| 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 | 42.8 | Very low | 62.4 | Low | 238 Ų | 238 | 117.5 Ų | 117.5 | 100% | 1.172 | 56% | 0.561 | S | S | * | * | 0 | 103.3 | 0 | -72.5 | 176.7 | 175.4 | 0 | 0 | 106.9 | F3 | M1-F3 PolarHBondContact O-N 2.92Š| |||
| 2 | E | 49 | Very low | 63.3 | Low | 190 Ų | 190 | 116.6 Ų | 116.6 | 89% | 0.888 | 56% | 0.56 | S | S | * | * | trans | -71.5 | 96.1 | 179.3 | -152.4 | 165.5 | 115.5 | 0 | 0 | 106.9 | N4 | E2-N4 PolarHBondContact O-N 2.71Š| ||
| 3 | F | 52.7 | Low | 63.7 | Low | 132 Ų | 132 | 110.7 Ų | 110.7 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | trans | -68.5 | 88.8 | 176.6 | -147.5 | -92.3 | 0 | 0 | 0 | 106.3 | M1 N5 L8 | M1-F3 PolarHBondContact O-N 2.92Å; F3-N5 PolarHBondContact O-N 3.34Å; F3-L8 HydrophobicContact CD1-CD1 3.9Å; F3-L8 HydrophobicContact CD1-CD2 4.28Å; F3-L8 HydrophobicContact CD1-CG 3.69Å; F3-L8 HydrophobicContact CE1-CD1 4.4Å; F3-L8 HydrophobicContact CE1-CD2 3.95Å; F3-L8 HydrophobicContact CE1-CG 3.74Å | ||
| 4 | N | 67.8 | Low | 64.2 | Low | 76 Ų | 76 | 105.2 Ų | 105.2 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | trans | -59 | 124 | -167.3 | -163.3 | 6.6 | 0 | 0 | 0 | 108.7 | E2 R6 L7 | E2-N4 PolarHBondContact O-N 2.71Å; N4-R6 PolarHBondContact O-N 3.23Å; N4-L7 PolarHBondContact O-N 3.2Å | ||
| 5 | N | 64.4 | Low | 65 | Low | 131 Ų | 131 | 103.5 Ų | 103.5 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -48.8 | -25.1 | -179.7 | -79.7 | -3.2 | 0 | 0 | 0 | 113.2 | F3 L9 | F3-N5 PolarHBondContact O-N 3.34Å; N5-L9 PolarHBondContact O-N 3.42Å; N5-L9 VanDerWaalsContact O-N 3.11Å |
| 6 | R | 65.1 | Low | 65.4 | Low | 186 Ų | 186 | 101.4 Ų | 101.4 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 172.6 | -83.7 | -158.3 | -95.3 | -111.4 | 1 | 115.1 | N4 K10 | N4-R6 PolarHBondContact O-N 3.23Å; R6-K10 PolarHBondContact O-N 2.98Å |
| 7 | L | 68.3 | Low | 65.7 | Low | 58 Ų | 58 | 95.5 Ų | 95.5 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72 | -42.4 | 177.7 | -89.5 | 166.3 | 0 | 0 | 0 | 110.9 | N4 L9 K10 I11 H57 V58 | N4-L7 PolarHBondContact O-N 3.2Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 2.96Å; L7-K10 PolarHBondContact O-N 3.44Å; L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 2.77Å; L7-H57 HydrophobicContact CD2-CB 4.44Å; L7-V58 HydrophobicContact CD2-CG2 4.42Å |
| 8 | L | 66.9 | Low | 66.3 | Low | 74 Ų | 74 | 93.1 Ų | 93.1 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 174.1 | -88.6 | 166.2 | 0 | 0 | 0 | 111.7 | F3 K10 I11 I12 | F3-L8 HydrophobicContact CD1-CD1 3.9Å; F3-L8 HydrophobicContact CD1-CD2 4.28Å; F3-L8 HydrophobicContact CD1-CG 3.69Å; F3-L8 HydrophobicContact CE1-CD1 4.4Å; F3-L8 HydrophobicContact CE1-CD2 3.95Å; F3-L8 HydrophobicContact CE1-CG 3.74Å; L8-K10 PolarHBondContact O-N 3.27Å; L8-I11 PolarHBondContact O-N 3.49Å; L8-I12 WeakPolarHBondContact O-CB 3.38Å; L8-I12 WeakPolarHBondContact O-CD1 3.33Å; L8-I12 VanDerWaalsContact O-CG1 3.23Å; L8-I12 WeakPolarHBondContact O-CG1 3.29Å; L8-I12 PolarHBondContact O-N 3.06Å |
| 9 | L | 67.4 | Low | 66.6 | Low | 77 Ų | 77 | 92.1 Ų | 92.1 | 40% | 0.403 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 178.8 | -153.1 | 101.2 | 0 | 0 | 0 | 112 | N5 L7 I11 I12 E13 | N5-L9 PolarHBondContact O-N 3.42Å; N5-L9 VanDerWaalsContact O-N 3.11Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 2.96Å; L9-I11 PolarHBondContact O-N 3.41Å; L9-I12 PolarHBondContact O-N 3.45Å; L9-E13 WeakPolarHBondContact O-CG 3.47Å; L9-E13 PolarHBondContact O-N 2.96Å |
| 10 | K | 68.4 | Low | 66.6 | Low | 45 Ų | 45 | 87.7 Ų | 87.7 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 177.8 | -80.1 | -178.9 | 166.3 | 173.4 | 0 | 112.9 | R6 L7 L8 L14 H57 D68 | R6-K10 PolarHBondContact O-N 2.98Å; L7-K10 PolarHBondContact O-N 3.44Å; L8-K10 PolarHBondContact O-N 3.27Å; K10-L14 WeakPolarHBondContact O-CB 3.43Å; K10-L14 PolarHBondContact O-N 3.14Å; K10-H57 PolarHBondContact NZ-CD2 2.9Å; K10-H57 PolarHBondContact NZ-CE1 3.46Å; K10-H57 PolarHBondContact NZ-NE2 2.95Å; K10-D68 VanDerWaalsContact CE-OD2 3.23Å; K10-D68 WeakPolarHBondContact CE-OD2 3.47Å; K10-D68 IonicContact NZ-OD1 3.95Å; K10-D68 IonicContact NZ-OD2 2.64Å; K10-D68 PolarHBondContact NZ-OD2 2.77Å |
| 11 | I | 73.2 | Confident | 66.8 | Low | 85 Ų | 85 | 84.1 Ų | 84.1 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.8 | -66.5 | 168.9 | 0 | 0 | 0 | 110.2 | L7 L8 L9 E13 L14 V15 | L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 2.77Å; L8-I11 PolarHBondContact O-N 3.49Å; L9-I11 PolarHBondContact O-N 3.41Å; I11-E13 PolarHBondContact O-N 3.06Å; I11-L14 PolarHBondContact O-N 3.46Å; I11-V15 HydrophobicContact CG2-CG2 4.46Å; I11-V15 WeakPolarHBondContact O-CG2 3.42Å; I11-V15 PolarHBondContact O-N 3.47Å |
| 12 | I | 73.4 | Confident | 68.2 | Low | 107 Ų | 107 | 77.7 Ų | 77.7 | 55% | 0.549 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 177.1 | -69.5 | 165 | 0 | 0 | 0 | 110.7 | L8 L9 L14 V15 F16 | L8-I12 WeakPolarHBondContact O-CB 3.38Å; L8-I12 WeakPolarHBondContact O-CD1 3.33Å; L8-I12 VanDerWaalsContact O-CG1 3.23Å; L8-I12 WeakPolarHBondContact O-CG1 3.29Å; L8-I12 PolarHBondContact O-N 3.06Å; L9-I12 PolarHBondContact O-N 3.45Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.23Å; I12-V15 PolarHBondContact O-N 3.46Å; I12-F16 WeakPolarHBondContact O-CB 3.47Å; I12-F16 PolarHBondContact O-N 2.86Å |
| 13 | E | 68.7 | Low | 69.1 | Low | 40 Ų | 40 | 70.7 Ų | 70.7 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 175.6 | -76.8 | -175.5 | 149.1 | 0 | 0 | 112 | L9 I11 F16 I17 | L9-E13 WeakPolarHBondContact O-CG 3.47Å; L9-E13 PolarHBondContact O-N 2.96Å; I11-E13 PolarHBondContact O-N 3.06Å; E13-F16 PolarHBondContact O-N 3.16Å; E13-I17 VanDerWaalsContact O-CG1 3.26Å; E13-I17 WeakPolarHBondContact O-CG1 3.42Å; E13-I17 PolarHBondContact O-N 2.96Å; E13-I17 VanDerWaalsContact O-N 3.11Å |
| 14 | L | 71.3 | Confident | 69.7 | Low | 34 Ų | 34 | 65.5 Ų | 65.5 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | -179.9 | -165.6 | 123.7 | 0 | 0 | 0 | 111.8 | K10 I11 I12 F16 I17 V18 C50 | K10-L14 WeakPolarHBondContact O-CB 3.43Å; K10-L14 PolarHBondContact O-N 3.14Å; I11-L14 PolarHBondContact O-N 3.46Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.23Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.43Å; L14-I17 PolarHBondContact O-N 3.21Å; L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.36Å; L14-V18 PolarHBondContact O-N 2.93Å; L14-V18 VanDerWaalsContact O-N 3.09Å; L14-C50 HydrophobicContact CD1-CB 4.22Å |
| 15 | V | 76.1 | Confident | 69.8 | Low | 80 Ų | 80 | 67.4 Ų | 67.4 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 175.6 | 169 | 0 | 0 | 0 | 0 | 110.7 | I11 I12 I17 V18 T19 | I11-V15 HydrophobicContact CG2-CG2 4.46Å; I11-V15 WeakPolarHBondContact O-CG2 3.42Å; I11-V15 PolarHBondContact O-N 3.47Å; I12-V15 PolarHBondContact O-N 3.46Å; V15-I17 PolarHBondContact O-N 3.17Å; V15-V18 PolarHBondContact O-N 3.36Å; V15-T19 PolarHBondContact O-N 3.45Å; V15-T19 PolarHBondContact O-OG1 3.45Å; V15-T19 VanDerWaalsContact O-OG1 3.08Å |
| 16 | F | 70.6 | Confident | 69.7 | Low | 70 Ų | 70 | 64.8 Ų | 64.8 | 31% | 0.307 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.2 | -35.5 | -177.9 | -156.6 | -75.4 | 0 | 0 | 0 | 112.8 | I12 E13 L14 S20 L109 N113 | I12-F16 WeakPolarHBondContact O-CB 3.47Å; I12-F16 PolarHBondContact O-N 2.86Å; E13-F16 PolarHBondContact O-N 3.16Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.43Å; F16-S20 PolarHBondContact O-N 3.19Å; F16-S20 VanDerWaalsContact O-N 3.09Å; F16-S20 PolarHBondContact O-OG 3.2Å; F16-L109 HydrophobicContact CD1-CD2 4.47Å; F16-L109 HydrophobicContact CE1-CD1 4.46Å; F16-L109 HydrophobicContact CE1-CD2 3.66Å; F16-L109 HydrophobicContact CE1-CG 3.62Å; F16-L109 HydrophobicContact CZ-CD1 3.95Å; F16-L109 HydrophobicContact CZ-CD2 3.87Å; F16-L109 HydrophobicContact CZ-CG 3.59Å; F16-N113 WeakPolarHBondContact CD1-ND2 3.36Å; F16-N113 WeakPolarHBondContact CD1-OD1 3.35Å; F16-N113 WeakPolarHBondContact CE1-ND2 3.43Å; F16-N113 WeakPolarHBondContact CE1-OD1 3.49Å |
| 17 | I | 71.4 | Confident | 69.6 | Low | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 171.8 | -60.5 | 159.7 | 0 | 0 | 0 | 110.1 | E13 L14 V15 T19 S20 I21 Y46 L47 F79 R117 | E13-I17 VanDerWaalsContact O-CG1 3.26Å; E13-I17 WeakPolarHBondContact O-CG1 3.42Å; E13-I17 PolarHBondContact O-N 2.96Å; E13-I17 VanDerWaalsContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 3.21Å; V15-I17 PolarHBondContact O-N 3.17Å; I17-T19 VanDerWaalsContact C-N 3.33Å; I17-T19 PolarHBondContact O-N 3.04Å; I17-S20 WeakPolarHBondContact O-CB 3.47Å; I17-S20 PolarHBondContact O-N 3.42Å; I17-S20 VanDerWaalsContact O-N 3.1Å; I17-I21 HydrophobicContact CG2-CD1 4.05Å; I17-I21 HydrophobicContact CG2-CG1 4.36Å; I17-I21 WeakPolarHBondContact O-CG1 3.44Å; I17-I21 PolarHBondContact O-N 3.38Å; I17-Y46 HydrophobicContact CD1-CE1 4.27Å; I17-L47 HydrophobicContact CG2-CD1 4.05Å; I17-L47 HydrophobicContact CG2-CG 4.36Å; I17-F79 HydrophobicContact CG1-CE2 4.17Å; I17-F79 HydrophobicContact CG2-CE2 4.21Å; I17-R117 VanDerWaalsContact CG1-NH2 3.33Å |
| 18 | V | 75 | Confident | 69.2 | Low | 52 Ų | 52 | 56.8 Ų | 56.8 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | -178.7 | 173 | 0 | 0 | 0 | 0 | 110.3 | L14 V15 S20 I21 I22 L47 | L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.36Å; L14-V18 PolarHBondContact O-N 2.93Å; L14-V18 VanDerWaalsContact O-N 3.09Å; V15-V18 PolarHBondContact O-N 3.36Å; V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 3.05Å; V18-I21 PolarHBondContact O-N 2.92Å; V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.25Å; V18-I22 PolarHBondContact O-N 3.22Å; V18-L47 HydrophobicContact CG2-CD1 3.8Å; V18-L47 HydrophobicContact CG2-CD2 4.44Å; V18-L47 HydrophobicContact CG2-CG 4.45Å |
| 19 | T | 71.9 | Confident | 68.6 | Low | 74 Ų | 74 | 59.1 Ų | 59.1 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 177 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | V15 I17 I21 I22 L23 | V15-T19 PolarHBondContact O-N 3.45Å; V15-T19 PolarHBondContact O-OG1 3.45Å; V15-T19 VanDerWaalsContact O-OG1 3.08Å; I17-T19 VanDerWaalsContact C-N 3.33Å; I17-T19 PolarHBondContact O-N 3.04Å; T19-I21 VanDerWaalsContact C-N 3.35Å; T19-I21 PolarHBondContact O-N 3.01Å; T19-I22 PolarHBondContact O-N 3.05Å; T19-L23 WeakPolarHBondContact O-CB 3.23Å; T19-L23 PolarHBondContact O-N 3.46Å |
| 20 | S | 67.8 | Low | 67.8 | Low | 5 Ų | 5 | 63.6 Ų | 63.6 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 177.9 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | F16 I17 V18 I24 N113 | F16-S20 PolarHBondContact O-N 3.19Å; F16-S20 VanDerWaalsContact O-N 3.09Å; F16-S20 PolarHBondContact O-OG 3.2Å; I17-S20 WeakPolarHBondContact O-CB 3.47Å; I17-S20 PolarHBondContact O-N 3.42Å; I17-S20 VanDerWaalsContact O-N 3.1Å; V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 3.05Å; S20-I24 WeakPolarHBondContact O-CD1 3.5Å; S20-I24 WeakPolarHBondContact O-CG1 3.44Å; S20-I24 PolarHBondContact O-N 2.87Å; S20-N113 PolarHBondContact OG-ND2 2.93Å; S20-N113 VanDerWaalsContact OG-ND2 3.11Å |
| 21 | I | 71.4 | Confident | 67 | Low | 13 Ų | 13 | 63.7 Ų | 63.7 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.7 | -47 | 177.5 | -67.2 | -177.2 | 0 | 0 | 0 | 111 | I17 V18 T19 L23 I24 E25 L43 L47 | I17-I21 HydrophobicContact CG2-CD1 4.05Å; I17-I21 HydrophobicContact CG2-CG1 4.36Å; I17-I21 WeakPolarHBondContact O-CG1 3.44Å; I17-I21 PolarHBondContact O-N 3.38Å; V18-I21 PolarHBondContact O-N 2.92Å; T19-I21 VanDerWaalsContact C-N 3.35Å; T19-I21 PolarHBondContact O-N 3.01Å; I21-L23 PolarHBondContact O-N 3.42Å; I21-I24 PolarHBondContact O-N 3.41Å; I21-I24 VanDerWaalsContact O-N 3.13Å; I21-E25 WeakPolarHBondContact O-CB 3.45Å; I21-E25 PolarHBondContact O-N 3.37Å; I21-L43 HydrophobicContact CD1-CB 4.05Å; I21-L43 HydrophobicContact CG1-CB 4.3Å; I21-L47 HydrophobicContact CD1-CB 4.3Å; I21-L47 HydrophobicContact CD1-CD1 3.42Å; I21-L47 VanDerWaalsContact CD1-CD1 3.42Å; I21-L47 HydrophobicContact CD1-CG 4.49Å |
| 22 | I | 71.9 | Confident | 66.1 | Low | 102 Ų | 102 | 66.6 Ų | 66.6 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 178.1 | -65 | 165.4 | 0 | 0 | 0 | 110.3 | V18 T19 E25 S26 | V18-I22 HydrophobicContact CG1-CD1 3.76Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.25Å; V18-I22 PolarHBondContact O-N 3.22Å; T19-I22 PolarHBondContact O-N 3.05Å; I22-E25 PolarHBondContact O-N 2.92Å; I22-S26 WeakPolarHBondContact O-CB 3.41Å; I22-S26 PolarHBondContact O-N 2.63Å |
| 23 | L | 67.4 | Low | 65.2 | Low | 44 Ų | 44 | 68.3 Ų | 68.3 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 177.6 | -170.7 | 65.3 | 0 | 0 | 0 | 112.2 | T19 I21 I27 L102 | T19-L23 WeakPolarHBondContact O-CB 3.23Å; T19-L23 PolarHBondContact O-N 3.46Å; I21-L23 PolarHBondContact O-N 3.42Å; L23-I27 WeakPolarHBondContact O-CD1 3.46Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-L102 HydrophobicContact CD1-CD1 4.07Å; L23-L102 HydrophobicContact CD1-CG 4.35Å |
| 24 | I | 66.1 | Low | 64.4 | Low | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 175 | -71.5 | 162.3 | 0 | 0 | 0 | 110.9 | S20 I21 I27 S28 L43 I86 | S20-I24 WeakPolarHBondContact O-CD1 3.5Å; S20-I24 WeakPolarHBondContact O-CG1 3.44Å; S20-I24 PolarHBondContact O-N 2.87Å; I21-I24 PolarHBondContact O-N 3.41Å; I21-I24 VanDerWaalsContact O-N 3.13Å; I24-I27 PolarHBondContact O-N 2.97Å; I24-S28 WeakPolarHBondContact O-CB 3.23Å; I24-S28 PolarHBondContact O-N 3.49Å; I24-S28 VanDerWaalsContact O-N 3.16Å; I24-L43 HydrophobicContact CD1-CD1 4.08Å; I24-I86 HydrophobicContact CD1-CD1 3.72Å; I24-I86 HydrophobicContact CG1-CD1 3.85Å |
| 25 | E | 68.2 | Low | 63.7 | Low | 116 Ų | 116 | 79.6 Ų | 79.6 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 178.5 | -165.3 | -174.1 | 146.6 | 0 | 0 | 111 | I21 I22 I27 S28 | I21-E25 WeakPolarHBondContact O-CB 3.45Å; I21-E25 PolarHBondContact O-N 3.37Å; I22-E25 PolarHBondContact O-N 2.92Å; E25-I27 PolarHBondContact O-N 3.47Å; E25-S28 PolarHBondContact O-N 3Å |
| 26 | S | 64.1 | Low | 62.9 | Low | 75 Ų | 75 | 77.1 Ų | 77.1 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16.2 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 114.4 | I22 | I22-S26 WeakPolarHBondContact O-CB 3.41Å; I22-S26 PolarHBondContact O-N 2.63Å |
| 27 | I | 61 | Low | 62.4 | Low | 28 Ų | 28 | 79.6 Ų | 79.6 | 14% | 0.144 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -19.6 | 177.3 | -60.2 | 163.8 | 0 | 0 | 0 | 111.1 | L23 I24 E25 D29 W90 L102 L103 | L23-I27 WeakPolarHBondContact O-CD1 3.46Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; I24-I27 PolarHBondContact O-N 2.97Å; E25-I27 PolarHBondContact O-N 3.47Å; I27-D29 PolarHBondContact O-N 3.46Å; I27-D29 VanDerWaalsContact O-N 3.13Å; I27-W90 HydrophobicContact CG2-CH2 3.9Å; I27-W90 HydrophobicContact CG2-CZ2 4.1Å; I27-W90 HydrophobicContact CG2-CZ3 4.18Å; I27-W90 WeakPolarHBondContact O-CH2 3.33Å; I27-L102 HydrophobicContact CD1-CD2 4.09Å; I27-L102 HydrophobicContact CD1-CG 4.08Å; I27-L102 HydrophobicContact CG1-CD2 3.78Å; I27-L102 HydrophobicContact CG1-CG 4.34Å; I27-L103 HydrophobicContact CD1-CD2 4.17Å; I27-L103 HydrophobicContact CD1-CG 4.27Å; I27-L103 HydrophobicContact CG2-CD1 4.23Å; I27-L103 HydrophobicContact CG2-CD2 3.57Å; I27-L103 HydrophobicContact CG2-CG 3.88Å |
| 28 | S | 60.1 | Low | 62.1 | Low | 49 Ų | 49 | 85.4 Ų | 85.4 | 34% | 0.343 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 9.6 | -170.4 | -165.7 | 0 | 0 | 0 | 0 | 114.2 | I24 E25 M30 | I24-S28 WeakPolarHBondContact O-CB 3.23Å; I24-S28 PolarHBondContact O-N 3.49Å; I24-S28 VanDerWaalsContact O-N 3.16Å; E25-S28 PolarHBondContact O-N 3Å; S28-M30 VanDerWaalsContact C-N 3.26Å; S28-M30 PolarHBondContact O-N 3.34Å; S28-M30 VanDerWaalsContact O-N 3.11Å |
| 29 | D | 54.4 | Low | 61.8 | Low | 122 Ų | 122 | 84 Ų | 84 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22 | -169.3 | -95.9 | -58.5 | 0 | 0 | 0 | 115 | I27 | I27-D29 PolarHBondContact O-N 3.46Å; I27-D29 VanDerWaalsContact O-N 3.13Å |
| 30 | M | 50.6 | Low | 61.6 | Low | 171 Ų | 171 | 82.5 Ų | 82.5 | 84% | 0.842 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -142.9 | -1.3 | -170.9 | -80.2 | -62.1 | 153.2 | 0 | 0 | 120.4 | S28 | S28-M30 VanDerWaalsContact C-N 3.26Å; S28-M30 PolarHBondContact O-N 3.34Å; S28-M30 VanDerWaalsContact O-N 3.11Å |
| 31 | T | 51.4 | Low | 61.6 | Low | 47 Ų | 47 | 84.2 Ų | 84.2 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -144.9 | 119.6 | -173 | 33.1 | 0 | 0 | 0 | 0 | 115.7 | W90 Y93 | T31-W90 WeakPolarHBondContact OG1-CH2 3.41Å; T31-Y93 HydrophobicContact CG2-CD1 4.49Å; T31-Y93 HydrophobicContact CG2-CE1 3.77Å |
| 32 | F | 54.7 | Low | 61.6 | Low | 146 Ų | 146 | 86.8 Ų | 86.8 | 64% | 0.64 | 45% | 0.453 | S | S | * | . | trans | 78.3 | 62.4 | 168.7 | -118.3 | -90.2 | 0 | 0 | 0 | 117.8 | R34 H35 A36 | F32-R34 PolarHBondContact O-N 3.06Å; F32-H35 AromaticContact CD1-CD2 3.8Å; F32-H35 AromaticContact CE1-CD2 3.83Å; F32-H35 PolarHBondContact O-N 2.99Å; F32-A36 PolarHBondContact O-N 3.34Å | ||
| 33 | I | 55 | Low | 61.5 | Low | 144 Ų | 144 | 82 Ų | 82 | 74% | 0.738 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -42.9 | -33.7 | 179.6 | -61.5 | 165 | 0 | 0 | 0 | 114.7 | L37 | I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 PolarHBondContact O-N 3.31Å |
| 34 | R | 52.8 | Low | 61.8 | Low | 212 Ų | 212 | 83.2 Ų | 83.2 | 80% | 0.8 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -80 | -43.8 | -173.5 | -82.2 | -178.1 | 151.6 | -148 | -4.6 | 115.1 | F32 | F32-R34 PolarHBondContact O-N 3.06Å |
| 35 | H | 54.8 | Low | 62.1 | Low | 98 Ų | 98 | 83.8 Ų | 83.8 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -82 | -36.3 | -178.7 | -72.8 | -79.8 | 0 | 0 | 0 | 111.4 | F32 V39 | F32-H35 AromaticContact CD1-CD2 3.8Å; F32-H35 AromaticContact CE1-CD2 3.83Å; F32-H35 PolarHBondContact O-N 2.99Å; H35-V39 WeakPolarHBondContact O-CG2 3.44Å; H35-V39 PolarHBondContact O-N 2.94Å |
| 36 | A | 60.4 | Low | 62.3 | Low | 28 Ų | 28 | 79 Ų | 79 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F32 L38 V39 H40 | F32-A36 PolarHBondContact O-N 3.34Å; A36-L38 PolarHBondContact O-N 3.2Å; A36-V39 PolarHBondContact O-N 3.2Å; A36-H40 WeakPolarHBondContact O-CB 3.31Å; A36-H40 PolarHBondContact O-N 3.37Å |
| 37 | L | 60.5 | Low | 62.7 | Low | 123 Ų | 123 | 77.4 Ų | 77.4 | 64% | 0.644 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 179.6 | -172.8 | 99 | 0 | 0 | 0 | 112.7 | I33 G41 | I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 PolarHBondContact O-N 3.31Å; L37-G41 PolarHBondContact O-N 2.64Å |
| 38 | L | 65.2 | Low | 63.4 | Low | 121 Ų | 121 | 80.9 Ų | 80.9 | 63% | 0.634 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.2 | -47.7 | 177.1 | -109.8 | 164.1 | 0 | 0 | 0 | 111.4 | A36 T42 | A36-L38 PolarHBondContact O-N 3.2Å; L38-T42 PolarHBondContact O-N 3Å; L38-T42 PolarHBondContact O-OG1 2.89Å |
| 39 | V | 66.9 | Low | 64.2 | Low | 23 Ų | 23 | 81.7 Ų | 81.7 | 14% | 0.139 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | H35 A36 T42 L43 A82 I85 | H35-V39 WeakPolarHBondContact O-CG2 3.44Å; H35-V39 PolarHBondContact O-N 2.94Å; A36-V39 PolarHBondContact O-N 3.2Å; V39-T42 WeakPolarHBondContact CA-OG1 3.48Å; V39-T42 PolarHBondContact O-N 3.05Å; V39-T42 PolarHBondContact O-OG1 3.24Å; V39-L43 HydrophobicContact CG1-CD1 3.83Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 PolarHBondContact O-N 3.4Å; V39-A82 HydrophobicContact CG1-CB 3.82Å; V39-I85 HydrophobicContact CG2-CD1 4.25Å |
| 40 | H | 68.8 | Low | 65 | Low | 43 Ų | 43 | 76.8 Ų | 76.8 | 20% | 0.199 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | -179.9 | -164.2 | 78.9 | 0 | 0 | 0 | 112.1 | A36 T42 L43 I44 | A36-H40 WeakPolarHBondContact O-CB 3.31Å; A36-H40 PolarHBondContact O-N 3.37Å; H40-T42 PolarHBondContact O-N 2.96Å; H40-L43 PolarHBondContact O-N 3.15Å; H40-I44 WeakPolarHBondContact CD2-CD1 3.47Å; H40-I44 WeakPolarHBondContact NE2-CD1 3.22Å; H40-I44 WeakPolarHBondContact O-CG1 3.36Å; H40-I44 PolarHBondContact O-N 2.95Å |
| 41 | G | 67.7 | Low | 66.1 | Low | 41 Ų | 41 | 74.3 Ų | 74.3 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L37 G45 | L37-G41 PolarHBondContact O-N 2.64Å; G41-G45 PolarHBondContact O-N 3.15Å |
| 42 | T | 72.1 | Confident | 67.2 | Low | 67 Ų | 67 | 76.6 Ų | 76.6 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 175 | 48 | 0 | 0 | 0 | 0 | 113.1 | L38 V39 H40 G45 Y46 L78 | L38-T42 PolarHBondContact O-N 3Å; L38-T42 PolarHBondContact O-OG1 2.89Å; V39-T42 WeakPolarHBondContact CA-OG1 3.48Å; V39-T42 PolarHBondContact O-N 3.05Å; V39-T42 PolarHBondContact O-OG1 3.24Å; H40-T42 PolarHBondContact O-N 2.96Å; T42-G45 PolarHBondContact O-N 3.26Å; T42-Y46 WeakPolarHBondContact O-CB 3.48Å; T42-Y46 PolarHBondContact O-N 3.17Å; T42-L78 WeakPolarHBondContact O-CD2 3.09Å |
| 43 | L | 68.4 | Low | 67.9 | Low | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 175.4 | -84.5 | 161.5 | 0 | 0 | 0 | 112.1 | I21 I24 V39 H40 Y46 L47 F79 A82 | I21-L43 HydrophobicContact CD1-CB 4.05Å; I21-L43 HydrophobicContact CG1-CB 4.3Å; I24-L43 HydrophobicContact CD1-CD1 4.08Å; V39-L43 HydrophobicContact CG1-CD1 3.83Å; V39-L43 WeakPolarHBondContact O-CB 3.4Å; V39-L43 PolarHBondContact O-N 3.4Å; H40-L43 PolarHBondContact O-N 3.15Å; L43-Y46 WeakPolarHBondContact O-CB 3.11Å; L43-Y46 PolarHBondContact O-N 3.29Å; L43-L47 PolarHBondContact O-N 3.35Å; L43-F79 HydrophobicContact CD2-CD2 4.41Å; L43-F79 HydrophobicContact CD2-CE2 4.08Å; L43-F79 HydrophobicContact CD2-CZ 4.41Å; L43-A82 HydrophobicContact CD1-CB 4.36Å |
| 44 | I | 73.8 | Confident | 68.5 | Low | 69 Ų | 69 | 65.6 Ų | 65.6 | 35% | 0.354 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.1 | -73.4 | 164.6 | 0 | 0 | 0 | 111 | H40 Y46 L47 I48 | H40-I44 WeakPolarHBondContact CD2-CD1 3.47Å; H40-I44 WeakPolarHBondContact NE2-CD1 3.22Å; H40-I44 WeakPolarHBondContact O-CG1 3.36Å; H40-I44 PolarHBondContact O-N 2.95Å; I44-Y46 PolarHBondContact O-N 3.42Å; I44-L47 WeakPolarHBondContact O-CB 3.15Å; I44-L47 PolarHBondContact O-N 3.02Å; I44-I48 HydrophobicContact CG2-CD1 3.88Å; I44-I48 HydrophobicContact CG2-CG1 4.48Å; I44-I48 WeakPolarHBondContact O-CG1 3.26Å; I44-I48 PolarHBondContact O-N 3.38Å |
| 45 | G | 73.1 | Confident | 69.5 | Low | 34 Ų | 34 | 58.8 Ų | 58.8 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -36.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G41 T42 T49 | G41-G45 PolarHBondContact O-N 3.15Å; T42-G45 PolarHBondContact O-N 3.26Å; G45-T49 PolarHBondContact O-N 3.35Å; G45-T49 PolarHBondContact O-OG1 3.03Å |
| 46 | Y | 71.9 | Confident | 70.3 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 171.9 | -167.2 | -99.9 | 0 | 0 | 0 | 111.5 | I17 T42 L43 I44 I48 T49 C50 F71 G75 L78 R117 | I17-Y46 HydrophobicContact CD1-CE1 4.27Å; T42-Y46 WeakPolarHBondContact O-CB 3.48Å; T42-Y46 PolarHBondContact O-N 3.17Å; L43-Y46 WeakPolarHBondContact O-CB 3.11Å; L43-Y46 PolarHBondContact O-N 3.29Å; I44-Y46 PolarHBondContact O-N 3.42Å; Y46-I48 VanDerWaalsContact C-N 3.34Å; Y46-I48 PolarHBondContact O-N 3.5Å; Y46-T49 PolarHBondContact O-N 3.05Å; Y46-C50 PolarHBondContact O-N 3.18Å; Y46-F71 HydrophobicContact CD1-CE1 4.2Å; Y46-F71 AromaticContact CD1-CZ 3.86Å; Y46-F71 HydrophobicContact CD1-CZ 3.86Å; Y46-F71 HydrophobicContact CD2-CD2 4.4Å; Y46-F71 HydrophobicContact CD2-CE1 4.13Å; Y46-F71 AromaticContact CD2-CE2 3.5Å; Y46-F71 HydrophobicContact CD2-CE2 3.5Å; Y46-F71 VanDerWaalsContact CD2-CE2 3.5Å; Y46-F71 AromaticContact CD2-CZ 3.34Å; Y46-F71 HydrophobicContact CD2-CZ 3.34Å; Y46-F71 HydrophobicContact CE1-CD1 4.45Å; Y46-F71 AromaticContact CE1-CE1 3.54Å; Y46-F71 HydrophobicContact CE1-CE1 3.54Å; Y46-F71 AromaticContact CE1-CZ 3.64Å; Y46-F71 HydrophobicContact CE1-CZ 3.64Å; Y46-F71 AromaticContact CE2-CD1 3.95Å; Y46-F71 HydrophobicContact CE2-CD1 3.95Å; Y46-F71 AromaticContact CE2-CD2 3.84Å; Y46-F71 HydrophobicContact CE2-CD2 3.84Å; Y46-F71 AromaticContact CE2-CE1 3.46Å; Y46-F71 HydrophobicContact CE2-CE1 3.46Å; Y46-F71 VanDerWaalsContact CE2-CE1 3.46Å; Y46-F71 AromaticContact CE2-CE2 3.3Å; Y46-F71 HydrophobicContact CE2-CE2 3.3Å; Y46-F71 HydrophobicContact CE2-CG 4.11Å; Y46-F71 AromaticContact CE2-CZ 3.09Å; Y46-F71 HydrophobicContact CE2-CZ 3.09Å; Y46-F71 WeakPolarHBondContact CE2-O 3.05Å; Y46-F71 HydrophobicContact CG-CE1 4.45Å; Y46-F71 HydrophobicContact CG-CE2 4.25Å; Y46-F71 AromaticContact CG-CZ 3.7Å; Y46-F71 HydrophobicContact CG-CZ 3.7Å; Y46-F71 AromaticContact CZ-CD1 3.65Å; Y46-F71 AromaticContact CZ-CE1 3.09Å; Y46-F71 AromaticContact CZ-CE2 3.9Å; Y46-F71 AromaticContact CZ-CZ 3.22Å; Y46-F71 VanDerWaalsContact O-CZ 3.25Å; Y46-F71 WeakPolarHBondContact O-CZ 3.48Å; Y46-F71 WeakPolarHBondContact OH-CD1 3.21Å; Y46-F71 WeakPolarHBondContact OH-CE1 2.95Å; Y46-F71 PolarHBondContact OH-O 2.98Å; Y46-G75 WeakPolarHBondContact OH-CA 3.24Å; Y46-G75 PolarHBondContact OH-N 3.38Å; Y46-L78 HydrophobicContact CD2-CD2 4.26Å; Y46-L78 HydrophobicContact CG-CD2 4.15Å; Y46-R117 PolarHBondContact OH-NH1 3.41Å |
| 47 | L | 72.6 | Confident | 70.5 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 179.8 | -158.2 | 156.6 | 0 | 0 | 0 | 112.1 | I17 V18 I21 L43 I44 T49 C50 F51 | I17-L47 HydrophobicContact CG2-CD1 4.05Å; I17-L47 HydrophobicContact CG2-CG 4.36Å; V18-L47 HydrophobicContact CG2-CD1 3.8Å; V18-L47 HydrophobicContact CG2-CD2 4.44Å; V18-L47 HydrophobicContact CG2-CG 4.45Å; I21-L47 HydrophobicContact CD1-CB 4.3Å; I21-L47 HydrophobicContact CD1-CD1 3.42Å; I21-L47 VanDerWaalsContact CD1-CD1 3.42Å; I21-L47 HydrophobicContact CD1-CG 4.49Å; L43-L47 PolarHBondContact O-N 3.35Å; I44-L47 WeakPolarHBondContact O-CB 3.15Å; I44-L47 PolarHBondContact O-N 3.02Å; L47-T49 PolarHBondContact O-N 2.98Å; L47-C50 WeakPolarHBondContact O-CB 3.34Å; L47-C50 PolarHBondContact O-N 2.94Å; L47-F51 PolarHBondContact O-N 3.32Å |
| 48 | I | 76.3 | Confident | 70.8 | Confident | 102 Ų | 102 | 56 Ų | 56 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.8 | -64.3 | 165.1 | 0 | 0 | 0 | 110.8 | I44 Y46 C50 F51 V52 | I44-I48 HydrophobicContact CG2-CD1 3.88Å; I44-I48 HydrophobicContact CG2-CG1 4.48Å; I44-I48 WeakPolarHBondContact O-CG1 3.26Å; I44-I48 PolarHBondContact O-N 3.38Å; Y46-I48 VanDerWaalsContact C-N 3.34Å; Y46-I48 PolarHBondContact O-N 3.5Å; I48-C50 VanDerWaalsContact C-N 3.32Å; I48-C50 PolarHBondContact O-N 2.83Å; I48-F51 WeakPolarHBondContact O-CB 3.47Å; I48-F51 PolarHBondContact O-N 3Å; I48-V52 WeakPolarHBondContact O-CG2 3.37Å; I48-V52 PolarHBondContact O-N 2.68Å |
| 49 | T | 76.9 | Confident | 71.2 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 179.7 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | G45 Y46 L47 F51 V52 I53 F71 | G45-T49 PolarHBondContact O-N 3.35Å; G45-T49 PolarHBondContact O-OG1 3.03Å; Y46-T49 PolarHBondContact O-N 3.05Å; L47-T49 PolarHBondContact O-N 2.98Å; T49-F51 VanDerWaalsContact C-N 3.32Å; T49-F51 PolarHBondContact O-N 3.44Å; T49-V52 PolarHBondContact O-N 3.25Å; T49-I53 HydrophobicContact CG2-CD1 4.16Å; T49-I53 WeakPolarHBondContact O-CG1 3.41Å; T49-I53 PolarHBondContact O-N 3.46Å; T49-I53 VanDerWaalsContact O-N 3.14Å; T49-F71 HydrophobicContact CG2-CD2 3.63Å; T49-F71 HydrophobicContact CG2-CE2 3.22Å; T49-F71 HydrophobicContact CG2-CZ 4.02Å |
| 50 | C | 70.9 | Confident | 70.8 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 12% | 0.122 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.6 | -154.7 | 0 | 0 | 0 | 0 | 111.8 | L14 Y46 L47 I48 I53 A54 F71 | L14-C50 HydrophobicContact CD1-CB 4.22Å; Y46-C50 PolarHBondContact O-N 3.18Å; L47-C50 WeakPolarHBondContact O-CB 3.34Å; L47-C50 PolarHBondContact O-N 2.94Å; I48-C50 VanDerWaalsContact C-N 3.32Å; I48-C50 PolarHBondContact O-N 2.83Å; C50-I53 PolarHBondContact O-N 2.96Å; C50-A54 WeakPolarHBondContact O-CB 3.28Å; C50-A54 PolarHBondContact O-N 3.24Å; C50-F71 HydrophobicContact CB-CE1 3.5Å; C50-F71 VanDerWaalsContact CB-CE1 3.5Å; C50-F71 HydrophobicContact CB-CZ 3.75Å; C50-F71 VanDerWaalsContact SG-CE1 3.59Å |
| 51 | F | 73.4 | Confident | 70.6 | Confident | 120 Ų | 120 | 58.3 Ų | 58.3 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.9 | -173 | -95.7 | 0 | 0 | 0 | 111.6 | L47 I48 T49 I53 A54 T55 | L47-F51 PolarHBondContact O-N 3.32Å; I48-F51 WeakPolarHBondContact O-CB 3.47Å; I48-F51 PolarHBondContact O-N 3Å; T49-F51 VanDerWaalsContact C-N 3.32Å; T49-F51 PolarHBondContact O-N 3.44Å; F51-I53 VanDerWaalsContact C-N 3.31Å; F51-I53 PolarHBondContact O-N 2.84Å; F51-A54 PolarHBondContact O-N 3.45Å; F51-A54 VanDerWaalsContact O-N 3.16Å; F51-T55 PolarHBondContact O-N 3.26Å; F51-T55 PolarHBondContact O-OG1 3.41Å; F51-T55 VanDerWaalsContact O-OG1 3.05Å |
| 52 | V | 73.9 | Confident | 70.1 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 58% | 0.576 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58 | -43.4 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | I48 T49 T55 G56 | I48-V52 WeakPolarHBondContact O-CG2 3.37Å; I48-V52 PolarHBondContact O-N 2.68Å; T49-V52 PolarHBondContact O-N 3.25Å; V52-T55 PolarHBondContact O-N 2.97Å; V52-G56 PolarHBondContact O-N 2.92Å |
| 53 | I | 71 | Confident | 69.6 | Low | 30 Ų | 30 | 61.9 Ų | 61.9 | 15% | 0.154 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 177.3 | -64.9 | 165.7 | 0 | 0 | 0 | 110.7 | T49 C50 F51 G56 H57 V63 F71 | T49-I53 HydrophobicContact CG2-CD1 4.16Å; T49-I53 WeakPolarHBondContact O-CG1 3.41Å; T49-I53 PolarHBondContact O-N 3.46Å; T49-I53 VanDerWaalsContact O-N 3.14Å; C50-I53 PolarHBondContact O-N 2.96Å; F51-I53 VanDerWaalsContact C-N 3.31Å; F51-I53 PolarHBondContact O-N 2.84Å; I53-G56 PolarHBondContact O-N 3.09Å; I53-H57 PolarHBondContact O-CD2 3.38Å; I53-H57 PolarHBondContact O-N 2.85Å; I53-V63 HydrophobicContact CG2-CG1 4.38Å; I53-F71 HydrophobicContact CD1-CB 4.13Å; I53-F71 HydrophobicContact CD1-CD1 4.12Å; I53-F71 HydrophobicContact CD1-CD2 4.06Å; I53-F71 HydrophobicContact CD1-CG 3.8Å |
| 54 | A | 67.5 | Low | 69.6 | Low | 28 Ų | 28 | 66.9 Ų | 66.9 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | C50 F51 G56 H57 V58 | C50-A54 WeakPolarHBondContact O-CB 3.28Å; C50-A54 PolarHBondContact O-N 3.24Å; F51-A54 PolarHBondContact O-N 3.45Å; F51-A54 VanDerWaalsContact O-N 3.16Å; A54-G56 VanDerWaalsContact C-N 3.32Å; A54-G56 PolarHBondContact O-N 3.29Å; A54-H57 PolarHBondContact O-N 3.38Å; A54-V58 WeakPolarHBondContact O-CG2 3.38Å; A54-V58 PolarHBondContact O-N 2.95Å |
| 55 | T | 73.1 | Confident | 69.3 | Low | 69 Ų | 69 | 70.7 Ų | 70.7 | 42% | 0.423 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.6 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | F51 V52 H57 V58 S59 | F51-T55 PolarHBondContact O-N 3.26Å; F51-T55 PolarHBondContact O-OG1 3.41Å; F51-T55 VanDerWaalsContact O-OG1 3.05Å; V52-T55 PolarHBondContact O-N 2.97Å; T55-H57 VanDerWaalsContact C-N 3.31Å; T55-H57 PolarHBondContact O-N 3.23Å; T55-V58 PolarHBondContact O-N 3.49Å; T55-S59 WeakPolarHBondContact O-CB 3.36Å; T55-S59 PolarHBondContact O-N 3.48Å |
| 56 | G | 70.9 | Confident | 69.2 | Low | 14 Ų | 14 | 78.7 Ų | 78.7 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V52 I53 A54 T61 | V52-G56 PolarHBondContact O-N 2.92Å; I53-G56 PolarHBondContact O-N 3.09Å; A54-G56 VanDerWaalsContact C-N 3.32Å; A54-G56 PolarHBondContact O-N 3.29Å; G56-T61 PolarHBondContact O-N 3.01Å; G56-T61 PolarHBondContact O-OG1 3.24Å |
| 57 | H | 66.3 | Low | 69.1 | Low | 64 Ų | 64 | 82.5 Ų | 82.5 | 30% | 0.296 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.9 | -37.3 | 173.1 | -79.2 | -70.7 | 0 | 0 | 0 | 113.2 | L7 K10 I53 A54 T55 G60 D68 | L7-H57 HydrophobicContact CD2-CB 4.44Å; K10-H57 PolarHBondContact NZ-CD2 2.9Å; K10-H57 PolarHBondContact NZ-CE1 3.46Å; K10-H57 PolarHBondContact NZ-NE2 2.95Å; I53-H57 PolarHBondContact O-CD2 3.38Å; I53-H57 PolarHBondContact O-N 2.85Å; A54-H57 PolarHBondContact O-N 3.38Å; T55-H57 VanDerWaalsContact C-N 3.31Å; T55-H57 PolarHBondContact O-N 3.23Å; H57-G60 PolarHBondContact O-N 2.99Å; H57-D68 IonicContact NE2-OD2 3.85Å |
| 58 | V | 67 | Low | 69.1 | Low | 113 Ų | 113 | 82.8 Ų | 82.8 | 69% | 0.685 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69 | -35.6 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | L7 A54 T55 G60 | L7-V58 HydrophobicContact CD2-CG2 4.42Å; A54-V58 WeakPolarHBondContact O-CG2 3.38Å; A54-V58 PolarHBondContact O-N 2.95Å; T55-V58 PolarHBondContact O-N 3.49Å; V58-G60 PolarHBondContact O-N 3.3Å |
| 59 | S | 71.8 | Confident | 68.8 | Low | 91 Ų | 91 | 80.9 Ų | 80.9 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 0.8 | 179.2 | -159.9 | 0 | 0 | 0 | 0 | 114.2 | T55 T61 | T55-S59 WeakPolarHBondContact O-CB 3.36Å; T55-S59 PolarHBondContact O-N 3.48Å; S59-T61 PolarHBondContact O-N 3.45Å |
| 60 | G | 60.2 | Low | 68.6 | Low | 64 Ų | 64 | 83.3 Ų | 83.3 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 5.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H57 V58 | H57-G60 PolarHBondContact O-N 2.99Å; V58-G60 PolarHBondContact O-N 3.3Å |
| 61 | T | 63.6 | Low | 68.7 | Low | 81 Ų | 81 | 84 Ų | 84 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | trans | -69.9 | 135.3 | 173.6 | 28.7 | 0 | 0 | 0 | 0 | 110.7 | G56 S59 V63 | G56-T61 PolarHBondContact O-N 3.01Å; G56-T61 PolarHBondContact O-OG1 3.24Å; S59-T61 PolarHBondContact O-N 3.45Å; T61-V63 PolarHBondContact O-N 3.29Å | ||
| 62 | V | 57.7 | Low | 68.7 | Low | 147 Ų | 147 | 79.1 Ų | 79.1 | 89% | 0.891 | 45% | 0.445 | S | S | * | . | trans | -71.2 | 94.5 | 178.8 | -164.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 63 | V | 62.3 | Low | 68.8 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 22% | 0.218 | 43% | 0.432 | C | S | . | . | trans | -74.7 | 125 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | I53 T61 K65 | I53-V63 HydrophobicContact CG2-CG1 4.38Å; T61-V63 PolarHBondContact O-N 3.29Å; V63-K65 PolarHBondContact O-N 3.33Å | ||
| 64 | D | 68.6 | Low | 69.1 | Low | 107 Ų | 107 | 77.5 Ų | 77.5 | 57% | 0.572 | 44% | 0.44 | S | S | * | . | trans | -55.8 | 125.5 | 176.1 | -82.1 | -67.1 | 0 | 0 | 0 | 111.3 | R66 L67 | D64-R66 PolarHBondContact O-N 3.38Å; D64-L67 HydrophobicContact CB-CD1 4.26Å; D64-L67 HydrophobicContact CB-CG 4.46Å; D64-L67 PolarHBondContact O-N 2.8Å | ||
| 65 | K | 66.9 | Low | 69.2 | Low | 148 Ų | 148 | 76.1 Ų | 76.1 | 64% | 0.643 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55.9 | -23.8 | 179.6 | -156 | 171 | -178.9 | -175.3 | 0 | 112.9 | V63 I69 | V63-K65 PolarHBondContact O-N 3.33Å; K65-I69 WeakPolarHBondContact O-CG1 3.36Å; K65-I69 PolarHBondContact O-N 2.93Å |
| 66 | R | 69.9 | Low | 69.4 | Low | 203 Ų | 203 | 77 Ų | 77 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -70 | -37.6 | 176.7 | -64.4 | -179.2 | -178.3 | -107.6 | 0.6 | 112.9 | D64 D68 I69 L70 | D64-R66 PolarHBondContact O-N 3.38Å; R66-D68 VanDerWaalsContact C-N 3.34Å; R66-I69 PolarHBondContact O-N 3.11Å; R66-L70 WeakPolarHBondContact O-CG 3.41Å; R66-L70 PolarHBondContact O-N 2.92Å |
| 67 | L | 71.2 | Confident | 69.8 | Low | 96 Ų | 96 | 82.8 Ų | 82.8 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 179 | -76.4 | 167.5 | 0 | 0 | 0 | 111.1 | D64 I69 L70 F71 | D64-L67 HydrophobicContact CB-CD1 4.26Å; D64-L67 HydrophobicContact CB-CG 4.46Å; D64-L67 PolarHBondContact O-N 2.8Å; L67-I69 VanDerWaalsContact C-N 3.34Å; L67-I69 PolarHBondContact O-N 2.84Å; L67-L70 PolarHBondContact O-N 3.06Å; L67-F71 VanDerWaalsContact O-CB 3.29Å; L67-F71 WeakPolarHBondContact O-CB 3.47Å; L67-F71 PolarHBondContact O-N 3.28Å |
| 68 | D | 71.8 | Confident | 70.2 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 177.1 | -153.1 | -100.5 | 0 | 0 | 0 | 111.8 | K10 H57 R66 F71 S72 | K10-D68 VanDerWaalsContact CE-OD2 3.23Å; K10-D68 WeakPolarHBondContact CE-OD2 3.47Å; K10-D68 IonicContact NZ-OD1 3.95Å; K10-D68 IonicContact NZ-OD2 2.64Å; K10-D68 PolarHBondContact NZ-OD2 2.77Å; H57-D68 IonicContact NE2-OD2 3.85Å; R66-D68 VanDerWaalsContact C-N 3.34Å; D68-F71 PolarHBondContact O-N 3.43Å; D68-S72 WeakPolarHBondContact O-CB 3.23Å; D68-S72 PolarHBondContact O-N 3.48Å |
| 69 | I | 70.8 | Confident | 70.4 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.3 | -47 | 178.1 | -66.8 | 166 | 0 | 0 | 0 | 111.3 | K65 R66 L67 F71 S72 I73 V124 | K65-I69 WeakPolarHBondContact O-CG1 3.36Å; K65-I69 PolarHBondContact O-N 2.93Å; R66-I69 PolarHBondContact O-N 3.11Å; L67-I69 VanDerWaalsContact C-N 3.34Å; L67-I69 PolarHBondContact O-N 2.84Å; I69-F71 VanDerWaalsContact C-N 3.26Å; I69-F71 PolarHBondContact O-N 2.97Å; I69-S72 WeakPolarHBondContact O-CB 3.32Å; I69-S72 PolarHBondContact O-N 3.29Å; I69-I73 HydrophobicContact CG2-CD1 3.94Å; I69-I73 WeakPolarHBondContact O-CG1 3.49Å; I69-I73 PolarHBondContact O-N 3.22Å; I69-V124 HydrophobicContact CD1-CG1 4.19Å; I69-V124 HydrophobicContact CG1-CG1 4.23Å |
| 70 | L | 73.1 | Confident | 70.6 | Confident | 118 Ų | 118 | 73.5 Ų | 73.5 | 62% | 0.618 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 178 | -74.1 | 172.1 | 0 | 0 | 0 | 111.3 | R66 L67 I73 G74 | R66-L70 WeakPolarHBondContact O-CG 3.41Å; R66-L70 PolarHBondContact O-N 2.92Å; L67-L70 PolarHBondContact O-N 3.06Å; L70-I73 PolarHBondContact O-N 3.33Å; L70-G74 PolarHBondContact O-N 2.89Å |
| 71 | F | 72.1 | Confident | 71.3 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 178.7 | -162.8 | -102.7 | 0 | 0 | 0 | 112 | Y46 T49 C50 I53 L67 D68 I69 G74 G75 | Y46-F71 HydrophobicContact CD1-CE1 4.2Å; Y46-F71 AromaticContact CD1-CZ 3.86Å; Y46-F71 HydrophobicContact CD1-CZ 3.86Å; Y46-F71 HydrophobicContact CD2-CD2 4.4Å; Y46-F71 HydrophobicContact CD2-CE1 4.13Å; Y46-F71 AromaticContact CD2-CE2 3.5Å; Y46-F71 HydrophobicContact CD2-CE2 3.5Å; Y46-F71 VanDerWaalsContact CD2-CE2 3.5Å; Y46-F71 AromaticContact CD2-CZ 3.34Å; Y46-F71 HydrophobicContact CD2-CZ 3.34Å; Y46-F71 HydrophobicContact CE1-CD1 4.45Å; Y46-F71 AromaticContact CE1-CE1 3.54Å; Y46-F71 HydrophobicContact CE1-CE1 3.54Å; Y46-F71 AromaticContact CE1-CZ 3.64Å; Y46-F71 HydrophobicContact CE1-CZ 3.64Å; Y46-F71 AromaticContact CE2-CD1 3.95Å; Y46-F71 HydrophobicContact CE2-CD1 3.95Å; Y46-F71 AromaticContact CE2-CD2 3.84Å; Y46-F71 HydrophobicContact CE2-CD2 3.84Å; Y46-F71 AromaticContact CE2-CE1 3.46Å; Y46-F71 HydrophobicContact CE2-CE1 3.46Å; Y46-F71 VanDerWaalsContact CE2-CE1 3.46Å; Y46-F71 AromaticContact CE2-CE2 3.3Å; Y46-F71 HydrophobicContact CE2-CE2 3.3Å; Y46-F71 HydrophobicContact CE2-CG 4.11Å; Y46-F71 AromaticContact CE2-CZ 3.09Å; Y46-F71 HydrophobicContact CE2-CZ 3.09Å; Y46-F71 WeakPolarHBondContact CE2-O 3.05Å; Y46-F71 HydrophobicContact CG-CE1 4.45Å; Y46-F71 HydrophobicContact CG-CE2 4.25Å; Y46-F71 AromaticContact CG-CZ 3.7Å; Y46-F71 HydrophobicContact CG-CZ 3.7Å; Y46-F71 AromaticContact CZ-CD1 3.65Å; Y46-F71 AromaticContact CZ-CE1 3.09Å; Y46-F71 AromaticContact CZ-CE2 3.9Å; Y46-F71 AromaticContact CZ-CZ 3.22Å; Y46-F71 VanDerWaalsContact O-CZ 3.25Å; Y46-F71 WeakPolarHBondContact O-CZ 3.48Å; Y46-F71 WeakPolarHBondContact OH-CD1 3.21Å; Y46-F71 WeakPolarHBondContact OH-CE1 2.95Å; Y46-F71 PolarHBondContact OH-O 2.98Å; T49-F71 HydrophobicContact CG2-CD2 3.63Å; T49-F71 HydrophobicContact CG2-CE2 3.22Å; T49-F71 HydrophobicContact CG2-CZ 4.02Å; C50-F71 HydrophobicContact CB-CE1 3.5Å; C50-F71 VanDerWaalsContact CB-CE1 3.5Å; C50-F71 HydrophobicContact CB-CZ 3.75Å; C50-F71 VanDerWaalsContact SG-CE1 3.59Å; I53-F71 HydrophobicContact CD1-CB 4.13Å; I53-F71 HydrophobicContact CD1-CD1 4.12Å; I53-F71 HydrophobicContact CD1-CD2 4.06Å; I53-F71 HydrophobicContact CD1-CG 3.8Å; L67-F71 VanDerWaalsContact O-CB 3.29Å; L67-F71 WeakPolarHBondContact O-CB 3.47Å; L67-F71 PolarHBondContact O-N 3.28Å; D68-F71 PolarHBondContact O-N 3.43Å; I69-F71 VanDerWaalsContact C-N 3.26Å; I69-F71 PolarHBondContact O-N 2.97Å; F71-G74 PolarHBondContact O-N 3.24Å; F71-G75 PolarHBondContact O-N 2.88Å |
| 72 | S | 73.2 | Confident | 71.8 | Confident | 17 Ų | 17 | 69 Ų | 69 | 12% | 0.119 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 174.5 | -168 | 0 | 0 | 0 | 0 | 112.2 | D68 I69 G75 F76 | D68-S72 WeakPolarHBondContact O-CB 3.23Å; D68-S72 PolarHBondContact O-N 3.48Å; I69-S72 WeakPolarHBondContact O-CB 3.32Å; I69-S72 PolarHBondContact O-N 3.29Å; S72-G75 PolarHBondContact O-N 3.22Å; S72-F76 PolarHBondContact O-N 2.97Å |
| 73 | I | 76.6 | Confident | 72.3 | Confident | 59 Ų | 59 | 62 Ų | 62 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.7 | -64.9 | 165.5 | 0 | 0 | 0 | 110.6 | I69 L70 G75 F76 F77 F121 | I69-I73 HydrophobicContact CG2-CD1 3.94Å; I69-I73 WeakPolarHBondContact O-CG1 3.49Å; I69-I73 PolarHBondContact O-N 3.22Å; L70-I73 PolarHBondContact O-N 3.33Å; I73-G75 VanDerWaalsContact C-N 3.27Å; I73-G75 PolarHBondContact O-N 3.38Å; I73-F76 WeakPolarHBondContact O-CB 3.39Å; I73-F76 PolarHBondContact O-N 3.46Å; I73-F76 VanDerWaalsContact O-N 3.15Å; I73-F77 HydrophobicContact CG2-CD2 3.9Å; I73-F77 HydrophobicContact CG2-CE2 3.71Å; I73-F77 VanDerWaalsContact O-CD2 3.31Å; I73-F77 WeakPolarHBondContact O-CD2 3.36Å; I73-F77 PolarHBondContact O-N 3.46Å; I73-F121 HydrophobicContact CD1-CD2 4.41Å; I73-F121 HydrophobicContact CD1-CE2 3.9Å; I73-F121 HydrophobicContact CG1-CD2 4.07Å; I73-F121 HydrophobicContact CG1-CE2 4.03Å |
| 74 | G | 76.9 | Confident | 72.9 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 32% | 0.32 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.3 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L70 F71 F76 F77 L78 | L70-G74 PolarHBondContact O-N 2.89Å; F71-G74 PolarHBondContact O-N 3.24Å; G74-F76 PolarHBondContact O-N 3.1Å; G74-F77 PolarHBondContact O-N 2.89Å; G74-L78 WeakPolarHBondContact O-CB 3.25Å; G74-L78 PolarHBondContact O-N 3.25Å |
| 75 | G | 70 | Confident | 73.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y46 F71 S72 I73 L78 F79 | Y46-G75 WeakPolarHBondContact OH-CA 3.24Å; Y46-G75 PolarHBondContact OH-N 3.38Å; F71-G75 PolarHBondContact O-N 2.88Å; S72-G75 PolarHBondContact O-N 3.22Å; I73-G75 VanDerWaalsContact C-N 3.27Å; I73-G75 PolarHBondContact O-N 3.38Å; G75-L78 PolarHBondContact O-N 3.03Å; G75-F79 WeakPolarHBondContact O-CB 3.36Å; G75-F79 PolarHBondContact O-N 2.95Å |
| 76 | F | 77.1 | Confident | 73.1 | Confident | 86 Ų | 86 | 55.5 Ų | 55.5 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.1 | -51.3 | 175.9 | 177.4 | -97.7 | 0 | 0 | 0 | 112 | S72 I73 G74 G80 G114 | S72-F76 PolarHBondContact O-N 2.97Å; I73-F76 WeakPolarHBondContact O-CB 3.39Å; I73-F76 PolarHBondContact O-N 3.46Å; I73-F76 VanDerWaalsContact O-N 3.15Å; G74-F76 PolarHBondContact O-N 3.1Å; F76-G80 PolarHBondContact O-N 3.31Å; F76-G114 WeakPolarHBondContact CD2-O 3.22Å; F76-G114 WeakPolarHBondContact CE2-O 3.22Å |
| 77 | F | 80 | Confident | 73.1 | Confident | 136 Ų | 136 | 48.3 Ų | 48.3 | 60% | 0.596 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 180 | -75.1 | -74.3 | 0 | 0 | 0 | 112.1 | I73 G74 A81 | I73-F77 HydrophobicContact CG2-CD2 3.9Å; I73-F77 HydrophobicContact CG2-CE2 3.71Å; I73-F77 VanDerWaalsContact O-CD2 3.31Å; I73-F77 WeakPolarHBondContact O-CD2 3.36Å; I73-F77 PolarHBondContact O-N 3.46Å; G74-F77 PolarHBondContact O-N 2.89Å; F77-A81 VanDerWaalsContact O-CB 3.23Å; F77-A81 WeakPolarHBondContact O-CB 3.49Å; F77-A81 PolarHBondContact O-N 2.96Å |
| 78 | L | 73.2 | Confident | 73 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 27% | 0.272 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | -179.8 | -130.3 | 79.1 | 0 | 0 | 0 | 111.7 | T42 Y46 G74 G75 A82 | T42-L78 WeakPolarHBondContact O-CD2 3.09Å; Y46-L78 HydrophobicContact CD2-CD2 4.26Å; Y46-L78 HydrophobicContact CG-CD2 4.15Å; G74-L78 WeakPolarHBondContact O-CB 3.25Å; G74-L78 PolarHBondContact O-N 3.25Å; G75-L78 PolarHBondContact O-N 3.03Å; L78-A82 VanDerWaalsContact O-CB 3.22Å; L78-A82 WeakPolarHBondContact O-CB 3.13Å; L78-A82 PolarHBondContact O-N 3.27Å |
| 79 | F | 71.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71 | -35.4 | -179.6 | -113.3 | -77.8 | 0 | 0 | 0 | 112.5 | I17 L43 G75 G83 S110 N113 | I17-F79 HydrophobicContact CG1-CE2 4.17Å; I17-F79 HydrophobicContact CG2-CE2 4.21Å; L43-F79 HydrophobicContact CD2-CD2 4.41Å; L43-F79 HydrophobicContact CD2-CE2 4.08Å; L43-F79 HydrophobicContact CD2-CZ 4.41Å; G75-F79 WeakPolarHBondContact O-CB 3.36Å; G75-F79 PolarHBondContact O-N 2.95Å; F79-G83 PolarHBondContact O-N 3.11Å; F79-S110 VanDerWaalsContact CD1-CA 3.43Å; F79-S110 WeakPolarHBondContact CD1-O 3.32Å; F79-S110 WeakPolarHBondContact CD1-OG 3.35Å; F79-S110 WeakPolarHBondContact CE1-OG 3.35Å; F79-S110 PolarHBondContact O-OG 3.34Å; F79-N113 HydrophobicContact CB-CB 4.42Å; F79-N113 HydrophobicContact CD1-CB 3.48Å; F79-N113 VanDerWaalsContact CD1-CB 3.48Å; F79-N113 HydrophobicContact CD2-CB 4.26Å; F79-N113 HydrophobicContact CE1-CB 3.7Å; F79-N113 WeakPolarHBondContact CE1-ND2 2.86Å; F79-N113 HydrophobicContact CE2-CB 4.41Å; F79-N113 HydrophobicContact CG-CB 3.78Å; F79-N113 HydrophobicContact CZ-CB 4.14Å; F79-N113 WeakPolarHBondContact CZ-ND2 2.76Å |
| 80 | G | 76 | Confident | 72.3 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -51.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F76 G83 T84 | F76-G80 PolarHBondContact O-N 3.31Å; G80-G83 PolarHBondContact O-N 3.29Å; G80-T84 WeakPolarHBondContact O-CG2 3.14Å; G80-T84 PolarHBondContact O-N 3.27Å; G80-T84 PolarHBondContact O-OG1 3.13Å |
| 81 | A | 75.5 | Confident | 71.7 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F77 G83 T84 I85 | F77-A81 VanDerWaalsContact O-CB 3.23Å; F77-A81 WeakPolarHBondContact O-CB 3.49Å; F77-A81 PolarHBondContact O-N 2.96Å; A81-G83 VanDerWaalsContact C-N 3.35Å; A81-G83 PolarHBondContact O-N 3.11Å; A81-T84 PolarHBondContact O-N 3.43Å; A81-T84 PolarHBondContact O-OG1 3.34Å; A81-I85 WeakPolarHBondContact O-CD1 3.42Å; A81-I85 VanDerWaalsContact O-CG1 3.24Å; A81-I85 WeakPolarHBondContact O-CG1 3.22Å; A81-I85 PolarHBondContact O-N 3.12Å |
| 82 | A | 73.5 | Confident | 71.1 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -46 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V39 L43 L78 T84 I85 I86 | V39-A82 HydrophobicContact CG1-CB 3.82Å; L43-A82 HydrophobicContact CD1-CB 4.36Å; L78-A82 VanDerWaalsContact O-CB 3.22Å; L78-A82 WeakPolarHBondContact O-CB 3.13Å; L78-A82 PolarHBondContact O-N 3.27Å; A82-T84 PolarHBondContact O-N 2.97Å; A82-I85 PolarHBondContact O-N 3.31Å; A82-I86 WeakPolarHBondContact O-CD1 3.49Å; A82-I86 VanDerWaalsContact O-CG1 3.22Å; A82-I86 WeakPolarHBondContact O-CG1 3.44Å; A82-I86 PolarHBondContact O-N 3.35Å |
| 83 | G | 69.1 | Low | 70.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F79 G80 A81 L87 S110 | F79-G83 PolarHBondContact O-N 3.11Å; G80-G83 PolarHBondContact O-N 3.29Å; A81-G83 VanDerWaalsContact C-N 3.35Å; A81-G83 PolarHBondContact O-N 3.11Å; G83-L87 WeakPolarHBondContact O-CB 3.45Å; G83-L87 PolarHBondContact O-N 3.03Å; G83-S110 VanDerWaalsContact CA-OG 3.32Å; G83-S110 WeakPolarHBondContact CA-OG 3.45Å; G83-S110 PolarHBondContact N-OG 2.84Å |
| 84 | T | 74.9 | Confident | 69.3 | Low | 76 Ų | 76 | 55.8 Ų | 55.8 | 47% | 0.466 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 177.3 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | G80 A81 A82 L87 A88 L111 | G80-T84 WeakPolarHBondContact O-CG2 3.14Å; G80-T84 PolarHBondContact O-N 3.27Å; G80-T84 PolarHBondContact O-OG1 3.13Å; A81-T84 PolarHBondContact O-N 3.43Å; A81-T84 PolarHBondContact O-OG1 3.34Å; A82-T84 PolarHBondContact O-N 2.97Å; T84-L87 PolarHBondContact O-N 3.39Å; T84-A88 WeakPolarHBondContact O-CB 3.45Å; T84-A88 PolarHBondContact O-N 3.13Å; T84-L111 HydrophobicContact CG2-CD2 4.21Å |
| 85 | I | 71.9 | Confident | 68.4 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -45 | 179.6 | -67.6 | 165.1 | 0 | 0 | 0 | 110.5 | V39 A81 A82 L87 A88 Q89 | V39-I85 HydrophobicContact CG2-CD1 4.25Å; A81-I85 WeakPolarHBondContact O-CD1 3.42Å; A81-I85 VanDerWaalsContact O-CG1 3.24Å; A81-I85 WeakPolarHBondContact O-CG1 3.22Å; A81-I85 PolarHBondContact O-N 3.12Å; A82-I85 PolarHBondContact O-N 3.31Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 2.95Å; I85-A88 PolarHBondContact O-N 3.49Å; I85-Q89 HydrophobicContact CG2-CG 4.35Å; I85-Q89 WeakPolarHBondContact O-CB 3.44Å; I85-Q89 WeakPolarHBondContact O-CG 3.4Å; I85-Q89 PolarHBondContact O-N 3.1Å |
| 86 | I | 68.1 | Low | 68.1 | Low | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 175.7 | -66.5 | 161.2 | 0 | 0 | 0 | 109.6 | I24 A82 A88 W90 L103 | I24-I86 HydrophobicContact CD1-CD1 3.72Å; I24-I86 HydrophobicContact CG1-CD1 3.85Å; A82-I86 WeakPolarHBondContact O-CD1 3.49Å; A82-I86 VanDerWaalsContact O-CG1 3.22Å; A82-I86 WeakPolarHBondContact O-CG1 3.44Å; A82-I86 PolarHBondContact O-N 3.35Å; I86-A88 PolarHBondContact O-N 3.21Å; I86-W90 WeakPolarHBondContact O-CB 3.42Å; I86-W90 VanDerWaalsContact O-CD1 3.26Å; I86-W90 PolarHBondContact O-N 2.76Å; I86-L103 HydrophobicContact CG2-CD2 4.13Å |
| 87 | L | 68.9 | Low | 67.6 | Low | 53 Ų | 53 | 69.3 Ų | 69.3 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | -179.6 | -140.1 | 74.9 | 0 | 0 | 0 | 112.2 | G83 T84 I85 L91 L104 | G83-L87 WeakPolarHBondContact O-CB 3.45Å; G83-L87 PolarHBondContact O-N 3.03Å; T84-L87 PolarHBondContact O-N 3.39Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 2.95Å; L87-L91 HydrophobicContact CD1-CD1 4.47Å; L87-L91 HydrophobicContact CG-CD1 4.01Å; L87-L91 WeakPolarHBondContact O-CB 3.33Å; L87-L91 WeakPolarHBondContact O-CD1 3.2Å; L87-L91 PolarHBondContact O-N 3.09Å; L87-L104 HydrophobicContact CD1-CD2 4.21Å |
| 88 | A | 68.8 | Low | 67 | Low | 79 Ų | 79 | 70.6 Ų | 70.6 | 65% | 0.653 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.2 | -39 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T84 I85 I86 | T84-A88 WeakPolarHBondContact O-CB 3.45Å; T84-A88 PolarHBondContact O-N 3.13Å; I85-A88 PolarHBondContact O-N 3.49Å; I86-A88 PolarHBondContact O-N 3.21Å |
| 89 | Q | 64.9 | Low | 66.6 | Low | 80 Ų | 80 | 73.3 Ų | 73.3 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -77.1 | -36.1 | -178.2 | -71.6 | -172.8 | -14.8 | 0 | 0 | 112.4 | I85 | I85-Q89 HydrophobicContact CG2-CG 4.35Å; I85-Q89 WeakPolarHBondContact O-CB 3.44Å; I85-Q89 WeakPolarHBondContact O-CG 3.4Å; I85-Q89 PolarHBondContact O-N 3.1Å |
| 90 | W | 62.8 | Low | 66.3 | Low | 49 Ų | 49 | 79.1 Ų | 79.1 | 19% | 0.186 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -93.3 | -23.4 | -170.1 | -72.8 | 88.8 | 0 | 0 | 0 | 114.5 | I27 T31 I86 G92 Y93 C94 L103 | I27-W90 HydrophobicContact CG2-CH2 3.9Å; I27-W90 HydrophobicContact CG2-CZ2 4.1Å; I27-W90 HydrophobicContact CG2-CZ3 4.18Å; I27-W90 WeakPolarHBondContact O-CH2 3.33Å; T31-W90 WeakPolarHBondContact OG1-CH2 3.41Å; I86-W90 WeakPolarHBondContact O-CB 3.42Å; I86-W90 VanDerWaalsContact O-CD1 3.26Å; I86-W90 PolarHBondContact O-N 2.76Å; W90-G92 PolarHBondContact O-N 3.4Å; W90-Y93 PolarHBondContact O-N 3.25Å; W90-C94 PolarHBondContact O-N 3.38Å; W90-L103 HydrophobicContact CB-CD1 3.91Å; W90-L103 HydrophobicContact CB-CD2 3.65Å; W90-L103 HydrophobicContact CB-CG 4.24Å; W90-L103 HydrophobicContact CD2-CD1 3.83Å; W90-L103 HydrophobicContact CD2-CD2 3.53Å; W90-L103 HydrophobicContact CD2-CG 4.33Å; W90-L103 HydrophobicContact CE3-CD1 3.35Å; W90-L103 HydrophobicContact CE3-CD2 3.93Å; W90-L103 HydrophobicContact CE3-CG 4.26Å; W90-L103 HydrophobicContact CG-CD1 4.11Å; W90-L103 HydrophobicContact CG-CD2 3.42Å; W90-L103 VanDerWaalsContact CG-CD2 3.42Å; W90-L103 HydrophobicContact CG-CG 4.36Å; W90-L103 HydrophobicContact CZ3-CD1 4.03Å |
| 91 | L | 61.5 | Low | 66 | Low | 103 Ų | 103 | 83.4 Ų | 83.4 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.5 | 172.1 | -111.4 | 87 | 0 | 0 | 0 | 112.8 | L87 | L87-L91 HydrophobicContact CD1-CD1 4.47Å; L87-L91 HydrophobicContact CG-CD1 4.01Å; L87-L91 WeakPolarHBondContact O-CB 3.33Å; L87-L91 WeakPolarHBondContact O-CD1 3.2Å; L87-L91 PolarHBondContact O-N 3.09Å |
| 92 | G | 58.9 | Low | 65.7 | Low | 77 Ų | 77 | 85 Ų | 85 | 79% | 0.794 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -15.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | W90 | W90-G92 PolarHBondContact O-N 3.4Š|
| 93 | Y | 57.2 | Low | 65.5 | Low | 167 Ų | 167 | 85.1 Ų | 85.1 | 66% | 0.655 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -13.9 | -168.5 | -153.1 | -95.3 | 0 | 0 | 0 | 114.3 | T31 W90 K95 | T31-Y93 HydrophobicContact CG2-CD1 4.49Å; T31-Y93 HydrophobicContact CG2-CE1 3.77Å; W90-Y93 PolarHBondContact O-N 3.25Å; Y93-K95 PolarHBondContact O-N 3.46Å |
| 94 | C | 55.8 | Low | 65.5 | Low | 33 Ų | 33 | 87.4 Ų | 87.4 | 22% | 0.223 | 45% | 0.45 | C | S | . | . | trans | -69.5 | 117 | -179.9 | -96.3 | 0 | 0 | 0 | 0 | 113.1 | W90 R100 L103 | W90-C94 PolarHBondContact O-N 3.38Å; C94-R100 HydrophobicContact CB-CB 4.03Å; C94-R100 HydrophobicContact CB-CG 4.41Å; C94-L103 WeakPolarHBondContact SG-CD1 3.14Å | ||
| 95 | K | 56.2 | Low | 65.5 | Low | 210 Ų | 210 | 86.1 Ų | 86.1 | 91% | 0.913 | 45% | 0.448 | S | S | * | . | trans | -96.1 | -21 | 174.4 | -156.1 | 171.6 | -178 | 171.7 | 0 | 112.8 | Y93 | Y93-K95 PolarHBondContact O-N 3.46Š| ||
| 96 | S | 64.3 | Low | 65.5 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -107.3 | 141.4 | 178.9 | -161.1 | 0 | 0 | 0 | 0 | 112.6 | R100 | S96-R100 PolarHBondContact O-N 3.37Š|
| 97 | Q | 66.4 | Low | 65.7 | Low | 134 Ų | 134 | 82.7 Ų | 82.7 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.4 | -37 | -177.2 | -107.9 | -99 | -27.1 | 0 | 0 | 112.6 | R100 Q101 | Q97-R100 PolarHBondContact O-N 3.06Å; Q97-Q101 WeakPolarHBondContact O-CG 3.32Å; Q97-Q101 PolarHBondContact O-N 3.02Å |
| 98 | E | 67.5 | Low | 66 | Low | 163 Ų | 163 | 85 Ų | 85 | 76% | 0.762 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.6 | -44.5 | -175.8 | -61.4 | -171.9 | 134 | 0 | 0 | 112.2 | R100 Q101 L102 | E98-R100 VanDerWaalsContact C-N 3.27Å; E98-R100 PolarHBondContact O-N 3.47Å; E98-Q101 PolarHBondContact O-N 3.01Å; E98-L102 PolarHBondContact O-N 2.81Å |
| 99 | E | 64.9 | Low | 66.3 | Low | 110 Ų | 110 | 84 Ų | 84 | 51% | 0.514 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 176 | -64.7 | 177.4 | 139.6 | 0 | 0 | 111.2 | Q101 L102 L103 | E99-Q101 VanDerWaalsContact C-N 3.33Å; E99-Q101 PolarHBondContact O-N 3.08Å; E99-L102 PolarHBondContact O-N 3.11Å; E99-L103 WeakPolarHBondContact O-CB 3.48Å; E99-L103 WeakPolarHBondContact O-CD1 3.42Å; E99-L103 WeakPolarHBondContact O-CG 3.09Å; E99-L103 PolarHBondContact O-N 3.45Å |
| 100 | R | 65.4 | Low | 66.6 | Low | 122 Ų | 122 | 80.2 Ų | 80.2 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 178.8 | -173.7 | 179.1 | 158.3 | 177.4 | -4.3 | 112.5 | C94 S96 Q97 E98 L104 | C94-R100 HydrophobicContact CB-CB 4.03Å; C94-R100 HydrophobicContact CB-CG 4.41Å; S96-R100 PolarHBondContact O-N 3.37Å; Q97-R100 PolarHBondContact O-N 3.06Å; E98-R100 VanDerWaalsContact C-N 3.27Å; E98-R100 PolarHBondContact O-N 3.47Å; R100-L104 HydrophobicContact CG-CD1 4.22Å; R100-L104 WeakPolarHBondContact O-CB 3.44Å; R100-L104 PolarHBondContact O-N 2.96Å |
| 101 | Q | 70.4 | Confident | 67.3 | Low | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 176.5 | -66.5 | -67.6 | -21.3 | 0 | 0 | 111.2 | Q97 E98 E99 L104 A105 | Q97-Q101 WeakPolarHBondContact O-CG 3.32Å; Q97-Q101 PolarHBondContact O-N 3.02Å; E98-Q101 PolarHBondContact O-N 3.01Å; E99-Q101 VanDerWaalsContact C-N 3.33Å; E99-Q101 PolarHBondContact O-N 3.08Å; Q101-L104 PolarHBondContact O-N 3.18Å; Q101-A105 VanDerWaalsContact O-CB 3.31Å; Q101-A105 WeakPolarHBondContact O-CB 3.44Å; Q101-A105 PolarHBondContact O-N 3.47Å |
| 102 | L | 69.2 | Low | 68 | Low | 79 Ų | 79 | 78 Ų | 78 | 41% | 0.414 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 176.8 | -162.2 | 74.1 | 0 | 0 | 0 | 111.9 | L23 I27 E98 E99 A105 S106 | L23-L102 HydrophobicContact CD1-CD1 4.07Å; L23-L102 HydrophobicContact CD1-CG 4.35Å; I27-L102 HydrophobicContact CD1-CD2 4.09Å; I27-L102 HydrophobicContact CD1-CG 4.08Å; I27-L102 HydrophobicContact CG1-CD2 3.78Å; I27-L102 HydrophobicContact CG1-CG 4.34Å; E98-L102 PolarHBondContact O-N 2.81Å; E99-L102 PolarHBondContact O-N 3.11Å; L102-A105 PolarHBondContact O-N 3.38Å; L102-S106 PolarHBondContact O-N 3.47Å; L102-S106 PolarHBondContact O-OG 2.94Å |
| 103 | L | 67.4 | Low | 68.6 | Low | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 175.6 | -83.2 | 155.4 | 0 | 0 | 0 | 113.2 | I27 I86 W90 C94 E99 A105 S106 G107 | I27-L103 HydrophobicContact CD1-CD2 4.17Å; I27-L103 HydrophobicContact CD1-CG 4.27Å; I27-L103 HydrophobicContact CG2-CD1 4.23Å; I27-L103 HydrophobicContact CG2-CD2 3.57Å; I27-L103 HydrophobicContact CG2-CG 3.88Å; I86-L103 HydrophobicContact CG2-CD2 4.13Å; W90-L103 HydrophobicContact CB-CD1 3.91Å; W90-L103 HydrophobicContact CB-CD2 3.65Å; W90-L103 HydrophobicContact CB-CG 4.24Å; W90-L103 HydrophobicContact CD2-CD1 3.83Å; W90-L103 HydrophobicContact CD2-CD2 3.53Å; W90-L103 HydrophobicContact CD2-CG 4.33Å; W90-L103 HydrophobicContact CE3-CD1 3.35Å; W90-L103 HydrophobicContact CE3-CD2 3.93Å; W90-L103 HydrophobicContact CE3-CG 4.26Å; W90-L103 HydrophobicContact CG-CD1 4.11Å; W90-L103 HydrophobicContact CG-CD2 3.42Å; W90-L103 VanDerWaalsContact CG-CD2 3.42Å; W90-L103 HydrophobicContact CG-CG 4.36Å; W90-L103 HydrophobicContact CZ3-CD1 4.03Å; C94-L103 WeakPolarHBondContact SG-CD1 3.14Å; E99-L103 WeakPolarHBondContact O-CB 3.48Å; E99-L103 WeakPolarHBondContact O-CD1 3.42Å; E99-L103 WeakPolarHBondContact O-CG 3.09Å; E99-L103 PolarHBondContact O-N 3.45Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-S106 WeakPolarHBondContact CA-OG 3.24Å; L103-S106 PolarHBondContact O-N 2.89Å; L103-S106 PolarHBondContact O-OG 3.3Å; L103-G107 PolarHBondContact O-N 3.32Å |
| 104 | L | 70.4 | Confident | 69.1 | Low | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 171.5 | -88.4 | 159.4 | 0 | 0 | 0 | 110.9 | L87 R100 Q101 G107 I108 | L87-L104 HydrophobicContact CD1-CD2 4.21Å; R100-L104 HydrophobicContact CG-CD1 4.22Å; R100-L104 WeakPolarHBondContact O-CB 3.44Å; R100-L104 PolarHBondContact O-N 2.96Å; Q101-L104 PolarHBondContact O-N 3.18Å; L104-G107 PolarHBondContact O-N 3.29Å; L104-I108 HydrophobicContact CD2-CD1 4.45Å; L104-I108 VanDerWaalsContact O-CB 3.31Å; L104-I108 WeakPolarHBondContact O-CB 3.39Å; L104-I108 WeakPolarHBondContact O-CD1 3.33Å; L104-I108 WeakPolarHBondContact O-CG1 3.3Å; L104-I108 PolarHBondContact O-N 2.9Å |
| 105 | A | 75.3 | Confident | 70 | Confident | 50 Ų | 50 | 68 Ų | 68 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q101 L102 L103 I108 L109 | Q101-A105 VanDerWaalsContact O-CB 3.31Å; Q101-A105 WeakPolarHBondContact O-CB 3.44Å; Q101-A105 PolarHBondContact O-N 3.47Å; L102-A105 PolarHBondContact O-N 3.38Å; L103-A105 VanDerWaalsContact C-N 3.34Å; A105-I108 PolarHBondContact O-N 3.46Å; A105-L109 VanDerWaalsContact O-CB 3.3Å; A105-L109 WeakPolarHBondContact O-CB 3.46Å; A105-L109 PolarHBondContact O-N 2.84Å |
| 106 | S | 71.4 | Confident | 70.7 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 179.2 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | L102 L103 L109 S110 | L102-S106 PolarHBondContact O-N 3.47Å; L102-S106 PolarHBondContact O-OG 2.94Å; L103-S106 WeakPolarHBondContact CA-OG 3.24Å; L103-S106 PolarHBondContact O-N 2.89Å; L103-S106 PolarHBondContact O-OG 3.3Å; S106-L109 PolarHBondContact O-N 3.06Å; S106-S110 WeakPolarHBondContact O-CB 3.33Å; S106-S110 PolarHBondContact O-N 2.83Å |
| 107 | G | 71.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L103 L104 S110 L111 | L103-G107 PolarHBondContact O-N 3.32Å; L104-G107 PolarHBondContact O-N 3.29Å; G107-S110 WeakPolarHBondContact O-CB 3.29Å; G107-S110 PolarHBondContact O-N 3.18Å; G107-L111 WeakPolarHBondContact O-CG 3.43Å; G107-L111 PolarHBondContact O-N 2.93Å |
| 108 | I | 77.1 | Confident | 70.6 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 175.6 | -67.4 | 165.1 | 0 | 0 | 0 | 110.5 | L104 A105 S110 L111 A112 | L104-I108 HydrophobicContact CD2-CD1 4.45Å; L104-I108 VanDerWaalsContact O-CB 3.31Å; L104-I108 WeakPolarHBondContact O-CB 3.39Å; L104-I108 WeakPolarHBondContact O-CD1 3.33Å; L104-I108 WeakPolarHBondContact O-CG1 3.3Å; L104-I108 PolarHBondContact O-N 2.9Å; A105-I108 PolarHBondContact O-N 3.46Å; I108-S110 VanDerWaalsContact C-N 3.27Å; I108-S110 PolarHBondContact O-N 2.98Å; I108-L111 PolarHBondContact O-N 3.39Å; I108-A112 VanDerWaalsContact O-CB 3.29Å; I108-A112 WeakPolarHBondContact O-CB 3.14Å; I108-A112 PolarHBondContact O-N 3.13Å |
| 109 | L | 74 | Confident | 70.2 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 29% | 0.293 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 174.8 | -142.5 | 89.4 | 0 | 0 | 0 | 110.9 | F16 A105 S106 A112 N113 | F16-L109 HydrophobicContact CD1-CD2 4.47Å; F16-L109 HydrophobicContact CE1-CD1 4.46Å; F16-L109 HydrophobicContact CE1-CD2 3.66Å; F16-L109 HydrophobicContact CE1-CG 3.62Å; F16-L109 HydrophobicContact CZ-CD1 3.95Å; F16-L109 HydrophobicContact CZ-CD2 3.87Å; F16-L109 HydrophobicContact CZ-CG 3.59Å; A105-L109 VanDerWaalsContact O-CB 3.3Å; A105-L109 WeakPolarHBondContact O-CB 3.46Å; A105-L109 PolarHBondContact O-N 2.84Å; S106-L109 PolarHBondContact O-N 3.06Å; L109-A112 PolarHBondContact O-N 3.16Å; L109-N113 PolarHBondContact O-N 3.22Å; L109-N113 PolarHBondContact O-ND2 3.23Å |
| 110 | S | 71.2 | Confident | 69.7 | Low | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 177 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | F79 G83 S106 G107 I108 N113 G114 | F79-S110 VanDerWaalsContact CD1-CA 3.43Å; F79-S110 WeakPolarHBondContact CD1-O 3.32Å; F79-S110 WeakPolarHBondContact CD1-OG 3.35Å; F79-S110 WeakPolarHBondContact CE1-OG 3.35Å; F79-S110 PolarHBondContact O-OG 3.34Å; G83-S110 VanDerWaalsContact CA-OG 3.32Å; G83-S110 WeakPolarHBondContact CA-OG 3.45Å; G83-S110 PolarHBondContact N-OG 2.84Å; S106-S110 WeakPolarHBondContact O-CB 3.33Å; S106-S110 PolarHBondContact O-N 2.83Å; G107-S110 WeakPolarHBondContact O-CB 3.29Å; G107-S110 PolarHBondContact O-N 3.18Å; I108-S110 VanDerWaalsContact C-N 3.27Å; I108-S110 PolarHBondContact O-N 2.98Å; S110-N113 WeakPolarHBondContact O-CB 3.34Å; S110-N113 PolarHBondContact O-N 3.4Å; S110-G114 PolarHBondContact O-N 3.2Å; S110-G114 VanDerWaalsContact O-N 3.13Å |
| 111 | L | 76.6 | Confident | 69 | Low | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 176.1 | -71.8 | 168.7 | 0 | 0 | 0 | 112.3 | T84 G107 I108 N113 G114 A115 | T84-L111 HydrophobicContact CG2-CD2 4.21Å; G107-L111 WeakPolarHBondContact O-CG 3.43Å; G107-L111 PolarHBondContact O-N 2.93Å; I108-L111 PolarHBondContact O-N 3.39Å; L111-N113 VanDerWaalsContact C-N 3.31Å; L111-N113 PolarHBondContact O-N 3.05Å; L111-G114 PolarHBondContact O-N 3.26Å; L111-A115 PolarHBondContact O-N 2.96Å |
| 112 | A | 77.1 | Confident | 67.8 | Low | 41 Ų | 41 | 57.6 Ų | 57.6 | 34% | 0.339 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | I108 L109 A115 I116 | I108-A112 VanDerWaalsContact O-CB 3.29Å; I108-A112 WeakPolarHBondContact O-CB 3.14Å; I108-A112 PolarHBondContact O-N 3.13Å; L109-A112 PolarHBondContact O-N 3.16Å; A112-A115 PolarHBondContact O-N 3.45Å; A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.23Å; A112-I116 PolarHBondContact O-N 2.98Å |
| 113 | N | 71.1 | Confident | 66.6 | Low | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 173.4 | -82.4 | -31.6 | 0 | 0 | 0 | 113.6 | F16 S20 F79 L109 S110 L111 A115 I116 R117 | F16-N113 WeakPolarHBondContact CD1-ND2 3.36Å; F16-N113 WeakPolarHBondContact CD1-OD1 3.35Å; F16-N113 WeakPolarHBondContact CE1-ND2 3.43Å; F16-N113 WeakPolarHBondContact CE1-OD1 3.49Å; S20-N113 PolarHBondContact OG-ND2 2.93Å; S20-N113 VanDerWaalsContact OG-ND2 3.11Å; F79-N113 HydrophobicContact CB-CB 4.42Å; F79-N113 HydrophobicContact CD1-CB 3.48Å; F79-N113 VanDerWaalsContact CD1-CB 3.48Å; F79-N113 HydrophobicContact CD2-CB 4.26Å; F79-N113 HydrophobicContact CE1-CB 3.7Å; F79-N113 WeakPolarHBondContact CE1-ND2 2.86Å; F79-N113 HydrophobicContact CE2-CB 4.41Å; F79-N113 HydrophobicContact CG-CB 3.78Å; F79-N113 HydrophobicContact CZ-CB 4.14Å; F79-N113 WeakPolarHBondContact CZ-ND2 2.76Å; L109-N113 PolarHBondContact O-N 3.22Å; L109-N113 PolarHBondContact O-ND2 3.23Å; S110-N113 WeakPolarHBondContact O-CB 3.34Å; S110-N113 PolarHBondContact O-N 3.4Å; L111-N113 VanDerWaalsContact C-N 3.31Å; L111-N113 PolarHBondContact O-N 3.05Å; N113-A115 VanDerWaalsContact C-N 3.32Å; N113-I116 PolarHBondContact O-N 3.48Å; N113-R117 PolarHBondContact O-N 3Å; N113-R117 VanDerWaalsContact O-N 3.12Å |
| 114 | G | 68.6 | Low | 65.6 | Low | 2 Ų | 2 | 60.5 Ų | 60.5 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55 | -52.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F76 S110 L111 I116 R117 G118 | F76-G114 WeakPolarHBondContact CD2-O 3.22Å; F76-G114 WeakPolarHBondContact CE2-O 3.22Å; S110-G114 PolarHBondContact O-N 3.2Å; S110-G114 VanDerWaalsContact O-N 3.13Å; L111-G114 PolarHBondContact O-N 3.26Å; G114-I116 PolarHBondContact O-N 3.26Å; G114-R117 PolarHBondContact O-N 3.4Å; G114-G118 PolarHBondContact O-N 3.44Å |
| 115 | A | 73.8 | Confident | 63.9 | Low | 52 Ų | 52 | 61.1 Ų | 61.1 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L111 A112 N113 G118 R119 | L111-A115 PolarHBondContact O-N 2.96Å; A112-A115 PolarHBondContact O-N 3.45Å; N113-A115 VanDerWaalsContact C-N 3.32Å; A115-G118 PolarHBondContact O-N 2.95Å; A115-R119 WeakPolarHBondContact O-CG 3.36Å; A115-R119 PolarHBondContact O-N 3.44Å |
| 116 | I | 72.2 | Confident | 61.9 | Low | 93 Ų | 93 | 67.3 Ų | 67.3 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 177.9 | -68.9 | 162.9 | 0 | 0 | 0 | 110.5 | A112 N113 G114 G118 R119 H120 | A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.23Å; A112-I116 PolarHBondContact O-N 2.98Å; N113-I116 PolarHBondContact O-N 3.48Å; G114-I116 PolarHBondContact O-N 3.26Å; I116-G118 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 3.47Å; I116-R119 PolarHBondContact O-N 2.91Å; I116-H120 PolarHBondContact O-N 2.95Å |
| 117 | R | 65.6 | Low | 60.2 | Low | 10 Ų | 10 | 80.1 Ų | 80.1 | 4% | 0.038 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 175.2 | -71.7 | 174.9 | -172.8 | -96.6 | -8.5 | 112.2 | I17 Y46 N113 G114 R119 H120 F121 | I17-R117 VanDerWaalsContact CG1-NH2 3.33Å; Y46-R117 PolarHBondContact OH-NH1 3.41Å; N113-R117 PolarHBondContact O-N 3Å; N113-R117 VanDerWaalsContact O-N 3.12Å; G114-R117 PolarHBondContact O-N 3.4Å; R117-R119 VanDerWaalsContact C-N 3.35Å; R117-R119 PolarHBondContact O-N 2.91Å; R117-H120 WeakPolarHBondContact O-CB 3.31Å; R117-H120 PolarHBondContact O-N 3.27Å; R117-F121 PolarHBondContact O-N 3.25Å |
| 118 | G | 62.5 | Low | 59.7 | Low | 21 Ų | 21 | 84.2 Ų | 84.2 | 22% | 0.216 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.4 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G114 A115 I116 F121 R122 | G114-G118 PolarHBondContact O-N 3.44Å; A115-G118 PolarHBondContact O-N 2.95Å; I116-G118 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 3.47Å; G118-F121 WeakPolarHBondContact O-CB 3.31Å; G118-F121 PolarHBondContact O-N 3.2Å; G118-R122 PolarHBondContact O-N 2.88Å |
| 119 | R | 59.3 | Low | 58.7 | Low | 195 Ų | 195 | 83.2 Ų | 83.2 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -71.7 | -37.1 | 172.2 | -77.1 | -168.9 | -176.3 | -173.3 | 3.4 | 112.2 | A115 I116 R117 F121 R122 C123 | A115-R119 WeakPolarHBondContact O-CG 3.36Å; A115-R119 PolarHBondContact O-N 3.44Å; I116-R119 PolarHBondContact O-N 2.91Å; R117-R119 VanDerWaalsContact C-N 3.35Å; R117-R119 PolarHBondContact O-N 2.91Å; R119-F121 VanDerWaalsContact C-N 3.27Å; R119-F121 PolarHBondContact O-N 3.32Å; R119-R122 WeakPolarHBondContact O-CB 3.46Å; R119-R122 PolarHBondContact O-N 3.5Å; R119-R122 VanDerWaalsContact O-N 3.1Å; R119-C123 PolarHBondContact O-N 3.35Å |
| 120 | H | 53.9 | Low | 57.9 | Low | 66 Ų | 66 | 84.7 Ų | 84.7 | 31% | 0.306 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 173.4 | -166.6 | -87.2 | 0 | 0 | 0 | 111.4 | I116 R117 R122 C123 V124 | I116-H120 PolarHBondContact O-N 2.95Å; R117-H120 WeakPolarHBondContact O-CB 3.31Å; R117-H120 PolarHBondContact O-N 3.27Å; H120-R122 VanDerWaalsContact C-N 3.33Å; H120-R122 PolarHBondContact O-N 2.87Å; H120-C123 PolarHBondContact O-N 3.41Å; H120-V124 WeakPolarHBondContact O-CG2 3.38Å; H120-V124 PolarHBondContact O-N 2.88Å |
| 121 | F | 50.1 | Low | 57.1 | Low | 108 Ų | 108 | 89.6 Ų | 89.6 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 171.4 | -177 | -99.3 | 0 | 0 | 0 | 112.8 | I73 R117 G118 R119 C123 V124 G125 | I73-F121 HydrophobicContact CD1-CD2 4.41Å; I73-F121 HydrophobicContact CD1-CE2 3.9Å; I73-F121 HydrophobicContact CG1-CD2 4.07Å; I73-F121 HydrophobicContact CG1-CE2 4.03Å; R117-F121 PolarHBondContact O-N 3.25Å; G118-F121 WeakPolarHBondContact O-CB 3.31Å; G118-F121 PolarHBondContact O-N 3.2Å; R119-F121 VanDerWaalsContact C-N 3.27Å; R119-F121 PolarHBondContact O-N 3.32Å; F121-C123 VanDerWaalsContact C-N 3.28Å; F121-C123 PolarHBondContact O-N 3.4Å; F121-V124 PolarHBondContact O-N 3.43Å; F121-G125 PolarHBondContact O-N 3.24Å |
| 122 | R | 45.6 | Very low | 55.9 | Low | 195 Ų | 195 | 91.1 Ų | 91.1 | 74% | 0.736 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.3 | -29.3 | 178 | -163.1 | 179.2 | -69.1 | -176.1 | -2 | 112.9 | G118 R119 H120 | G118-R122 PolarHBondContact O-N 2.88Å; R119-R122 WeakPolarHBondContact O-CB 3.46Å; R119-R122 PolarHBondContact O-N 3.5Å; R119-R122 VanDerWaalsContact O-N 3.1Å; H120-R122 VanDerWaalsContact C-N 3.33Å; H120-R122 PolarHBondContact O-N 2.87Å |
| 123 | C | 45 | Very low | 54.5 | Low | 98 Ų | 98 | 94.4 Ų | 94.4 | 66% | 0.662 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -81.5 | -32.4 | 174.5 | -96.8 | 0 | 0 | 0 | 0 | 113.5 | R119 H120 F121 | R119-C123 PolarHBondContact O-N 3.35Å; H120-C123 PolarHBondContact O-N 3.41Å; F121-C123 VanDerWaalsContact C-N 3.28Å; F121-C123 PolarHBondContact O-N 3.4Å |
| 124 | V | 46.2 | Very low | 53.3 | Low | 50 Ų | 50 | 100.4 Ų | 100.4 | 30% | 0.303 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -81.8 | -25.6 | 179.5 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | I69 H120 F121 F126 | I69-V124 HydrophobicContact CD1-CG1 4.19Å; I69-V124 HydrophobicContact CG1-CG1 4.23Å; H120-V124 WeakPolarHBondContact O-CG2 3.38Å; H120-V124 PolarHBondContact O-N 2.88Å; F121-V124 PolarHBondContact O-N 3.43Å; V124-F126 PolarHBondContact O-N 3.18Å; V124-F126 VanDerWaalsContact O-N 3.17Å |
| 125 | G | 33.5 | Very low | 52.1 | Low | 61 Ų | 61 | 107.9 Ų | 107.9 | 63% | 0.629 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -0.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | F121 | F121-G125 PolarHBondContact O-N 3.24Š|
| 126 | F | 34.6 | Very low | 50.3 | Low | 180 Ų | 180 | 112.6 Ų | 112.6 | 79% | 0.789 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 12.6 | 179.1 | -90.8 | -79.9 | 0 | 0 | 0 | 114.4 | V124 | V124-F126 PolarHBondContact O-N 3.18Å; V124-F126 VanDerWaalsContact O-N 3.17Å |
| 127 | Y | 35.4 | Very low | 48.3 | Very low | 274 Ų | 274 | 114.4 Ų | 114.4 | 100% | 1.075 | 54% | 0.542 | S | S | * | . | trans | -132.2 | 0 | 172.9 | -88.5 | -79.9 | 0 | 0 | 0 | 113.4 |
Retrieved 127 of 127 residues in 55.3 ms
(Link to these results)