| 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 | 41 | Very low | 50.4 | Low | 199 Ų | 199 | 103.4 Ų | 103.4 | 98% | 0.98 | 55% | 0.548 | S | S | * | . | 0 | -61.4 | 0 | -64.7 | -74.1 | -118.9 | 0 | 0 | 112.1 | Y3 T4 L5 | M1-Y3 PolarHBondContact O-N 3.3Å; M1-T4 PolarHBondContact O-OG1 3.42Å; M1-L5 PolarHBondContact O-N 3.19Å | |||
| 2 | A | 44.7 | Very low | 50.9 | Low | 70 Ų | 70 | 101.5 Ų | 101.5 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.3 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L5 I6 | A2-L5 PolarHBondContact O-N 3.34Å; A2-I6 WeakPolarHBondContact O-CG1 3.26Å; A2-I6 PolarHBondContact O-N 3.3Å |
| 3 | Y | 48.1 | Very low | 51.5 | Low | 117 Ų | 117 | 97.8 Ų | 97.8 | 46% | 0.459 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | -178.9 | -171.4 | -90.2 | 0 | 0 | 0 | 113.5 | M1 L5 I6 C7 S26 | M1-Y3 PolarHBondContact O-N 3.3Å; Y3-L5 VanDerWaalsContact C-N 3.32Å; Y3-L5 PolarHBondContact O-N 3.44Å; Y3-I6 PolarHBondContact O-N 3.12Å; Y3-C7 PolarHBondContact O-N 2.88Å; Y3-C7 PolarHBondContact O-SG 3.07Å; Y3-S26 WeakPolarHBondContact OH-CB 3.44Å |
| 4 | T | 52.2 | Low | 51.7 | Low | 84 Ų | 84 | 103.6 Ų | 103.6 | 52% | 0.515 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.2 | -37.5 | 175.7 | 37.5 | 0 | 0 | 0 | 0 | 112.1 | M1 M8 | M1-T4 PolarHBondContact O-OG1 3.42Å; T4-M8 VanDerWaalsContact O-CG 3.24Å; T4-M8 WeakPolarHBondContact O-CG 3.5Å; T4-M8 PolarHBondContact O-N 3.25Å; T4-M8 VanDerWaalsContact O-N 3.08Å |
| 5 | L | 48.1 | Very low | 51.6 | Low | 111 Ų | 111 | 109.4 Ų | 109.4 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 175.1 | -92.9 | 157.9 | 0 | 0 | 0 | 112.4 | M1 A2 Y3 M8 L9 | M1-L5 PolarHBondContact O-N 3.19Å; A2-L5 PolarHBondContact O-N 3.34Å; Y3-L5 VanDerWaalsContact C-N 3.32Å; Y3-L5 PolarHBondContact O-N 3.44Å; L5-M8 PolarHBondContact O-N 3.2Å; L5-L9 WeakPolarHBondContact O-CB 3.4Å; L5-L9 PolarHBondContact O-N 3.27Å |
| 6 | I | 55.5 | Low | 51.7 | Low | 94 Ų | 94 | 116.4 Ų | 116.4 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.9 | -44.3 | 177.6 | -68.6 | 165.9 | 0 | 0 | 0 | 110.7 | A2 Y3 M8 L9 I10 | A2-I6 WeakPolarHBondContact O-CG1 3.26Å; A2-I6 PolarHBondContact O-N 3.3Å; Y3-I6 PolarHBondContact O-N 3.12Å; I6-M8 PolarHBondContact O-N 3.25Å; I6-L9 PolarHBondContact O-N 2.71Å; I6-I10 HydrophobicContact CG2-CD1 3.62Å; I6-I10 HydrophobicContact CG2-CG1 4.37Å; I6-I10 WeakPolarHBondContact O-CB 3.31Å; I6-I10 WeakPolarHBondContact O-CG1 3.07Å; I6-I10 PolarHBondContact O-N 3.46Å |
| 7 | C | 48.8 | Very low | 51.6 | Low | 46 Ų | 46 | 115.8 Ų | 115.8 | 31% | 0.311 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.1 | -41.3 | 175.9 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | Y3 I10 I11 | Y3-C7 PolarHBondContact O-N 2.88Å; Y3-C7 PolarHBondContact O-SG 3.07Å; C7-I10 PolarHBondContact O-N 3.5Å; C7-I11 WeakPolarHBondContact O-CB 3.06Å; C7-I11 WeakPolarHBondContact O-CD1 3.32Å; C7-I11 VanDerWaalsContact O-CG1 3.22Å; C7-I11 WeakPolarHBondContact O-CG1 3.24Å; C7-I11 PolarHBondContact O-N 3.34Å |
| 8 | M | 53.7 | Low | 51.9 | Low | 140 Ų | 140 | 112.5 Ų | 112.5 | 69% | 0.69 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.6 | -41.9 | 176.4 | -71 | -124.4 | -111.8 | 0 | 0 | 112.5 | T4 L5 I6 I11 A12 | T4-M8 VanDerWaalsContact O-CG 3.24Å; T4-M8 WeakPolarHBondContact O-CG 3.5Å; T4-M8 PolarHBondContact O-N 3.25Å; T4-M8 VanDerWaalsContact O-N 3.08Å; L5-M8 PolarHBondContact O-N 3.2Å; I6-M8 PolarHBondContact O-N 3.25Å; M8-I11 PolarHBondContact O-N 2.94Å; M8-A12 VanDerWaalsContact O-CB 3.32Å; M8-A12 WeakPolarHBondContact O-CB 3.5Å; M8-A12 PolarHBondContact O-N 3.45Å |
| 9 | L | 54.7 | Low | 51.9 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.5 | -38.1 | 176.2 | -85 | 160.5 | 0 | 0 | 0 | 112.7 | L5 I6 A12 S13 | L5-L9 WeakPolarHBondContact O-CB 3.4Å; L5-L9 PolarHBondContact O-N 3.27Å; I6-L9 PolarHBondContact O-N 2.71Å; L9-A12 PolarHBondContact O-N 3.38Å; L9-S13 PolarHBondContact O-N 3.42Å |
| 10 | I | 52.1 | Low | 52.1 | Low | 37 Ų | 37 | 108.3 Ų | 108.3 | 19% | 0.19 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -69.9 | -41.9 | 179.1 | -71.6 | 172.7 | 0 | 0 | 0 | 110.7 | I6 C7 A12 S13 L19 | I6-I10 HydrophobicContact CG2-CD1 3.62Å; I6-I10 HydrophobicContact CG2-CG1 4.37Å; I6-I10 WeakPolarHBondContact O-CB 3.31Å; I6-I10 WeakPolarHBondContact O-CG1 3.07Å; I6-I10 PolarHBondContact O-N 3.46Å; C7-I10 PolarHBondContact O-N 3.5Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-S13 PolarHBondContact O-N 3.38Å; I10-S13 PolarHBondContact O-OG 3.04Å; I10-L19 HydrophobicContact CG2-CB 4.17Å; I10-L19 HydrophobicContact CG2-CD2 3.57Å; I10-L19 HydrophobicContact CG2-CG 3.55Å |
| 11 | I | 55.6 | Low | 52.5 | Low | 118 Ų | 118 | 110.6 Ų | 110.6 | 61% | 0.605 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.6 | -40.7 | 174 | -67.1 | 165 | 0 | 0 | 0 | 110.9 | C7 M8 S13 L19 | C7-I11 WeakPolarHBondContact O-CB 3.06Å; C7-I11 WeakPolarHBondContact O-CD1 3.32Å; C7-I11 VanDerWaalsContact O-CG1 3.22Å; C7-I11 WeakPolarHBondContact O-CG1 3.24Å; C7-I11 PolarHBondContact O-N 3.34Å; M8-I11 PolarHBondContact O-N 2.94Å; I11-S13 PolarHBondContact O-N 3.23Å; I11-L19 HydrophobicContact CG1-CD2 4.28Å |
| 12 | A | 55.7 | Low | 53.4 | Low | 81 Ų | 81 | 102 Ų | 102 | 67% | 0.669 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -18 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | M8 L9 I10 | M8-A12 VanDerWaalsContact O-CB 3.32Å; M8-A12 WeakPolarHBondContact O-CB 3.5Å; M8-A12 PolarHBondContact O-N 3.45Å; L9-A12 PolarHBondContact O-N 3.38Å; I10-A12 VanDerWaalsContact C-N 3.35Å |
| 13 | S | 59 | Low | 54.2 | Low | 53 Ų | 53 | 102.7 Ų | 102.7 | 37% | 0.371 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -7.3 | -173.7 | 74.8 | 0 | 0 | 0 | 0 | 115.4 | L9 I10 I11 R15 | L9-S13 PolarHBondContact O-N 3.42Å; I10-S13 PolarHBondContact O-N 3.38Å; I10-S13 PolarHBondContact O-OG 3.04Å; I11-S13 PolarHBondContact O-N 3.23Å; S13-R15 WeakPolarHBondContact O-CG 3.46Å; S13-R15 PolarHBondContact O-N 3.37Å |
| 14 | E | 54 | Low | 55 | Low | 179 Ų | 179 | 102.1 Ų | 102.1 | 84% | 0.836 | 54% | 0.54 | S | S | * | . | trans | 47.7 | 2.2 | -178.4 | -79 | -163.8 | 159.8 | 0 | 0 | 117.4 | R16 | E14-R16 PolarHBondContact O-N 2.99Š| ||
| 15 | R | 50.5 | Low | 55.7 | Low | 191 Ų | 191 | 100 Ų | 100 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | trans | -85.8 | 112.5 | 179.4 | -70.3 | -167 | -178.7 | -169.9 | 2.2 | 109.1 | S13 C17 P18 L19 | S13-R15 WeakPolarHBondContact O-CG 3.46Å; S13-R15 PolarHBondContact O-N 3.37Å; R15-C17 PolarHBondContact O-N 2.88Å; R15-C17 VanDerWaalsContact O-N 3.16Å; R15-P18 HydrophobicContact CB-CG 3.51Å; R15-P18 WeakPolarHBondContact O-CD 3.36Å; R15-P18 VanDerWaalsContact O-CG 3.25Å; R15-P18 WeakPolarHBondContact O-CG 3.22Å; R15-L19 PolarHBondContact O-N 3.47Å | ||
| 16 | R | 53.9 | Low | 56.3 | Low | 221 Ų | 221 | 95.8 Ų | 95.8 | 83% | 0.834 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -54.5 | -33.7 | -178.6 | -69.2 | -176.5 | 178.7 | -176.6 | -1.1 | 114.1 | E14 C20 | E14-R16 PolarHBondContact O-N 2.99Å; R16-C20 PolarHBondContact O-N 2.83Å; R16-C20 VanDerWaalsContact O-N 3.14Å |
| 17 | C | 50.4 | Low | 56.7 | Low | 107 Ų | 107 | 93.6 Ų | 93.6 | 72% | 0.723 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.9 | -52.2 | -178.2 | -69.5 | 0 | 0 | 0 | 0 | 114.5 | R15 L19 C20 F21 | R15-C17 PolarHBondContact O-N 2.88Å; R15-C17 VanDerWaalsContact O-N 3.16Å; C17-L19 VanDerWaalsContact C-N 3.26Å; C17-L19 PolarHBondContact O-N 3.35Å; C17-C20 PolarHBondContact O-N 3.46Å; C17-F21 PolarHBondContact O-N 3.34Å; C17-F21 VanDerWaalsContact O-N 3.08Å |
| 18 | P | 56.3 | Low | 57.8 | Low | 56 Ų | 56 | 95.8 Ų | 95.8 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -26.8 | 175 | 22.5 | -32.6 | 0 | 0 | 0 | 113.1 | R15 G22 | R15-P18 HydrophobicContact CB-CG 3.51Å; R15-P18 WeakPolarHBondContact O-CD 3.36Å; R15-P18 VanDerWaalsContact O-CG 3.25Å; R15-P18 WeakPolarHBondContact O-CG 3.22Å; P18-G22 PolarHBondContact O-N 2.97Å |
| 19 | L | 52.1 | Low | 58.5 | Low | 54 Ų | 54 | 94 Ų | 94 | 28% | 0.283 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 169.9 | -90.8 | 150.7 | 0 | 0 | 0 | 112.1 | I10 I11 R15 C17 F21 G22 T23 | I10-L19 HydrophobicContact CG2-CB 4.17Å; I10-L19 HydrophobicContact CG2-CD2 3.57Å; I10-L19 HydrophobicContact CG2-CG 3.55Å; I11-L19 HydrophobicContact CG1-CD2 4.28Å; R15-L19 PolarHBondContact O-N 3.47Å; C17-L19 VanDerWaalsContact C-N 3.26Å; C17-L19 PolarHBondContact O-N 3.35Å; L19-F21 PolarHBondContact O-N 3.34Å; L19-G22 PolarHBondContact O-N 3.35Å; L19-T23 WeakPolarHBondContact O-CG2 3.45Å; L19-T23 PolarHBondContact O-N 3.37Å; L19-T23 PolarHBondContact O-OG1 3.2Å; L19-T23 VanDerWaalsContact O-OG1 3.12Å |
| 20 | C | 55 | Low | 59 | Low | 87 Ų | 87 | 90 Ų | 90 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 175.8 | -84.4 | 0 | 0 | 0 | 0 | 112.6 | R16 C17 T23 L24 | R16-C20 PolarHBondContact O-N 2.83Å; R16-C20 VanDerWaalsContact O-N 3.14Å; C17-C20 PolarHBondContact O-N 3.46Å; C20-T23 VanDerWaalsContact C-OG1 3.32Å; C20-T23 VanDerWaalsContact CA-OG1 3.29Å; C20-T23 WeakPolarHBondContact CA-OG1 3.48Å; C20-T23 PolarHBondContact O-N 3.08Å; C20-T23 PolarHBondContact O-OG1 2.85Å; C20-L24 WeakPolarHBondContact O-CB 3.25Å; C20-L24 PolarHBondContact O-N 3.45Å |
| 21 | F | 60.2 | Low | 60 | Low | 156 Ų | 156 | 93.2 Ų | 93.2 | 68% | 0.684 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -40.5 | 179.2 | -157.8 | -89 | 0 | 0 | 0 | 111.8 | C17 L19 L24 A25 | C17-F21 PolarHBondContact O-N 3.34Å; C17-F21 VanDerWaalsContact O-N 3.08Å; L19-F21 PolarHBondContact O-N 3.34Å; F21-L24 PolarHBondContact O-N 3.16Å; F21-A25 WeakPolarHBondContact O-CB 3.41Å; F21-A25 PolarHBondContact O-N 2.8Å |
| 22 | G | 60.3 | Low | 60.8 | Low | 19 Ų | 19 | 90.4 Ų | 90.4 | 20% | 0.196 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P18 L19 L24 A25 S26 | P18-G22 PolarHBondContact O-N 2.97Å; L19-G22 PolarHBondContact O-N 3.35Å; G22-L24 VanDerWaalsContact C-N 3.34Å; G22-L24 PolarHBondContact O-N 3.46Å; G22-A25 PolarHBondContact O-N 3.01Å; G22-S26 WeakPolarHBondContact O-CB 3.24Å; G22-S26 PolarHBondContact O-N 2.8Å; G22-S26 PolarHBondContact O-OG 2.94Å |
| 23 | T | 61.4 | Low | 61.5 | Low | 84 Ų | 84 | 89.4 Ų | 89.4 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.7 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | L19 C20 S26 A27 | L19-T23 WeakPolarHBondContact O-CG2 3.45Å; L19-T23 PolarHBondContact O-N 3.37Å; L19-T23 PolarHBondContact O-OG1 3.2Å; L19-T23 VanDerWaalsContact O-OG1 3.12Å; C20-T23 VanDerWaalsContact C-OG1 3.32Å; C20-T23 VanDerWaalsContact CA-OG1 3.29Å; C20-T23 WeakPolarHBondContact CA-OG1 3.48Å; C20-T23 PolarHBondContact O-N 3.08Å; C20-T23 PolarHBondContact O-OG1 2.85Å; T23-S26 WeakPolarHBondContact CA-OG 3.48Å; T23-S26 PolarHBondContact O-OG 3.19Å; T23-A27 WeakPolarHBondContact O-CB 3.11Å; T23-A27 PolarHBondContact O-N 3.44Å |
| 24 | L | 65.5 | Low | 61.8 | Low | 106 Ų | 106 | 89.2 Ų | 89.2 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.2 | -46.1 | 177.5 | -159.5 | 85.1 | 0 | 0 | 0 | 111 | C20 F21 G22 S26 A27 I28 | C20-L24 WeakPolarHBondContact O-CB 3.25Å; C20-L24 PolarHBondContact O-N 3.45Å; F21-L24 PolarHBondContact O-N 3.16Å; G22-L24 VanDerWaalsContact C-N 3.34Å; G22-L24 PolarHBondContact O-N 3.46Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 3.44Å; L24-A27 PolarHBondContact O-N 3.27Å; L24-I28 HydrophobicContact CD2-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 4.29Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.22Å; L24-I28 PolarHBondContact O-N 3.46Å |
| 25 | A | 66.1 | Low | 62.6 | Low | 39 Ų | 39 | 84.1 Ų | 84.1 | 32% | 0.322 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F21 G22 I28 L29 | F21-A25 WeakPolarHBondContact O-CB 3.41Å; F21-A25 PolarHBondContact O-N 2.8Å; G22-A25 PolarHBondContact O-N 3.01Å; A25-I28 PolarHBondContact O-N 3.4Å; A25-L29 WeakPolarHBondContact O-CB 3.42Å; A25-L29 PolarHBondContact O-N 2.98Å |
| 26 | S | 61.9 | Low | 63.4 | Low | 23 Ų | 23 | 80 Ų | 80 | 16% | 0.161 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 172.5 | 42.2 | 0 | 0 | 0 | 0 | 113.4 | Y3 G22 T23 L24 I28 L29 A30 | Y3-S26 WeakPolarHBondContact OH-CB 3.44Å; G22-S26 WeakPolarHBondContact O-CB 3.24Å; G22-S26 PolarHBondContact O-N 2.8Å; G22-S26 PolarHBondContact O-OG 2.94Å; T23-S26 WeakPolarHBondContact CA-OG 3.48Å; T23-S26 PolarHBondContact O-OG 3.19Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 3.44Å; S26-I28 VanDerWaalsContact C-N 3.33Å; S26-L29 PolarHBondContact O-N 2.82Å; S26-A30 VanDerWaalsContact O-CB 3.31Å; S26-A30 WeakPolarHBondContact O-CB 3.48Å; S26-A30 PolarHBondContact O-N 3.33Å |
| 27 | A | 63.2 | Low | 64 | Low | 47 Ų | 47 | 70.1 Ų | 70.1 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T23 L24 A30 I31 | T23-A27 WeakPolarHBondContact O-CB 3.11Å; T23-A27 PolarHBondContact O-N 3.44Å; L24-A27 PolarHBondContact O-N 3.27Å; A27-A30 PolarHBondContact O-N 2.93Å; A27-I31 WeakPolarHBondContact O-CB 3.36Å; A27-I31 WeakPolarHBondContact O-CD1 3.29Å; A27-I31 WeakPolarHBondContact O-CG1 3.46Å; A27-I31 PolarHBondContact O-N 3.44Å |
| 28 | I | 71.3 | Confident | 64.7 | Low | 93 Ų | 93 | 68 Ų | 68 | 48% | 0.477 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 175.2 | -66.6 | 165.6 | 0 | 0 | 0 | 110.7 | L24 A25 S26 A30 I31 C32 | L24-I28 HydrophobicContact CD2-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 4.29Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.22Å; L24-I28 PolarHBondContact O-N 3.46Å; A25-I28 PolarHBondContact O-N 3.4Å; S26-I28 VanDerWaalsContact C-N 3.33Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 3.32Å; I28-I31 PolarHBondContact O-N 3.34Å; I28-C32 WeakPolarHBondContact O-CB 3.22Å; I28-C32 PolarHBondContact O-N 2.89Å; I28-C32 PolarHBondContact O-SG 2.89Å; I28-C32 VanDerWaalsContact O-SG 3.37Å |
| 29 | L | 70.2 | Confident | 65.1 | Low | 101 Ų | 101 | 70.1 Ų | 70.1 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 176.1 | -93 | 159.4 | 0 | 0 | 0 | 112 | A25 S26 C32 C33 | A25-L29 WeakPolarHBondContact O-CB 3.42Å; A25-L29 PolarHBondContact O-N 2.98Å; S26-L29 PolarHBondContact O-N 2.82Å; L29-C32 PolarHBondContact O-N 3.29Å; L29-C33 WeakPolarHBondContact O-CB 3.1Å; L29-C33 PolarHBondContact O-N 2.92Å; L29-C33 PolarHBondContact O-SG 3.14Å; L29-C33 VanDerWaalsContact O-SG 3.36Å |
| 30 | A | 64.4 | Low | 65.6 | Low | 39 Ų | 39 | 70 Ų | 70 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S26 A27 I28 C33 L34 | S26-A30 VanDerWaalsContact O-CB 3.31Å; S26-A30 WeakPolarHBondContact O-CB 3.48Å; S26-A30 PolarHBondContact O-N 3.33Å; A27-A30 PolarHBondContact O-N 2.93Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 3.32Å; A30-C33 PolarHBondContact O-N 3.3Å; A30-L34 WeakPolarHBondContact O-CB 3.33Å; A30-L34 PolarHBondContact O-N 3.45Å |
| 31 | I | 72 | Confident | 65.8 | Low | 103 Ų | 103 | 68.4 Ų | 68.4 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.8 | -68.2 | 164.3 | 0 | 0 | 0 | 110.4 | A27 I28 C33 L34 T35 | A27-I31 WeakPolarHBondContact O-CB 3.36Å; A27-I31 WeakPolarHBondContact O-CD1 3.29Å; A27-I31 WeakPolarHBondContact O-CG1 3.46Å; A27-I31 PolarHBondContact O-N 3.44Å; I28-I31 PolarHBondContact O-N 3.34Å; I31-C33 PolarHBondContact O-N 3.08Å; I31-L34 WeakPolarHBondContact O-CB 3.37Å; I31-L34 PolarHBondContact O-N 2.88Å; I31-T35 HydrophobicContact CG2-CG2 4.37Å; I31-T35 WeakPolarHBondContact O-CG2 3.22Å; I31-T35 PolarHBondContact O-N 3.49Å; I31-T35 PolarHBondContact O-OG1 3.3Å; I31-T35 VanDerWaalsContact O-OG1 3.07Å |
| 32 | C | 72.9 | Confident | 65.9 | Low | 59 Ų | 59 | 66.6 Ų | 66.6 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.4 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | I28 L29 T35 L36 | I28-C32 WeakPolarHBondContact O-CB 3.22Å; I28-C32 PolarHBondContact O-N 2.89Å; I28-C32 PolarHBondContact O-SG 2.89Å; I28-C32 VanDerWaalsContact O-SG 3.37Å; L29-C32 PolarHBondContact O-N 3.29Å; C32-T35 WeakPolarHBondContact CA-OG1 3.47Å; C32-T35 PolarHBondContact O-OG1 2.92Å; C32-L36 VanDerWaalsContact O-CB 3.27Å; C32-L36 WeakPolarHBondContact O-CB 2.81Å; C32-L36 WeakPolarHBondContact O-CD1 3.35Å; C32-L36 WeakPolarHBondContact O-CG 3.33Å; C32-L36 PolarHBondContact O-N 3.48Å |
| 33 | C | 70.3 | Confident | 65.7 | Low | 60 Ų | 60 | 66.7 Ų | 66.7 | 41% | 0.405 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 174.7 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | L29 A30 I31 S37 | L29-C33 WeakPolarHBondContact O-CB 3.1Å; L29-C33 PolarHBondContact O-N 2.92Å; L29-C33 PolarHBondContact O-SG 3.14Å; L29-C33 VanDerWaalsContact O-SG 3.36Å; A30-C33 PolarHBondContact O-N 3.3Å; I31-C33 PolarHBondContact O-N 3.08Å; C33-S37 VanDerWaalsContact O-CB 3.24Å; C33-S37 WeakPolarHBondContact O-CB 3.48Å; C33-S37 PolarHBondContact O-N 3.39Å; C33-S37 PolarHBondContact O-OG 3.46Å |
| 34 | L | 65.5 | Low | 65.3 | Low | 50 Ų | 50 | 64.3 Ų | 64.3 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 175 | -95.3 | 160.6 | 0 | 0 | 0 | 111.8 | A30 I31 S37 C38 T200 | A30-L34 WeakPolarHBondContact O-CB 3.33Å; A30-L34 PolarHBondContact O-N 3.45Å; I31-L34 WeakPolarHBondContact O-CB 3.37Å; I31-L34 PolarHBondContact O-N 2.88Å; L34-S37 PolarHBondContact O-N 2.83Å; L34-C38 WeakPolarHBondContact O-CB 3.37Å; L34-C38 PolarHBondContact O-N 3.01Å; L34-T200 VanDerWaalsContact CD2-OG1 3.26Å; L34-T200 WeakPolarHBondContact CD2-OG1 3.39Å; L34-T200 HydrophobicContact CG-CG2 4.39Å |
| 35 | T | 70.3 | Confident | 64.7 | Low | 72 Ų | 72 | 64.4 Ų | 64.4 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 178.5 | 50.4 | 0 | 0 | 0 | 0 | 111 | I31 C32 S37 C38 I39 | I31-T35 HydrophobicContact CG2-CG2 4.37Å; I31-T35 WeakPolarHBondContact O-CG2 3.22Å; I31-T35 PolarHBondContact O-N 3.49Å; I31-T35 PolarHBondContact O-OG1 3.3Å; I31-T35 VanDerWaalsContact O-OG1 3.07Å; C32-T35 WeakPolarHBondContact CA-OG1 3.47Å; C32-T35 PolarHBondContact O-OG1 2.92Å; T35-S37 VanDerWaalsContact C-N 3.33Å; T35-S37 PolarHBondContact O-N 3.47Å; T35-C38 PolarHBondContact O-N 3.04Å; T35-I39 WeakPolarHBondContact O-CB 3.47Å; T35-I39 WeakPolarHBondContact O-CD1 3.39Å; T35-I39 WeakPolarHBondContact O-CG1 3.39Å; T35-I39 PolarHBondContact O-N 3.3Å |
| 36 | L | 67.4 | Low | 64.6 | Low | 104 Ų | 104 | 66.9 Ų | 66.9 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 173.7 | -80.2 | 164.7 | 0 | 0 | 0 | 111.5 | C32 I39 L40 | C32-L36 VanDerWaalsContact O-CB 3.27Å; C32-L36 WeakPolarHBondContact O-CB 2.81Å; C32-L36 WeakPolarHBondContact O-CD1 3.35Å; C32-L36 WeakPolarHBondContact O-CG 3.33Å; C32-L36 PolarHBondContact O-N 3.48Å; L36-I39 PolarHBondContact O-N 3.35Å; L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 WeakPolarHBondContact O-CD1 3.31Å; L36-L40 PolarHBondContact O-N 3.37Å |
| 37 | S | 66.7 | Low | 64.7 | Low | 13 Ų | 13 | 68 Ų | 68 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | -179.8 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | C33 L34 T35 L40 L41 | C33-S37 VanDerWaalsContact O-CB 3.24Å; C33-S37 WeakPolarHBondContact O-CB 3.48Å; C33-S37 PolarHBondContact O-N 3.39Å; C33-S37 PolarHBondContact O-OG 3.46Å; L34-S37 PolarHBondContact O-N 2.83Å; T35-S37 VanDerWaalsContact C-N 3.33Å; T35-S37 PolarHBondContact O-N 3.47Å; S37-L40 WeakPolarHBondContact O-CB 3.29Å; S37-L40 PolarHBondContact O-N 3.12Å; S37-L41 PolarHBondContact O-N 3.21Å |
| 38 | C | 65.6 | Low | 64.8 | Low | 62 Ų | 62 | 67.1 Ų | 67.1 | 42% | 0.419 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 173.4 | -89.3 | 0 | 0 | 0 | 0 | 111.5 | L34 T35 L40 L41 T42 | L34-C38 WeakPolarHBondContact O-CB 3.37Å; L34-C38 PolarHBondContact O-N 3.01Å; T35-C38 PolarHBondContact O-N 3.04Å; C38-L40 VanDerWaalsContact C-N 3.34Å; C38-L41 PolarHBondContact O-N 3.41Å; C38-L41 VanDerWaalsContact O-N 3.11Å; C38-T42 PolarHBondContact O-N 2.94Å; C38-T42 PolarHBondContact O-OG1 3.44Å |
| 39 | I | 65.5 | Low | 64.6 | Low | 101 Ų | 101 | 66 Ų | 66 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.1 | -68.4 | 163.7 | 0 | 0 | 0 | 110 | T35 L36 L41 T42 A43 | T35-I39 WeakPolarHBondContact O-CB 3.47Å; T35-I39 WeakPolarHBondContact O-CD1 3.39Å; T35-I39 WeakPolarHBondContact O-CG1 3.39Å; T35-I39 PolarHBondContact O-N 3.3Å; L36-I39 PolarHBondContact O-N 3.35Å; I39-L41 PolarHBondContact O-N 3.36Å; I39-T42 PolarHBondContact O-N 3.43Å; I39-T42 PolarHBondContact O-OG1 2.9Å; I39-A43 WeakPolarHBondContact O-CA 3.47Å; I39-A43 WeakPolarHBondContact O-CB 3.41Å; I39-A43 PolarHBondContact O-N 3.46Å |
| 40 | L | 60.7 | Low | 64.6 | Low | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57 | -30.3 | 175.5 | -103.2 | 128.9 | 0 | 0 | 0 | 112.6 | L36 S37 C38 T44 L47 V189 | L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 WeakPolarHBondContact O-CD1 3.31Å; L36-L40 PolarHBondContact O-N 3.37Å; S37-L40 WeakPolarHBondContact O-CB 3.29Å; S37-L40 PolarHBondContact O-N 3.12Å; C38-L40 VanDerWaalsContact C-N 3.34Å; L40-T44 WeakPolarHBondContact O-CG2 3.39Å; L40-L47 HydrophobicContact CB-CD1 4.19Å; L40-L47 HydrophobicContact CD2-CD1 3.39Å; L40-L47 HydrophobicContact CD2-CD2 4.04Å; L40-L47 HydrophobicContact CD2-CG 4.36Å; L40-L47 HydrophobicContact CG-CD1 3.58Å; L40-V189 HydrophobicContact CD2-CG1 4.35Å |
| 41 | L | 60.9 | Low | 64.9 | Low | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.288 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -86.6 | -43.9 | 179.6 | -116.7 | 103 | 0 | 0 | 0 | 114.2 | S37 C38 I39 A43 T44 A193 N194 I197 | S37-L41 PolarHBondContact O-N 3.21Å; C38-L41 PolarHBondContact O-N 3.41Å; C38-L41 VanDerWaalsContact O-N 3.11Å; I39-L41 PolarHBondContact O-N 3.36Å; L41-A43 VanDerWaalsContact C-N 3.31Å; L41-T44 WeakPolarHBondContact O-CG2 3.37Å; L41-T44 PolarHBondContact O-OG1 3.4Å; L41-A193 HydrophobicContact CD1-CB 4.37Å; L41-N194 HydrophobicContact CD1-CB 4.47Å; L41-N194 WeakPolarHBondContact CD1-OD1 3.26Å; L41-N194 WeakPolarHBondContact CD2-OD1 2.94Å; L41-I197 HydrophobicContact CD1-CD1 3.66Å |
| 42 | T | 61.9 | Low | 64.8 | Low | 118 Ų | 118 | 60.8 Ų | 60.8 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.1 | -32.1 | 177.8 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | C38 I39 T44 | C38-T42 PolarHBondContact O-N 2.94Å; C38-T42 PolarHBondContact O-OG1 3.44Å; I39-T42 PolarHBondContact O-N 3.43Å; I39-T42 PolarHBondContact O-OG1 2.9Å; T42-T44 VanDerWaalsContact C-N 3.35Å |
| 43 | A | 56.7 | Low | 64.7 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 22.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I39 L41 T45 D46 L47 | I39-A43 WeakPolarHBondContact O-CA 3.47Å; I39-A43 WeakPolarHBondContact O-CB 3.41Å; I39-A43 PolarHBondContact O-N 3.46Å; L41-A43 VanDerWaalsContact C-N 3.31Å; A43-T45 PolarHBondContact O-N 3.4Å; A43-T45 VanDerWaalsContact O-N 3.14Å; A43-D46 HydrophobicContact CB-CB 4.03Å; A43-D46 CarbonylContact O-C 3.59Å; A43-D46 VanDerWaalsContact O-CA 3.29Å; A43-D46 WeakPolarHBondContact O-CA 3.48Å; A43-D46 WeakPolarHBondContact O-CB 3.42Å; A43-D46 PolarHBondContact O-N 2.92Å; A43-L47 PolarHBondContact O-N 3.39Å |
| 44 | T | 51.2 | Low | 64.6 | Low | 35 Ų | 35 | 65.3 Ų | 65.3 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.5 | -31.3 | -175.9 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | L40 L41 T42 D46 L47 K190 | L40-T44 WeakPolarHBondContact O-CG2 3.39Å; L41-T44 WeakPolarHBondContact O-CG2 3.37Å; L41-T44 PolarHBondContact O-OG1 3.4Å; T42-T44 VanDerWaalsContact C-N 3.35Å; T44-D46 VanDerWaalsContact C-N 3.34Å; T44-L47 PolarHBondContact O-N 2.91Å; T44-K190 VanDerWaalsContact CB-NZ 3.34Å; T44-K190 HydrophobicContact CG2-CD 3.87Å; T44-K190 HydrophobicContact CG2-CG 4.34Å; T44-K190 VanDerWaalsContact CG2-NZ 3.33Å; T44-K190 PolarHBondContact OG1-NZ 3.24Å |
| 45 | T | 53.8 | Low | 64.9 | Low | 108 Ų | 108 | 62.9 Ų | 62.9 | 66% | 0.663 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.6 | -31.6 | 170.1 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | A43 | A43-T45 PolarHBondContact O-N 3.4Å; A43-T45 VanDerWaalsContact O-N 3.14Å |
| 46 | D | 63.9 | Low | 65 | Low | 90 Ų | 90 | 60.8 Ų | 60.8 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -80 | -23.2 | 174.9 | -70.8 | -31.6 | 0 | 0 | 0 | 112.3 | A43 T44 N49 V50 | A43-D46 HydrophobicContact CB-CB 4.03Å; A43-D46 CarbonylContact O-C 3.59Å; A43-D46 VanDerWaalsContact O-CA 3.29Å; A43-D46 WeakPolarHBondContact O-CA 3.48Å; A43-D46 WeakPolarHBondContact O-CB 3.42Å; A43-D46 PolarHBondContact O-N 2.92Å; T44-D46 VanDerWaalsContact C-N 3.34Å; D46-N49 CarbonylContact O-C 3.51Å; D46-N49 PolarHBondContact O-N 2.92Å; D46-V50 WeakPolarHBondContact O-CA 3.4Å; D46-V50 VanDerWaalsContact O-CB 3.23Å; D46-V50 WeakPolarHBondContact O-CB 3.3Å; D46-V50 WeakPolarHBondContact O-CG2 3.36Å; D46-V50 PolarHBondContact O-N 3.5Å |
| 47 | L | 63.8 | Low | 65 | Low | 47 Ų | 47 | 61.4 Ų | 61.4 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.1 | -43.6 | -177.9 | -134.7 | 118.1 | 0 | 0 | 0 | 111.3 | L40 A43 T44 N49 V50 S51 | L40-L47 HydrophobicContact CB-CD1 4.19Å; L40-L47 HydrophobicContact CD2-CD1 3.39Å; L40-L47 HydrophobicContact CD2-CD2 4.04Å; L40-L47 HydrophobicContact CD2-CG 4.36Å; L40-L47 HydrophobicContact CG-CD1 3.58Å; A43-L47 PolarHBondContact O-N 3.39Å; T44-L47 PolarHBondContact O-N 2.91Å; L47-N49 VanDerWaalsContact C-N 3.3Å; L47-V50 PolarHBondContact O-N 3.28Å; L47-S51 WeakPolarHBondContact O-CB 3.32Å; L47-S51 PolarHBondContact O-N 2.87Å; L47-S51 PolarHBondContact O-OG 2.96Å |
| 48 | D | 66.2 | Low | 65.1 | Low | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 173.8 | -68.9 | -19.5 | 0 | 0 | 0 | 110.2 | V50 S51 E52 L179 S183 N186 | D48-V50 PolarHBondContact O-N 2.9Å; D48-S51 WeakPolarHBondContact O-CB 3.41Å; D48-S51 PolarHBondContact O-N 3.3Å; D48-E52 VanDerWaalsContact O-CB 3.32Å; D48-E52 WeakPolarHBondContact O-CB 3.49Å; D48-E52 PolarHBondContact O-N 2.88Å; D48-L179 HydrophobicContact CB-CD2 4.45Å; D48-S183 VanDerWaalsContact OD2-CB 3.32Å; D48-S183 WeakPolarHBondContact OD2-CB 3.17Å; D48-S183 PolarHBondContact OD2-OG 3.41Å; D48-N186 PolarHBondContact OD1-ND2 2.69Å |
| 49 | N | 67.2 | Low | 65.1 | Low | 69 Ų | 69 | 58.2 Ų | 58.2 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 176.8 | -149 | -11 | 0 | 0 | 0 | 112.9 | D46 L47 K53 | D46-N49 CarbonylContact O-C 3.51Å; D46-N49 PolarHBondContact O-N 2.92Å; L47-N49 VanDerWaalsContact C-N 3.3Å; N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 WeakPolarHBondContact O-CG 3.22Å; N49-K53 PolarHBondContact O-N 3.17Å |
| 50 | V | 70.1 | Confident | 65.1 | Low | 82 Ų | 82 | 59.1 Ų | 59.1 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.1 | -43.5 | 173.3 | 166.8 | 0 | 0 | 0 | 0 | 109.3 | D46 L47 D48 E52 K53 V54 | D46-V50 WeakPolarHBondContact O-CA 3.4Å; D46-V50 VanDerWaalsContact O-CB 3.23Å; D46-V50 WeakPolarHBondContact O-CB 3.3Å; D46-V50 WeakPolarHBondContact O-CG2 3.36Å; D46-V50 PolarHBondContact O-N 3.5Å; L47-V50 PolarHBondContact O-N 3.28Å; D48-V50 PolarHBondContact O-N 2.9Å; V50-E52 VanDerWaalsContact C-N 3.26Å; V50-E52 PolarHBondContact O-N 2.89Å; V50-K53 PolarHBondContact O-N 2.89Å; V50-V54 HydrophobicContact CG1-CG2 4.17Å; V50-V54 WeakPolarHBondContact O-CB 3.47Å; V50-V54 WeakPolarHBondContact O-CG2 3.41Å; V50-V54 PolarHBondContact O-N 3.41Å |
| 51 | S | 69.6 | Low | 65.2 | Low | 12 Ų | 12 | 58.8 Ų | 58.8 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 174.6 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | L47 D48 V54 L55 N186 | L47-S51 WeakPolarHBondContact O-CB 3.32Å; L47-S51 PolarHBondContact O-N 2.87Å; L47-S51 PolarHBondContact O-OG 2.96Å; D48-S51 WeakPolarHBondContact O-CB 3.41Å; D48-S51 PolarHBondContact O-N 3.3Å; S51-V54 PolarHBondContact O-N 2.74Å; S51-L55 VanDerWaalsContact O-CB 3.3Å; S51-L55 WeakPolarHBondContact O-CB 3.35Å; S51-L55 PolarHBondContact O-N 2.66Å; S51-N186 PolarHBondContact OG-ND2 3.44Å |
| 52 | E | 70.2 | Confident | 65.1 | Low | 41 Ų | 41 | 56.4 Ų | 56.4 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 176.2 | -171.3 | -169.3 | 178 | 0 | 0 | 111.6 | D48 V50 V54 L55 S56 L90 L179 | D48-E52 VanDerWaalsContact O-CB 3.32Å; D48-E52 WeakPolarHBondContact O-CB 3.49Å; D48-E52 PolarHBondContact O-N 2.88Å; V50-E52 VanDerWaalsContact C-N 3.26Å; V50-E52 PolarHBondContact O-N 2.89Å; E52-V54 PolarHBondContact O-N 3.43Å; E52-L55 CarbonylContact O-C 3.45Å; E52-L55 PolarHBondContact O-N 2.89Å; E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.4Å; E52-S56 PolarHBondContact O-N 3.39Å; E52-L90 HydrophobicContact CG-CD2 3.4Å; E52-L179 HydrophobicContact CB-CD1 4.26Å; E52-L179 VanDerWaalsContact CD-CD1 3.46Å; E52-L179 HydrophobicContact CG-CD1 4.1Å; E52-L179 WeakPolarHBondContact OE2-CD1 3.41Å |
| 53 | K | 70.5 | Confident | 64.7 | Low | 141 Ų | 141 | 51.8 Ų | 51.8 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 175.8 | -81.9 | 178.5 | -179.1 | 173.8 | 0 | 112.2 | N49 V50 L55 S56 L57 | N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 WeakPolarHBondContact O-CG 3.22Å; N49-K53 PolarHBondContact O-N 3.17Å; V50-K53 PolarHBondContact O-N 2.89Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-S56 PolarHBondContact O-N 2.98Å; K53-L57 WeakPolarHBondContact O-CB 3.24Å; K53-L57 PolarHBondContact O-N 2.91Å |
| 54 | V | 69.2 | Low | 64.5 | Low | 72 Ų | 72 | 60 Ų | 60 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 110 | V50 S51 E52 G58 Y77 | V50-V54 HydrophobicContact CG1-CG2 4.17Å; V50-V54 WeakPolarHBondContact O-CB 3.47Å; V50-V54 WeakPolarHBondContact O-CG2 3.41Å; V50-V54 PolarHBondContact O-N 3.41Å; S51-V54 PolarHBondContact O-N 2.74Å; E52-V54 PolarHBondContact O-N 3.43Å; V54-G58 VanDerWaalsContact O-CA 3.28Å; V54-G58 WeakPolarHBondContact O-CA 3.4Å; V54-G58 PolarHBondContact O-N 3.02Å; V54-Y77 HydrophobicContact CG1-CD1 4.05Å; V54-Y77 HydrophobicContact CG1-CE1 3.86Å |
| 55 | L | 71.8 | Confident | 64.5 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 173.1 | -178.4 | 61.4 | 0 | 0 | 0 | 111.3 | S51 E52 K53 L57 G58 V59 Y77 V78 V81 L90 C178 L182 | S51-L55 VanDerWaalsContact O-CB 3.3Å; S51-L55 WeakPolarHBondContact O-CB 3.35Å; S51-L55 PolarHBondContact O-N 2.66Å; E52-L55 CarbonylContact O-C 3.45Å; E52-L55 PolarHBondContact O-N 2.89Å; K53-L55 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 3.44Å; L55-G58 CarbonylContact O-C 3.49Å; L55-G58 PolarHBondContact O-N 2.67Å; L55-V59 HydrophobicContact CD1-CG2 3.97Å; L55-V59 HydrophobicContact CG-CG2 4.38Å; L55-V59 WeakPolarHBondContact O-CB 3.38Å; L55-V59 WeakPolarHBondContact O-CG2 3.12Å; L55-V59 PolarHBondContact O-N 3.47Å; L55-Y77 HydrophobicContact CB-CE1 4.44Å; L55-V78 HydrophobicContact CD1-CG2 4.35Å; L55-V81 HydrophobicContact CD1-CB 3.97Å; L55-V81 HydrophobicContact CD1-CG1 3.73Å; L55-V81 HydrophobicContact CD1-CG2 4.05Å; L55-V81 HydrophobicContact CD2-CG1 3.91Å; L55-V81 HydrophobicContact CG-CG1 4.49Å; L55-L90 HydrophobicContact CD2-CD2 4.25Å; L55-C178 HydrophobicContact CD2-CB 4.12Å; L55-L182 HydrophobicContact CD2-CD1 4.15Å |
| 56 | S | 71.1 | Confident | 64.3 | Low | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | E52 K53 K60 | E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.4Å; E52-S56 PolarHBondContact O-N 3.39Å; K53-S56 PolarHBondContact O-N 2.98Å; S56-K60 WeakPolarHBondContact O-CB 3.48Å; S56-K60 VanDerWaalsContact O-CG 3.26Å; S56-K60 WeakPolarHBondContact O-CG 3.32Å; S56-K60 PolarHBondContact O-N 3.01Å |
| 57 | L | 69 | Low | 63.6 | Low | 117 Ų | 117 | 56 Ų | 56 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.9 | -39.9 | 177.7 | -153.8 | 120.9 | 0 | 0 | 0 | 110.5 | K53 L55 K60 T61 | K53-L57 WeakPolarHBondContact O-CB 3.24Å; K53-L57 PolarHBondContact O-N 2.91Å; L55-L57 PolarHBondContact O-N 3.44Å; L57-K60 PolarHBondContact O-N 2.84Å; L57-T61 WeakPolarHBondContact O-CB 3.47Å; L57-T61 WeakPolarHBondContact O-CG2 3.46Å; L57-T61 PolarHBondContact O-N 2.71Å; L57-T61 PolarHBondContact O-OG1 3.17Å |
| 58 | G | 67.8 | Low | 63.1 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V54 L55 T61 Y62 | V54-G58 VanDerWaalsContact O-CA 3.28Å; V54-G58 WeakPolarHBondContact O-CA 3.4Å; V54-G58 PolarHBondContact O-N 3.02Å; L55-G58 CarbonylContact O-C 3.49Å; L55-G58 PolarHBondContact O-N 2.67Å; G58-T61 CarbonylContact O-C 3.52Å; G58-T61 PolarHBondContact O-N 3.49Å; G58-T61 PolarHBondContact O-OG1 2.95Å; G58-Y62 VanDerWaalsContact O-CA 3.24Å; G58-Y62 WeakPolarHBondContact O-CA 3.38Å; G58-Y62 WeakPolarHBondContact O-CB 3.27Å; G58-Y62 PolarHBondContact O-N 2.9Å |
| 59 | V | 66.5 | Low | 62.4 | Low | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | L55 T61 Y62 V78 F82 L96 I99 | L55-V59 HydrophobicContact CD1-CG2 3.97Å; L55-V59 HydrophobicContact CG-CG2 4.38Å; L55-V59 WeakPolarHBondContact O-CB 3.38Å; L55-V59 WeakPolarHBondContact O-CG2 3.12Å; L55-V59 PolarHBondContact O-N 3.47Å; V59-T61 PolarHBondContact O-N 3.43Å; V59-T61 VanDerWaalsContact O-N 3.16Å; V59-Y62 WeakPolarHBondContact O-CB 3.46Å; V59-Y62 PolarHBondContact O-N 2.88Å; V59-V78 HydrophobicContact CG2-CG1 3.8Å; V59-V78 HydrophobicContact CG2-CG2 4.17Å; V59-F82 HydrophobicContact CG2-CE1 4.44Å; V59-F82 HydrophobicContact CG2-CE2 4.1Å; V59-F82 HydrophobicContact CG2-CZ 3.56Å; V59-L96 HydrophobicContact CB-CD2 4.28Å; V59-L96 HydrophobicContact CG1-CD2 4.2Å; V59-L96 HydrophobicContact CG2-CD2 3.97Å; V59-I99 VanDerWaalsContact C-CD1 3.48Å; V59-I99 HydrophobicContact CG1-CD1 3.71Å; V59-I99 WeakPolarHBondContact O-CD1 3.46Å |
| 60 | K | 65.9 | Low | 61.8 | Low | 120 Ų | 120 | 67.1 Ų | 67.1 | 52% | 0.522 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.7 | -27.3 | 176.3 | -77.3 | 174.5 | -178.8 | 173.9 | 0 | 114.7 | S56 L57 P97 | S56-K60 WeakPolarHBondContact O-CB 3.48Å; S56-K60 VanDerWaalsContact O-CG 3.26Å; S56-K60 WeakPolarHBondContact O-CG 3.32Å; S56-K60 PolarHBondContact O-N 3.01Å; L57-K60 PolarHBondContact O-N 2.84Å; K60-P97 HydrophobicContact CG-CG 4.45Å |
| 61 | T | 62.1 | Low | 61.2 | Low | 45 Ų | 45 | 65.5 Ų | 65.5 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -110.5 | -7.5 | -175.7 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | L57 G58 V59 F63 R64 | L57-T61 WeakPolarHBondContact O-CB 3.47Å; L57-T61 WeakPolarHBondContact O-CG2 3.46Å; L57-T61 PolarHBondContact O-N 2.71Å; L57-T61 PolarHBondContact O-OG1 3.17Å; G58-T61 CarbonylContact O-C 3.52Å; G58-T61 PolarHBondContact O-N 3.49Å; G58-T61 PolarHBondContact O-OG1 2.95Å; V59-T61 PolarHBondContact O-N 3.43Å; V59-T61 VanDerWaalsContact O-N 3.16Å; T61-F63 PolarHBondContact O-N 2.92Å; T61-F63 VanDerWaalsContact O-N 3.09Å; T61-R64 PolarHBondContact O-N 3.4Å |
| 62 | Y | 59.5 | Low | 60.8 | Low | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -52.5 | -41.1 | -172.7 | -176.9 | -81.1 | 0 | 0 | 0 | 110.6 | G58 V59 A66 R75 V78 D79 I107 | G58-Y62 VanDerWaalsContact O-CA 3.24Å; G58-Y62 WeakPolarHBondContact O-CA 3.38Å; G58-Y62 WeakPolarHBondContact O-CB 3.27Å; G58-Y62 PolarHBondContact O-N 2.9Å; V59-Y62 WeakPolarHBondContact O-CB 3.46Å; V59-Y62 PolarHBondContact O-N 2.88Å; Y62-A66 VanDerWaalsContact O-CA 3.29Å; Y62-A66 WeakPolarHBondContact O-CA 3.38Å; Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.23Å; Y62-A66 PolarHBondContact O-N 2.86Å; Y62-R75 HydrophobicContact CD1-CG 4.16Å; Y62-R75 HydrophobicContact CD2-CB 4.2Å; Y62-R75 HydrophobicContact CD2-CG 3.73Å; Y62-R75 HydrophobicContact CE1-CG 3.68Å; Y62-R75 HydrophobicContact CE2-CB 4.04Å; Y62-R75 HydrophobicContact CE2-CG 3.26Å; Y62-R75 WeakPolarHBondContact CE2-O 3.42Å; Y62-R75 HydrophobicContact CG-CG 4.21Å; Y62-R75 WeakPolarHBondContact OH-CG 3.2Å; Y62-V78 HydrophobicContact CD2-CB 3.36Å; Y62-V78 HydrophobicContact CD2-CG1 3.36Å; Y62-V78 HydrophobicContact CD2-CG2 3.91Å; Y62-V78 HydrophobicContact CE2-CB 3.63Å; Y62-V78 HydrophobicContact CE2-CG1 3.62Å; Y62-V78 HydrophobicContact CG-CG1 4.23Å; Y62-D79 PolarHBondContact OH-OD1 3.32Å; Y62-D79 PolarHBondContact OH-OD2 2.98Å; Y62-I107 HydrophobicContact CD1-CD1 4.47Å; Y62-I107 HydrophobicContact CE1-CD1 4.26Å |
| 63 | F | 53.1 | Low | 60.5 | Low | 21 Ų | 21 | 69.3 Ų | 69.3 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -32.5 | -175.4 | -73.3 | -62.5 | 0 | 0 | 0 | 114 | T61 G65 A66 D104 P105 I107 | T61-F63 PolarHBondContact O-N 2.92Å; T61-F63 VanDerWaalsContact O-N 3.09Å; F63-G65 PolarHBondContact O-N 3.37Å; F63-A66 HydrophobicContact CD1-CB 4.19Å; F63-A66 PolarHBondContact O-N 3.48Å; F63-D104 HydrophobicContact CB-CB 3.62Å; F63-D104 WeakPolarHBondContact CB-OD1 3.3Å; F63-D104 HydrophobicContact CG-CB 4.49Å; F63-P105 HydrophobicContact CD1-CB 3.51Å; F63-P105 VanDerWaalsContact CD1-CD 3.48Å; F63-P105 HydrophobicContact CD1-CG 3.61Å; F63-P105 WeakPolarHBondContact CD1-O 3.44Å; F63-P105 WeakPolarHBondContact CD2-O 3.47Å; F63-P105 HydrophobicContact CE1-CB 3.53Å; F63-P105 HydrophobicContact CE1-CG 4.06Å; F63-P105 WeakPolarHBondContact CE1-O 3.35Å; F63-P105 WeakPolarHBondContact CE2-O 3.33Å; F63-P105 HydrophobicContact CG-CB 4.16Å; F63-P105 HydrophobicContact CG-CG 4.34Å; F63-P105 WeakPolarHBondContact CG-O 3.5Å; F63-P105 HydrophobicContact CZ-CB 4.21Å; F63-P105 WeakPolarHBondContact CZ-O 3.42Å; F63-I107 HydrophobicContact CE2-CB 4.3Å; F63-I107 HydrophobicContact CE2-CD1 3.53Å; F63-I107 HydrophobicContact CE2-CG1 3.59Å; F63-I107 HydrophobicContact CZ-CD1 3.64Å; F63-I107 HydrophobicContact CZ-CG1 3.69Å |
| 64 | R | 52.7 | Low | 60.2 | Low | 192 Ų | 192 | 65 Ų | 65 | 73% | 0.725 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.6 | -177.7 | -136.9 | 176.6 | -178.4 | -176.8 | 1.6 | 113.6 | T61 D104 | T61-R64 PolarHBondContact O-N 3.4Å; R64-D104 WeakPolarHBondContact CA-OD1 3.37Å; R64-D104 PolarHBondContact N-OD1 2.85Å |
| 65 | G | 50.5 | Low | 59.9 | Low | 8 Ų | 8 | 66.3 Ų | 66.3 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -152.1 | 37.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F63 F67 T68 N71 | F63-G65 PolarHBondContact O-N 3.37Å; G65-F67 PolarHBondContact O-N 3.01Å; G65-T68 VanDerWaalsContact CA-OG1 3.23Å; G65-T68 WeakPolarHBondContact CA-OG1 3.42Å; G65-T68 PolarHBondContact O-N 3.38Å; G65-T68 PolarHBondContact O-OG1 3.39Å; G65-N71 WeakPolarHBondContact CA-ND2 3.18Å; G65-N71 WeakPolarHBondContact O-CB 3.41Å |
| 66 | A | 49.4 | Very low | 59.6 | Low | 11 Ų | 11 | 68 Ų | 68 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y62 F63 R75 | Y62-A66 VanDerWaalsContact O-CA 3.29Å; Y62-A66 WeakPolarHBondContact O-CA 3.38Å; Y62-A66 VanDerWaalsContact O-CB 3.31Å; Y62-A66 WeakPolarHBondContact O-CB 3.23Å; Y62-A66 PolarHBondContact O-N 2.86Å; F63-A66 HydrophobicContact CD1-CB 4.19Å; F63-A66 PolarHBondContact O-N 3.48Å; A66-R75 PolarHBondContact O-NH1 3.36Å |
| 67 | F | 50.2 | Low | 59.4 | Low | 130 Ų | 130 | 69.8 Ų | 69.8 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -6.6 | 178.3 | -53.5 | -73.2 | 0 | 0 | 0 | 113.7 | G65 L142 | G65-F67 PolarHBondContact O-N 3.01Å; F67-L142 HydrophobicContact CE2-CD1 3.52Å; F67-L142 HydrophobicContact CZ-CD1 3.89Å |
| 68 | T | 51.4 | Low | 59.5 | Low | 78 Ų | 78 | 64.2 Ų | 64.2 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -83.6 | 123.8 | 171.8 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | G65 A70 N71 | G65-T68 VanDerWaalsContact CA-OG1 3.23Å; G65-T68 WeakPolarHBondContact CA-OG1 3.42Å; G65-T68 PolarHBondContact O-N 3.38Å; G65-T68 PolarHBondContact O-OG1 3.39Å; T68-A70 PolarHBondContact O-N 2.81Å; T68-N71 PolarHBondContact O-N 3.36Å |
| 69 | Y | 51.5 | Low | 59.4 | Low | 213 Ų | 213 | 65.6 Ų | 65.6 | 84% | 0.835 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -54.8 | -32.3 | -175.4 | -155.7 | -90.8 | 0 | 0 | 0 | 113.1 | N71 S72 | Y69-N71 PolarHBondContact O-N 2.83Å; Y69-S72 WeakPolarHBondContact O-CB 3.48Å; Y69-S72 PolarHBondContact O-N 3.49Å; Y69-S72 PolarHBondContact O-OG 3.33Å |
| 70 | A | 56 | Low | 59.6 | Low | 88 Ų | 88 | 70 Ų | 70 | 73% | 0.727 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -60.9 | -26.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T68 | T68-A70 PolarHBondContact O-N 2.81Š|
| 71 | N | 57.7 | Low | 59.8 | Low | 48 Ų | 48 | 64.3 Ų | 64.3 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -93.6 | 1.9 | -178.8 | -73.4 | -1.1 | 0 | 0 | 0 | 113.3 | G65 T68 Y69 A73 V74 R75 | G65-N71 WeakPolarHBondContact CA-ND2 3.18Å; G65-N71 WeakPolarHBondContact O-CB 3.41Å; T68-N71 PolarHBondContact O-N 3.36Å; Y69-N71 PolarHBondContact O-N 2.83Å; N71-A73 VanDerWaalsContact C-N 3.26Å; N71-A73 PolarHBondContact O-N 3.43Å; N71-V74 PolarHBondContact O-N 3.26Å; N71-R75 WeakPolarHBondContact O-CB 2.99Å; N71-R75 PolarHBondContact O-N 2.9Å |
| 72 | S | 60.4 | Low | 60.2 | Low | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.2 | -37.5 | -179.6 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | Y69 G76 | Y69-S72 WeakPolarHBondContact O-CB 3.48Å; Y69-S72 PolarHBondContact O-N 3.49Å; Y69-S72 PolarHBondContact O-OG 3.33Å; S72-G76 PolarHBondContact O-N 2.88Å |
| 73 | A | 63.2 | Low | 60.5 | Low | 75 Ų | 75 | 70.5 Ų | 70.5 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.6 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N71 R75 G76 Y77 | N71-A73 VanDerWaalsContact C-N 3.26Å; N71-A73 PolarHBondContact O-N 3.43Å; A73-R75 VanDerWaalsContact C-N 3.34Å; A73-G76 PolarHBondContact O-N 3.36Å; A73-Y77 PolarHBondContact O-N 3.2Å |
| 74 | V | 64.3 | Low | 61.3 | Low | 51 Ų | 51 | 74.9 Ų | 74.9 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | N71 Y77 V78 | N71-V74 PolarHBondContact O-N 3.26Å; V74-Y77 PolarHBondContact O-N 2.89Å; V74-V78 WeakPolarHBondContact O-CG2 3.43Å; V74-V78 PolarHBondContact O-N 2.66Å; V74-V78 VanDerWaalsContact O-N 3.07Å |
| 75 | R | 63 | Low | 62.1 | Low | 98 Ų | 98 | 66.7 Ų | 66.7 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 174.1 | -160.5 | -176.1 | 75.5 | -171.9 | 4.6 | 111.5 | Y62 A66 N71 A73 Y77 V78 D79 | Y62-R75 HydrophobicContact CD1-CG 4.16Å; Y62-R75 HydrophobicContact CD2-CB 4.2Å; Y62-R75 HydrophobicContact CD2-CG 3.73Å; Y62-R75 HydrophobicContact CE1-CG 3.68Å; Y62-R75 HydrophobicContact CE2-CB 4.04Å; Y62-R75 HydrophobicContact CE2-CG 3.26Å; Y62-R75 WeakPolarHBondContact CE2-O 3.42Å; Y62-R75 HydrophobicContact CG-CG 4.21Å; Y62-R75 WeakPolarHBondContact OH-CG 3.2Å; A66-R75 PolarHBondContact O-NH1 3.36Å; N71-R75 WeakPolarHBondContact O-CB 2.99Å; N71-R75 PolarHBondContact O-N 2.9Å; A73-R75 VanDerWaalsContact C-N 3.34Å; R75-Y77 VanDerWaalsContact C-N 3.29Å; R75-Y77 PolarHBondContact O-N 3.45Å; R75-V78 PolarHBondContact O-N 2.86Å; R75-D79 WeakPolarHBondContact O-CB 3.07Å; R75-D79 PolarHBondContact O-N 2.87Å |
| 76 | G | 66.2 | Low | 62.8 | Low | 36 Ų | 36 | 67.9 Ų | 67.9 | 37% | 0.371 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S72 A73 W80 | S72-G76 PolarHBondContact O-N 2.88Å; A73-G76 PolarHBondContact O-N 3.36Å; G76-W80 WeakPolarHBondContact O-CB 3.26Å; G76-W80 PolarHBondContact O-N 3.25Å |
| 77 | Y | 67.4 | Low | 63.8 | Low | 65 Ų | 65 | 67.3 Ų | 67.3 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 177.4 | -177.8 | -105.2 | 0 | 0 | 0 | 112.3 | V54 L55 A73 V74 R75 W80 V81 | V54-Y77 HydrophobicContact CG1-CD1 4.05Å; V54-Y77 HydrophobicContact CG1-CE1 3.86Å; L55-Y77 HydrophobicContact CB-CE1 4.44Å; A73-Y77 PolarHBondContact O-N 3.2Å; V74-Y77 PolarHBondContact O-N 2.89Å; R75-Y77 VanDerWaalsContact C-N 3.29Å; R75-Y77 PolarHBondContact O-N 3.45Å; Y77-W80 HydrophobicContact CE2-CE3 4.38Å; Y77-W80 HydrophobicContact CE2-CZ3 4.38Å; Y77-W80 WeakPolarHBondContact O-CB 3.48Å; Y77-W80 PolarHBondContact O-N 3.42Å; Y77-V81 HydrophobicContact CD1-CG2 4.45Å; Y77-V81 HydrophobicContact CE1-CG2 4.07Å; Y77-V81 HydrophobicContact CE2-CG2 4.46Å; Y77-V81 WeakPolarHBondContact O-CG2 3.24Å; Y77-V81 PolarHBondContact O-N 2.81Å |
| 78 | V | 69.9 | Low | 64.6 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 178.6 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L55 V59 Y62 V74 R75 W80 V81 F82 | L55-V78 HydrophobicContact CD1-CG2 4.35Å; V59-V78 HydrophobicContact CG2-CG1 3.8Å; V59-V78 HydrophobicContact CG2-CG2 4.17Å; Y62-V78 HydrophobicContact CD2-CB 3.36Å; Y62-V78 HydrophobicContact CD2-CG1 3.36Å; Y62-V78 HydrophobicContact CD2-CG2 3.91Å; Y62-V78 HydrophobicContact CE2-CB 3.63Å; Y62-V78 HydrophobicContact CE2-CG1 3.62Å; Y62-V78 HydrophobicContact CG-CG1 4.23Å; V74-V78 WeakPolarHBondContact O-CG2 3.43Å; V74-V78 PolarHBondContact O-N 2.66Å; V74-V78 VanDerWaalsContact O-N 3.07Å; R75-V78 PolarHBondContact O-N 2.86Å; V78-W80 VanDerWaalsContact C-N 3.27Å; V78-W80 PolarHBondContact O-N 3.45Å; V78-V81 PolarHBondContact O-N 3.33Å; V78-F82 HydrophobicContact CG1-CD2 3.47Å; V78-F82 VanDerWaalsContact CG1-CD2 3.47Å; V78-F82 HydrophobicContact CG1-CE2 3.15Å; V78-F82 HydrophobicContact CG1-CG 4.38Å; V78-F82 HydrophobicContact CG1-CZ 3.86Å; V78-F82 WeakPolarHBondContact O-CB 3.14Å; V78-F82 WeakPolarHBondContact O-CD2 3.2Å; V78-F82 VanDerWaalsContact O-CG 3.3Å; V78-F82 WeakPolarHBondContact O-CG 3.42Å; V78-F82 PolarHBondContact O-N 2.96Å |
| 79 | D | 67.5 | Low | 65.2 | Low | 30 Ų | 30 | 59.9 Ų | 59.9 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 172.4 | -88.7 | -28.6 | 0 | 0 | 0 | 110.7 | Y62 R75 F82 Q83 K121 | Y62-D79 PolarHBondContact OH-OD1 3.32Å; Y62-D79 PolarHBondContact OH-OD2 2.98Å; R75-D79 WeakPolarHBondContact O-CB 3.07Å; R75-D79 PolarHBondContact O-N 2.87Å; D79-F82 PolarHBondContact O-N 3.44Å; D79-Q83 VanDerWaalsContact O-CB 3.24Å; D79-Q83 WeakPolarHBondContact O-CB 3.11Å; D79-Q83 VanDerWaalsContact O-CG 3.26Å; D79-Q83 WeakPolarHBondContact O-CG 3.03Å; D79-Q83 PolarHBondContact O-N 3.37Å; D79-K121 IonicContact OD1-NZ 3.28Å; D79-K121 PolarHBondContact OD1-NZ 3.41Å |
| 80 | W | 70.6 | Confident | 65.7 | Low | 100 Ų | 100 | 50.2 Ų | 50.2 | 38% | 0.379 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 177.3 | 175.3 | 86.1 | 0 | 0 | 0 | 111.8 | G76 Y77 V78 F82 K84 I85 | G76-W80 WeakPolarHBondContact O-CB 3.26Å; G76-W80 PolarHBondContact O-N 3.25Å; Y77-W80 HydrophobicContact CE2-CE3 4.38Å; Y77-W80 HydrophobicContact CE2-CZ3 4.38Å; Y77-W80 WeakPolarHBondContact O-CB 3.48Å; Y77-W80 PolarHBondContact O-N 3.42Å; V78-W80 VanDerWaalsContact C-N 3.27Å; V78-W80 PolarHBondContact O-N 3.45Å; W80-F82 VanDerWaalsContact C-N 3.32Å; W80-F82 PolarHBondContact O-N 2.99Å; W80-K84 HydrophobicContact CD2-CD 4.48Å; W80-K84 VanDerWaalsContact CE2-CD 3.49Å; W80-K84 HydrophobicContact CH2-CD 4.45Å; W80-K84 HydrophobicContact CZ2-CD 3.48Å; W80-K84 VanDerWaalsContact CZ2-CD 3.48Å; W80-K84 WeakPolarHBondContact O-CA 3.49Å; W80-K84 WeakPolarHBondContact O-CB 3.41Å; W80-K84 PolarHBondContact O-N 3.47Å; W80-I85 HydrophobicContact CZ3-CD1 4.31Å |
| 81 | V | 70 | Confident | 66 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -58.7 | -47.2 | 175.6 | 167.2 | 0 | 0 | 0 | 0 | 110.1 | L55 Y77 V78 I85 G86 | L55-V81 HydrophobicContact CD1-CB 3.97Å; L55-V81 HydrophobicContact CD1-CG1 3.73Å; L55-V81 HydrophobicContact CD1-CG2 4.05Å; L55-V81 HydrophobicContact CD2-CG1 3.91Å; L55-V81 HydrophobicContact CG-CG1 4.49Å; Y77-V81 HydrophobicContact CD1-CG2 4.45Å; Y77-V81 HydrophobicContact CE1-CG2 4.07Å; Y77-V81 HydrophobicContact CE2-CG2 4.46Å; Y77-V81 WeakPolarHBondContact O-CG2 3.24Å; Y77-V81 PolarHBondContact O-N 2.81Å; V78-V81 PolarHBondContact O-N 3.33Å; V81-I85 HydrophobicContact CG1-CD1 4.2Å; V81-I85 HydrophobicContact CG2-CD1 4.39Å; V81-I85 WeakPolarHBondContact O-CA 3.48Å; V81-I85 WeakPolarHBondContact O-CB 3.37Å; V81-I85 PolarHBondContact O-N 3.07Å; V81-G86 PolarHBondContact O-N 2.81Å |
| 82 | F | 69.8 | Low | 65.7 | Low | 18 Ų | 18 | 51.8 Ų | 51.8 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -69.2 | -42.9 | -177.3 | -71.2 | -23.9 | 0 | 0 | 0 | 114 | V59 V78 D79 W80 G86 L96 I107 I119 | V59-F82 HydrophobicContact CG2-CE1 4.44Å; V59-F82 HydrophobicContact CG2-CE2 4.1Å; V59-F82 HydrophobicContact CG2-CZ 3.56Å; V78-F82 HydrophobicContact CG1-CD2 3.47Å; V78-F82 VanDerWaalsContact CG1-CD2 3.47Å; V78-F82 HydrophobicContact CG1-CE2 3.15Å; V78-F82 HydrophobicContact CG1-CG 4.38Å; V78-F82 HydrophobicContact CG1-CZ 3.86Å; V78-F82 WeakPolarHBondContact O-CB 3.14Å; V78-F82 WeakPolarHBondContact O-CD2 3.2Å; V78-F82 VanDerWaalsContact O-CG 3.3Å; V78-F82 WeakPolarHBondContact O-CG 3.42Å; V78-F82 PolarHBondContact O-N 2.96Å; D79-F82 PolarHBondContact O-N 3.44Å; W80-F82 VanDerWaalsContact C-N 3.32Å; W80-F82 PolarHBondContact O-N 2.99Å; F82-G86 WeakPolarHBondContact O-CA 3.49Å; F82-G86 PolarHBondContact O-N 3.23Å; F82-L96 HydrophobicContact CE1-CD1 3.42Å; F82-L96 VanDerWaalsContact CE1-CD1 3.42Å; F82-L96 HydrophobicContact CZ-CD1 3.78Å; F82-I107 HydrophobicContact CD2-CD1 3.75Å; F82-I107 HydrophobicContact CD2-CG2 4.16Å; F82-I107 HydrophobicContact CE2-CB 4.35Å; F82-I107 HydrophobicContact CE2-CD1 3.53Å; F82-I107 HydrophobicContact CE2-CG1 4.48Å; F82-I107 HydrophobicContact CE2-CG2 3.7Å; F82-I107 HydrophobicContact CZ-CG2 4.13Å; F82-I119 HydrophobicContact CB-CD1 3.63Å; F82-I119 HydrophobicContact CB-CG2 4.37Å; F82-I119 HydrophobicContact CD1-CD1 3.39Å; F82-I119 HydrophobicContact CD1-CG1 4.07Å; F82-I119 HydrophobicContact CD1-CG2 4.33Å; F82-I119 HydrophobicContact CD2-CG2 4.24Å; F82-I119 HydrophobicContact CE1-CD1 4.27Å; F82-I119 HydrophobicContact CG-CD1 3.74Å; F82-I119 HydrophobicContact CG-CG1 4.48Å; F82-I119 HydrophobicContact CG-CG2 4.08Å; F82-I119 WeakPolarHBondContact O-CD1 3.42Å |
| 83 | Q | 66.7 | Low | 65.2 | Low | 160 Ų | 160 | 54.6 Ų | 54.6 | 75% | 0.748 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -75.4 | -38.9 | -179.9 | -70.4 | 178.4 | -4.8 | 0 | 0 | 112.6 | D79 | D79-Q83 VanDerWaalsContact O-CB 3.24Å; D79-Q83 WeakPolarHBondContact O-CB 3.11Å; D79-Q83 VanDerWaalsContact O-CG 3.26Å; D79-Q83 WeakPolarHBondContact O-CG 3.03Å; D79-Q83 PolarHBondContact O-N 3.37Å |
| 84 | K | 68.2 | Low | 64.7 | Low | 113 Ų | 113 | 52.8 Ų | 52.8 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -87 | -43.4 | -174.7 | -166.2 | -173.1 | 175.8 | -160.5 | 0 | 112.1 | W80 E185 | W80-K84 HydrophobicContact CD2-CD 4.48Å; W80-K84 VanDerWaalsContact CE2-CD 3.49Å; W80-K84 HydrophobicContact CH2-CD 4.45Å; W80-K84 HydrophobicContact CZ2-CD 3.48Å; W80-K84 VanDerWaalsContact CZ2-CD 3.48Å; W80-K84 WeakPolarHBondContact O-CA 3.49Å; W80-K84 WeakPolarHBondContact O-CB 3.41Å; W80-K84 PolarHBondContact O-N 3.47Å; K84-E185 VanDerWaalsContact NZ-CD 3.34Å; K84-E185 IonicContact NZ-OE1 2.69Å; K84-E185 PolarHBondContact NZ-OE1 3Å; K84-E185 IonicContact NZ-OE2 3.49Å; K84-E185 PolarHBondContact NZ-OE2 2.86Å |
| 85 | I | 70.2 | Confident | 64.3 | Low | 20 Ų | 20 | 53.8 Ų | 53.8 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -91.2 | -35 | -174.7 | -51.5 | -174.5 | 0 | 0 | 0 | 111 | W80 V81 C87 Q181 L182 | W80-I85 HydrophobicContact CZ3-CD1 4.31Å; V81-I85 HydrophobicContact CG1-CD1 4.2Å; V81-I85 HydrophobicContact CG2-CD1 4.39Å; V81-I85 WeakPolarHBondContact O-CA 3.48Å; V81-I85 WeakPolarHBondContact O-CB 3.37Å; V81-I85 PolarHBondContact O-N 3.07Å; I85-C87 HydrophobicContact CB-CB 4.49Å; I85-C87 HydrophobicContact CG2-CB 3.77Å; I85-C87 PolarHBondContact O-N 2.92Å; I85-Q181 HydrophobicContact CG2-CB 3.29Å; I85-Q181 HydrophobicContact CG2-CG 3.72Å; I85-L182 HydrophobicContact CD1-CD2 4.17Å; I85-L182 HydrophobicContact CD1-CG 4.22Å |
| 86 | G | 65.5 | Low | 64 | Low | 33 Ų | 33 | 49.7 Ų | 49.7 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | trans | 66.2 | 24.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V81 F82 | V81-G86 PolarHBondContact O-N 2.81Å; F82-G86 WeakPolarHBondContact O-CA 3.49Å; F82-G86 PolarHBondContact O-N 3.23Å | ||
| 87 | C | 69.7 | Low | 63.2 | Low | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 147.5 | -176.9 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | I85 I119 L176 C178 | I85-C87 HydrophobicContact CB-CB 4.49Å; I85-C87 HydrophobicContact CG2-CB 3.77Å; I85-C87 PolarHBondContact O-N 2.92Å; C87-I119 VanDerWaalsContact O-CD1 3.28Å; C87-I119 WeakPolarHBondContact O-CD1 3.48Å; C87-I119 WeakPolarHBondContact O-CG1 3.04Å; C87-L176 WeakPolarHBondContact CA-O 3.17Å; C87-L176 WeakPolarHBondContact CB-O 3.24Å; C87-C178 VanDerWaalsContact C-SG 3.6Å; C87-C178 HydrophobicContact CB-CB 3.78Å; C87-C178 WeakPolarHBondContact CB-SG 3.27Å; C87-C178 WeakPolarHBondContact SG-CA 3.34Å; C87-C178 WeakPolarHBondContact SG-CB 3.36Å; C87-C178 CovalentContact SG-SG 2.03Å; C87-C178 PolarHBondContact SG-SG 3.28Å |
| 88 | C | 68.2 | Low | 62.2 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | -12.8 | -174.5 | -120.4 | 0 | 0 | 0 | 0 | 114 | L96 C109 T116 G118 I119 A175 | C88-L96 PolarHBondContact O-N 2.83Å; C88-C109 WeakPolarHBondContact CA-SG 3.16Å; C88-C109 HydrophobicContact CB-CB 3.71Å; C88-C109 WeakPolarHBondContact CB-SG 3.46Å; C88-C109 PolarHBondContact O-SG 3.36Å; C88-C109 WeakPolarHBondContact SG-CA 3.32Å; C88-C109 WeakPolarHBondContact SG-CB 3.12Å; C88-C109 CovalentContact SG-SG 2.02Å; C88-C109 PolarHBondContact SG-SG 3.31Å; C88-T116 HydrophobicContact CB-CG2 3.73Å; C88-G118 PolarHBondContact SG-O 3.37Å; C88-I119 HydrophobicContact CB-CG1 4.32Å; C88-I119 WeakPolarHBondContact SG-CG1 3.18Å; C88-A175 HydrophobicContact CB-CB 3.74Å |
| 89 | E | 63.8 | Low | 61 | Low | 51 Ų | 51 | 51.9 Ų | 51.9 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125 | 176.9 | -73.3 | 172.9 | -170.5 | 0 | 0 | 108.7 | S91 S94 T116 C178 | E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S94 CarbonylContact C-O 3.59Å; E89-S94 WeakPolarHBondContact CA-O 3.33Å; E89-T116 PolarHBondContact OE1-OG1 2.81Å; E89-C178 WeakPolarHBondContact O-CB 3.36Å; E89-C178 PolarHBondContact O-N 3.33Å; E89-C178 PolarHBondContact O-SG 2.81Å; E89-C178 VanDerWaalsContact O-SG 3.33Å |
| 90 | L | 62.6 | Low | 59.5 | Low | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | -39.3 | 172.3 | -83.3 | 154 | 0 | 0 | 0 | 110 | E52 L55 S94 L96 N177 L179 | E52-L90 HydrophobicContact CG-CD2 3.4Å; L55-L90 HydrophobicContact CD2-CD2 4.25Å; L90-S94 WeakPolarHBondContact CB-OG 3.49Å; L90-S94 PolarHBondContact N-O 2.69Å; L90-L96 HydrophobicContact CD1-CD2 3.64Å; L90-L96 HydrophobicContact CD1-CG 4.29Å; L90-L96 HydrophobicContact CD2-CD2 4.18Å; L90-L96 HydrophobicContact CG-CD2 3.67Å; L90-L96 HydrophobicContact CG-CG 4.11Å; L90-N177 PolarHBondContact O-OD1 3.28Å; L90-L179 WeakPolarHBondContact O-CB 3.42Å |
| 91 | S | 60.7 | Low | 57.9 | Low | 30 Ų | 30 | 51.9 Ų | 51.9 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 173.1 | 174.9 | 75.5 | 0 | 0 | 0 | 0 | 110.7 | E89 S93 S94 | E89-S91 VanDerWaalsContact C-N 3.31Å; S91-S93 PolarHBondContact O-N 2.82Å; S91-S94 WeakPolarHBondContact CB-OG 3.17Å; S91-S94 PolarHBondContact N-O 3.44Å; S91-S94 PolarHBondContact N-OG 3.31Å; S91-S94 VanDerWaalsContact N-OG 3.1Å; S91-S94 PolarHBondContact O-N 3.37Å; S91-S94 WeakPolarHBondContact OG-CB 3.43Å; S91-S94 PolarHBondContact OG-N 2.89Å; S91-S94 PolarHBondContact OG-OG 3.36Å |
| 92 | D | 52.5 | Low | 56.5 | Low | 138 Ų | 138 | 58.3 Ų | 58.3 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -16.2 | -179.8 | -60.4 | -17.6 | 0 | 0 | 0 | 114.3 | N177 | D92-N177 PolarHBondContact N-ND2 2.03Å; D92-N177 PolarHBondContact OD1-ND2 3.33Å |
| 93 | S | 49.6 | Very low | 55 | Low | 117 Ų | 117 | 61.6 Ų | 61.6 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | -4 | 178.8 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | S91 | S91-S93 PolarHBondContact O-N 2.82Š|
| 94 | S | 52.5 | Low | 53.7 | Low | 38 Ų | 38 | 54.2 Ų | 54.2 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 112.9 | -175.7 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | E89 L90 S91 | E89-S94 CarbonylContact C-O 3.59Å; E89-S94 WeakPolarHBondContact CA-O 3.33Å; L90-S94 WeakPolarHBondContact CB-OG 3.49Å; L90-S94 PolarHBondContact N-O 2.69Å; S91-S94 WeakPolarHBondContact CB-OG 3.17Å; S91-S94 PolarHBondContact N-O 3.44Å; S91-S94 PolarHBondContact N-OG 3.31Å; S91-S94 VanDerWaalsContact N-OG 3.1Å; S91-S94 PolarHBondContact O-N 3.37Å; S91-S94 WeakPolarHBondContact OG-CB 3.43Å; S91-S94 PolarHBondContact OG-N 2.89Å; S91-S94 PolarHBondContact OG-OG 3.36Å |
| 95 | S | 55.7 | Low | 52.6 | Low | 71 Ų | 71 | 49.2 Ų | 49.2 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 153.1 | 167.8 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 96 | L | 56.7 | Low | 51.7 | Low | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 134.9 | 166.7 | -77.5 | 163.7 | 0 | 0 | 0 | 109.4 | V59 F82 C88 L90 F98 | V59-L96 HydrophobicContact CB-CD2 4.28Å; V59-L96 HydrophobicContact CG1-CD2 4.2Å; V59-L96 HydrophobicContact CG2-CD2 3.97Å; F82-L96 HydrophobicContact CE1-CD1 3.42Å; F82-L96 VanDerWaalsContact CE1-CD1 3.42Å; F82-L96 HydrophobicContact CZ-CD1 3.78Å; C88-L96 PolarHBondContact O-N 2.83Å; L90-L96 HydrophobicContact CD1-CD2 3.64Å; L90-L96 HydrophobicContact CD1-CG 4.29Å; L90-L96 HydrophobicContact CD2-CD2 4.18Å; L90-L96 HydrophobicContact CG-CD2 3.67Å; L90-L96 HydrophobicContact CG-CG 4.11Å; L96-F98 PolarHBondContact O-N 2.77Å |
| 97 | P | 49.8 | Very low | 51.2 | Low | 46 Ų | 46 | 47.6 Ų | 47.6 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -60 | 133.4 | -174 | 22.9 | -32 | 0 | 0 | 0 | 110.4 | K60 I99 | K60-P97 HydrophobicContact CG-CG 4.45Å; P97-I99 WeakPolarHBondContact O-CG1 3.37Å; P97-I99 PolarHBondContact O-N 3.43Å |
| 98 | F | 47.2 | Very low | 50.6 | Low | 83 Ų | 83 | 48 Ų | 48 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | trans | -60.5 | 100 | 165.5 | -173.1 | -109.9 | 0 | 0 | 0 | 107.5 | L96 G100 Y106 A108 L148 N151 | L96-F98 PolarHBondContact O-N 2.77Å; F98-G100 PolarHBondContact O-N 3.27Å; F98-Y106 HydrophobicContact CD1-CE1 4.32Å; F98-Y106 AromaticContact CD1-CZ 3.71Å; F98-Y106 WeakPolarHBondContact CD1-OH 3.46Å; F98-Y106 HydrophobicContact CD2-CD1 4.27Å; F98-Y106 AromaticContact CD2-CE1 3.09Å; F98-Y106 HydrophobicContact CD2-CE1 3.09Å; F98-Y106 AromaticContact CD2-CZ 3.34Å; F98-Y106 WeakPolarHBondContact CD2-OH 3.39Å; F98-Y106 HydrophobicContact CE1-CE1 4.24Å; F98-Y106 HydrophobicContact CE1-CE2 4.09Å; F98-Y106 AromaticContact CE1-CZ 3.45Å; F98-Y106 VanDerWaalsContact CE1-CZ 3.45Å; F98-Y106 WeakPolarHBondContact CE1-OH 3.36Å; F98-Y106 AromaticContact CE2-CD1 3.97Å; F98-Y106 HydrophobicContact CE2-CD1 3.97Å; F98-Y106 AromaticContact CE2-CE1 3Å; F98-Y106 HydrophobicContact CE2-CE1 3Å; F98-Y106 HydrophobicContact CE2-CE2 4.02Å; F98-Y106 AromaticContact CE2-CZ 3.09Å; F98-Y106 WeakPolarHBondContact CE2-OH 3.2Å; F98-Y106 AromaticContact CG-CE1 3.75Å; F98-Y106 HydrophobicContact CG-CE1 3.75Å; F98-Y106 AromaticContact CG-CZ 3.6Å; F98-Y106 WeakPolarHBondContact CG-OH 3.23Å; F98-Y106 AromaticContact CZ-CE1 3.58Å; F98-Y106 HydrophobicContact CZ-CE1 3.58Å; F98-Y106 AromaticContact CZ-CE2 3.68Å; F98-Y106 HydrophobicContact CZ-CE2 3.68Å; F98-Y106 AromaticContact CZ-CZ 3.08Å; F98-Y106 WeakPolarHBondContact CZ-OH 3.28Å; F98-Y106 PolarHBondContact O-OH 3.35Å; F98-A108 HydrophobicContact CD2-CB 4.44Å; F98-A108 HydrophobicContact CE2-CB 4.41Å; F98-L148 HydrophobicContact CZ-CB 4.27Å; F98-L148 WeakPolarHBondContact CZ-O 3.14Å; F98-N151 WeakPolarHBondContact CD2-OD1 3.3Å; F98-N151 WeakPolarHBondContact CE2-OD1 3.34Å | ||
| 99 | I | 44.5 | Very low | 50.4 | Low | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | trans | -85.4 | 92.5 | -179.1 | -55.5 | -177.7 | 0 | 0 | 0 | 109.5 | V59 P97 D104 Y106 | V59-I99 VanDerWaalsContact C-CD1 3.48Å; V59-I99 HydrophobicContact CG1-CD1 3.71Å; V59-I99 WeakPolarHBondContact O-CD1 3.46Å; P97-I99 WeakPolarHBondContact O-CG1 3.37Å; P97-I99 PolarHBondContact O-N 3.43Å; I99-D104 HydrophobicContact CG2-CB 3.51Å; I99-D104 WeakPolarHBondContact CG2-OD2 3.48Å; I99-Y106 PolarHBondContact N-OH 2.98Å; I99-Y106 WeakPolarHBondContact O-CD2 3.12Å; I99-Y106 WeakPolarHBondContact O-CE2 3.42Å; I99-Y106 PolarHBondContact O-OH 3.33Å | ||
| 100 | G | 35.6 | Very low | 50.4 | Low | 38 Ų | 38 | 46.5 Ų | 46.5 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | trans | -131.1 | 56 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | F98 Y106 | F98-G100 PolarHBondContact O-N 3.27Å; G100-Y106 WeakPolarHBondContact CA-OH 3.34Å; G100-Y106 PolarHBondContact N-OH 3.03Å | ||
| 101 | T | 36 | Very low | 50.4 | Low | 91 Ų | 91 | 50 Ų | 50 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -114.5 | 155.3 | 166.2 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | D103 D104 | T101-D103 PolarHBondContact O-N 2.89Å; T101-D104 PolarHBondContact O-N 3.29Å; T101-D104 VanDerWaalsContact O-N 3.15Å |
| 102 | Q | 40.5 | Very low | 50.6 | Low | 135 Ų | 135 | 52.1 Ų | 52.1 | 63% | 0.631 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -3.2 | -164.2 | -71.9 | -178.8 | -28.7 | 0 | 0 | 117.9 | Q143 | Q102-Q143 HydrophobicContact CB-CG 3.95Å; Q102-Q143 HydrophobicContact CG-CG 4.06Å; Q102-Q143 VanDerWaalsContact CG-NE2 3.31Å; Q102-Q143 WeakPolarHBondContact O-CG 3.35Å |
| 103 | D | 38.2 | Very low | 51.2 | Low | 87 Ų | 87 | 53 Ų | 53 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -1.6 | -174.6 | -61.3 | -40.4 | 0 | 0 | 0 | 114.5 | T101 | T101-D103 PolarHBondContact O-N 2.89Š|
| 104 | D | 39.6 | Very low | 51.8 | Low | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.032 | 30% | 0.297 | C | S | . | . | trans | -125.8 | 122.8 | -169.3 | -72.7 | -35.5 | 0 | 0 | 0 | 113.7 | F63 R64 I99 T101 Y106 | F63-D104 HydrophobicContact CB-CB 3.62Å; F63-D104 WeakPolarHBondContact CB-OD1 3.3Å; F63-D104 HydrophobicContact CG-CB 4.49Å; R64-D104 WeakPolarHBondContact CA-OD1 3.37Å; R64-D104 PolarHBondContact N-OD1 2.85Å; I99-D104 HydrophobicContact CG2-CB 3.51Å; I99-D104 WeakPolarHBondContact CG2-OD2 3.48Å; T101-D104 PolarHBondContact O-N 3.29Å; T101-D104 VanDerWaalsContact O-N 3.15Å; D104-Y106 PolarHBondContact O-N 3.36Å | ||
| 105 | P | 46.2 | Very low | 52.1 | Low | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.045 | 31% | 0.311 | C | S | . | . | trans | -61.3 | 127.9 | 167.7 | -25.1 | 30.4 | 0 | 0 | 0 | 113 | F63 Y127 L142 | F63-P105 HydrophobicContact CD1-CB 3.51Å; F63-P105 VanDerWaalsContact CD1-CD 3.48Å; F63-P105 HydrophobicContact CD1-CG 3.61Å; F63-P105 WeakPolarHBondContact CD1-O 3.44Å; F63-P105 WeakPolarHBondContact CD2-O 3.47Å; F63-P105 HydrophobicContact CE1-CB 3.53Å; F63-P105 HydrophobicContact CE1-CG 4.06Å; F63-P105 WeakPolarHBondContact CE1-O 3.35Å; F63-P105 WeakPolarHBondContact CE2-O 3.33Å; F63-P105 HydrophobicContact CG-CB 4.16Å; F63-P105 HydrophobicContact CG-CG 4.34Å; F63-P105 WeakPolarHBondContact CG-O 3.5Å; F63-P105 HydrophobicContact CZ-CB 4.21Å; F63-P105 WeakPolarHBondContact CZ-O 3.42Å; P105-Y127 VanDerWaalsContact CA-CZ 3.46Å; P105-Y127 VanDerWaalsContact CA-OH 3.31Å; P105-Y127 WeakPolarHBondContact CA-OH 3.31Å; P105-Y127 HydrophobicContact CB-CE1 3.83Å; P105-Y127 HydrophobicContact CB-CE2 3.95Å; P105-Y127 VanDerWaalsContact CB-CZ 3.43Å; P105-Y127 VanDerWaalsContact CB-OH 3.28Å; P105-Y127 WeakPolarHBondContact CB-OH 3.37Å; P105-L142 HydrophobicContact CG-CB 3.89Å; P105-L142 HydrophobicContact CG-CD1 3.73Å; P105-L142 HydrophobicContact CG-CD2 4.3Å; P105-L142 HydrophobicContact CG-CG 4.18Å | ||
| 106 | Y | 51.8 | Low | 52.5 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | trans | -53.1 | 128.8 | 176.3 | -115.1 | -76.9 | 0 | 0 | 0 | 118.2 | F98 I99 G100 D104 A108 Y127 L148 | F98-Y106 HydrophobicContact CD1-CE1 4.32Å; F98-Y106 AromaticContact CD1-CZ 3.71Å; F98-Y106 WeakPolarHBondContact CD1-OH 3.46Å; F98-Y106 HydrophobicContact CD2-CD1 4.27Å; F98-Y106 AromaticContact CD2-CE1 3.09Å; F98-Y106 HydrophobicContact CD2-CE1 3.09Å; F98-Y106 AromaticContact CD2-CZ 3.34Å; F98-Y106 WeakPolarHBondContact CD2-OH 3.39Å; F98-Y106 HydrophobicContact CE1-CE1 4.24Å; F98-Y106 HydrophobicContact CE1-CE2 4.09Å; F98-Y106 AromaticContact CE1-CZ 3.45Å; F98-Y106 VanDerWaalsContact CE1-CZ 3.45Å; F98-Y106 WeakPolarHBondContact CE1-OH 3.36Å; F98-Y106 AromaticContact CE2-CD1 3.97Å; F98-Y106 HydrophobicContact CE2-CD1 3.97Å; F98-Y106 AromaticContact CE2-CE1 3Å; F98-Y106 HydrophobicContact CE2-CE1 3Å; F98-Y106 HydrophobicContact CE2-CE2 4.02Å; F98-Y106 AromaticContact CE2-CZ 3.09Å; F98-Y106 WeakPolarHBondContact CE2-OH 3.2Å; F98-Y106 AromaticContact CG-CE1 3.75Å; F98-Y106 HydrophobicContact CG-CE1 3.75Å; F98-Y106 AromaticContact CG-CZ 3.6Å; F98-Y106 WeakPolarHBondContact CG-OH 3.23Å; F98-Y106 AromaticContact CZ-CE1 3.58Å; F98-Y106 HydrophobicContact CZ-CE1 3.58Å; F98-Y106 AromaticContact CZ-CE2 3.68Å; F98-Y106 HydrophobicContact CZ-CE2 3.68Å; F98-Y106 AromaticContact CZ-CZ 3.08Å; F98-Y106 WeakPolarHBondContact CZ-OH 3.28Å; F98-Y106 PolarHBondContact O-OH 3.35Å; I99-Y106 PolarHBondContact N-OH 2.98Å; I99-Y106 WeakPolarHBondContact O-CD2 3.12Å; I99-Y106 WeakPolarHBondContact O-CE2 3.42Å; I99-Y106 PolarHBondContact O-OH 3.33Å; G100-Y106 WeakPolarHBondContact CA-OH 3.34Å; G100-Y106 PolarHBondContact N-OH 3.03Å; D104-Y106 PolarHBondContact O-N 3.36Å; Y106-A108 HydrophobicContact CD1-CB 3.69Å; Y106-A108 HydrophobicContact CE1-CB 3.98Å; Y106-Y127 WeakPolarHBondContact CA-OH 3.29Å; Y106-Y127 PolarHBondContact N-OH 3.14Å; Y106-Y127 PolarHBondContact O-OH 3.18Å; Y106-L148 HydrophobicContact CD1-CD2 4.2Å; Y106-L148 HydrophobicContact CD2-CD2 4.08Å; Y106-L148 HydrophobicContact CE2-CD2 4.48Å; Y106-L148 HydrophobicContact CG-CD2 3.94Å | ||
| 107 | I | 53.5 | Low | 52.6 | Low | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 109.7 | 147.6 | -68.1 | 170.1 | 0 | 0 | 0 | 107.4 | Y62 F63 F82 I119 M120 | Y62-I107 HydrophobicContact CD1-CD1 4.47Å; Y62-I107 HydrophobicContact CE1-CD1 4.26Å; F63-I107 HydrophobicContact CE2-CB 4.3Å; F63-I107 HydrophobicContact CE2-CD1 3.53Å; F63-I107 HydrophobicContact CE2-CG1 3.59Å; F63-I107 HydrophobicContact CZ-CD1 3.64Å; F63-I107 HydrophobicContact CZ-CG1 3.69Å; F82-I107 HydrophobicContact CD2-CD1 3.75Å; F82-I107 HydrophobicContact CD2-CG2 4.16Å; F82-I107 HydrophobicContact CE2-CB 4.35Å; F82-I107 HydrophobicContact CE2-CD1 3.53Å; F82-I107 HydrophobicContact CE2-CG1 4.48Å; F82-I107 HydrophobicContact CE2-CG2 3.7Å; F82-I107 HydrophobicContact CZ-CG2 4.13Å; I107-I119 HydrophobicContact CG2-CG2 3.2Å; I107-M120 VanDerWaalsContact CA-O 3.29Å; I107-M120 WeakPolarHBondContact CA-O 3.32Å |
| 108 | A | 56.9 | Low | 53.1 | Low | 7 Ų | 7 | 50 Ų | 50 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 139.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F98 Y106 I110 M120 | F98-A108 HydrophobicContact CD2-CB 4.44Å; F98-A108 HydrophobicContact CE2-CB 4.41Å; Y106-A108 HydrophobicContact CD1-CB 3.69Å; Y106-A108 HydrophobicContact CE1-CB 3.98Å; A108-I110 PolarHBondContact O-N 3.18Å; A108-M120 PolarHBondContact N-O 3.32Å; A108-M120 PolarHBondContact O-N 3.28Å |
| 109 | C | 64.7 | Low | 53.8 | Low | 10 Ų | 10 | 46.9 Ų | 46.9 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 111.5 | 161 | -65.8 | 0 | 0 | 0 | 0 | 108 | C88 E111 T116 G118 N151 | C88-C109 WeakPolarHBondContact CA-SG 3.16Å; C88-C109 HydrophobicContact CB-CB 3.71Å; C88-C109 WeakPolarHBondContact CB-SG 3.46Å; C88-C109 PolarHBondContact O-SG 3.36Å; C88-C109 WeakPolarHBondContact SG-CA 3.32Å; C88-C109 WeakPolarHBondContact SG-CB 3.12Å; C88-C109 CovalentContact SG-SG 2.02Å; C88-C109 PolarHBondContact SG-SG 3.31Å; C109-E111 PolarHBondContact O-N 3.11Å; C109-T116 HydrophobicContact CB-CG2 3.63Å; C109-G118 CarbonylContact C-O 3.39Å; C109-G118 VanDerWaalsContact CA-O 3.31Å; C109-G118 WeakPolarHBondContact CA-O 3.2Å; C109-N151 WeakPolarHBondContact O-CB 3.36Å; C109-N151 PolarHBondContact O-ND2 3.33Å |
| 110 | I | 63.8 | Low | 54.6 | Low | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 129.3 | -179.5 | -56 | -177.6 | 0 | 0 | 0 | 107.7 | A108 T116 V117 G118 M120 T153 | A108-I110 PolarHBondContact O-N 3.18Å; I110-T116 CarbonylContact O-C 3.55Å; I110-T116 WeakPolarHBondContact O-CA 3.41Å; I110-V117 HydrophobicContact CB-CG2 3.95Å; I110-V117 HydrophobicContact CG2-CG2 3.7Å; I110-V117 VanDerWaalsContact O-CG2 3.24Å; I110-V117 WeakPolarHBondContact O-CG2 3.26Å; I110-V117 PolarHBondContact O-N 3.44Å; I110-G118 PolarHBondContact N-O 2.89Å; I110-M120 HydrophobicContact CD1-CB 3.64Å; I110-M120 HydrophobicContact CD1-CG 3.72Å; I110-M120 HydrophobicContact CD1-SD 3.83Å; I110-M120 HydrophobicContact CG1-CB 3.57Å; I110-M120 HydrophobicContact CG1-CG 4.17Å; I110-M120 HydrophobicContact CG1-SD 4.26Å; I110-T153 HydrophobicContact CD1-CG2 4.25Å; I110-T153 HydrophobicContact CG2-CG2 3.53Å |
| 111 | E | 63.6 | Low | 55.8 | Low | 85 Ų | 85 | 49.1 Ų | 49.1 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.1 | 168.1 | -67.5 | 174.5 | -165.2 | 0 | 0 | 109.7 | C109 L115 N151 | C109-E111 PolarHBondContact O-N 3.11Å; E111-L115 CarbonylContact C-O 3.54Å; E111-L115 VanDerWaalsContact CA-O 3.28Å; E111-L115 WeakPolarHBondContact CA-O 2.93Å; E111-N151 WeakPolarHBondContact CA-O 2.82Å; E111-N151 HydrophobicContact CB-CB 4.4Å; E111-N151 WeakPolarHBondContact CB-O 3.48Å; E111-N151 HydrophobicContact CG-CB 4.26Å; E111-N151 PolarHBondContact N-O 2.86Å; E111-N151 VanDerWaalsContact O-O 3.09Å |
| 112 | K | 63.3 | Low | 57 | Low | 74 Ų | 74 | 45.1 Ų | 45.1 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.8 | 171.3 | -172 | -175.6 | -167 | 169.8 | 0 | 108 | G114 L115 V117 E170 | K112-G114 PolarHBondContact O-N 2.89Å; K112-G114 VanDerWaalsContact O-N 3.16Å; K112-L115 PolarHBondContact N-O 2.95Å; K112-L115 PolarHBondContact O-N 3.36Å; K112-V117 HydrophobicContact CB-CG1 4.04Å; K112-V117 HydrophobicContact CB-CG2 3.7Å; K112-E170 WeakPolarHBondContact CD-OE1 3.29Å; K112-E170 WeakPolarHBondContact CE-OE1 3.31Å; K112-E170 IonicContact NZ-OE1 2.68Å; K112-E170 PolarHBondContact NZ-OE1 3.48Å; K112-E170 IonicContact NZ-OE2 2.96Å; K112-E170 PolarHBondContact NZ-OE2 3.35Å |
| 113 | N | 65.1 | Low | 58 | Low | 157 Ų | 157 | 39.6 Ų | 39.6 | 84% | 0.84 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.3 | -177.9 | -58 | -29.6 | 0 | 0 | 0 | 114.1 | L115 | N113-L115 VanDerWaalsContact C-N 3.32Š|
| 114 | G | 61.9 | Low | 59.3 | Low | 67 Ų | 67 | 40 Ų | 40 | 69% | 0.691 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 10.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | K112 | K112-G114 PolarHBondContact O-N 2.89Å; K112-G114 VanDerWaalsContact O-N 3.16Å |
| 115 | L | 60.2 | Low | 60.6 | Low | 107 Ų | 107 | 45.8 Ų | 45.8 | 56% | 0.56 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.6 | 174.7 | -68.6 | 167.8 | 0 | 0 | 0 | 110.6 | E111 K112 N113 V117 | E111-L115 CarbonylContact C-O 3.54Å; E111-L115 VanDerWaalsContact CA-O 3.28Å; E111-L115 WeakPolarHBondContact CA-O 2.93Å; K112-L115 PolarHBondContact N-O 2.95Å; K112-L115 PolarHBondContact O-N 3.36Å; N113-L115 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.85Å |
| 116 | T | 63.7 | Low | 61.7 | Low | 16 Ų | 16 | 46.1 Ų | 46.1 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 113.6 | 171.4 | -42.6 | 0 | 0 | 0 | 0 | 109.4 | C88 E89 C109 I110 A175 | C88-T116 HydrophobicContact CB-CG2 3.73Å; E89-T116 PolarHBondContact OE1-OG1 2.81Å; C109-T116 HydrophobicContact CB-CG2 3.63Å; I110-T116 CarbonylContact O-C 3.55Å; I110-T116 WeakPolarHBondContact O-CA 3.41Å; T116-A175 HydrophobicContact CG2-CB 3.67Å; T116-A175 WeakPolarHBondContact O-CB 3.17Å; T116-A175 PolarHBondContact O-N 3.24Å |
| 117 | V | 58.1 | Low | 62.4 | Low | 16 Ų | 16 | 46.7 Ų | 46.7 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -8.4 | -173.1 | -82.2 | 0 | 0 | 0 | 0 | 114.1 | I110 K112 L115 | I110-V117 HydrophobicContact CB-CG2 3.95Å; I110-V117 HydrophobicContact CG2-CG2 3.7Å; I110-V117 VanDerWaalsContact O-CG2 3.24Å; I110-V117 WeakPolarHBondContact O-CG2 3.26Å; I110-V117 PolarHBondContact O-N 3.44Å; K112-V117 HydrophobicContact CB-CG1 4.04Å; K112-V117 HydrophobicContact CB-CG2 3.7Å; L115-V117 PolarHBondContact O-N 2.85Å |
| 118 | G | 60 | Low | 63.1 | Low | 14 Ų | 14 | 50.9 Ų | 50.9 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -170.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C88 C109 I110 | C88-G118 PolarHBondContact SG-O 3.37Å; C109-G118 CarbonylContact C-O 3.39Å; C109-G118 VanDerWaalsContact CA-O 3.31Å; C109-G118 WeakPolarHBondContact CA-O 3.2Å; I110-G118 PolarHBondContact N-O 2.89Å |
| 119 | I | 63.7 | Low | 63.8 | Low | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124 | -174.2 | -53.5 | 149.9 | 0 | 0 | 0 | 109.4 | F82 C87 C88 I107 T168 | F82-I119 HydrophobicContact CB-CD1 3.63Å; F82-I119 HydrophobicContact CB-CG2 4.37Å; F82-I119 HydrophobicContact CD1-CD1 3.39Å; F82-I119 HydrophobicContact CD1-CG1 4.07Å; F82-I119 HydrophobicContact CD1-CG2 4.33Å; F82-I119 HydrophobicContact CD2-CG2 4.24Å; F82-I119 HydrophobicContact CE1-CD1 4.27Å; F82-I119 HydrophobicContact CG-CD1 3.74Å; F82-I119 HydrophobicContact CG-CG1 4.48Å; F82-I119 HydrophobicContact CG-CG2 4.08Å; F82-I119 WeakPolarHBondContact O-CD1 3.42Å; C87-I119 VanDerWaalsContact O-CD1 3.28Å; C87-I119 WeakPolarHBondContact O-CD1 3.48Å; C87-I119 WeakPolarHBondContact O-CG1 3.04Å; C88-I119 HydrophobicContact CB-CG1 4.32Å; C88-I119 WeakPolarHBondContact SG-CG1 3.18Å; I107-I119 HydrophobicContact CG2-CG2 3.2Å; I119-T168 PolarHBondContact O-OG1 2.8Å |
| 120 | M | 61.2 | Low | 64.1 | Low | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.9 | 173.4 | -150 | 177.1 | 81.1 | 0 | 0 | 111.5 | I107 A108 I110 M122 M156 F167 | I107-M120 VanDerWaalsContact CA-O 3.29Å; I107-M120 WeakPolarHBondContact CA-O 3.32Å; A108-M120 PolarHBondContact N-O 3.32Å; A108-M120 PolarHBondContact O-N 3.28Å; I110-M120 HydrophobicContact CD1-CB 3.64Å; I110-M120 HydrophobicContact CD1-CG 3.72Å; I110-M120 HydrophobicContact CD1-SD 3.83Å; I110-M120 HydrophobicContact CG1-CB 3.57Å; I110-M120 HydrophobicContact CG1-CG 4.17Å; I110-M120 HydrophobicContact CG1-SD 4.26Å; M120-M122 HydrophobicContact CE-CB 4.18Å; M120-M156 HydrophobicContact CE-CB 3.89Å; M120-M156 HydrophobicContact CE-CG 3.3Å; M120-M156 HydrophobicContact CE-SD 3.29Å; M120-M156 WeakPolarHBondContact CE-SD 3.37Å; M120-M156 HydrophobicContact SD-CB 3.95Å; M120-M156 HydrophobicContact SD-CG 3.52Å; M120-M156 VanDerWaalsContact SD-CG 3.52Å; M120-M156 HydrophobicContact SD-SD 4.32Å; M120-F167 HydrophobicContact CE-CD1 3.67Å; M120-F167 HydrophobicContact CE-CE1 3.4Å; M120-F167 VanDerWaalsContact CE-CE1 3.4Å; M120-F167 HydrophobicContact CE-CZ 4.23Å; M120-F167 HydrophobicContact CG-CB 3.84Å; M120-F167 HydrophobicContact CG-CD1 3.3Å; M120-F167 HydrophobicContact CG-CE1 4.06Å; M120-F167 HydrophobicContact CG-CG 3.84Å; M120-F167 HydrophobicContact SD-CB 4.18Å; M120-F167 HydrophobicContact SD-CD1 3.38Å; M120-F167 WeakPolarHBondContact SD-CD1 2.95Å; M120-F167 HydrophobicContact SD-CD2 4.48Å; M120-F167 HydrophobicContact SD-CE1 3.71Å; M120-F167 HydrophobicContact SD-CG 3.77Å; M120-F167 HydrophobicContact SD-CZ 4.47Å |
| 121 | K | 59.9 | Low | 64.5 | Low | 98 Ų | 98 | 61.8 Ų | 61.8 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.1 | 165.2 | -171.8 | 170.8 | -171.4 | 160.1 | 0 | 108.7 | D79 F167 | D79-K121 IonicContact OD1-NZ 3.28Å; D79-K121 PolarHBondContact OD1-NZ 3.41Å; K121-F167 WeakPolarHBondContact O-CD1 3.37Å |
| 122 | M | 61.9 | Low | 64.6 | Low | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 130.7 | -179.3 | 177.2 | 174.4 | 177.8 | 0 | 0 | 111.1 | M120 C126 Y127 P145 L148 I159 F167 | M120-M122 HydrophobicContact CE-CB 4.18Å; M122-C126 HydrophobicContact CE-CB 3.29Å; M122-C126 WeakPolarHBondContact CE-O 3.36Å; M122-C126 HydrophobicContact CG-CB 3.78Å; M122-C126 HydrophobicContact SD-CB 4.4Å; M122-Y127 HydrophobicContact CB-CE2 4.06Å; M122-Y127 WeakPolarHBondContact CB-OH 3.29Å; M122-Y127 HydrophobicContact CG-CE2 3.82Å; M122-Y127 WeakPolarHBondContact O-CE2 3.28Å; M122-Y127 HydrophobicContact SD-CE1 4.17Å; M122-Y127 HydrophobicContact SD-CE2 4.46Å; M122-P145 HydrophobicContact CE-CG 3.83Å; M122-L148 HydrophobicContact CE-CD1 3.68Å; M122-L148 HydrophobicContact SD-CD1 3.52Å; M122-L148 VanDerWaalsContact SD-CD1 3.52Å; M122-L148 HydrophobicContact SD-CD2 4.44Å; M122-I159 HydrophobicContact CE-CG2 3.61Å; M122-F167 HydrophobicContact CB-CE1 4.3Å; M122-F167 HydrophobicContact CG-CE1 4.47Å |
| 123 | P | 60.5 | Low | 64.4 | Low | 18 Ų | 18 | 61 Ų | 61 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 142.6 | 178.6 | -20 | 26.9 | 0 | 0 | 0 | 111.2 | I125 C126 Y127 Q163 W166 F167 | P123-I125 HydrophobicContact CB-CG2 3.61Å; P123-I125 PolarHBondContact O-N 3.19Å; P123-I125 VanDerWaalsContact O-N 3.11Å; P123-C126 WeakPolarHBondContact O-CB 3.2Å; P123-C126 PolarHBondContact O-N 3.39Å; P123-Y127 VanDerWaalsContact O-CD2 3.28Å; P123-Y127 WeakPolarHBondContact O-CD2 3.23Å; P123-Y127 WeakPolarHBondContact O-CE2 3.34Å; P123-Q163 HydrophobicContact CG-CB 3.86Å; P123-Q163 HydrophobicContact CG-CG 4.27Å; P123-W166 HydrophobicContact CG-CB 4.44Å; P123-F167 HydrophobicContact CG-CE1 4.21Å; P123-F167 HydrophobicContact CG-CZ 4.27Å |
| 124 | L | 66 | Low | 64.3 | Low | 96 Ų | 96 | 62.8 Ų | 62.8 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -54.5 | -34.1 | 179.4 | -72.7 | 170.9 | 0 | 0 | 0 | 112.9 | C126 Y127 L142 | L124-C126 PolarHBondContact O-N 2.88Å; L124-Y127 PolarHBondContact O-N 3.35Å; L124-Y127 VanDerWaalsContact O-N 3.16Å; L124-L142 HydrophobicContact CD2-CD2 3.56Å |
| 125 | I | 67.2 | Low | 64.6 | Low | 128 Ų | 128 | 62.9 Ų | 62.9 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.2 | 176.3 | 174.7 | 163.4 | 0 | 0 | 0 | 113.3 | P123 Y127 Q163 | P123-I125 HydrophobicContact CB-CG2 3.61Å; P123-I125 PolarHBondContact O-N 3.19Å; P123-I125 VanDerWaalsContact O-N 3.11Å; I125-Y127 VanDerWaalsContact C-N 3.3Å; I125-Q163 HydrophobicContact CG2-CG 4.22Å |
| 126 | C | 68.8 | Low | 65.4 | Low | 13 Ų | 13 | 64.9 Ų | 64.9 | 9% | 0.088 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -84.3 | -6.9 | -177.8 | -47.3 | 0 | 0 | 0 | 0 | 112.8 | M122 P123 L124 C160 | M122-C126 HydrophobicContact CE-CB 3.29Å; M122-C126 WeakPolarHBondContact CE-O 3.36Å; M122-C126 HydrophobicContact CG-CB 3.78Å; M122-C126 HydrophobicContact SD-CB 4.4Å; P123-C126 WeakPolarHBondContact O-CB 3.2Å; P123-C126 PolarHBondContact O-N 3.39Å; L124-C126 PolarHBondContact O-N 2.88Å; C126-C160 HydrophobicContact CB-CB 3.7Å; C126-C160 WeakPolarHBondContact CB-SG 3.2Å; C126-C160 WeakPolarHBondContact SG-CB 3.29Å; C126-C160 CovalentContact SG-SG 2.01Å; C126-C160 PolarHBondContact SG-SG 3.46Å |
| 127 | Y | 67.4 | Low | 65.3 | Low | 15 Ų | 15 | 73.2 Ų | 73.2 | 6% | 0.059 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -89.5 | 150.7 | 177 | -64.8 | -89.5 | 0 | 0 | 0 | 111.3 | P105 Y106 M122 P123 L124 I125 I129 L142 | P105-Y127 VanDerWaalsContact CA-CZ 3.46Å; P105-Y127 VanDerWaalsContact CA-OH 3.31Å; P105-Y127 WeakPolarHBondContact CA-OH 3.31Å; P105-Y127 HydrophobicContact CB-CE1 3.83Å; P105-Y127 HydrophobicContact CB-CE2 3.95Å; P105-Y127 VanDerWaalsContact CB-CZ 3.43Å; P105-Y127 VanDerWaalsContact CB-OH 3.28Å; P105-Y127 WeakPolarHBondContact CB-OH 3.37Å; Y106-Y127 WeakPolarHBondContact CA-OH 3.29Å; Y106-Y127 PolarHBondContact N-OH 3.14Å; Y106-Y127 PolarHBondContact O-OH 3.18Å; M122-Y127 HydrophobicContact CB-CE2 4.06Å; M122-Y127 WeakPolarHBondContact CB-OH 3.29Å; M122-Y127 HydrophobicContact CG-CE2 3.82Å; M122-Y127 WeakPolarHBondContact O-CE2 3.28Å; M122-Y127 HydrophobicContact SD-CE1 4.17Å; M122-Y127 HydrophobicContact SD-CE2 4.46Å; P123-Y127 VanDerWaalsContact O-CD2 3.28Å; P123-Y127 WeakPolarHBondContact O-CD2 3.23Å; P123-Y127 WeakPolarHBondContact O-CE2 3.34Å; L124-Y127 PolarHBondContact O-N 3.35Å; L124-Y127 VanDerWaalsContact O-N 3.16Å; I125-Y127 VanDerWaalsContact C-N 3.3Å; Y127-I129 PolarHBondContact O-N 3.34Å; Y127-I129 VanDerWaalsContact O-N 3.16Å; Y127-L142 HydrophobicContact CD1-CB 4.36Å; Y127-L142 HydrophobicContact CD2-CD2 4.22Å; Y127-L142 HydrophobicContact CG-CB 4.36Å; Y127-L142 HydrophobicContact CG-CD2 4.04Å |
| 128 | N | 68.1 | Low | 65.5 | Low | 106 Ų | 106 | 77.6 Ų | 77.6 | 57% | 0.567 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 96.5 | 165.1 | -162.1 | 1.4 | 0 | 0 | 0 | 108.5 | Q143 | N128-Q143 HydrophobicContact CB-CB 4.24Å; N128-Q143 PolarHBondContact N-O 3.48Å; N128-Q143 PolarHBondContact O-N 2.86Å |
| 129 | I | 70.8 | Confident | 65.4 | Low | 72 Ų | 72 | 79.8 Ų | 79.8 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.9 | -177.9 | -51.2 | -176.5 | 0 | 0 | 0 | 108.9 | Y127 M140 L142 | Y127-I129 PolarHBondContact O-N 3.34Å; Y127-I129 VanDerWaalsContact O-N 3.16Å; I129-M140 HydrophobicContact CG2-CE 3.72Å; I129-M140 HydrophobicContact CG2-CG 3.62Å; I129-M140 HydrophobicContact CG2-SD 3.84Å; I129-L142 HydrophobicContact CD1-CD2 3.97Å; I129-L142 HydrophobicContact CG1-CD2 3.74Å; I129-L142 HydrophobicContact CG1-CG 4.44Å |
| 130 | S | 71.4 | Confident | 65.2 | Low | 51 Ų | 51 | 83.5 Ų | 83.5 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.7 | 171.8 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | T141 | S130-T141 PolarHBondContact N-O 3.36Å; S130-T141 PolarHBondContact O-N 3.31Å; S130-T141 VanDerWaalsContact O-O 3.13Å; S130-T141 PolarHBondContact O-OG1 3.47Å; S130-T141 VanDerWaalsContact O-OG1 3.07Å; S130-T141 PolarHBondContact OG-OG1 2.76Å |
| 131 | I | 71.3 | Confident | 65.2 | Low | 133 Ų | 133 | 84.6 Ų | 84.6 | 68% | 0.682 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.5 | 172.3 | -59.5 | 174.4 | 0 | 0 | 0 | 106.6 | P138 V139 | I131-P138 HydrophobicContact CG2-CB 4.06Å; I131-V139 CarbonylContact C-O 3.51Å; I131-V139 WeakPolarHBondContact CA-O 3.4Å |
| 132 | G | 67.2 | Low | 65.2 | Low | 29 Ų | 29 | 80 Ų | 80 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | P138 V139 | G132-P138 WeakPolarHBondContact O-CA 3.32Å; G132-V139 PolarHBondContact N-O 2.79Å; G132-V139 PolarHBondContact O-N 3.15Å |
| 133 | N | 58.7 | Low | 65.2 | Low | 115 Ų | 115 | 82.8 Ų | 82.8 | 62% | 0.615 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 117.2 | 172.6 | -168.9 | 4.1 | 0 | 0 | 0 | 109 | N136 R137 | N133-N136 VanDerWaalsContact OD1-C 3.25Å; N133-N136 WeakPolarHBondContact OD1-CA 3.47Å; N133-N136 PolarHBondContact OD1-N 3.06Å; N133-R137 PolarHBondContact OD1-N 3.44Å; N133-R137 VanDerWaalsContact OD1-N 3.11Å; N133-R137 PolarHBondContact OD1-O 2.96Å; N133-R137 VanDerWaalsContact OD1-O 3.14Å |
| 134 | Y | 61.5 | Low | 65 | Low | 193 Ų | 193 | 83.2 Ų | 83.2 | 76% | 0.757 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115 | 176.7 | -164.7 | -93 | 0 | 0 | 0 | 109 | N136 R137 | Y134-N136 PolarHBondContact O-N 2.87Å; Y134-R137 PolarHBondContact N-O 3.27Å; Y134-R137 PolarHBondContact O-N 2.9Å |
| 135 | G | 69.6 | Low | 64.6 | Low | 70 Ų | 70 | 80.3 Ų | 80.3 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 43.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | R137 | G135-R137 PolarHBondContact O-N 3.43Š|
| 136 | N | 76.8 | Confident | 64.2 | Low | 149 Ų | 149 | 79.1 Ų | 79.1 | 80% | 0.797 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 18.7 | -176.9 | -73.6 | -9.7 | 0 | 0 | 0 | 115.6 | N133 Y134 | N133-N136 VanDerWaalsContact OD1-C 3.25Å; N133-N136 WeakPolarHBondContact OD1-CA 3.47Å; N133-N136 PolarHBondContact OD1-N 3.06Å; Y134-N136 PolarHBondContact O-N 2.87Å |
| 137 | R | 62.2 | Low | 63.3 | Low | 190 Ų | 190 | 83.1 Ų | 83.1 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.3 | 171.4 | -62.9 | -176.4 | -177.4 | -174.7 | 0.8 | 109.4 | N133 Y134 G135 V139 | N133-R137 PolarHBondContact OD1-N 3.44Å; N133-R137 VanDerWaalsContact OD1-N 3.11Å; N133-R137 PolarHBondContact OD1-O 2.96Å; N133-R137 VanDerWaalsContact OD1-O 3.14Å; Y134-R137 PolarHBondContact N-O 3.27Å; Y134-R137 PolarHBondContact O-N 2.9Å; G135-R137 PolarHBondContact O-N 3.43Å; R137-V139 WeakPolarHBondContact O-CG2 3.34Å; R137-V139 PolarHBondContact O-N 3.44Å |
| 138 | P | 61.7 | Low | 62.7 | Low | 108 Ų | 108 | 82.6 Ų | 82.6 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 125.8 | 169.7 | 27.5 | -31.7 | 0 | 0 | 0 | 108.2 | I131 G132 | I131-P138 HydrophobicContact CG2-CB 4.06Å; G132-P138 WeakPolarHBondContact O-CA 3.32Å |
| 139 | V | 57.6 | Low | 61.9 | Low | 60 Ų | 60 | 86.2 Ų | 86.2 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131 | 177.3 | -164.5 | 0 | 0 | 0 | 0 | 107.6 | I131 G132 R137 T141 | I131-V139 CarbonylContact C-O 3.51Å; I131-V139 WeakPolarHBondContact CA-O 3.4Å; G132-V139 PolarHBondContact N-O 2.79Å; G132-V139 PolarHBondContact O-N 3.15Å; R137-V139 WeakPolarHBondContact O-CG2 3.34Å; R137-V139 PolarHBondContact O-N 3.44Å; V139-T141 PolarHBondContact O-N 3.47Å |
| 140 | M | 59.8 | Low | 61.2 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 47% | 0.473 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.3 | 171.4 | -177.3 | 177.3 | -93.2 | 0 | 0 | 108.4 | I129 L142 | I129-M140 HydrophobicContact CG2-CE 3.72Å; I129-M140 HydrophobicContact CG2-CG 3.62Å; I129-M140 HydrophobicContact CG2-SD 3.84Å; M140-L142 HydrophobicContact CG-CD1 4.46Å |
| 141 | T | 61.2 | Low | 60.7 | Low | 29 Ų | 29 | 89.6 Ų | 89.6 | 18% | 0.178 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.6 | 175.6 | 34.4 | 0 | 0 | 0 | 0 | 109.3 | S130 V139 | S130-T141 PolarHBondContact N-O 3.36Å; S130-T141 PolarHBondContact O-N 3.31Å; S130-T141 VanDerWaalsContact O-O 3.13Å; S130-T141 PolarHBondContact O-OG1 3.47Å; S130-T141 VanDerWaalsContact O-OG1 3.07Å; S130-T141 PolarHBondContact OG-OG1 2.76Å; V139-T141 PolarHBondContact O-N 3.47Å |
| 142 | L | 60.5 | Low | 60.2 | Low | 2 Ų | 2 | 84.5 Ų | 84.5 | 1% | 0.01 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 107.7 | 179.7 | -70 | 122.6 | 0 | 0 | 0 | 108.8 | F67 P105 L124 Y127 I129 M140 | F67-L142 HydrophobicContact CE2-CD1 3.52Å; F67-L142 HydrophobicContact CZ-CD1 3.89Å; P105-L142 HydrophobicContact CG-CB 3.89Å; P105-L142 HydrophobicContact CG-CD1 3.73Å; P105-L142 HydrophobicContact CG-CD2 4.3Å; P105-L142 HydrophobicContact CG-CG 4.18Å; L124-L142 HydrophobicContact CD2-CD2 3.56Å; Y127-L142 HydrophobicContact CD1-CB 4.36Å; Y127-L142 HydrophobicContact CD2-CD2 4.22Å; Y127-L142 HydrophobicContact CG-CB 4.36Å; Y127-L142 HydrophobicContact CG-CD2 4.04Å; I129-L142 HydrophobicContact CD1-CD2 3.97Å; I129-L142 HydrophobicContact CG1-CD2 3.74Å; I129-L142 HydrophobicContact CG1-CG 4.44Å; M140-L142 HydrophobicContact CG-CD1 4.46Å |
| 143 | Q | 61.2 | Low | 60 | Low | 65 Ų | 65 | 84.3 Ų | 84.3 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.1 | 174.1 | -92.7 | -179.5 | -0 | 0 | 0 | 110.9 | Q102 N128 | Q102-Q143 HydrophobicContact CB-CG 3.95Å; Q102-Q143 HydrophobicContact CG-CG 4.06Å; Q102-Q143 VanDerWaalsContact CG-NE2 3.31Å; Q102-Q143 WeakPolarHBondContact O-CG 3.35Å; N128-Q143 HydrophobicContact CB-CB 4.24Å; N128-Q143 PolarHBondContact N-O 3.48Å; N128-Q143 PolarHBondContact O-N 2.86Å |
| 144 | S | 56.2 | Low | 60.3 | Low | 27 Ų | 27 | 84.4 Ų | 84.4 | 19% | 0.189 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 133.3 | 167.2 | 67.4 | 0 | 0 | 0 | 0 | 110 | ||
| 145 | P | 58.6 | Low | 60.4 | Low | 36 Ų | 36 | 76 Ų | 76 | 23% | 0.234 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 139.3 | 173.9 | 15 | -23 | 0 | 0 | 0 | 111.5 | M122 L147 L148 I159 | M122-P145 HydrophobicContact CE-CG 3.83Å; P145-L147 PolarHBondContact O-N 3.06Å; P145-L148 HydrophobicContact CG-CD1 3.99Å; P145-L148 WeakPolarHBondContact O-CB 3.37Å; P145-L148 PolarHBondContact O-N 3.2Å; P145-I159 HydrophobicContact CB-CG2 4.26Å; P145-I159 HydrophobicContact CG-CB 4.45Å; P145-I159 HydrophobicContact CG-CD1 4.15Å; P145-I159 HydrophobicContact CG-CG1 4.31Å; P145-I159 HydrophobicContact CG-CG2 3.32Å |
| 146 | S | 57 | Low | 60.1 | Low | 102 Ų | 102 | 73.1 Ų | 73.1 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -61.7 | -15.1 | -170.7 | 51.1 | 0 | 0 | 0 | 0 | 115.4 | L148 | S146-L148 PolarHBondContact O-N 3.26Š|
| 147 | L | 50.1 | Low | 59.6 | Low | 98 Ų | 98 | 69.8 Ų | 69.8 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -72.3 | -16.8 | 179.7 | -71.3 | 163.7 | 0 | 0 | 0 | 112.9 | P145 K149 I159 | P145-L147 PolarHBondContact O-N 3.06Å; L147-K149 PolarHBondContact O-N 2.94Å; L147-I159 HydrophobicContact CB-CD1 3.84Å; L147-I159 HydrophobicContact CB-CG1 3.98Å; L147-I159 HydrophobicContact CD1-CG1 4.45Å |
| 148 | L | 54.7 | Low | 59.9 | Low | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -65.8 | -2.7 | -180 | -103.4 | 131.8 | 0 | 0 | 0 | 115.5 | F98 Y106 M122 P145 S146 K150 M156 I159 | F98-L148 HydrophobicContact CZ-CB 4.27Å; F98-L148 WeakPolarHBondContact CZ-O 3.14Å; Y106-L148 HydrophobicContact CD1-CD2 4.2Å; Y106-L148 HydrophobicContact CD2-CD2 4.08Å; Y106-L148 HydrophobicContact CE2-CD2 4.48Å; Y106-L148 HydrophobicContact CG-CD2 3.94Å; M122-L148 HydrophobicContact CE-CD1 3.68Å; M122-L148 HydrophobicContact SD-CD1 3.52Å; M122-L148 VanDerWaalsContact SD-CD1 3.52Å; M122-L148 HydrophobicContact SD-CD2 4.44Å; P145-L148 HydrophobicContact CG-CD1 3.99Å; P145-L148 WeakPolarHBondContact O-CB 3.37Å; P145-L148 PolarHBondContact O-N 3.2Å; S146-L148 PolarHBondContact O-N 3.26Å; L148-K150 CarbonylContact O-C 3.59Å; L148-K150 PolarHBondContact O-N 2.79Å; L148-M156 HydrophobicContact CB-CE 4.16Å; L148-M156 HydrophobicContact CD1-CE 4.43Å; L148-M156 HydrophobicContact CD1-SD 4.32Å; L148-M156 HydrophobicContact CD2-CE 3.3Å; L148-M156 HydrophobicContact CD2-SD 3.32Å; L148-M156 WeakPolarHBondContact CD2-SD 3.38Å; L148-M156 HydrophobicContact CG-CE 3.31Å; L148-M156 HydrophobicContact CG-SD 3.68Å; L148-I159 HydrophobicContact CB-CD1 4.25Å; L148-I159 HydrophobicContact CD1-CD1 3.65Å; L148-I159 HydrophobicContact CG-CD1 3.64Å |
| 149 | K | 51.8 | Low | 60.2 | Low | 183 Ų | 183 | 63.7 Ų | 63.7 | 80% | 0.796 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -54.1 | -13 | -177.6 | -75.6 | -177.3 | 179.3 | -177.8 | 0 | 115 | L147 | L147-K149 PolarHBondContact O-N 2.94Š|
| 150 | K | 55.8 | Low | 60.7 | Low | 153 Ų | 153 | 61.5 Ų | 61.5 | 67% | 0.665 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -111.7 | 127.5 | 173.1 | -68 | -178.2 | 177.7 | -179.6 | 0 | 110.1 | L148 S152 | L148-K150 CarbonylContact O-C 3.59Å; L148-K150 PolarHBondContact O-N 2.79Å; K150-S152 PolarHBondContact O-N 3.24Å |
| 151 | N | 61.9 | Low | 61 | Low | 40 Ų | 40 | 61.1 Ų | 61.1 | 21% | 0.214 | 33% | 0.327 | C | S | . | . | trans | -71.9 | 54.1 | 172.5 | -81.2 | -10.6 | 0 | 0 | 0 | 111.4 | F98 C109 E111 | F98-N151 WeakPolarHBondContact CD2-OD1 3.3Å; F98-N151 WeakPolarHBondContact CE2-OD1 3.34Å; C109-N151 WeakPolarHBondContact O-CB 3.36Å; C109-N151 PolarHBondContact O-ND2 3.33Å; E111-N151 WeakPolarHBondContact CA-O 2.82Å; E111-N151 HydrophobicContact CB-CB 4.4Å; E111-N151 WeakPolarHBondContact CB-O 3.48Å; E111-N151 HydrophobicContact CG-CB 4.26Å; E111-N151 PolarHBondContact N-O 2.86Å; E111-N151 VanDerWaalsContact O-O 3.09Å | ||
| 152 | S | 61 | Low | 61 | Low | 27 Ų | 27 | 66.8 Ų | 66.8 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | trans | -122.9 | 139.7 | -178.2 | 144.4 | 0 | 0 | 0 | 0 | 110 | K150 D154 S155 M156 | K150-S152 PolarHBondContact O-N 3.24Å; S152-D154 PolarHBondContact O-N 2.9Å; S152-D154 WeakPolarHBondContact OG-CB 2.81Å; S152-D154 PolarHBondContact OG-N 2.55Å; S152-D154 VanDerWaalsContact OG-N 3.08Å; S152-D154 PolarHBondContact OG-OD2 2.92Å; S152-S155 PolarHBondContact O-N 3.22Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-M156 WeakPolarHBondContact O-CG 3.24Å; S152-M156 PolarHBondContact O-N 2.86Å | ||
| 153 | T | 61.9 | Low | 61 | Low | 25 Ų | 25 | 68.6 Ų | 68.6 | 15% | 0.153 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -49.7 | -40.1 | 170.8 | 38.2 | 0 | 0 | 0 | 0 | 112 | I110 S155 M156 D157 | I110-T153 HydrophobicContact CD1-CG2 4.25Å; I110-T153 HydrophobicContact CG2-CG2 3.53Å; T153-S155 VanDerWaalsContact C-N 3.29Å; T153-S155 PolarHBondContact O-N 3.49Å; T153-M156 WeakPolarHBondContact O-CA 3.19Å; T153-M156 WeakPolarHBondContact O-CB 3.45Å; T153-M156 PolarHBondContact O-N 3.31Å; T153-D157 PolarHBondContact O-N 2.78Å |
| 154 | D | 64.6 | Low | 60.5 | Low | 117 Ų | 117 | 66.8 Ų | 66.8 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.5 | -36.1 | -176.1 | -47.5 | -29.9 | 0 | 0 | 0 | 111.5 | S152 M156 E158 | S152-D154 PolarHBondContact O-N 2.9Å; S152-D154 WeakPolarHBondContact OG-CB 2.81Å; S152-D154 PolarHBondContact OG-N 2.55Å; S152-D154 VanDerWaalsContact OG-N 3.08Å; S152-D154 PolarHBondContact OG-OD2 2.92Å; D154-M156 PolarHBondContact O-N 3.07Å; D154-E158 PolarHBondContact O-N 3.17Å |
| 155 | S | 65.3 | Low | 60.2 | Low | 16 Ų | 16 | 70 Ų | 70 | 11% | 0.112 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.7 | -24.1 | 175.9 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | S152 T153 I159 | S152-S155 PolarHBondContact O-N 3.22Å; S152-S155 VanDerWaalsContact O-N 3.14Å; T153-S155 VanDerWaalsContact C-N 3.29Å; T153-S155 PolarHBondContact O-N 3.49Å; S155-I159 WeakPolarHBondContact O-CD1 3.46Å; S155-I159 VanDerWaalsContact O-CG1 3.22Å; S155-I159 WeakPolarHBondContact O-CG1 3.38Å |
| 156 | M | 62.4 | Low | 59.6 | Low | 9 Ų | 9 | 77 Ų | 77 | 4% | 0.044 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -84.9 | -39.9 | 179.1 | -58 | -59 | 110.3 | 0 | 0 | 112.1 | M120 L148 S152 T153 D154 E158 I159 C160 | M120-M156 HydrophobicContact CE-CB 3.89Å; M120-M156 HydrophobicContact CE-CG 3.3Å; M120-M156 HydrophobicContact CE-SD 3.29Å; M120-M156 WeakPolarHBondContact CE-SD 3.37Å; M120-M156 HydrophobicContact SD-CB 3.95Å; M120-M156 HydrophobicContact SD-CG 3.52Å; M120-M156 VanDerWaalsContact SD-CG 3.52Å; M120-M156 HydrophobicContact SD-SD 4.32Å; L148-M156 HydrophobicContact CB-CE 4.16Å; L148-M156 HydrophobicContact CD1-CE 4.43Å; L148-M156 HydrophobicContact CD1-SD 4.32Å; L148-M156 HydrophobicContact CD2-CE 3.3Å; L148-M156 HydrophobicContact CD2-SD 3.32Å; L148-M156 WeakPolarHBondContact CD2-SD 3.38Å; L148-M156 HydrophobicContact CG-CE 3.31Å; L148-M156 HydrophobicContact CG-SD 3.68Å; S152-M156 WeakPolarHBondContact O-CG 3.24Å; S152-M156 PolarHBondContact O-N 2.86Å; T153-M156 WeakPolarHBondContact O-CA 3.19Å; T153-M156 WeakPolarHBondContact O-CB 3.45Å; T153-M156 PolarHBondContact O-N 3.31Å; D154-M156 PolarHBondContact O-N 3.07Å; M156-E158 PolarHBondContact O-N 2.87Å; M156-I159 HydrophobicContact CE-CD1 4.05Å; M156-I159 PolarHBondContact O-N 3.42Å; M156-C160 PolarHBondContact O-N 3.37Å |
| 157 | D | 65.7 | Low | 59.2 | Low | 79 Ų | 79 | 72.8 Ų | 72.8 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -32.5 | 174.1 | -76.1 | -19.2 | 0 | 0 | 0 | 111 | T153 P161 | T153-D157 PolarHBondContact O-N 2.78Å; D157-P161 WeakPolarHBondContact O-CA 3.34Å; D157-P161 VanDerWaalsContact O-CB 3.29Å; D157-P161 WeakPolarHBondContact O-CB 3.28Å; D157-P161 VanDerWaalsContact O-CD 3.32Å; D157-P161 WeakPolarHBondContact O-CD 3.15Å; D157-P161 VanDerWaalsContact O-N 3.16Å |
| 158 | E | 68.4 | Low | 59.2 | Low | 139 Ų | 139 | 73 Ų | 73 | 65% | 0.65 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.3 | -35.4 | 173.1 | -167.9 | 174.8 | -171.3 | 0 | 0 | 112.7 | D154 M156 | D154-E158 PolarHBondContact O-N 3.17Å; M156-E158 PolarHBondContact O-N 2.87Å |
| 159 | I | 68.3 | Low | 58.7 | Low | 32 Ų | 32 | 81.4 Ų | 81.4 | 16% | 0.164 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -81.4 | -38.1 | -178.3 | -68.4 | 166.1 | 0 | 0 | 0 | 111.7 | M122 P145 L147 L148 S155 M156 | M122-I159 HydrophobicContact CE-CG2 3.61Å; P145-I159 HydrophobicContact CB-CG2 4.26Å; P145-I159 HydrophobicContact CG-CB 4.45Å; P145-I159 HydrophobicContact CG-CD1 4.15Å; P145-I159 HydrophobicContact CG-CG1 4.31Å; P145-I159 HydrophobicContact CG-CG2 3.32Å; L147-I159 HydrophobicContact CB-CD1 3.84Å; L147-I159 HydrophobicContact CB-CG1 3.98Å; L147-I159 HydrophobicContact CD1-CG1 4.45Å; L148-I159 HydrophobicContact CB-CD1 4.25Å; L148-I159 HydrophobicContact CD1-CD1 3.65Å; L148-I159 HydrophobicContact CG-CD1 3.64Å; S155-I159 WeakPolarHBondContact O-CD1 3.46Å; S155-I159 VanDerWaalsContact O-CG1 3.22Å; S155-I159 WeakPolarHBondContact O-CG1 3.38Å; M156-I159 HydrophobicContact CE-CD1 4.05Å; M156-I159 PolarHBondContact O-N 3.42Å |
| 160 | C | 68.9 | Low | 58.5 | Low | 13 Ų | 13 | 76.2 Ų | 76.2 | 9% | 0.088 | 40% | 0.397 | C | S | . | . | trans | -141.1 | 64.1 | -173.6 | -134.9 | 0 | 0 | 0 | 0 | 113 | C126 M156 N162 Q163 F167 | C126-C160 HydrophobicContact CB-CB 3.7Å; C126-C160 WeakPolarHBondContact CB-SG 3.2Å; C126-C160 WeakPolarHBondContact SG-CB 3.29Å; C126-C160 CovalentContact SG-SG 2.01Å; C126-C160 PolarHBondContact SG-SG 3.46Å; M156-C160 PolarHBondContact O-N 3.37Å; C160-N162 PolarHBondContact O-N 3.4Å; C160-Q163 PolarHBondContact O-N 2.83Å; C160-Q163 VanDerWaalsContact O-N 3.11Å; C160-F167 HydrophobicContact CB-CZ 4.32Å | ||
| 161 | P | 64.8 | Low | 58.2 | Low | 89 Ų | 89 | 71.8 Ų | 71.8 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.2 | -167.9 | 20 | -32.1 | 0 | 0 | 0 | 114.4 | D157 | D157-P161 WeakPolarHBondContact O-CA 3.34Å; D157-P161 VanDerWaalsContact O-CB 3.29Å; D157-P161 WeakPolarHBondContact O-CB 3.28Å; D157-P161 VanDerWaalsContact O-CD 3.32Å; D157-P161 WeakPolarHBondContact O-CD 3.15Å; D157-P161 VanDerWaalsContact O-N 3.16Å |
| 162 | N | 62.8 | Low | 57.7 | Low | 148 Ų | 148 | 77.2 Ų | 77.2 | 79% | 0.791 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.4 | -175.8 | -67.6 | -20.9 | 0 | 0 | 0 | 114.3 | C160 | C160-N162 PolarHBondContact O-N 3.4Š|
| 163 | Q | 58.9 | Low | 57.4 | Low | 39 Ų | 39 | 78.6 Ų | 78.6 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | trans | -118.9 | 10.6 | -177.8 | -63.4 | -73 | -45.2 | 0 | 0 | 112.6 | P123 I125 C160 S165 W166 F167 | P123-Q163 HydrophobicContact CG-CB 3.86Å; P123-Q163 HydrophobicContact CG-CG 4.27Å; I125-Q163 HydrophobicContact CG2-CG 4.22Å; C160-Q163 PolarHBondContact O-N 2.83Å; C160-Q163 VanDerWaalsContact O-N 3.11Å; Q163-S165 PolarHBondContact O-N 2.62Å; Q163-W166 WeakPolarHBondContact O-CB 3.39Å; Q163-W166 PolarHBondContact O-N 3.23Å; Q163-F167 HydrophobicContact CB-CE2 4.44Å; Q163-F167 VanDerWaalsContact O-CD2 3.32Å; Q163-F167 WeakPolarHBondContact O-CD2 3.31Å; Q163-F167 WeakPolarHBondContact O-CE2 2.89Å | ||
| 164 | G | 51 | Low | 57.3 | Low | 28 Ų | 28 | 81.6 Ų | 81.6 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | -31.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F167 | G164-F167 VanDerWaalsContact CA-CD2 3.5Š|
| 165 | S | 50.2 | Low | 57.1 | Low | 94 Ų | 94 | 76.6 Ų | 76.6 | 66% | 0.657 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13.3 | 179.8 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | Q163 | Q163-S165 PolarHBondContact O-N 2.62Š|
| 166 | W | 45.7 | Very low | 57.1 | Low | 183 Ų | 183 | 80 Ų | 80 | 69% | 0.693 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -17.5 | -179.4 | -72.8 | 47.9 | 0 | 0 | 0 | 112.4 | P123 Q163 | P123-W166 HydrophobicContact CG-CB 4.44Å; Q163-W166 WeakPolarHBondContact O-CB 3.39Å; Q163-W166 PolarHBondContact O-N 3.23Å |
| 167 | F | 48.9 | Very low | 57.4 | Low | 14 Ų | 14 | 80.6 Ų | 80.6 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -70.4 | 131 | 166.8 | -52.9 | -68 | 0 | 0 | 0 | 107.8 | M120 K121 M122 P123 C160 Q163 G164 K169 | M120-F167 HydrophobicContact CE-CD1 3.67Å; M120-F167 HydrophobicContact CE-CE1 3.4Å; M120-F167 VanDerWaalsContact CE-CE1 3.4Å; M120-F167 HydrophobicContact CE-CZ 4.23Å; M120-F167 HydrophobicContact CG-CB 3.84Å; M120-F167 HydrophobicContact CG-CD1 3.3Å; M120-F167 HydrophobicContact CG-CE1 4.06Å; M120-F167 HydrophobicContact CG-CG 3.84Å; M120-F167 HydrophobicContact SD-CB 4.18Å; M120-F167 HydrophobicContact SD-CD1 3.38Å; M120-F167 WeakPolarHBondContact SD-CD1 2.95Å; M120-F167 HydrophobicContact SD-CD2 4.48Å; M120-F167 HydrophobicContact SD-CE1 3.71Å; M120-F167 HydrophobicContact SD-CG 3.77Å; M120-F167 HydrophobicContact SD-CZ 4.47Å; K121-F167 WeakPolarHBondContact O-CD1 3.37Å; M122-F167 HydrophobicContact CB-CE1 4.3Å; M122-F167 HydrophobicContact CG-CE1 4.47Å; P123-F167 HydrophobicContact CG-CE1 4.21Å; P123-F167 HydrophobicContact CG-CZ 4.27Å; C160-F167 HydrophobicContact CB-CZ 4.32Å; Q163-F167 HydrophobicContact CB-CE2 4.44Å; Q163-F167 VanDerWaalsContact O-CD2 3.32Å; Q163-F167 WeakPolarHBondContact O-CD2 3.31Å; Q163-F167 WeakPolarHBondContact O-CE2 2.89Å; G164-F167 VanDerWaalsContact CA-CD2 3.5Å; F167-K169 VanDerWaalsContact C-N 3.35Å; F167-K169 PolarHBondContact O-N 3.28Å |
| 168 | T | 49.9 | Very low | 57.7 | Low | 101 Ų | 101 | 76.9 Ų | 76.9 | 62% | 0.62 | 42% | 0.422 | S | S | * | . | trans | -55.6 | 103.6 | 175.6 | -14 | 0 | 0 | 0 | 0 | 107.6 | I119 E170 | I119-T168 PolarHBondContact O-OG1 2.8Å; T168-E170 PolarHBondContact O-N 3.24Å | ||
| 169 | K | 44.7 | Very low | 57.7 | Low | 180 Ų | 180 | 72.5 Ų | 72.5 | 78% | 0.783 | 40% | 0.403 | S | S | * | . | trans | -59.6 | 133 | -170.3 | -129.6 | 178 | -178.6 | -176.6 | 0 | 109.1 | F167 S171 | F167-K169 VanDerWaalsContact C-N 3.35Å; F167-K169 PolarHBondContact O-N 3.28Å; K169-S171 PolarHBondContact O-N 2.77Å | ||
| 170 | E | 46.8 | Very low | 57.9 | Low | 75 Ų | 75 | 75.7 Ų | 75.7 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | trans | -8 | 112.9 | 166.2 | -69.5 | 175.3 | 152.6 | 0 | 0 | 114.2 | K112 T168 | K112-E170 WeakPolarHBondContact CD-OE1 3.29Å; K112-E170 WeakPolarHBondContact CE-OE1 3.31Å; K112-E170 IonicContact NZ-OE1 2.68Å; K112-E170 PolarHBondContact NZ-OE1 3.48Å; K112-E170 IonicContact NZ-OE2 2.96Å; K112-E170 PolarHBondContact NZ-OE2 3.35Å; T168-E170 PolarHBondContact O-N 3.24Å | ||
| 171 | S | 49.7 | Very low | 58.2 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 42% | 0.42 | 43% | 0.426 | S | S | . | . | trans | -79.4 | 122.4 | 152.3 | 161.7 | 0 | 0 | 0 | 0 | 106.6 | K169 A173 | K169-S171 PolarHBondContact O-N 2.77Å; S171-A173 PolarHBondContact O-N 2.67Å; S171-A173 VanDerWaalsContact O-N 3.17Å; S171-A173 WeakPolarHBondContact OG-CA 3.35Å; S171-A173 WeakPolarHBondContact OG-CB 3.38Å; S171-A173 PolarHBondContact OG-N 3.06Å; S171-A173 PolarHBondContact OG-O 2.88Å | ||
| 172 | D | 52.8 | Low | 58.4 | Low | 154 Ų | 154 | 73 Ų | 73 | 82% | 0.824 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -64.6 | -10.6 | 168.5 | -70.1 | -37.5 | 0 | 0 | 0 | 112 | ||
| 173 | A | 54.5 | Low | 58.9 | Low | 55 Ų | 55 | 68.2 Ų | 68.2 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -87.3 | 136 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S171 | S171-A173 PolarHBondContact O-N 2.67Å; S171-A173 VanDerWaalsContact O-N 3.17Å; S171-A173 WeakPolarHBondContact OG-CA 3.35Å; S171-A173 WeakPolarHBondContact OG-CB 3.38Å; S171-A173 PolarHBondContact OG-N 3.06Å; S171-A173 PolarHBondContact OG-O 2.88Å |
| 174 | P | 59.1 | Low | 59.7 | Low | 88 Ų | 88 | 75.3 Ų | 75.3 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 143.2 | 177.4 | 24.3 | -33.6 | 0 | 0 | 0 | 110.6 | L176 | P174-L176 PolarHBondContact O-N 3.17Š|
| 175 | A | 59.7 | Low | 60.8 | Low | 13 Ų | 13 | 77.5 Ų | 77.5 | 11% | 0.107 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 129.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | C88 T116 | C88-A175 HydrophobicContact CB-CB 3.74Å; T116-A175 HydrophobicContact CG2-CB 3.67Å; T116-A175 WeakPolarHBondContact O-CB 3.17Å; T116-A175 PolarHBondContact O-N 3.24Å |
| 176 | L | 65.6 | Low | 61.7 | Low | 88 Ų | 88 | 74.5 Ų | 74.5 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 144.3 | -177.8 | -67.3 | 155.8 | 0 | 0 | 0 | 109.5 | C87 P174 C178 Q181 | C87-L176 WeakPolarHBondContact CA-O 3.17Å; C87-L176 WeakPolarHBondContact CB-O 3.24Å; P174-L176 PolarHBondContact O-N 3.17Å; L176-C178 PolarHBondContact O-N 2.85Å; L176-Q181 HydrophobicContact CB-CG 3.96Å; L176-Q181 HydrophobicContact CD1-CG 4.5Å |
| 177 | N | 69.7 | Low | 63 | Low | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 118.6 | 169.2 | 176.6 | -30.3 | 0 | 0 | 0 | 109.2 | L90 D92 L179 N180 Q181 | L90-N177 PolarHBondContact O-OD1 3.28Å; D92-N177 PolarHBondContact N-ND2 2.03Å; D92-N177 PolarHBondContact OD1-ND2 3.33Å; N177-L179 PolarHBondContact O-N 3.45Å; N177-L179 WeakPolarHBondContact OD1-CA 3.47Å; N177-L179 WeakPolarHBondContact OD1-CB 3.18Å; N177-L179 PolarHBondContact OD1-N 2.77Å; N177-N180 HydrophobicContact CB-CB 4.49Å; N177-N180 PolarHBondContact O-N 3.32Å; N177-N180 PolarHBondContact OD1-N 3.14Å; N177-Q181 PolarHBondContact O-N 3.28Å |
| 178 | C | 70.8 | Confident | 64.1 | Low | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.3 | -38 | -178.6 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | L55 C87 E89 L176 Q181 L182 | L55-C178 HydrophobicContact CD2-CB 4.12Å; C87-C178 VanDerWaalsContact C-SG 3.6Å; C87-C178 HydrophobicContact CB-CB 3.78Å; C87-C178 WeakPolarHBondContact CB-SG 3.27Å; C87-C178 WeakPolarHBondContact SG-CA 3.34Å; C87-C178 WeakPolarHBondContact SG-CB 3.36Å; C87-C178 CovalentContact SG-SG 2.03Å; C87-C178 PolarHBondContact SG-SG 3.28Å; E89-C178 WeakPolarHBondContact O-CB 3.36Å; E89-C178 PolarHBondContact O-N 3.33Å; E89-C178 PolarHBondContact O-SG 2.81Å; E89-C178 VanDerWaalsContact O-SG 3.33Å; L176-C178 PolarHBondContact O-N 2.85Å; C178-Q181 PolarHBondContact O-N 2.74Å; C178-L182 HydrophobicContact CB-CD1 4.3Å; C178-L182 WeakPolarHBondContact O-CB 3.4Å; C178-L182 WeakPolarHBondContact O-CD1 3.45Å; C178-L182 VanDerWaalsContact O-CG 3.26Å; C178-L182 WeakPolarHBondContact O-CG 3.11Å; C178-L182 PolarHBondContact O-N 2.99Å |
| 179 | L | 69.5 | Low | 65 | Low | 48 Ų | 48 | 71.2 Ų | 71.2 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | -176.7 | -147.1 | 133.1 | 0 | 0 | 0 | 111.6 | D48 E52 L90 N177 Q181 L182 S183 | D48-L179 HydrophobicContact CB-CD2 4.45Å; E52-L179 HydrophobicContact CB-CD1 4.26Å; E52-L179 VanDerWaalsContact CD-CD1 3.46Å; E52-L179 HydrophobicContact CG-CD1 4.1Å; E52-L179 WeakPolarHBondContact OE2-CD1 3.41Å; L90-L179 WeakPolarHBondContact O-CB 3.42Å; N177-L179 PolarHBondContact O-N 3.45Å; N177-L179 WeakPolarHBondContact OD1-CA 3.47Å; N177-L179 WeakPolarHBondContact OD1-CB 3.18Å; N177-L179 PolarHBondContact OD1-N 2.77Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.34Å; L179-L182 PolarHBondContact O-N 2.91Å; L179-S183 VanDerWaalsContact O-CB 3.27Å; L179-S183 WeakPolarHBondContact O-CB 3.32Å; L179-S183 PolarHBondContact O-N 2.89Å |
| 180 | N | 71.2 | Confident | 65.9 | Low | 99 Ų | 99 | 67 Ų | 67 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.3 | -76.4 | -25 | 0 | 0 | 0 | 111.7 | N177 R184 | N177-N180 HydrophobicContact CB-CB 4.49Å; N177-N180 PolarHBondContact O-N 3.32Å; N177-N180 PolarHBondContact OD1-N 3.14Å; N180-R184 WeakPolarHBondContact O-CB 3.29Å; N180-R184 PolarHBondContact O-N 2.95Å; N180-R184 VanDerWaalsContact O-N 3.15Å |
| 181 | Q | 74.9 | Confident | 67 | Low | 43 Ų | 43 | 72.2 Ų | 72.2 | 20% | 0.201 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.5 | -40.6 | 178.1 | -64.5 | -61.4 | -16.8 | 0 | 0 | 112.8 | I85 L176 N177 C178 L179 S183 R184 E185 | I85-Q181 HydrophobicContact CG2-CB 3.29Å; I85-Q181 HydrophobicContact CG2-CG 3.72Å; L176-Q181 HydrophobicContact CB-CG 3.96Å; L176-Q181 HydrophobicContact CD1-CG 4.5Å; N177-Q181 PolarHBondContact O-N 3.28Å; C178-Q181 PolarHBondContact O-N 2.74Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.34Å; Q181-S183 VanDerWaalsContact C-N 3.31Å; Q181-S183 PolarHBondContact O-N 3.44Å; Q181-R184 WeakPolarHBondContact O-CB 3.28Å; Q181-R184 PolarHBondContact O-N 2.89Å; Q181-R184 VanDerWaalsContact O-N 3.14Å; Q181-E185 PolarHBondContact O-N 3.09Å |
| 182 | L | 71 | Confident | 67.9 | Low | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 172.7 | -81.9 | 160.7 | 0 | 0 | 0 | 110.4 | L55 I85 C178 L179 R184 E185 N186 | L55-L182 HydrophobicContact CD2-CD1 4.15Å; I85-L182 HydrophobicContact CD1-CD2 4.17Å; I85-L182 HydrophobicContact CD1-CG 4.22Å; C178-L182 HydrophobicContact CB-CD1 4.3Å; C178-L182 WeakPolarHBondContact O-CB 3.4Å; C178-L182 WeakPolarHBondContact O-CD1 3.45Å; C178-L182 VanDerWaalsContact O-CG 3.26Å; C178-L182 WeakPolarHBondContact O-CG 3.11Å; C178-L182 PolarHBondContact O-N 2.99Å; L179-L182 PolarHBondContact O-N 2.91Å; L182-R184 PolarHBondContact O-N 2.8Å; L182-E185 PolarHBondContact O-N 3.11Å; L182-N186 WeakPolarHBondContact O-CB 3.14Å; L182-N186 PolarHBondContact O-N 2.95Å; L182-N186 PolarHBondContact O-ND2 3.11Å |
| 183 | S | 71.5 | Confident | 68.6 | Low | 47 Ų | 47 | 68.8 Ų | 68.8 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 176 | -162.7 | 0 | 0 | 0 | 0 | 111.6 | D48 L179 Q181 N186 A187 | D48-S183 VanDerWaalsContact OD2-CB 3.32Å; D48-S183 WeakPolarHBondContact OD2-CB 3.17Å; D48-S183 PolarHBondContact OD2-OG 3.41Å; L179-S183 VanDerWaalsContact O-CB 3.27Å; L179-S183 WeakPolarHBondContact O-CB 3.32Å; L179-S183 PolarHBondContact O-N 2.89Å; Q181-S183 VanDerWaalsContact C-N 3.31Å; Q181-S183 PolarHBondContact O-N 3.44Å; S183-N186 PolarHBondContact O-N 3.3Å; S183-A187 PolarHBondContact O-N 3.32Å |
| 184 | R | 77.1 | Confident | 69.2 | Low | 188 Ų | 188 | 69.4 Ų | 69.4 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.9 | -42.1 | 177.5 | -152.1 | 176.1 | -168.9 | 179.4 | 3.3 | 112.6 | N180 Q181 L182 A187 | N180-R184 WeakPolarHBondContact O-CB 3.29Å; N180-R184 PolarHBondContact O-N 2.95Å; N180-R184 VanDerWaalsContact O-N 3.15Å; Q181-R184 WeakPolarHBondContact O-CB 3.28Å; Q181-R184 PolarHBondContact O-N 2.89Å; Q181-R184 VanDerWaalsContact O-N 3.14Å; L182-R184 PolarHBondContact O-N 2.8Å; R184-A187 VanDerWaalsContact O-CB 3.23Å; R184-A187 WeakPolarHBondContact O-CB 3.15Å; R184-A187 PolarHBondContact O-N 3.28Å |
| 185 | E | 72.9 | Confident | 69.7 | Low | 73 Ų | 73 | 67.6 Ų | 67.6 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 173.7 | -73.5 | -78.3 | 156.4 | 0 | 0 | 111.5 | K84 Q181 L182 A187 | K84-E185 VanDerWaalsContact NZ-CD 3.34Å; K84-E185 IonicContact NZ-OE1 2.69Å; K84-E185 PolarHBondContact NZ-OE1 3Å; K84-E185 IonicContact NZ-OE2 3.49Å; K84-E185 PolarHBondContact NZ-OE2 2.86Å; Q181-E185 PolarHBondContact O-N 3.09Å; L182-E185 PolarHBondContact O-N 3.11Å; E185-A187 PolarHBondContact O-N 3.04Å |
| 186 | N | 69.7 | Low | 70 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.4 | -17.1 | 175.6 | -72.7 | -21 | 0 | 0 | 0 | 112.6 | D48 S51 L182 S183 D188 V189 K190 | D48-N186 PolarHBondContact OD1-ND2 2.69Å; S51-N186 PolarHBondContact OG-ND2 3.44Å; L182-N186 WeakPolarHBondContact O-CB 3.14Å; L182-N186 PolarHBondContact O-N 2.95Å; L182-N186 PolarHBondContact O-ND2 3.11Å; S183-N186 PolarHBondContact O-N 3.3Å; N186-D188 VanDerWaalsContact C-N 3.3Å; N186-D188 PolarHBondContact O-N 3.17Å; N186-V189 WeakPolarHBondContact O-CB 2.97Å; N186-V189 PolarHBondContact O-N 2.67Å; N186-K190 WeakPolarHBondContact O-CB 3.46Å; N186-K190 PolarHBondContact O-N 2.97Å |
| 187 | A | 72.9 | Confident | 69.9 | Low | 47 Ų | 47 | 67.2 Ų | 67.2 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S183 R184 E185 K190 R191 | S183-A187 PolarHBondContact O-N 3.32Å; R184-A187 VanDerWaalsContact O-CB 3.23Å; R184-A187 WeakPolarHBondContact O-CB 3.15Å; R184-A187 PolarHBondContact O-N 3.28Å; E185-A187 PolarHBondContact O-N 3.04Å; A187-K190 WeakPolarHBondContact O-CB 3.31Å; A187-K190 PolarHBondContact O-N 3.39Å; A187-R191 WeakPolarHBondContact O-CB 3.49Å; A187-R191 PolarHBondContact O-N 2.75Å |
| 188 | D | 72.1 | Confident | 69.9 | Low | 107 Ų | 107 | 71.9 Ų | 71.9 | 57% | 0.572 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.6 | -39.3 | 176.6 | -82 | -18.7 | 0 | 0 | 0 | 111.7 | N186 K190 R191 H192 | N186-D188 VanDerWaalsContact C-N 3.3Å; N186-D188 PolarHBondContact O-N 3.17Å; D188-K190 VanDerWaalsContact C-N 3.3Å; D188-K190 PolarHBondContact O-N 3.35Å; D188-R191 WeakPolarHBondContact O-CB 3.03Å; D188-R191 PolarHBondContact O-N 3.26Å; D188-H192 PolarHBondContact O-N 3.48Å |
| 189 | V | 68.3 | Low | 69.7 | Low | 74 Ų | 74 | 77.8 Ų | 77.8 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 173 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | L40 N186 R191 H192 A193 | L40-V189 HydrophobicContact CD2-CG1 4.35Å; N186-V189 WeakPolarHBondContact O-CB 2.97Å; N186-V189 PolarHBondContact O-N 2.67Å; V189-R191 VanDerWaalsContact C-N 3.33Å; V189-R191 PolarHBondContact O-N 2.74Å; V189-H192 PolarHBondContact O-N 2.8Å; V189-A193 WeakPolarHBondContact O-CB 3.33Å; V189-A193 PolarHBondContact O-N 3.25Å |
| 190 | K | 65 | Low | 69.4 | Low | 92 Ų | 92 | 76.9 Ų | 76.9 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.6 | -170.3 | 172.4 | 176.7 | 165.6 | 0 | 111.5 | T44 N186 A187 D188 A193 N194 | T44-K190 VanDerWaalsContact CB-NZ 3.34Å; T44-K190 HydrophobicContact CG2-CD 3.87Å; T44-K190 HydrophobicContact CG2-CG 4.34Å; T44-K190 VanDerWaalsContact CG2-NZ 3.33Å; T44-K190 PolarHBondContact OG1-NZ 3.24Å; N186-K190 WeakPolarHBondContact O-CB 3.46Å; N186-K190 PolarHBondContact O-N 2.97Å; A187-K190 WeakPolarHBondContact O-CB 3.31Å; A187-K190 PolarHBondContact O-N 3.39Å; D188-K190 VanDerWaalsContact C-N 3.3Å; D188-K190 PolarHBondContact O-N 3.35Å; K190-A193 PolarHBondContact O-N 2.84Å; K190-N194 WeakPolarHBondContact O-CB 3.11Å; K190-N194 PolarHBondContact O-N 3.36Å |
| 191 | R | 69.5 | Low | 69.1 | Low | 184 Ų | 184 | 78 Ų | 78 | 69% | 0.694 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 175 | -168.5 | 178.3 | -176.4 | 176.3 | 1.6 | 111.7 | A187 D188 V189 N194 A195 | A187-R191 WeakPolarHBondContact O-CB 3.49Å; A187-R191 PolarHBondContact O-N 2.75Å; D188-R191 WeakPolarHBondContact O-CB 3.03Å; D188-R191 PolarHBondContact O-N 3.26Å; V189-R191 VanDerWaalsContact C-N 3.33Å; V189-R191 PolarHBondContact O-N 2.74Å; R191-N194 PolarHBondContact O-N 2.82Å; R191-A195 WeakPolarHBondContact O-CB 3.38Å; R191-A195 PolarHBondContact O-N 2.83Å |
| 192 | H | 69.3 | Low | 68.8 | Low | 133 Ų | 133 | 79.2 Ų | 79.2 | 62% | 0.616 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 175.7 | -78.5 | -25.2 | 0 | 0 | 0 | 112.9 | D188 V189 A195 T196 | D188-H192 PolarHBondContact O-N 3.48Å; V189-H192 PolarHBondContact O-N 2.8Å; H192-A195 PolarHBondContact O-N 3.44Å; H192-T196 WeakPolarHBondContact O-CB 3.48Å; H192-T196 PolarHBondContact O-N 2.02Å; H192-T196 PolarHBondContact O-OG1 2.88Å |
| 193 | A | 66.3 | Low | 68.5 | Low | 10 Ų | 10 | 84.2 Ų | 84.2 | 8% | 0.083 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L41 V189 K190 A195 T196 I197 | L41-A193 HydrophobicContact CD1-CB 4.37Å; V189-A193 WeakPolarHBondContact O-CB 3.33Å; V189-A193 PolarHBondContact O-N 3.25Å; K190-A193 PolarHBondContact O-N 2.84Å; A193-A195 PolarHBondContact O-N 3.33Å; A193-T196 PolarHBondContact O-N 3.16Å; A193-T196 VanDerWaalsContact O-N 3.17Å; A193-I197 WeakPolarHBondContact O-CG1 3.29Å; A193-I197 PolarHBondContact O-N 2.96Å |
| 194 | N | 66.5 | Low | 68.2 | Low | 67 Ų | 67 | 88 Ų | 88 | 36% | 0.358 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 174.6 | -95.9 | -25.2 | 0 | 0 | 0 | 113.1 | L41 K190 R191 T196 I197 L198 | L41-N194 HydrophobicContact CD1-CB 4.47Å; L41-N194 WeakPolarHBondContact CD1-OD1 3.26Å; L41-N194 WeakPolarHBondContact CD2-OD1 2.94Å; K190-N194 WeakPolarHBondContact O-CB 3.11Å; K190-N194 PolarHBondContact O-N 3.36Å; R191-N194 PolarHBondContact O-N 2.82Å; N194-T196 VanDerWaalsContact C-N 3.28Å; N194-T196 PolarHBondContact O-N 2.74Å; N194-I197 PolarHBondContact O-N 2.68Å; N194-L198 PolarHBondContact O-N 2.77Å |
| 195 | A | 69.7 | Low | 67.5 | Low | 50 Ų | 50 | 83.6 Ų | 83.6 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R191 H192 A193 L198 M199 | R191-A195 WeakPolarHBondContact O-CB 3.38Å; R191-A195 PolarHBondContact O-N 2.83Å; H192-A195 PolarHBondContact O-N 3.44Å; A193-A195 PolarHBondContact O-N 3.33Å; A195-L198 PolarHBondContact O-N 3.25Å; A195-M199 WeakPolarHBondContact O-CB 3.32Å; A195-M199 PolarHBondContact O-N 3.26Å |
| 196 | T | 67.1 | Low | 67.2 | Low | 61 Ų | 61 | 85.5 Ų | 85.5 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 178.8 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | H192 A193 N194 M199 T200 | H192-T196 WeakPolarHBondContact O-CB 3.48Å; H192-T196 PolarHBondContact O-N 2.02Å; H192-T196 PolarHBondContact O-OG1 2.88Å; A193-T196 PolarHBondContact O-N 3.16Å; A193-T196 VanDerWaalsContact O-N 3.17Å; N194-T196 VanDerWaalsContact C-N 3.28Å; N194-T196 PolarHBondContact O-N 2.74Å; T196-M199 PolarHBondContact O-N 2.79Å; T196-T200 WeakPolarHBondContact O-CB 3.5Å; T196-T200 WeakPolarHBondContact O-CG2 3.26Å; T196-T200 PolarHBondContact O-N 3.47Å; T196-T200 PolarHBondContact O-OG1 2.89Å |
| 197 | I | 64 | Low | 66.7 | Low | 33 Ų | 33 | 86.3 Ų | 86.3 | 17% | 0.169 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 174.4 | -65.4 | 174.5 | 0 | 0 | 0 | 110.8 | L41 A193 N194 M199 T200 F201 | L41-I197 HydrophobicContact CD1-CD1 3.66Å; A193-I197 WeakPolarHBondContact O-CG1 3.29Å; A193-I197 PolarHBondContact O-N 2.96Å; N194-I197 PolarHBondContact O-N 2.68Å; I197-M199 PolarHBondContact O-N 3.35Å; I197-T200 WeakPolarHBondContact CA-OG1 3.36Å; I197-T200 PolarHBondContact O-N 3.34Å; I197-T200 PolarHBondContact O-OG1 3.16Å; I197-F201 VanDerWaalsContact O-CB 3.3Å; I197-F201 WeakPolarHBondContact O-CB 3.37Å; I197-F201 PolarHBondContact O-N 3.22Å |
| 198 | L | 68.5 | Low | 66.1 | Low | 117 Ų | 117 | 86.6 Ų | 86.6 | 61% | 0.613 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59 | -48.9 | 178.3 | -92.6 | 160.3 | 0 | 0 | 0 | 111.7 | N194 A195 T200 F201 S202 | N194-L198 PolarHBondContact O-N 2.77Å; A195-L198 PolarHBondContact O-N 3.25Å; L198-T200 PolarHBondContact O-N 2.78Å; L198-F201 PolarHBondContact O-N 2.76Å; L198-S202 WeakPolarHBondContact O-CB 3.28Å; L198-S202 PolarHBondContact O-N 2.85Å; L198-S202 PolarHBondContact O-OG 3.1Å |
| 199 | M | 67.7 | Low | 65.8 | Low | 125 Ų | 125 | 87.6 Ų | 87.6 | 62% | 0.616 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 177.8 | -89.1 | -85.7 | -76.3 | 0 | 0 | 112.5 | A195 T196 I197 S202 L203 | A195-M199 WeakPolarHBondContact O-CB 3.32Å; A195-M199 PolarHBondContact O-N 3.26Å; T196-M199 PolarHBondContact O-N 2.79Å; I197-M199 PolarHBondContact O-N 3.35Å; M199-S202 PolarHBondContact O-N 2.79Å; M199-L203 WeakPolarHBondContact O-CB 3.43Å; M199-L203 WeakPolarHBondContact O-CG 3.46Å; M199-L203 PolarHBondContact O-N 2.01Å |
| 200 | T | 62.6 | Low | 65.5 | Low | 30 Ų | 30 | 87.4 Ų | 87.4 | 18% | 0.184 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 179.6 | 43.1 | 0 | 0 | 0 | 0 | 112.1 | L34 T196 I197 L198 L203 F204 | L34-T200 VanDerWaalsContact CD2-OG1 3.26Å; L34-T200 WeakPolarHBondContact CD2-OG1 3.39Å; L34-T200 HydrophobicContact CG-CG2 4.39Å; T196-T200 WeakPolarHBondContact O-CB 3.5Å; T196-T200 WeakPolarHBondContact O-CG2 3.26Å; T196-T200 PolarHBondContact O-N 3.47Å; T196-T200 PolarHBondContact O-OG1 2.89Å; I197-T200 WeakPolarHBondContact CA-OG1 3.36Å; I197-T200 PolarHBondContact O-N 3.34Å; I197-T200 PolarHBondContact O-OG1 3.16Å; L198-T200 PolarHBondContact O-N 2.78Å; T200-L203 PolarHBondContact O-N 2.83Å; T200-F204 WeakPolarHBondContact O-CB 3.42Å; T200-F204 PolarHBondContact O-N 3.16Å |
| 201 | F | 64.9 | Low | 65.3 | Low | 122 Ų | 122 | 88.8 Ų | 88.8 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.1 | -173.7 | -96.9 | 0 | 0 | 0 | 111.7 | I197 L198 L203 F204 M205 | I197-F201 VanDerWaalsContact O-CB 3.3Å; I197-F201 WeakPolarHBondContact O-CB 3.37Å; I197-F201 PolarHBondContact O-N 3.22Å; L198-F201 PolarHBondContact O-N 2.76Å; F201-L203 PolarHBondContact O-N 2.72Å; F201-F204 PolarHBondContact O-N 3.23Å; F201-M205 HydrophobicContact CD1-CG 4.01Å; F201-M205 HydrophobicContact CE1-CG 3.62Å; F201-M205 HydrophobicContact CE1-SD 4.36Å; F201-M205 HydrophobicContact CE2-CG 4.35Å; F201-M205 HydrophobicContact CE2-SD 4.45Å; F201-M205 HydrophobicContact CZ-CG 3.81Å; F201-M205 HydrophobicContact CZ-SD 3.98Å; F201-M205 VanDerWaalsContact O-CG 3.32Å; F201-M205 WeakPolarHBondContact O-CG 3.43Å; F201-M205 PolarHBondContact O-N 3.39Å |
| 202 | S | 67.7 | Low | 65 | Low | 68 Ų | 68 | 84.2 Ų | 84.2 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | L198 M199 F204 M205 L206 | L198-S202 WeakPolarHBondContact O-CB 3.28Å; L198-S202 PolarHBondContact O-N 2.85Å; L198-S202 PolarHBondContact O-OG 3.1Å; M199-S202 PolarHBondContact O-N 2.79Å; S202-F204 PolarHBondContact O-N 3.35Å; S202-M205 PolarHBondContact O-N 2.97Å; S202-L206 WeakPolarHBondContact O-CB 3.18Å; S202-L206 PolarHBondContact O-N 3.41Å |
| 203 | L | 66 | Low | 64.5 | Low | 108 Ų | 108 | 81.3 Ų | 81.3 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.7 | -40.1 | 177.1 | -75.3 | 169.8 | 0 | 0 | 0 | 112.4 | M199 T200 F201 L206 A207 | M199-L203 WeakPolarHBondContact O-CB 3.43Å; M199-L203 WeakPolarHBondContact O-CG 3.46Å; M199-L203 PolarHBondContact O-N 2.01Å; T200-L203 PolarHBondContact O-N 2.83Å; F201-L203 PolarHBondContact O-N 2.72Å; L203-L206 PolarHBondContact O-N 3.37Å; L203-A207 WeakPolarHBondContact O-CB 3.5Å; L203-A207 PolarHBondContact O-N 3.24Å |
| 204 | F | 65.4 | Low | 63.8 | Low | 126 Ų | 126 | 82.6 Ų | 82.6 | 55% | 0.553 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.8 | -48 | 175.6 | 178.2 | -98.1 | 0 | 0 | 0 | 111.5 | T200 F201 S202 L206 A207 V208 | T200-F204 WeakPolarHBondContact O-CB 3.42Å; T200-F204 PolarHBondContact O-N 3.16Å; F201-F204 PolarHBondContact O-N 3.23Å; S202-F204 PolarHBondContact O-N 3.35Å; F204-L206 VanDerWaalsContact C-N 3.29Å; F204-L206 PolarHBondContact O-N 3Å; F204-A207 PolarHBondContact O-N 3.35Å; F204-V208 HydrophobicContact CD1-CG2 4.26Å; F204-V208 HydrophobicContact CE1-CG2 3.83Å; F204-V208 HydrophobicContact CE2-CG2 4.29Å; F204-V208 HydrophobicContact CZ-CG2 3.85Å; F204-V208 WeakPolarHBondContact O-CG2 3.37Å; F204-V208 PolarHBondContact O-N 2.94Å |
| 205 | M | 60.7 | Low | 62.9 | Low | 97 Ų | 97 | 88.2 Ų | 88.2 | 48% | 0.478 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.6 | -68.9 | -60.1 | -76.7 | 0 | 0 | 111.7 | F201 S202 V208 F209 | F201-M205 HydrophobicContact CD1-CG 4.01Å; F201-M205 HydrophobicContact CE1-CG 3.62Å; F201-M205 HydrophobicContact CE1-SD 4.36Å; F201-M205 HydrophobicContact CE2-CG 4.35Å; F201-M205 HydrophobicContact CE2-SD 4.45Å; F201-M205 HydrophobicContact CZ-CG 3.81Å; F201-M205 HydrophobicContact CZ-SD 3.98Å; F201-M205 VanDerWaalsContact O-CG 3.32Å; F201-M205 WeakPolarHBondContact O-CG 3.43Å; F201-M205 PolarHBondContact O-N 3.39Å; S202-M205 PolarHBondContact O-N 2.97Å; M205-V208 PolarHBondContact O-N 2.76Å; M205-F209 WeakPolarHBondContact O-CB 3.22Å; M205-F209 PolarHBondContact O-N 3.37Å |
| 206 | L | 66.6 | Low | 62.1 | Low | 112 Ų | 112 | 91.1 Ų | 91.1 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -40.8 | 176.7 | -152.5 | 127.5 | 0 | 0 | 0 | 111.4 | S202 L203 F204 F209 C210 | S202-L206 WeakPolarHBondContact O-CB 3.18Å; S202-L206 PolarHBondContact O-N 3.41Å; L203-L206 PolarHBondContact O-N 3.37Å; F204-L206 VanDerWaalsContact C-N 3.29Å; F204-L206 PolarHBondContact O-N 3Å; L206-F209 PolarHBondContact O-N 3Å; L206-C210 WeakPolarHBondContact O-CB 3.5Å; L206-C210 PolarHBondContact O-N 3.08Å; L206-C210 PolarHBondContact O-SG 2.99Å |
| 207 | A | 60.6 | Low | 61.3 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L203 F204 C210 L211 | L203-A207 WeakPolarHBondContact O-CB 3.5Å; L203-A207 PolarHBondContact O-N 3.24Å; F204-A207 PolarHBondContact O-N 3.35Å; A207-C210 PolarHBondContact O-N 3.14Å; A207-L211 WeakPolarHBondContact O-CG 3.12Å; A207-L211 PolarHBondContact O-N 2.69Å |
| 208 | V | 59.6 | Low | 60.4 | Low | 52 Ų | 52 | 95.9 Ų | 95.9 | 32% | 0.315 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F204 M205 C210 L211 I212 | F204-V208 HydrophobicContact CD1-CG2 4.26Å; F204-V208 HydrophobicContact CE1-CG2 3.83Å; F204-V208 HydrophobicContact CE2-CG2 4.29Å; F204-V208 HydrophobicContact CZ-CG2 3.85Å; F204-V208 WeakPolarHBondContact O-CG2 3.37Å; F204-V208 PolarHBondContact O-N 2.94Å; M205-V208 PolarHBondContact O-N 2.76Å; V208-C210 PolarHBondContact O-N 3.04Å; V208-L211 PolarHBondContact O-N 2.98Å; V208-I212 HydrophobicContact CG1-CD1 3.83Å; V208-I212 HydrophobicContact CG1-CG1 4.44Å; V208-I212 WeakPolarHBondContact O-CG1 3.44Å; V208-I212 PolarHBondContact O-N 3Å |
| 209 | F | 64.7 | Low | 59.1 | Low | 128 Ų | 128 | 95.3 Ų | 95.3 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 177 | -170.7 | -103.3 | 0 | 0 | 0 | 112 | M205 L206 L211 I212 L213 | M205-F209 WeakPolarHBondContact O-CB 3.22Å; M205-F209 PolarHBondContact O-N 3.37Å; L206-F209 PolarHBondContact O-N 3Å; F209-L211 VanDerWaalsContact C-N 3.33Å; F209-L211 PolarHBondContact O-N 3.16Å; F209-I212 PolarHBondContact O-N 3.48Å; F209-L213 HydrophobicContact CD1-CD1 3.63Å; F209-L213 HydrophobicContact CD1-CG 4.28Å; F209-L213 HydrophobicContact CE1-CD1 3.28Å; F209-L213 HydrophobicContact CE1-CG 4Å; F209-L213 HydrophobicContact CZ-CD1 3.99Å; F209-L213 HydrophobicContact CZ-CG 4.29Å; F209-L213 WeakPolarHBondContact O-CB 3.01Å; F209-L213 PolarHBondContact O-N 3.32Å |
| 210 | C | 63.9 | Low | 58.1 | Low | 70 Ų | 70 | 93.6 Ų | 93.6 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 173.5 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | L206 A207 V208 A214 | L206-C210 WeakPolarHBondContact O-CB 3.5Å; L206-C210 PolarHBondContact O-N 3.08Å; L206-C210 PolarHBondContact O-SG 2.99Å; A207-C210 PolarHBondContact O-N 3.14Å; V208-C210 PolarHBondContact O-N 3.04Å; C210-A214 WeakPolarHBondContact O-CB 3.39Å; C210-A214 PolarHBondContact O-N 2.85Å |
| 211 | L | 60.2 | Low | 57.1 | Low | 121 Ų | 121 | 98.8 Ų | 98.8 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 175.7 | -75.5 | 170.1 | 0 | 0 | 0 | 112.5 | A207 V208 F209 A214 R215 | A207-L211 WeakPolarHBondContact O-CG 3.12Å; A207-L211 PolarHBondContact O-N 2.69Å; V208-L211 PolarHBondContact O-N 2.98Å; F209-L211 VanDerWaalsContact C-N 3.33Å; F209-L211 PolarHBondContact O-N 3.16Å; L211-A214 PolarHBondContact O-N 3.29Å; L211-R215 PolarHBondContact O-N 3.18Å |
| 212 | I | 62.3 | Low | 56.1 | Low | 88 Ų | 88 | 97.7 Ų | 97.7 | 45% | 0.451 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 175.4 | -67.6 | 167.1 | 0 | 0 | 0 | 110.2 | V208 F209 R215 N216 | V208-I212 HydrophobicContact CG1-CD1 3.83Å; V208-I212 HydrophobicContact CG1-CG1 4.44Å; V208-I212 WeakPolarHBondContact O-CG1 3.44Å; V208-I212 PolarHBondContact O-N 3Å; F209-I212 PolarHBondContact O-N 3.48Å; I212-R215 PolarHBondContact O-N 3.27Å; I212-N216 WeakPolarHBondContact O-CB 3Å; I212-N216 PolarHBondContact O-N 3.31Å; I212-N216 PolarHBondContact O-ND2 2.89Å |
| 213 | L | 58.9 | Low | 54.8 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 38% | 0.377 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.4 | -79 | 174.4 | 0 | 0 | 0 | 111.8 | F209 R215 N216 I217 | F209-L213 HydrophobicContact CD1-CD1 3.63Å; F209-L213 HydrophobicContact CD1-CG 4.28Å; F209-L213 HydrophobicContact CE1-CD1 3.28Å; F209-L213 HydrophobicContact CE1-CG 4Å; F209-L213 HydrophobicContact CZ-CD1 3.99Å; F209-L213 HydrophobicContact CZ-CG 4.29Å; F209-L213 WeakPolarHBondContact O-CB 3.01Å; F209-L213 PolarHBondContact O-N 3.32Å; L213-R215 VanDerWaalsContact C-N 3.34Å; L213-R215 PolarHBondContact O-N 3.36Å; L213-N216 PolarHBondContact O-N 3.14Å; L213-I217 HydrophobicContact CB-CD1 4.42Å; L213-I217 WeakPolarHBondContact O-CB 2.93Å; L213-I217 WeakPolarHBondContact O-CD1 3.14Å; L213-I217 WeakPolarHBondContact O-CG1 3.05Å; L213-I217 PolarHBondContact O-N 3.07Å |
| 214 | A | 52.9 | Low | 53.9 | Low | 37 Ų | 37 | 97.7 Ų | 97.7 | 31% | 0.306 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C210 L211 I217 I218 | C210-A214 WeakPolarHBondContact O-CB 3.39Å; C210-A214 PolarHBondContact O-N 2.85Å; L211-A214 PolarHBondContact O-N 3.29Å; A214-I217 PolarHBondContact O-N 3.11Å; A214-I218 HydrophobicContact CB-CD1 4.13Å; A214-I218 WeakPolarHBondContact O-CB 2.74Å; A214-I218 WeakPolarHBondContact O-CD1 3.07Å; A214-I218 WeakPolarHBondContact O-CG1 2.92Å; A214-I218 PolarHBondContact O-N 2.82Å |
| 215 | R | 47.4 | Very low | 53 | Low | 185 Ų | 185 | 94.8 Ų | 94.8 | 70% | 0.698 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -46.1 | 172.4 | -98.4 | -170.7 | 167.2 | 158.1 | -1.7 | 112.4 | L211 I212 L213 I217 I218 D219 | L211-R215 PolarHBondContact O-N 3.18Å; I212-R215 PolarHBondContact O-N 3.27Å; L213-R215 VanDerWaalsContact C-N 3.34Å; L213-R215 PolarHBondContact O-N 3.36Å; R215-I217 VanDerWaalsContact C-N 3.3Å; R215-I217 PolarHBondContact O-N 3.4Å; R215-I218 PolarHBondContact O-N 2.83Å; R215-D219 VanDerWaalsContact O-CB 3.24Å; R215-D219 WeakPolarHBondContact O-CB 3.18Å; R215-D219 PolarHBondContact O-N 3.45Å |
| 216 | N | 51.2 | Low | 52.3 | Low | 111 Ų | 111 | 96.3 Ų | 96.3 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.8 | -25.2 | -178.7 | -75 | -23.2 | 0 | 0 | 0 | 114 | I212 L213 | I212-N216 WeakPolarHBondContact O-CB 3Å; I212-N216 PolarHBondContact O-N 3.31Å; I212-N216 PolarHBondContact O-ND2 2.89Å; L213-N216 PolarHBondContact O-N 3.14Å |
| 217 | I | 50.7 | Low | 51.5 | Low | 110 Ų | 110 | 96.4 Ų | 96.4 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -92.3 | -33.4 | 177.9 | -63.6 | 165.5 | 0 | 0 | 0 | 111.3 | L213 A214 R215 S220 | L213-I217 HydrophobicContact CB-CD1 4.42Å; L213-I217 WeakPolarHBondContact O-CB 2.93Å; L213-I217 WeakPolarHBondContact O-CD1 3.14Å; L213-I217 WeakPolarHBondContact O-CG1 3.05Å; L213-I217 PolarHBondContact O-N 3.07Å; A214-I217 PolarHBondContact O-N 3.11Å; R215-I217 VanDerWaalsContact C-N 3.3Å; R215-I217 PolarHBondContact O-N 3.4Å; I217-S220 PolarHBondContact O-OG 3.07Å; I217-S220 VanDerWaalsContact O-OG 3.12Å |
| 218 | I | 46.2 | Very low | 50.8 | Low | 85 Ų | 85 | 101.7 Ų | 101.7 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -83.7 | -35.3 | -178 | -64 | 169.8 | 0 | 0 | 0 | 110.9 | A214 R215 S220 D221 M222 | A214-I218 HydrophobicContact CB-CD1 4.13Å; A214-I218 WeakPolarHBondContact O-CB 2.74Å; A214-I218 WeakPolarHBondContact O-CD1 3.07Å; A214-I218 WeakPolarHBondContact O-CG1 2.92Å; A214-I218 PolarHBondContact O-N 2.82Å; R215-I218 PolarHBondContact O-N 2.83Å; I218-S220 PolarHBondContact O-N 3.16Å; I218-D221 PolarHBondContact O-N 2.88Å; I218-M222 HydrophobicContact CG2-CB 3.7Å; I218-M222 HydrophobicContact CG2-CG 3.85Å; I218-M222 VanDerWaalsContact O-CB 3.31Å; I218-M222 WeakPolarHBondContact O-CB 2.68Å; I218-M222 PolarHBondContact O-N 2.86Å |
| 219 | D | 41.5 | Very low | 50.1 | Low | 105 Ų | 105 | 104 Ų | 104 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.2 | -18.7 | 176.3 | -75.6 | -34.2 | 0 | 0 | 0 | 112.8 | R215 | R215-D219 VanDerWaalsContact O-CB 3.24Å; R215-D219 WeakPolarHBondContact O-CB 3.18Å; R215-D219 PolarHBondContact O-N 3.45Å |
| 220 | S | 45.3 | Very low | 49.1 | Very low | 88 Ų | 88 | 101 Ų | 101 | 62% | 0.615 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -81.3 | -20.8 | 172.5 | 63.1 | 0 | 0 | 0 | 0 | 114.3 | I217 I218 | I217-S220 PolarHBondContact O-OG 3.07Å; I217-S220 VanDerWaalsContact O-OG 3.12Å; I218-S220 PolarHBondContact O-N 3.16Å |
| 221 | D | 43.2 | Very low | 48.3 | Very low | 139 Ų | 139 | 106 Ų | 106 | 74% | 0.743 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -128.4 | -7.6 | -172.3 | -101.8 | -21.7 | 0 | 0 | 0 | 116.1 | I218 | I218-D221 PolarHBondContact O-N 2.88Å |
| 222 | M | 42.4 | Very low | 47.7 | Very low | 99 Ų | 99 | 108.7 Ų | 108.7 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | trans | -115.7 | 14 | -171.4 | -71.4 | -119.9 | 177.8 | 0 | 0 | 117.3 | I218 G224 P225 | I218-M222 HydrophobicContact CG2-CB 3.7Å; I218-M222 HydrophobicContact CG2-CG 3.85Å; I218-M222 VanDerWaalsContact O-CB 3.31Å; I218-M222 WeakPolarHBondContact O-CB 2.68Å; I218-M222 PolarHBondContact O-N 2.86Å; M222-G224 PolarHBondContact O-N 2.94Å; M222-P225 VanDerWaalsContact O-CD 3.26Å; M222-P225 WeakPolarHBondContact O-CD 2.79Å; M222-P225 HydrophobicContact SD-CG 4.32Å | ||
| 223 | L | 41.3 | Very low | 46.9 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 71% | 0.712 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.3 | -14.2 | 164.1 | -86.6 | 145.5 | 0 | 0 | 0 | 112.9 | ||
| 224 | G | 46.4 | Very low | 46.3 | Very low | 41 Ų | 41 | 115.7 Ų | 115.7 | 42% | 0.423 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -78.5 | -41.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | M222 K228 | M222-G224 PolarHBondContact O-N 2.94Å; G224-K228 WeakPolarHBondContact O-CG 3.42Å |
| 225 | P | 46.2 | Very low | 46 | Very low | 64 Ų | 64 | 123.1 Ų | 123.1 | 42% | 0.416 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -89.6 | -32.3 | -171.3 | -12.7 | 30.1 | 0 | 0 | 0 | 115 | M222 K228 C229 | M222-P225 VanDerWaalsContact O-CD 3.26Å; M222-P225 WeakPolarHBondContact O-CD 2.79Å; M222-P225 HydrophobicContact SD-CG 4.32Å; P225-K228 PolarHBondContact O-N 2.89Å; P225-C229 PolarHBondContact O-N 2.73Å |
| 226 | I | 47.1 | Very low | 45.7 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.6 | -37 | -176.6 | -61.6 | 176.1 | 0 | 0 | 0 | 110.8 | K228 C229 A230 | I226-K228 VanDerWaalsContact C-N 3.32Å; I226-K228 PolarHBondContact O-N 3.15Å; I226-C229 PolarHBondContact O-N 3.06Å; I226-A230 PolarHBondContact O-N 2.99Å |
| 227 | E | 48.3 | Very low | 45.4 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 53% | 0.533 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.6 | -32 | 171.3 | -111.3 | -156.7 | 118.4 | 0 | 0 | 112.9 | R231 | E227-R231 PolarHBondContact O-N 3.18Å; E227-R231 IonicContact OE1-CZ 3.92Å; E227-R231 IonicContact OE1-NH2 2.99Å; E227-R231 PolarHBondContact OE1-NH2 3.45Å |
| 228 | K | 47.6 | Very low | 44.9 | Very low | 160 Ų | 160 | 124 Ų | 124 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75 | -30.5 | 177.2 | -76.7 | 178.8 | -178.8 | 173.7 | 0 | 112.8 | G224 P225 I226 | G224-K228 WeakPolarHBondContact O-CG 3.42Å; P225-K228 PolarHBondContact O-N 2.89Å; I226-K228 VanDerWaalsContact C-N 3.32Å; I226-K228 PolarHBondContact O-N 3.15Å |
| 229 | C | 43.2 | Very low | 44.7 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 68% | 0.676 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.5 | -39.1 | 174.7 | -106.1 | 0 | 0 | 0 | 0 | 112.4 | P225 I226 R231 K232 T233 | P225-C229 PolarHBondContact O-N 2.73Å; I226-C229 PolarHBondContact O-N 3.06Å; C229-R231 VanDerWaalsContact C-N 3.33Å; C229-R231 PolarHBondContact O-N 3.27Å; C229-K232 PolarHBondContact O-N 2.81Å; C229-T233 PolarHBondContact O-OG1 3.41Å |
| 230 | A | 45.5 | Very low | 44.7 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 54% | 0.537 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -70.1 | -24.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I226 | I226-A230 PolarHBondContact O-N 2.99Å |
| 231 | R | 47.1 | Very low | 44.4 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -79.8 | -23 | 176.6 | -75.6 | -174.6 | -163.8 | -175.7 | 9.6 | 114.4 | E227 C229 | E227-R231 PolarHBondContact O-N 3.18Å; E227-R231 IonicContact OE1-CZ 3.92Å; E227-R231 IonicContact OE1-NH2 2.99Å; E227-R231 PolarHBondContact OE1-NH2 3.45Å; C229-R231 VanDerWaalsContact C-N 3.33Å; C229-R231 PolarHBondContact O-N 3.27Å |
| 232 | K | 47.2 | Very low | 44.3 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -78.7 | -27.3 | -179.2 | -81.4 | -173.3 | 176.4 | -178.7 | 0 | 113.7 | C229 K234 K235 | C229-K232 PolarHBondContact O-N 2.81Å; K232-K234 VanDerWaalsContact C-N 3.28Å; K232-K234 PolarHBondContact O-N 2.93Å; K232-K235 PolarHBondContact O-N 3.23Å |
| 233 | T | 45.9 | Very low | 44.3 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -9.8 | -179.9 | 19 | 0 | 0 | 0 | 0 | 114.6 | C229 | C229-T233 PolarHBondContact O-OG1 3.41Š|
| 234 | K | 45.8 | Very low | 44 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -1.1 | 175.3 | -79.3 | -172.9 | 177 | -179.8 | 0 | 115.2 | K232 | K232-K234 VanDerWaalsContact C-N 3.28Å; K232-K234 PolarHBondContact O-N 2.93Å |
| 235 | K | 46.1 | Very low | 43.6 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -117 | 2.9 | -175.4 | -83.3 | -169 | 177.5 | -176.5 | 0 | 117.2 | K232 | K232-K235 PolarHBondContact O-N 3.23Š|
| 236 | S | 42.1 | Very low | 43.3 | Very low | 100 Ų | 100 | 155.9 Ų | 155.9 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -101.9 | 74.7 | 173.4 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 237 | K | 43.6 | Very low | 42.9 | Very low | 202 Ų | 202 | 157.6 Ų | 157.6 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | -75.9 | 128.9 | 152.7 | -101.1 | -177.3 | 177.7 | 178.7 | 0 | 107.2 | R239 | K237-R239 PolarHBondContact O-N 3.19Š| ||
| 238 | P | 41.9 | Very low | 42.5 | Very low | 123 Ų | 123 | 165.9 Ų | 165.9 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -69.1 | 128.9 | -178.9 | 27.2 | -31.2 | 0 | 0 | 0 | 110.1 | S240 | P238-S240 PolarHBondContact O-N 3.49Å; P238-S240 VanDerWaalsContact O-N 3.07Å | ||
| 239 | R | 40.1 | Very low | 42.3 | Very low | 246 Ų | 246 | 166.2 Ų | 166.2 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -62.2 | 106.3 | 163.9 | -111.7 | 178.9 | 174.3 | 175.8 | -2.8 | 107.3 | K237 N241 | K237-R239 PolarHBondContact O-N 3.19Å; R239-N241 PolarHBondContact O-N 2.86Å | ||
| 240 | S | 43.4 | Very low | 42.2 | Very low | 106 Ų | 106 | 169.6 Ų | 169.6 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | -62.5 | 115.4 | 168.9 | 157.6 | 0 | 0 | 0 | 0 | 109.7 | P238 K242 | P238-S240 PolarHBondContact O-N 3.49Å; P238-S240 VanDerWaalsContact O-N 3.07Å; S240-K242 PolarHBondContact O-N 3Å | ||
| 241 | N | 37 | Very low | 42 | Very low | 161 Ų | 161 | 175.4 Ų | 175.4 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | -68.2 | 107.5 | 166.4 | -96.1 | -15.4 | 0 | 0 | 0 | 110.9 | R239 | R239-N241 PolarHBondContact O-N 2.86Š| ||
| 242 | K | 42.5 | Very low | 41.7 | Very low | 200 Ų | 200 | 175.4 Ų | 175.4 | 87% | 0.87 | 85% | 0.849 | S | S | * | * | trans | -157.5 | 120.1 | 151.8 | -81.5 | -174.7 | -179.6 | 176.5 | 0 | 103.6 | S240 | S240-K242 PolarHBondContact O-N 3Š| ||
| 243 | S | 41 | Very low | 41.4 | Very low | 120 Ų | 120 | 175.3 Ų | 175.3 | 84% | 0.839 | 85% | 0.854 | S | S | * | * | cis | -161.6 | 142.9 | 48.2 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 244 | Q | 36.5 | Very low | 41.1 | Very low | 183 Ų | 183 | 179.5 Ų | 179.5 | 86% | 0.855 | 87% | 0.865 | S | S | * | * | trans | -53.7 | 140.7 | 165 | -70.2 | 159.8 | -43.3 | 0 | 0 | 111.4 | ||||
| 245 | R | 36.8 | Very low | 40.8 | Very low | 251 Ų | 251 | 178.4 Ų | 178.4 | 95% | 0.947 | 87% | 0.866 | S | S | * | * | trans | -155.9 | 99.9 | 136.3 | -129.3 | 177.4 | -176.2 | 178.6 | 0.1 | 108.4 | ||||
| 246 | L | 40.9 | Very low | 40.3 | Very low | 158 Ų | 158 | 177.2 Ų | 177.2 | 83% | 0.827 | 87% | 0.868 | S | S | * | * | trans | -87.3 | 120.3 | 158.8 | -94.8 | 145.4 | 0 | 0 | 0 | 106.6 | ||||
| 247 | E | 38.7 | Very low | 40.2 | Very low | 166 Ų | 166 | 183.7 Ų | 183.7 | 78% | 0.776 | 88% | 0.882 | S | S | * | * | trans | 24.4 | 124.7 | 147.2 | -62.4 | 176.3 | 169.1 | 0 | 0 | 120 | ||||
| 248 | F | 39.9 | Very low | 39.9 | Very low | 288 Ų | 288 | 182 Ų | 182 | 100% | 1.263 | 88% | 0.882 | S | S | * | * | -122.5 | 0 | 118.1 | -84.7 | -81.1 | 0 | 0 | 0 | 108 |
Retrieved 248 of 248 residues in 123.6 ms
(Link to these results)