| 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 | 42.5 | Very low | 53.8 | Low | 236 Ų | 236 | 103.6 Ų | 103.6 | 100% | 1.163 | 62% | 0.617 | S | S | * | * | 0 | 75.3 | 0 | -79.6 | 134.8 | 80.2 | 0 | 0 | 110 | |||||
| 2 | S | 51.2 | Low | 54.6 | Low | 90 Ų | 90 | 104.3 Ų | 104.3 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | trans | -149.2 | -20 | 175.3 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3 | S | 52.8 | Low | 56 | Low | 93 Ų | 93 | 101.3 Ų | 101.3 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.4 | -31.5 | 176.2 | -62.3 | 0 | 0 | 0 | 0 | 114.8 | N5 V6 V7 | S3-N5 VanDerWaalsContact C-N 3.31Å; S3-N5 PolarHBondContact O-N 3.22Å; S3-V6 PolarHBondContact O-N 2.88Å; S3-V7 PolarHBondContact O-N 3.39Å |
| 4 | D | 55 | Low | 57.8 | Low | 116 Ų | 116 | 101.4 Ų | 101.4 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.7 | -31.2 | -177.9 | -60 | -40.9 | 0 | 0 | 0 | 112.5 | T8 | D4-T8 WeakPolarHBondContact O-CB 3.37Å; D4-T8 PolarHBondContact O-N 3.08Å; D4-T8 PolarHBondContact O-OG1 3.38Å |
| 5 | N | 53.6 | Low | 59.3 | Low | 114 Ų | 114 | 99.1 Ų | 99.1 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.7 | -33.1 | -179.6 | -68.8 | -5.2 | 0 | 0 | 0 | 112.1 | S3 S9 | S3-N5 VanDerWaalsContact C-N 3.31Å; S3-N5 PolarHBondContact O-N 3.22Å; N5-S9 VanDerWaalsContact O-CB 3.23Å; N5-S9 WeakPolarHBondContact O-CB 3.46Å; N5-S9 PolarHBondContact O-N 3.14Å; N5-S9 PolarHBondContact O-OG 3.13Å |
| 6 | V | 52.5 | Low | 60.5 | Low | 101 Ų | 101 | 99.1 Ų | 99.1 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.9 | -37.9 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | S3 S10 | S3-V6 PolarHBondContact O-N 2.88Å; V6-S10 PolarHBondContact O-N 3.31Å; V6-S10 PolarHBondContact O-OG 3.27Å |
| 7 | V | 53.5 | Low | 61.8 | Low | 89 Ų | 89 | 96.9 Ų | 96.9 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -46.1 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | S3 S9 S10 V11 | S3-V7 PolarHBondContact O-N 3.39Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 3.4Å; V7-S10 PolarHBondContact O-N 3.1Å; V7-S10 PolarHBondContact O-OG 3.28Å; V7-S10 VanDerWaalsContact O-OG 3.06Å; V7-V11 HydrophobicContact CG1-CG2 4.17Å; V7-V11 VanDerWaalsContact O-CG2 3.25Å; V7-V11 WeakPolarHBondContact O-CG2 3.4Å; V7-V11 PolarHBondContact O-N 2.86Å |
| 8 | T | 53.3 | Low | 63 | Low | 80 Ų | 80 | 97.6 Ų | 97.6 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -38.4 | 179.1 | -41.7 | 0 | 0 | 0 | 0 | 111.7 | D4 S10 L12 | D4-T8 WeakPolarHBondContact O-CB 3.37Å; D4-T8 PolarHBondContact O-N 3.08Å; D4-T8 PolarHBondContact O-OG1 3.38Å; T8-S10 VanDerWaalsContact C-N 3.32Å; T8-S10 PolarHBondContact O-N 3.08Å; T8-L12 HydrophobicContact CG2-CD1 4.29Å; T8-L12 WeakPolarHBondContact O-CB 3.37Å; T8-L12 VanDerWaalsContact O-CG 3.26Å; T8-L12 WeakPolarHBondContact O-CG 3.27Å; T8-L12 PolarHBondContact O-N 3.23Å |
| 9 | S | 54.7 | Low | 63.9 | Low | 81 Ų | 81 | 95.2 Ų | 95.2 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.6 | -22.9 | 179.3 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | N5 V7 P13 | N5-S9 VanDerWaalsContact O-CB 3.23Å; N5-S9 WeakPolarHBondContact O-CB 3.46Å; N5-S9 PolarHBondContact O-N 3.14Å; N5-S9 PolarHBondContact O-OG 3.13Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 3.4Å; S9-P13 WeakPolarHBondContact O-CD 2.94Å; S9-P13 WeakPolarHBondContact O-CG 3.45Å |
| 10 | S | 59.5 | Low | 64.5 | Low | 59 Ų | 59 | 97.4 Ų | 97.4 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -94.6 | -32.2 | 178.1 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | V6 V7 T8 P13 | V6-S10 PolarHBondContact O-N 3.31Å; V6-S10 PolarHBondContact O-OG 3.27Å; V7-S10 PolarHBondContact O-N 3.1Å; V7-S10 PolarHBondContact O-OG 3.28Å; V7-S10 VanDerWaalsContact O-OG 3.06Å; T8-S10 VanDerWaalsContact C-N 3.32Å; T8-S10 PolarHBondContact O-N 3.08Å; S10-P13 VanDerWaalsContact C-CD 3.49Å; S10-P13 VanDerWaalsContact O-CD 3.22Å; S10-P13 WeakPolarHBondContact O-CD 3.44Å; S10-P13 WeakPolarHBondContact O-CG 3.5Å |
| 11 | V | 62.8 | Low | 65.5 | Low | 81 Ų | 81 | 101 Ų | 101 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.6 | -36.2 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | V7 S15 | V7-V11 HydrophobicContact CG1-CG2 4.17Å; V7-V11 VanDerWaalsContact O-CG2 3.25Å; V7-V11 WeakPolarHBondContact O-CG2 3.4Å; V7-V11 PolarHBondContact O-N 2.86Å; V11-S15 WeakPolarHBondContact O-CB 3.37Å; V11-S15 PolarHBondContact O-N 3.37Å; V11-S15 PolarHBondContact O-OG 2.98Å |
| 12 | L | 64.2 | Low | 67.4 | Low | 111 Ų | 111 | 94.6 Ų | 94.6 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -50.7 | 176.7 | -74.7 | 172.9 | 0 | 0 | 0 | 114.4 | T8 D14 S15 Y16 | T8-L12 HydrophobicContact CG2-CD1 4.29Å; T8-L12 WeakPolarHBondContact O-CB 3.37Å; T8-L12 VanDerWaalsContact O-CG 3.26Å; T8-L12 WeakPolarHBondContact O-CG 3.27Å; T8-L12 PolarHBondContact O-N 3.23Å; L12-D14 VanDerWaalsContact C-N 3.33Å; L12-D14 PolarHBondContact O-N 3.14Å; L12-S15 PolarHBondContact O-N 3.47Å; L12-Y16 WeakPolarHBondContact O-CB 3.17Å; L12-Y16 PolarHBondContact O-N 3.33Å |
| 13 | P | 72.9 | Confident | 68.8 | Low | 66 Ų | 66 | 91.9 Ų | 91.9 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | -179.8 | 22.3 | -32.3 | 0 | 0 | 0 | 112.3 | S9 S10 S17 | S9-P13 WeakPolarHBondContact O-CD 2.94Å; S9-P13 WeakPolarHBondContact O-CG 3.45Å; S10-P13 VanDerWaalsContact C-CD 3.49Å; S10-P13 VanDerWaalsContact O-CD 3.22Å; S10-P13 WeakPolarHBondContact O-CD 3.44Å; S10-P13 WeakPolarHBondContact O-CG 3.5Å; P13-S17 VanDerWaalsContact O-CB 3.26Å; P13-S17 WeakPolarHBondContact O-CB 3.46Å; P13-S17 PolarHBondContact O-N 3.16Å; P13-S17 PolarHBondContact O-OG 3.15Å |
| 14 | D | 81.1 | Confident | 70.4 | Confident | 102 Ų | 102 | 92 Ų | 92 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -50.7 | 175.6 | -75.1 | -13.9 | 0 | 0 | 0 | 110.6 | L12 Y16 S17 L18 | L12-D14 VanDerWaalsContact C-N 3.33Å; L12-D14 PolarHBondContact O-N 3.14Å; D14-Y16 PolarHBondContact O-N 3.47Å; D14-S17 PolarHBondContact O-N 2.94Å; D14-S17 PolarHBondContact O-OG 2.92Å; D14-L18 VanDerWaalsContact O-CG 3.27Å; D14-L18 WeakPolarHBondContact O-CG 3.32Å; D14-L18 PolarHBondContact O-N 3.32Å |
| 15 | S | 79.7 | Confident | 71.9 | Confident | 67 Ų | 67 | 90.2 Ų | 90.2 | 47% | 0.469 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | V11 L12 L18 A19 | V11-S15 WeakPolarHBondContact O-CB 3.37Å; V11-S15 PolarHBondContact O-N 3.37Å; V11-S15 PolarHBondContact O-OG 2.98Å; L12-S15 PolarHBondContact O-N 3.47Å; S15-L18 PolarHBondContact O-N 3.33Å; S15-A19 WeakPolarHBondContact O-CB 3.34Å; S15-A19 PolarHBondContact O-N 3.44Å |
| 16 | Y | 79.3 | Confident | 73.5 | Confident | 100 Ų | 100 | 85 Ų | 85 | 39% | 0.392 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 177 | 177.3 | -97.4 | 0 | 0 | 0 | 112 | L12 D14 L18 A19 R20 | L12-Y16 WeakPolarHBondContact O-CB 3.17Å; L12-Y16 PolarHBondContact O-N 3.33Å; D14-Y16 PolarHBondContact O-N 3.47Å; Y16-L18 VanDerWaalsContact C-N 3.34Å; Y16-L18 PolarHBondContact O-N 2.78Å; Y16-A19 PolarHBondContact O-N 2.87Å; Y16-R20 WeakPolarHBondContact O-CB 3.47Å; Y16-R20 PolarHBondContact O-N 3.29Å; Y16-R20 PolarHBondContact OH-NH1 2.67Å |
| 17 | S | 82.2 | Confident | 75.1 | Confident | 61 Ų | 61 | 83.1 Ų | 83.1 | 43% | 0.427 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 179.4 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | P13 D14 R20 R21 | P13-S17 VanDerWaalsContact O-CB 3.26Å; P13-S17 WeakPolarHBondContact O-CB 3.46Å; P13-S17 PolarHBondContact O-N 3.16Å; P13-S17 PolarHBondContact O-OG 3.15Å; D14-S17 PolarHBondContact O-N 2.94Å; D14-S17 PolarHBondContact O-OG 2.92Å; S17-R20 PolarHBondContact O-N 3.19Å; S17-R21 VanDerWaalsContact O-CB 3.3Å; S17-R21 WeakPolarHBondContact O-CB 3.47Å; S17-R21 PolarHBondContact O-N 3.15Å |
| 18 | L | 83.4 | Confident | 76.9 | Confident | 110 Ų | 110 | 81.6 Ų | 81.6 | 58% | 0.576 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.2 | -45.9 | 176.5 | -68.9 | 177.3 | 0 | 0 | 0 | 111.2 | D14 S15 Y16 R21 H22 | D14-L18 VanDerWaalsContact O-CG 3.27Å; D14-L18 WeakPolarHBondContact O-CG 3.32Å; D14-L18 PolarHBondContact O-N 3.32Å; S15-L18 PolarHBondContact O-N 3.33Å; Y16-L18 VanDerWaalsContact C-N 3.34Å; Y16-L18 PolarHBondContact O-N 2.78Å; L18-R21 PolarHBondContact O-N 2.99Å; L18-H22 VanDerWaalsContact O-CB 3.28Å; L18-H22 WeakPolarHBondContact O-CB 3.2Å; L18-H22 PolarHBondContact O-N 3.1Å |
| 19 | A | 79.7 | Confident | 78.6 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S15 Y16 R21 H22 L23 | S15-A19 WeakPolarHBondContact O-CB 3.34Å; S15-A19 PolarHBondContact O-N 3.44Å; Y16-A19 PolarHBondContact O-N 2.87Å; A19-R21 PolarHBondContact O-N 2.75Å; A19-H22 WeakPolarHBondContact O-CB 3.19Å; A19-H22 PolarHBondContact O-N 3.15Å; A19-L23 WeakPolarHBondContact O-CB 3.5Å; A19-L23 VanDerWaalsContact O-CG 3.28Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.43Å |
| 20 | R | 76.7 | Confident | 80.3 | Confident | 140 Ų | 140 | 79 Ų | 79 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176 | -174.1 | 175.1 | -179.1 | 144.5 | -3.1 | 111.6 | Y16 S17 L23 Q24 | Y16-R20 WeakPolarHBondContact O-CB 3.47Å; Y16-R20 PolarHBondContact O-N 3.29Å; Y16-R20 PolarHBondContact OH-NH1 2.67Å; S17-R20 PolarHBondContact O-N 3.19Å; R20-L23 PolarHBondContact O-N 3.31Å; R20-Q24 VanDerWaalsContact O-CG 3.29Å; R20-Q24 WeakPolarHBondContact O-CG 3.35Å; R20-Q24 PolarHBondContact O-N 3.42Å |
| 21 | R | 84.5 | Confident | 81.7 | Confident | 174 Ų | 174 | 80 Ų | 80 | 66% | 0.657 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 176.3 | -176.8 | 177.4 | 176.7 | 176.9 | -0.6 | 111.3 | S17 L18 A19 Q24 L25 | S17-R21 VanDerWaalsContact O-CB 3.3Å; S17-R21 WeakPolarHBondContact O-CB 3.47Å; S17-R21 PolarHBondContact O-N 3.15Å; L18-R21 PolarHBondContact O-N 2.99Å; A19-R21 PolarHBondContact O-N 2.75Å; R21-Q24 PolarHBondContact O-N 2.86Å; R21-L25 HydrophobicContact CG-CD1 4.04Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 WeakPolarHBondContact O-CB 3.45Å; R21-L25 VanDerWaalsContact O-CG 3.26Å; R21-L25 WeakPolarHBondContact O-CG 3.48Å; R21-L25 PolarHBondContact O-N 3.14Å |
| 22 | H | 82.8 | Confident | 83.2 | Confident | 101 Ų | 101 | 78.2 Ų | 78.2 | 47% | 0.468 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 177 | -176.1 | -82.4 | 0 | 0 | 0 | 111.1 | L18 A19 Q24 L25 S26 | L18-H22 VanDerWaalsContact O-CB 3.28Å; L18-H22 WeakPolarHBondContact O-CB 3.2Å; L18-H22 PolarHBondContact O-N 3.1Å; A19-H22 WeakPolarHBondContact O-CB 3.19Å; A19-H22 PolarHBondContact O-N 3.15Å; H22-Q24 PolarHBondContact O-N 2.89Å; H22-L25 PolarHBondContact O-N 3.13Å; H22-L25 VanDerWaalsContact O-N 3.16Å; H22-S26 PolarHBondContact O-N 3.47Å; H22-S26 PolarHBondContact O-OG 3.35Å |
| 23 | L | 81.7 | Confident | 84.4 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 177 | -71.2 | 168.9 | 0 | 0 | 0 | 112.1 | A19 R20 L25 S26 R27 I93 Y96 | A19-L23 WeakPolarHBondContact O-CB 3.5Å; A19-L23 VanDerWaalsContact O-CG 3.28Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.43Å; R20-L23 PolarHBondContact O-N 3.31Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.33Å; L23-S26 PolarHBondContact O-N 3.42Å; L23-R27 WeakPolarHBondContact O-CB 3.4Å; L23-R27 PolarHBondContact O-N 3.13Å; L23-I93 HydrophobicContact CB-CG2 4.14Å; L23-I93 HydrophobicContact CD2-CG2 4.11Å; L23-Y96 HydrophobicContact CD1-CG 4.42Å |
| 24 | Q | 85.5 | Confident | 85.3 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.5 | -68.8 | -66.4 | -14.2 | 0 | 0 | 112.1 | R20 R21 H22 R27 A28 | R20-Q24 VanDerWaalsContact O-CG 3.29Å; R20-Q24 WeakPolarHBondContact O-CG 3.35Å; R20-Q24 PolarHBondContact O-N 3.42Å; R21-Q24 PolarHBondContact O-N 2.86Å; H22-Q24 PolarHBondContact O-N 2.89Å; Q24-R27 PolarHBondContact O-N 3.01Å; Q24-A28 WeakPolarHBondContact O-CB 3.47Å; Q24-A28 PolarHBondContact O-N 3.46Å |
| 25 | L | 87.3 | Confident | 85.8 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 176.4 | -74 | 172.6 | 0 | 0 | 0 | 111.9 | R21 H22 L23 A28 K29 | R21-L25 HydrophobicContact CG-CD1 4.04Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 WeakPolarHBondContact O-CB 3.45Å; R21-L25 VanDerWaalsContact O-CG 3.26Å; R21-L25 WeakPolarHBondContact O-CG 3.48Å; R21-L25 PolarHBondContact O-N 3.14Å; H22-L25 PolarHBondContact O-N 3.13Å; H22-L25 VanDerWaalsContact O-N 3.16Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.33Å; L25-A28 PolarHBondContact O-N 2.89Å; L25-K29 WeakPolarHBondContact O-CB 3.2Å; L25-K29 VanDerWaalsContact O-CG 3.28Å; L25-K29 WeakPolarHBondContact O-CG 3.37Å; L25-K29 PolarHBondContact O-N 2.85Å |
| 26 | S | 85.6 | Confident | 86.5 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.8 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | H22 L23 A28 K29 L30 E118 | H22-S26 PolarHBondContact O-N 3.47Å; H22-S26 PolarHBondContact O-OG 3.35Å; L23-S26 PolarHBondContact O-N 3.42Å; S26-A28 PolarHBondContact O-N 2.87Å; S26-K29 PolarHBondContact O-N 3.43Å; S26-L30 WeakPolarHBondContact O-CB 3.27Å; S26-L30 WeakPolarHBondContact O-CD1 3.44Å; S26-L30 WeakPolarHBondContact O-CG 3.21Å; S26-L30 PolarHBondContact O-N 3.41Å; S26-E118 WeakPolarHBondContact CB-OE1 3.33Å; S26-E118 PolarHBondContact OG-OE1 2.91Å; S26-E118 PolarHBondContact OG-OE2 3.09Å |
| 27 | R | 87.5 | Confident | 87.2 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 174.2 | 179.1 | 177.4 | 171.4 | 88.8 | -9 | 111.9 | L23 Q24 L30 K31 L90 I93 D94 | L23-R27 WeakPolarHBondContact O-CB 3.4Å; L23-R27 PolarHBondContact O-N 3.13Å; Q24-R27 PolarHBondContact O-N 3.01Å; R27-L30 PolarHBondContact O-N 2.79Å; R27-K31 PolarHBondContact O-N 3.42Å; R27-K31 VanDerWaalsContact O-N 3.09Å; R27-L90 HydrophobicContact CG-CD1 3.86Å; R27-I93 HydrophobicContact CB-CD1 4.3Å; R27-I93 HydrophobicContact CB-CG2 4.16Å; R27-D94 IonicContact CZ-OD1 3.35Å; R27-D94 IonicContact CZ-OD2 3.65Å; R27-D94 IonicContact NE-OD1 3.89Å; R27-D94 IonicContact NH1-OD1 2.63Å; R27-D94 PolarHBondContact NH1-OD1 3.3Å; R27-D94 IonicContact NH1-OD2 2.72Å; R27-D94 PolarHBondContact NH1-OD2 3.31Å; R27-D94 IonicContact NH2-OD2 3.9Å |
| 28 | A | 91.3 | Very high | 87.7 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q24 L25 S26 L30 K31 A32 | Q24-A28 WeakPolarHBondContact O-CB 3.47Å; Q24-A28 PolarHBondContact O-N 3.46Å; L25-A28 PolarHBondContact O-N 2.89Å; S26-A28 PolarHBondContact O-N 2.87Å; A28-L30 PolarHBondContact O-N 3.27Å; A28-K31 PolarHBondContact O-N 3.32Å; A28-A32 WeakPolarHBondContact O-CB 3.47Å; A28-A32 PolarHBondContact O-N 3Å |
| 29 | K | 89.1 | Confident | 88.2 | Confident | 103 Ų | 103 | 71.5 Ų | 71.5 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.4 | -73.2 | -176 | 178.3 | 81.2 | 0 | 111.8 | L25 S26 A32 T33 W121 | L25-K29 WeakPolarHBondContact O-CB 3.2Å; L25-K29 VanDerWaalsContact O-CG 3.28Å; L25-K29 WeakPolarHBondContact O-CG 3.37Å; L25-K29 PolarHBondContact O-N 2.85Å; S26-K29 PolarHBondContact O-N 3.43Å; K29-A32 PolarHBondContact O-N 2.78Å; K29-T33 VanDerWaalsContact O-CB 3.3Å; K29-T33 WeakPolarHBondContact O-CB 3.41Å; K29-T33 PolarHBondContact O-N 2.92Å; K29-T33 PolarHBondContact O-OG1 2.87Å; K29-W121 HydrophobicContact CB-CH2 3.93Å |
| 30 | L | 89.7 | Confident | 88.8 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 179.1 | -71.9 | 160.8 | 0 | 0 | 0 | 111.9 | S26 R27 A28 A32 T33 S34 I89 I93 W121 | S26-L30 WeakPolarHBondContact O-CB 3.27Å; S26-L30 WeakPolarHBondContact O-CD1 3.44Å; S26-L30 WeakPolarHBondContact O-CG 3.21Å; S26-L30 PolarHBondContact O-N 3.41Å; R27-L30 PolarHBondContact O-N 2.79Å; A28-L30 PolarHBondContact O-N 3.27Å; L30-A32 PolarHBondContact O-N 3.17Å; L30-T33 PolarHBondContact O-N 3.47Å; L30-S34 WeakPolarHBondContact O-CB 3.46Å; L30-S34 PolarHBondContact O-N 3.37Å; L30-S34 PolarHBondContact O-OG 2.74Å; L30-I89 HydrophobicContact CD1-CB 3.95Å; L30-I89 HydrophobicContact CD1-CG2 3.54Å; L30-I89 HydrophobicContact CD2-CB 4.35Å; L30-I89 HydrophobicContact CD2-CD1 3.71Å; L30-I93 HydrophobicContact CD1-CD1 3.27Å; L30-W121 HydrophobicContact CB-CH2 4.43Å; L30-W121 HydrophobicContact CB-CZ2 4.35Å; L30-W121 HydrophobicContact CD2-CD2 3.73Å; L30-W121 HydrophobicContact CD2-CE3 3.82Å; L30-W121 HydrophobicContact CD2-CG 4.43Å; L30-W121 HydrophobicContact CD2-CH2 3.63Å; L30-W121 HydrophobicContact CD2-CZ2 3.45Å; L30-W121 VanDerWaalsContact CD2-CZ2 3.45Å; L30-W121 HydrophobicContact CD2-CZ3 3.82Å; L30-W121 HydrophobicContact CG-CH2 3.87Å; L30-W121 HydrophobicContact CG-CZ2 4.02Å; L30-W121 HydrophobicContact CG-CZ3 4.22Å |
| 31 | K | 89.6 | Confident | 89.5 | Confident | 81 Ų | 81 | 64.5 Ų | 64.5 | 35% | 0.352 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 176.6 | -74.2 | -169.5 | -179.5 | -174.7 | 0 | 113.5 | R27 A28 S34 R35 L90 | R27-K31 PolarHBondContact O-N 3.42Å; R27-K31 VanDerWaalsContact O-N 3.09Å; A28-K31 PolarHBondContact O-N 3.32Å; K31-S34 PolarHBondContact O-OG 2.87Å; K31-R35 WeakPolarHBondContact O-CG 3.23Å; K31-R35 PolarHBondContact O-NE 3.37Å; K31-L90 HydrophobicContact CG-CD1 4.48Å |
| 32 | A | 93.2 | Very high | 89.9 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.4 | -48.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A28 K29 L30 R35 V36 | A28-A32 WeakPolarHBondContact O-CB 3.47Å; A28-A32 PolarHBondContact O-N 3Å; K29-A32 PolarHBondContact O-N 2.78Å; L30-A32 PolarHBondContact O-N 3.17Å; A32-R35 PolarHBondContact O-N 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.47Å; A32-V36 PolarHBondContact O-N 3Å |
| 33 | T | 89.7 | Confident | 90.3 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | -178 | -54.7 | 0 | 0 | 0 | 0 | 113 | K29 L30 R35 V36 S37 W121 T125 | K29-T33 VanDerWaalsContact O-CB 3.3Å; K29-T33 WeakPolarHBondContact O-CB 3.41Å; K29-T33 PolarHBondContact O-N 2.92Å; K29-T33 PolarHBondContact O-OG1 2.87Å; L30-T33 PolarHBondContact O-N 3.47Å; T33-R35 VanDerWaalsContact C-N 3.28Å; T33-R35 PolarHBondContact O-N 2.84Å; T33-V36 PolarHBondContact O-N 2.78Å; T33-S37 VanDerWaalsContact O-CB 3.23Å; T33-S37 WeakPolarHBondContact O-CB 3.32Å; T33-S37 PolarHBondContact O-N 3.38Å; T33-S37 PolarHBondContact O-OG 3.09Å; T33-W121 HydrophobicContact CG2-CH2 4.47Å; T33-W121 HydrophobicContact CG2-CZ2 3.45Å; T33-W121 VanDerWaalsContact CG2-CZ2 3.45Å; T33-W121 WeakPolarHBondContact OG1-CZ2 3.41Å; T33-T125 HydrophobicContact CG2-CG2 3.23Å |
| 34 | S | 91.2 | Very high | 90.7 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.9 | 63.8 | 0 | 0 | 0 | 0 | 111 | L30 K31 S37 A38 | L30-S34 WeakPolarHBondContact O-CB 3.46Å; L30-S34 PolarHBondContact O-N 3.37Å; L30-S34 PolarHBondContact O-OG 2.74Å; K31-S34 PolarHBondContact O-OG 2.87Å; S34-S37 PolarHBondContact O-N 2.95Å; S34-A38 WeakPolarHBondContact O-CB 3.34Å; S34-A38 PolarHBondContact O-N 3.26Å |
| 35 | R | 92.7 | Very high | 90.9 | Very high | 167 Ų | 167 | 58.3 Ų | 58.3 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.6 | -50.2 | 174.1 | -74.5 | -177.8 | -80.3 | 164.3 | -6.8 | 112.2 | K31 A32 T33 S37 A38 L39 | K31-R35 WeakPolarHBondContact O-CG 3.23Å; K31-R35 PolarHBondContact O-NE 3.37Å; A32-R35 PolarHBondContact O-N 3.3Å; T33-R35 VanDerWaalsContact C-N 3.28Å; T33-R35 PolarHBondContact O-N 2.84Å; R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 3.44Å; R35-A38 PolarHBondContact O-N 3.32Å; R35-L39 WeakPolarHBondContact O-CG 3.02Å; R35-L39 PolarHBondContact O-N 2.95Å |
| 36 | V | 93.7 | Very high | 91.1 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | A32 T33 L39 L40 | A32-V36 WeakPolarHBondContact O-CG2 3.47Å; A32-V36 PolarHBondContact O-N 3Å; T33-V36 PolarHBondContact O-N 2.78Å; V36-L39 PolarHBondContact O-N 2.96Å; V36-L40 HydrophobicContact CG1-CD1 3.85Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 3.24Å |
| 37 | S | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | -177.8 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | T33 S34 R35 L39 A41 H79 | T33-S37 VanDerWaalsContact O-CB 3.23Å; T33-S37 WeakPolarHBondContact O-CB 3.32Å; T33-S37 PolarHBondContact O-N 3.38Å; T33-S37 PolarHBondContact O-OG 3.09Å; S34-S37 PolarHBondContact O-N 2.95Å; R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 3.44Å; S37-L39 VanDerWaalsContact C-N 3.32Å; S37-L39 PolarHBondContact O-N 3.39Å; S37-A41 WeakPolarHBondContact O-CB 3.32Å; S37-A41 PolarHBondContact O-N 2.93Å; S37-H79 VanDerWaalsContact CA-CD2 3.5Å; S37-H79 WeakPolarHBondContact CA-CD2 3.5Å; S37-H79 PolarHBondContact O-CD2 3.44Å; S37-H79 VanDerWaalsContact O-CD2 3.26Å |
| 38 | A | 93 | Very high | 91.1 | Very high | 59 Ų | 59 | 60 Ų | 60 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S34 R35 G42 | S34-A38 WeakPolarHBondContact O-CB 3.34Å; S34-A38 PolarHBondContact O-N 3.26Å; R35-A38 PolarHBondContact O-N 3.32Å; A38-G42 PolarHBondContact O-N 2.93Å |
| 39 | L | 93.6 | Very high | 91.1 | Very high | 108 Ų | 108 | 62.6 Ų | 62.6 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.9 | -47.1 | 178.2 | -69.9 | 175.9 | 0 | 0 | 0 | 112.5 | R35 V36 S37 G42 F43 | R35-L39 WeakPolarHBondContact O-CG 3.02Å; R35-L39 PolarHBondContact O-N 2.95Å; V36-L39 PolarHBondContact O-N 2.96Å; S37-L39 VanDerWaalsContact C-N 3.32Å; S37-L39 PolarHBondContact O-N 3.39Å; L39-G42 CarbonylContact O-C 3.55Å; L39-G42 PolarHBondContact O-N 3.33Å; L39-F43 HydrophobicContact CB-CD2 4.47Å; L39-F43 HydrophobicContact CB-CE2 4.26Å; L39-F43 WeakPolarHBondContact O-CD2 3.22Å; L39-F43 WeakPolarHBondContact O-CG 3.49Å; L39-F43 PolarHBondContact O-N 2.91Å |
| 40 | L | 92.7 | Very high | 91 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 179.2 | -70.6 | 176.8 | 0 | 0 | 0 | 111.9 | V36 G42 F43 A44 H79 F132 | V36-L40 HydrophobicContact CG1-CD1 3.85Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 3.24Å; L40-G42 VanDerWaalsContact C-N 3.32Å; L40-G42 PolarHBondContact O-N 3.48Å; L40-F43 PolarHBondContact O-N 2.93Å; L40-A44 WeakPolarHBondContact O-CB 3.26Å; L40-A44 PolarHBondContact O-N 3.33Å; L40-H79 VanDerWaalsContact CB-NE2 3.33Å; L40-H79 WeakPolarHBondContact CB-NE2 3.33Å; L40-H79 VanDerWaalsContact CD1-NE2 3.33Å; L40-H79 WeakPolarHBondContact CD1-NE2 3.15Å; L40-F132 HydrophobicContact CB-CD2 4.26Å; L40-F132 HydrophobicContact CD2-CD1 4.04Å; L40-F132 HydrophobicContact CD2-CD2 3.81Å; L40-F132 HydrophobicContact CD2-CE1 3.89Å; L40-F132 HydrophobicContact CD2-CE2 3.68Å; L40-F132 HydrophobicContact CD2-CG 4.01Å; L40-F132 HydrophobicContact CD2-CZ 3.73Å |
| 41 | A | 92.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 65 Ų | 65 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S37 A44 M45 H79 | S37-A41 WeakPolarHBondContact O-CB 3.32Å; S37-A41 PolarHBondContact O-N 2.93Å; A41-A44 PolarHBondContact O-N 3.32Å; A41-M45 WeakPolarHBondContact O-CB 3.32Å; A41-M45 PolarHBondContact O-N 2.82Å; A41-H79 HydrophobicContact CB-CB 3.91Å |
| 42 | G | 92.7 | Very high | 90.1 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -49.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A38 L39 L40 A44 M45 V46 | A38-G42 PolarHBondContact O-N 2.93Å; L39-G42 CarbonylContact O-C 3.55Å; L39-G42 PolarHBondContact O-N 3.33Å; L40-G42 VanDerWaalsContact C-N 3.32Å; L40-G42 PolarHBondContact O-N 3.48Å; G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 3.49Å; G42-M45 PolarHBondContact O-N 3.23Å; G42-V46 VanDerWaalsContact O-CG2 3.32Å; G42-V46 WeakPolarHBondContact O-CG2 3.15Å; G42-V46 PolarHBondContact O-N 3.31Å |
| 43 | F | 91 | Very high | 89.1 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 176.8 | -74.4 | -53.1 | 0 | 0 | 0 | 112.1 | L39 L40 A47 F132 | L39-F43 HydrophobicContact CB-CD2 4.47Å; L39-F43 HydrophobicContact CB-CE2 4.26Å; L39-F43 WeakPolarHBondContact O-CD2 3.22Å; L39-F43 WeakPolarHBondContact O-CG 3.49Å; L39-F43 PolarHBondContact O-N 2.91Å; L40-F43 PolarHBondContact O-N 2.93Å; F43-A47 VanDerWaalsContact O-CB 3.32Å; F43-A47 WeakPolarHBondContact O-CB 3.2Å; F43-A47 PolarHBondContact O-N 2.93Å; F43-F132 HydrophobicContact CB-CE2 4.35Å |
| 44 | A | 89.9 | Confident | 87.8 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 2% | 0.017 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L40 A41 G42 V46 A47 I48 L75 | L40-A44 WeakPolarHBondContact O-CB 3.26Å; L40-A44 PolarHBondContact O-N 3.33Å; A41-A44 PolarHBondContact O-N 3.32Å; G42-A44 VanDerWaalsContact C-N 3.31Å; G42-A44 PolarHBondContact O-N 3.49Å; A44-V46 PolarHBondContact O-N 3.31Å; A44-A47 PolarHBondContact O-N 3.45Å; A44-I48 VanDerWaalsContact O-CG1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.24Å; A44-I48 PolarHBondContact O-N 3.44Å; A44-L75 HydrophobicContact CB-CD2 3.41Å; A44-L75 VanDerWaalsContact CB-CD2 3.41Å; A44-L75 HydrophobicContact CB-CG 4.27Å |
| 45 | M | 90 | Very high | 86.3 | Confident | 109 Ų | 109 | 76.3 Ų | 76.3 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 177.5 | -176.8 | -178.6 | -74.8 | 0 | 0 | 111.6 | A41 G42 A47 I48 I49 | A41-M45 WeakPolarHBondContact O-CB 3.32Å; A41-M45 PolarHBondContact O-N 2.82Å; G42-M45 PolarHBondContact O-N 3.23Å; M45-A47 VanDerWaalsContact C-N 3.34Å; M45-A47 PolarHBondContact O-N 3.36Å; M45-I48 PolarHBondContact O-N 2.88Å; M45-I49 PolarHBondContact O-N 3.44Å; M45-I49 VanDerWaalsContact O-N 3.09Å |
| 46 | V | 91.8 | Very high | 84.7 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | G42 A44 I48 I49 E50 | G42-V46 VanDerWaalsContact O-CG2 3.32Å; G42-V46 WeakPolarHBondContact O-CG2 3.15Å; G42-V46 PolarHBondContact O-N 3.31Å; A44-V46 PolarHBondContact O-N 3.31Å; V46-I48 VanDerWaalsContact C-N 3.32Å; V46-I48 PolarHBondContact O-N 3.48Å; V46-I49 WeakPolarHBondContact O-CG1 3.17Å; V46-I49 PolarHBondContact O-N 2.84Å; V46-E50 HydrophobicContact CG1-CG 3.97Å; V46-E50 VanDerWaalsContact O-CB 3.26Å; V46-E50 WeakPolarHBondContact O-CB 3.3Å; V46-E50 VanDerWaalsContact O-CG 3.22Å; V46-E50 WeakPolarHBondContact O-CG 3.34Å; V46-E50 PolarHBondContact O-N 2.89Å |
| 47 | A | 86.4 | Confident | 82.9 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 35% | 0.347 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F43 A44 M45 L51 | F43-A47 VanDerWaalsContact O-CB 3.32Å; F43-A47 WeakPolarHBondContact O-CB 3.2Å; F43-A47 PolarHBondContact O-N 2.93Å; A44-A47 PolarHBondContact O-N 3.45Å; M45-A47 VanDerWaalsContact C-N 3.34Å; M45-A47 PolarHBondContact O-N 3.36Å; A47-L51 WeakPolarHBondContact O-CB 3.47Å; A47-L51 PolarHBondContact O-N 3.43Å |
| 48 | I | 86.4 | Confident | 81.5 | Confident | 59 Ų | 59 | 78.9 Ų | 78.9 | 30% | 0.303 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 176.9 | -65.2 | 161 | 0 | 0 | 0 | 111.1 | A44 M45 V46 E50 L51 F68 | A44-I48 VanDerWaalsContact O-CG1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.24Å; A44-I48 PolarHBondContact O-N 3.44Å; M45-I48 PolarHBondContact O-N 2.88Å; V46-I48 VanDerWaalsContact C-N 3.32Å; V46-I48 PolarHBondContact O-N 3.48Å; I48-E50 VanDerWaalsContact C-N 3.35Å; I48-L51 PolarHBondContact O-N 2.97Å; I48-F68 HydrophobicContact CG1-CE1 4.24Å; I48-F68 HydrophobicContact CG1-CZ 4.08Å |
| 49 | I | 89.6 | Confident | 80.1 | Confident | 114 Ų | 114 | 83 Ų | 83 | 59% | 0.585 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.9 | -32.4 | -177.5 | 64.5 | 175.6 | 0 | 0 | 0 | 112.1 | M45 V46 | M45-I49 PolarHBondContact O-N 3.44Å; M45-I49 VanDerWaalsContact O-N 3.09Å; V46-I49 WeakPolarHBondContact O-CG1 3.17Å; V46-I49 PolarHBondContact O-N 2.84Å |
| 50 | E | 88.3 | Confident | 79.1 | Confident | 120 Ų | 120 | 78.3 Ų | 78.3 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -83 | -15 | 178.3 | -67.3 | -59.5 | 150.5 | 0 | 0 | 112.6 | V46 I48 Q52 | V46-E50 HydrophobicContact CG1-CG 3.97Å; V46-E50 VanDerWaalsContact O-CB 3.26Å; V46-E50 WeakPolarHBondContact O-CB 3.3Å; V46-E50 VanDerWaalsContact O-CG 3.22Å; V46-E50 WeakPolarHBondContact O-CG 3.34Å; V46-E50 PolarHBondContact O-N 2.89Å; I48-E50 VanDerWaalsContact C-N 3.35Å; E50-Q52 VanDerWaalsContact C-N 3.31Å; E50-Q52 PolarHBondContact O-N 2.79Å |
| 51 | L | 82 | Confident | 78.5 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 18% | 0.178 | 45% | 0.447 | C | S | . | . | trans | -74.7 | 87.7 | 178.6 | -173.7 | 67.1 | 0 | 0 | 0 | 110.3 | A47 I48 V53 F68 V142 | A47-L51 WeakPolarHBondContact O-CB 3.47Å; A47-L51 PolarHBondContact O-N 3.43Å; I48-L51 PolarHBondContact O-N 2.97Å; L51-V53 HydrophobicContact CG-CG2 4.36Å; L51-V53 PolarHBondContact O-N 3.29Å; L51-F68 HydrophobicContact CD2-CD1 3.78Å; L51-F68 HydrophobicContact CD2-CE1 3.27Å; L51-F68 HydrophobicContact CD2-CE2 4.22Å; L51-F68 HydrophobicContact CD2-CG 4.45Å; L51-F68 HydrophobicContact CD2-CZ 3.52Å; L51-V142 HydrophobicContact CD1-CG1 4.21Å; L51-V142 HydrophobicContact CD2-CB 4.33Å; L51-V142 HydrophobicContact CD2-CG1 3.91Å; L51-V142 HydrophobicContact CG-CG1 4.35Å | ||
| 52 | Q | 78.1 | Confident | 78 | Confident | 162 Ų | 162 | 87.4 Ų | 87.4 | 76% | 0.757 | 48% | 0.479 | S | S | * | . | trans | -86.1 | 108.6 | 169.4 | -61.4 | 178.7 | 17.3 | 0 | 0 | 108.7 | E50 A54 | E50-Q52 VanDerWaalsContact C-N 3.31Å; E50-Q52 PolarHBondContact O-N 2.79Å; Q52-A54 PolarHBondContact O-N 2.92Å | ||
| 53 | V | 71.2 | Confident | 77.7 | Confident | 51 Ų | 51 | 88.2 Ų | 88.2 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | trans | -79 | 116.8 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | L51 V55 P60 L65 V142 | L51-V53 HydrophobicContact CG-CG2 4.36Å; L51-V53 PolarHBondContact O-N 3.29Å; V53-V55 PolarHBondContact O-N 3.39Å; V53-V55 VanDerWaalsContact O-N 3.14Å; V53-P60 HydrophobicContact CG1-CG 3.79Å; V53-L65 HydrophobicContact CG1-CD2 4.42Å; V53-L65 HydrophobicContact CG2-CD2 3.69Å; V53-V142 HydrophobicContact CG2-CG1 3.79Å | ||
| 54 | A | 63.4 | Low | 77.5 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 66% | 0.661 | 47% | 0.468 | S | S | * | . | trans | -60.9 | 118.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q52 G56 | Q52-A54 PolarHBondContact O-N 2.92Å; A54-G56 PolarHBondContact O-N 3.28Å | ||
| 55 | V | 59.9 | Low | 77.4 | Confident | 129 Ų | 129 | 85.8 Ų | 85.8 | 78% | 0.782 | 48% | 0.48 | S | S | * | . | trans | -77.9 | 63.7 | 174 | -170 | 0 | 0 | 0 | 0 | 108.3 | V53 | V53-V55 PolarHBondContact O-N 3.39Å; V53-V55 VanDerWaalsContact O-N 3.14Å | ||
| 56 | G | 58.1 | Low | 77.5 | Confident | 36 Ų | 36 | 87.2 Ų | 87.2 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -105.1 | 172.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A54 S58 K59 | A54-G56 PolarHBondContact O-N 3.28Å; G56-S58 PolarHBondContact O-N 3.48Å; G56-S58 VanDerWaalsContact O-N 3.08Å; G56-K59 PolarHBondContact O-N 3.2Å |
| 57 | E | 56.9 | Low | 77.4 | Confident | 213 Ų | 213 | 85.3 Ų | 85.3 | 100% | 0.995 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -54 | -29.7 | -175 | -74.8 | 178.2 | 131.5 | 0 | 0 | 114.3 | K59 | E57-K59 PolarHBondContact O-N 2.84Š|
| 58 | S | 63 | Low | 77.6 | Confident | 55 Ų | 55 | 83.7 Ų | 83.7 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -93.5 | 67.7 | 173 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | G56 S146 | G56-S58 PolarHBondContact O-N 3.48Å; G56-S58 VanDerWaalsContact O-N 3.08Å; S58-S146 PolarHBondContact OG-OG 3.07Å; S58-S146 VanDerWaalsContact OG-OG 3.08Å |
| 59 | K | 65 | Low | 77.8 | Confident | 145 Ų | 145 | 84.3 Ų | 84.3 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 130.4 | 174.3 | -80.6 | 179.4 | 176.4 | 170.1 | 0 | 109.8 | G56 E57 | G56-K59 PolarHBondContact O-N 3.2Å; E57-K59 PolarHBondContact O-N 2.84Å |
| 60 | P | 71.4 | Confident | 78.1 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 7% | 0.071 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 148.2 | 168.3 | 24.1 | -29.8 | 0 | 0 | 0 | 109.5 | V53 E62 L65 W145 | V53-P60 HydrophobicContact CG1-CG 3.79Å; P60-E62 PolarHBondContact O-N 3.35Å; P60-L65 HydrophobicContact CG-CD1 4.14Å; P60-L65 HydrophobicContact CG-CD2 4.24Å; P60-L65 HydrophobicContact CG-CG 4.23Å; P60-W145 HydrophobicContact CB-CB 4.33Å; P60-W145 HydrophobicContact CB-CD2 4.28Å; P60-W145 HydrophobicContact CB-CG 3.93Å |
| 61 | P | 80.6 | Confident | 78.3 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 40% | 0.403 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 134.4 | 179.8 | 22.7 | -32 | 0 | 0 | 0 | 109.9 | G63 L64 W145 | P61-G63 PolarHBondContact O-N 2.69Å; P61-G63 VanDerWaalsContact O-N 3.09Å; P61-L64 HydrophobicContact CG-CB 4.1Å; P61-L64 WeakPolarHBondContact O-CB 3.43Å; P61-L64 PolarHBondContact O-N 3.37Å; P61-W145 VanDerWaalsContact CD-CZ2 3.48Å; P61-W145 HydrophobicContact CG-CH2 4.05Å; P61-W145 HydrophobicContact CG-CZ2 4.23Å; P61-W145 HydrophobicContact CG-CZ3 4.48Å |
| 62 | E | 83.2 | Confident | 78.8 | Confident | 171 Ų | 171 | 77.1 Ų | 77.1 | 80% | 0.799 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -54.5 | -34.7 | -176.2 | -62.4 | -178.9 | 173.4 | 0 | 0 | 112 | P60 L64 L65 F66 | P60-E62 PolarHBondContact O-N 3.35Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.49Å; E62-L65 PolarHBondContact O-N 2.97Å; E62-F66 WeakPolarHBondContact O-CB 3.44Å; E62-F66 PolarHBondContact O-N 2.85Å |
| 63 | G | 86.4 | Confident | 79.6 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P61 A67 | P61-G63 PolarHBondContact O-N 2.69Å; P61-G63 VanDerWaalsContact O-N 3.09Å; G63-A67 VanDerWaalsContact O-CB 3.3Å; G63-A67 WeakPolarHBondContact O-CB 3.34Å; G63-A67 PolarHBondContact O-N 3.46Å |
| 64 | L | 86.6 | Confident | 80.7 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 16% | 0.162 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71.6 | -42.3 | 179.3 | -168 | 89.8 | 0 | 0 | 0 | 111 | P61 E62 A67 F68 L138 W141 V142 | P61-L64 HydrophobicContact CG-CB 4.1Å; P61-L64 WeakPolarHBondContact O-CB 3.43Å; P61-L64 PolarHBondContact O-N 3.37Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.49Å; L64-A67 PolarHBondContact O-N 2.95Å; L64-F68 WeakPolarHBondContact O-CB 3.37Å; L64-F68 PolarHBondContact O-N 3.18Å; L64-L138 HydrophobicContact CD1-CD2 3.78Å; L64-L138 HydrophobicContact CG-CD2 4.41Å; L64-W141 HydrophobicContact CD1-CB 4.33Å; L64-W141 HydrophobicContact CD2-CB 3.88Å; L64-V142 HydrophobicContact CD2-CB 4.42Å; L64-V142 HydrophobicContact CD2-CG2 3.54Å; L64-V142 HydrophobicContact CG-CG2 4.12Å |
| 65 | L | 87.5 | Confident | 82.1 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175.7 | -66 | 177.5 | 0 | 0 | 0 | 111.6 | V53 P60 E62 F68 T69 V142 | V53-L65 HydrophobicContact CG1-CD2 4.42Å; V53-L65 HydrophobicContact CG2-CD2 3.69Å; P60-L65 HydrophobicContact CG-CD1 4.14Å; P60-L65 HydrophobicContact CG-CD2 4.24Å; P60-L65 HydrophobicContact CG-CG 4.23Å; E62-L65 PolarHBondContact O-N 2.97Å; L65-F68 PolarHBondContact O-N 3.24Å; L65-T69 WeakPolarHBondContact O-CB 3.33Å; L65-T69 PolarHBondContact O-N 3.25Å; L65-T69 PolarHBondContact O-OG1 3.3Å; L65-V142 HydrophobicContact CD2-CB 4.44Å; L65-V142 HydrophobicContact CD2-CG1 3.55Å; L65-V142 HydrophobicContact CD2-CG2 3.94Å |
| 66 | F | 90.6 | Very high | 83.8 | Confident | 140 Ų | 140 | 65.4 Ų | 65.4 | 61% | 0.614 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.9 | -48.7 | 175.5 | -177.4 | -108 | 0 | 0 | 0 | 111.3 | E62 F68 T69 I70 | E62-F66 WeakPolarHBondContact O-CB 3.44Å; E62-F66 PolarHBondContact O-N 2.85Å; F66-F68 PolarHBondContact O-N 2.9Å; F66-T69 PolarHBondContact O-N 2.93Å; F66-I70 HydrophobicContact CD1-CD1 3.75Å; F66-I70 HydrophobicContact CD2-CD1 4.27Å; F66-I70 HydrophobicContact CE1-CD1 3.24Å; F66-I70 HydrophobicContact CE2-CD1 3.82Å; F66-I70 HydrophobicContact CG-CD1 4.25Å; F66-I70 HydrophobicContact CZ-CD1 3.3Å; F66-I70 HydrophobicContact CZ-CG1 4.42Å; F66-I70 WeakPolarHBondContact O-CG1 3.46Å; F66-I70 PolarHBondContact O-N 3.02Å |
| 67 | A | 91.5 | Very high | 85.5 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G63 L64 T69 I70 L71 L138 | G63-A67 VanDerWaalsContact O-CB 3.3Å; G63-A67 WeakPolarHBondContact O-CB 3.34Å; G63-A67 PolarHBondContact O-N 3.46Å; L64-A67 PolarHBondContact O-N 2.95Å; A67-T69 VanDerWaalsContact C-N 3.33Å; A67-T69 PolarHBondContact O-N 3.44Å; A67-I70 PolarHBondContact O-N 3.5Å; A67-L71 WeakPolarHBondContact O-CB 3.48Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 2.8Å; A67-L138 HydrophobicContact CB-CD1 4.18Å |
| 68 | F | 90.6 | Very high | 87.3 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 176.1 | 169.8 | -100.8 | 0 | 0 | 0 | 111.5 | I48 L51 L64 L65 F66 S72 V135 L138 A139 V142 | I48-F68 HydrophobicContact CG1-CE1 4.24Å; I48-F68 HydrophobicContact CG1-CZ 4.08Å; L51-F68 HydrophobicContact CD2-CD1 3.78Å; L51-F68 HydrophobicContact CD2-CE1 3.27Å; L51-F68 HydrophobicContact CD2-CE2 4.22Å; L51-F68 HydrophobicContact CD2-CG 4.45Å; L51-F68 HydrophobicContact CD2-CZ 3.52Å; L64-F68 WeakPolarHBondContact O-CB 3.37Å; L64-F68 PolarHBondContact O-N 3.18Å; L65-F68 PolarHBondContact O-N 3.24Å; F66-F68 PolarHBondContact O-N 2.9Å; F68-S72 VanDerWaalsContact O-CB 3.27Å; F68-S72 WeakPolarHBondContact O-CB 3.36Å; F68-S72 PolarHBondContact O-N 3.49Å; F68-S72 PolarHBondContact O-OG 2.96Å; F68-V135 HydrophobicContact CE2-CG1 3.94Å; F68-L138 HydrophobicContact CB-CB 4.26Å; F68-L138 HydrophobicContact CB-CD1 4.25Å; F68-L138 HydrophobicContact CD2-CB 4.01Å; F68-A139 HydrophobicContact CE2-CB 3.97Å; F68-V142 HydrophobicContact CB-CG2 4.42Å |
| 69 | T | 90.5 | Very high | 88.7 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | L65 F66 A67 S72 C73 | L65-T69 WeakPolarHBondContact O-CB 3.33Å; L65-T69 PolarHBondContact O-N 3.25Å; L65-T69 PolarHBondContact O-OG1 3.3Å; F66-T69 PolarHBondContact O-N 2.93Å; A67-T69 VanDerWaalsContact C-N 3.33Å; A67-T69 PolarHBondContact O-N 3.44Å; T69-S72 PolarHBondContact O-N 2.86Å; T69-C73 WeakPolarHBondContact O-CB 3.27Å; T69-C73 PolarHBondContact O-N 3.37Å; T69-C73 PolarHBondContact O-SG 3.06Å |
| 70 | I | 94.4 | Very high | 90 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 179.6 | -71.1 | 176.1 | 0 | 0 | 0 | 111.4 | F66 A67 S72 C73 L74 | F66-I70 HydrophobicContact CD1-CD1 3.75Å; F66-I70 HydrophobicContact CD2-CD1 4.27Å; F66-I70 HydrophobicContact CE1-CD1 3.24Å; F66-I70 HydrophobicContact CE2-CD1 3.82Å; F66-I70 HydrophobicContact CG-CD1 4.25Å; F66-I70 HydrophobicContact CZ-CD1 3.3Å; F66-I70 HydrophobicContact CZ-CG1 4.42Å; F66-I70 WeakPolarHBondContact O-CG1 3.46Å; F66-I70 PolarHBondContact O-N 3.02Å; A67-I70 PolarHBondContact O-N 3.5Å; I70-S72 VanDerWaalsContact C-N 3.27Å; I70-S72 PolarHBondContact O-N 2.95Å; I70-C73 PolarHBondContact O-N 3.36Å; I70-L74 HydrophobicContact CG2-CD1 3.86Å; I70-L74 HydrophobicContact CG2-CG 4.25Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.31Å |
| 71 | L | 94.1 | Very high | 91 | Very high | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | -179.2 | -67.7 | -173.5 | 0 | 0 | 0 | 111.4 | A67 L74 L75 L131 A134 V135 L138 | A67-L71 WeakPolarHBondContact O-CB 3.48Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 2.8Å; L71-L74 PolarHBondContact O-N 2.92Å; L71-L75 WeakPolarHBondContact O-CB 3.22Å; L71-L75 PolarHBondContact O-N 3.4Å; L71-L131 HydrophobicContact CB-CD2 4.43Å; L71-L131 HydrophobicContact CD2-CD2 3.84Å; L71-A134 HydrophobicContact CD1-CB 3.92Å; L71-V135 HydrophobicContact CB-CG2 3.74Å; L71-L138 HydrophobicContact CD1-CD1 3.54Å; L71-L138 HydrophobicContact CG-CD1 4.37Å |
| 72 | S | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | F68 T69 I70 L75 V76 V135 | F68-S72 VanDerWaalsContact O-CB 3.27Å; F68-S72 WeakPolarHBondContact O-CB 3.36Å; F68-S72 PolarHBondContact O-N 3.49Å; F68-S72 PolarHBondContact O-OG 2.96Å; T69-S72 PolarHBondContact O-N 2.86Å; I70-S72 VanDerWaalsContact C-N 3.27Å; I70-S72 PolarHBondContact O-N 2.95Å; S72-L75 WeakPolarHBondContact O-CB 3.46Å; S72-L75 PolarHBondContact O-N 2.85Å; S72-V76 WeakPolarHBondContact O-CG2 3.33Å; S72-V76 PolarHBondContact O-N 2.85Å; S72-V76 VanDerWaalsContact O-N 3.09Å; S72-V135 WeakPolarHBondContact OG-CG1 3.36Å |
| 73 | C | 93.3 | Very high | 91.9 | Very high | 69 Ų | 69 | 49 Ų | 49 | 47% | 0.466 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 172 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | T69 I70 L75 V76 V77 | T69-C73 WeakPolarHBondContact O-CB 3.27Å; T69-C73 PolarHBondContact O-N 3.37Å; T69-C73 PolarHBondContact O-SG 3.06Å; I70-C73 PolarHBondContact O-N 3.36Å; C73-L75 VanDerWaalsContact C-N 3.3Å; C73-L75 PolarHBondContact O-N 2.84Å; C73-V76 PolarHBondContact O-N 3.33Å; C73-V77 VanDerWaalsContact O-CG2 3.29Å; C73-V77 WeakPolarHBondContact O-CG2 3.24Å; C73-V77 PolarHBondContact O-N 3.35Å |
| 74 | L | 94.3 | Very high | 92.2 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 177.8 | -72.7 | 177.7 | 0 | 0 | 0 | 111.8 | I70 L71 V77 V78 L131 | I70-L74 HydrophobicContact CG2-CD1 3.86Å; I70-L74 HydrophobicContact CG2-CG 4.25Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.31Å; L71-L74 PolarHBondContact O-N 2.92Å; L74-V77 PolarHBondContact O-N 3.42Å; L74-V78 WeakPolarHBondContact O-CB 3.15Å; L74-V78 VanDerWaalsContact O-CG2 3.22Å; L74-V78 WeakPolarHBondContact O-CG2 3.2Å; L74-V78 PolarHBondContact O-N 3.44Å; L74-L131 HydrophobicContact CB-CD2 3.95Å |
| 75 | L | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.4 | -51.4 | 175 | 172.2 | 63.9 | 0 | 0 | 0 | 111.5 | A44 L71 S72 C73 V78 H79 G128 L131 F132 V135 | A44-L75 HydrophobicContact CB-CD2 3.41Å; A44-L75 VanDerWaalsContact CB-CD2 3.41Å; A44-L75 HydrophobicContact CB-CG 4.27Å; L71-L75 WeakPolarHBondContact O-CB 3.22Å; L71-L75 PolarHBondContact O-N 3.4Å; S72-L75 WeakPolarHBondContact O-CB 3.46Å; S72-L75 PolarHBondContact O-N 2.85Å; C73-L75 VanDerWaalsContact C-N 3.3Å; C73-L75 PolarHBondContact O-N 2.84Å; L75-V78 PolarHBondContact O-N 3.43Å; L75-H79 WeakPolarHBondContact CD1-CE1 3.33Å; L75-H79 WeakPolarHBondContact CD1-ND1 3.25Å; L75-H79 WeakPolarHBondContact O-CB 3.35Å; L75-H79 PolarHBondContact O-N 3.2Å; L75-H79 PolarHBondContact O-ND1 2.86Å; L75-G128 WeakPolarHBondContact CD1-O 3.4Å; L75-L131 HydrophobicContact CB-CB 4.06Å; L75-L131 HydrophobicContact CD1-CB 3.83Å; L75-F132 HydrophobicContact CD1-CB 3.8Å; L75-F132 HydrophobicContact CD2-CB 4.26Å; L75-F132 HydrophobicContact CD2-CD2 3.95Å; L75-V135 HydrophobicContact CB-CG2 4.39Å; L75-V135 HydrophobicContact CD2-CB 4.1Å; L75-V135 HydrophobicContact CD2-CG1 4.28Å; L75-V135 HydrophobicContact CD2-CG2 3.9Å |
| 76 | V | 94.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | S72 C73 V78 H79 I80 | S72-V76 WeakPolarHBondContact O-CG2 3.33Å; S72-V76 PolarHBondContact O-N 2.85Å; S72-V76 VanDerWaalsContact O-N 3.09Å; C73-V76 PolarHBondContact O-N 3.33Å; V76-V78 PolarHBondContact O-N 2.98Å; V76-H79 PolarHBondContact O-N 3.47Å; V76-I80 HydrophobicContact CG1-CD1 3.67Å; V76-I80 HydrophobicContact CG1-CG1 4.34Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.4Å; V76-I80 PolarHBondContact O-N 3.24Å |
| 77 | V | 94.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 46.6 Ų | 46.6 | 53% | 0.527 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 178.8 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | C73 L74 H79 I80 M81 | C73-V77 VanDerWaalsContact O-CG2 3.29Å; C73-V77 WeakPolarHBondContact O-CG2 3.24Å; C73-V77 PolarHBondContact O-N 3.35Å; L74-V77 PolarHBondContact O-N 3.42Å; V77-H79 VanDerWaalsContact C-N 3.31Å; V77-H79 PolarHBondContact O-N 2.92Å; V77-I80 PolarHBondContact O-N 2.78Å; V77-M81 WeakPolarHBondContact O-CB 3.4Å; V77-M81 PolarHBondContact O-N 3.41Å |
| 78 | V | 94.2 | Very high | 92.2 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 179.1 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | L74 L75 V76 M81 A82 S124 L131 | L74-V78 WeakPolarHBondContact O-CB 3.15Å; L74-V78 VanDerWaalsContact O-CG2 3.22Å; L74-V78 WeakPolarHBondContact O-CG2 3.2Å; L74-V78 PolarHBondContact O-N 3.44Å; L75-V78 PolarHBondContact O-N 3.43Å; V76-V78 PolarHBondContact O-N 2.98Å; V78-M81 WeakPolarHBondContact O-CB 3.38Å; V78-M81 PolarHBondContact O-N 3.3Å; V78-A82 PolarHBondContact O-N 3.43Å; V78-S124 WeakPolarHBondContact CG1-O 3.28Å; V78-L131 HydrophobicContact CB-CD1 4.3Å; V78-L131 HydrophobicContact CG2-CD1 3.89Å |
| 79 | H | 93.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.4 | -38.9 | 177.1 | -79.4 | 60.4 | 0 | 0 | 0 | 112.4 | S37 L40 A41 L75 V76 V77 M81 A82 V83 G128 | S37-H79 VanDerWaalsContact CA-CD2 3.5Å; S37-H79 WeakPolarHBondContact CA-CD2 3.5Å; S37-H79 PolarHBondContact O-CD2 3.44Å; S37-H79 VanDerWaalsContact O-CD2 3.26Å; L40-H79 VanDerWaalsContact CB-NE2 3.33Å; L40-H79 WeakPolarHBondContact CB-NE2 3.33Å; L40-H79 VanDerWaalsContact CD1-NE2 3.33Å; L40-H79 WeakPolarHBondContact CD1-NE2 3.15Å; A41-H79 HydrophobicContact CB-CB 3.91Å; L75-H79 WeakPolarHBondContact CD1-CE1 3.33Å; L75-H79 WeakPolarHBondContact CD1-ND1 3.25Å; L75-H79 WeakPolarHBondContact O-CB 3.35Å; L75-H79 PolarHBondContact O-N 3.2Å; L75-H79 PolarHBondContact O-ND1 2.86Å; V76-H79 PolarHBondContact O-N 3.47Å; V77-H79 VanDerWaalsContact C-N 3.31Å; V77-H79 PolarHBondContact O-N 2.92Å; H79-M81 VanDerWaalsContact C-N 3.31Å; H79-M81 PolarHBondContact O-N 2.92Å; H79-A82 PolarHBondContact O-N 3.04Å; H79-V83 VanDerWaalsContact O-CG2 3.31Å; H79-V83 WeakPolarHBondContact O-CG2 3.32Å; H79-V83 PolarHBondContact O-N 3.24Å; H79-G128 VanDerWaalsContact CE1-C 3.45Å; H79-G128 WeakPolarHBondContact CE1-CA 3.42Å; H79-G128 PolarHBondContact CE1-O 3.35Å |
| 80 | I | 92.7 | Very high | 91.5 | Very high | 101 Ų | 101 | 47.9 Ų | 47.9 | 52% | 0.518 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 172.2 | -68.4 | 169.2 | 0 | 0 | 0 | 110 | V76 V77 A82 V83 M84 | V76-I80 HydrophobicContact CG1-CD1 3.67Å; V76-I80 HydrophobicContact CG1-CG1 4.34Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.4Å; V76-I80 PolarHBondContact O-N 3.24Å; V77-I80 PolarHBondContact O-N 2.78Å; I80-A82 VanDerWaalsContact C-N 3.35Å; I80-A82 PolarHBondContact O-N 3.3Å; I80-V83 PolarHBondContact O-N 3.28Å; I80-M84 WeakPolarHBondContact O-CB 3.39Å; I80-M84 PolarHBondContact O-N 3.26Å |
| 81 | M | 91.9 | Very high | 90.8 | Very high | 83 Ų | 83 | 48.6 Ų | 48.6 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 173.9 | -175.2 | 64 | 68 | 0 | 0 | 111.2 | V77 V78 H79 V83 M84 I85 | V77-M81 WeakPolarHBondContact O-CB 3.4Å; V77-M81 PolarHBondContact O-N 3.41Å; V78-M81 WeakPolarHBondContact O-CB 3.38Å; V78-M81 PolarHBondContact O-N 3.3Å; H79-M81 VanDerWaalsContact C-N 3.31Å; H79-M81 PolarHBondContact O-N 2.92Å; M81-V83 PolarHBondContact O-N 2.87Å; M81-M84 HydrophobicContact CE-CE 4.18Å; M81-M84 PolarHBondContact O-N 2.83Å; M81-M84 HydrophobicContact SD-CE 3.47Å; M81-M84 WeakPolarHBondContact SD-CE 3.41Å; M81-I85 HydrophobicContact CG-CD1 3.85Å; M81-I85 VanDerWaalsContact O-CG1 3.25Å; M81-I85 WeakPolarHBondContact O-CG1 3.23Å; M81-I85 PolarHBondContact O-N 3.28Å; M81-I85 HydrophobicContact SD-CD1 4.06Å; M81-I85 HydrophobicContact SD-CG1 4.31Å |
| 82 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V78 H79 I80 S86 W121 T125 | V78-A82 PolarHBondContact O-N 3.43Å; H79-A82 PolarHBondContact O-N 3.04Å; I80-A82 VanDerWaalsContact C-N 3.35Å; I80-A82 PolarHBondContact O-N 3.3Å; A82-S86 WeakPolarHBondContact O-CB 3.34Å; A82-S86 PolarHBondContact O-N 3.36Å; A82-S86 PolarHBondContact O-OG 2.84Å; A82-W121 VanDerWaalsContact O-CD1 3.29Å; A82-W121 PolarHBondContact O-NE1 3.24Å; A82-T125 HydrophobicContact CB-CG2 3.89Å |
| 83 | V | 91.6 | Very high | 89.1 | Confident | 44 Ų | 44 | 50 Ų | 50 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 175.9 | 172 | 0 | 0 | 0 | 0 | 111.3 | H79 I80 M81 S86 T87 | H79-V83 VanDerWaalsContact O-CG2 3.31Å; H79-V83 WeakPolarHBondContact O-CG2 3.32Å; H79-V83 PolarHBondContact O-N 3.24Å; I80-V83 PolarHBondContact O-N 3.28Å; M81-V83 PolarHBondContact O-N 2.87Å; V83-S86 WeakPolarHBondContact O-CB 3.44Å; V83-S86 PolarHBondContact O-N 2.98Å; V83-T87 WeakPolarHBondContact O-CB 3.22Å; V83-T87 PolarHBondContact O-N 3.37Å; V83-T87 PolarHBondContact O-OG1 3.09Å |
| 84 | M | 92.6 | Very high | 88.1 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 50% | 0.502 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 178.2 | -175.8 | 178.3 | 69.4 | 0 | 0 | 110.2 | I80 M81 S86 T87 C88 | I80-M84 WeakPolarHBondContact O-CB 3.39Å; I80-M84 PolarHBondContact O-N 3.26Å; M81-M84 HydrophobicContact CE-CE 4.18Å; M81-M84 PolarHBondContact O-N 2.83Å; M81-M84 HydrophobicContact SD-CE 3.47Å; M81-M84 WeakPolarHBondContact SD-CE 3.41Å; M84-S86 VanDerWaalsContact C-N 3.3Å; M84-S86 PolarHBondContact O-N 3.43Å; M84-T87 PolarHBondContact O-N 3.41Å; M84-T87 VanDerWaalsContact O-N 3.14Å; M84-C88 PolarHBondContact O-N 3.33Å; M84-C88 PolarHBondContact O-SG 2.9Å |
| 85 | I | 90.5 | Very high | 86.8 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.138 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 178 | -61.4 | 164.6 | 0 | 0 | 0 | 110.5 | M81 T87 C88 I89 V117 W121 | M81-I85 HydrophobicContact CG-CD1 3.85Å; M81-I85 VanDerWaalsContact O-CG1 3.25Å; M81-I85 WeakPolarHBondContact O-CG1 3.23Å; M81-I85 PolarHBondContact O-N 3.28Å; M81-I85 HydrophobicContact SD-CD1 4.06Å; M81-I85 HydrophobicContact SD-CG1 4.31Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 2.83Å; I85-C88 PolarHBondContact O-N 3.25Å; I85-I89 HydrophobicContact CG2-CD1 3.59Å; I85-I89 HydrophobicContact CG2-CG1 4.17Å; I85-I89 WeakPolarHBondContact O-CD1 3.44Å; I85-I89 WeakPolarHBondContact O-CG1 3.33Å; I85-I89 PolarHBondContact O-N 3.09Å; I85-V117 HydrophobicContact CG2-CG1 3.42Å; I85-V117 VanDerWaalsContact CG2-CG1 3.42Å; I85-W121 HydrophobicContact CB-CB 4.32Å; I85-W121 HydrophobicContact CG2-CB 3.69Å; I85-W121 HydrophobicContact CG2-CG 4.28Å |
| 86 | S | 90.2 | Very high | 85.1 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 176.6 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | A82 V83 M84 I89 L90 W121 | A82-S86 WeakPolarHBondContact O-CB 3.34Å; A82-S86 PolarHBondContact O-N 3.36Å; A82-S86 PolarHBondContact O-OG 2.84Å; V83-S86 WeakPolarHBondContact O-CB 3.44Å; V83-S86 PolarHBondContact O-N 2.98Å; M84-S86 VanDerWaalsContact C-N 3.3Å; M84-S86 PolarHBondContact O-N 3.43Å; S86-I89 PolarHBondContact O-N 3.41Å; S86-L90 PolarHBondContact O-N 3.25Å; S86-W121 PolarHBondContact OG-NE1 2.93Å |
| 87 | T | 88.5 | Confident | 83.3 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71 | -34.5 | -177.1 | -55.1 | 0 | 0 | 0 | 0 | 111 | V83 M84 I85 P91 | V83-T87 WeakPolarHBondContact O-CB 3.22Å; V83-T87 PolarHBondContact O-N 3.37Å; V83-T87 PolarHBondContact O-OG1 3.09Å; M84-T87 PolarHBondContact O-N 3.41Å; M84-T87 VanDerWaalsContact O-N 3.14Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 2.83Å; T87-P91 WeakPolarHBondContact O-CD 3.49Å |
| 88 | C | 86 | Confident | 81.4 | Confident | 89 Ų | 89 | 53 Ų | 53 | 60% | 0.601 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -74.4 | -31.3 | 175.8 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | M84 I85 | M84-C88 PolarHBondContact O-N 3.33Å; M84-C88 PolarHBondContact O-SG 2.9Å; I85-C88 PolarHBondContact O-N 3.25Å |
| 89 | I | 84.3 | Confident | 79.5 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.3 | -31.1 | 178.6 | -62.6 | 159.9 | 0 | 0 | 0 | 111.7 | L30 I85 S86 H92 I93 V117 | L30-I89 HydrophobicContact CD1-CB 3.95Å; L30-I89 HydrophobicContact CD1-CG2 3.54Å; L30-I89 HydrophobicContact CD2-CB 4.35Å; L30-I89 HydrophobicContact CD2-CD1 3.71Å; I85-I89 HydrophobicContact CG2-CD1 3.59Å; I85-I89 HydrophobicContact CG2-CG1 4.17Å; I85-I89 WeakPolarHBondContact O-CD1 3.44Å; I85-I89 WeakPolarHBondContact O-CG1 3.33Å; I85-I89 PolarHBondContact O-N 3.09Å; S86-I89 PolarHBondContact O-N 3.41Å; I89-H92 WeakPolarHBondContact O-CB 3.16Å; I89-H92 PolarHBondContact O-N 3.45Å; I89-H92 VanDerWaalsContact O-N 3.16Å; I89-I93 HydrophobicContact CG2-CD1 3.84Å; I89-I93 HydrophobicContact CG2-CG1 4.02Å; I89-I93 PolarHBondContact O-N 2.87Å; I89-I93 VanDerWaalsContact O-N 3.09Å; I89-V117 HydrophobicContact CD1-CG1 3.85Å; I89-V117 HydrophobicContact CG1-CG1 3.85Å |
| 90 | L | 82.4 | Confident | 77.5 | Confident | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.6 | -48.9 | -170.6 | -172.5 | 67.7 | 0 | 0 | 0 | 114.4 | R27 K31 S86 H92 I93 D94 | R27-L90 HydrophobicContact CG-CD1 3.86Å; K31-L90 HydrophobicContact CG-CD1 4.48Å; S86-L90 PolarHBondContact O-N 3.25Å; L90-H92 PolarHBondContact O-N 2.92Å; L90-I93 PolarHBondContact O-N 3.31Å; L90-D94 PolarHBondContact O-N 2.74Å |
| 91 | P | 80.3 | Confident | 75.6 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 56% | 0.558 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.9 | -36.4 | 178.1 | -20.3 | 31.9 | 0 | 0 | 0 | 111.6 | T87 I93 D94 S95 | T87-P91 WeakPolarHBondContact O-CD 3.49Å; P91-I93 VanDerWaalsContact C-N 3.28Å; P91-I93 PolarHBondContact O-N 3.34Å; P91-D94 PolarHBondContact O-N 2.89Å; P91-S95 PolarHBondContact O-N 3.25Å |
| 92 | H | 76 | Confident | 73.5 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 33% | 0.329 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.7 | -28.9 | 178.4 | -162.8 | -166.2 | 0 | 0 | 0 | 111 | I89 L90 S95 Y96 H110 R114 | I89-H92 WeakPolarHBondContact O-CB 3.16Å; I89-H92 PolarHBondContact O-N 3.45Å; I89-H92 VanDerWaalsContact O-N 3.16Å; L90-H92 PolarHBondContact O-N 2.92Å; H92-S95 PolarHBondContact O-OG 3.26Å; H92-Y96 AromaticContact CD2-CE2 3.72Å; H92-Y96 PolarHBondContact NE2-OH 2.87Å; H92-Y96 VanDerWaalsContact NE2-OH 3.1Å; H92-Y96 WeakPolarHBondContact O-CD2 3.49Å; H92-Y96 WeakPolarHBondContact O-CE2 3.47Å; H92-H110 AromaticContact CE1-CD2 3.14Å; H92-H110 PolarHBondContact CE1-CD2 2.96Å; H92-H110 AromaticContact CE1-NE2 3.99Å; H92-H110 AromaticContact NE2-CD2 3.22Å; H92-H110 PolarHBondContact NE2-CD2 3.19Å; H92-H110 AromaticContact NE2-CG 3.87Å; H92-H110 AromaticContact NE2-NE2 3.93Å; H92-R114 VanDerWaalsContact C-NH2 3.26Å; H92-R114 PolarHBondContact CD2-NH2 3.01Å; H92-R114 PolarHBondContact ND1-NH2 3.46Å; H92-R114 PolarHBondContact O-NH2 3.43Å |
| 93 | I | 74.8 | Confident | 71.6 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.2 | -35.4 | 175.1 | -64.7 | 169.9 | 0 | 0 | 0 | 111.2 | L23 R27 L30 I89 L90 P91 S95 Y96 | L23-I93 HydrophobicContact CB-CG2 4.14Å; L23-I93 HydrophobicContact CD2-CG2 4.11Å; R27-I93 HydrophobicContact CB-CD1 4.3Å; R27-I93 HydrophobicContact CB-CG2 4.16Å; L30-I93 HydrophobicContact CD1-CD1 3.27Å; I89-I93 HydrophobicContact CG2-CD1 3.84Å; I89-I93 HydrophobicContact CG2-CG1 4.02Å; I89-I93 PolarHBondContact O-N 2.87Å; I89-I93 VanDerWaalsContact O-N 3.09Å; L90-I93 PolarHBondContact O-N 3.31Å; P91-I93 VanDerWaalsContact C-N 3.28Å; P91-I93 PolarHBondContact O-N 3.34Å; I93-S95 VanDerWaalsContact C-N 3.34Å; I93-S95 PolarHBondContact O-N 2.71Å; I93-Y96 PolarHBondContact O-N 3.45Å |
| 94 | D | 71.2 | Confident | 69.6 | Low | 60 Ų | 60 | 78.8 Ų | 78.8 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.7 | -28.1 | -173.4 | -71.1 | -14.2 | 0 | 0 | 0 | 112.8 | R27 L90 P91 Y96 T97 | R27-D94 IonicContact CZ-OD1 3.35Å; R27-D94 IonicContact CZ-OD2 3.65Å; R27-D94 IonicContact NE-OD1 3.89Å; R27-D94 IonicContact NH1-OD1 2.63Å; R27-D94 PolarHBondContact NH1-OD1 3.3Å; R27-D94 IonicContact NH1-OD2 2.72Å; R27-D94 PolarHBondContact NH1-OD2 3.31Å; R27-D94 IonicContact NH2-OD2 3.9Å; L90-D94 PolarHBondContact O-N 2.74Å; P91-D94 PolarHBondContact O-N 2.89Å; D94-Y96 PolarHBondContact O-N 2.9Å; D94-T97 PolarHBondContact O-N 3.46Å; D94-T97 VanDerWaalsContact O-N 3.16Å; D94-T97 PolarHBondContact O-OG1 3.48Å |
| 95 | S | 67.6 | Low | 67.6 | Low | 59 Ų | 59 | 77.9 Ų | 77.9 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -62 | -23.2 | 177.6 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | P91 H92 I93 T97 | P91-S95 PolarHBondContact O-N 3.25Å; H92-S95 PolarHBondContact O-OG 3.26Å; I93-S95 VanDerWaalsContact C-N 3.34Å; I93-S95 PolarHBondContact O-N 2.71Å; S95-T97 VanDerWaalsContact C-N 3.32Å |
| 96 | Y | 59.4 | Low | 65.8 | Low | 58 Ų | 58 | 85.6 Ų | 85.6 | 23% | 0.227 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -84.3 | -5.7 | -179.9 | -62.3 | -83.9 | 0 | 0 | 0 | 113.8 | L23 H92 I93 D94 I105 H110 | L23-Y96 HydrophobicContact CD1-CG 4.42Å; H92-Y96 AromaticContact CD2-CE2 3.72Å; H92-Y96 PolarHBondContact NE2-OH 2.87Å; H92-Y96 VanDerWaalsContact NE2-OH 3.1Å; H92-Y96 WeakPolarHBondContact O-CD2 3.49Å; H92-Y96 WeakPolarHBondContact O-CE2 3.47Å; I93-Y96 PolarHBondContact O-N 3.45Å; D94-Y96 PolarHBondContact O-N 2.9Å; Y96-I105 HydrophobicContact CD1-CD1 4.49Å; Y96-H110 AromaticContact CE1-CE1 3.33Å; Y96-H110 WeakPolarHBondContact CE1-CE1 3.47Å; Y96-H110 AromaticContact CE1-ND1 3.81Å; Y96-H110 AromaticContact CE1-NE2 3.94Å; Y96-H110 AromaticContact CE2-CE1 3.94Å; Y96-H110 AromaticContact CE2-NE2 3.69Å; Y96-H110 AromaticContact CZ-CD2 3.84Å; Y96-H110 AromaticContact CZ-CE1 3.1Å; Y96-H110 AromaticContact CZ-ND1 3.62Å; Y96-H110 AromaticContact CZ-NE2 3.25Å; Y96-H110 VanDerWaalsContact CZ-NE2 3.25Å; Y96-H110 PolarHBondContact OH-CD2 3.43Å; Y96-H110 PolarHBondContact OH-CE1 2.85Å; Y96-H110 PolarHBondContact OH-ND1 3.09Å; Y96-H110 PolarHBondContact OH-NE2 3.34Å |
| 97 | T | 54.7 | Low | 63.9 | Low | 73 Ų | 73 | 94 Ų | 94 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -89.3 | -5.6 | -177.9 | 60 | 0 | 0 | 0 | 0 | 113.7 | D94 S95 P99 | D94-T97 PolarHBondContact O-N 3.46Å; D94-T97 VanDerWaalsContact O-N 3.16Å; D94-T97 PolarHBondContact O-OG1 3.48Å; S95-T97 VanDerWaalsContact C-N 3.32Å; T97-P99 VanDerWaalsContact O-CD 3.32Å; T97-P99 WeakPolarHBondContact O-CD 3.46Å |
| 98 | V | 56.2 | Low | 62.4 | Low | 75 Ų | 75 | 92 Ų | 92 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | trans | -68.9 | 118.3 | 173.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | Q100 | V98-Q100 HydrophobicContact CG1-CB 4.46Å; V98-Q100 PolarHBondContact O-N 3.49Å | ||
| 99 | P | 52.7 | Low | 61 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 74% | 0.74 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20 | -173.4 | -25.2 | 34 | 0 | 0 | 0 | 115 | T97 | T97-P99 VanDerWaalsContact O-CD 3.32Å; T97-P99 WeakPolarHBondContact O-CD 3.46Å |
| 100 | Q | 52.8 | Low | 60.2 | Low | 172 Ų | 172 | 94.2 Ų | 94.2 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -21.4 | -168.4 | -163.6 | 166.4 | -33.2 | 0 | 0 | 114.2 | V98 C102 | V98-Q100 HydrophobicContact CG1-CB 4.46Å; V98-Q100 PolarHBondContact O-N 3.49Å; Q100-C102 VanDerWaalsContact C-N 3.33Å; Q100-C102 PolarHBondContact O-N 2.85Å |
| 101 | D | 51.5 | Low | 59.5 | Low | 94 Ų | 94 | 96.5 Ų | 96.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -90.2 | 5.5 | -175.2 | -62.8 | -39.3 | 0 | 0 | 0 | 113.7 | Y103 L104 I105 | D101-Y103 PolarHBondContact O-N 3.3Å; D101-L104 PolarHBondContact O-N 3.46Å; D101-I105 WeakPolarHBondContact O-CG1 3.17Å |
| 102 | C | 48.7 | Very low | 59 | Low | 49 Ų | 49 | 97.8 Ų | 97.8 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -59.6 | -24.2 | -173 | -162.9 | 0 | 0 | 0 | 0 | 114.3 | Q100 | Q100-C102 VanDerWaalsContact C-N 3.33Å; Q100-C102 PolarHBondContact O-N 2.85Å |
| 103 | Y | 51.1 | Low | 58.9 | Low | 222 Ų | 222 | 99.8 Ų | 99.8 | 87% | 0.871 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -82.6 | -15.6 | -177.1 | -81.1 | -88.5 | 0 | 0 | 0 | 114.7 | D101 | D101-Y103 PolarHBondContact O-N 3.3Š|
| 104 | L | 50.6 | Low | 59 | Low | 152 Ų | 152 | 100.2 Ų | 100.2 | 80% | 0.796 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -98.3 | 6.2 | 176.1 | -64 | -172.3 | 0 | 0 | 0 | 113.4 | D101 E106 | D101-L104 PolarHBondContact O-N 3.46Å; L104-E106 VanDerWaalsContact C-N 3.3Å; L104-E106 PolarHBondContact O-N 2.78Å |
| 105 | I | 51.3 | Low | 59.1 | Low | 82 Ų | 82 | 100 Ų | 100 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13 | -170.9 | -62.9 | -174.9 | 0 | 0 | 0 | 113.1 | Y96 D101 E107 | Y96-I105 HydrophobicContact CD1-CD1 4.49Å; D101-I105 WeakPolarHBondContact O-CG1 3.17Å; I105-E107 PolarHBondContact O-N 3.44Å |
| 106 | E | 51.2 | Low | 59.8 | Low | 190 Ų | 190 | 100.7 Ų | 100.7 | 89% | 0.888 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20 | -169 | -148.1 | 175.2 | 139.2 | 0 | 0 | 115.1 | L104 | L104-E106 VanDerWaalsContact C-N 3.3Å; L104-E106 PolarHBondContact O-N 2.78Å |
| 107 | E | 50.5 | Low | 61 | Low | 179 Ų | 179 | 100.4 Ų | 100.4 | 84% | 0.836 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -132 | 5.4 | -171.2 | -71.7 | -170.9 | 150.9 | 0 | 0 | 116.7 | I105 P109 | I105-E107 PolarHBondContact O-N 3.44Å; E107-P109 WeakPolarHBondContact O-CD 3.34Å; E107-P109 VanDerWaalsContact O-N 3.1Å |
| 108 | A | 56.3 | Low | 62.4 | Low | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | trans | -68 | 115.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H110 N111 | A108-H110 HydrophobicContact CB-CB 4.31Å; A108-H110 PolarHBondContact O-N 2.93Å; A108-N111 PolarHBondContact O-N 3.1Å | ||
| 109 | P | 57.2 | Low | 63.7 | Low | 106 Ų | 106 | 96.3 Ų | 96.3 | 69% | 0.688 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -5.3 | 177.9 | 25.6 | -34.7 | 0 | 0 | 0 | 113.4 | E107 N111 R112 | E107-P109 WeakPolarHBondContact O-CD 3.34Å; E107-P109 VanDerWaalsContact O-N 3.1Å; P109-N111 VanDerWaalsContact C-N 3.29Å; P109-N111 PolarHBondContact O-N 3Å; P109-R112 PolarHBondContact O-N 2.73Å |
| 110 | H | 67.9 | Low | 65.2 | Low | 38 Ų | 38 | 93.1 Ų | 93.1 | 18% | 0.176 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -51.5 | -41.1 | 171 | 119.6 | -91.4 | 0 | 0 | 0 | 112.9 | H92 Y96 A108 R112 L113 R114 | H92-H110 AromaticContact CE1-CD2 3.14Å; H92-H110 PolarHBondContact CE1-CD2 2.96Å; H92-H110 AromaticContact CE1-NE2 3.99Å; H92-H110 AromaticContact NE2-CD2 3.22Å; H92-H110 PolarHBondContact NE2-CD2 3.19Å; H92-H110 AromaticContact NE2-CG 3.87Å; H92-H110 AromaticContact NE2-NE2 3.93Å; Y96-H110 AromaticContact CE1-CE1 3.33Å; Y96-H110 WeakPolarHBondContact CE1-CE1 3.47Å; Y96-H110 AromaticContact CE1-ND1 3.81Å; Y96-H110 AromaticContact CE1-NE2 3.94Å; Y96-H110 AromaticContact CE2-CE1 3.94Å; Y96-H110 AromaticContact CE2-NE2 3.69Å; Y96-H110 AromaticContact CZ-CD2 3.84Å; Y96-H110 AromaticContact CZ-CE1 3.1Å; Y96-H110 AromaticContact CZ-ND1 3.62Å; Y96-H110 AromaticContact CZ-NE2 3.25Å; Y96-H110 VanDerWaalsContact CZ-NE2 3.25Å; Y96-H110 PolarHBondContact OH-CD2 3.43Å; Y96-H110 PolarHBondContact OH-CE1 2.85Å; Y96-H110 PolarHBondContact OH-ND1 3.09Å; Y96-H110 PolarHBondContact OH-NE2 3.34Å; A108-H110 HydrophobicContact CB-CB 4.31Å; A108-H110 PolarHBondContact O-N 2.93Å; H110-R112 VanDerWaalsContact C-N 3.29Å; H110-R112 PolarHBondContact O-N 2.9Å; H110-L113 PolarHBondContact O-N 2.85Å; H110-L113 VanDerWaalsContact O-N 3.14Å; H110-R114 PolarHBondContact NE2-NE 3.1Å; H110-R114 PolarHBondContact NE2-NH2 2.87Å; H110-R114 PolarHBondContact O-N 3.36Å |
| 111 | N | 67.3 | Low | 66.8 | Low | 94 Ų | 94 | 85.1 Ų | 85.1 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | -170.9 | -174 | 47 | 0 | 0 | 0 | 110.3 | A108 P109 L113 R114 T115 | A108-N111 PolarHBondContact O-N 3.1Å; P109-N111 VanDerWaalsContact C-N 3.29Å; P109-N111 PolarHBondContact O-N 3Å; N111-L113 PolarHBondContact O-N 3.36Å; N111-R114 PolarHBondContact O-N 3.45Å; N111-T115 PolarHBondContact O-N 3.47Å; N111-T115 PolarHBondContact O-OG1 3.4Å |
| 112 | R | 69.9 | Low | 68.5 | Low | 114 Ų | 114 | 83.7 Ų | 83.7 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.2 | -163.5 | 177 | 69 | -170.2 | -2.8 | 111.5 | P109 H110 T115 F116 R184 | P109-R112 PolarHBondContact O-N 2.73Å; H110-R112 VanDerWaalsContact C-N 3.29Å; H110-R112 PolarHBondContact O-N 2.9Å; R112-T115 PolarHBondContact O-N 3.06Å; R112-F116 HydrophobicContact CG-CD2 4.25Å; R112-F116 HydrophobicContact CG-CE2 3.78Å; R112-F116 WeakPolarHBondContact O-CD2 3.43Å; R112-F116 PolarHBondContact O-N 2.88Å; R112-R184 VanDerWaalsContact CG-NH1 3.35Å |
| 113 | L | 73.4 | Confident | 70.2 | Confident | 112 Ų | 112 | 83 Ų | 83 | 59% | 0.586 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.8 | -45.7 | 176.2 | -179.7 | 61.3 | 0 | 0 | 0 | 111.1 | H110 N111 T115 F116 V117 | H110-L113 PolarHBondContact O-N 2.85Å; H110-L113 VanDerWaalsContact O-N 3.14Å; N111-L113 PolarHBondContact O-N 3.36Å; L113-T115 PolarHBondContact O-N 3.44Å; L113-F116 WeakPolarHBondContact O-CB 3.37Å; L113-F116 PolarHBondContact O-N 3.28Å; L113-V117 HydrophobicContact CD1-CG2 4.41Å; L113-V117 WeakPolarHBondContact O-CG2 3.35Å; L113-V117 PolarHBondContact O-N 2.93Å |
| 114 | R | 77.2 | Confident | 72 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 5% | 0.049 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.5 | -49.8 | 176.5 | 177 | -170.3 | -63.6 | -84.5 | 3.7 | 111.7 | H92 H110 N111 F116 V117 E118 | H92-R114 VanDerWaalsContact C-NH2 3.26Å; H92-R114 PolarHBondContact CD2-NH2 3.01Å; H92-R114 PolarHBondContact ND1-NH2 3.46Å; H92-R114 PolarHBondContact O-NH2 3.43Å; H110-R114 PolarHBondContact NE2-NE 3.1Å; H110-R114 PolarHBondContact NE2-NH2 2.87Å; H110-R114 PolarHBondContact O-N 3.36Å; N111-R114 PolarHBondContact O-N 3.45Å; R114-F116 VanDerWaalsContact C-N 3.26Å; R114-F116 PolarHBondContact O-N 2.92Å; R114-V117 PolarHBondContact O-N 3.46Å; R114-V117 VanDerWaalsContact O-N 3.12Å; R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 PolarHBondContact O-N 2.88Å |
| 115 | T | 74.5 | Confident | 73.9 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | -179.8 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | N111 R112 L113 E118 V119 | N111-T115 PolarHBondContact O-N 3.47Å; N111-T115 PolarHBondContact O-OG1 3.4Å; R112-T115 PolarHBondContact O-N 3.06Å; L113-T115 PolarHBondContact O-N 3.44Å; T115-E118 PolarHBondContact O-N 3.33Å; T115-V119 HydrophobicContact CG2-CG2 4.38Å; T115-V119 WeakPolarHBondContact O-CB 3.37Å; T115-V119 WeakPolarHBondContact O-CG2 3.4Å; T115-V119 PolarHBondContact O-N 2.78Å |
| 116 | F | 81.1 | Confident | 75.7 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.6 | -74.8 | -63.9 | 0 | 0 | 0 | 113 | R112 L113 R114 V119 A120 Y180 | R112-F116 HydrophobicContact CG-CD2 4.25Å; R112-F116 HydrophobicContact CG-CE2 3.78Å; R112-F116 WeakPolarHBondContact O-CD2 3.43Å; R112-F116 PolarHBondContact O-N 2.88Å; L113-F116 WeakPolarHBondContact O-CB 3.37Å; L113-F116 PolarHBondContact O-N 3.28Å; R114-F116 VanDerWaalsContact C-N 3.26Å; R114-F116 PolarHBondContact O-N 2.92Å; F116-V119 PolarHBondContact O-N 2.8Å; F116-A120 WeakPolarHBondContact O-CB 2.98Å; F116-A120 PolarHBondContact O-N 3.39Å; F116-Y180 HydrophobicContact CD1-CE1 4.47Å; F116-Y180 HydrophobicContact CE1-CD1 4.31Å; F116-Y180 AromaticContact CE1-CE1 3.69Å; F116-Y180 HydrophobicContact CE1-CE1 3.69Å; F116-Y180 HydrophobicContact CZ-CE1 4.29Å |
| 117 | V | 84.5 | Confident | 77.5 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | I85 I89 L113 R114 A120 W121 | I85-V117 HydrophobicContact CG2-CG1 3.42Å; I85-V117 VanDerWaalsContact CG2-CG1 3.42Å; I89-V117 HydrophobicContact CD1-CG1 3.85Å; I89-V117 HydrophobicContact CG1-CG1 3.85Å; L113-V117 HydrophobicContact CD1-CG2 4.41Å; L113-V117 WeakPolarHBondContact O-CG2 3.35Å; L113-V117 PolarHBondContact O-N 2.93Å; R114-V117 PolarHBondContact O-N 3.46Å; R114-V117 VanDerWaalsContact O-N 3.12Å; V117-A120 PolarHBondContact O-N 2.9Å; V117-W121 VanDerWaalsContact O-CB 3.26Å; V117-W121 WeakPolarHBondContact O-CB 3.23Å; V117-W121 PolarHBondContact O-N 2.96Å |
| 118 | E | 84.5 | Confident | 79.4 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.5 | -173.4 | 169.3 | -171.8 | 0 | 0 | 111.6 | S26 R114 T115 W121 I122 | S26-E118 WeakPolarHBondContact CB-OE1 3.33Å; S26-E118 PolarHBondContact OG-OE1 2.91Å; S26-E118 PolarHBondContact OG-OE2 3.09Å; R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 PolarHBondContact O-N 2.88Å; T115-E118 PolarHBondContact O-N 3.33Å; E118-W121 HydrophobicContact CG-CE3 3.93Å; E118-W121 HydrophobicContact CG-CZ3 4.12Å; E118-W121 WeakPolarHBondContact O-CB 3.22Å; E118-W121 PolarHBondContact O-N 3.46Å; E118-I122 HydrophobicContact CG-CD1 4.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.5Å; E118-I122 PolarHBondContact O-N 2.93Å |
| 119 | V | 82.8 | Confident | 81.1 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | T115 F116 W121 I122 C123 F173 L177 | T115-V119 HydrophobicContact CG2-CG2 4.38Å; T115-V119 WeakPolarHBondContact O-CB 3.37Å; T115-V119 WeakPolarHBondContact O-CG2 3.4Å; T115-V119 PolarHBondContact O-N 2.78Å; F116-V119 PolarHBondContact O-N 2.8Å; V119-W121 VanDerWaalsContact C-N 3.28Å; V119-W121 PolarHBondContact O-N 3.44Å; V119-I122 PolarHBondContact O-N 3.45Å; V119-C123 WeakPolarHBondContact O-CB 3.29Å; V119-C123 PolarHBondContact O-N 3.26Å; V119-F173 HydrophobicContact CG1-CE2 4.13Å; V119-F173 HydrophobicContact CG1-CZ 3.59Å; V119-L177 HydrophobicContact CG1-CD2 3.55Å; V119-L177 HydrophobicContact CG1-CG 4.3Å |
| 120 | A | 84.5 | Confident | 82.8 | Confident | 47 Ų | 47 | 47 Ų | 47 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F116 V117 C123 S124 | F116-A120 WeakPolarHBondContact O-CB 2.98Å; F116-A120 PolarHBondContact O-N 3.39Å; V117-A120 PolarHBondContact O-N 2.9Å; A120-C123 VanDerWaalsContact O-CB 3.28Å; A120-C123 WeakPolarHBondContact O-CB 3.33Å; A120-C123 PolarHBondContact O-N 3.34Å; A120-S124 PolarHBondContact O-N 2.8Å; A120-S124 PolarHBondContact O-OG 2.66Å |
| 121 | W | 86.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -47.9 | 174.3 | 163.4 | 70.3 | 0 | 0 | 0 | 112.7 | K29 L30 T33 A82 I85 S86 V117 E118 V119 C123 S124 T125 | K29-W121 HydrophobicContact CB-CH2 3.93Å; L30-W121 HydrophobicContact CB-CH2 4.43Å; L30-W121 HydrophobicContact CB-CZ2 4.35Å; L30-W121 HydrophobicContact CD2-CD2 3.73Å; L30-W121 HydrophobicContact CD2-CE3 3.82Å; L30-W121 HydrophobicContact CD2-CG 4.43Å; L30-W121 HydrophobicContact CD2-CH2 3.63Å; L30-W121 HydrophobicContact CD2-CZ2 3.45Å; L30-W121 VanDerWaalsContact CD2-CZ2 3.45Å; L30-W121 HydrophobicContact CD2-CZ3 3.82Å; L30-W121 HydrophobicContact CG-CH2 3.87Å; L30-W121 HydrophobicContact CG-CZ2 4.02Å; L30-W121 HydrophobicContact CG-CZ3 4.22Å; T33-W121 HydrophobicContact CG2-CH2 4.47Å; T33-W121 HydrophobicContact CG2-CZ2 3.45Å; T33-W121 VanDerWaalsContact CG2-CZ2 3.45Å; T33-W121 WeakPolarHBondContact OG1-CZ2 3.41Å; A82-W121 VanDerWaalsContact O-CD1 3.29Å; A82-W121 PolarHBondContact O-NE1 3.24Å; I85-W121 HydrophobicContact CB-CB 4.32Å; I85-W121 HydrophobicContact CG2-CB 3.69Å; I85-W121 HydrophobicContact CG2-CG 4.28Å; S86-W121 PolarHBondContact OG-NE1 2.93Å; V117-W121 VanDerWaalsContact O-CB 3.26Å; V117-W121 WeakPolarHBondContact O-CB 3.23Å; V117-W121 PolarHBondContact O-N 2.96Å; E118-W121 HydrophobicContact CG-CE3 3.93Å; E118-W121 HydrophobicContact CG-CZ3 4.12Å; E118-W121 WeakPolarHBondContact O-CB 3.22Å; E118-W121 PolarHBondContact O-N 3.46Å; V119-W121 VanDerWaalsContact C-N 3.28Å; V119-W121 PolarHBondContact O-N 3.44Å; W121-C123 VanDerWaalsContact C-N 3.28Å; W121-C123 PolarHBondContact O-N 3.44Å; W121-S124 WeakPolarHBondContact O-CB 3.27Å; W121-S124 PolarHBondContact O-N 3.4Å; W121-T125 WeakPolarHBondContact O-CG2 3.42Å; W121-T125 PolarHBondContact O-N 2.85Å; W121-T125 VanDerWaalsContact O-N 3.09Å |
| 122 | I | 86.8 | Confident | 85.2 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 174.9 | -64 | 166 | 0 | 0 | 0 | 110.4 | E118 V119 S124 T125 V126 | E118-I122 HydrophobicContact CG-CD1 4.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.5Å; E118-I122 PolarHBondContact O-N 2.93Å; V119-I122 PolarHBondContact O-N 3.45Å; I122-S124 VanDerWaalsContact C-N 3.26Å; I122-S124 PolarHBondContact O-N 3.33Å; I122-T125 PolarHBondContact O-N 3.49Å; I122-T125 PolarHBondContact O-OG1 2.81Å; I122-V126 HydrophobicContact CG2-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CG2 3.17Å; I122-V126 PolarHBondContact O-N 3.3Å |
| 123 | C | 85 | Confident | 86.3 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.8 | -46.8 | 172.8 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | V119 A120 W121 T125 V126 V127 F173 | V119-C123 WeakPolarHBondContact O-CB 3.29Å; V119-C123 PolarHBondContact O-N 3.26Å; A120-C123 VanDerWaalsContact O-CB 3.28Å; A120-C123 WeakPolarHBondContact O-CB 3.33Å; A120-C123 PolarHBondContact O-N 3.34Å; W121-C123 VanDerWaalsContact C-N 3.28Å; W121-C123 PolarHBondContact O-N 3.44Å; C123-T125 VanDerWaalsContact C-N 3.27Å; C123-T125 PolarHBondContact O-N 3.44Å; C123-V126 PolarHBondContact O-N 3.34Å; C123-V127 WeakPolarHBondContact O-CB 3.3Å; C123-V127 WeakPolarHBondContact O-CG2 3.26Å; C123-V127 PolarHBondContact O-N 3.44Å; C123-F173 HydrophobicContact CB-CD1 4.32Å; C123-F173 HydrophobicContact CB-CE1 3.4Å; C123-F173 HydrophobicContact CB-CZ 4.03Å; C123-F173 VanDerWaalsContact SG-CE1 3.52Å |
| 124 | S | 89.1 | Confident | 87.2 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | -176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | V78 A120 W121 I122 G128 | V78-S124 WeakPolarHBondContact CG1-O 3.28Å; A120-S124 PolarHBondContact O-N 2.8Å; A120-S124 PolarHBondContact O-OG 2.66Å; W121-S124 WeakPolarHBondContact O-CB 3.27Å; W121-S124 PolarHBondContact O-N 3.4Å; I122-S124 VanDerWaalsContact C-N 3.26Å; I122-S124 PolarHBondContact O-N 3.33Å; S124-G128 PolarHBondContact O-N 3.46Å |
| 125 | T | 90.5 | Very high | 88 | Confident | 23 Ų | 23 | 34.7 Ų | 34.7 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.4 | -39.4 | 178.3 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | T33 A82 W121 I122 C123 G128 I129 | T33-T125 HydrophobicContact CG2-CG2 3.23Å; A82-T125 HydrophobicContact CB-CG2 3.89Å; W121-T125 WeakPolarHBondContact O-CG2 3.42Å; W121-T125 PolarHBondContact O-N 2.85Å; W121-T125 VanDerWaalsContact O-N 3.09Å; I122-T125 PolarHBondContact O-N 3.49Å; I122-T125 PolarHBondContact O-OG1 2.81Å; C123-T125 VanDerWaalsContact C-N 3.27Å; C123-T125 PolarHBondContact O-N 3.44Å; T125-G128 PolarHBondContact O-N 2.8Å; T125-I129 VanDerWaalsContact O-CG1 3.24Å; T125-I129 WeakPolarHBondContact O-CG1 3.32Å; T125-I129 PolarHBondContact O-N 2.79Å |
| 126 | V | 88.7 | Confident | 88.8 | Confident | 33 Ų | 33 | 33.9 Ų | 33.9 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | I122 C123 G128 I129 I130 A170 | I122-V126 HydrophobicContact CG2-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CG2 3.17Å; I122-V126 PolarHBondContact O-N 3.3Å; C123-V126 PolarHBondContact O-N 3.34Å; V126-G128 VanDerWaalsContact C-N 3.29Å; V126-G128 PolarHBondContact O-N 2.9Å; V126-I129 PolarHBondContact O-N 2.78Å; V126-I130 HydrophobicContact CG1-CD1 4.3Å; V126-I130 WeakPolarHBondContact O-CG1 3.35Å; V126-I130 PolarHBondContact O-N 3.31Å; V126-I130 VanDerWaalsContact O-N 3.07Å; V126-A170 HydrophobicContact CG1-CB 4.27Å |
| 127 | V | 88.3 | Confident | 89.3 | Confident | 56 Ų | 56 | 31.3 Ų | 31.3 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | C123 I129 I130 L131 | C123-V127 WeakPolarHBondContact O-CB 3.3Å; C123-V127 WeakPolarHBondContact O-CG2 3.26Å; C123-V127 PolarHBondContact O-N 3.44Å; V127-I129 PolarHBondContact O-N 2.95Å; V127-I130 PolarHBondContact O-N 2.88Å; V127-L131 HydrophobicContact CG1-CD1 3.74Å; V127-L131 WeakPolarHBondContact O-CB 3.4Å; V127-L131 WeakPolarHBondContact O-CD1 3.45Å; V127-L131 PolarHBondContact O-N 3.49Å |
| 128 | G | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L75 H79 S124 T125 V126 I130 L131 F132 | L75-G128 WeakPolarHBondContact CD1-O 3.4Å; H79-G128 VanDerWaalsContact CE1-C 3.45Å; H79-G128 WeakPolarHBondContact CE1-CA 3.42Å; H79-G128 PolarHBondContact CE1-O 3.35Å; S124-G128 PolarHBondContact O-N 3.46Å; T125-G128 PolarHBondContact O-N 2.8Å; V126-G128 VanDerWaalsContact C-N 3.29Å; V126-G128 PolarHBondContact O-N 2.9Å; G128-I130 VanDerWaalsContact C-N 3.34Å; G128-I130 PolarHBondContact O-N 3.47Å; G128-L131 WeakPolarHBondContact O-CB 3.31Å; G128-L131 PolarHBondContact O-N 3.16Å; G128-F132 WeakPolarHBondContact O-CB 3.44Å; G128-F132 PolarHBondContact O-N 2.91Å |
| 129 | I | 91.7 | Very high | 89.8 | Confident | 58 Ų | 58 | 30.2 Ų | 30.2 | 30% | 0.297 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.9 | -69.2 | 162.2 | 0 | 0 | 0 | 110.8 | T125 V126 V127 F132 L133 F166 | T125-I129 VanDerWaalsContact O-CG1 3.24Å; T125-I129 WeakPolarHBondContact O-CG1 3.32Å; T125-I129 PolarHBondContact O-N 2.79Å; V126-I129 PolarHBondContact O-N 2.78Å; V127-I129 PolarHBondContact O-N 2.95Å; I129-F132 WeakPolarHBondContact O-CB 3.36Å; I129-F132 PolarHBondContact O-N 3.27Å; I129-L133 HydrophobicContact CG2-CD1 4.47Å; I129-L133 WeakPolarHBondContact O-CG 3.43Å; I129-L133 PolarHBondContact O-N 3.41Å; I129-F166 HydrophobicContact CG2-CD1 4.24Å; I129-F166 HydrophobicContact CG2-CD2 4.39Å; I129-F166 HydrophobicContact CG2-CE1 3.97Å; I129-F166 HydrophobicContact CG2-CE2 4.16Å; I129-F166 HydrophobicContact CG2-CG 4.46Å; I129-F166 HydrophobicContact CG2-CZ 3.94Å |
| 130 | I | 91.4 | Very high | 90.1 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.1 | -67.5 | 166.5 | 0 | 0 | 0 | 110.7 | V126 V127 G128 F132 L133 A134 M163 F166 V167 A170 | V126-I130 HydrophobicContact CG1-CD1 4.3Å; V126-I130 WeakPolarHBondContact O-CG1 3.35Å; V126-I130 PolarHBondContact O-N 3.31Å; V126-I130 VanDerWaalsContact O-N 3.07Å; V127-I130 PolarHBondContact O-N 2.88Å; G128-I130 VanDerWaalsContact C-N 3.34Å; G128-I130 PolarHBondContact O-N 3.47Å; I130-F132 VanDerWaalsContact C-N 3.27Å; I130-F132 PolarHBondContact O-N 3.5Å; I130-L133 PolarHBondContact O-N 3.37Å; I130-A134 WeakPolarHBondContact O-CB 3.44Å; I130-A134 PolarHBondContact O-N 3.03Å; I130-M163 HydrophobicContact CG2-CE 3.84Å; I130-M163 HydrophobicContact CG2-SD 4.18Å; I130-F166 HydrophobicContact CD1-CB 4.13Å; I130-F166 HydrophobicContact CG1-CB 3.58Å; I130-F166 HydrophobicContact CG1-CG 4.5Å; I130-V167 HydrophobicContact CG2-CG2 4.36Å; I130-A170 HydrophobicContact CD1-CB 3.51Å |
| 131 | L | 92.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -39.7 | 175 | -81.2 | 152.6 | 0 | 0 | 0 | 111.4 | L71 L74 L75 V78 V127 G128 A134 V135 | L71-L131 HydrophobicContact CB-CD2 4.43Å; L71-L131 HydrophobicContact CD2-CD2 3.84Å; L74-L131 HydrophobicContact CB-CD2 3.95Å; L75-L131 HydrophobicContact CB-CB 4.06Å; L75-L131 HydrophobicContact CD1-CB 3.83Å; V78-L131 HydrophobicContact CB-CD1 4.3Å; V78-L131 HydrophobicContact CG2-CD1 3.89Å; V127-L131 HydrophobicContact CG1-CD1 3.74Å; V127-L131 WeakPolarHBondContact O-CB 3.4Å; V127-L131 WeakPolarHBondContact O-CD1 3.45Å; V127-L131 PolarHBondContact O-N 3.49Å; G128-L131 WeakPolarHBondContact O-CB 3.31Å; G128-L131 PolarHBondContact O-N 3.16Å; L131-A134 PolarHBondContact O-N 2.92Å; L131-V135 WeakPolarHBondContact O-CB 3.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.28Å; L131-V135 PolarHBondContact O-N 2.89Å |
| 132 | F | 94.1 | Very high | 90.2 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 179.8 | -177.8 | -98 | 0 | 0 | 0 | 111.3 | L40 F43 L75 G128 I129 I130 A134 V135 V136 | L40-F132 HydrophobicContact CB-CD2 4.26Å; L40-F132 HydrophobicContact CD2-CD1 4.04Å; L40-F132 HydrophobicContact CD2-CD2 3.81Å; L40-F132 HydrophobicContact CD2-CE1 3.89Å; L40-F132 HydrophobicContact CD2-CE2 3.68Å; L40-F132 HydrophobicContact CD2-CG 4.01Å; L40-F132 HydrophobicContact CD2-CZ 3.73Å; F43-F132 HydrophobicContact CB-CE2 4.35Å; L75-F132 HydrophobicContact CD1-CB 3.8Å; L75-F132 HydrophobicContact CD2-CB 4.26Å; L75-F132 HydrophobicContact CD2-CD2 3.95Å; G128-F132 WeakPolarHBondContact O-CB 3.44Å; G128-F132 PolarHBondContact O-N 2.91Å; I129-F132 WeakPolarHBondContact O-CB 3.36Å; I129-F132 PolarHBondContact O-N 3.27Å; I130-F132 VanDerWaalsContact C-N 3.27Å; I130-F132 PolarHBondContact O-N 3.5Å; F132-A134 VanDerWaalsContact C-N 3.32Å; F132-A134 PolarHBondContact O-N 3.43Å; F132-V135 PolarHBondContact O-N 3.45Å; F132-V136 HydrophobicContact CD1-CG2 4.16Å; F132-V136 HydrophobicContact CE1-CG2 3.77Å; F132-V136 HydrophobicContact CE2-CG2 4.32Å; F132-V136 HydrophobicContact CZ-CG2 3.85Å; F132-V136 WeakPolarHBondContact O-CB 3.41Å; F132-V136 WeakPolarHBondContact O-CG2 3.37Å; F132-V136 PolarHBondContact O-N 2.72Å |
| 133 | L | 93.4 | Very high | 90.1 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 176 | -71.2 | 175.4 | 0 | 0 | 0 | 112 | I129 I130 T137 L159 A162 M163 F166 | I129-L133 HydrophobicContact CG2-CD1 4.47Å; I129-L133 WeakPolarHBondContact O-CG 3.43Å; I129-L133 PolarHBondContact O-N 3.41Å; I130-L133 PolarHBondContact O-N 3.37Å; L133-T137 WeakPolarHBondContact O-CB 3.26Å; L133-T137 PolarHBondContact O-N 3.41Å; L133-T137 PolarHBondContact O-OG1 2.9Å; L133-L159 HydrophobicContact CD2-CD2 4.07Å; L133-A162 HydrophobicContact CD1-CB 4.21Å; L133-M163 HydrophobicContact CB-CG 3.9Å; L133-M163 HydrophobicContact CB-SD 3.27Å; L133-M163 WeakPolarHBondContact CB-SD 3.21Å; L133-M163 HydrophobicContact CD1-CG 4.34Å; L133-M163 HydrophobicContact CD1-SD 3.98Å; L133-M163 HydrophobicContact CG-SD 4.28Å; L133-F166 HydrophobicContact CD1-CD2 3.39Å; L133-F166 HydrophobicContact CD1-CE2 3.67Å; L133-F166 HydrophobicContact CD1-CG 4.43Å |
| 134 | A | 92.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L71 I130 L131 F132 T137 L138 M163 | L71-A134 HydrophobicContact CD1-CB 3.92Å; I130-A134 WeakPolarHBondContact O-CB 3.44Å; I130-A134 PolarHBondContact O-N 3.03Å; L131-A134 PolarHBondContact O-N 2.92Å; F132-A134 VanDerWaalsContact C-N 3.32Å; F132-A134 PolarHBondContact O-N 3.43Å; A134-T137 WeakPolarHBondContact O-CB 3.37Å; A134-T137 PolarHBondContact O-N 2.99Å; A134-L138 WeakPolarHBondContact O-CG 3.31Å; A134-L138 PolarHBondContact O-N 3.4Å; A134-M163 HydrophobicContact CB-CE 3.85Å |
| 135 | V | 93 | Very high | 89.7 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.7 | 166.6 | 0 | 0 | 0 | 0 | 111 | F68 L71 S72 L75 L131 F132 T137 L138 A139 | F68-V135 HydrophobicContact CE2-CG1 3.94Å; L71-V135 HydrophobicContact CB-CG2 3.74Å; S72-V135 WeakPolarHBondContact OG-CG1 3.36Å; L75-V135 HydrophobicContact CB-CG2 4.39Å; L75-V135 HydrophobicContact CD2-CB 4.1Å; L75-V135 HydrophobicContact CD2-CG1 4.28Å; L75-V135 HydrophobicContact CD2-CG2 3.9Å; L131-V135 WeakPolarHBondContact O-CB 3.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.28Å; L131-V135 PolarHBondContact O-N 2.89Å; F132-V135 PolarHBondContact O-N 3.45Å; V135-T137 VanDerWaalsContact C-N 3.33Å; V135-T137 PolarHBondContact O-N 3.49Å; V135-L138 PolarHBondContact O-N 2.9Å; V135-A139 VanDerWaalsContact O-CB 3.32Å; V135-A139 WeakPolarHBondContact O-CB 3.49Å; V135-A139 PolarHBondContact O-N 2.99Å |
| 136 | V | 92 | Very high | 88.8 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.5 | 169.2 | 0 | 0 | 0 | 0 | 111 | F132 A139 F140 L159 | F132-V136 HydrophobicContact CD1-CG2 4.16Å; F132-V136 HydrophobicContact CE1-CG2 3.77Å; F132-V136 HydrophobicContact CE2-CG2 4.32Å; F132-V136 HydrophobicContact CZ-CG2 3.85Å; F132-V136 WeakPolarHBondContact O-CB 3.41Å; F132-V136 WeakPolarHBondContact O-CG2 3.37Å; F132-V136 PolarHBondContact O-N 2.72Å; V136-A139 PolarHBondContact O-N 2.63Å; V136-F140 HydrophobicContact CG1-CD2 4.03Å; V136-F140 HydrophobicContact CG1-CE2 3.41Å; V136-F140 VanDerWaalsContact CG1-CE2 3.41Å; V136-F140 HydrophobicContact CG1-CZ 4.01Å; V136-F140 WeakPolarHBondContact O-CD2 3.45Å; V136-F140 PolarHBondContact O-N 2.93Å; V136-F140 VanDerWaalsContact O-N 3.13Å; V136-L159 HydrophobicContact CG1-CD1 4.09Å |
| 137 | T | 91.4 | Very high | 88.2 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -54.8 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | L133 A134 V135 A139 F140 W141 T156 L159 | L133-T137 WeakPolarHBondContact O-CB 3.26Å; L133-T137 PolarHBondContact O-N 3.41Å; L133-T137 PolarHBondContact O-OG1 2.9Å; A134-T137 WeakPolarHBondContact O-CB 3.37Å; A134-T137 PolarHBondContact O-N 2.99Å; V135-T137 VanDerWaalsContact C-N 3.33Å; V135-T137 PolarHBondContact O-N 3.49Å; T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 2.99Å; T137-F140 PolarHBondContact O-N 3.21Å; T137-F140 VanDerWaalsContact O-N 3.13Å; T137-W141 VanDerWaalsContact O-CD1 3.23Å; T137-W141 PolarHBondContact O-N 2.87Å; T137-W141 VanDerWaalsContact O-N 3.1Å; T137-T156 HydrophobicContact CG2-CG2 4.05Å; T137-L159 VanDerWaalsContact OG1-CD1 3.23Å; T137-L159 WeakPolarHBondContact OG1-CD1 3.25Å |
| 138 | L | 90.4 | Very high | 87.7 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -36.9 | 178.9 | -72 | -176.4 | 0 | 0 | 0 | 112.8 | L64 A67 F68 L71 A134 V135 F140 W141 V142 | L64-L138 HydrophobicContact CD1-CD2 3.78Å; L64-L138 HydrophobicContact CG-CD2 4.41Å; A67-L138 HydrophobicContact CB-CD1 4.18Å; F68-L138 HydrophobicContact CB-CB 4.26Å; F68-L138 HydrophobicContact CB-CD1 4.25Å; F68-L138 HydrophobicContact CD2-CB 4.01Å; L71-L138 HydrophobicContact CD1-CD1 3.54Å; L71-L138 HydrophobicContact CG-CD1 4.37Å; A134-L138 WeakPolarHBondContact O-CG 3.31Å; A134-L138 PolarHBondContact O-N 3.4Å; V135-L138 PolarHBondContact O-N 2.9Å; L138-F140 VanDerWaalsContact C-N 3.32Å; L138-F140 PolarHBondContact O-N 3.39Å; L138-W141 WeakPolarHBondContact O-CB 3.34Å; L138-W141 PolarHBondContact O-N 3.12Å; L138-W141 VanDerWaalsContact O-N 3.15Å; L138-V142 WeakPolarHBondContact O-CG2 3.34Å; L138-V142 PolarHBondContact O-N 3.06Å |
| 139 | A | 88.6 | Confident | 87.1 | Confident | 20 Ų | 20 | 52 Ų | 52 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F68 V135 V136 T137 V142 K143 | F68-A139 HydrophobicContact CE2-CB 3.97Å; V135-A139 VanDerWaalsContact O-CB 3.32Å; V135-A139 WeakPolarHBondContact O-CB 3.49Å; V135-A139 PolarHBondContact O-N 2.99Å; V136-A139 PolarHBondContact O-N 2.63Å; T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 2.99Å; A139-V142 PolarHBondContact O-N 3.31Å; A139-K143 WeakPolarHBondContact O-CB 3.18Å; A139-K143 PolarHBondContact O-N 3.45Å |
| 140 | F | 88.5 | Confident | 86.9 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 174.2 | -65.3 | -47.2 | 0 | 0 | 0 | 112.4 | V136 T137 L138 K143 F144 A155 L159 | V136-F140 HydrophobicContact CG1-CD2 4.03Å; V136-F140 HydrophobicContact CG1-CE2 3.41Å; V136-F140 VanDerWaalsContact CG1-CE2 3.41Å; V136-F140 HydrophobicContact CG1-CZ 4.01Å; V136-F140 WeakPolarHBondContact O-CD2 3.45Å; V136-F140 PolarHBondContact O-N 2.93Å; V136-F140 VanDerWaalsContact O-N 3.13Å; T137-F140 PolarHBondContact O-N 3.21Å; T137-F140 VanDerWaalsContact O-N 3.13Å; L138-F140 VanDerWaalsContact C-N 3.32Å; L138-F140 PolarHBondContact O-N 3.39Å; F140-K143 PolarHBondContact O-N 3.44Å; F140-F144 HydrophobicContact CB-CD2 4.32Å; F140-F144 HydrophobicContact CD1-CD2 4.46Å; F140-F144 HydrophobicContact CD1-CE2 4.07Å; F140-F144 WeakPolarHBondContact O-CB 3.37Å; F140-F144 WeakPolarHBondContact O-CD2 3.28Å; F140-F144 PolarHBondContact O-N 3Å; F140-A155 HydrophobicContact CB-CB 4.27Å; F140-A155 HydrophobicContact CD2-CB 3.76Å; F140-A155 HydrophobicContact CE2-CB 4.35Å; F140-A155 HydrophobicContact CG-CB 4.15Å; F140-L159 HydrophobicContact CD2-CD1 4.05Å; F140-L159 HydrophobicContact CE2-CD1 4.1Å |
| 141 | W | 88.8 | Confident | 86.7 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -47 | 174.8 | -81.7 | 88 | 0 | 0 | 0 | 112.2 | L64 T137 L138 W145 A152 I153 T156 | L64-W141 HydrophobicContact CD1-CB 4.33Å; L64-W141 HydrophobicContact CD2-CB 3.88Å; T137-W141 VanDerWaalsContact O-CD1 3.23Å; T137-W141 PolarHBondContact O-N 2.87Å; T137-W141 VanDerWaalsContact O-N 3.1Å; L138-W141 WeakPolarHBondContact O-CB 3.34Å; L138-W141 PolarHBondContact O-N 3.12Å; L138-W141 VanDerWaalsContact O-N 3.15Å; W141-W145 HydrophobicContact CE3-CE3 4.4Å; W141-W145 HydrophobicContact CE3-CZ3 4.24Å; W141-W145 HydrophobicContact CZ3-CZ3 4.38Å; W141-W145 WeakPolarHBondContact O-CB 3.49Å; W141-W145 PolarHBondContact O-N 2.94Å; W141-W145 VanDerWaalsContact O-N 3.16Å; W141-A152 HydrophobicContact CD2-CB 4.08Å; W141-A152 HydrophobicContact CE3-CB 4.32Å; W141-A152 HydrophobicContact CG-CB 4.3Å; W141-I153 HydrophobicContact CH2-CG1 4.26Å; W141-I153 HydrophobicContact CZ2-CG1 4.49Å; W141-T156 PolarHBondContact NE1-OG1 3.02Å |
| 142 | V | 86.3 | Confident | 86.5 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 178.6 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L51 V53 L64 L65 F68 L138 A139 | L51-V142 HydrophobicContact CD1-CG1 4.21Å; L51-V142 HydrophobicContact CD2-CB 4.33Å; L51-V142 HydrophobicContact CD2-CG1 3.91Å; L51-V142 HydrophobicContact CG-CG1 4.35Å; V53-V142 HydrophobicContact CG2-CG1 3.79Å; L64-V142 HydrophobicContact CD2-CB 4.42Å; L64-V142 HydrophobicContact CD2-CG2 3.54Å; L64-V142 HydrophobicContact CG-CG2 4.12Å; L65-V142 HydrophobicContact CD2-CB 4.44Å; L65-V142 HydrophobicContact CD2-CG1 3.55Å; L65-V142 HydrophobicContact CD2-CG2 3.94Å; F68-V142 HydrophobicContact CB-CG2 4.42Å; L138-V142 WeakPolarHBondContact O-CG2 3.34Å; L138-V142 PolarHBondContact O-N 3.06Å; A139-V142 PolarHBondContact O-N 3.31Å |
| 143 | K | 83.9 | Confident | 86.4 | Confident | 141 Ų | 141 | 56.9 Ų | 56.9 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | -178.2 | -173.1 | 88.3 | 175.9 | 175.1 | 0 | 112.7 | A139 F140 | A139-K143 WeakPolarHBondContact O-CB 3.18Å; A139-K143 PolarHBondContact O-N 3.45Å; F140-K143 PolarHBondContact O-N 3.44Å |
| 144 | F | 84 | Confident | 86.3 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -94.1 | 0.1 | -172.4 | -73.2 | -76.4 | 0 | 0 | 0 | 114.4 | F140 S146 V147 S148 S151 A152 | F140-F144 HydrophobicContact CB-CD2 4.32Å; F140-F144 HydrophobicContact CD1-CD2 4.46Å; F140-F144 HydrophobicContact CD1-CE2 4.07Å; F140-F144 WeakPolarHBondContact O-CB 3.37Å; F140-F144 WeakPolarHBondContact O-CD2 3.28Å; F140-F144 PolarHBondContact O-N 3Å; F144-S146 PolarHBondContact O-N 3.26Å; F144-S146 VanDerWaalsContact O-N 3.15Å; F144-V147 PolarHBondContact O-N 3.31Å; F144-S148 CarbonylContact O-C 3.59Å; F144-S148 PolarHBondContact O-N 3.38Å; F144-S148 VanDerWaalsContact O-N 3.13Å; F144-S151 WeakPolarHBondContact CE1-OG 3.39Å; F144-A152 HydrophobicContact CB-CB 4.24Å |
| 145 | W | 81.7 | Confident | 86.2 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -42.2 | -178.1 | -171.5 | -97.7 | 0 | 0 | 0 | 113.4 | P60 P61 W141 | P60-W145 HydrophobicContact CB-CB 4.33Å; P60-W145 HydrophobicContact CB-CD2 4.28Å; P60-W145 HydrophobicContact CB-CG 3.93Å; P61-W145 VanDerWaalsContact CD-CZ2 3.48Å; P61-W145 HydrophobicContact CG-CH2 4.05Å; P61-W145 HydrophobicContact CG-CZ2 4.23Å; P61-W145 HydrophobicContact CG-CZ3 4.48Å; W141-W145 HydrophobicContact CE3-CE3 4.4Å; W141-W145 HydrophobicContact CE3-CZ3 4.24Å; W141-W145 HydrophobicContact CZ3-CZ3 4.38Å; W141-W145 WeakPolarHBondContact O-CB 3.49Å; W141-W145 PolarHBondContact O-N 2.94Å; W141-W145 VanDerWaalsContact O-N 3.16Å |
| 146 | S | 71.1 | Confident | 86.1 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -24.3 | -177 | -173.9 | 0 | 0 | 0 | 0 | 114.1 | S58 F144 | S58-S146 PolarHBondContact OG-OG 3.07Å; S58-S146 VanDerWaalsContact OG-OG 3.08Å; F144-S146 PolarHBondContact O-N 3.26Å; F144-S146 VanDerWaalsContact O-N 3.15Å |
| 147 | V | 76 | Confident | 86.2 | Confident | 119 Ų | 119 | 62.8 Ų | 62.8 | 72% | 0.721 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -52.6 | -172 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | F144 | F144-V147 PolarHBondContact O-N 3.31Š|
| 148 | S | 77.8 | Confident | 86.2 | Confident | 51 Ų | 51 | 67 Ų | 67 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | trans | -165.7 | 111.1 | -179 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | F144 L150 S151 | F144-S148 CarbonylContact O-C 3.59Å; F144-S148 PolarHBondContact O-N 3.38Å; F144-S148 VanDerWaalsContact O-N 3.13Å; S148-L150 PolarHBondContact O-N 3.06Å; S148-S151 PolarHBondContact O-N 3.45Å; S148-S151 VanDerWaalsContact O-N 3.14Å | ||
| 149 | S | 79.2 | Confident | 86.3 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.5 | -27.5 | 175.7 | -45 | 0 | 0 | 0 | 0 | 112.3 | S151 A152 I153 | S149-S151 VanDerWaalsContact C-N 3.31Å; S149-S151 PolarHBondContact O-N 3.14Å; S149-A152 PolarHBondContact O-N 3.17Å; S149-I153 WeakPolarHBondContact O-CD1 3.29Å; S149-I153 VanDerWaalsContact O-CG1 3.27Å; S149-I153 WeakPolarHBondContact O-CG1 3.39Å; S149-I153 PolarHBondContact O-N 3.02Å; S149-I153 VanDerWaalsContact O-N 3.1Å |
| 150 | L | 87.4 | Confident | 86.4 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 71% | 0.707 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.8 | -36.1 | 176.9 | -92.3 | 76 | 0 | 0 | 0 | 112.4 | S148 I153 A154 | S148-L150 PolarHBondContact O-N 3.06Å; L150-I153 PolarHBondContact O-N 2.9Å; L150-A154 WeakPolarHBondContact O-CB 3.26Å; L150-A154 PolarHBondContact O-N 2.78Å |
| 151 | S | 89 | Confident | 86.6 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | F144 S148 S149 I153 A154 A155 | F144-S151 WeakPolarHBondContact CE1-OG 3.39Å; S148-S151 PolarHBondContact O-N 3.45Å; S148-S151 VanDerWaalsContact O-N 3.14Å; S149-S151 VanDerWaalsContact C-N 3.31Å; S149-S151 PolarHBondContact O-N 3.14Å; S151-I153 VanDerWaalsContact C-N 3.35Å; S151-I153 PolarHBondContact O-N 3.38Å; S151-A154 PolarHBondContact O-N 2.99Å; S151-A155 PolarHBondContact O-N 3.38Å |
| 152 | A | 88.2 | Confident | 86.6 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | W141 F144 S149 A155 T156 | W141-A152 HydrophobicContact CD2-CB 4.08Å; W141-A152 HydrophobicContact CE3-CB 4.32Å; W141-A152 HydrophobicContact CG-CB 4.3Å; F144-A152 HydrophobicContact CB-CB 4.24Å; S149-A152 PolarHBondContact O-N 3.17Å; A152-A155 PolarHBondContact O-N 3.2Å; A152-T156 WeakPolarHBondContact O-CB 3.27Å; A152-T156 PolarHBondContact O-N 3.38Å; A152-T156 PolarHBondContact O-OG1 3.06Å |
| 153 | I | 89.9 | Confident | 86.8 | Confident | 78 Ų | 78 | 68.6 Ų | 68.6 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 177.2 | -66.2 | 163.8 | 0 | 0 | 0 | 110.6 | W141 S149 L150 S151 A155 T156 I157 | W141-I153 HydrophobicContact CH2-CG1 4.26Å; W141-I153 HydrophobicContact CZ2-CG1 4.49Å; S149-I153 WeakPolarHBondContact O-CD1 3.29Å; S149-I153 VanDerWaalsContact O-CG1 3.27Å; S149-I153 WeakPolarHBondContact O-CG1 3.39Å; S149-I153 PolarHBondContact O-N 3.02Å; S149-I153 VanDerWaalsContact O-N 3.1Å; L150-I153 PolarHBondContact O-N 2.9Å; S151-I153 VanDerWaalsContact C-N 3.35Å; S151-I153 PolarHBondContact O-N 3.38Å; I153-A155 PolarHBondContact O-N 2.89Å; I153-T156 WeakPolarHBondContact O-CB 3.3Å; I153-T156 PolarHBondContact O-N 3.4Å; I153-T156 VanDerWaalsContact O-N 3.14Å; I153-I157 HydrophobicContact CG2-CD1 3.9Å; I153-I157 HydrophobicContact CG2-CG1 4.4Å; I153-I157 WeakPolarHBondContact O-CG1 3.37Å; I153-I157 PolarHBondContact O-N 3.09Å |
| 154 | A | 92.3 | Very high | 87 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 45% | 0.446 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L150 S151 T156 I157 V158 | L150-A154 WeakPolarHBondContact O-CB 3.26Å; L150-A154 PolarHBondContact O-N 2.78Å; S151-A154 PolarHBondContact O-N 2.99Å; A154-T156 VanDerWaalsContact C-N 3.27Å; A154-T156 PolarHBondContact O-N 2.96Å; A154-I157 PolarHBondContact O-N 3.29Å; A154-V158 WeakPolarHBondContact O-CG2 3.22Å; A154-V158 PolarHBondContact O-N 3.4Å |
| 155 | A | 89.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 20% | 0.198 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F140 S151 A152 I153 V158 L159 | F140-A155 HydrophobicContact CB-CB 4.27Å; F140-A155 HydrophobicContact CD2-CB 3.76Å; F140-A155 HydrophobicContact CE2-CB 4.35Å; F140-A155 HydrophobicContact CG-CB 4.15Å; S151-A155 PolarHBondContact O-N 3.38Å; A152-A155 PolarHBondContact O-N 3.2Å; I153-A155 PolarHBondContact O-N 2.89Å; A155-V158 PolarHBondContact O-N 3.16Å; A155-L159 WeakPolarHBondContact O-CB 3.32Å; A155-L159 WeakPolarHBondContact O-CG 3.17Å; A155-L159 PolarHBondContact O-N 2.92Å |
| 156 | T | 91.8 | Very high | 87.5 | Confident | 20 Ų | 20 | 67 Ų | 67 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | T137 W141 A152 I153 A154 V158 L159 I160 | T137-T156 HydrophobicContact CG2-CG2 4.05Å; W141-T156 PolarHBondContact NE1-OG1 3.02Å; A152-T156 WeakPolarHBondContact O-CB 3.27Å; A152-T156 PolarHBondContact O-N 3.38Å; A152-T156 PolarHBondContact O-OG1 3.06Å; I153-T156 WeakPolarHBondContact O-CB 3.3Å; I153-T156 PolarHBondContact O-N 3.4Å; I153-T156 VanDerWaalsContact O-N 3.14Å; A154-T156 VanDerWaalsContact C-N 3.27Å; A154-T156 PolarHBondContact O-N 2.96Å; T156-V158 PolarHBondContact O-N 3.24Å; T156-L159 PolarHBondContact O-N 3.31Å; T156-L159 VanDerWaalsContact O-N 3.15Å; T156-I160 HydrophobicContact CG2-CD1 3.6Å; T156-I160 HydrophobicContact CG2-CG1 3.85Å; T156-I160 WeakPolarHBondContact O-CB 3.43Å; T156-I160 WeakPolarHBondContact O-CG1 3.25Å; T156-I160 PolarHBondContact O-N 3.44Å |
| 157 | I | 93.7 | Very high | 88.2 | Confident | 108 Ų | 108 | 65.4 Ų | 65.4 | 55% | 0.554 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.7 | -36.3 | 175.4 | -71.1 | 167.6 | 0 | 0 | 0 | 111.1 | I153 A154 P161 | I153-I157 HydrophobicContact CG2-CD1 3.9Å; I153-I157 HydrophobicContact CG2-CG1 4.4Å; I153-I157 WeakPolarHBondContact O-CG1 3.37Å; I153-I157 PolarHBondContact O-N 3.09Å; A154-I157 PolarHBondContact O-N 3.29Å; I157-P161 WeakPolarHBondContact O-CD 3.43Å |
| 158 | V | 92.1 | Very high | 88.8 | Confident | 110 Ų | 110 | 64.4 Ų | 64.4 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74 | -36.7 | 176.8 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | A154 A155 T156 | A154-V158 WeakPolarHBondContact O-CG2 3.22Å; A154-V158 PolarHBondContact O-N 3.4Å; A155-V158 PolarHBondContact O-N 3.16Å; T156-V158 PolarHBondContact O-N 3.24Å |
| 159 | L | 91.5 | Very high | 89 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -82.4 | -28.1 | -177.5 | -69 | 170.9 | 0 | 0 | 0 | 113.8 | L133 V136 T137 F140 A155 T156 A162 M163 | L133-L159 HydrophobicContact CD2-CD2 4.07Å; V136-L159 HydrophobicContact CG1-CD1 4.09Å; T137-L159 VanDerWaalsContact OG1-CD1 3.23Å; T137-L159 WeakPolarHBondContact OG1-CD1 3.25Å; F140-L159 HydrophobicContact CD2-CD1 4.05Å; F140-L159 HydrophobicContact CE2-CD1 4.1Å; A155-L159 WeakPolarHBondContact O-CB 3.32Å; A155-L159 WeakPolarHBondContact O-CG 3.17Å; A155-L159 PolarHBondContact O-N 2.92Å; T156-L159 PolarHBondContact O-N 3.31Å; T156-L159 VanDerWaalsContact O-N 3.15Å; L159-A162 PolarHBondContact O-N 3.22Å; L159-M163 WeakPolarHBondContact O-CB 3.47Å; L159-M163 WeakPolarHBondContact O-CG 3.49Å; L159-M163 PolarHBondContact O-N 3.44Å |
| 160 | I | 90.7 | Very high | 89.2 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 41% | 0.41 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.2 | -50 | -179.6 | -80.5 | 166 | 0 | 0 | 0 | 111.9 | T156 A162 M163 L164 | T156-I160 HydrophobicContact CG2-CD1 3.6Å; T156-I160 HydrophobicContact CG2-CG1 3.85Å; T156-I160 WeakPolarHBondContact O-CB 3.43Å; T156-I160 WeakPolarHBondContact O-CG1 3.25Å; T156-I160 PolarHBondContact O-N 3.44Å; I160-A162 VanDerWaalsContact C-N 3.31Å; I160-A162 PolarHBondContact O-N 2.98Å; I160-M163 CarbonylContact O-C 3.59Å; I160-M163 WeakPolarHBondContact O-CB 3.21Å; I160-M163 PolarHBondContact O-N 3.27Å; I160-L164 HydrophobicContact CG2-CD1 3.75Å; I160-L164 HydrophobicContact CG2-CG 4.12Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.33Å; I160-L164 PolarHBondContact O-N 3.06Å |
| 161 | P | 92.4 | Very high | 89 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 179.3 | -25.7 | 33.3 | 0 | 0 | 0 | 112.4 | I157 L164 I165 | I157-P161 WeakPolarHBondContact O-CD 3.43Å; P161-L164 PolarHBondContact O-N 2.87Å; P161-I165 VanDerWaalsContact O-CG1 3.27Å; P161-I165 WeakPolarHBondContact O-CG1 3.35Å; P161-I165 PolarHBondContact O-N 3.28Å |
| 162 | A | 90.1 | Very high | 88.6 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -50.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L133 L159 I160 L164 I165 F166 | L133-A162 HydrophobicContact CD1-CB 4.21Å; L159-A162 PolarHBondContact O-N 3.22Å; I160-A162 VanDerWaalsContact C-N 3.31Å; I160-A162 PolarHBondContact O-N 2.98Å; A162-L164 PolarHBondContact O-N 3.32Å; A162-I165 PolarHBondContact O-N 3.45Å; A162-F166 WeakPolarHBondContact O-CD2 3.15Å; A162-F166 PolarHBondContact O-N 2.89Å |
| 163 | M | 89.1 | Confident | 88.2 | Confident | 39 Ų | 39 | 69 Ų | 69 | 19% | 0.192 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 176.7 | -80.7 | -67.1 | -78.3 | 0 | 0 | 112.7 | I130 L133 A134 L159 I160 F166 V167 | I130-M163 HydrophobicContact CG2-CE 3.84Å; I130-M163 HydrophobicContact CG2-SD 4.18Å; L133-M163 HydrophobicContact CB-CG 3.9Å; L133-M163 HydrophobicContact CB-SD 3.27Å; L133-M163 WeakPolarHBondContact CB-SD 3.21Å; L133-M163 HydrophobicContact CD1-CG 4.34Å; L133-M163 HydrophobicContact CD1-SD 3.98Å; L133-M163 HydrophobicContact CG-SD 4.28Å; A134-M163 HydrophobicContact CB-CE 3.85Å; L159-M163 WeakPolarHBondContact O-CB 3.47Å; L159-M163 WeakPolarHBondContact O-CG 3.49Å; L159-M163 PolarHBondContact O-N 3.44Å; I160-M163 CarbonylContact O-C 3.59Å; I160-M163 WeakPolarHBondContact O-CB 3.21Å; I160-M163 PolarHBondContact O-N 3.27Å; M163-F166 PolarHBondContact O-N 3.44Å; M163-V167 WeakPolarHBondContact O-CB 3.41Å; M163-V167 WeakPolarHBondContact O-CG2 3.22Å; M163-V167 PolarHBondContact O-N 3.03Å |
| 164 | L | 89.9 | Confident | 87.7 | Confident | 100 Ų | 100 | 72.9 Ų | 72.9 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 179.6 | -75.7 | 176 | 0 | 0 | 0 | 111.8 | I160 P161 A162 F166 V167 I168 | I160-L164 HydrophobicContact CG2-CD1 3.75Å; I160-L164 HydrophobicContact CG2-CG 4.12Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.33Å; I160-L164 PolarHBondContact O-N 3.06Å; P161-L164 PolarHBondContact O-N 2.87Å; A162-L164 PolarHBondContact O-N 3.32Å; L164-F166 VanDerWaalsContact C-N 3.33Å; L164-F166 PolarHBondContact O-N 3.47Å; L164-V167 PolarHBondContact O-N 3.36Å; L164-I168 WeakPolarHBondContact O-CB 3.28Å; L164-I168 WeakPolarHBondContact O-CD1 3.35Å; L164-I168 WeakPolarHBondContact O-CG1 3.49Å; L164-I168 PolarHBondContact O-N 2.96Å |
| 165 | I | 89.2 | Confident | 87.1 | Confident | 94 Ų | 94 | 78.6 Ų | 78.6 | 48% | 0.482 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 175.8 | -70.7 | 167.7 | 0 | 0 | 0 | 109.5 | P161 A162 V167 I168 F169 | P161-I165 VanDerWaalsContact O-CG1 3.27Å; P161-I165 WeakPolarHBondContact O-CG1 3.35Å; P161-I165 PolarHBondContact O-N 3.28Å; A162-I165 PolarHBondContact O-N 3.45Å; I165-V167 PolarHBondContact O-N 3.21Å; I165-I168 PolarHBondContact O-N 2.86Å; I165-F169 HydrophobicContact CG2-CD2 3.68Å; I165-F169 HydrophobicContact CG2-CE2 3.67Å; I165-F169 WeakPolarHBondContact O-CD2 3.18Å; I165-F169 PolarHBondContact O-N 3.01Å |
| 166 | F | 86.1 | Confident | 86.5 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 31% | 0.307 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 179.6 | -74.3 | -67.3 | 0 | 0 | 0 | 113.2 | I129 I130 L133 A162 M163 L164 F169 A170 | I129-F166 HydrophobicContact CG2-CD1 4.24Å; I129-F166 HydrophobicContact CG2-CD2 4.39Å; I129-F166 HydrophobicContact CG2-CE1 3.97Å; I129-F166 HydrophobicContact CG2-CE2 4.16Å; I129-F166 HydrophobicContact CG2-CG 4.46Å; I129-F166 HydrophobicContact CG2-CZ 3.94Å; I130-F166 HydrophobicContact CD1-CB 4.13Å; I130-F166 HydrophobicContact CG1-CB 3.58Å; I130-F166 HydrophobicContact CG1-CG 4.5Å; L133-F166 HydrophobicContact CD1-CD2 3.39Å; L133-F166 HydrophobicContact CD1-CE2 3.67Å; L133-F166 HydrophobicContact CD1-CG 4.43Å; A162-F166 WeakPolarHBondContact O-CD2 3.15Å; A162-F166 PolarHBondContact O-N 2.89Å; M163-F166 PolarHBondContact O-N 3.44Å; L164-F166 VanDerWaalsContact C-N 3.33Å; L164-F166 PolarHBondContact O-N 3.47Å; F166-F169 PolarHBondContact O-N 3.31Å; F166-A170 WeakPolarHBondContact O-CB 2.83Å; F166-A170 PolarHBondContact O-N 3.25Å |
| 167 | V | 86.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 81.2 Ų | 81.2 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 175.7 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | I130 M163 L164 I165 F169 A170 I171 | I130-V167 HydrophobicContact CG2-CG2 4.36Å; M163-V167 WeakPolarHBondContact O-CB 3.41Å; M163-V167 WeakPolarHBondContact O-CG2 3.22Å; M163-V167 PolarHBondContact O-N 3.03Å; L164-V167 PolarHBondContact O-N 3.36Å; I165-V167 PolarHBondContact O-N 3.21Å; V167-F169 VanDerWaalsContact C-N 3.35Å; V167-F169 PolarHBondContact O-N 3.06Å; V167-A170 PolarHBondContact O-N 3.46Å; V167-I171 HydrophobicContact CG1-CD1 3.7Å; V167-I171 HydrophobicContact CG1-CG1 4.31Å; V167-I171 WeakPolarHBondContact O-CB 3.44Å; V167-I171 VanDerWaalsContact O-CG1 3.24Å; V167-I171 WeakPolarHBondContact O-CG1 3.32Å; V167-I171 PolarHBondContact O-N 3.5Å |
| 168 | I | 87.4 | Confident | 84.9 | Confident | 97 Ų | 97 | 78.8 Ų | 78.8 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 174 | -69.2 | 163.4 | 0 | 0 | 0 | 109.5 | L164 I165 A170 I171 L172 | L164-I168 WeakPolarHBondContact O-CB 3.28Å; L164-I168 WeakPolarHBondContact O-CD1 3.35Å; L164-I168 WeakPolarHBondContact O-CG1 3.49Å; L164-I168 PolarHBondContact O-N 2.96Å; I165-I168 PolarHBondContact O-N 2.86Å; I168-A170 VanDerWaalsContact C-N 3.33Å; I168-A170 PolarHBondContact O-N 3.14Å; I168-I171 PolarHBondContact O-N 3.14Å; I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.24Å; I168-L172 WeakPolarHBondContact O-CB 3.41Å; I168-L172 VanDerWaalsContact O-CG 3.23Å; I168-L172 WeakPolarHBondContact O-CG 3.5Å; I168-L172 PolarHBondContact O-N 3.24Å |
| 169 | F | 82.9 | Confident | 84.1 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.2 | -42.2 | 176.1 | -86.3 | -71 | 0 | 0 | 0 | 112.5 | I165 F166 V167 L172 F173 | I165-F169 HydrophobicContact CG2-CD2 3.68Å; I165-F169 HydrophobicContact CG2-CE2 3.67Å; I165-F169 WeakPolarHBondContact O-CD2 3.18Å; I165-F169 PolarHBondContact O-N 3.01Å; F166-F169 PolarHBondContact O-N 3.31Å; V167-F169 VanDerWaalsContact C-N 3.35Å; V167-F169 PolarHBondContact O-N 3.06Å; F169-L172 PolarHBondContact O-N 3.46Å; F169-F173 WeakPolarHBondContact O-CB 3.36Å; F169-F173 PolarHBondContact O-N 3.4Å |
| 170 | A | 83.4 | Confident | 83.2 | Confident | 22 Ų | 22 | 81 Ų | 81 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V126 I130 F166 V167 I168 F173 Y174 | V126-A170 HydrophobicContact CG1-CB 4.27Å; I130-A170 HydrophobicContact CD1-CB 3.51Å; F166-A170 WeakPolarHBondContact O-CB 2.83Å; F166-A170 PolarHBondContact O-N 3.25Å; V167-A170 PolarHBondContact O-N 3.46Å; I168-A170 VanDerWaalsContact C-N 3.33Å; I168-A170 PolarHBondContact O-N 3.14Å; A170-F173 PolarHBondContact O-N 3.38Å; A170-Y174 VanDerWaalsContact O-CB 3.22Å; A170-Y174 WeakPolarHBondContact O-CB 3.19Å; A170-Y174 PolarHBondContact O-N 2.97Å |
| 171 | I | 81.8 | Confident | 82.3 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 175.2 | -69 | 166.4 | 0 | 0 | 0 | 110.3 | V167 I168 F173 Y174 R175 | V167-I171 HydrophobicContact CG1-CD1 3.7Å; V167-I171 HydrophobicContact CG1-CG1 4.31Å; V167-I171 WeakPolarHBondContact O-CB 3.44Å; V167-I171 VanDerWaalsContact O-CG1 3.24Å; V167-I171 WeakPolarHBondContact O-CG1 3.32Å; V167-I171 PolarHBondContact O-N 3.5Å; I168-I171 PolarHBondContact O-N 3.14Å; I171-F173 VanDerWaalsContact C-N 3.28Å; I171-F173 PolarHBondContact O-N 3.2Å; I171-Y174 PolarHBondContact O-N 3.08Å; I171-R175 HydrophobicContact CG2-CG 4.49Å; I171-R175 WeakPolarHBondContact O-CB 3.42Å; I171-R175 WeakPolarHBondContact O-CG 3.5Å; I171-R175 PolarHBondContact O-N 3.22Å |
| 172 | L | 81.1 | Confident | 81.6 | Confident | 103 Ų | 103 | 84.7 Ų | 84.7 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 176.4 | -71.4 | 174.1 | 0 | 0 | 0 | 110.8 | I168 F169 R175 A176 | I168-L172 HydrophobicContact CG2-CD1 3.84Å; I168-L172 HydrophobicContact CG2-CG 4.24Å; I168-L172 WeakPolarHBondContact O-CB 3.41Å; I168-L172 VanDerWaalsContact O-CG 3.23Å; I168-L172 WeakPolarHBondContact O-CG 3.5Å; I168-L172 PolarHBondContact O-N 3.24Å; F169-L172 PolarHBondContact O-N 3.46Å; L172-R175 PolarHBondContact O-N 3.39Å; L172-A176 VanDerWaalsContact O-CB 3.32Å; L172-A176 WeakPolarHBondContact O-CB 2.99Å; L172-A176 PolarHBondContact O-N 2.92Å |
| 173 | F | 79.5 | Confident | 81.1 | Confident | 58 Ų | 58 | 89.6 Ų | 89.6 | 25% | 0.254 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 178.4 | -177.6 | -96 | 0 | 0 | 0 | 112.4 | V119 C123 F169 A170 I171 R175 A176 L177 | V119-F173 HydrophobicContact CG1-CE2 4.13Å; V119-F173 HydrophobicContact CG1-CZ 3.59Å; C123-F173 HydrophobicContact CB-CD1 4.32Å; C123-F173 HydrophobicContact CB-CE1 3.4Å; C123-F173 HydrophobicContact CB-CZ 4.03Å; C123-F173 VanDerWaalsContact SG-CE1 3.52Å; F169-F173 WeakPolarHBondContact O-CB 3.36Å; F169-F173 PolarHBondContact O-N 3.4Å; A170-F173 PolarHBondContact O-N 3.38Å; I171-F173 VanDerWaalsContact C-N 3.28Å; I171-F173 PolarHBondContact O-N 3.2Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.21Å; F173-A176 PolarHBondContact O-N 3.16Å; F173-L177 HydrophobicContact CD1-CD1 3.68Å; F173-L177 HydrophobicContact CD1-CG 4.31Å; F173-L177 HydrophobicContact CE1-CD1 3.14Å; F173-L177 HydrophobicContact CE1-CG 3.87Å; F173-L177 HydrophobicContact CZ-CD1 3.75Å; F173-L177 HydrophobicContact CZ-CG 4.08Å; F173-L177 VanDerWaalsContact O-CB 3.31Å; F173-L177 WeakPolarHBondContact O-CB 3.33Å; F173-L177 PolarHBondContact O-N 3.07Å |
| 174 | Y | 79.4 | Confident | 80.4 | Confident | 160 Ų | 160 | 90.7 Ų | 90.7 | 63% | 0.627 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 175 | -177.6 | -95.6 | 0 | 0 | 0 | 111.4 | A170 I171 T178 | A170-Y174 VanDerWaalsContact O-CB 3.22Å; A170-Y174 WeakPolarHBondContact O-CB 3.19Å; A170-Y174 PolarHBondContact O-N 2.97Å; I171-Y174 PolarHBondContact O-N 3.08Å; Y174-T178 WeakPolarHBondContact O-CB 3.26Å; Y174-T178 PolarHBondContact O-N 3.37Å; Y174-T178 PolarHBondContact O-OG1 3.25Å |
| 175 | R | 80.8 | Confident | 79.8 | Confident | 174 Ų | 174 | 88.1 Ų | 88.1 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.6 | -49 | 174.2 | -77.9 | -174.6 | 138.9 | 171.9 | -3.9 | 111.6 | I171 L172 F173 L177 T178 T179 | I171-R175 HydrophobicContact CG2-CG 4.49Å; I171-R175 WeakPolarHBondContact O-CB 3.42Å; I171-R175 WeakPolarHBondContact O-CG 3.5Å; I171-R175 PolarHBondContact O-N 3.22Å; L172-R175 PolarHBondContact O-N 3.39Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.21Å; R175-L177 VanDerWaalsContact C-N 3.29Å; R175-L177 PolarHBondContact O-N 2.77Å; R175-T178 PolarHBondContact O-N 3.1Å; R175-T178 VanDerWaalsContact O-N 3.1Å; R175-T179 PolarHBondContact O-N 3.01Å; R175-T179 PolarHBondContact O-OG1 2.59Å; R175-T179 VanDerWaalsContact O-OG1 3.1Å |
| 176 | A | 77.4 | Confident | 79.6 | Confident | 62 Ų | 62 | 87.8 Ų | 87.8 | 51% | 0.512 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L172 F173 Y180 | L172-A176 VanDerWaalsContact O-CB 3.32Å; L172-A176 WeakPolarHBondContact O-CB 2.99Å; L172-A176 PolarHBondContact O-N 2.92Å; F173-A176 PolarHBondContact O-N 3.16Å; A176-Y180 WeakPolarHBondContact O-CB 3.04Å; A176-Y180 PolarHBondContact O-N 2.98Å |
| 177 | L | 73.5 | Confident | 79.5 | Confident | 37 Ų | 37 | 89.2 Ų | 89.2 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.6 | -90.4 | 176.3 | 0 | 0 | 0 | 112.7 | V119 F173 R175 Y180 K181 | V119-L177 HydrophobicContact CG1-CD2 3.55Å; V119-L177 HydrophobicContact CG1-CG 4.3Å; F173-L177 HydrophobicContact CD1-CD1 3.68Å; F173-L177 HydrophobicContact CD1-CG 4.31Å; F173-L177 HydrophobicContact CE1-CD1 3.14Å; F173-L177 HydrophobicContact CE1-CG 3.87Å; F173-L177 HydrophobicContact CZ-CD1 3.75Å; F173-L177 HydrophobicContact CZ-CG 4.08Å; F173-L177 VanDerWaalsContact O-CB 3.31Å; F173-L177 WeakPolarHBondContact O-CB 3.33Å; F173-L177 PolarHBondContact O-N 3.07Å; R175-L177 VanDerWaalsContact C-N 3.29Å; R175-L177 PolarHBondContact O-N 2.77Å; L177-Y180 PolarHBondContact O-N 3.44Å; L177-K181 WeakPolarHBondContact O-CB 3.23Å; L177-K181 WeakPolarHBondContact O-CG 2.92Å; L177-K181 PolarHBondContact O-N 3.17Å |
| 178 | T | 77.6 | Confident | 79.3 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 36% | 0.356 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | -177.8 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | Y174 R175 Y180 K181 V182 | Y174-T178 WeakPolarHBondContact O-CB 3.26Å; Y174-T178 PolarHBondContact O-N 3.37Å; Y174-T178 PolarHBondContact O-OG1 3.25Å; R175-T178 PolarHBondContact O-N 3.1Å; R175-T178 VanDerWaalsContact O-N 3.1Å; T178-Y180 VanDerWaalsContact C-N 3.32Å; T178-Y180 PolarHBondContact O-N 3.49Å; T178-K181 PolarHBondContact O-N 3.4Å; T178-V182 WeakPolarHBondContact O-CG2 3.2Å; T178-V182 PolarHBondContact O-N 2.74Å |
| 179 | T | 76.5 | Confident | 79.2 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59 | -45.4 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | R175 K181 V182 E183 | R175-T179 PolarHBondContact O-N 3.01Å; R175-T179 PolarHBondContact O-OG1 2.59Å; R175-T179 VanDerWaalsContact O-OG1 3.1Å; T179-K181 PolarHBondContact O-N 3.02Å; T179-V182 PolarHBondContact O-N 3.08Å; T179-E183 PolarHBondContact O-N 2.91Å |
| 180 | Y | 72.4 | Confident | 79.6 | Confident | 90 Ų | 90 | 91.4 Ų | 91.4 | 35% | 0.353 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 177.7 | -179.5 | -111.3 | 0 | 0 | 0 | 113.3 | F116 A176 L177 T178 R184 | F116-Y180 HydrophobicContact CD1-CE1 4.47Å; F116-Y180 HydrophobicContact CE1-CD1 4.31Å; F116-Y180 AromaticContact CE1-CE1 3.69Å; F116-Y180 HydrophobicContact CE1-CE1 3.69Å; F116-Y180 HydrophobicContact CZ-CE1 4.29Å; A176-Y180 WeakPolarHBondContact O-CB 3.04Å; A176-Y180 PolarHBondContact O-N 2.98Å; L177-Y180 PolarHBondContact O-N 3.44Å; T178-Y180 VanDerWaalsContact C-N 3.32Å; T178-Y180 PolarHBondContact O-N 3.49Å; Y180-R184 HydrophobicContact CE2-CG 4.49Å; Y180-R184 VanDerWaalsContact CZ-CZ 3.48Å; Y180-R184 WeakPolarHBondContact O-CB 3.5Å; Y180-R184 PolarHBondContact O-N 3.17Å; Y180-R184 PolarHBondContact OH-NE 2.9Å; Y180-R184 PolarHBondContact OH-NH1 3.36Å; Y180-R184 PolarHBondContact OH-NH2 3.27Å |
| 181 | K | 71.7 | Confident | 79.9 | Confident | 137 Ų | 137 | 93.8 Ų | 93.8 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 175.5 | -80.6 | -175.2 | 177.8 | -174.3 | 0 | 111.6 | L177 T178 T179 A185 | L177-K181 WeakPolarHBondContact O-CB 3.23Å; L177-K181 WeakPolarHBondContact O-CG 2.92Å; L177-K181 PolarHBondContact O-N 3.17Å; T178-K181 PolarHBondContact O-N 3.4Å; T179-K181 PolarHBondContact O-N 3.02Å; K181-A185 WeakPolarHBondContact O-CB 3.34Å; K181-A185 PolarHBondContact O-N 3.4Å |
| 182 | V | 76.9 | Confident | 80.1 | Confident | 88 Ų | 88 | 94.3 Ų | 94.3 | 53% | 0.533 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -50.9 | 179 | 172.3 | 0 | 0 | 0 | 0 | 110 | T178 T179 R184 A185 T186 | T178-V182 WeakPolarHBondContact O-CG2 3.2Å; T178-V182 PolarHBondContact O-N 2.74Å; T179-V182 PolarHBondContact O-N 3.08Å; V182-R184 PolarHBondContact O-N 2.95Å; V182-A185 PolarHBondContact O-N 3.27Å; V182-T186 PolarHBondContact O-N 2.67Å; V182-T186 PolarHBondContact O-OG1 3.22Å; V182-T186 VanDerWaalsContact O-OG1 3.08Å |
| 183 | E | 79.5 | Confident | 80.6 | Confident | 135 Ų | 135 | 94 Ų | 94 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | -179.2 | -170.5 | 169.2 | -165 | 0 | 0 | 112 | T179 T186 E187 | T179-E183 PolarHBondContact O-N 2.91Å; E183-T186 PolarHBondContact O-N 3.33Å; E183-E187 PolarHBondContact O-N 3.07Å |
| 184 | R | 74 | Confident | 81.2 | Confident | 62 Ų | 62 | 95.3 Ų | 95.3 | 23% | 0.234 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 175.4 | -99.3 | -172.8 | 170.3 | 173.7 | 2.8 | 113.8 | R112 Y180 V182 T186 E187 M188 | R112-R184 VanDerWaalsContact CG-NH1 3.35Å; Y180-R184 HydrophobicContact CE2-CG 4.49Å; Y180-R184 VanDerWaalsContact CZ-CZ 3.48Å; Y180-R184 WeakPolarHBondContact O-CB 3.5Å; Y180-R184 PolarHBondContact O-N 3.17Å; Y180-R184 PolarHBondContact OH-NE 2.9Å; Y180-R184 PolarHBondContact OH-NH1 3.36Å; Y180-R184 PolarHBondContact OH-NH2 3.27Å; V182-R184 PolarHBondContact O-N 2.95Å; R184-T186 VanDerWaalsContact C-N 3.35Å; R184-E187 PolarHBondContact O-N 3.43Å; R184-M188 WeakPolarHBondContact O-CB 3.48Å; R184-M188 WeakPolarHBondContact O-CG 3.41Å; R184-M188 PolarHBondContact O-N 3.4Å |
| 185 | A | 78.5 | Confident | 81.8 | Confident | 46 Ų | 46 | 96.9 Ų | 96.9 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K181 V182 E187 M188 I189 | K181-A185 WeakPolarHBondContact O-CB 3.34Å; K181-A185 PolarHBondContact O-N 3.4Å; V182-A185 PolarHBondContact O-N 3.27Å; A185-E187 PolarHBondContact O-N 2.98Å; A185-M188 PolarHBondContact O-N 3.05Å; A185-I189 WeakPolarHBondContact O-CB 3.47Å; A185-I189 WeakPolarHBondContact O-CD1 3.49Å; A185-I189 WeakPolarHBondContact O-CG1 3.4Å; A185-I189 PolarHBondContact O-N 2.82Å |
| 186 | T | 83.9 | Confident | 82.4 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.3 | -57 | 0 | 0 | 0 | 0 | 111.7 | V182 E183 R184 I189 R190 | V182-T186 PolarHBondContact O-N 2.67Å; V182-T186 PolarHBondContact O-OG1 3.22Å; V182-T186 VanDerWaalsContact O-OG1 3.08Å; E183-T186 PolarHBondContact O-N 3.33Å; R184-T186 VanDerWaalsContact C-N 3.35Å; T186-I189 PolarHBondContact O-N 3.36Å; T186-R190 PolarHBondContact O-N 3.5Å |
| 187 | E | 85 | Confident | 83.1 | Confident | 100 Ų | 100 | 93.7 Ų | 93.7 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 177.6 | -170.4 | 175.4 | -159.8 | 0 | 0 | 112.5 | E183 R184 A185 R190 N191 | E183-E187 PolarHBondContact O-N 3.07Å; R184-E187 PolarHBondContact O-N 3.43Å; A185-E187 PolarHBondContact O-N 2.98Å; E187-R190 PolarHBondContact O-N 2.97Å; E187-N191 WeakPolarHBondContact O-CB 3.13Å; E187-N191 PolarHBondContact O-N 3Å; E187-N191 PolarHBondContact O-ND2 2.88Å |
| 188 | M | 82.8 | Confident | 83.9 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 39% | 0.394 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.3 | -84.4 | -172.5 | 173.1 | 0 | 0 | 111.9 | R184 A185 R190 N191 I192 | R184-M188 WeakPolarHBondContact O-CB 3.48Å; R184-M188 WeakPolarHBondContact O-CG 3.41Å; R184-M188 PolarHBondContact O-N 3.4Å; A185-M188 PolarHBondContact O-N 3.05Å; M188-R190 VanDerWaalsContact C-N 3.34Å; M188-R190 PolarHBondContact O-N 3.3Å; M188-N191 PolarHBondContact O-N 2.94Å; M188-I192 VanDerWaalsContact O-CG1 3.28Å; M188-I192 WeakPolarHBondContact O-CG1 3.28Å; M188-I192 PolarHBondContact O-N 3.39Å |
| 189 | I | 85 | Confident | 84.5 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 59% | 0.585 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 177.1 | -70.6 | 159 | 0 | 0 | 0 | 110.1 | A185 T186 N191 I192 D193 | A185-I189 WeakPolarHBondContact O-CB 3.47Å; A185-I189 WeakPolarHBondContact O-CD1 3.49Å; A185-I189 WeakPolarHBondContact O-CG1 3.4Å; A185-I189 PolarHBondContact O-N 2.82Å; T186-I189 PolarHBondContact O-N 3.36Å; I189-N191 PolarHBondContact O-N 3.48Å; I189-I192 PolarHBondContact O-N 3.33Å; I189-D193 WeakPolarHBondContact O-CB 3.42Å; I189-D193 PolarHBondContact O-N 2.85Å |
| 190 | R | 90 | Very high | 85.3 | Confident | 129 Ų | 129 | 107 Ų | 107 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 177.9 | -172.2 | -171 | 64.9 | 100.7 | 1.7 | 112.7 | T186 E187 M188 D193 M194 | T186-R190 PolarHBondContact O-N 3.5Å; E187-R190 PolarHBondContact O-N 2.97Å; M188-R190 VanDerWaalsContact C-N 3.34Å; M188-R190 PolarHBondContact O-N 3.3Å; R190-D193 PolarHBondContact O-N 3.19Å; R190-M194 HydrophobicContact CG-CE 4.04Å; R190-M194 PolarHBondContact O-N 2.83Å |
| 191 | N | 90 | Very high | 86.2 | Confident | 72 Ų | 72 | 105.3 Ų | 105.3 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 177.9 | -80.9 | -24.8 | 0 | 0 | 0 | 112.4 | E187 M188 I189 R195 | E187-N191 WeakPolarHBondContact O-CB 3.13Å; E187-N191 PolarHBondContact O-N 3Å; E187-N191 PolarHBondContact O-ND2 2.88Å; M188-N191 PolarHBondContact O-N 2.94Å; I189-N191 PolarHBondContact O-N 3.48Å; N191-R195 WeakPolarHBondContact O-CG 3.4Å; N191-R195 PolarHBondContact O-N 3.42Å; N191-R195 VanDerWaalsContact O-N 3.16Å |
| 192 | I | 87.5 | Confident | 87.2 | Confident | 98 Ų | 98 | 100.1 Ų | 100.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 174.6 | -65 | 166.3 | 0 | 0 | 0 | 109.8 | M188 I189 R195 M196 | M188-I192 VanDerWaalsContact O-CG1 3.28Å; M188-I192 WeakPolarHBondContact O-CG1 3.28Å; M188-I192 PolarHBondContact O-N 3.39Å; I189-I192 PolarHBondContact O-N 3.33Å; I192-R195 PolarHBondContact O-N 3.25Å; I192-M196 HydrophobicContact CG2-CE 4.03Å; I192-M196 HydrophobicContact CG2-CG 4.39Å; I192-M196 HydrophobicContact CG2-SD 4.37Å; I192-M196 WeakPolarHBondContact O-CG 3.3Å; I192-M196 PolarHBondContact O-N 3.42Å |
| 193 | D | 91.6 | Very high | 88 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 178.2 | -171 | 58.1 | 0 | 0 | 0 | 112.4 | I189 R190 R195 M196 S197 | I189-D193 WeakPolarHBondContact O-CB 3.42Å; I189-D193 PolarHBondContact O-N 2.85Å; R190-D193 PolarHBondContact O-N 3.19Å; D193-R195 VanDerWaalsContact C-N 3.33Å; D193-R195 PolarHBondContact O-N 3.16Å; D193-M196 PolarHBondContact O-N 2.73Å; D193-S197 PolarHBondContact O-N 3.42Å |
| 194 | M | 91.7 | Very high | 88.6 | Confident | 85 Ų | 85 | 98.4 Ų | 98.4 | 42% | 0.419 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -43.6 | 173 | -95.2 | -172.6 | -73.2 | 0 | 0 | 112.2 | R190 S197 F198 | R190-M194 HydrophobicContact CG-CE 4.04Å; R190-M194 PolarHBondContact O-N 2.83Å; M194-S197 PolarHBondContact O-N 3.04Å; M194-S197 PolarHBondContact O-OG 3.44Å; M194-F198 PolarHBondContact O-N 3.41Å |
| 195 | R | 92.3 | Very high | 89.4 | Confident | 193 Ų | 193 | 102.4 Ų | 102.4 | 73% | 0.728 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 177.1 | -76.9 | -177.7 | 165.6 | -173 | -4.2 | 112.1 | N191 I192 D193 F198 L199 | N191-R195 WeakPolarHBondContact O-CG 3.4Å; N191-R195 PolarHBondContact O-N 3.42Å; N191-R195 VanDerWaalsContact O-N 3.16Å; I192-R195 PolarHBondContact O-N 3.25Å; D193-R195 VanDerWaalsContact C-N 3.33Å; D193-R195 PolarHBondContact O-N 3.16Å; R195-F198 PolarHBondContact O-N 3.41Å; R195-L199 VanDerWaalsContact O-CG 3.3Å; R195-L199 WeakPolarHBondContact O-CG 3.39Å; R195-L199 PolarHBondContact O-N 3.29Å |
| 196 | M | 92.7 | Very high | 89.9 | Confident | 105 Ų | 105 | 106.6 Ų | 106.6 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174 | -72.7 | -168.8 | -62.2 | 0 | 0 | 111.5 | I192 D193 F198 L199 R200 | I192-M196 HydrophobicContact CG2-CE 4.03Å; I192-M196 HydrophobicContact CG2-CG 4.39Å; I192-M196 HydrophobicContact CG2-SD 4.37Å; I192-M196 WeakPolarHBondContact O-CG 3.3Å; I192-M196 PolarHBondContact O-N 3.42Å; D193-M196 PolarHBondContact O-N 2.73Å; M196-F198 PolarHBondContact O-N 3.19Å; M196-L199 PolarHBondContact O-N 3.36Å; M196-R200 VanDerWaalsContact O-CB 3.3Å; M196-R200 WeakPolarHBondContact O-CB 3.3Å; M196-R200 PolarHBondContact O-N 2.96Å |
| 197 | S | 91.1 | Very high | 90.2 | Very high | 64 Ų | 64 | 109.6 Ų | 109.6 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.4 | 77.3 | 0 | 0 | 0 | 0 | 112.3 | D193 M194 R200 S201 | D193-S197 PolarHBondContact O-N 3.42Å; M194-S197 PolarHBondContact O-N 3.04Å; M194-S197 PolarHBondContact O-OG 3.44Å; S197-R200 PolarHBondContact O-N 2.88Å; S197-S201 WeakPolarHBondContact O-CB 3.33Å; S197-S201 PolarHBondContact O-N 3.48Å; S197-S201 PolarHBondContact O-OG 3.3Å |
| 198 | F | 90.8 | Very high | 90.5 | Very high | 156 Ų | 156 | 108.8 Ų | 108.8 | 68% | 0.684 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -48.5 | 175.9 | -174.7 | -95.2 | 0 | 0 | 0 | 111 | M194 R195 M196 R200 S201 G202 | M194-F198 PolarHBondContact O-N 3.41Å; R195-F198 PolarHBondContact O-N 3.41Å; M196-F198 PolarHBondContact O-N 3.19Å; F198-R200 PolarHBondContact O-N 2.85Å; F198-S201 PolarHBondContact O-N 2.92Å; F198-S201 PolarHBondContact O-OG 3.45Å; F198-G202 PolarHBondContact O-N 3.38Å |
| 199 | L | 91.5 | Very high | 90.7 | Very high | 117 Ų | 117 | 110.2 Ų | 110.2 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 176.4 | -69.1 | 170.8 | 0 | 0 | 0 | 111.6 | R195 M196 S201 G202 V203 | R195-L199 VanDerWaalsContact O-CG 3.3Å; R195-L199 WeakPolarHBondContact O-CG 3.39Å; R195-L199 PolarHBondContact O-N 3.29Å; M196-L199 PolarHBondContact O-N 3.36Å; L199-S201 VanDerWaalsContact C-N 3.35Å; L199-S201 PolarHBondContact O-N 3.23Å; L199-G202 PolarHBondContact O-N 3.49Å; L199-V203 WeakPolarHBondContact O-CG2 3.37Å; L199-V203 PolarHBondContact O-N 2.77Å |
| 200 | R | 92.6 | Very high | 90.8 | Very high | 193 Ų | 193 | 109 Ų | 109 | 73% | 0.728 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -42.9 | 177.2 | -168.9 | 178.8 | -163.1 | -89.7 | -1.3 | 111.9 | M196 S197 F198 V203 Q204 | M196-R200 VanDerWaalsContact O-CB 3.3Å; M196-R200 WeakPolarHBondContact O-CB 3.3Å; M196-R200 PolarHBondContact O-N 2.96Å; S197-R200 PolarHBondContact O-N 2.88Å; F198-R200 PolarHBondContact O-N 2.85Å; R200-V203 PolarHBondContact O-N 2.95Å; R200-Q204 WeakPolarHBondContact O-CB 3.48Å; R200-Q204 PolarHBondContact O-N 3.46Å |
| 201 | S | 91.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 106.1 Ų | 106.1 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 177.1 | 76.3 | 0 | 0 | 0 | 0 | 112.5 | S197 F198 L199 K205 | S197-S201 WeakPolarHBondContact O-CB 3.33Å; S197-S201 PolarHBondContact O-N 3.48Å; S197-S201 PolarHBondContact O-OG 3.3Å; F198-S201 PolarHBondContact O-N 2.92Å; F198-S201 PolarHBondContact O-OG 3.45Å; L199-S201 VanDerWaalsContact C-N 3.35Å; L199-S201 PolarHBondContact O-N 3.23Å; S201-K205 WeakPolarHBondContact O-CG 3.38Å; S201-K205 PolarHBondContact O-N 3.25Å; S201-K205 VanDerWaalsContact O-N 3.09Å |
| 202 | G | 93.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 111.6 Ų | 111.6 | 30% | 0.299 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F198 L199 K205 M206 | F198-G202 PolarHBondContact O-N 3.38Å; L199-G202 PolarHBondContact O-N 3.49Å; G202-K205 PolarHBondContact O-N 2.93Å; G202-M206 PolarHBondContact O-N 3.09Å |
| 203 | V | 92.5 | Very high | 89.8 | Confident | 94 Ų | 94 | 113.6 Ų | 113.6 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L199 R200 K205 M206 Y207 | L199-V203 WeakPolarHBondContact O-CG2 3.37Å; L199-V203 PolarHBondContact O-N 2.77Å; R200-V203 PolarHBondContact O-N 2.95Å; V203-K205 PolarHBondContact O-N 3.46Å; V203-M206 PolarHBondContact O-N 3.45Å; V203-Y207 PolarHBondContact O-N 3.5Å |
| 204 | Q | 91.6 | Very high | 89.1 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 178.6 | -171 | 66.2 | 25.2 | 0 | 0 | 112.1 | R200 M206 Y207 D208 | R200-Q204 WeakPolarHBondContact O-CB 3.48Å; R200-Q204 PolarHBondContact O-N 3.46Å; Q204-M206 VanDerWaalsContact C-N 3.35Å; Q204-M206 PolarHBondContact O-N 2.97Å; Q204-Y207 PolarHBondContact O-N 3.44Å; Q204-D208 PolarHBondContact NE2-OD1 3.17Å; Q204-D208 VanDerWaalsContact O-CG 3.28Å; Q204-D208 PolarHBondContact O-N 3.07Å |
| 205 | K | 91 | Very high | 88 | Confident | 147 Ų | 147 | 118.9 Ų | 118.9 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.7 | -42 | 176.3 | -75.5 | 178.2 | -178.9 | -178.8 | 0 | 112.4 | S201 G202 V203 Y207 D208 E209 | S201-K205 WeakPolarHBondContact O-CG 3.38Å; S201-K205 PolarHBondContact O-N 3.25Å; S201-K205 VanDerWaalsContact O-N 3.09Å; G202-K205 PolarHBondContact O-N 2.93Å; V203-K205 PolarHBondContact O-N 3.46Å; K205-Y207 VanDerWaalsContact C-N 3.34Å; K205-D208 PolarHBondContact O-N 3.46Å; K205-E209 WeakPolarHBondContact O-CB 3.38Å; K205-E209 PolarHBondContact O-N 3.22Å |
| 206 | M | 90.1 | Very high | 86.5 | Confident | 133 Ų | 133 | 118 Ų | 118 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.2 | -40.2 | 176 | -79.7 | -168.8 | -82.4 | 0 | 0 | 112 | G202 V203 Q204 E209 D210 | G202-M206 PolarHBondContact O-N 3.09Å; V203-M206 PolarHBondContact O-N 3.45Å; Q204-M206 VanDerWaalsContact C-N 3.35Å; Q204-M206 PolarHBondContact O-N 2.97Å; M206-E209 PolarHBondContact O-N 3.06Å; M206-D210 PolarHBondContact O-N 3.09Å; M206-D210 VanDerWaalsContact O-N 3.09Å |
| 207 | Y | 90.4 | Very high | 86.2 | Confident | 151 Ų | 151 | 118.7 Ų | 118.7 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.6 | -44.9 | 176.8 | -172.8 | -96 | 0 | 0 | 0 | 112.5 | V203 Q204 K205 E209 D210 N211 | V203-Y207 PolarHBondContact O-N 3.5Å; Q204-Y207 PolarHBondContact O-N 3.44Å; K205-Y207 VanDerWaalsContact C-N 3.34Å; Y207-E209 VanDerWaalsContact C-N 3.3Å; Y207-E209 PolarHBondContact O-N 3.27Å; Y207-D210 PolarHBondContact O-N 3.04Å; Y207-N211 WeakPolarHBondContact O-CB 3.45Å; Y207-N211 PolarHBondContact O-N 3.01Å |
| 208 | D | 89.8 | Confident | 86 | Confident | 82 Ų | 82 | 121.6 Ų | 121.6 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -33.1 | 179.3 | -65.8 | -17.6 | 0 | 0 | 0 | 112 | Q204 K205 R212 | Q204-D208 PolarHBondContact NE2-OD1 3.17Å; Q204-D208 VanDerWaalsContact O-CG 3.28Å; Q204-D208 PolarHBondContact O-N 3.07Å; K205-D208 PolarHBondContact O-N 3.46Å; D208-R212 WeakPolarHBondContact O-CB 3.4Å; D208-R212 PolarHBondContact O-N 3.15Å; D208-R212 VanDerWaalsContact O-N 3.07Å |
| 209 | E | 87.9 | Confident | 85.7 | Confident | 111 Ų | 111 | 119.7 Ų | 119.7 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -74.9 | -37.3 | 177.9 | -165.9 | 167.5 | 165.5 | 0 | 0 | 112.8 | K205 M206 Y207 R212 K213 | K205-E209 WeakPolarHBondContact O-CB 3.38Å; K205-E209 PolarHBondContact O-N 3.22Å; M206-E209 PolarHBondContact O-N 3.06Å; Y207-E209 VanDerWaalsContact C-N 3.3Å; Y207-E209 PolarHBondContact O-N 3.27Å; E209-R212 PolarHBondContact O-N 3.25Å; E209-K213 WeakPolarHBondContact O-CG 3.46Å; E209-K213 PolarHBondContact O-N 3.36Å; E209-K213 VanDerWaalsContact O-N 3.15Å; E209-K213 IonicContact OE1-NZ 3.96Å |
| 210 | D | 86.6 | Confident | 85.4 | Confident | 87 Ų | 87 | 119.8 Ų | 119.8 | 47% | 0.465 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.9 | -45.1 | 172.1 | -171 | 62.1 | 0 | 0 | 0 | 111.4 | M206 Y207 R212 K213 Q214 | M206-D210 PolarHBondContact O-N 3.09Å; M206-D210 VanDerWaalsContact O-N 3.09Å; Y207-D210 PolarHBondContact O-N 3.04Å; D210-R212 VanDerWaalsContact C-N 3.31Å; D210-R212 PolarHBondContact O-N 3.41Å; D210-K213 PolarHBondContact O-N 3.5Å; D210-Q214 PolarHBondContact O-N 3.27Å; D210-Q214 VanDerWaalsContact O-N 3.15Å |
| 211 | N | 84.3 | Confident | 84.9 | Confident | 69 Ų | 69 | 115.3 Ų | 115.3 | 37% | 0.369 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.4 | -39.6 | 176.9 | -166.2 | 45.1 | 0 | 0 | 0 | 111.8 | Y207 K213 Q214 H215 | Y207-N211 WeakPolarHBondContact O-CB 3.45Å; Y207-N211 PolarHBondContact O-N 3.01Å; N211-K213 VanDerWaalsContact C-N 3.31Å; N211-K213 PolarHBondContact O-N 3.4Å; N211-Q214 PolarHBondContact O-N 3.4Å; N211-H215 PolarHBondContact O-CD2 3.15Å; N211-H215 VanDerWaalsContact O-CD2 3.25Å; N211-H215 PolarHBondContact O-N 3.42Å |
| 212 | R | 83.4 | Confident | 84.5 | Confident | 187 Ų | 187 | 119.4 Ų | 119.4 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.4 | -37.6 | 174.6 | -169 | -168.4 | -61.6 | -116.4 | 0.5 | 112.1 | D208 E209 D210 Q214 H215 V216 | D208-R212 WeakPolarHBondContact O-CB 3.4Å; D208-R212 PolarHBondContact O-N 3.15Å; D208-R212 VanDerWaalsContact O-N 3.07Å; E209-R212 PolarHBondContact O-N 3.25Å; D210-R212 VanDerWaalsContact C-N 3.31Å; D210-R212 PolarHBondContact O-N 3.41Å; R212-Q214 VanDerWaalsContact C-N 3.31Å; R212-Q214 PolarHBondContact O-N 3.4Å; R212-H215 PolarHBondContact O-N 3.07Å; R212-V216 WeakPolarHBondContact O-CG2 3.5Å |
| 213 | K | 79.4 | Confident | 83.8 | Confident | 141 Ų | 141 | 125.9 Ų | 125.9 | 61% | 0.613 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.1 | -23.5 | 178.5 | -73.3 | 175.5 | -175.5 | 174.5 | 0 | 113.4 | E209 D210 N211 | E209-K213 WeakPolarHBondContact O-CG 3.46Å; E209-K213 PolarHBondContact O-N 3.36Å; E209-K213 VanDerWaalsContact O-N 3.15Å; E209-K213 IonicContact OE1-NZ 3.96Å; D210-K213 PolarHBondContact O-N 3.5Å; N211-K213 VanDerWaalsContact C-N 3.31Å; N211-K213 PolarHBondContact O-N 3.4Å |
| 214 | Q | 77.2 | Confident | 83.2 | Confident | 140 Ų | 140 | 128.3 Ų | 128.3 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81.4 | -19.9 | 175.4 | -68.9 | -175.1 | 4.6 | 0 | 0 | 113.5 | D210 N211 R212 | D210-Q214 PolarHBondContact O-N 3.27Å; D210-Q214 VanDerWaalsContact O-N 3.15Å; N211-Q214 PolarHBondContact O-N 3.4Å; R212-Q214 VanDerWaalsContact C-N 3.31Å; R212-Q214 PolarHBondContact O-N 3.4Å |
| 215 | H | 68.7 | Low | 82.5 | Confident | 152 Ų | 152 | 131.3 Ų | 131.3 | 70% | 0.704 | 62% | 0.618 | S | S | * | * | trans | -99 | 4.9 | -178.9 | -76.3 | -69.2 | 0 | 0 | 0 | 114.5 | N211 R212 | N211-H215 PolarHBondContact O-CD2 3.15Å; N211-H215 VanDerWaalsContact O-CD2 3.25Å; N211-H215 PolarHBondContact O-N 3.42Å; R212-H215 PolarHBondContact O-N 3.07Å | ||
| 216 | V | 60.8 | Low | 81.7 | Confident | 176 Ų | 176 | 129.9 Ų | 129.9 | 100% | 1.067 | 62% | 0.617 | S | S | * | * | trans | -116.2 | 0 | 174 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | R212 | R212-V216 WeakPolarHBondContact O-CG2 3.5Š|
Retrieved 216 of 216 residues in 143.6 ms
(Link to these results)