
| 82 | I | 86.1 | Confident | 78.5 | Confident | 96 Ų | 96 | 76.4 Ų | 76.4 | 49% | 0.492 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.5 | -65.4 | 166.2 | 0 | 0 | 0 | 110.5 | L78 M79 D80 G85 T86 | L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 3.23Å; L78-I82 VanDerWaalsContact O-N 3.12Å; M79-I82 PolarHBondContact O-N 3.19Å; M79-I82 HydrophobicContact SD-CD1 4.33Å; D80-I82 VanDerWaalsContact C-N 3.33Å; D80-I82 PolarHBondContact O-N 3.45Å; I82-G85 PolarHBondContact O-N 3.32Å; I82-T86 HydrophobicContact CG2-CG2 4.28Å; I82-T86 WeakPolarHBondContact O-CB 3.3Å; I82-T86 VanDerWaalsContact O-CG2 3.25Å; I82-T86 WeakPolarHBondContact O-CG2 3.41Å; I82-T86 PolarHBondContact O-N 3.39Å; I82-T86 PolarHBondContact O-OG1 2.9Å |
| 83 | I | 83.8 | Confident | 77.4 | Confident | 16 Ų | 16 | 80.4 Ų | 80.4 | 8% | 0.082 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 179.9 | -66.8 | 165.4 | 0 | 0 | 0 | 110.8 | P37 Y40 V43 M79 D80 T86 R87 | P37-I83 HydrophobicContact CG-CG2 3.82Å; Y40-I83 HydrophobicContact CD2-CB 4.49Å; Y40-I83 HydrophobicContact CD2-CG2 3.97Å; V43-I83 HydrophobicContact CG2-CD1 4.11Å; M79-I83 VanDerWaalsContact O-CG1 3.26Å; M79-I83 WeakPolarHBondContact O-CG1 3.37Å; M79-I83 PolarHBondContact O-N 3.43Å; D80-I83 PolarHBondContact O-N 3.37Å; I83-T86 PolarHBondContact O-OG1 2.92Å; I83-R87 HydrophobicContact CG2-CG 4.5Å; I83-R87 WeakPolarHBondContact O-CB 3.4Å; I83-R87 WeakPolarHBondContact O-CG 3.26Å; I83-R87 PolarHBondContact O-N 2.88Å; I83-R87 VanDerWaalsContact O-N 3.1Å |
| 84 | M | 80.2 | Confident | 76.6 | Confident | 17 Ų | 17 | 82.4 Ų | 82.4 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 176.7 | -79.3 | 179.7 | -80.8 | 0 | 0 | 111.9 | W35 D80 I81 T86 Y88 A105 I106 L109 | W35-M84 HydrophobicContact CH2-CG 4.07Å; W35-M84 HydrophobicContact CZ3-CG 4.32Å; D80-M84 HydrophobicContact CB-CE 3.87Å; D80-M84 WeakPolarHBondContact O-CB 3.4Å; D80-M84 WeakPolarHBondContact O-CE 3.37Å; D80-M84 PolarHBondContact O-N 2.9Å; I81-M84 PolarHBondContact O-N 2.78Å; M84-T86 PolarHBondContact O-N 3.21Å; M84-Y88 WeakPolarHBondContact O-CB 3.48Å; M84-Y88 PolarHBondContact O-N 3.4Å; M84-A105 HydrophobicContact SD-CB 3.96Å; M84-I106 HydrophobicContact SD-CG1 4.45Å; M84-L109 HydrophobicContact CE-CB 3.96Å; M84-L109 HydrophobicContact CE-CD1 3.7Å; M84-L109 HydrophobicContact CE-CD2 3.75Å; M84-L109 HydrophobicContact CE-CG 3.99Å |
| 85 | G | 81.2 | Confident | 76.2 | Confident | 63 Ų | 63 | 86.4 Ų | 86.4 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.3 | -33.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I81 I82 | I81-G85 PolarHBondContact O-N 2.96Å; I82-G85 PolarHBondContact O-N 3.32Å |
| 86 | T | 78.3 | Confident | 75.9 | Confident | 99 Ų | 99 | 84.5 Ų | 84.5 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -82.4 | -32.8 | 179.6 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | I82 I83 M84 | I82-T86 HydrophobicContact CG2-CG2 4.28Å; I82-T86 WeakPolarHBondContact O-CB 3.3Å; I82-T86 VanDerWaalsContact O-CG2 3.25Å; I82-T86 WeakPolarHBondContact O-CG2 3.41Å; I82-T86 PolarHBondContact O-N 3.39Å; I82-T86 PolarHBondContact O-OG1 2.9Å; I83-T86 PolarHBondContact O-OG1 2.92Å; M84-T86 PolarHBondContact O-N 3.21Å |
| 87 | R | 70.2 | Confident | 75.8 | Confident | 107 Ų | 107 | 88.1 Ų | 88.1 | 40% | 0.404 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -95.8 | -22.9 | -172.8 | -61.7 | -69.2 | -84.3 | 98.2 | 3.1 | 113.5 | W35 P37 I83 S89 Y94 | W35-R87 PolarHBondContact O-NH2 3.23Å; P37-R87 HydrophobicContact CG-CG 4.46Å; I83-R87 HydrophobicContact CG2-CG 4.5Å; I83-R87 WeakPolarHBondContact O-CB 3.4Å; I83-R87 WeakPolarHBondContact O-CG 3.26Å; I83-R87 PolarHBondContact O-N 2.88Å; I83-R87 VanDerWaalsContact O-N 3.1Å; R87-S89 VanDerWaalsContact C-N 3.3Å; R87-S89 PolarHBondContact O-N 3.49Å; R87-S89 VanDerWaalsContact O-N 3.11Å; R87-Y94 PolarHBondContact O-OH 3.19Å |
| 88 | Y | 65.6 | Low | 75.7 | Confident | 91 Ų | 91 | 86.1 Ų | 86.1 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | trans | -86.8 | 71.8 | 174.9 | -161.4 | -106.8 | 0 | 0 | 0 | 110.9 | M84 Y94 L102 | M84-Y88 WeakPolarHBondContact O-CB 3.48Å; M84-Y88 PolarHBondContact O-N 3.4Å; Y88-Y94 HydrophobicContact CD2-CE2 4.1Å; Y88-Y94 AromaticContact CE2-CD2 4Å; Y88-Y94 HydrophobicContact CE2-CD2 4Å; Y88-Y94 AromaticContact CE2-CE2 3.74Å; Y88-Y94 HydrophobicContact CE2-CE2 3.74Å; Y88-L102 HydrophobicContact CD1-CD2 3.96Å; Y88-L102 HydrophobicContact CD2-CD1 3.67Å; Y88-L102 HydrophobicContact CD2-CD2 3.47Å; Y88-L102 VanDerWaalsContact CD2-CD2 3.47Å; Y88-L102 HydrophobicContact CD2-CG 4.09Å; Y88-L102 HydrophobicContact CE1-CD2 3.66Å; Y88-L102 HydrophobicContact CE2-CD1 4.22Å; Y88-L102 HydrophobicContact CE2-CD2 3.17Å; Y88-L102 HydrophobicContact CE2-CG 4.13Å; Y88-L102 HydrophobicContact CG-CD1 3.97Å; Y88-L102 HydrophobicContact CG-CD2 3.85Å | ||
| 89 | S | 62.2 | Low | 75.5 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | trans | -86.9 | 118.5 | 168.6 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | R87 S91 Y92 Y94 | R87-S89 VanDerWaalsContact C-N 3.3Å; R87-S89 PolarHBondContact O-N 3.49Å; R87-S89 VanDerWaalsContact O-N 3.11Å; S89-S91 PolarHBondContact O-N 2.86Å; S89-Y92 PolarHBondContact O-N 3.42Å; S89-Y94 PolarHBondContact N-OH 2.9Å; S89-Y94 WeakPolarHBondContact O-CE2 3.39Å; S89-Y94 PolarHBondContact O-OH 3.37Å | ||
| 90 | R | 60 | Low | 75.5 | Confident | 235 Ų | 235 | 87.9 Ų | 87.9 | 89% | 0.887 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -12.2 | 179.4 | -179.7 | 173 | -96.4 | -175.8 | -6.2 | 114.4 | Y92 | R90-Y92 PolarHBondContact O-N 3.38Š|
| 91 | S | 58.3 | Low | 75.6 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 72% | 0.72 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.2 | -176.9 | -159.4 | 0 | 0 | 0 | 0 | 115.4 | S89 | S89-S91 PolarHBondContact O-N 2.86Š|
| 92 | Y | 59.7 | Low | 75.6 | Confident | 155 Ų | 155 | 85.2 Ų | 85.2 | 61% | 0.608 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -92.6 | 132.9 | 179.6 | -65 | -79.7 | 0 | 0 | 0 | 111 | S89 R90 Y94 | S89-Y92 PolarHBondContact O-N 3.42Å; R90-Y92 PolarHBondContact O-N 3.38Å; Y92-Y94 WeakPolarHBondContact O-CD2 3.46Å; Y92-Y94 WeakPolarHBondContact O-CE2 3.48Å; Y92-Y94 PolarHBondContact O-N 2.9Å |
| 93 | N | 63.4 | Low | 75.7 | Confident | 176 Ų | 176 | 82.8 Ų | 82.8 | 94% | 0.941 | 43% | 0.433 | S | S | * | . | trans | -66.9 | 83.6 | 170.5 | -79.7 | -66 | 0 | 0 | 0 | 109.2 | ||||
| 94 | Y | 68.7 | Low | 75.9 | Confident | 43 Ų | 43 | 83.8 Ų | 83.8 | 17% | 0.169 | 44% | 0.438 | C | S | . | . | trans | -71 | 132.4 | -178.9 | -65.4 | -69.1 | 0 | 0 | 0 | 110.7 | R87 Y88 S89 Y92 D98 | R87-Y94 PolarHBondContact O-OH 3.19Å; Y88-Y94 HydrophobicContact CD2-CE2 4.1Å; Y88-Y94 AromaticContact CE2-CD2 4Å; Y88-Y94 HydrophobicContact CE2-CD2 4Å; Y88-Y94 AromaticContact CE2-CE2 3.74Å; Y88-Y94 HydrophobicContact CE2-CE2 3.74Å; S89-Y94 PolarHBondContact N-OH 2.9Å; S89-Y94 WeakPolarHBondContact O-CE2 3.39Å; S89-Y94 PolarHBondContact O-OH 3.37Å; Y92-Y94 WeakPolarHBondContact O-CD2 3.46Å; Y92-Y94 WeakPolarHBondContact O-CE2 3.48Å; Y92-Y94 PolarHBondContact O-N 2.9Å; Y94-D98 HydrophobicContact CD1-CB 4.07Å | ||
| 95 | M | 77.9 | Confident | 76.2 | Confident | 134 Ų | 134 | 83 Ų | 83 | 66% | 0.66 | 43% | 0.434 | S | S | * | . | trans | -69.3 | 153.6 | 172 | -167.1 | 152.2 | 122.3 | 0 | 0 | 109.1 | I97 D98 Q99 | M95-I97 HydrophobicContact CB-CG2 4.09Å; M95-I97 HydrophobicContact CE-CG2 4.12Å; M95-I97 HydrophobicContact CG-CG2 4.09Å; M95-I97 PolarHBondContact O-N 2.84Å; M95-D98 WeakPolarHBondContact O-CB 3.38Å; M95-D98 PolarHBondContact O-N 3.37Å; M95-Q99 PolarHBondContact O-N 2.9Å | ||
| 96 | A | 82.5 | Confident | 76.5 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 62% | 0.62 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -53.3 | -30.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q99 F100 | A96-Q99 PolarHBondContact O-N 3.33Å; A96-F100 WeakPolarHBondContact O-CB 3.32Å; A96-F100 PolarHBondContact O-N 2.87Å |
| 97 | I | 83.6 | Confident | 77 | Confident | 79 Ų | 79 | 82.3 Ų | 82.3 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -34.5 | 175.8 | -163.6 | 163.2 | 0 | 0 | 0 | 113.4 | M95 S101 | M95-I97 HydrophobicContact CB-CG2 4.09Å; M95-I97 HydrophobicContact CE-CG2 4.12Å; M95-I97 HydrophobicContact CG-CG2 4.09Å; M95-I97 PolarHBondContact O-N 2.84Å; I97-S101 VanDerWaalsContact O-CB 3.29Å; I97-S101 WeakPolarHBondContact O-CB 3.19Å; I97-S101 PolarHBondContact O-N 3.28Å |
| 98 | D | 83.2 | Confident | 77.9 | Confident | 21 Ų | 21 | 77.2 Ų | 77.2 | 11% | 0.112 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73.3 | -38.6 | 178.5 | -68.9 | -38.4 | 0 | 0 | 0 | 110.9 | Y34 Y94 M95 S101 L102 | Y34-D98 PolarHBondContact N-OD1 2.6Å; Y94-D98 HydrophobicContact CD1-CB 4.07Å; M95-D98 WeakPolarHBondContact O-CB 3.38Å; M95-D98 PolarHBondContact O-N 3.37Å; D98-S101 PolarHBondContact O-N 3.24Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 PolarHBondContact O-N 3.45Å |
| 99 | Q | 83.6 | Confident | 78.8 | Confident | 109 Ų | 109 | 74.2 Ų | 74.2 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 174.4 | -65.4 | -177.5 | -18.7 | 0 | 0 | 111.4 | M95 A96 L102 A103 | M95-Q99 PolarHBondContact O-N 2.9Å; A96-Q99 PolarHBondContact O-N 3.33Å; Q99-L102 PolarHBondContact O-N 3.26Å; Q99-A103 WeakPolarHBondContact O-CB 3.47Å; Q99-A103 PolarHBondContact O-N 3.48Å |
| 100 | F | 86.3 | Confident | 80 | Confident | 97 Ų | 97 | 77.2 Ų | 77.2 | 43% | 0.425 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 175 | 177.1 | -99.5 | 0 | 0 | 0 | 111.7 | L29 A96 L102 A103 M104 | L29-F100 HydrophobicContact CD2-CE1 4.32Å; A96-F100 WeakPolarHBondContact O-CB 3.32Å; A96-F100 PolarHBondContact O-N 2.87Å; F100-L102 PolarHBondContact O-N 2.86Å; F100-A103 WeakPolarHBondContact O-CB 3.44Å; F100-A103 PolarHBondContact O-N 3.45Å; F100-M104 HydrophobicContact CD1-CG 4.46Å; F100-M104 HydrophobicContact CD2-CE 4.27Å; F100-M104 HydrophobicContact CE1-CE 4.23Å; F100-M104 HydrophobicContact CE1-CG 4.12Å; F100-M104 HydrophobicContact CE2-CE 3.37Å; F100-M104 HydrophobicContact CZ-CE 3.36Å; F100-M104 HydrophobicContact CZ-CG 4.17Å; F100-M104 WeakPolarHBondContact O-CG 3.33Å; F100-M104 PolarHBondContact O-N 3.32Å |
| 101 | S | 87.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 177 | 157 | 0 | 0 | 0 | 0 | 112.2 | T30 G33 W35 I97 D98 M104 A105 | T30-S101 PolarHBondContact O-OG 3.34Å; G33-S101 WeakPolarHBondContact CA-OG 3.39Å; G33-S101 PolarHBondContact N-OG 2.96Å; W35-S101 PolarHBondContact NE1-OG 3.44Å; I97-S101 VanDerWaalsContact O-CB 3.29Å; I97-S101 WeakPolarHBondContact O-CB 3.19Å; I97-S101 PolarHBondContact O-N 3.28Å; D98-S101 PolarHBondContact O-N 3.24Å; S101-M104 PolarHBondContact O-N 2.86Å; S101-A105 PolarHBondContact O-N 2.97Å |
| 102 | L | 85.5 | Confident | 82.3 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.1 | -176.2 | 82.7 | 0 | 0 | 0 | 111.7 | W35 Y88 D98 Q99 F100 M104 A105 I106 | W35-L102 HydrophobicContact CH2-CD1 3.88Å; W35-L102 HydrophobicContact CZ2-CB 4.27Å; W35-L102 HydrophobicContact CZ2-CD1 3.93Å; W35-L102 HydrophobicContact CZ3-CD1 4.28Å; Y88-L102 HydrophobicContact CD1-CD2 3.96Å; Y88-L102 HydrophobicContact CD2-CD1 3.67Å; Y88-L102 HydrophobicContact CD2-CD2 3.47Å; Y88-L102 VanDerWaalsContact CD2-CD2 3.47Å; Y88-L102 HydrophobicContact CD2-CG 4.09Å; Y88-L102 HydrophobicContact CE1-CD2 3.66Å; Y88-L102 HydrophobicContact CE2-CD1 4.22Å; Y88-L102 HydrophobicContact CE2-CD2 3.17Å; Y88-L102 HydrophobicContact CE2-CG 4.13Å; Y88-L102 HydrophobicContact CG-CD1 3.97Å; Y88-L102 HydrophobicContact CG-CD2 3.85Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 PolarHBondContact O-N 3.45Å; Q99-L102 PolarHBondContact O-N 3.26Å; F100-L102 PolarHBondContact O-N 2.86Å; L102-M104 VanDerWaalsContact C-N 3.26Å; L102-M104 PolarHBondContact O-N 3.26Å; L102-A105 WeakPolarHBondContact O-CA 3.38Å; L102-A105 WeakPolarHBondContact O-CB 3.42Å; L102-A105 PolarHBondContact O-N 3.12Å; L102-I106 HydrophobicContact CD2-CD1 4.2Å; L102-I106 HydrophobicContact CG-CD1 4.08Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 3.37Å |
| 103 | A | 87.5 | Confident | 83.2 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 37% | 0.372 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q99 F100 A105 I106 I107 | Q99-A103 WeakPolarHBondContact O-CB 3.47Å; Q99-A103 PolarHBondContact O-N 3.48Å; F100-A103 WeakPolarHBondContact O-CB 3.44Å; F100-A103 PolarHBondContact O-N 3.45Å; A103-A105 VanDerWaalsContact C-N 3.29Å; A103-A105 PolarHBondContact O-N 3.22Å; A103-I106 PolarHBondContact O-N 3.43Å; A103-I107 VanDerWaalsContact O-CG1 3.3Å; A103-I107 WeakPolarHBondContact O-CG1 3.43Å; A103-I107 PolarHBondContact O-N 2.92Å |
| 104 | M | 88.8 | Confident | 84.1 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 18% | 0.177 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 173.9 | -66.8 | -60.7 | 171.6 | 0 | 0 | 112.4 | L26 L29 T30 F100 S101 L102 I107 N108 | L26-M104 HydrophobicContact CD2-SD 3.91Å; L29-M104 HydrophobicContact CB-CB 4.1Å; L29-M104 HydrophobicContact CB-CG 3.97Å; L29-M104 HydrophobicContact CD1-CE 4.43Å; L29-M104 HydrophobicContact CD1-CG 4.4Å; L29-M104 HydrophobicContact CD1-SD 4.03Å; T30-M104 HydrophobicContact CG2-CB 4.13Å; F100-M104 HydrophobicContact CD1-CG 4.46Å; F100-M104 HydrophobicContact CD2-CE 4.27Å; F100-M104 HydrophobicContact CE1-CE 4.23Å; F100-M104 HydrophobicContact CE1-CG 4.12Å; F100-M104 HydrophobicContact CE2-CE 3.37Å; F100-M104 HydrophobicContact CZ-CE 3.36Å; F100-M104 HydrophobicContact CZ-CG 4.17Å; F100-M104 WeakPolarHBondContact O-CG 3.33Å; F100-M104 PolarHBondContact O-N 3.32Å; S101-M104 PolarHBondContact O-N 2.86Å; L102-M104 VanDerWaalsContact C-N 3.26Å; L102-M104 PolarHBondContact O-N 3.26Å; M104-I107 PolarHBondContact O-N 3.29Å; M104-I107 HydrophobicContact SD-CD1 4.21Å; M104-N108 WeakPolarHBondContact O-CB 2.97Å; M104-N108 PolarHBondContact O-N 3.46Å |
| 105 | A | 86.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.9 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | T30 W35 M84 S101 L102 A103 N108 L109 | T30-A105 HydrophobicContact CG2-CB 3.51Å; T30-A105 VanDerWaalsContact CG2-N 3.28Å; W35-A105 HydrophobicContact CH2-CB 3.96Å; W35-A105 HydrophobicContact CZ2-CB 3.88Å; M84-A105 HydrophobicContact SD-CB 3.96Å; S101-A105 PolarHBondContact O-N 2.97Å; L102-A105 WeakPolarHBondContact O-CA 3.38Å; L102-A105 WeakPolarHBondContact O-CB 3.42Å; L102-A105 PolarHBondContact O-N 3.12Å; A103-A105 VanDerWaalsContact C-N 3.29Å; A103-A105 PolarHBondContact O-N 3.22Å; A105-N108 WeakPolarHBondContact O-CB 3.44Å; A105-N108 PolarHBondContact O-N 3.23Å; A105-L109 WeakPolarHBondContact O-CB 3.15Å; A105-L109 PolarHBondContact O-N 2.82Å |
| 106 | I | 87.3 | Confident | 84.8 | Confident | 77 Ų | 77 | 46.2 Ų | 46.2 | 40% | 0.395 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 174 | -65.2 | 166 | 0 | 0 | 0 | 110.2 | M84 L102 A103 N108 L109 L110 | M84-I106 HydrophobicContact SD-CG1 4.45Å; L102-I106 HydrophobicContact CD2-CD1 4.2Å; L102-I106 HydrophobicContact CG-CD1 4.08Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 3.37Å; A103-I106 PolarHBondContact O-N 3.43Å; I106-N108 VanDerWaalsContact C-N 3.34Å; I106-N108 PolarHBondContact O-N 2.8Å; I106-L109 WeakPolarHBondContact O-CB 3.46Å; I106-L109 PolarHBondContact O-N 3.32Å; I106-L110 HydrophobicContact CG2-CD1 4.33Å; I106-L110 WeakPolarHBondContact O-CG 3.26Å; I106-L110 PolarHBondContact O-N 2.84Å |
| 107 | I | 89.1 | Confident | 84.9 | Confident | 72 Ų | 72 | 49.3 Ų | 49.3 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.7 | -67.4 | 165.7 | 0 | 0 | 0 | 110.3 | L26 A103 M104 L109 L110 L111 | L26-I107 HydrophobicContact CD1-CG2 3.96Å; L26-I107 HydrophobicContact CD2-CB 4.47Å; L26-I107 HydrophobicContact CD2-CG2 3.95Å; A103-I107 VanDerWaalsContact O-CG1 3.3Å; A103-I107 WeakPolarHBondContact O-CG1 3.43Å; A103-I107 PolarHBondContact O-N 2.92Å; M104-I107 PolarHBondContact O-N 3.29Å; M104-I107 HydrophobicContact SD-CD1 4.21Å; I107-L109 VanDerWaalsContact C-N 3.3Å; I107-L109 PolarHBondContact O-N 3.01Å; I107-L110 PolarHBondContact O-N 3.39Å; I107-L111 HydrophobicContact CG2-CD1 3.97Å; I107-L111 VanDerWaalsContact O-CD1 3.26Å; I107-L111 WeakPolarHBondContact O-CD1 3.36Å; I107-L111 PolarHBondContact O-N 3.44Å |
| 108 | N | 87.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.6 | -44 | 174.7 | -166.7 | 41.3 | 0 | 0 | 0 | 111.4 | H23 L26 V27 M104 A105 I106 L110 L111 R112 | H23-N108 PolarHBondContact CD2-OD1 3.43Å; L26-N108 HydrophobicContact CB-CB 3.91Å; L26-N108 HydrophobicContact CD1-CB 4.31Å; V27-N108 WeakPolarHBondContact CG2-ND2 3.41Å; M104-N108 WeakPolarHBondContact O-CB 2.97Å; M104-N108 PolarHBondContact O-N 3.46Å; A105-N108 WeakPolarHBondContact O-CB 3.44Å; A105-N108 PolarHBondContact O-N 3.23Å; I106-N108 VanDerWaalsContact C-N 3.34Å; I106-N108 PolarHBondContact O-N 2.8Å; N108-L110 PolarHBondContact O-N 3.45Å; N108-L111 PolarHBondContact O-N 3Å; N108-R112 PolarHBondContact ND2-NH2 3.15Å; N108-R112 WeakPolarHBondContact O-CG 3.17Å; N108-R112 PolarHBondContact O-N 3Å |
| 109 | L | 86 | Confident | 84.7 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 176.5 | -173.6 | 77.8 | 0 | 0 | 0 | 112.2 | F77 D80 I81 M84 A105 I106 I107 L111 R112 P113 | F77-L109 HydrophobicContact CD2-CD1 3.69Å; F77-L109 HydrophobicContact CD2-CG 4.26Å; F77-L109 HydrophobicContact CE2-CD1 3.85Å; F77-L109 HydrophobicContact CE2-CG 3.98Å; D80-L109 HydrophobicContact CB-CD1 3.69Å; I81-L109 HydrophobicContact CG1-CD1 3.91Å; I81-L109 HydrophobicContact CG1-CD2 3.87Å; I81-L109 HydrophobicContact CG1-CG 4.49Å; M84-L109 HydrophobicContact CE-CB 3.96Å; M84-L109 HydrophobicContact CE-CD1 3.7Å; M84-L109 HydrophobicContact CE-CD2 3.75Å; M84-L109 HydrophobicContact CE-CG 3.99Å; A105-L109 WeakPolarHBondContact O-CB 3.15Å; A105-L109 PolarHBondContact O-N 2.82Å; I106-L109 WeakPolarHBondContact O-CB 3.46Å; I106-L109 PolarHBondContact O-N 3.32Å; I107-L109 VanDerWaalsContact C-N 3.3Å; I107-L109 PolarHBondContact O-N 3.01Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 2.94Å; L109-R112 WeakPolarHBondContact O-CB 3.37Å; L109-R112 PolarHBondContact O-N 3.43Å; L109-P113 WeakPolarHBondContact O-CD 3.25Å |
| 110 | L | 86.3 | Confident | 84.6 | Confident | 121 Ų | 121 | 46 Ų | 46 | 63% | 0.634 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69 | -28.2 | 177.7 | -71.5 | 173.3 | 0 | 0 | 0 | 113.1 | I106 I107 N108 R112 P113 | I106-L110 HydrophobicContact CG2-CD1 4.33Å; I106-L110 WeakPolarHBondContact O-CG 3.26Å; I106-L110 PolarHBondContact O-N 2.84Å; I107-L110 PolarHBondContact O-N 3.39Å; N108-L110 PolarHBondContact O-N 3.45Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-P113 VanDerWaalsContact O-CD 3.32Å; L110-P113 WeakPolarHBondContact O-CD 3.37Å |
| 111 | L | 83.9 | Confident | 84.5 | Confident | 53 Ų | 53 | 46 Ų | 46 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -73.5 | -20.9 | 173.8 | -95.5 | 75.2 | 0 | 0 | 0 | 112.9 | A22 L26 I107 N108 L109 A114 S115 | A22-L111 HydrophobicContact CB-CD2 3.93Å; L26-L111 HydrophobicContact CD1-CD1 4.32Å; L26-L111 HydrophobicContact CD1-CD2 3.73Å; L26-L111 HydrophobicContact CD1-CG 4.47Å; I107-L111 HydrophobicContact CG2-CD1 3.97Å; I107-L111 VanDerWaalsContact O-CD1 3.26Å; I107-L111 WeakPolarHBondContact O-CD1 3.36Å; I107-L111 PolarHBondContact O-N 3.44Å; N108-L111 PolarHBondContact O-N 3Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 2.94Å; L111-A114 WeakPolarHBondContact O-CB 3.47Å; L111-A114 PolarHBondContact O-N 3.43Å; L111-S115 PolarHBondContact O-N 3.29Å; L111-S115 VanDerWaalsContact O-N 3.14Å |
| 112 | R | 83.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 178.4 | -63 | 176.6 | -175.5 | -63.7 | -2.2 | 112.7 | N44 F47 F77 D80 N108 L109 L110 A114 S115 S116 | N44-R112 PolarHBondContact OD1-NH2 3.18Å; F47-R112 HydrophobicContact CE2-CG 4.11Å; F47-R112 HydrophobicContact CZ-CG 4.23Å; F47-R112 VanDerWaalsContact CZ-NH1 3.3Å; F77-R112 HydrophobicContact CD2-CB 4.11Å; D80-R112 IonicContact OD1-NH2 3.09Å; D80-R112 IonicContact OD2-CZ 3.33Å; D80-R112 IonicContact OD2-NE 2.6Å; D80-R112 PolarHBondContact OD2-NE 3.43Å; D80-R112 IonicContact OD2-NH2 2.77Å; D80-R112 PolarHBondContact OD2-NH2 2.66Å; N108-R112 PolarHBondContact ND2-NH2 3.15Å; N108-R112 WeakPolarHBondContact O-CG 3.17Å; N108-R112 PolarHBondContact O-N 3Å; L109-R112 WeakPolarHBondContact O-CB 3.37Å; L109-R112 PolarHBondContact O-N 3.43Å; L110-R112 VanDerWaalsContact C-N 3.3Å; R112-A114 PolarHBondContact O-N 2.91Å; R112-S115 WeakPolarHBondContact O-CB 3.29Å; R112-S115 PolarHBondContact O-N 2.8Å; R112-S115 PolarHBondContact O-OG 3.43Å; R112-S116 PolarHBondContact O-N 3.3Å; R112-S116 PolarHBondContact O-OG 2.91Å |
| 113 | P | 79.1 | Confident | 83.7 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 41% | 0.409 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -50.5 | -39.8 | 172 | -28.7 | 30.2 | 0 | 0 | 0 | 113.9 | F77 L109 L110 S116 F117 | F77-P113 HydrophobicContact CE2-CG 4.26Å; L109-P113 WeakPolarHBondContact O-CD 3.25Å; L110-P113 VanDerWaalsContact O-CD 3.32Å; L110-P113 WeakPolarHBondContact O-CD 3.37Å; P113-S116 PolarHBondContact O-N 3.34Å; P113-F117 WeakPolarHBondContact O-CB 3.48Å; P113-F117 PolarHBondContact O-N 2.92Å |
| 114 | A | 80.5 | Confident | 83.5 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L111 R112 F117 L118 | L111-A114 WeakPolarHBondContact O-CB 3.47Å; L111-A114 PolarHBondContact O-N 3.43Å; R112-A114 PolarHBondContact O-N 2.91Å; A114-F117 PolarHBondContact O-N 3.45Å; A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 3.45Å |
| 115 | S | 80.8 | Confident | 83 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.2 | 78 | 0 | 0 | 0 | 0 | 112.3 | L111 R112 F117 L118 L119 | L111-S115 PolarHBondContact O-N 3.29Å; L111-S115 VanDerWaalsContact O-N 3.14Å; R112-S115 WeakPolarHBondContact O-CB 3.29Å; R112-S115 PolarHBondContact O-N 2.8Å; R112-S115 PolarHBondContact O-OG 3.43Å; S115-F117 PolarHBondContact O-N 3.28Å; S115-L118 PolarHBondContact O-N 3.45Å; S115-L119 WeakPolarHBondContact O-CG 3.39Å; S115-L119 PolarHBondContact O-N 2.89Å |
| 116 | S | 81.2 | Confident | 82.4 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | R112 P113 L119 Y120 | R112-S116 PolarHBondContact O-N 3.3Å; R112-S116 PolarHBondContact O-OG 2.91Å; P113-S116 PolarHBondContact O-N 3.34Å; S116-L119 PolarHBondContact O-N 2.94Å; S116-Y120 VanDerWaalsContact O-CB 3.27Å; S116-Y120 WeakPolarHBondContact O-CB 3.47Å; S116-Y120 PolarHBondContact O-N 3.43Å |
| 117 | F | 85.3 | Confident | 81.8 | Confident | 140 Ų | 140 | 55 Ų | 55 | 61% | 0.614 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 176.9 | -176 | -98.3 | 0 | 0 | 0 | 111.4 | P113 A114 S115 Y120 Y121 | P113-F117 WeakPolarHBondContact O-CB 3.48Å; P113-F117 PolarHBondContact O-N 2.92Å; A114-F117 PolarHBondContact O-N 3.45Å; S115-F117 PolarHBondContact O-N 3.28Å; F117-Y120 PolarHBondContact O-N 2.98Å; F117-Y121 VanDerWaalsContact O-CB 3.29Å; F117-Y121 WeakPolarHBondContact O-CB 3.33Å; F117-Y121 PolarHBondContact O-N 2.98Å |
| 118 | L | 81.9 | Confident | 81 | Confident | 24 Ų | 24 | 60 Ų | 60 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 177.9 | -155.2 | 167.7 | 0 | 0 | 0 | 111.1 | A15 L16 I19 A114 S115 Y120 Y121 I122 | A15-L118 HydrophobicContact CB-CD1 3.72Å; L16-L118 HydrophobicContact CD1-CD2 4.17Å; L16-L118 HydrophobicContact CD2-CD1 4.25Å; L16-L118 HydrophobicContact CD2-CD2 3.67Å; L16-L118 HydrophobicContact CD2-CG 4.35Å; L16-L118 HydrophobicContact CG-CD1 4.31Å; L16-L118 HydrophobicContact CG-CD2 3.65Å; I19-L118 HydrophobicContact CD1-CD1 3.51Å; A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 3.45Å; S115-L118 PolarHBondContact O-N 3.45Å; L118-Y120 VanDerWaalsContact C-N 3.35Å; L118-Y120 PolarHBondContact O-N 3.03Å; L118-Y121 WeakPolarHBondContact O-CB 3.39Å; L118-Y121 PolarHBondContact O-N 3.46Å; L118-I122 HydrophobicContact CD2-CD1 3.34Å; L118-I122 HydrophobicContact CD2-CG1 3.88Å; L118-I122 WeakPolarHBondContact O-CG1 2.99Å; L118-I122 PolarHBondContact O-N 2.91Å |
| 119 | L | 79.7 | Confident | 80.2 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 173.7 | -72.1 | 174.8 | 0 | 0 | 0 | 112.2 | L16 A54 L70 Q73 S115 S116 Y121 I122 R123 | L16-L119 HydrophobicContact CD2-CD2 4.19Å; A54-L119 HydrophobicContact CB-CD1 4.22Å; A54-L119 HydrophobicContact CB-CD2 3.9Å; L70-L119 HydrophobicContact CD1-CB 4.3Å; Q73-L119 HydrophobicContact CG-CD1 4.28Å; S115-L119 WeakPolarHBondContact O-CG 3.39Å; S115-L119 PolarHBondContact O-N 2.89Å; S116-L119 PolarHBondContact O-N 2.94Å; L119-Y121 VanDerWaalsContact C-N 3.32Å; L119-Y121 PolarHBondContact O-N 2.85Å; L119-I122 PolarHBondContact O-N 2.75Å; L119-R123 WeakPolarHBondContact O-CB 3.19Å; L119-R123 PolarHBondContact O-N 3.47Å |
| 120 | Y | 82.3 | Confident | 79.3 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 42% | 0.424 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.7 | -179.7 | -94.4 | 0 | 0 | 0 | 111.7 | S116 F117 L118 R123 Q124 | S116-Y120 VanDerWaalsContact O-CB 3.27Å; S116-Y120 WeakPolarHBondContact O-CB 3.47Å; S116-Y120 PolarHBondContact O-N 3.43Å; F117-Y120 PolarHBondContact O-N 2.98Å; L118-Y120 VanDerWaalsContact C-N 3.35Å; L118-Y120 PolarHBondContact O-N 3.03Å; Y120-R123 WeakPolarHBondContact O-CB 3.23Å; Y120-R123 PolarHBondContact O-N 3.04Å; Y120-Q124 WeakPolarHBondContact O-CB 3.32Å; Y120-Q124 PolarHBondContact O-N 3.43Å |
| 121 | Y | 83.8 | Confident | 78.1 | Confident | 95 Ų | 95 | 66.2 Ų | 66.2 | 37% | 0.373 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 177.3 | -176.3 | -109.5 | 0 | 0 | 0 | 111.9 | H12 F117 L118 L119 R123 Q124 Q125 | H12-Y121 AromaticContact NE2-CD1 3.85Å; H12-Y121 AromaticContact NE2-CE1 3.5Å; F117-Y121 VanDerWaalsContact O-CB 3.29Å; F117-Y121 WeakPolarHBondContact O-CB 3.33Å; F117-Y121 PolarHBondContact O-N 2.98Å; L118-Y121 WeakPolarHBondContact O-CB 3.39Å; L118-Y121 PolarHBondContact O-N 3.46Å; L119-Y121 VanDerWaalsContact C-N 3.32Å; L119-Y121 PolarHBondContact O-N 2.85Å; Y121-R123 VanDerWaalsContact C-N 3.3Å; Y121-R123 PolarHBondContact O-N 3.03Å; Y121-Q124 PolarHBondContact O-N 3.49Å; Y121-Q125 HydrophobicContact CE1-CG 4.41Å; Y121-Q125 WeakPolarHBondContact O-CG 3.38Å; Y121-Q125 PolarHBondContact O-N 2.93Å; Y121-Q125 PolarHBondContact OH-NE2 3.35Å; Y121-Q125 VanDerWaalsContact OH-NE2 3.1Å |
| 122 | I | 78.7 | Confident | 76.9 | Confident | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 173.6 | -68.8 | 166.8 | 0 | 0 | 0 | 110.3 | H12 L16 L118 L119 Q124 Q125 R126 | H12-I122 HydrophobicContact CB-CD1 4.13Å; H12-I122 HydrophobicContact CB-CG1 4.32Å; L16-I122 HydrophobicContact CD1-CD1 3.42Å; L16-I122 VanDerWaalsContact CD1-CD1 3.42Å; L16-I122 HydrophobicContact CG-CD1 4.21Å; L118-I122 HydrophobicContact CD2-CD1 3.34Å; L118-I122 HydrophobicContact CD2-CG1 3.88Å; L118-I122 WeakPolarHBondContact O-CG1 2.99Å; L118-I122 PolarHBondContact O-N 2.91Å; L119-I122 PolarHBondContact O-N 2.75Å; I122-Q124 VanDerWaalsContact C-N 3.34Å; I122-Q124 PolarHBondContact O-N 3.48Å; I122-Q125 PolarHBondContact O-N 3.23Å; I122-R126 HydrophobicContact CG2-CG 4.43Å; I122-R126 WeakPolarHBondContact O-CG 3.48Å; I122-R126 PolarHBondContact O-N 2.63Å |
| 123 | R | 78.2 | Confident | 75.7 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 28% | 0.275 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 177.3 | -176.9 | -128.5 | 176.2 | 171 | 5.3 | 111.5 | I63 L66 M67 L119 Y120 Y121 Q125 R126 Y127 | I63-R123 HydrophobicContact CG2-CG 3.95Å; L66-R123 HydrophobicContact CD1-CB 4.18Å; L66-R123 HydrophobicContact CD1-CG 4.48Å; M67-R123 HydrophobicContact CE-CG 3.71Å; M67-R123 VanDerWaalsContact SD-CZ 3.55Å; M67-R123 PolarHBondContact SD-NH2 2.93Å; M67-R123 VanDerWaalsContact SD-NH2 3.36Å; L119-R123 WeakPolarHBondContact O-CB 3.19Å; L119-R123 PolarHBondContact O-N 3.47Å; Y120-R123 WeakPolarHBondContact O-CB 3.23Å; Y120-R123 PolarHBondContact O-N 3.04Å; Y121-R123 VanDerWaalsContact C-N 3.3Å; Y121-R123 PolarHBondContact O-N 3.03Å; R123-Q125 VanDerWaalsContact C-N 3.34Å; R123-Q125 PolarHBondContact O-N 2.9Å; R123-R126 PolarHBondContact O-N 3.35Å; R123-Y127 WeakPolarHBondContact O-CB 3.49Å; R123-Y127 PolarHBondContact O-N 3.2Å |
| 124 | Q | 81.9 | Confident | 74.5 | Confident | 85 Ų | 85 | 75 Ų | 75 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.3 | -169.4 | -178.9 | 18.1 | 0 | 0 | 111.6 | Y120 Y121 I122 Y127 R128 | Y120-Q124 WeakPolarHBondContact O-CB 3.32Å; Y120-Q124 PolarHBondContact O-N 3.43Å; Y121-Q124 PolarHBondContact O-N 3.49Å; I122-Q124 VanDerWaalsContact C-N 3.34Å; I122-Q124 PolarHBondContact O-N 3.48Å; Q124-Y127 PolarHBondContact O-N 3.47Å; Q124-R128 VanDerWaalsContact O-CG 3.31Å; Q124-R128 WeakPolarHBondContact O-CG 3.32Å; Q124-R128 PolarHBondContact O-N 2.87Å |
| 125 | Q | 78.8 | Confident | 73.2 | Confident | 43 Ų | 43 | 76 Ų | 76 | 20% | 0.201 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 175.8 | -71.4 | -176.9 | -6 | 0 | 0 | 112.4 | H12 Y121 I122 R123 Y127 R128 T129 | H12-Q125 PolarHBondContact CE1-NE2 3.09Å; H12-Q125 PolarHBondContact CE1-OE1 3.28Å; Y121-Q125 HydrophobicContact CE1-CG 4.41Å; Y121-Q125 WeakPolarHBondContact O-CG 3.38Å; Y121-Q125 PolarHBondContact O-N 2.93Å; Y121-Q125 PolarHBondContact OH-NE2 3.35Å; Y121-Q125 VanDerWaalsContact OH-NE2 3.1Å; I122-Q125 PolarHBondContact O-N 3.23Å; R123-Q125 VanDerWaalsContact C-N 3.34Å; R123-Q125 PolarHBondContact O-N 2.9Å; Q125-Y127 VanDerWaalsContact C-N 3.26Å; Q125-Y127 PolarHBondContact O-N 3.15Å; Q125-R128 PolarHBondContact O-N 3.39Å; Q125-T129 PolarHBondContact O-N 3.39Å; Q125-T129 PolarHBondContact O-OG1 3.05Å |
| 126 | R | 74.8 | Confident | 71.7 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 11% | 0.106 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -34.6 | 176.1 | -70 | -173.6 | -176.2 | 179.2 | 5.1 | 112 | L57 N58 D59 I63 I122 R123 T129 K130 | L57-R126 PolarHBondContact O-NH2 2.58Å; N58-R126 PolarHBondContact O-NH1 2.78Å; N58-R126 PolarHBondContact O-NH2 3.45Å; D59-R126 IonicContact OD1-CZ 3.23Å; D59-R126 IonicContact OD1-NE 2.72Å; D59-R126 PolarHBondContact OD1-NE 2.87Å; D59-R126 IonicContact OD1-NH2 2.9Å; D59-R126 PolarHBondContact OD1-NH2 3.49Å; I63-R126 HydrophobicContact CG1-CB 4.48Å; I122-R126 HydrophobicContact CG2-CG 4.43Å; I122-R126 WeakPolarHBondContact O-CG 3.48Å; I122-R126 PolarHBondContact O-N 2.63Å; R123-R126 PolarHBondContact O-N 3.35Å; R126-T129 PolarHBondContact O-OG1 3.26Å; R126-T129 VanDerWaalsContact O-OG1 3.07Å; R126-K130 WeakPolarHBondContact O-CG 3.32Å; R126-K130 PolarHBondContact O-N 3.38Å |
| 127 | Y | 75.3 | Confident | 70.4 | Confident | 121 Ų | 121 | 86.5 Ų | 86.5 | 48% | 0.475 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -53.5 | 172.3 | -168.8 | -89.9 | 0 | 0 | 0 | 110 | I63 R123 Q124 Q125 T129 K130 F131 | I63-Y127 HydrophobicContact CD1-CD2 3.94Å; I63-Y127 HydrophobicContact CD1-CG 4.44Å; R123-Y127 WeakPolarHBondContact O-CB 3.49Å; R123-Y127 PolarHBondContact O-N 3.2Å; Q124-Y127 PolarHBondContact O-N 3.47Å; Q125-Y127 VanDerWaalsContact C-N 3.26Å; Q125-Y127 PolarHBondContact O-N 3.15Å; Y127-T129 VanDerWaalsContact C-N 3.33Å; Y127-T129 PolarHBondContact O-N 3.5Å; Y127-K130 PolarHBondContact O-N 3.46Å; Y127-K130 VanDerWaalsContact O-N 3.16Å; Y127-F131 AromaticContact CD1-CD2 3.62Å; Y127-F131 HydrophobicContact CD1-CD2 3.62Å; Y127-F131 AromaticContact CD1-CE2 3.56Å; Y127-F131 HydrophobicContact CD1-CE2 3.56Å; Y127-F131 HydrophobicContact CD2-CD2 4.45Å; Y127-F131 AromaticContact CD2-CE2 3.65Å; Y127-F131 HydrophobicContact CD2-CE2 3.65Å; Y127-F131 AromaticContact CE1-CD2 3.47Å; Y127-F131 HydrophobicContact CE1-CD2 3.47Å; Y127-F131 VanDerWaalsContact CE1-CD2 3.47Å; Y127-F131 AromaticContact CE1-CE2 3.21Å; Y127-F131 HydrophobicContact CE1-CE2 3.21Å; Y127-F131 HydrophobicContact CE1-CZ 4.02Å; Y127-F131 HydrophobicContact CE2-CD2 4.33Å; Y127-F131 AromaticContact CE2-CE2 3.31Å; Y127-F131 HydrophobicContact CE2-CE2 3.31Å; Y127-F131 AromaticContact CE2-CZ 3.81Å; Y127-F131 HydrophobicContact CE2-CZ 3.81Å; Y127-F131 HydrophobicContact CG-CD2 4.12Å; Y127-F131 AromaticContact CG-CE2 3.76Å; Y127-F131 HydrophobicContact CG-CE2 3.76Å; Y127-F131 AromaticContact CZ-CD2 3.85Å; Y127-F131 AromaticContact CZ-CE2 3.06Å; Y127-F131 AromaticContact CZ-CZ 3.51Å; Y127-F131 WeakPolarHBondContact O-CD2 3.47Å; Y127-F131 PolarHBondContact O-N 3.47Å; Y127-F131 WeakPolarHBondContact OH-CZ 3.37Å |
| 128 | R | 71.9 | Confident | 69.3 | Low | 176 Ų | 176 | 84.7 Ų | 84.7 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.1 | -39.7 | -179 | -70.2 | 177.6 | 77.8 | 162.3 | 6.1 | 113.6 | Q124 Q125 F131 A132 | Q124-R128 VanDerWaalsContact O-CG 3.31Å; Q124-R128 WeakPolarHBondContact O-CG 3.32Å; Q124-R128 PolarHBondContact O-N 2.87Å; Q125-R128 PolarHBondContact O-N 3.39Å; R128-F131 PolarHBondContact O-N 3.28Å; R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 3.31Å |
| 129 | T | 70.2 | Confident | 68.1 | Low | 68 Ų | 68 | 89.1 Ų | 89.1 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 178.9 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | Q125 R126 Y127 F131 A132 T133 | Q125-T129 PolarHBondContact O-N 3.39Å; Q125-T129 PolarHBondContact O-OG1 3.05Å; R126-T129 PolarHBondContact O-OG1 3.26Å; R126-T129 VanDerWaalsContact O-OG1 3.07Å; Y127-T129 VanDerWaalsContact C-N 3.33Å; Y127-T129 PolarHBondContact O-N 3.5Å; T129-F131 PolarHBondContact O-N 2.84Å; T129-A132 PolarHBondContact O-N 3.02Å; T129-T133 PolarHBondContact O-N 2.77Å; T129-T133 PolarHBondContact O-OG1 3.11Å; T129-T133 VanDerWaalsContact O-OG1 3.09Å |
| 130 | K | 66.6 | Low | 67.3 | Low | 93 Ų | 93 | 94.4 Ų | 94.4 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 177.5 | -70 | -164.9 | -169.2 | -166.5 | 0 | 113 | I63 R126 Y127 T134 | I63-K130 HydrophobicContact CD1-CD 3.78Å; I63-K130 HydrophobicContact CD1-CG 4.43Å; I63-K130 HydrophobicContact CG1-CD 4.32Å; R126-K130 WeakPolarHBondContact O-CG 3.32Å; R126-K130 PolarHBondContact O-N 3.38Å; Y127-K130 PolarHBondContact O-N 3.46Å; Y127-K130 VanDerWaalsContact O-N 3.16Å; K130-T134 PolarHBondContact O-OG1 2.9Å |
| 131 | F | 61 | Low | 66.2 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.4 | -24.6 | 176.5 | -66.4 | -79.5 | 0 | 0 | 0 | 113.6 | Y127 R128 T129 T134 | Y127-F131 AromaticContact CD1-CD2 3.62Å; Y127-F131 HydrophobicContact CD1-CD2 3.62Å; Y127-F131 AromaticContact CD1-CE2 3.56Å; Y127-F131 HydrophobicContact CD1-CE2 3.56Å; Y127-F131 HydrophobicContact CD2-CD2 4.45Å; Y127-F131 AromaticContact CD2-CE2 3.65Å; Y127-F131 HydrophobicContact CD2-CE2 3.65Å; Y127-F131 AromaticContact CE1-CD2 3.47Å; Y127-F131 HydrophobicContact CE1-CD2 3.47Å; Y127-F131 VanDerWaalsContact CE1-CD2 3.47Å; Y127-F131 AromaticContact CE1-CE2 3.21Å; Y127-F131 HydrophobicContact CE1-CE2 3.21Å; Y127-F131 HydrophobicContact CE1-CZ 4.02Å; Y127-F131 HydrophobicContact CE2-CD2 4.33Å; Y127-F131 AromaticContact CE2-CE2 3.31Å; Y127-F131 HydrophobicContact CE2-CE2 3.31Å; Y127-F131 AromaticContact CE2-CZ 3.81Å; Y127-F131 HydrophobicContact CE2-CZ 3.81Å; Y127-F131 HydrophobicContact CG-CD2 4.12Å; Y127-F131 AromaticContact CG-CE2 3.76Å; Y127-F131 HydrophobicContact CG-CE2 3.76Å; Y127-F131 AromaticContact CZ-CD2 3.85Å; Y127-F131 AromaticContact CZ-CE2 3.06Å; Y127-F131 AromaticContact CZ-CZ 3.51Å; Y127-F131 WeakPolarHBondContact O-CD2 3.47Å; Y127-F131 PolarHBondContact O-N 3.47Å; Y127-F131 WeakPolarHBondContact OH-CZ 3.37Å; R128-F131 PolarHBondContact O-N 3.28Å; T129-F131 PolarHBondContact O-N 2.84Å; F131-T134 PolarHBondContact O-N 3.47Å |
| 132 | A | 59.9 | Low | 65.3 | Low | 68 Ų | 68 | 95.7 Ų | 95.7 | 56% | 0.562 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.9 | -33.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R128 T129 T134 A135 | R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 3.31Å; T129-A132 PolarHBondContact O-N 3.02Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 3Å; A132-A135 PolarHBondContact O-N 3.35Å |
| 133 | T | 56.9 | Low | 64.5 | Low | 124 Ų | 124 | 100.8 Ų | 100.8 | 76% | 0.761 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -12.8 | 178 | -41.7 | 0 | 0 | 0 | 0 | 113.1 | T129 A135 | T129-T133 PolarHBondContact O-N 2.77Å; T129-T133 PolarHBondContact O-OG1 3.11Å; T129-T133 VanDerWaalsContact O-OG1 3.09Å; T133-A135 VanDerWaalsContact C-N 3.3Å |
| 134 | T | 53.7 | Low | 63.6 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 68% | 0.681 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 13.8 | 174.5 | -32.6 | 0 | 0 | 0 | 0 | 112.7 | K130 F131 A132 | K130-T134 PolarHBondContact O-OG1 2.9Å; F131-T134 PolarHBondContact O-N 3.47Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 3Å |
| 135 | A | 53.4 | Low | 62.5 | Low | 69 Ų | 69 | 103.6 Ų | 103.6 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -59.9 | 133.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | A132 T133 T137 | A132-A135 PolarHBondContact O-N 3.35Å; T133-A135 VanDerWaalsContact C-N 3.3Å; A135-T137 PolarHBondContact O-N 3.1Å |
| 136 | P | 49.8 | Very low | 61.6 | Low | 119 Ų | 119 | 106.1 Ų | 106.1 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 117.8 | -175.4 | 25.7 | -31.8 | 0 | 0 | 0 | 108 | P138 | P136-P138 WeakPolarHBondContact O-CD 3.46Å; P136-P138 VanDerWaalsContact O-N 3.11Å |
| 137 | T | 55.1 | Low | 60.7 | Low | 130 Ų | 130 | 110.8 Ų | 110.8 | 80% | 0.798 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 119.8 | 160.7 | 13.2 | 0 | 0 | 0 | 0 | 106 | A135 | A135-T137 PolarHBondContact O-N 3.1Š|
| 138 | P | 62.1 | Low | 60.1 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 143.1 | 172.5 | 23.4 | -31.3 | 0 | 0 | 0 | 107.5 | P136 T140 | P136-P138 WeakPolarHBondContact O-CD 3.46Å; P136-P138 VanDerWaalsContact O-N 3.11Å; P138-T140 PolarHBondContact O-N 3.2Å |
| 139 | P | 55.3 | Low | 59.3 | Low | 117 Ų | 117 | 109 Ų | 109 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 116.4 | -177.4 | 22.1 | -32 | 0 | 0 | 0 | 108.7 | V141 | P139-V141 VanDerWaalsContact C-N 3.34Å; P139-V141 PolarHBondContact O-N 2.86Å |
| 140 | T | 64.4 | Low | 58.7 | Low | 120 Ų | 120 | 112 Ų | 112 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | trans | -59.9 | 103.3 | 167.5 | -57.8 | 0 | 0 | 0 | 0 | 106.1 | P138 V142 | P138-T140 PolarHBondContact O-N 3.2Å; T140-V142 VanDerWaalsContact C-N 3.27Å; T140-V142 HydrophobicContact CG2-CG2 4.44Å; T140-V142 PolarHBondContact O-N 3Å | ||
| 141 | V | 59.4 | Low | 58.4 | Low | 118 Ų | 118 | 114.1 Ų | 114.1 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | trans | -63.6 | 97.6 | 166.5 | 179.6 | 0 | 0 | 0 | 0 | 105.5 | P139 V143 | P139-V141 VanDerWaalsContact C-N 3.34Å; P139-V141 PolarHBondContact O-N 2.86Å; V141-V143 VanDerWaalsContact C-N 3.27Å; V141-V143 HydrophobicContact CG1-CG2 3.99Å; V141-V143 PolarHBondContact O-N 3.05Å | ||
| 142 | V | 63 | Low | 58.5 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | trans | -67.4 | 95.2 | 167.5 | 179.3 | 0 | 0 | 0 | 0 | 105.6 | T140 T144 | T140-V142 VanDerWaalsContact C-N 3.27Å; T140-V142 HydrophobicContact CG2-CG2 4.44Å; T140-V142 PolarHBondContact O-N 3Å; V142-T144 VanDerWaalsContact C-N 3.26Å; V142-T144 PolarHBondContact O-N 2.81Å | ||
| 143 | V | 62 | Low | 58.6 | Low | 121 Ų | 121 | 114.4 Ų | 114.4 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | trans | -71.2 | 92.1 | 167.9 | -179 | 0 | 0 | 0 | 0 | 106.2 | V141 S145 | V141-V143 VanDerWaalsContact C-N 3.27Å; V141-V143 HydrophobicContact CG1-CG2 3.99Å; V141-V143 PolarHBondContact O-N 3.05Å; V143-S145 PolarHBondContact O-N 2.93Å | ||
| 144 | T | 59.1 | Low | 58.4 | Low | 114 Ų | 114 | 111.9 Ų | 111.9 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -67.3 | 99.9 | 167.6 | -44.5 | 0 | 0 | 0 | 0 | 106.9 | V142 S146 | V142-T144 VanDerWaalsContact C-N 3.26Å; V142-T144 PolarHBondContact O-N 2.81Å; T144-S146 VanDerWaalsContact C-N 3.27Å; T144-S146 PolarHBondContact O-N 3.37Å | ||
| 145 | S | 58.7 | Low | 58.5 | Low | 104 Ų | 104 | 115 Ų | 115 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -66.3 | 91.6 | 166.9 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | V143 T147 | V143-S145 PolarHBondContact O-N 2.93Å; S145-T147 PolarHBondContact O-N 3.5Å | ||
| 146 | S | 60 | Low | 58.3 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | -69 | 108.2 | 167.1 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | T144 V148 | T144-S146 VanDerWaalsContact C-N 3.27Å; T144-S146 PolarHBondContact O-N 3.37Å; S146-V148 PolarHBondContact O-N 3.4Å | ||
| 147 | T | 57.6 | Low | 58.5 | Low | 126 Ų | 126 | 123.8 Ų | 123.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 107.3 | 168.1 | -44.8 | 0 | 0 | 0 | 0 | 108.4 | S145 N149 | S145-T147 PolarHBondContact O-N 3.5Å; T147-N149 PolarHBondContact O-N 3.31Å | ||
| 148 | V | 61.4 | Low | 58.6 | Low | 116 Ų | 116 | 123.5 Ų | 123.5 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | trans | -69.4 | 109.7 | 173.7 | 169.5 | 0 | 0 | 0 | 0 | 108 | S146 T150 | S146-V148 PolarHBondContact O-N 3.4Å; V148-T150 HydrophobicContact CG1-CG2 4.39Å; V148-T150 PolarHBondContact O-N 3.43Å | ||
| 149 | N | 54.9 | Low | 58.5 | Low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -69.9 | 104.3 | 164.6 | -79.9 | -19.4 | 0 | 0 | 0 | 108.6 | T147 V151 | T147-N149 PolarHBondContact O-N 3.31Å; N149-V151 PolarHBondContact O-N 3.24Å | ||
| 150 | T | 57.9 | Low | 58.6 | Low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -74 | 98.5 | 164.9 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | V148 G152 | V148-T150 HydrophobicContact CG1-CG2 4.39Å; V148-T150 PolarHBondContact O-N 3.43Å; T150-G152 PolarHBondContact O-N 3.06Å | ||
| 151 | V | 61 | Low | 58.3 | Low | 138 Ų | 138 | 125.3 Ų | 125.3 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -71.3 | 114.3 | 163.1 | 175.5 | 0 | 0 | 0 | 0 | 107.4 | N149 | N149-V151 PolarHBondContact O-N 3.24Š| ||
| 152 | G | 63.4 | Low | 58.2 | Low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 144.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T150 | T150-G152 PolarHBondContact O-N 3.06Š|
| 153 | P | 60.7 | Low | 57.9 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 145.6 | -179.5 | 32.1 | -31.9 | 0 | 0 | 0 | 110.9 | ||
| 154 | G | 53.3 | Low | 57.6 | Low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 154.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 155 | N | 55.8 | Low | 57.5 | Low | 175 Ų | 175 | 128.2 Ų | 128.2 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -116.7 | 105.5 | 155.1 | -93.3 | -5.1 | 0 | 0 | 0 | 107.7 | ||||
| 156 | S | 50 | Low | 57.4 | Low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -99.5 | 106.7 | 159.1 | 50.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 157 | H | 53 | Low | 57.2 | Low | 269 Ų | 269 | 133.4 Ų | 133.4 | 100% | 1.245 | 82% | 0.819 | S | S | * | * | trans | -169.7 | 0 | 148.6 | -97.2 | -63.4 | 0 | 0 | 0 | 108.9 |
Retrieved 157 of 157 residues in 775 ms
(Link to these results)