| 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 | 46.9 | Very low | 60.8 | Low | 229 Ų | 229 | 104.1 Ų | 104.1 | 100% | 1.128 | 58% | 0.583 | S | S | * | * | 0 | -2.2 | 0 | -71.8 | 176.5 | 179.7 | 0 | 0 | 115.2 | |||||
| 2 | A | 48.7 | Very low | 61.7 | Low | 92 Ų | 92 | 100.1 Ų | 100.1 | 76% | 0.76 | 57% | 0.573 | S | S | * | * | trans | -82 | -18.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N4 G5 | A2-N4 PolarHBondContact O-N 3.05Å; A2-G5 PolarHBondContact O-N 3.49Å | ||
| 3 | S | 57.4 | Low | 62.7 | Low | 77 Ų | 77 | 104.5 Ų | 104.5 | 54% | 0.538 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.9 | -30.7 | -175 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | G5 L6 | S3-G5 VanDerWaalsContact C-N 3.29Å; S3-G5 PolarHBondContact O-N 2.92Å; S3-L6 PolarHBondContact O-N 2.99Å |
| 4 | N | 60.7 | Low | 63.3 | Low | 104 Ų | 104 | 100.2 Ų | 100.2 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.5 | -25.1 | -178 | -65.4 | -17.4 | 0 | 0 | 0 | 112.7 | A2 R8 | A2-N4 PolarHBondContact O-N 3.05Å; N4-R8 WeakPolarHBondContact O-CB 3.17Å; N4-R8 WeakPolarHBondContact O-CG 3.42Å; N4-R8 PolarHBondContact O-N 3.34Å |
| 5 | G | 60.6 | Low | 64.1 | Low | 47 Ų | 47 | 100.7 Ų | 100.7 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.5 | -40.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2 S3 R8 A9 | A2-G5 PolarHBondContact O-N 3.49Å; S3-G5 VanDerWaalsContact C-N 3.29Å; S3-G5 PolarHBondContact O-N 2.92Å; G5-R8 PolarHBondContact O-N 2.07Å; G5-A9 WeakPolarHBondContact O-CB 3.27Å; G5-A9 PolarHBondContact O-N 3.16Å |
| 6 | L | 62.4 | Low | 64.8 | Low | 119 Ų | 119 | 100.9 Ų | 100.9 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.4 | -39.1 | -177.2 | -153.6 | 146.6 | 0 | 0 | 0 | 111.5 | S3 A9 Y10 | S3-L6 PolarHBondContact O-N 2.99Å; L6-A9 PolarHBondContact O-N 3.19Å; L6-Y10 HydrophobicContact CD2-CD2 4.04Å; L6-Y10 WeakPolarHBondContact O-CB 3.31Å; L6-Y10 PolarHBondContact O-N 2.9Å |
| 7 | V | 63.4 | Low | 65.3 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.6 | -42.3 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | Y10 A11 | V7-Y10 PolarHBondContact O-N 2.84Å; V7-A11 WeakPolarHBondContact O-CB 3.13Å; V7-A11 PolarHBondContact O-N 2.9Å |
| 8 | R | 65.9 | Low | 65.5 | Low | 197 Ų | 197 | 101.4 Ų | 101.4 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 175.2 | -77.4 | -179.5 | 177.7 | -168.5 | -0 | 112.3 | N4 G5 Y10 A11 A12 | N4-R8 WeakPolarHBondContact O-CB 3.17Å; N4-R8 WeakPolarHBondContact O-CG 3.42Å; N4-R8 PolarHBondContact O-N 3.34Å; G5-R8 PolarHBondContact O-N 2.07Å; R8-Y10 VanDerWaalsContact C-N 3.34Å; R8-A11 PolarHBondContact O-N 2.84Å; R8-A12 WeakPolarHBondContact O-CB 3.29Å; R8-A12 PolarHBondContact O-N 3.4Å |
| 9 | A | 68.4 | Low | 65.7 | Low | 52 Ų | 52 | 99.3 Ų | 99.3 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G5 L6 A12 R13 | G5-A9 WeakPolarHBondContact O-CB 3.27Å; G5-A9 PolarHBondContact O-N 3.16Å; L6-A9 PolarHBondContact O-N 3.19Å; A9-A12 PolarHBondContact O-N 3.36Å; A9-R13 WeakPolarHBondContact O-CG 3.39Å; A9-R13 PolarHBondContact O-N 2.83Å |
| 10 | Y | 67.9 | Low | 66 | Low | 137 Ų | 137 | 98.3 Ų | 98.3 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 174.9 | -118.5 | -86.7 | 0 | 0 | 0 | 111.9 | L6 V7 R8 A12 R13 V14 | L6-Y10 HydrophobicContact CD2-CD2 4.04Å; L6-Y10 WeakPolarHBondContact O-CB 3.31Å; L6-Y10 PolarHBondContact O-N 2.9Å; V7-Y10 PolarHBondContact O-N 2.84Å; R8-Y10 VanDerWaalsContact C-N 3.34Å; Y10-A12 VanDerWaalsContact C-N 3.34Å; Y10-A12 PolarHBondContact O-N 2.58Å; Y10-R13 PolarHBondContact O-N 2.85Å; Y10-V14 WeakPolarHBondContact O-CG2 3.4Å; Y10-V14 PolarHBondContact O-N 3.38Å |
| 11 | A | 67.1 | Low | 66 | Low | 27 Ų | 27 | 94.9 Ų | 94.9 | 22% | 0.223 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V7 R8 R13 V14 I15 F48 | V7-A11 WeakPolarHBondContact O-CB 3.13Å; V7-A11 PolarHBondContact O-N 2.9Å; R8-A11 PolarHBondContact O-N 2.84Å; A11-R13 VanDerWaalsContact C-N 3.33Å; A11-R13 PolarHBondContact O-N 2.66Å; A11-V14 PolarHBondContact O-N 2.73Å; A11-I15 VanDerWaalsContact O-CG1 3.25Å; A11-I15 WeakPolarHBondContact O-CG1 3.29Å; A11-I15 PolarHBondContact O-N 2.95Å; A11-F48 HydrophobicContact CB-CE1 3.91Å; A11-F48 HydrophobicContact CB-CZ 3.93Å |
| 12 | A | 71.1 | Confident | 66.9 | Low | 56 Ų | 56 | 89.1 Ų | 89.1 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R8 A9 Y10 I15 L16 | R8-A12 WeakPolarHBondContact O-CB 3.29Å; R8-A12 PolarHBondContact O-N 3.4Å; A9-A12 PolarHBondContact O-N 3.36Å; Y10-A12 VanDerWaalsContact C-N 3.34Å; Y10-A12 PolarHBondContact O-N 2.58Å; A12-I15 PolarHBondContact O-N 3.35Å; A12-L16 WeakPolarHBondContact O-CB 3.26Å; A12-L16 PolarHBondContact O-N 3Å |
| 13 | R | 74.1 | Confident | 67.9 | Low | 157 Ų | 157 | 91.5 Ų | 91.5 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 173.8 | -76.7 | 178.8 | 178.7 | 179.4 | 0.3 | 111.5 | A9 Y10 A11 I15 L16 W17 | A9-R13 WeakPolarHBondContact O-CG 3.39Å; A9-R13 PolarHBondContact O-N 2.83Å; Y10-R13 PolarHBondContact O-N 2.85Å; A11-R13 VanDerWaalsContact C-N 3.33Å; A11-R13 PolarHBondContact O-N 2.66Å; R13-I15 VanDerWaalsContact C-N 3.32Å; R13-I15 PolarHBondContact O-N 3.48Å; R13-L16 WeakPolarHBondContact O-CB 3.22Å; R13-L16 PolarHBondContact O-N 3.28Å; R13-W17 PolarHBondContact O-N 3Å |
| 14 | V | 72.3 | Confident | 68.3 | Low | 45 Ų | 45 | 90 Ų | 90 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 177.1 | 173 | 0 | 0 | 0 | 0 | 110.1 | Y10 A11 L16 W17 C18 | Y10-V14 WeakPolarHBondContact O-CG2 3.4Å; Y10-V14 PolarHBondContact O-N 3.38Å; A11-V14 PolarHBondContact O-N 2.73Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 3.33Å; V14-W17 PolarHBondContact O-N 3.49Å; V14-W17 VanDerWaalsContact O-N 3.15Å; V14-C18 PolarHBondContact O-N 3.5Å; V14-C18 PolarHBondContact O-SG 3.4Å |
| 15 | I | 75 | Confident | 68.4 | Low | 107 Ų | 107 | 87.5 Ų | 87.5 | 55% | 0.549 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.3 | -66.4 | 163.3 | 0 | 0 | 0 | 111.2 | A11 A12 R13 C18 T19 | A11-I15 VanDerWaalsContact O-CG1 3.25Å; A11-I15 WeakPolarHBondContact O-CG1 3.29Å; A11-I15 PolarHBondContact O-N 2.95Å; A12-I15 PolarHBondContact O-N 3.35Å; R13-I15 VanDerWaalsContact C-N 3.32Å; R13-I15 PolarHBondContact O-N 3.48Å; I15-C18 VanDerWaalsContact O-CB 3.3Å; I15-C18 WeakPolarHBondContact O-CB 3.38Å; I15-C18 PolarHBondContact O-N 3.26Å; I15-T19 HydrophobicContact CG2-CG2 4.47Å; I15-T19 WeakPolarHBondContact O-CG2 3.16Å; I15-T19 PolarHBondContact O-N 2.97Å; I15-T19 PolarHBondContact O-OG1 3.49Å |
| 16 | L | 75.7 | Confident | 68.3 | Low | 105 Ų | 105 | 88.7 Ų | 88.7 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.9 | -173.7 | 72.2 | 0 | 0 | 0 | 111.7 | A12 R13 V14 C18 T19 V20 | A12-L16 WeakPolarHBondContact O-CB 3.26Å; A12-L16 PolarHBondContact O-N 3Å; R13-L16 WeakPolarHBondContact O-CB 3.22Å; R13-L16 PolarHBondContact O-N 3.28Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 3.33Å; L16-C18 VanDerWaalsContact C-N 3.32Å; L16-C18 PolarHBondContact O-N 2.92Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-N 3.08Å; L16-T19 PolarHBondContact O-OG1 2.94Å; L16-V20 HydrophobicContact CG-CG2 4.48Å; L16-V20 WeakPolarHBondContact O-CB 3.22Å; L16-V20 VanDerWaalsContact O-CG2 3.22Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 2.94Å |
| 17 | W | 72.7 | Confident | 68.4 | Low | 190 Ų | 190 | 88.1 Ų | 88.1 | 72% | 0.72 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -37.9 | 174.3 | -76.7 | 106.7 | 0 | 0 | 0 | 111.5 | R13 V14 A21 | R13-W17 PolarHBondContact O-N 3Å; V14-W17 PolarHBondContact O-N 3.49Å; V14-W17 VanDerWaalsContact O-N 3.15Å; W17-A21 WeakPolarHBondContact O-CB 3.4Å; W17-A21 PolarHBondContact O-N 3.05Å |
| 18 | C | 68 | Low | 68.2 | Low | 21 Ų | 21 | 88.8 Ų | 88.8 | 14% | 0.142 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 172.5 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | V14 I15 L16 A21 L22 M41 | V14-C18 PolarHBondContact O-N 3.5Å; V14-C18 PolarHBondContact O-SG 3.4Å; I15-C18 VanDerWaalsContact O-CB 3.3Å; I15-C18 WeakPolarHBondContact O-CB 3.38Å; I15-C18 PolarHBondContact O-N 3.26Å; L16-C18 VanDerWaalsContact C-N 3.32Å; L16-C18 PolarHBondContact O-N 2.92Å; C18-A21 PolarHBondContact O-N 3.46Å; C18-L22 WeakPolarHBondContact O-CB 3.29Å; C18-L22 VanDerWaalsContact O-CG 3.24Å; C18-L22 WeakPolarHBondContact O-CG 3.33Å; C18-L22 PolarHBondContact O-N 3.46Å; C18-M41 HydrophobicContact CB-CE 3.6Å; C18-M41 WeakPolarHBondContact SG-CE 3.34Å |
| 19 | T | 69.9 | Low | 68.2 | Low | 60 Ų | 60 | 86 Ų | 86 | 37% | 0.368 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.7 | -40 | -176.4 | 53.9 | 0 | 0 | 0 | 0 | 112 | I15 L16 A21 L22 L23 | I15-T19 HydrophobicContact CG2-CG2 4.47Å; I15-T19 WeakPolarHBondContact O-CG2 3.16Å; I15-T19 PolarHBondContact O-N 2.97Å; I15-T19 PolarHBondContact O-OG1 3.49Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-N 3.08Å; L16-T19 PolarHBondContact O-OG1 2.94Å; T19-A21 VanDerWaalsContact C-N 3.34Å; T19-L22 PolarHBondContact O-N 3.44Å; T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 2.87Å |
| 20 | V | 71.1 | Confident | 68.2 | Low | 80 Ų | 80 | 88.2 Ų | 88.2 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L16 L23 G24 | L16-V20 HydrophobicContact CG-CG2 4.48Å; L16-V20 WeakPolarHBondContact O-CB 3.22Å; L16-V20 VanDerWaalsContact O-CG2 3.22Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 2.94Å; V20-L23 PolarHBondContact O-N 3.4Å; V20-G24 PolarHBondContact O-N 3.43Å |
| 21 | A | 66.9 | Low | 68.3 | Low | 27 Ų | 27 | 87.8 Ų | 87.8 | 22% | 0.223 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W17 C18 T19 L23 G24 Y25 | W17-A21 WeakPolarHBondContact O-CB 3.4Å; W17-A21 PolarHBondContact O-N 3.05Å; C18-A21 PolarHBondContact O-N 3.46Å; T19-A21 VanDerWaalsContact C-N 3.34Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.91Å; A21-G24 CarbonylContact O-C 3.59Å; A21-G24 PolarHBondContact O-N 2.82Å; A21-G24 VanDerWaalsContact O-N 3.12Å; A21-Y25 HydrophobicContact CB-CD2 4.22Å; A21-Y25 HydrophobicContact CB-CE2 3.65Å; A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 WeakPolarHBondContact O-CD2 3.46Å; A21-Y25 WeakPolarHBondContact O-CE2 3.24Å; A21-Y25 VanDerWaalsContact O-CG 3.31Å; A21-Y25 PolarHBondContact O-N 3.02Å |
| 22 | L | 65.7 | Low | 68.5 | Low | 107 Ų | 107 | 95.8 Ų | 95.8 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -39.6 | 175.4 | -73.4 | 169.5 | 0 | 0 | 0 | 113.2 | C18 T19 Y25 G26 | C18-L22 WeakPolarHBondContact O-CB 3.29Å; C18-L22 VanDerWaalsContact O-CG 3.24Å; C18-L22 WeakPolarHBondContact O-CG 3.33Å; C18-L22 PolarHBondContact O-N 3.46Å; T19-L22 PolarHBondContact O-N 3.44Å; L22-Y25 PolarHBondContact O-N 3.33Å; L22-G26 PolarHBondContact O-N 3.47Å |
| 23 | L | 68.8 | Low | 68.4 | Low | 143 Ų | 143 | 95.9 Ų | 95.9 | 75% | 0.749 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -38.7 | 174.3 | -77 | 163.8 | 0 | 0 | 0 | 111.9 | T19 V20 A21 | T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 2.87Å; V20-L23 PolarHBondContact O-N 3.4Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.91Å |
| 24 | G | 66.5 | Low | 68.2 | Low | 46 Ų | 46 | 91.7 Ų | 91.7 | 47% | 0.474 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.5 | -32.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V20 A21 G26 S27 | V20-G24 PolarHBondContact O-N 3.43Å; A21-G24 CarbonylContact O-C 3.59Å; A21-G24 PolarHBondContact O-N 2.82Å; A21-G24 VanDerWaalsContact O-N 3.12Å; G24-G26 VanDerWaalsContact C-N 3.27Å; G24-G26 PolarHBondContact O-N 2.95Å; G24-S27 PolarHBondContact O-N 3.47Å |
| 25 | Y | 62.4 | Low | 68.1 | Low | 51 Ų | 51 | 94 Ų | 94 | 20% | 0.2 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66.3 | -26.1 | 179 | -79.5 | -51.9 | 0 | 0 | 0 | 113.5 | A21 L22 S27 L28 M34 C37 | A21-Y25 HydrophobicContact CB-CD2 4.22Å; A21-Y25 HydrophobicContact CB-CE2 3.65Å; A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 WeakPolarHBondContact O-CD2 3.46Å; A21-Y25 WeakPolarHBondContact O-CE2 3.24Å; A21-Y25 VanDerWaalsContact O-CG 3.31Å; A21-Y25 PolarHBondContact O-N 3.02Å; L22-Y25 PolarHBondContact O-N 3.33Å; Y25-S27 PolarHBondContact O-N 3.23Å; Y25-L28 HydrophobicContact CD1-CD1 3.7Å; Y25-L28 HydrophobicContact CE1-CD1 4Å; Y25-L28 PolarHBondContact O-N 3Å; Y25-M34 VanDerWaalsContact CB-SD 3.53Å; Y25-M34 HydrophobicContact CD1-SD 3.72Å; Y25-M34 HydrophobicContact CG-SD 3.91Å; Y25-M34 VanDerWaalsContact O-CE 3.3Å; Y25-M34 WeakPolarHBondContact O-CE 3.46Å; Y25-C37 HydrophobicContact CD1-CB 4.24Å; Y25-C37 HydrophobicContact CE1-CB 3.39Å; Y25-C37 WeakPolarHBondContact CE1-SG 3.39Å; Y25-C37 HydrophobicContact CE2-CB 3.79Å; Y25-C37 WeakPolarHBondContact OH-CB 3.45Å; Y25-C37 PolarHBondContact OH-SG 2.91Å |
| 26 | G | 60 | Low | 67.9 | Low | 71 Ų | 71 | 96.4 Ų | 96.4 | 73% | 0.732 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -19.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L22 G24 | L22-G26 PolarHBondContact O-N 3.47Å; G24-G26 VanDerWaalsContact C-N 3.27Å; G24-G26 PolarHBondContact O-N 2.95Å |
| 27 | S | 63.4 | Low | 67.5 | Low | 108 Ų | 108 | 92.1 Ų | 92.1 | 76% | 0.755 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -9.2 | 178.6 | -165.6 | 0 | 0 | 0 | 0 | 114.3 | G24 Y25 | G24-S27 PolarHBondContact O-N 3.47Å; Y25-S27 PolarHBondContact O-N 3.23Å |
| 28 | L | 60.4 | Low | 67.5 | Low | 77 Ų | 77 | 90.2 Ų | 90.2 | 40% | 0.403 | 50% | 0.498 | S | S | . | . | trans | -93.9 | 105.1 | -177.5 | -76.6 | 157.1 | 0 | 0 | 0 | 110 | Y25 N30 V33 M34 | Y25-L28 HydrophobicContact CD1-CD1 3.7Å; Y25-L28 HydrophobicContact CE1-CD1 4Å; Y25-L28 PolarHBondContact O-N 3Å; L28-N30 PolarHBondContact O-N 2.91Å; L28-V33 HydrophobicContact CD1-CG1 4.23Å; L28-M34 HydrophobicContact CB-SD 4.33Å | ||
| 29 | T | 65.5 | Low | 67.9 | Low | 138 Ų | 138 | 93 Ų | 93 | 85% | 0.847 | 51% | 0.514 | S | S | * | . | trans | -70.8 | -5.9 | 177.7 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | L31 | T29-L31 PolarHBondContact O-N 3.47Š| ||
| 30 | N | 68.5 | Low | 68.1 | Low | 100 Ų | 100 | 92.7 Ų | 92.7 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | trans | -87.3 | 100.6 | -178.4 | -83.4 | -64.4 | 0 | 0 | 0 | 111.8 | L28 R32 V33 M34 | L28-N30 PolarHBondContact O-N 2.91Å; N30-R32 PolarHBondContact O-N 2.92Å; N30-R32 VanDerWaalsContact O-N 3.08Å; N30-V33 HydrophobicContact CB-CB 4.18Å; N30-V33 HydrophobicContact CB-CG2 3.78Å; N30-V33 WeakPolarHBondContact O-CB 3.44Å; N30-V33 PolarHBondContact O-N 3.3Å; N30-M34 PolarHBondContact O-N 3.27Å | ||
| 31 | L | 69.9 | Low | 68.3 | Low | 127 Ų | 127 | 91.4 Ų | 91.4 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -50.2 | -35.5 | 177.3 | -163.7 | 82.6 | 0 | 0 | 0 | 113.3 | T29 M34 Q35 | T29-L31 PolarHBondContact O-N 3.47Å; L31-M34 PolarHBondContact O-N 2.82Å; L31-Q35 WeakPolarHBondContact O-CG 3.38Å; L31-Q35 PolarHBondContact O-N 2.93Å |
| 32 | R | 71.4 | Confident | 68.6 | Low | 196 Ų | 196 | 92.5 Ų | 92.5 | 74% | 0.74 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.2 | -37.4 | 178.8 | -66.1 | -62.4 | -168.8 | -179.4 | 3.9 | 113 | N30 Q35 F36 | N30-R32 PolarHBondContact O-N 2.92Å; N30-R32 VanDerWaalsContact O-N 3.08Å; R32-Q35 PolarHBondContact O-N 3.39Å; R32-F36 PolarHBondContact O-N 3.45Å |
| 33 | V | 68.8 | Low | 69.2 | Low | 57 Ų | 57 | 91.9 Ų | 91.9 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | L28 N30 Q35 F36 C37 | L28-V33 HydrophobicContact CD1-CG1 4.23Å; N30-V33 HydrophobicContact CB-CB 4.18Å; N30-V33 HydrophobicContact CB-CG2 3.78Å; N30-V33 WeakPolarHBondContact O-CB 3.44Å; N30-V33 PolarHBondContact O-N 3.3Å; V33-Q35 VanDerWaalsContact C-N 3.32Å; V33-Q35 PolarHBondContact O-N 2.91Å; V33-F36 PolarHBondContact O-N 3.24Å; V33-C37 WeakPolarHBondContact O-CB 3.44Å; V33-C37 PolarHBondContact O-N 3.48Å; V33-C37 PolarHBondContact O-SG 3.44Å |
| 34 | M | 68.6 | Low | 69.5 | Low | 70 Ų | 70 | 87.5 Ų | 87.5 | 35% | 0.345 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 175.3 | -61.3 | -67.8 | -92.2 | 0 | 0 | 112.1 | Y25 L28 N30 L31 F38 | Y25-M34 VanDerWaalsContact CB-SD 3.53Å; Y25-M34 HydrophobicContact CD1-SD 3.72Å; Y25-M34 HydrophobicContact CG-SD 3.91Å; Y25-M34 VanDerWaalsContact O-CE 3.3Å; Y25-M34 WeakPolarHBondContact O-CE 3.46Å; L28-M34 HydrophobicContact CB-SD 4.33Å; N30-M34 PolarHBondContact O-N 3.27Å; L31-M34 PolarHBondContact O-N 2.82Å; M34-F38 WeakPolarHBondContact O-CB 3.39Å; M34-F38 PolarHBondContact O-N 2.91Å |
| 35 | Q | 70.6 | Confident | 69.9 | Low | 93 Ų | 93 | 88.1 Ų | 88.1 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 176.9 | -75.6 | 176.5 | -15.2 | 0 | 0 | 112.2 | L31 R32 V33 C37 F38 V39 | L31-Q35 WeakPolarHBondContact O-CG 3.38Å; L31-Q35 PolarHBondContact O-N 2.93Å; R32-Q35 PolarHBondContact O-N 3.39Å; V33-Q35 VanDerWaalsContact C-N 3.32Å; V33-Q35 PolarHBondContact O-N 2.91Å; Q35-C37 VanDerWaalsContact C-N 3.26Å; Q35-C37 PolarHBondContact O-N 3.35Å; Q35-F38 PolarHBondContact O-N 2.84Å; Q35-V39 VanDerWaalsContact O-CG2 3.29Å; Q35-V39 WeakPolarHBondContact O-CG2 3.46Å; Q35-V39 PolarHBondContact O-N 2.81Å |
| 36 | F | 71.3 | Confident | 70.5 | Confident | 158 Ų | 158 | 91.2 Ų | 91.2 | 69% | 0.693 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.9 | -44 | 179.8 | -176 | -94.6 | 0 | 0 | 0 | 111.3 | R32 V33 V39 S40 | R32-F36 PolarHBondContact O-N 3.45Å; V33-F36 PolarHBondContact O-N 3.24Å; F36-V39 PolarHBondContact O-N 2.97Å; F36-S40 PolarHBondContact O-N 3.19Å; F36-S40 PolarHBondContact O-OG 3.36Å |
| 37 | C | 68.1 | Low | 71.2 | Confident | 15 Ų | 15 | 92.8 Ų | 92.8 | 10% | 0.101 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -69.3 | -39.3 | -179.7 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | Y25 V33 Q35 V39 S40 M41 | Y25-C37 HydrophobicContact CD1-CB 4.24Å; Y25-C37 HydrophobicContact CE1-CB 3.39Å; Y25-C37 WeakPolarHBondContact CE1-SG 3.39Å; Y25-C37 HydrophobicContact CE2-CB 3.79Å; Y25-C37 WeakPolarHBondContact OH-CB 3.45Å; Y25-C37 PolarHBondContact OH-SG 2.91Å; V33-C37 WeakPolarHBondContact O-CB 3.44Å; V33-C37 PolarHBondContact O-N 3.48Å; V33-C37 PolarHBondContact O-SG 3.44Å; Q35-C37 VanDerWaalsContact C-N 3.26Å; Q35-C37 PolarHBondContact O-N 3.35Å; C37-V39 VanDerWaalsContact C-N 3.31Å; C37-V39 PolarHBondContact O-N 3.49Å; C37-S40 WeakPolarHBondContact CA-OG 3.36Å; C37-S40 PolarHBondContact O-N 3.41Å; C37-S40 PolarHBondContact O-OG 3.39Å; C37-M41 WeakPolarHBondContact O-CB 3.26Å; C37-M41 WeakPolarHBondContact O-CG 3.43Å; C37-M41 PolarHBondContact O-N 2.94Å |
| 38 | F | 72.3 | Confident | 71.6 | Confident | 149 Ų | 149 | 90.8 Ų | 90.8 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 174.5 | -164.8 | -92.6 | 0 | 0 | 0 | 111.5 | M34 Q35 M41 A42 | M34-F38 WeakPolarHBondContact O-CB 3.39Å; M34-F38 PolarHBondContact O-N 2.91Å; Q35-F38 PolarHBondContact O-N 2.84Å; F38-M41 PolarHBondContact O-N 3.33Å; F38-A42 WeakPolarHBondContact O-CB 3.33Å; F38-A42 PolarHBondContact O-N 2.9Å |
| 39 | V | 75.2 | Confident | 72.1 | Confident | 81 Ų | 81 | 93.9 Ų | 93.9 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111 | Q35 F36 C37 M41 A42 I43 | Q35-V39 VanDerWaalsContact O-CG2 3.29Å; Q35-V39 WeakPolarHBondContact O-CG2 3.46Å; Q35-V39 PolarHBondContact O-N 2.81Å; F36-V39 PolarHBondContact O-N 2.97Å; C37-V39 VanDerWaalsContact C-N 3.31Å; C37-V39 PolarHBondContact O-N 3.49Å; V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 PolarHBondContact O-N 2.92Å; V39-A42 PolarHBondContact O-N 2.91Å; V39-I43 HydrophobicContact CG1-CD1 3.73Å; V39-I43 HydrophobicContact CG1-CG1 4.41Å; V39-I43 VanDerWaalsContact O-CG1 3.26Å; V39-I43 WeakPolarHBondContact O-CG1 3.41Å; V39-I43 PolarHBondContact O-N 3.45Å |
| 40 | S | 75.3 | Confident | 72.5 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 177.9 | 63.6 | 0 | 0 | 0 | 0 | 112 | F36 C37 I43 A44 | F36-S40 PolarHBondContact O-N 3.19Å; F36-S40 PolarHBondContact O-OG 3.36Å; C37-S40 WeakPolarHBondContact CA-OG 3.36Å; C37-S40 PolarHBondContact O-N 3.41Å; C37-S40 PolarHBondContact O-OG 3.39Å; S40-I43 PolarHBondContact O-N 3.43Å; S40-A44 WeakPolarHBondContact O-CB 3.44Å; S40-A44 PolarHBondContact O-N 3.21Å |
| 41 | M | 75.1 | Confident | 72.8 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 26% | 0.261 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 175.5 | -70.1 | -56.2 | -61.1 | 0 | 0 | 112 | C18 C37 F38 V39 I43 A44 C45 | C18-M41 HydrophobicContact CB-CE 3.6Å; C18-M41 WeakPolarHBondContact SG-CE 3.34Å; C37-M41 WeakPolarHBondContact O-CB 3.26Å; C37-M41 WeakPolarHBondContact O-CG 3.43Å; C37-M41 PolarHBondContact O-N 2.94Å; F38-M41 PolarHBondContact O-N 3.33Å; V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 PolarHBondContact O-N 2.92Å; M41-I43 PolarHBondContact O-N 3.42Å; M41-A44 PolarHBondContact O-N 3.45Å; M41-C45 WeakPolarHBondContact O-CB 3.37Å; M41-C45 PolarHBondContact O-N 2.91Å; M41-C45 PolarHBondContact O-SG 3.4Å; M41-C45 VanDerWaalsContact O-SG 3.38Å |
| 42 | A | 73.6 | Confident | 72.7 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 42% | 0.421 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F38 V39 C45 F46 | F38-A42 WeakPolarHBondContact O-CB 3.33Å; F38-A42 PolarHBondContact O-N 2.9Å; V39-A42 PolarHBondContact O-N 2.91Å; A42-C45 PolarHBondContact O-N 3.46Å; A42-F46 WeakPolarHBondContact O-CB 3.04Å; A42-F46 PolarHBondContact O-N 3.49Å |
| 43 | I | 78 | Confident | 72.6 | Confident | 94 Ų | 94 | 81.5 Ų | 81.5 | 48% | 0.482 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.9 | -66.5 | 165.3 | 0 | 0 | 0 | 110.4 | V39 S40 M41 C45 F46 L47 | V39-I43 HydrophobicContact CG1-CD1 3.73Å; V39-I43 HydrophobicContact CG1-CG1 4.41Å; V39-I43 VanDerWaalsContact O-CG1 3.26Å; V39-I43 WeakPolarHBondContact O-CG1 3.41Å; V39-I43 PolarHBondContact O-N 3.45Å; S40-I43 PolarHBondContact O-N 3.43Å; M41-I43 PolarHBondContact O-N 3.42Å; I43-C45 PolarHBondContact O-N 2.96Å; I43-F46 PolarHBondContact O-N 3.35Å; I43-L47 HydrophobicContact CG2-CD1 4.01Å; I43-L47 HydrophobicContact CG2-CG 4.36Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.35Å |
| 44 | A | 74.4 | Confident | 72.3 | Confident | 50 Ų | 50 | 83.7 Ų | 83.7 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | S40 M41 L47 F48 | S40-A44 WeakPolarHBondContact O-CB 3.44Å; S40-A44 PolarHBondContact O-N 3.21Å; M41-A44 PolarHBondContact O-N 3.45Å; A44-L47 PolarHBondContact O-N 3.44Å; A44-F48 WeakPolarHBondContact O-CB 3.16Å; A44-F48 PolarHBondContact O-N 2.93Å |
| 45 | C | 74.8 | Confident | 72.2 | Confident | 60 Ų | 60 | 87.5 Ų | 87.5 | 41% | 0.405 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 174.8 | -75.8 | 0 | 0 | 0 | 0 | 112.2 | M41 A42 I43 F48 Y49 | M41-C45 WeakPolarHBondContact O-CB 3.37Å; M41-C45 PolarHBondContact O-N 2.91Å; M41-C45 PolarHBondContact O-SG 3.4Å; M41-C45 VanDerWaalsContact O-SG 3.38Å; A42-C45 PolarHBondContact O-N 3.46Å; I43-C45 PolarHBondContact O-N 2.96Å; C45-F48 PolarHBondContact O-N 2.91Å; C45-Y49 WeakPolarHBondContact O-CB 3.39Å; C45-Y49 PolarHBondContact O-N 3.4Å |
| 46 | F | 75.5 | Confident | 71.8 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 50% | 0.504 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 178.1 | -178.6 | -98.6 | 0 | 0 | 0 | 112 | A42 I43 F48 Y49 R50 | A42-F46 WeakPolarHBondContact O-CB 3.04Å; A42-F46 PolarHBondContact O-N 3.49Å; I43-F46 PolarHBondContact O-N 3.35Å; F46-F48 VanDerWaalsContact C-N 3.34Å; F46-F48 PolarHBondContact O-N 2.92Å; F46-Y49 PolarHBondContact O-N 2.87Å; F46-R50 HydrophobicContact CD1-CG 4.21Å; F46-R50 HydrophobicContact CE1-CG 3.83Å; F46-R50 HydrophobicContact CE2-CG 4.47Å; F46-R50 HydrophobicContact CZ-CG 3.98Å; F46-R50 WeakPolarHBondContact O-CG 3.29Å; F46-R50 PolarHBondContact O-N 3.35Å |
| 47 | L | 75.1 | Confident | 71.2 | Confident | 104 Ų | 104 | 86 Ų | 86 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176 | -69.4 | 174.7 | 0 | 0 | 0 | 111.1 | I43 A44 Y49 R50 V51 | I43-L47 HydrophobicContact CG2-CD1 4.01Å; I43-L47 HydrophobicContact CG2-CG 4.36Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.35Å; A44-L47 PolarHBondContact O-N 3.44Å; L47-Y49 PolarHBondContact O-N 3.19Å; L47-R50 PolarHBondContact O-N 2.92Å; L47-V51 WeakPolarHBondContact O-CB 3.34Å; L47-V51 VanDerWaalsContact O-CG2 3.24Å; L47-V51 WeakPolarHBondContact O-CG2 3.41Å; L47-V51 PolarHBondContact O-N 3.49Å |
| 48 | F | 71.1 | Confident | 70.9 | Confident | 66 Ų | 66 | 91.8 Ų | 91.8 | 29% | 0.289 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.5 | -171.7 | -94.9 | 0 | 0 | 0 | 112.5 | A11 A44 C45 F46 V51 T52 | A11-F48 HydrophobicContact CB-CE1 3.91Å; A11-F48 HydrophobicContact CB-CZ 3.93Å; A44-F48 WeakPolarHBondContact O-CB 3.16Å; A44-F48 PolarHBondContact O-N 2.93Å; C45-F48 PolarHBondContact O-N 2.91Å; F46-F48 VanDerWaalsContact C-N 3.34Å; F46-F48 PolarHBondContact O-N 2.92Å; F48-V51 PolarHBondContact O-N 3.42Å; F48-T52 WeakPolarHBondContact O-CB 3.29Å; F48-T52 PolarHBondContact O-N 3.45Å; F48-T52 PolarHBondContact O-OG1 2.89Å |
| 49 | Y | 71.8 | Confident | 70.2 | Confident | 142 Ų | 142 | 88.6 Ų | 88.6 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.1 | -47.2 | 175.3 | -178.3 | -99.7 | 0 | 0 | 0 | 111.4 | C45 F46 L47 V51 T52 E53 | C45-Y49 WeakPolarHBondContact O-CB 3.39Å; C45-Y49 PolarHBondContact O-N 3.4Å; F46-Y49 PolarHBondContact O-N 2.87Å; L47-Y49 PolarHBondContact O-N 3.19Å; Y49-V51 VanDerWaalsContact C-N 3.35Å; Y49-V51 PolarHBondContact O-N 3.39Å; Y49-T52 PolarHBondContact O-N 3.45Å; Y49-E53 HydrophobicContact CD1-CG 4.23Å; Y49-E53 HydrophobicContact CE1-CG 3.8Å; Y49-E53 HydrophobicContact CE2-CG 4.3Å; Y49-E53 WeakPolarHBondContact O-CG 3.18Å; Y49-E53 PolarHBondContact O-N 3.24Å |
| 50 | R | 73.4 | Confident | 69.4 | Low | 144 Ų | 144 | 91.3 Ų | 91.3 | 54% | 0.543 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.3 | -75.5 | -63.1 | -154.7 | 179.3 | 6.9 | 112.3 | F46 L47 T52 E53 L54 | F46-R50 HydrophobicContact CD1-CG 4.21Å; F46-R50 HydrophobicContact CE1-CG 3.83Å; F46-R50 HydrophobicContact CE2-CG 4.47Å; F46-R50 HydrophobicContact CZ-CG 3.98Å; F46-R50 WeakPolarHBondContact O-CG 3.29Å; F46-R50 PolarHBondContact O-N 3.35Å; L47-R50 PolarHBondContact O-N 2.92Å; R50-T52 VanDerWaalsContact C-N 3.34Å; R50-E53 PolarHBondContact O-N 3.4Å; R50-L54 WeakPolarHBondContact O-CB 3.43Å; R50-L54 VanDerWaalsContact O-CG 3.29Å; R50-L54 WeakPolarHBondContact O-CG 3.16Å; R50-L54 PolarHBondContact O-N 2.95Å |
| 51 | V | 73.9 | Confident | 68.7 | Low | 66 Ų | 66 | 95.3 Ų | 95.3 | 40% | 0.4 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | L47 F48 Y49 E53 L54 Y55 | L47-V51 WeakPolarHBondContact O-CB 3.34Å; L47-V51 VanDerWaalsContact O-CG2 3.24Å; L47-V51 WeakPolarHBondContact O-CG2 3.41Å; L47-V51 PolarHBondContact O-N 3.49Å; F48-V51 PolarHBondContact O-N 3.42Å; Y49-V51 VanDerWaalsContact C-N 3.35Å; Y49-V51 PolarHBondContact O-N 3.39Å; V51-E53 PolarHBondContact O-N 2.93Å; V51-L54 PolarHBondContact O-N 3.49Å; V51-Y55 HydrophobicContact CG1-CD2 3.48Å; V51-Y55 VanDerWaalsContact CG1-CD2 3.48Å; V51-Y55 HydrophobicContact CG1-CE2 3.38Å; V51-Y55 WeakPolarHBondContact O-CD2 3.35Å; V51-Y55 PolarHBondContact O-N 3.46Å |
| 52 | T | 67.6 | Low | 67.9 | Low | 35 Ų | 35 | 98.2 Ų | 98.2 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63 | -42 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | F48 Y49 R50 Y55 K56 | F48-T52 WeakPolarHBondContact O-CB 3.29Å; F48-T52 PolarHBondContact O-N 3.45Å; F48-T52 PolarHBondContact O-OG1 2.89Å; Y49-T52 PolarHBondContact O-N 3.45Å; R50-T52 VanDerWaalsContact C-N 3.34Å; T52-Y55 PolarHBondContact O-N 3.19Å; T52-K56 WeakPolarHBondContact O-CG 3.34Å; T52-K56 PolarHBondContact O-N 3.44Å |
| 53 | E | 70.5 | Confident | 67.3 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 175.2 | -72.9 | -62.6 | 126.7 | 0 | 0 | 111.8 | Y49 R50 V51 Y55 K56 L57 | Y49-E53 HydrophobicContact CD1-CG 4.23Å; Y49-E53 HydrophobicContact CE1-CG 3.8Å; Y49-E53 HydrophobicContact CE2-CG 4.3Å; Y49-E53 WeakPolarHBondContact O-CG 3.18Å; Y49-E53 PolarHBondContact O-N 3.24Å; R50-E53 PolarHBondContact O-N 3.4Å; V51-E53 PolarHBondContact O-N 2.93Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 3Å; E53-K56 PolarHBondContact O-N 3.5Å; E53-K56 IonicContact OE1-NZ 2.84Å; E53-K56 PolarHBondContact OE1-NZ 2.87Å; E53-L57 PolarHBondContact O-N 3.38Å |
| 54 | L | 63.1 | Low | 66.4 | Low | 102 Ų | 102 | 98 Ų | 98 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 172.8 | -74.7 | 164.5 | 0 | 0 | 0 | 112.2 | R50 V51 L57 K58 | R50-L54 WeakPolarHBondContact O-CB 3.43Å; R50-L54 VanDerWaalsContact O-CG 3.29Å; R50-L54 WeakPolarHBondContact O-CG 3.16Å; R50-L54 PolarHBondContact O-N 2.95Å; V51-L54 PolarHBondContact O-N 3.49Å; L54-L57 PolarHBondContact O-N 3.44Å; L54-K58 PolarHBondContact O-N 2.98Å |
| 55 | Y | 65 | Low | 65.7 | Low | 150 Ų | 150 | 100.8 Ų | 100.8 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 174.4 | -90.7 | -72.7 | 0 | 0 | 0 | 111.6 | V51 T52 E53 K58 V59 | V51-Y55 HydrophobicContact CG1-CD2 3.48Å; V51-Y55 VanDerWaalsContact CG1-CD2 3.48Å; V51-Y55 HydrophobicContact CG1-CE2 3.38Å; V51-Y55 WeakPolarHBondContact O-CD2 3.35Å; V51-Y55 PolarHBondContact O-N 3.46Å; T52-Y55 PolarHBondContact O-N 3.19Å; E53-Y55 VanDerWaalsContact C-N 3.32Å; E53-Y55 PolarHBondContact O-N 3Å; Y55-K58 PolarHBondContact O-N 3.27Å; Y55-V59 WeakPolarHBondContact O-CB 3.44Å; Y55-V59 WeakPolarHBondContact O-CG2 3.39Å; Y55-V59 PolarHBondContact O-N 2.87Å |
| 56 | K | 62.7 | Low | 64.9 | Low | 121 Ų | 121 | 100.4 Ų | 100.4 | 53% | 0.526 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.4 | -73.9 | 178.6 | -173.5 | 166 | 0 | 111.7 | T52 E53 V59 Q60 | T52-K56 WeakPolarHBondContact O-CG 3.34Å; T52-K56 PolarHBondContact O-N 3.44Å; E53-K56 PolarHBondContact O-N 3.5Å; E53-K56 IonicContact OE1-NZ 2.84Å; E53-K56 PolarHBondContact OE1-NZ 2.87Å; K56-V59 PolarHBondContact O-N 3.38Å; K56-Q60 WeakPolarHBondContact O-CB 3.44Å; K56-Q60 PolarHBondContact O-N 2.92Å |
| 57 | L | 59.8 | Low | 64.1 | Low | 99 Ų | 99 | 99.9 Ų | 99.9 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.9 | -76.4 | 159.9 | 0 | 0 | 0 | 111.5 | E53 L54 V59 Q60 E61 | E53-L57 PolarHBondContact O-N 3.38Å; L54-L57 PolarHBondContact O-N 3.44Å; L57-V59 PolarHBondContact O-N 3.04Å; L57-Q60 PolarHBondContact O-N 3.25Å; L57-E61 PolarHBondContact O-N 3.05Å |
| 58 | K | 60.3 | Low | 63.2 | Low | 136 Ų | 136 | 100.4 Ų | 100.4 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -37.8 | 177.6 | -75.2 | -167.7 | 174.6 | -175.2 | 0 | 113.4 | L54 Y55 Q60 E61 I62 | L54-K58 PolarHBondContact O-N 2.98Å; Y55-K58 PolarHBondContact O-N 3.27Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-E61 PolarHBondContact O-N 2.96Å; K58-I62 WeakPolarHBondContact O-CD1 3.44Å; K58-I62 VanDerWaalsContact O-CG1 3.26Å; K58-I62 WeakPolarHBondContact O-CG1 3.24Å; K58-I62 PolarHBondContact O-N 3.5Å |
| 59 | V | 58.7 | Low | 62.5 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | Y55 K56 L57 I62 L63 | Y55-V59 WeakPolarHBondContact O-CB 3.44Å; Y55-V59 WeakPolarHBondContact O-CG2 3.39Å; Y55-V59 PolarHBondContact O-N 2.87Å; K56-V59 PolarHBondContact O-N 3.38Å; L57-V59 PolarHBondContact O-N 3.04Å; V59-I62 PolarHBondContact O-N 3.21Å; V59-L63 WeakPolarHBondContact O-CB 3.38Å; V59-L63 PolarHBondContact O-N 3.5Å |
| 60 | Q | 58.7 | Low | 61.7 | Low | 139 Ų | 139 | 103.6 Ų | 103.6 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.8 | -38.2 | 176 | -169.6 | 175.2 | -11 | 0 | 0 | 112.2 | K56 L57 K58 G64 | K56-Q60 WeakPolarHBondContact O-CB 3.44Å; K56-Q60 PolarHBondContact O-N 2.92Å; L57-Q60 PolarHBondContact O-N 3.25Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; Q60-G64 PolarHBondContact O-N 3.14Å |
| 61 | E | 59.3 | Low | 60.7 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 172.5 | -74.7 | -177.2 | 162 | 0 | 0 | 112 | L57 K58 L63 G64 I65 | L57-E61 PolarHBondContact O-N 3.05Å; K58-E61 PolarHBondContact O-N 2.96Å; E61-L63 PolarHBondContact O-N 3.35Å; E61-G64 PolarHBondContact O-N 3.28Å; E61-I65 VanDerWaalsContact O-CG1 3.29Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.36Å |
| 62 | I | 59.2 | Low | 59.7 | Low | 115 Ų | 115 | 108.8 Ų | 108.8 | 59% | 0.59 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 177.6 | -65.3 | 164.2 | 0 | 0 | 0 | 111 | K58 V59 G64 I65 A66 | K58-I62 WeakPolarHBondContact O-CD1 3.44Å; K58-I62 VanDerWaalsContact O-CG1 3.26Å; K58-I62 WeakPolarHBondContact O-CG1 3.24Å; K58-I62 PolarHBondContact O-N 3.5Å; V59-I62 PolarHBondContact O-N 3.21Å; I62-G64 VanDerWaalsContact C-N 3.35Å; I62-I65 PolarHBondContact O-N 2.82Å; I62-A66 WeakPolarHBondContact O-CB 3.49Å; I62-A66 PolarHBondContact O-N 2.86Å |
| 63 | L | 59.7 | Low | 58.5 | Low | 104 Ų | 104 | 110.8 Ų | 110.8 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.4 | -36.5 | 175.5 | -173.1 | 65.8 | 0 | 0 | 0 | 111.5 | V59 E61 A66 L67 | V59-L63 WeakPolarHBondContact O-CB 3.38Å; V59-L63 PolarHBondContact O-N 3.5Å; E61-L63 PolarHBondContact O-N 3.35Å; L63-A66 PolarHBondContact O-N 3.39Å; L63-L67 HydrophobicContact CG-CD1 4.43Å; L63-L67 WeakPolarHBondContact O-CB 3.3Å; L63-L67 PolarHBondContact O-N 3.18Å |
| 64 | G | 60.2 | Low | 57.5 | Low | 35 Ų | 35 | 112.5 Ų | 112.5 | 36% | 0.361 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.8 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q60 E61 I62 L67 L68 | Q60-G64 PolarHBondContact O-N 3.14Å; E61-G64 PolarHBondContact O-N 3.28Å; I62-G64 VanDerWaalsContact C-N 3.35Å; G64-L67 PolarHBondContact O-N 2.89Å; G64-L68 VanDerWaalsContact O-CB 3.29Å; G64-L68 WeakPolarHBondContact O-CB 2.83Å; G64-L68 PolarHBondContact O-N 3.06Å |
| 65 | I | 59.8 | Low | 56.5 | Low | 110 Ų | 110 | 114.7 Ų | 114.7 | 56% | 0.564 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.1 | -39.5 | 176 | -63.4 | 161.2 | 0 | 0 | 0 | 111 | E61 I62 L68 L69 | E61-I65 VanDerWaalsContact O-CG1 3.29Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.36Å; I62-I65 PolarHBondContact O-N 2.82Å; I65-L68 PolarHBondContact O-N 2.9Å; I65-L69 HydrophobicContact CG2-CD1 4.44Å; I65-L69 PolarHBondContact O-N 3.15Å |
| 66 | A | 57.2 | Low | 55.5 | Low | 52 Ų | 52 | 117.7 Ų | 117.7 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I62 L63 L69 E70 | I62-A66 WeakPolarHBondContact O-CB 3.49Å; I62-A66 PolarHBondContact O-N 2.86Å; L63-A66 PolarHBondContact O-N 3.39Å; A66-L69 PolarHBondContact O-N 3Å; A66-E70 PolarHBondContact O-N 3.42Å |
| 67 | L | 58.2 | Low | 54.6 | Low | 103 Ų | 103 | 121.2 Ų | 121.2 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.1 | -37.7 | 174.5 | -102.8 | 156.5 | 0 | 0 | 0 | 112.5 | L63 G64 L69 E70 H71 | L63-L67 HydrophobicContact CG-CD1 4.43Å; L63-L67 WeakPolarHBondContact O-CB 3.3Å; L63-L67 PolarHBondContact O-N 3.18Å; G64-L67 PolarHBondContact O-N 2.89Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-E70 PolarHBondContact O-N 2.93Å; L67-H71 PolarHBondContact O-N 2.89Å |
| 68 | L | 57.1 | Low | 53.8 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 60% | 0.602 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.1 | -33.2 | 177.3 | -145.1 | 155.3 | 0 | 0 | 0 | 111.2 | G64 I65 H72 | G64-L68 VanDerWaalsContact O-CB 3.29Å; G64-L68 WeakPolarHBondContact O-CB 2.83Å; G64-L68 PolarHBondContact O-N 3.06Å; I65-L68 PolarHBondContact O-N 2.9Å; L68-H72 PolarHBondContact O-N 2.9Å |
| 69 | L | 55.9 | Low | 53.1 | Low | 132 Ų | 132 | 124.6 Ų | 124.6 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.7 | -38.4 | 170.7 | -121.3 | 97.1 | 0 | 0 | 0 | 112.3 | I65 A66 L67 H71 H72 | I65-L69 HydrophobicContact CG2-CD1 4.44Å; I65-L69 PolarHBondContact O-N 3.15Å; A66-L69 PolarHBondContact O-N 3Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L69-H71 VanDerWaalsContact C-N 3.35Å; L69-H72 PolarHBondContact O-N 3.25Å |
| 70 | E | 54.5 | Low | 52.5 | Low | 143 Ų | 143 | 125.2 Ų | 125.2 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.1 | -30.1 | 179.7 | -147.3 | 169.4 | -167.6 | 0 | 0 | 111.9 | A66 L67 H72 S73 | A66-E70 PolarHBondContact O-N 3.42Å; L67-E70 PolarHBondContact O-N 2.93Å; E70-H72 VanDerWaalsContact C-N 3.32Å; E70-H72 PolarHBondContact O-N 2.97Å; E70-S73 PolarHBondContact O-OG 3.12Å; E70-S73 VanDerWaalsContact O-OG 3.08Å |
| 71 | H | 53 | Low | 51.9 | Low | 165 Ų | 165 | 122.8 Ų | 122.8 | 76% | 0.764 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -7.8 | 175.3 | -126.3 | 11.2 | 0 | 0 | 0 | 114.5 | L67 L69 | L67-H71 PolarHBondContact O-N 2.89Å; L69-H71 VanDerWaalsContact C-N 3.35Å |
| 72 | H | 52.3 | Low | 51.3 | Low | 154 Ų | 154 | 124.6 Ų | 124.6 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 3.3 | 176.4 | -100.3 | -69.8 | 0 | 0 | 0 | 113.9 | L68 L69 E70 | L68-H72 PolarHBondContact O-N 2.9Å; L69-H72 PolarHBondContact O-N 3.25Å; E70-H72 VanDerWaalsContact C-N 3.32Å; E70-H72 PolarHBondContact O-N 2.97Å |
| 73 | S | 43.7 | Very low | 50.6 | Low | 77 Ų | 77 | 128 Ų | 128 | 54% | 0.538 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -77.6 | 122.2 | 160.2 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | E70 | E70-S73 PolarHBondContact O-OG 3.12Å; E70-S73 VanDerWaalsContact O-OG 3.08Å |
| 74 | P | 48.2 | Very low | 49.6 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | trans | -69.4 | 136.1 | -160.5 | -9.3 | 26.7 | 0 | 0 | 0 | 110.5 | Y76 | P74-Y76 HydrophobicContact CB-CD2 3.32Å; P74-Y76 HydrophobicContact CB-CE2 4.05Å; P74-Y76 HydrophobicContact CB-CG 4.19Å; P74-Y76 HydrophobicContact CG-CD2 4.49Å; P74-Y76 PolarHBondContact O-N 2.85Å | ||
| 75 | D | 42.3 | Very low | 48.9 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -63.3 | 44.1 | 162.4 | -71.1 | -52.7 | 0 | 0 | 0 | 112.4 | F77 | D75-F77 VanDerWaalsContact C-N 3.32Š|
| 76 | Y | 44.5 | Very low | 48.2 | Very low | 212 Ų | 212 | 136.8 Ų | 136.8 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | trans | -95.7 | 18.8 | 174 | -81.6 | -99.4 | 0 | 0 | 0 | 112.2 | P74 | P74-Y76 HydrophobicContact CB-CD2 3.32Å; P74-Y76 HydrophobicContact CB-CE2 4.05Å; P74-Y76 HydrophobicContact CB-CG 4.19Å; P74-Y76 HydrophobicContact CG-CD2 4.49Å; P74-Y76 PolarHBondContact O-N 2.85Å | ||
| 77 | F | 44.4 | Very low | 48 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -141.1 | 38.8 | -175.5 | -124.8 | -84.5 | 0 | 0 | 0 | 112.7 | D75 | D75-F77 VanDerWaalsContact C-N 3.32Š|
| 78 | S | 42.3 | Very low | 47.5 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -157.4 | 1.2 | 171.1 | -84.8 | 0 | 0 | 0 | 0 | 118.1 | ||
| 79 | E | 46.2 | Very low | 47 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -104.4 | 90.1 | 163.6 | -87.4 | 172 | 138 | 0 | 0 | 108.9 | P81 | E79-P81 WeakPolarHBondContact O-CD 3.47Š| ||
| 80 | A | 45.9 | Very low | 46.8 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -69.6 | 107.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | D82 | A80-D82 PolarHBondContact O-N 3.39Š| ||
| 81 | P | 46.3 | Very low | 46.2 | Very low | 89 Ų | 89 | 150 Ų | 150 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | trans | -72.2 | 126.4 | 166.8 | 32 | -28.7 | 0 | 0 | 0 | 106 | E79 R83 | E79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-R83 HydrophobicContact CB-CB 4.36Å; P81-R83 HydrophobicContact CB-CG 4.06Å; P81-R83 HydrophobicContact CG-CB 4.42Å; P81-R83 HydrophobicContact CG-CG 4.46Å; P81-R83 PolarHBondContact O-N 3.4Å | ||
| 82 | D | 45.5 | Very low | 45.8 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | trans | -58.4 | 68.5 | 157.7 | -82.6 | -35.6 | 0 | 0 | 0 | 109.3 | A80 | A80-D82 PolarHBondContact O-N 3.39Š| ||
| 83 | R | 46 | Very low | 45.6 | Very low | 186 Ų | 186 | 149 Ų | 149 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | -106.1 | 90 | 172.6 | -88.1 | -173 | -173.2 | -172.7 | 5.5 | 106.1 | P81 F85 | P81-R83 HydrophobicContact CB-CB 4.36Å; P81-R83 HydrophobicContact CB-CG 4.06Å; P81-R83 HydrophobicContact CG-CB 4.42Å; P81-R83 HydrophobicContact CG-CG 4.46Å; P81-R83 PolarHBondContact O-N 3.4Å; R83-F85 HydrophobicContact CB-CD2 3.9Å; R83-F85 HydrophobicContact CG-CD2 4.18Å; R83-F85 HydrophobicContact CG-CE2 4.39Å; R83-F85 PolarHBondContact O-N 3.33Å | ||
| 84 | S | 38 | Very low | 46 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -39.6 | 93.9 | 140.8 | 56 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 85 | F | 45.6 | Very low | 46 | Very low | 143 Ų | 143 | 157.3 Ų | 157.3 | 63% | 0.627 | 80% | 0.801 | S | S | * | * | trans | -132.2 | 101.4 | 168.7 | -103.2 | -97.1 | 0 | 0 | 0 | 106.2 | R83 Q87 | R83-F85 HydrophobicContact CB-CD2 3.9Å; R83-F85 HydrophobicContact CG-CD2 4.18Å; R83-F85 HydrophobicContact CG-CE2 4.39Å; R83-F85 PolarHBondContact O-N 3.33Å; F85-Q87 PolarHBondContact O-N 2.96Å | ||
| 86 | D | 46.1 | Very low | 46.2 | Very low | 174 Ų | 174 | 155.8 Ų | 155.8 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -41.6 | 91.3 | 151.9 | -86.6 | -46.6 | 0 | 0 | 0 | 109.2 | ||||
| 87 | Q | 51.1 | Low | 46.4 | Very low | 154 Ų | 154 | 154.5 Ų | 154.5 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -158.8 | 64.3 | 170.1 | -137.5 | 167.7 | 32.7 | 0 | 0 | 109.8 | F85 | F85-Q87 PolarHBondContact O-N 2.96Š| ||
| 88 | H | 48.9 | Very low | 46.5 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | trans | -124.4 | 28.3 | 174.3 | -96.5 | -32.4 | 0 | 0 | 0 | 113 | ||||
| 89 | S | 47.2 | Very low | 46.8 | Very low | 95 Ų | 95 | 149 Ų | 149 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -123.2 | 1.2 | -172.6 | 57.6 | 0 | 0 | 0 | 0 | 118.4 | ||
| 90 | D | 50 | Low | 46.8 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -132.7 | 21.6 | -173.1 | -65.6 | -47.6 | 0 | 0 | 0 | 115.7 | ||
| 91 | Y | 43.1 | Very low | 47 | Very low | 232 Ų | 232 | 150.2 Ų | 150.2 | 91% | 0.91 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -125.6 | 58.4 | 173.4 | -74.3 | -81.9 | 0 | 0 | 0 | 111.5 | ||
| 92 | L | 44.7 | Very low | 46.8 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -153.8 | 130.7 | 163.3 | -119.6 | 104.7 | 0 | 0 | 0 | 106.9 | ||
| 93 | D | 48.8 | Very low | 46.7 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 92.2 | 26 | 167.8 | -60.2 | -19 | 0 | 0 | 0 | 121.5 | E95 | D93-E95 VanDerWaalsContact C-N 3.29Å; D93-E95 PolarHBondContact O-N 2.9Å | ||
| 94 | D | 50.9 | Low | 46.8 | Very low | 172 Ų | 172 | 150 Ų | 150 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | trans | -91.5 | 75.1 | 149.8 | -81.5 | -28.8 | 0 | 0 | 0 | 109.4 | C96 | D94-C96 VanDerWaalsContact C-N 3.33Å; D94-C96 PolarHBondContact O-N 2.93Å | ||
| 95 | E | 47.5 | Very low | 47.2 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -59.8 | 93.5 | 169 | -160.5 | 170.6 | 172.8 | 0 | 0 | 108.3 | D93 Q97 | D93-E95 VanDerWaalsContact C-N 3.29Å; D93-E95 PolarHBondContact O-N 2.9Å; E95-Q97 VanDerWaalsContact C-N 3.35Å; E95-Q97 PolarHBondContact O-N 3.32Å | ||
| 96 | C | 47.6 | Very low | 47.1 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -56.7 | 98.5 | 170.2 | -113.3 | 0 | 0 | 0 | 0 | 108.6 | D94 C98 | D94-C96 VanDerWaalsContact C-N 3.33Å; D94-C96 PolarHBondContact O-N 2.93Å; C96-C98 VanDerWaalsContact C-N 3.27Å; C96-C98 PolarHBondContact O-N 3.08Å | ||
| 97 | Q | 49.4 | Very low | 47.1 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -67.1 | 88.3 | 168.4 | -76.6 | -177.5 | 13.5 | 0 | 0 | 108.6 | E95 S99 | E95-Q97 VanDerWaalsContact C-N 3.35Å; E95-Q97 PolarHBondContact O-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.34Å | ||
| 98 | C | 46.6 | Very low | 47.1 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | trans | -69.8 | 94.8 | 166 | -68.5 | 0 | 0 | 0 | 0 | 108.2 | C96 V100 | C96-C98 VanDerWaalsContact C-N 3.27Å; C96-C98 PolarHBondContact O-N 3.08Å; C98-V100 PolarHBondContact O-N 3.17Å; C98-V100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | S | 46.7 | Very low | 47.1 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -66.5 | 112.1 | 168.7 | 63.4 | 0 | 0 | 0 | 0 | 108.6 | Q97 E101 | Q97-S99 PolarHBondContact O-N 3.34Å; S99-E101 VanDerWaalsContact C-N 3.28Å; S99-E101 PolarHBondContact O-N 3.37Å | ||
| 100 | V | 47.8 | Very low | 47.3 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -70.6 | 86.6 | 172.8 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | C98 | C98-V100 PolarHBondContact O-N 3.17Å; C98-V100 VanDerWaalsContact O-N 3.16Å | ||
| 101 | E | 49.3 | Very low | 47.1 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -101.1 | 100.9 | 164.7 | -72.7 | -158.7 | 153.8 | 0 | 0 | 109.3 | S99 K103 | S99-E101 VanDerWaalsContact C-N 3.28Å; S99-E101 PolarHBondContact O-N 3.37Å; E101-K103 PolarHBondContact O-N 3.46Å | ||
| 102 | D | 42.1 | Very low | 47.4 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -58.7 | 101.4 | 164.2 | -90.4 | -41.6 | 0 | 0 | 0 | 109.4 | ||||
| 103 | K | 44.4 | Very low | 47.6 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -163.9 | 106.2 | 150 | -117.1 | 166.3 | -178.9 | 177.5 | 0 | 115.6 | E101 | E101-K103 PolarHBondContact O-N 3.46Š| ||
| 104 | S | 46.9 | Very low | 47.7 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 40 | 104.4 | 135.3 | 64.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 105 | I | 46.9 | Very low | 47.7 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | 38.9 | 102.4 | 128.5 | -56.7 | 165.5 | 0 | 0 | 0 | 116 | |||||
| 106 | G | 42.5 | Very low | 47.7 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -153.1 | 115.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 107 | V | 47.4 | Very low | 47.8 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -80.1 | 116.8 | 179.1 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 108 | E | 51.5 | Low | 47.8 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -140 | 138.2 | 152.2 | -73.6 | -163.5 | 159.2 | 0 | 0 | 111.1 | D110 | E108-D110 PolarHBondContact O-N 2.9Š| ||
| 109 | E | 48.6 | Very low | 47.9 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -77.4 | 110.7 | -168.2 | -58.6 | 175 | 147.6 | 0 | 0 | 109.3 | ||||
| 110 | D | 50 | Low | 48 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 174.5 | 116.4 | 144.3 | -85.1 | -27.8 | 0 | 0 | 0 | 108.7 | E108 | E108-D110 PolarHBondContact O-N 2.9Š|
| 111 | S | 45.7 | Very low | 48.2 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 75.3 | 68.1 | 172 | -46.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 112 | L | 49.7 | Very low | 48.1 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | -126 | 93.1 | 167.5 | -80.2 | 158.3 | 0 | 0 | 0 | 111.7 | C114 C121 | L112-C114 VanDerWaalsContact C-N 3.28Å; L112-C114 WeakPolarHBondContact CD2-SG 3.39Å; L112-C114 PolarHBondContact O-N 3.33Å; L112-C121 HydrophobicContact CD2-CB 3.74Å | ||
| 113 | L | 49.6 | Very low | 48.5 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | trans | -81.4 | 75 | 161.9 | -79.1 | 168.6 | 0 | 0 | 0 | 109 | ||||
| 114 | C | 49.9 | Very low | 48.5 | Very low | 61 Ų | 61 | 130.1 Ų | 130.1 | 41% | 0.412 | 77% | 0.774 | S | S | . | * | trans | -92.2 | 108.4 | 175 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | L112 C121 | L112-C114 VanDerWaalsContact C-N 3.28Å; L112-C114 WeakPolarHBondContact CD2-SG 3.39Å; L112-C114 PolarHBondContact O-N 3.33Å; C114-C121 WeakPolarHBondContact CB-SG 3.41Å; C114-C121 WeakPolarHBondContact SG-CB 3.3Å; C114-C121 CovalentContact SG-SG 2.07Å; C114-C121 PolarHBondContact SG-SG 3.04Å | ||
| 115 | V | 51 | Low | 48.6 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -92.4 | 112.8 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 109 | S119 | V115-S119 VanDerWaalsContact O-CB 3.31Å; V115-S119 WeakPolarHBondContact O-CB 3.22Å; V115-S119 PolarHBondContact O-OG 3.27Å | ||
| 116 | G | 47.6 | Very low | 48.7 | Very low | 50 Ų | 50 | 129.6 Ų | 129.6 | 52% | 0.515 | 77% | 0.773 | S | S | . | * | S | Bend | trans | 103.6 | 138.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N118 S119 | G116-N118 PolarHBondContact O-N 3.05Å; G116-S119 PolarHBondContact O-N 3.36Å; G116-S119 PolarHBondContact O-OG 3.19Å |
| 117 | K | 50.6 | Low | 49 | Very low | 218 Ų | 218 | 132.6 Ų | 132.6 | 95% | 0.948 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 1.7 | -172.6 | -91.4 | 176.8 | 169.2 | 173 | 0 | 115.9 | ||
| 118 | N | 50.2 | Low | 49.1 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.6 | 18.4 | -174.3 | -88.3 | -8.2 | 0 | 0 | 0 | 113.8 | G116 | G116-N118 PolarHBondContact O-N 3.05Š|
| 119 | S | 48.3 | Very low | 48.9 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 46% | 0.455 | 77% | 0.765 | S | S | . | * | trans | -108.8 | 131.5 | -170.8 | -12.5 | 0 | 0 | 0 | 0 | 113.1 | V115 G116 | V115-S119 VanDerWaalsContact O-CB 3.31Å; V115-S119 WeakPolarHBondContact O-CB 3.22Å; V115-S119 PolarHBondContact O-OG 3.27Å; G116-S119 PolarHBondContact O-N 3.36Å; G116-S119 PolarHBondContact O-OG 3.19Å | ||
| 120 | V | 48.6 | Very low | 49 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 128.1 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 121 | C | 50.7 | Low | 48.9 | Very low | 67 Ų | 67 | 124.2 Ų | 124.2 | 45% | 0.453 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -99.4 | 119 | 170.6 | -42.6 | 0 | 0 | 0 | 0 | 107.3 | L112 C114 | L112-C121 HydrophobicContact CD2-CB 3.74Å; C114-C121 WeakPolarHBondContact CB-SG 3.41Å; C114-C121 WeakPolarHBondContact SG-CB 3.3Å; C114-C121 CovalentContact SG-SG 2.07Å; C114-C121 PolarHBondContact SG-SG 3.04Å |
| 122 | C | 48.6 | Very low | 49.1 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 132.2 | 171.5 | -71.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 123 | S | 50.1 | Low | 49.1 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 127.6 | 164.3 | -116.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 124 | C | 44 | Very low | 49 | Very low | 200 Ų | 200 | 119.4 Ų | 119.4 | 100% | 1.351 | 74% | 0.741 | S | S | * | * | trans | -80 | 0 | 158.9 | -62.9 | 0 | 0 | 0 | 0 | 110 |
Retrieved 124 of 124 residues in 52.4 ms
(Link to these results)