| 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 | 39.6 | Very low | 58.6 | Low | 238 Ų | 238 | 102.9 Ų | 102.9 | 100% | 1.172 | 58% | 0.576 | S | S | * | * | 0 | 73.7 | 0 | -71.8 | 170.2 | 148.9 | 0 | 0 | 109.4 | |||||
| 2 | T | 51.2 | Low | 59.8 | Low | 105 Ų | 105 | 102.2 Ų | 102.2 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | trans | -126.1 | -6.7 | 178.7 | 42.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | S | 53.5 | Low | 60.8 | Low | 77 Ų | 77 | 98 Ų | 98 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.4 | -29 | -170.8 | -171.2 | 0 | 0 | 0 | 0 | 114.1 | Q7 | S3-Q7 WeakPolarHBondContact O-CB 3.42Å; S3-Q7 WeakPolarHBondContact O-CG 3.48Å; S3-Q7 PolarHBondContact O-N 2.88Å; S3-Q7 VanDerWaalsContact O-N 3.13Å; S3-Q7 PolarHBondContact O-OE1 3.45Å |
| 4 | C | 53 | Low | 61.9 | Low | 101 Ų | 101 | 97.1 Ų | 97.1 | 68% | 0.682 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -75 | -38.6 | -172.7 | -152.8 | 0 | 0 | 0 | 0 | 112.4 | S8 | C4-S8 PolarHBondContact O-N 3.11Å |
| 5 | G | 54.6 | Low | 62.8 | Low | 9 Ų | 9 | 96.9 Ų | 96.9 | 9% | 0.093 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -75.7 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S8 L9 | G5-S8 PolarHBondContact O-OG 3.01Å; G5-L9 WeakPolarHBondContact O-CG 3.39Å; G5-L9 PolarHBondContact O-N 3.36Å |
| 6 | Q | 57.4 | Low | 63.3 | Low | 125 Ų | 125 | 97.8 Ų | 97.8 | 58% | 0.584 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -39.9 | 173.8 | -160.3 | 96 | 9 | 0 | 0 | 111.1 | N10 | Q6-N10 WeakPolarHBondContact O-CB 3.38Å; Q6-N10 PolarHBondContact O-N 3.09Å; Q6-N10 PolarHBondContact O-ND2 3.17Å |
| 7 | Q | 61.6 | Low | 63.7 | Low | 119 Ų | 119 | 96.2 Ų | 96.2 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 176.3 | -88.2 | 176.7 | -41 | 0 | 0 | 112.3 | S3 L9 N10 V11 | S3-Q7 WeakPolarHBondContact O-CB 3.42Å; S3-Q7 WeakPolarHBondContact O-CG 3.48Å; S3-Q7 PolarHBondContact O-N 2.88Å; S3-Q7 VanDerWaalsContact O-N 3.13Å; S3-Q7 PolarHBondContact O-OE1 3.45Å; Q7-L9 PolarHBondContact O-N 3.1Å; Q7-N10 PolarHBondContact O-N 3.19Å; Q7-V11 WeakPolarHBondContact O-CB 3.01Å; Q7-V11 VanDerWaalsContact O-CG2 3.24Å; Q7-V11 WeakPolarHBondContact O-CG2 3.47Å; Q7-V11 PolarHBondContact O-N 2.99Å |
| 8 | S | 64.4 | Low | 63.8 | Low | 63 Ų | 63 | 97 Ų | 97 | 44% | 0.441 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 178.9 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | C4 G5 V11 L12 | C4-S8 PolarHBondContact O-N 3.11Å; G5-S8 PolarHBondContact O-OG 3.01Å; S8-V11 PolarHBondContact O-N 3.41Å; S8-L12 WeakPolarHBondContact O-CB 3.41Å; S8-L12 PolarHBondContact O-N 3.19Å |
| 9 | L | 67.4 | Low | 63.8 | Low | 114 Ų | 114 | 97.3 Ų | 97.3 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 175.1 | -73.1 | 172.1 | 0 | 0 | 0 | 112.5 | G5 Q7 L12 A13 | G5-L9 WeakPolarHBondContact O-CG 3.39Å; G5-L9 PolarHBondContact O-N 3.36Å; Q7-L9 PolarHBondContact O-N 3.1Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-A13 WeakPolarHBondContact O-CB 3.14Å; L9-A13 PolarHBondContact O-N 3.38Å |
| 10 | N | 68.3 | Low | 63.6 | Low | 92 Ų | 92 | 97.7 Ų | 97.7 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 175.9 | -74.4 | -22.9 | 0 | 0 | 0 | 111.8 | Q6 Q7 L12 A13 V14 | Q6-N10 WeakPolarHBondContact O-CB 3.38Å; Q6-N10 PolarHBondContact O-N 3.09Å; Q6-N10 PolarHBondContact O-ND2 3.17Å; Q7-N10 PolarHBondContact O-N 3.19Å; N10-L12 VanDerWaalsContact C-N 3.35Å; N10-A13 PolarHBondContact O-N 3.14Å; N10-V14 WeakPolarHBondContact O-CB 3.37Å; N10-V14 VanDerWaalsContact O-CG2 3.23Å; N10-V14 WeakPolarHBondContact O-CG2 3.21Å; N10-V14 PolarHBondContact O-N 3.42Å |
| 11 | V | 73.3 | Confident | 63.1 | Low | 89 Ų | 89 | 96.6 Ų | 96.6 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | Q7 S8 V14 L15 | Q7-V11 WeakPolarHBondContact O-CB 3.01Å; Q7-V11 VanDerWaalsContact O-CG2 3.24Å; Q7-V11 WeakPolarHBondContact O-CG2 3.47Å; Q7-V11 PolarHBondContact O-N 2.99Å; S8-V11 PolarHBondContact O-N 3.41Å; V11-V14 PolarHBondContact O-N 2.9Å; V11-L15 HydrophobicContact CG1-CD1 4.03Å; V11-L15 WeakPolarHBondContact O-CB 3.37Å; V11-L15 PolarHBondContact O-N 3.48Å |
| 12 | L | 73.4 | Confident | 63.8 | Low | 94 Ų | 94 | 88.1 Ų | 88.1 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 176.3 | -157.6 | 86.4 | 0 | 0 | 0 | 111.2 | S8 L9 N10 V14 L15 F16 | S8-L12 WeakPolarHBondContact O-CB 3.41Å; S8-L12 PolarHBondContact O-N 3.19Å; L9-L12 PolarHBondContact O-N 3.43Å; N10-L12 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 3.41Å; L12-F16 HydrophobicContact CD1-CE2 4.34Å; L12-F16 HydrophobicContact CD2-CD2 4.26Å; L12-F16 HydrophobicContact CD2-CE2 3.68Å; L12-F16 HydrophobicContact CG-CD2 3.93Å; L12-F16 HydrophobicContact CG-CE2 3.6Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å; L12-F16 PolarHBondContact O-N 3.37Å |
| 13 | A | 73.3 | Confident | 64 | Low | 48 Ų | 48 | 88.4 Ų | 88.4 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L9 N10 F16 S17 | L9-A13 WeakPolarHBondContact O-CB 3.14Å; L9-A13 PolarHBondContact O-N 3.38Å; N10-A13 PolarHBondContact O-N 3.14Å; A13-F16 PolarHBondContact O-N 3.3Å; A13-S17 PolarHBondContact O-N 3.35Å; A13-S17 PolarHBondContact O-OG 3.04Å; A13-S17 VanDerWaalsContact O-OG 3.07Å |
| 14 | V | 75 | Confident | 63.9 | Low | 85 Ų | 85 | 89.9 Ų | 89.9 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | N10 V11 L12 F16 S17 L18 | N10-V14 WeakPolarHBondContact O-CB 3.37Å; N10-V14 VanDerWaalsContact O-CG2 3.23Å; N10-V14 WeakPolarHBondContact O-CG2 3.21Å; N10-V14 PolarHBondContact O-N 3.42Å; V11-V14 PolarHBondContact O-N 2.9Å; L12-V14 PolarHBondContact O-N 3.48Å; V14-F16 PolarHBondContact O-N 3.23Å; V14-S17 PolarHBondContact O-N 2.99Å; V14-L18 HydrophobicContact CG1-CD1 3.91Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.38Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.5Å; V14-L18 PolarHBondContact O-N 2.84Å |
| 15 | L | 76.4 | Confident | 63.8 | Low | 94 Ų | 94 | 88.4 Ų | 88.4 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.2 | -91.6 | 157.4 | 0 | 0 | 0 | 111.8 | V11 L12 L18 L19 | V11-L15 HydrophobicContact CG1-CD1 4.03Å; V11-L15 WeakPolarHBondContact O-CB 3.37Å; V11-L15 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 3.41Å; L15-L18 PolarHBondContact O-N 2.72Å; L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.26Å |
| 16 | F | 70.1 | Confident | 63.7 | Low | 111 Ų | 111 | 90.7 Ų | 90.7 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 175.5 | -80.4 | -62.8 | 0 | 0 | 0 | 111.4 | L12 A13 V14 L18 L19 F20 | L12-F16 HydrophobicContact CD1-CE2 4.34Å; L12-F16 HydrophobicContact CD2-CD2 4.26Å; L12-F16 HydrophobicContact CD2-CE2 3.68Å; L12-F16 HydrophobicContact CG-CD2 3.93Å; L12-F16 HydrophobicContact CG-CE2 3.6Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å; L12-F16 PolarHBondContact O-N 3.37Å; A13-F16 PolarHBondContact O-N 3.3Å; V14-F16 PolarHBondContact O-N 3.23Å; F16-L18 VanDerWaalsContact C-N 3.31Å; F16-L18 PolarHBondContact O-N 3.24Å; F16-L19 PolarHBondContact O-N 2.83Å; F16-F20 WeakPolarHBondContact O-CD2 3.32Å; F16-F20 PolarHBondContact O-N 2.81Å |
| 17 | S | 69.8 | Low | 63.6 | Low | 72 Ų | 72 | 87.1 Ų | 87.1 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.4 | -40 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | A13 V14 S21 | A13-S17 PolarHBondContact O-N 3.35Å; A13-S17 PolarHBondContact O-OG 3.04Å; A13-S17 VanDerWaalsContact O-OG 3.07Å; V14-S17 PolarHBondContact O-N 2.99Å; S17-S21 WeakPolarHBondContact O-CB 3.44Å; S17-S21 PolarHBondContact O-N 3.37Å; S17-S21 VanDerWaalsContact O-N 3.08Å; S17-S21 PolarHBondContact O-OG 2.98Å |
| 18 | L | 66.6 | Low | 63.5 | Low | 110 Ų | 110 | 86 Ų | 86 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -42 | 176.2 | -71.1 | 170.9 | 0 | 0 | 0 | 111.9 | V14 L15 F16 S21 A22 | V14-L18 HydrophobicContact CG1-CD1 3.91Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.38Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.5Å; V14-L18 PolarHBondContact O-N 2.84Å; L15-L18 PolarHBondContact O-N 2.72Å; F16-L18 VanDerWaalsContact C-N 3.31Å; F16-L18 PolarHBondContact O-N 3.24Å; L18-S21 PolarHBondContact O-N 3.42Å; L18-A22 PolarHBondContact O-N 3.13Å |
| 19 | L | 63.4 | Low | 63.5 | Low | 103 Ų | 103 | 89.3 Ų | 89.3 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 177.6 | -72.1 | 168.4 | 0 | 0 | 0 | 111.9 | L15 F16 S21 A22 V23 | L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.26Å; F16-L19 PolarHBondContact O-N 2.83Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.2Å; L19-A22 PolarHBondContact O-N 2.97Å; L19-V23 WeakPolarHBondContact O-CG2 3.41Å; L19-V23 PolarHBondContact O-N 2.93Å; L19-V23 VanDerWaalsContact O-N 3.09Å |
| 20 | F | 58.9 | Low | 63.6 | Low | 105 Ų | 105 | 86 Ų | 86 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 174 | -85.8 | -74.6 | 0 | 0 | 0 | 111.7 | F16 V23 L24 L99 | F16-F20 WeakPolarHBondContact O-CD2 3.32Å; F16-F20 PolarHBondContact O-N 2.81Å; F20-V23 PolarHBondContact O-N 3.43Å; F20-L24 WeakPolarHBondContact O-CD1 3.24Å; F20-L24 WeakPolarHBondContact O-CG 3.4Å; F20-L24 PolarHBondContact O-N 2.92Å; F20-L99 HydrophobicContact CE1-CD1 4.42Å |
| 21 | S | 53.4 | Low | 64 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | S17 L18 L19 S25 | S17-S21 WeakPolarHBondContact O-CB 3.44Å; S17-S21 PolarHBondContact O-N 3.37Å; S17-S21 VanDerWaalsContact O-N 3.08Å; S17-S21 PolarHBondContact O-OG 2.98Å; L18-S21 PolarHBondContact O-N 3.42Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.2Å; S21-S25 PolarHBondContact O-N 3.49Å |
| 22 | A | 55.3 | Low | 64 | Low | 61 Ų | 61 | 81.9 Ų | 81.9 | 50% | 0.504 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L18 L19 S25 A26 | L18-A22 PolarHBondContact O-N 3.13Å; L19-A22 PolarHBondContact O-N 2.97Å; A22-S25 PolarHBondContact O-N 3.38Å; A22-A26 PolarHBondContact O-N 3.4Å |
| 23 | V | 53.9 | Low | 64.2 | Low | 110 Ų | 110 | 80.5 Ų | 80.5 | 67% | 0.667 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L19 F20 S25 | L19-V23 WeakPolarHBondContact O-CG2 3.41Å; L19-V23 PolarHBondContact O-N 2.93Å; L19-V23 VanDerWaalsContact O-N 3.09Å; F20-V23 PolarHBondContact O-N 3.43Å; V23-S25 PolarHBondContact O-N 3.18Å |
| 24 | L | 51.8 | Low | 64.2 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 57% | 0.571 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -36 | 176.7 | -74.5 | 158.7 | 0 | 0 | 0 | 112.6 | F20 | F20-L24 WeakPolarHBondContact O-CD1 3.24Å; F20-L24 WeakPolarHBondContact O-CG 3.4Å; F20-L24 PolarHBondContact O-N 2.92Å |
| 25 | S | 51.2 | Low | 64.2 | Low | 70 Ų | 70 | 79.9 Ų | 79.9 | 49% | 0.49 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70 | -32.8 | -179.4 | -180 | 0 | 0 | 0 | 0 | 113.4 | S21 A22 V23 H27 | S21-S25 PolarHBondContact O-N 3.49Å; A22-S25 PolarHBondContact O-N 3.38Å; V23-S25 PolarHBondContact O-N 3.18Å; S25-H27 PolarHBondContact O-N 2.98Å |
| 26 | A | 52.8 | Low | 64.2 | Low | 56 Ų | 56 | 75.7 Ų | 75.7 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -26.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A22 F28 R29 | A22-A26 PolarHBondContact O-N 3.4Å; A26-F28 VanDerWaalsContact C-N 3.3Å; A26-F28 PolarHBondContact O-N 3.34Å; A26-R29 PolarHBondContact O-N 2.99Å |
| 27 | H | 55.1 | Low | 64.5 | Low | 50 Ų | 50 | 76.7 Ų | 76.7 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -70.3 | -22.3 | -173.1 | -156 | -59 | 0 | 0 | 0 | 113.9 | S25 E32 Y91 | S25-H27 PolarHBondContact O-N 2.98Å; H27-E32 IonicContact CE1-OE1 3.81Å; H27-E32 PolarHBondContact CE1-OE1 2.87Å; H27-E32 IonicContact CE1-OE2 3.58Å; H27-E32 IonicContact NE2-OE1 3.39Å; H27-Y91 WeakPolarHBondContact CB-OH 3.17Å; H27-Y91 PolarHBondContact CE1-OH 3.35Å; H27-Y91 VanDerWaalsContact CE1-OH 3.25Å; H27-Y91 AromaticContact ND1-CZ 3.89Å; H27-Y91 PolarHBondContact ND1-OH 3.48Å |
| 28 | F | 58.8 | Low | 65 | Low | 95 Ų | 95 | 79.8 Ų | 79.8 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -82.9 | -14.5 | 179 | -67.7 | -77.8 | 0 | 0 | 0 | 114 | A26 V30 C59 Y91 | A26-F28 VanDerWaalsContact C-N 3.3Å; A26-F28 PolarHBondContact O-N 3.34Å; F28-V30 VanDerWaalsContact C-N 3.33Å; F28-C59 PolarHBondContact O-N 3.3Å; F28-Y91 HydrophobicContact CZ-CE1 4.41Å |
| 29 | R | 65.4 | Low | 65.5 | Low | 133 Ų | 133 | 77.5 Ų | 77.5 | 50% | 0.502 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -89.6 | -2.4 | 176.8 | -58.6 | -162.9 | 177.8 | 170.7 | 0.6 | 113.1 | A26 C47 | A26-R29 PolarHBondContact O-N 2.99Å; R29-C47 PolarHBondContact O-N 3.47Å |
| 30 | V | 69.6 | Low | 66.4 | Low | 45 Ų | 45 | 79 Ų | 79 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.6 | -178.2 | -165.3 | 0 | 0 | 0 | 0 | 109 | F28 E32 H46 | F28-V30 VanDerWaalsContact C-N 3.33Å; V30-E32 PolarHBondContact O-N 2.86Å; V30-H46 WeakPolarHBondContact CG2-CE1 3.25Å; V30-H46 WeakPolarHBondContact CG2-ND1 3.3Å |
| 31 | C | 75.8 | Confident | 67.3 | Low | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 110.3 | 166.3 | -70.5 | 0 | 0 | 0 | 0 | 108.8 | G44 F45 C59 K68 | C31-G44 CarbonylContact O-C 3.56Å; C31-G44 WeakPolarHBondContact O-CA 3.38Å; C31-F45 HydrophobicContact CB-CD1 4.1Å; C31-F45 HydrophobicContact CB-CD2 4.11Å; C31-F45 HydrophobicContact CB-CE1 3.87Å; C31-F45 HydrophobicContact CB-CE2 3.88Å; C31-F45 HydrophobicContact CB-CG 4.22Å; C31-F45 HydrophobicContact CB-CZ 3.75Å; C31-F45 WeakPolarHBondContact CB-O 3.2Å; C31-F45 PolarHBondContact N-O 2.91Å; C31-F45 PolarHBondContact O-N 3.41Å; C31-F45 WeakPolarHBondContact SG-CE2 3.31Å; C31-F45 WeakPolarHBondContact SG-CZ 3.48Å; C31-C59 WeakPolarHBondContact CA-SG 3.26Å; C31-C59 HydrophobicContact CB-CB 4.09Å; C31-C59 WeakPolarHBondContact CB-SG 3.37Å; C31-C59 VanDerWaalsContact SG-CA 3.59Å; C31-C59 WeakPolarHBondContact SG-CB 3.18Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 2.79Å; C31-K68 HydrophobicContact CB-CB 4.48Å; C31-K68 HydrophobicContact CB-CD 4.31Å |
| 32 | E | 74.2 | Confident | 68.6 | Low | 95 Ų | 95 | 79.4 Ų | 79.4 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | trans | -61.4 | 149.2 | 174.3 | -67 | -179 | 128 | 0 | 0 | 112 | H27 V30 K68 | H27-E32 IonicContact CE1-OE1 3.81Å; H27-E32 PolarHBondContact CE1-OE1 2.87Å; H27-E32 IonicContact CE1-OE2 3.58Å; H27-E32 IonicContact NE2-OE1 3.39Å; V30-E32 PolarHBondContact O-N 2.86Å; E32-K68 PolarHBondContact O-NZ 3.32Å | ||
| 33 | P | 77.6 | Confident | 69.8 | Low | 65 Ų | 65 | 84.4 Ų | 84.4 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | trans | -56.2 | 146.3 | 174 | 24.5 | -33.4 | 0 | 0 | 0 | 111.3 | Y41 H42 | P33-Y41 HydrophobicContact CB-CE1 4.48Å; P33-Y41 HydrophobicContact CB-CE2 4Å; P33-Y41 WeakPolarHBondContact CB-OH 3.48Å; P33-H42 VanDerWaalsContact CA-O 3.24Å; P33-H42 WeakPolarHBondContact CA-O 3.27Å; P33-H42 WeakPolarHBondContact CB-O 3.46Å | ||
| 34 | Y | 72.6 | Confident | 71 | Confident | 30 Ų | 30 | 81 Ų | 81 | 12% | 0.118 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.6 | -178.4 | 63.7 | -84.9 | 0 | 0 | 0 | 111.1 | H42 V66 F67 K68 | Y34-H42 HydrophobicContact CD1-CB 4.08Å; Y34-H42 HydrophobicContact CD2-CB 4.2Å; Y34-H42 HydrophobicContact CE1-CB 3.74Å; Y34-H42 HydrophobicContact CE2-CB 3.87Å; Y34-H42 AromaticContact CE2-CD2 3.7Å; Y34-H42 AromaticContact CE2-CG 3.8Å; Y34-H42 HydrophobicContact CG-CB 4.31Å; Y34-H42 AromaticContact CZ-CG 3.8Å; Y34-H42 PolarHBondContact N-O 3.4Å; Y34-H42 VanDerWaalsContact N-O 3.11Å; Y34-H42 WeakPolarHBondContact O-CB 3.4Å; Y34-H42 PolarHBondContact O-N 3.45Å; Y34-V66 HydrophobicContact CD2-CG1 3.89Å; Y34-V66 WeakPolarHBondContact CD2-O 3.42Å; Y34-V66 HydrophobicContact CE2-CG1 4.2Å; Y34-V66 WeakPolarHBondContact CE2-O 3.28Å; Y34-F67 HydrophobicContact CE2-CD1 4.45Å; Y34-F67 WeakPolarHBondContact OH-CA 3.41Å; Y34-F67 WeakPolarHBondContact OH-CD1 3.32Å; Y34-K68 HydrophobicContact CD1-CB 4.35Å; Y34-K68 HydrophobicContact CD1-CD 3.57Å; Y34-K68 HydrophobicContact CD1-CG 3.78Å; Y34-K68 HydrophobicContact CE1-CB 3.8Å; Y34-K68 HydrophobicContact CE1-CD 3.92Å; Y34-K68 HydrophobicContact CE1-CG 3.69Å; Y34-K68 HydrophobicContact CG-CD 4.29Å; Y34-K68 HydrophobicContact CG-CG 4.4Å; Y34-K68 PolarHBondContact OH-N 3.31Å |
| 35 | T | 75.8 | Confident | 72.4 | Confident | 89 Ų | 89 | 77 Ų | 77 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.3 | 172.1 | 47.5 | 0 | 0 | 0 | 0 | 109.8 | R40 Y41 | T35-R40 CarbonylContact C-O 3.57Å; T35-R40 WeakPolarHBondContact CA-O 3.39Å; T35-Y41 HydrophobicContact CG2-CD2 4.08Å |
| 36 | D | 76.7 | Confident | 73.8 | Confident | 7 Ų | 7 | 80 Ų | 80 | 4% | 0.037 | 40% | 0.4 | C | S | . | . | trans | -64.4 | 162.5 | 174 | -168.2 | 20.5 | 0 | 0 | 0 | 111.1 | K38 G39 R40 V66 | D36-K38 PolarHBondContact O-N 2.86Å; D36-G39 WeakPolarHBondContact O-CA 3.37Å; D36-G39 PolarHBondContact O-N 3.17Å; D36-R40 HydrophobicContact CB-CB 4.28Å; D36-R40 PolarHBondContact N-O 2.95Å; D36-R40 IonicContact OD2-NH2 3.99Å; D36-V66 VanDerWaalsContact OD1-CB 3.3Å; D36-V66 WeakPolarHBondContact OD1-CB 3.33Å | ||
| 37 | H | 76.4 | Confident | 75 | Confident | 132 Ų | 132 | 77.8 Ų | 77.8 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20 | 173.4 | 59.6 | -75.3 | 0 | 0 | 0 | 113 | G39 V66 | H37-G39 VanDerWaalsContact C-N 3.31Å; H37-V66 HydrophobicContact CB-CG2 4.02Å |
| 38 | K | 80.1 | Confident | 75.9 | Confident | 137 Ų | 137 | 78.2 Ų | 78.2 | 60% | 0.596 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 9 | 173.4 | -66 | 173.5 | 179.3 | 179.5 | 0 | 113.5 | D36 R40 | D36-K38 PolarHBondContact O-N 2.86Å; K38-R40 PolarHBondContact O-N 3Å |
| 39 | G | 77.4 | Confident | 76.7 | Confident | 61 Ų | 61 | 79.9 Ų | 79.9 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 71.2 | 11.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D36 H37 | D36-G39 WeakPolarHBondContact O-CA 3.37Å; D36-G39 PolarHBondContact O-N 3.17Å; H37-G39 VanDerWaalsContact C-N 3.31Å |
| 40 | R | 81.3 | Confident | 77.1 | Confident | 134 Ų | 134 | 82.5 Ų | 82.5 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | trans | -82.6 | 128.5 | 179.7 | -69.5 | -173.4 | -73 | -179.5 | 1.8 | 110.1 | T35 D36 K38 H42 | T35-R40 CarbonylContact C-O 3.57Å; T35-R40 WeakPolarHBondContact CA-O 3.39Å; D36-R40 HydrophobicContact CB-CB 4.28Å; D36-R40 PolarHBondContact N-O 2.95Å; D36-R40 IonicContact OD2-NH2 3.99Å; K38-R40 PolarHBondContact O-N 3Å; R40-H42 PolarHBondContact O-CD2 2.88Å | ||
| 41 | Y | 79.3 | Confident | 77.3 | Confident | 136 Ų | 136 | 85.9 Ų | 85.9 | 53% | 0.533 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.7 | 179.6 | -176.4 | -97.1 | 0 | 0 | 0 | 111 | P33 T35 F43 | P33-Y41 HydrophobicContact CB-CE1 4.48Å; P33-Y41 HydrophobicContact CB-CE2 4Å; P33-Y41 WeakPolarHBondContact CB-OH 3.48Å; T35-Y41 HydrophobicContact CG2-CD2 4.08Å; Y41-F43 HydrophobicContact CD1-CD1 4.4Å; Y41-F43 HydrophobicContact CD1-CE1 4.33Å; Y41-F43 AromaticContact CE1-CD1 3.8Å; Y41-F43 HydrophobicContact CE1-CD1 3.8Å; Y41-F43 AromaticContact CE1-CE1 3.96Å; Y41-F43 HydrophobicContact CE1-CE1 3.96Å; Y41-F43 HydrophobicContact CE1-CG 4.41Å |
| 42 | H | 80.1 | Confident | 77.2 | Confident | 53 Ų | 53 | 88.7 Ų | 88.7 | 25% | 0.245 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.9 | 174.6 | -69 | -89.3 | 0 | 0 | 0 | 109.9 | P33 Y34 R40 F67 | P33-H42 VanDerWaalsContact CA-O 3.24Å; P33-H42 WeakPolarHBondContact CA-O 3.27Å; P33-H42 WeakPolarHBondContact CB-O 3.46Å; Y34-H42 HydrophobicContact CD1-CB 4.08Å; Y34-H42 HydrophobicContact CD2-CB 4.2Å; Y34-H42 HydrophobicContact CE1-CB 3.74Å; Y34-H42 HydrophobicContact CE2-CB 3.87Å; Y34-H42 AromaticContact CE2-CD2 3.7Å; Y34-H42 AromaticContact CE2-CG 3.8Å; Y34-H42 HydrophobicContact CG-CB 4.31Å; Y34-H42 AromaticContact CZ-CG 3.8Å; Y34-H42 PolarHBondContact N-O 3.4Å; Y34-H42 VanDerWaalsContact N-O 3.11Å; Y34-H42 WeakPolarHBondContact O-CB 3.4Å; Y34-H42 PolarHBondContact O-N 3.45Å; R40-H42 PolarHBondContact O-CD2 2.88Å; H42-F67 AromaticContact CE1-CE1 3.7Å; H42-F67 AromaticContact NE2-CE1 3.77Å |
| 43 | F | 79.6 | Confident | 77.3 | Confident | 166 Ų | 166 | 89.1 Ų | 89.1 | 73% | 0.728 | 46% | 0.462 | S | S | * | . | trans | -64.8 | 145.4 | 176.6 | -59.8 | -78.9 | 0 | 0 | 0 | 111.4 | Y41 | Y41-F43 HydrophobicContact CD1-CD1 4.4Å; Y41-F43 HydrophobicContact CD1-CE1 4.33Å; Y41-F43 AromaticContact CE1-CD1 3.8Å; Y41-F43 HydrophobicContact CE1-CD1 3.8Å; Y41-F43 AromaticContact CE1-CE1 3.96Å; Y41-F43 HydrophobicContact CE1-CE1 3.96Å; Y41-F43 HydrophobicContact CE1-CG 4.41Å | ||
| 44 | G | 79.4 | Confident | 77.4 | Confident | 37 Ų | 37 | 94.7 Ų | 94.7 | 38% | 0.381 | 48% | 0.479 | S | S | . | . | trans | -67.4 | 151.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C31 | C31-G44 CarbonylContact O-C 3.56Å; C31-G44 WeakPolarHBondContact O-CA 3.38Å | ||
| 45 | F | 81.3 | Confident | 77.5 | Confident | 25 Ų | 25 | 96.3 Ų | 96.3 | 11% | 0.11 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 153.4 | -179.6 | 58.7 | -91.2 | 0 | 0 | 0 | 111.7 | C31 K68 | C31-F45 HydrophobicContact CB-CD1 4.1Å; C31-F45 HydrophobicContact CB-CD2 4.11Å; C31-F45 HydrophobicContact CB-CE1 3.87Å; C31-F45 HydrophobicContact CB-CE2 3.88Å; C31-F45 HydrophobicContact CB-CG 4.22Å; C31-F45 HydrophobicContact CB-CZ 3.75Å; C31-F45 WeakPolarHBondContact CB-O 3.2Å; C31-F45 PolarHBondContact N-O 2.91Å; C31-F45 PolarHBondContact O-N 3.41Å; C31-F45 WeakPolarHBondContact SG-CE2 3.31Å; C31-F45 WeakPolarHBondContact SG-CZ 3.48Å; F45-K68 HydrophobicContact CE1-CB 4.48Å; F45-K68 HydrophobicContact CZ-CB 4.28Å; F45-K68 WeakPolarHBondContact CZ-O 3.4Å |
| 46 | H | 80.4 | Confident | 77.6 | Confident | 133 Ų | 133 | 94.6 Ų | 94.6 | 62% | 0.616 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 143.9 | 177.1 | -71.8 | -91.7 | 0 | 0 | 0 | 111.3 | V30 | V30-H46 WeakPolarHBondContact CG2-CE1 3.25Å; V30-H46 WeakPolarHBondContact CG2-ND1 3.3Å |
| 47 | C | 77.8 | Confident | 77.6 | Confident | 10 Ų | 10 | 96.1 Ų | 96.1 | 7% | 0.068 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -104.3 | 141.2 | 172.4 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | R29 F56 C70 | R29-C47 PolarHBondContact O-N 3.47Å; C47-F56 WeakPolarHBondContact CB-O 3.43Å; C47-C70 VanDerWaalsContact CA-SG 3.53Å; C47-C70 HydrophobicContact CB-CB 3.84Å; C47-C70 WeakPolarHBondContact CB-SG 3.48Å; C47-C70 VanDerWaalsContact SG-CA 3.5Å; C47-C70 WeakPolarHBondContact SG-CB 3.44Å; C47-C70 CovalentContact SG-SG 2.04Å; C47-C70 PolarHBondContact SG-SG 3.07Å |
| 48 | P | 74.4 | Confident | 77.4 | Confident | 60 Ų | 60 | 91.1 Ų | 91.1 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | S | Bend | cis | -80.4 | 146.4 | -1.5 | 31.6 | -32.7 | 0 | 0 | 0 | 112.2 | D52 F56 | P48-D52 HydrophobicContact CB-CB 4.3Å; P48-F56 WeakPolarHBondContact CA-O 3.27Å; P48-F56 WeakPolarHBondContact CB-O 3.48Å |
| 49 | R | 76.3 | Confident | 77.3 | Confident | 129 Ų | 129 | 85.5 Ų | 85.5 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | trans | -71.5 | 160.9 | 167.8 | -64.3 | -177.7 | 161.4 | -179.4 | -3.9 | 110 | S51 D52 | R49-S51 PolarHBondContact O-N 3.37Å; R49-D52 HydrophobicContact CB-CB 4.38Å; R49-D52 VanDerWaalsContact CB-OD2 3.26Å; R49-D52 WeakPolarHBondContact CB-OD2 3.23Å; R49-D52 PolarHBondContact N-OD2 3.39Å; R49-D52 PolarHBondContact O-N 2.81Å | ||
| 50 | L | 73.6 | Confident | 77.3 | Confident | 189 Ų | 189 | 82.6 Ų | 82.6 | 99% | 0.99 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.3 | 177.6 | -157.6 | 72.7 | 0 | 0 | 0 | 113.1 | ||
| 51 | S | 72.5 | Confident | 77 | Confident | 116 Ų | 116 | 79.5 Ų | 79.5 | 81% | 0.811 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -11.6 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 113.6 | R49 | R49-S51 PolarHBondContact O-N 3.37Š|
| 52 | D | 74.9 | Confident | 76.7 | Confident | 58 Ų | 58 | 77.1 Ų | 77.1 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -93.8 | 153.2 | -176.4 | -64.7 | -29.2 | 0 | 0 | 0 | 110.3 | P48 R49 F56 | P48-D52 HydrophobicContact CB-CB 4.3Å; R49-D52 HydrophobicContact CB-CB 4.38Å; R49-D52 VanDerWaalsContact CB-OD2 3.26Å; R49-D52 WeakPolarHBondContact CB-OD2 3.23Å; R49-D52 PolarHBondContact N-OD2 3.39Å; R49-D52 PolarHBondContact O-N 2.81Å; D52-F56 HydrophobicContact CB-CB 4.26Å |
| 53 | N | 76.6 | Confident | 76.1 | Confident | 105 Ų | 105 | 80.9 Ų | 80.9 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | trans | -69.4 | 149.9 | 175.4 | -171.8 | -15.9 | 0 | 0 | 0 | 110.1 | T55 F56 | N53-T55 PolarHBondContact O-N 3.39Å; N53-F56 HydrophobicContact CB-CD2 3.68Å; N53-F56 HydrophobicContact CB-CE2 3.83Å; N53-F56 WeakPolarHBondContact O-CB 3.35Å; N53-F56 PolarHBondContact O-N 3.34Å | ||
| 54 | K | 79.5 | Confident | 75 | Confident | 181 Ų | 181 | 79.8 Ų | 79.8 | 79% | 0.787 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -21.6 | -175.6 | -170.3 | 170.9 | -177.7 | 172.3 | 0 | 113.8 | F56 I57 | K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 2.79Å; K54-I57 WeakPolarHBondContact O-CG2 3.47Å |
| 55 | T | 74.4 | Confident | 74.2 | Confident | 65 Ų | 65 | 81 Ų | 81 | 40% | 0.399 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.9 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | N53 I57 N72 | N53-T55 PolarHBondContact O-N 3.39Å; T55-I57 PolarHBondContact O-N 2.92Å; T55-I57 VanDerWaalsContact O-N 3.14Å; T55-N72 PolarHBondContact O-OD1 2.88Å |
| 56 | F | 77.3 | Confident | 73.3 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 23% | 0.228 | 43% | 0.426 | C | S | . | . | trans | -91.5 | 70.8 | -175.3 | -70.7 | -108 | 0 | 0 | 0 | 110.5 | C47 P48 D52 N53 K54 C70 C71 | C47-F56 WeakPolarHBondContact CB-O 3.43Å; P48-F56 WeakPolarHBondContact CA-O 3.27Å; P48-F56 WeakPolarHBondContact CB-O 3.48Å; D52-F56 HydrophobicContact CB-CB 4.26Å; N53-F56 HydrophobicContact CB-CD2 3.68Å; N53-F56 HydrophobicContact CB-CE2 3.83Å; N53-F56 WeakPolarHBondContact O-CB 3.35Å; N53-F56 PolarHBondContact O-N 3.34Å; K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 2.79Å; F56-C70 HydrophobicContact CB-CB 4.08Å; F56-C70 WeakPolarHBondContact CD1-O 3.33Å; F56-C71 CarbonylContact C-O 3.44Å; F56-C71 WeakPolarHBondContact CA-O 3.47Å; F56-C71 VanDerWaalsContact CD1-CA 3.47Å | ||
| 57 | I | 76.6 | Confident | 72.7 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 21% | 0.205 | 42% | 0.415 | C | S | . | . | trans | -96.8 | -9.1 | -173.6 | 65 | 171.8 | 0 | 0 | 0 | 114 | K54 T55 | K54-I57 WeakPolarHBondContact O-CG2 3.47Å; T55-I57 PolarHBondContact O-N 2.92Å; T55-I57 VanDerWaalsContact O-N 3.14Å | ||
| 58 | L | 73.4 | Confident | 72.8 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.8 | -174.9 | -63.5 | 105.8 | 0 | 0 | 0 | 112.2 | C70 C71 E73 F76 | L58-C70 CarbonylContact O-C 3.49Å; L58-C70 WeakPolarHBondContact O-CA 3.43Å; L58-C71 PolarHBondContact N-O 3.34Å; L58-C71 PolarHBondContact O-N 2.89Å; L58-C71 PolarHBondContact O-SG 2.83Å; L58-E73 HydrophobicContact CD1-CB 4.28Å; L58-E73 HydrophobicContact CD1-CG 3.5Å; L58-F76 HydrophobicContact CB-CB 4.45Å; L58-F76 HydrophobicContact CB-CD2 3.81Å; L58-F76 HydrophobicContact CB-CE2 4.34Å; L58-F76 HydrophobicContact CB-CG 4.3Å; L58-F76 HydrophobicContact CD2-CB 4.4Å; L58-F76 HydrophobicContact CD2-CD1 4.01Å; L58-F76 HydrophobicContact CD2-CD2 3.84Å; L58-F76 HydrophobicContact CD2-CE1 4.19Å; L58-F76 HydrophobicContact CD2-CE2 3.98Å; L58-F76 HydrophobicContact CD2-CG 3.84Å; L58-F76 HydrophobicContact CD2-CZ 4.18Å; L58-F76 HydrophobicContact CG-CD2 4.43Å |
| 59 | C | 77.4 | Confident | 73 | Confident | 19 Ų | 19 | 82.7 Ų | 82.7 | 13% | 0.128 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 117 | 171.2 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | F28 C31 M80 | F28-C59 PolarHBondContact O-N 3.3Å; C31-C59 WeakPolarHBondContact CA-SG 3.26Å; C31-C59 HydrophobicContact CB-CB 4.09Å; C31-C59 WeakPolarHBondContact CB-SG 3.37Å; C31-C59 VanDerWaalsContact SG-CA 3.59Å; C31-C59 WeakPolarHBondContact SG-CB 3.18Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 2.79Å; C59-M80 WeakPolarHBondContact O-CE 3.12Å |
| 60 | C | 77.1 | Confident | 73.2 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 156 | 170.7 | -80.3 | 0 | 0 | 0 | 0 | 111.9 | K68 Y69 C71 F76 | C60-K68 CarbonylContact O-C 3.58Å; C60-K68 WeakPolarHBondContact O-CA 3.41Å; C60-Y69 HydrophobicContact CB-CD1 4.42Å; C60-Y69 HydrophobicContact CB-CD2 4.47Å; C60-Y69 HydrophobicContact CB-CE1 3.99Å; C60-Y69 HydrophobicContact CB-CE2 4.05Å; C60-Y69 PolarHBondContact N-O 2.85Å; C60-Y69 PolarHBondContact O-N 3.49Å; C60-C71 HydrophobicContact CB-CB 3.55Å; C60-C71 WeakPolarHBondContact CB-SG 3.35Å; C60-C71 WeakPolarHBondContact SG-CB 3.26Å; C60-C71 CovalentContact SG-SG 2.01Å; C60-C71 PolarHBondContact SG-SG 2.91Å; C60-F76 WeakPolarHBondContact SG-CA 3.44Å |
| 61 | H | 76.1 | Confident | 73.4 | Confident | 68 Ų | 68 | 68 Ų | 68 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.1 | 170.3 | 168.5 | -91.8 | 0 | 0 | 0 | 107.2 | T65 V66 K68 V79 | H61-T65 PolarHBondContact CD2-O 3.33Å; H61-T65 PolarHBondContact CE1-O 3.22Å; H61-T65 PolarHBondContact NE2-O 3.34Å; H61-V66 PolarHBondContact CD2-O 3.37Å; H61-V66 VanDerWaalsContact NE2-CA 3.3Å; H61-V66 WeakPolarHBondContact NE2-CA 3.47Å; H61-K68 HydrophobicContact CB-CG 4.35Å; H61-V79 VanDerWaalsContact O-CG1 3.3Å; H61-V79 WeakPolarHBondContact O-CG1 3.36Å |
| 62 | H | 72.8 | Confident | 73.7 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.6 | 179 | -169.1 | 76.8 | 0 | 0 | 0 | 109.1 | N64 T65 Y69 | H62-N64 PolarHBondContact O-N 3.1Å; H62-T65 WeakPolarHBondContact CB-OG1 3.31Å; H62-T65 CarbonylContact O-C 3.43Å; H62-T65 PolarHBondContact O-N 3.19Å; H62-Y69 HydrophobicContact CB-CE1 4.13Å |
| 63 | N | 66.6 | Low | 73.5 | Confident | 132 Ų | 132 | 67.7 Ų | 67.7 | 71% | 0.706 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -31 | -174.9 | -164.9 | -6.9 | 0 | 0 | 0 | 113.7 | ||
| 64 | N | 56.2 | Low | 73.1 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 76% | 0.759 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 0.1 | -178.3 | -154.6 | 14.9 | 0 | 0 | 0 | 115.6 | H62 | H62-N64 PolarHBondContact O-N 3.1Š|
| 65 | T | 62.3 | Low | 72.6 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 129.9 | 179.7 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | H61 H62 F67 | H61-T65 PolarHBondContact CD2-O 3.33Å; H61-T65 PolarHBondContact CE1-O 3.22Å; H61-T65 PolarHBondContact NE2-O 3.34Å; H62-T65 WeakPolarHBondContact CB-OG1 3.31Å; H62-T65 CarbonylContact O-C 3.43Å; H62-T65 PolarHBondContact O-N 3.19Å; T65-F67 PolarHBondContact O-N 2.91Å |
| 66 | V | 63.6 | Low | 72.2 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 26% | 0.261 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | -6.6 | 179.7 | -167.6 | 0 | 0 | 0 | 0 | 113.6 | Y34 D36 H37 H61 K68 | Y34-V66 HydrophobicContact CD2-CG1 3.89Å; Y34-V66 WeakPolarHBondContact CD2-O 3.42Å; Y34-V66 HydrophobicContact CE2-CG1 4.2Å; Y34-V66 WeakPolarHBondContact CE2-O 3.28Å; D36-V66 VanDerWaalsContact OD1-CB 3.3Å; D36-V66 WeakPolarHBondContact OD1-CB 3.33Å; H37-V66 HydrophobicContact CB-CG2 4.02Å; H61-V66 PolarHBondContact CD2-O 3.37Å; H61-V66 VanDerWaalsContact NE2-CA 3.3Å; H61-V66 WeakPolarHBondContact NE2-CA 3.47Å; V66-K68 PolarHBondContact O-N 3.29Å |
| 67 | F | 67.8 | Low | 71.5 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 39% | 0.386 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.8 | -178.1 | -59.9 | -66.8 | 0 | 0 | 0 | 113.1 | Y34 H42 T65 | Y34-F67 HydrophobicContact CE2-CD1 4.45Å; Y34-F67 WeakPolarHBondContact OH-CA 3.41Å; Y34-F67 WeakPolarHBondContact OH-CD1 3.32Å; H42-F67 AromaticContact CE1-CE1 3.7Å; H42-F67 AromaticContact NE2-CE1 3.77Å; T65-F67 PolarHBondContact O-N 2.91Å |
| 68 | K | 78.8 | Confident | 70.8 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 22% | 0.217 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 143.5 | 167.7 | -56 | -176.6 | -174.5 | 174.3 | 0 | 110.1 | C31 E32 Y34 F45 C60 H61 V66 | C31-K68 HydrophobicContact CB-CB 4.48Å; C31-K68 HydrophobicContact CB-CD 4.31Å; E32-K68 PolarHBondContact O-NZ 3.32Å; Y34-K68 HydrophobicContact CD1-CB 4.35Å; Y34-K68 HydrophobicContact CD1-CD 3.57Å; Y34-K68 HydrophobicContact CD1-CG 3.78Å; Y34-K68 HydrophobicContact CE1-CB 3.8Å; Y34-K68 HydrophobicContact CE1-CD 3.92Å; Y34-K68 HydrophobicContact CE1-CG 3.69Å; Y34-K68 HydrophobicContact CG-CD 4.29Å; Y34-K68 HydrophobicContact CG-CG 4.4Å; Y34-K68 PolarHBondContact OH-N 3.31Å; F45-K68 HydrophobicContact CE1-CB 4.48Å; F45-K68 HydrophobicContact CZ-CB 4.28Å; F45-K68 WeakPolarHBondContact CZ-O 3.4Å; C60-K68 CarbonylContact O-C 3.58Å; C60-K68 WeakPolarHBondContact O-CA 3.41Å; H61-K68 HydrophobicContact CB-CG 4.35Å; V66-K68 PolarHBondContact O-N 3.29Å |
| 69 | Y | 78.7 | Confident | 70.1 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 159.9 | 178.3 | 64.4 | -80 | 0 | 0 | 0 | 111.1 | C60 H62 C71 | C60-Y69 HydrophobicContact CB-CD1 4.42Å; C60-Y69 HydrophobicContact CB-CD2 4.47Å; C60-Y69 HydrophobicContact CB-CE1 3.99Å; C60-Y69 HydrophobicContact CB-CE2 4.05Å; C60-Y69 PolarHBondContact N-O 2.85Å; C60-Y69 PolarHBondContact O-N 3.49Å; H62-Y69 HydrophobicContact CB-CE1 4.13Å; Y69-C71 HydrophobicContact CD2-CB 4.48Å; Y69-C71 HydrophobicContact CE2-CB 4.06Å |
| 70 | C | 81.1 | Confident | 69.3 | Low | 10 Ų | 10 | 69.4 Ų | 69.4 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.8 | 174.8 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | C47 F56 L58 | C47-C70 VanDerWaalsContact CA-SG 3.53Å; C47-C70 HydrophobicContact CB-CB 3.84Å; C47-C70 WeakPolarHBondContact CB-SG 3.48Å; C47-C70 VanDerWaalsContact SG-CA 3.5Å; C47-C70 WeakPolarHBondContact SG-CB 3.44Å; C47-C70 CovalentContact SG-SG 2.04Å; C47-C70 PolarHBondContact SG-SG 3.07Å; F56-C70 HydrophobicContact CB-CB 4.08Å; F56-C70 WeakPolarHBondContact CD1-O 3.33Å; L58-C70 CarbonylContact O-C 3.49Å; L58-C70 WeakPolarHBondContact O-CA 3.43Å |
| 71 | C | 77.1 | Confident | 68.2 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 162.1 | -178.7 | 61 | 0 | 0 | 0 | 0 | 111.3 | F56 L58 C60 Y69 E75 | F56-C71 CarbonylContact C-O 3.44Å; F56-C71 WeakPolarHBondContact CA-O 3.47Å; F56-C71 VanDerWaalsContact CD1-CA 3.47Å; L58-C71 PolarHBondContact N-O 3.34Å; L58-C71 PolarHBondContact O-N 2.89Å; L58-C71 PolarHBondContact O-SG 2.83Å; C60-C71 HydrophobicContact CB-CB 3.55Å; C60-C71 WeakPolarHBondContact CB-SG 3.35Å; C60-C71 WeakPolarHBondContact SG-CB 3.26Å; C60-C71 CovalentContact SG-SG 2.01Å; C60-C71 PolarHBondContact SG-SG 2.91Å; Y69-C71 HydrophobicContact CD2-CB 4.48Å; Y69-C71 HydrophobicContact CE2-CB 4.06Å; C71-E75 HydrophobicContact CB-CB 4.15Å |
| 72 | N | 79.6 | Confident | 67 | Low | 46 Ų | 46 | 74.4 Ų | 74.4 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | trans | -79.7 | 163.9 | 171.3 | -167.5 | 11.1 | 0 | 0 | 0 | 111.1 | T55 T74 E75 F76 | T55-N72 PolarHBondContact O-OD1 2.88Å; N72-T74 VanDerWaalsContact C-N 3.28Å; N72-T74 PolarHBondContact O-N 3.07Å; N72-E75 PolarHBondContact O-N 3.49Å; N72-E75 VanDerWaalsContact O-N 3.16Å; N72-F76 WeakPolarHBondContact O-CB 3.44Å; N72-F76 PolarHBondContact O-N 3.37Å | ||
| 73 | E | 71.3 | Confident | 65.6 | Low | 122 Ų | 122 | 76.6 Ų | 76.6 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -53.7 | -41.2 | 178.1 | -69 | 171.2 | -175.4 | 0 | 0 | 113 | L58 F76 Q77 | L58-E73 HydrophobicContact CD1-CB 4.28Å; L58-E73 HydrophobicContact CD1-CG 3.5Å; E73-F76 WeakPolarHBondContact O-CB 3.49Å; E73-F76 PolarHBondContact O-N 3.39Å; E73-Q77 PolarHBondContact O-N 3Å; E73-Q77 VanDerWaalsContact O-N 3.07Å |
| 74 | T | 68.6 | Low | 64.8 | Low | 94 Ų | 94 | 78.3 Ų | 78.3 | 58% | 0.577 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.8 | -37.3 | -179.9 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | N72 A78 | N72-T74 VanDerWaalsContact C-N 3.28Å; N72-T74 PolarHBondContact O-N 3.07Å; T74-A78 PolarHBondContact O-N 2.89Å |
| 75 | E | 67.9 | Low | 64.2 | Low | 84 Ų | 84 | 77.4 Ų | 77.4 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.4 | -34.6 | 176.5 | -68.4 | -170.8 | 159.5 | 0 | 0 | 111.2 | C71 N72 Q77 A78 V79 | C71-E75 HydrophobicContact CB-CB 4.15Å; N72-E75 PolarHBondContact O-N 3.49Å; N72-E75 VanDerWaalsContact O-N 3.16Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 2.9Å; E75-A78 PolarHBondContact O-N 3.45Å; E75-V79 VanDerWaalsContact O-CB 3.27Å; E75-V79 WeakPolarHBondContact O-CB 3.05Å; E75-V79 VanDerWaalsContact O-CG2 3.28Å; E75-V79 WeakPolarHBondContact O-CG2 3.41Å; E75-V79 PolarHBondContact O-N 3.09Å |
| 76 | F | 66 | Low | 63.4 | Low | 37 Ų | 37 | 77.6 Ų | 77.6 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 172.2 | -177.8 | -92.8 | 0 | 0 | 0 | 111.7 | L58 C60 N72 E73 A78 M80 | L58-F76 HydrophobicContact CB-CB 4.45Å; L58-F76 HydrophobicContact CB-CD2 3.81Å; L58-F76 HydrophobicContact CB-CE2 4.34Å; L58-F76 HydrophobicContact CB-CG 4.3Å; L58-F76 HydrophobicContact CD2-CB 4.4Å; L58-F76 HydrophobicContact CD2-CD1 4.01Å; L58-F76 HydrophobicContact CD2-CD2 3.84Å; L58-F76 HydrophobicContact CD2-CE1 4.19Å; L58-F76 HydrophobicContact CD2-CE2 3.98Å; L58-F76 HydrophobicContact CD2-CG 3.84Å; L58-F76 HydrophobicContact CD2-CZ 4.18Å; L58-F76 HydrophobicContact CG-CD2 4.43Å; C60-F76 WeakPolarHBondContact SG-CA 3.44Å; N72-F76 WeakPolarHBondContact O-CB 3.44Å; N72-F76 PolarHBondContact O-N 3.37Å; E73-F76 WeakPolarHBondContact O-CB 3.49Å; E73-F76 PolarHBondContact O-N 3.39Å; F76-A78 VanDerWaalsContact C-N 3.31Å; F76-A78 PolarHBondContact O-N 3.31Å; F76-M80 HydrophobicContact CD2-CE 3.72Å; F76-M80 HydrophobicContact CD2-SD 4.23Å; F76-M80 HydrophobicContact CE1-SD 4.21Å; F76-M80 HydrophobicContact CE2-CE 3.13Å; F76-M80 HydrophobicContact CE2-SD 3.38Å; F76-M80 WeakPolarHBondContact CE2-SD 3.2Å; F76-M80 HydrophobicContact CZ-CE 3.82Å; F76-M80 HydrophobicContact CZ-SD 3.35Å; F76-M80 WeakPolarHBondContact CZ-SD 3.48Å; F76-M80 VanDerWaalsContact O-CB 3.24Å; F76-M80 WeakPolarHBondContact O-CB 2.98Å; F76-M80 PolarHBondContact O-N 3.31Å |
| 77 | Q | 62.9 | Low | 62.5 | Low | 124 Ų | 124 | 79.3 Ų | 79.3 | 58% | 0.579 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.1 | -36.1 | 178.2 | -166.1 | 174.5 | -4.7 | 0 | 0 | 112.5 | E73 E75 | E73-Q77 PolarHBondContact O-N 3Å; E73-Q77 VanDerWaalsContact O-N 3.07Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 2.9Å |
| 78 | A | 60.6 | Low | 61.4 | Low | 79 Ų | 79 | 78.1 Ų | 78.1 | 65% | 0.653 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -80.3 | -39.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T74 E75 F76 | T74-A78 PolarHBondContact O-N 2.89Å; E75-A78 PolarHBondContact O-N 3.45Å; F76-A78 VanDerWaalsContact C-N 3.31Å; F76-A78 PolarHBondContact O-N 3.31Å |
| 79 | V | 60.1 | Low | 59.8 | Low | 40 Ų | 40 | 83.9 Ų | 83.9 | 24% | 0.242 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -90.5 | -37.4 | -171.7 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | H61 E75 Q81 | H61-V79 VanDerWaalsContact O-CG1 3.3Å; H61-V79 WeakPolarHBondContact O-CG1 3.36Å; E75-V79 VanDerWaalsContact O-CB 3.27Å; E75-V79 WeakPolarHBondContact O-CB 3.05Å; E75-V79 VanDerWaalsContact O-CG2 3.28Å; E75-V79 WeakPolarHBondContact O-CG2 3.41Å; E75-V79 PolarHBondContact O-N 3.09Å; V79-Q81 PolarHBondContact O-N 3.41Å |
| 80 | M | 60.5 | Low | 58.2 | Low | 66 Ų | 66 | 82.7 Ų | 82.7 | 33% | 0.325 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.2 | 178.7 | -158.2 | 172.6 | -73.1 | 0 | 0 | 112.5 | C59 F76 A82 | C59-M80 WeakPolarHBondContact O-CE 3.12Å; F76-M80 HydrophobicContact CD2-CE 3.72Å; F76-M80 HydrophobicContact CD2-SD 4.23Å; F76-M80 HydrophobicContact CE1-SD 4.21Å; F76-M80 HydrophobicContact CE2-CE 3.13Å; F76-M80 HydrophobicContact CE2-SD 3.38Å; F76-M80 WeakPolarHBondContact CE2-SD 3.2Å; F76-M80 HydrophobicContact CZ-CE 3.82Å; F76-M80 HydrophobicContact CZ-SD 3.35Å; F76-M80 WeakPolarHBondContact CZ-SD 3.48Å; F76-M80 VanDerWaalsContact O-CB 3.24Å; F76-M80 WeakPolarHBondContact O-CB 2.98Å; F76-M80 PolarHBondContact O-N 3.31Å; M80-A82 VanDerWaalsContact C-N 3.27Å; M80-A82 PolarHBondContact O-N 3.18Å |
| 81 | Q | 53.2 | Low | 56.7 | Low | 149 Ų | 149 | 85.7 Ų | 85.7 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 46.9 | 178 | -149.5 | 169.4 | -13.9 | 0 | 0 | 112.3 | V79 N83 | V79-Q81 PolarHBondContact O-N 3.41Å; Q81-N83 PolarHBondContact O-N 3.33Å; Q81-N83 VanDerWaalsContact O-N 3.11Å |
| 82 | A | 51.3 | Low | 55.2 | Low | 24 Ų | 24 | 90.5 Ų | 90.5 | 20% | 0.198 | 51% | 0.51 | C | S | . | . | trans | -82.9 | 79.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M80 L84 | M80-A82 VanDerWaalsContact C-N 3.27Å; M80-A82 PolarHBondContact O-N 3.18Å; A82-L84 PolarHBondContact O-N 2.97Å | ||
| 83 | N | 43.5 | Very low | 53.7 | Low | 133 Ų | 133 | 94.9 Ų | 94.9 | 71% | 0.711 | 53% | 0.529 | S | S | * | . | -65.1 | 114.9 | 127 | -92.3 | -18.2 | 0 | 0 | 0 | 104.1 | Q81 T85 A86 | Q81-N83 PolarHBondContact O-N 3.33Å; Q81-N83 VanDerWaalsContact O-N 3.11Å; N83-T85 PolarHBondContact O-N 3.44Å; N83-A86 PolarHBondContact O-N 2.91Å | |||
| 84 | L | 50.1 | Low | 52.9 | Low | 168 Ų | 168 | 95.1 Ų | 95.1 | 88% | 0.88 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 12.6 | -179 | -91.6 | 120.6 | 0 | 0 | 0 | 115.5 | A82 | A82-L84 PolarHBondContact O-N 2.97Š|
| 85 | T | 44.4 | Very low | 52.4 | Low | 123 Ų | 123 | 93.2 Ų | 93.2 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -21.9 | -177.1 | -19.1 | 0 | 0 | 0 | 0 | 113.6 | N83 | N83-T85 PolarHBondContact O-N 3.44Š|
| 86 | A | 44.8 | Very low | 52.1 | Low | 66 Ų | 66 | 95.7 Ų | 95.7 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -28.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N83 S88 | N83-A86 PolarHBondContact O-N 2.91Å; A86-S88 PolarHBondContact O-N 2.89Å |
| 87 | S | 44.5 | Very low | 52.3 | Low | 79 Ų | 79 | 98.2 Ų | 98.2 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 17.2 | 179.7 | -159.3 | 0 | 0 | 0 | 0 | 113.7 | E89 | S87-E89 VanDerWaalsContact C-N 3.35Š|
| 88 | S | 44.2 | Very low | 52.7 | Low | 64 Ų | 64 | 95.1 Ų | 95.1 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.3 | -24.5 | 166.7 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | A86 M92 | A86-S88 PolarHBondContact O-N 2.89Å; S88-M92 WeakPolarHBondContact O-CB 3.33Å; S88-M92 WeakPolarHBondContact O-CG 3.39Å; S88-M92 PolarHBondContact O-N 3.44Å; S88-M92 WeakPolarHBondContact OG-CG 3.31Å |
| 89 | E | 44.6 | Very low | 53.3 | Low | 171 Ų | 171 | 95.6 Ų | 95.6 | 80% | 0.799 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -80 | -31 | -167.1 | -67.3 | -170.8 | 147.2 | 0 | 0 | 114.1 | S87 | S87-E89 VanDerWaalsContact C-N 3.35Å |
| 90 | G | 46.2 | Very low | 54.1 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -89 | -30.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 91 | Y | 48.6 | Very low | 55 | Low | 72 Ų | 72 | 95.5 Ų | 95.5 | 28% | 0.282 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -85.7 | -16.8 | -178.1 | -153.5 | -96.5 | 0 | 0 | 0 | 113 | H27 F28 N95 | H27-Y91 WeakPolarHBondContact CB-OH 3.17Å; H27-Y91 PolarHBondContact CE1-OH 3.35Å; H27-Y91 VanDerWaalsContact CE1-OH 3.25Å; H27-Y91 AromaticContact ND1-CZ 3.89Å; H27-Y91 PolarHBondContact ND1-OH 3.48Å; F28-Y91 HydrophobicContact CZ-CE1 4.41Å; Y91-N95 WeakPolarHBondContact CE1-ND2 3.22Å |
| 92 | M | 46.6 | Very low | 56.3 | Low | 102 Ų | 102 | 93.1 Ų | 93.1 | 50% | 0.502 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -81.3 | -5.2 | 177 | -72.5 | -73.2 | 107.6 | 0 | 0 | 114.2 | S88 Y96 | S88-M92 WeakPolarHBondContact O-CB 3.33Å; S88-M92 WeakPolarHBondContact O-CG 3.39Å; S88-M92 PolarHBondContact O-N 3.44Å; S88-M92 WeakPolarHBondContact OG-CG 3.31Å; M92-Y96 WeakPolarHBondContact O-CB 2.97Å |
| 93 | H | 47.1 | Very low | 57.8 | Low | 137 Ų | 137 | 100.4 Ų | 100.4 | 63% | 0.634 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -98.8 | -43.4 | 180 | -147.7 | 64.1 | 0 | 0 | 0 | 113.3 | T97 | H93-T97 PolarHBondContact O-OG1 3.49Å |
| 94 | N | 55.2 | Low | 59.7 | Low | 127 Ų | 127 | 97.5 Ų | 97.5 | 68% | 0.679 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.1 | -37.3 | -175.3 | -66.4 | 6.4 | 0 | 0 | 0 | 112.1 | ||
| 95 | N | 57.6 | Low | 61.5 | Low | 54 Ų | 54 | 97.5 Ų | 97.5 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -88.6 | -22.5 | 179.1 | -73.7 | -50.3 | 0 | 0 | 0 | 113.3 | Y91 L99 | Y91-N95 WeakPolarHBondContact CE1-ND2 3.22Å; N95-L99 WeakPolarHBondContact O-CB 3.06Å; N95-L99 PolarHBondContact O-N 3.28Å |
| 96 | Y | 61.9 | Low | 63.4 | Low | 136 Ų | 136 | 93.3 Ų | 93.3 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 178.7 | -174.3 | -99 | 0 | 0 | 0 | 111.8 | M92 L99 L100 | M92-Y96 WeakPolarHBondContact O-CB 2.97Å; Y96-L99 PolarHBondContact O-N 2.96Å; Y96-L100 HydrophobicContact CE1-CD1 3.9Å; Y96-L100 WeakPolarHBondContact O-CA 3.32Å; Y96-L100 WeakPolarHBondContact O-CB 3.38Å; Y96-L100 PolarHBondContact O-N 3.35Å |
| 97 | T | 69.7 | Low | 65.2 | Low | 91 Ų | 91 | 94.7 Ų | 94.7 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | H93 G101 | H93-T97 PolarHBondContact O-OG1 3.49Å; T97-G101 PolarHBondContact O-N 3.27Å |
| 98 | A | 72 | Confident | 67.1 | Low | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | G101 V102 | A98-G101 PolarHBondContact O-N 2.85Å; A98-V102 WeakPolarHBondContact O-CG2 3.03Å; A98-V102 PolarHBondContact O-N 2.88Å |
| 99 | L | 74.3 | Confident | 69.3 | Low | 88 Ų | 88 | 96.9 Ų | 96.9 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.8 | -173.6 | 71.7 | 0 | 0 | 0 | 111.5 | F20 N95 Y96 G101 V102 W103 | F20-L99 HydrophobicContact CE1-CD1 4.42Å; N95-L99 WeakPolarHBondContact O-CB 3.06Å; N95-L99 PolarHBondContact O-N 3.28Å; Y96-L99 PolarHBondContact O-N 2.96Å; L99-G101 VanDerWaalsContact C-N 3.33Å; L99-V102 PolarHBondContact O-N 3.18Å; L99-W103 VanDerWaalsContact O-CB 3.23Å; L99-W103 WeakPolarHBondContact O-CB 3.38Å; L99-W103 PolarHBondContact O-N 3.49Å |
| 100 | L | 76.1 | Confident | 71.3 | Confident | 67 Ų | 67 | 93.4 Ų | 93.4 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 174.5 | -169.1 | 105.9 | 0 | 0 | 0 | 110.3 | Y96 W103 I104 | Y96-L100 HydrophobicContact CE1-CD1 3.9Å; Y96-L100 WeakPolarHBondContact O-CA 3.32Å; Y96-L100 WeakPolarHBondContact O-CB 3.38Å; Y96-L100 PolarHBondContact O-N 3.35Å; L100-W103 PolarHBondContact O-N 3Å; L100-I104 HydrophobicContact CD2-CD1 3.55Å; L100-I104 HydrophobicContact CG-CD1 3.66Å; L100-I104 HydrophobicContact CG-CG1 4.33Å; L100-I104 VanDerWaalsContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CB 3.46Å; L100-I104 WeakPolarHBondContact O-CD1 2.94Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 2.72Å |
| 101 | G | 79.3 | Confident | 73 | Confident | 37 Ų | 37 | 95 Ų | 95 | 38% | 0.381 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T97 A98 L99 W103 I104 Y105 | T97-G101 PolarHBondContact O-N 3.27Å; A98-G101 PolarHBondContact O-N 2.85Å; L99-G101 VanDerWaalsContact C-N 3.33Å; G101-W103 VanDerWaalsContact C-N 3.31Å; G101-W103 PolarHBondContact O-N 3.14Å; G101-I104 PolarHBondContact O-N 3.29Å; G101-Y105 WeakPolarHBondContact O-CB 3.48Å; G101-Y105 PolarHBondContact O-N 3.31Å |
| 102 | V | 81.3 | Confident | 75 | Confident | 100 Ų | 100 | 97 Ų | 97 | 61% | 0.606 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111 | A98 L99 G106 | A98-V102 WeakPolarHBondContact O-CG2 3.03Å; A98-V102 PolarHBondContact O-N 2.88Å; L99-V102 PolarHBondContact O-N 3.18Å; V102-G106 WeakPolarHBondContact O-CA 3.05Å; V102-G106 PolarHBondContact O-N 2.96Å |
| 103 | W | 82.1 | Confident | 77 | Confident | 176 Ų | 176 | 97.2 Ų | 97.2 | 67% | 0.667 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.4 | -46.3 | 179.5 | -167.3 | 76.3 | 0 | 0 | 0 | 112.1 | L99 L100 G101 F107 | L99-W103 VanDerWaalsContact O-CB 3.23Å; L99-W103 WeakPolarHBondContact O-CB 3.38Å; L99-W103 PolarHBondContact O-N 3.49Å; L100-W103 PolarHBondContact O-N 3Å; G101-W103 VanDerWaalsContact C-N 3.31Å; G101-W103 PolarHBondContact O-N 3.14Å; W103-F107 WeakPolarHBondContact O-CB 3.23Å; W103-F107 PolarHBondContact O-N 3.5Å |
| 104 | I | 82.6 | Confident | 78.7 | Confident | 72 Ų | 72 | 93.5 Ų | 93.5 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 176.8 | -70 | 167.2 | 0 | 0 | 0 | 110.1 | L100 G101 F107 F108 | L100-I104 HydrophobicContact CD2-CD1 3.55Å; L100-I104 HydrophobicContact CG-CD1 3.66Å; L100-I104 HydrophobicContact CG-CG1 4.33Å; L100-I104 VanDerWaalsContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CB 3.46Å; L100-I104 WeakPolarHBondContact O-CD1 2.94Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 2.72Å; G101-I104 PolarHBondContact O-N 3.29Å; I104-F107 WeakPolarHBondContact O-CB 2.98Å; I104-F107 PolarHBondContact O-N 3.17Å; I104-F108 HydrophobicContact CG2-CD2 3.75Å; I104-F108 HydrophobicContact CG2-CE2 3.59Å; I104-F108 WeakPolarHBondContact O-CD2 3.5Å; I104-F108 PolarHBondContact O-N 2.04Å |
| 105 | Y | 87.5 | Confident | 80.2 | Confident | 168 Ų | 168 | 92.9 Ų | 92.9 | 66% | 0.659 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 179.1 | 179.8 | -95.6 | 0 | 0 | 0 | 111.7 | G101 F107 F108 V109 | G101-Y105 WeakPolarHBondContact O-CB 3.48Å; G101-Y105 PolarHBondContact O-N 3.31Å; Y105-F107 VanDerWaalsContact C-N 3.29Å; Y105-F107 PolarHBondContact O-N 3.08Å; Y105-F108 PolarHBondContact O-N 3.24Å; Y105-V109 HydrophobicContact CD1-CG2 4.15Å; Y105-V109 HydrophobicContact CE1-CG2 3.7Å; Y105-V109 HydrophobicContact CE2-CG2 4.38Å; Y105-V109 WeakPolarHBondContact O-CG2 3.38Å; Y105-V109 PolarHBondContact O-N 3Å |
| 106 | G | 84.6 | Confident | 81.6 | Confident | 36 Ų | 36 | 95.6 Ų | 95.6 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V102 V109 L110 | V102-G106 WeakPolarHBondContact O-CA 3.05Å; V102-G106 PolarHBondContact O-N 2.96Å; G106-V109 PolarHBondContact O-N 3.19Å; G106-L110 VanDerWaalsContact O-CB 3.31Å; G106-L110 WeakPolarHBondContact O-CB 3.24Å; G106-L110 PolarHBondContact O-N 2.85Å |
| 107 | F | 82.8 | Confident | 82.6 | Confident | 94 Ų | 94 | 92.6 Ų | 92.6 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.2 | 178.4 | -96.3 | 0 | 0 | 0 | 112 | W103 I104 Y105 L110 M111 | W103-F107 WeakPolarHBondContact O-CB 3.23Å; W103-F107 PolarHBondContact O-N 3.5Å; I104-F107 WeakPolarHBondContact O-CB 2.98Å; I104-F107 PolarHBondContact O-N 3.17Å; Y105-F107 VanDerWaalsContact C-N 3.29Å; Y105-F107 PolarHBondContact O-N 3.08Å; F107-L110 PolarHBondContact O-N 3.32Å; F107-M111 HydrophobicContact CD1-CG 4.14Å; F107-M111 HydrophobicContact CD2-CE 4.21Å; F107-M111 HydrophobicContact CE1-CE 4.27Å; F107-M111 HydrophobicContact CE1-CG 3.76Å; F107-M111 HydrophobicContact CE2-CE 3.3Å; F107-M111 HydrophobicContact CE2-CG 4.21Å; F107-M111 HydrophobicContact CZ-CE 3.34Å; F107-M111 HydrophobicContact CZ-CG 3.82Å; F107-M111 HydrophobicContact CZ-SD 4.29Å; F107-M111 WeakPolarHBondContact O-CB 3.2Å; F107-M111 VanDerWaalsContact O-CG 3.31Å; F107-M111 WeakPolarHBondContact O-CG 3.15Å; F107-M111 PolarHBondContact O-N 3.34Å |
| 108 | F | 85.9 | Confident | 83.2 | Confident | 126 Ų | 126 | 92.8 Ų | 92.8 | 55% | 0.553 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 175.9 | -83.8 | -69.1 | 0 | 0 | 0 | 112.3 | I104 Y105 L110 M111 L112 | I104-F108 HydrophobicContact CG2-CD2 3.75Å; I104-F108 HydrophobicContact CG2-CE2 3.59Å; I104-F108 WeakPolarHBondContact O-CD2 3.5Å; I104-F108 PolarHBondContact O-N 2.04Å; Y105-F108 PolarHBondContact O-N 3.24Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3Å; F108-M111 PolarHBondContact O-N 3.45Å; F108-L112 WeakPolarHBondContact O-CG 3.47Å; F108-L112 PolarHBondContact O-N 2.85Å |
| 109 | V | 89.8 | Confident | 83.7 | Confident | 64 Ų | 64 | 97.9 Ų | 97.9 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 111 | Y105 G106 M111 L112 L113 | Y105-V109 HydrophobicContact CD1-CG2 4.15Å; Y105-V109 HydrophobicContact CE1-CG2 3.7Å; Y105-V109 HydrophobicContact CE2-CG2 4.38Å; Y105-V109 WeakPolarHBondContact O-CG2 3.38Å; Y105-V109 PolarHBondContact O-N 3Å; G106-V109 PolarHBondContact O-N 3.19Å; V109-M111 PolarHBondContact O-N 2.83Å; V109-L112 PolarHBondContact O-N 3.29Å; V109-L113 WeakPolarHBondContact O-CB 3.24Å; V109-L113 PolarHBondContact O-N 3.48Å |
| 110 | L | 86.3 | Confident | 84.1 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.7 | -176.9 | 70 | 0 | 0 | 0 | 111.4 | G106 F107 F108 L113 V114 | G106-L110 VanDerWaalsContact O-CB 3.31Å; G106-L110 WeakPolarHBondContact O-CB 3.24Å; G106-L110 PolarHBondContact O-N 2.85Å; F107-L110 PolarHBondContact O-N 3.32Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-V114 WeakPolarHBondContact O-CG2 3.27Å; L110-V114 PolarHBondContact O-N 2.97Å |
| 111 | M | 81.8 | Confident | 84.1 | Confident | 90 Ų | 90 | 97.6 Ų | 97.6 | 44% | 0.443 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 177.7 | -76.6 | -62.2 | 161.6 | 0 | 0 | 112 | F107 F108 V109 L113 V114 L115 | F107-M111 HydrophobicContact CD1-CG 4.14Å; F107-M111 HydrophobicContact CD2-CE 4.21Å; F107-M111 HydrophobicContact CE1-CE 4.27Å; F107-M111 HydrophobicContact CE1-CG 3.76Å; F107-M111 HydrophobicContact CE2-CE 3.3Å; F107-M111 HydrophobicContact CE2-CG 4.21Å; F107-M111 HydrophobicContact CZ-CE 3.34Å; F107-M111 HydrophobicContact CZ-CG 3.82Å; F107-M111 HydrophobicContact CZ-SD 4.29Å; F107-M111 WeakPolarHBondContact O-CB 3.2Å; F107-M111 VanDerWaalsContact O-CG 3.31Å; F107-M111 WeakPolarHBondContact O-CG 3.15Å; F107-M111 PolarHBondContact O-N 3.34Å; F108-M111 PolarHBondContact O-N 3.45Å; V109-M111 PolarHBondContact O-N 2.83Å; M111-L113 VanDerWaalsContact C-N 3.35Å; M111-V114 PolarHBondContact O-N 3.27Å; M111-L115 VanDerWaalsContact O-CB 3.28Å; M111-L115 WeakPolarHBondContact O-CB 3.47Å; M111-L115 PolarHBondContact O-N 3.16Å |
| 112 | L | 90.1 | Very high | 83.9 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -41 | 174.5 | -70.9 | 172.8 | 0 | 0 | 0 | 111.7 | F108 V109 L115 D116 | F108-L112 WeakPolarHBondContact O-CG 3.47Å; F108-L112 PolarHBondContact O-N 2.85Å; V109-L112 PolarHBondContact O-N 3.29Å; L112-L115 PolarHBondContact O-N 3.39Å; L112-D116 VanDerWaalsContact O-CB 3.3Å; L112-D116 WeakPolarHBondContact O-CB 3.29Å; L112-D116 PolarHBondContact O-N 2.88Å |
| 113 | L | 89.1 | Confident | 83.7 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 177.6 | -163.2 | 162.2 | 0 | 0 | 0 | 111.4 | V109 L110 M111 D116 L117 | V109-L113 WeakPolarHBondContact O-CB 3.24Å; V109-L113 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 2.83Å; M111-L113 VanDerWaalsContact C-N 3.35Å; L113-D116 PolarHBondContact O-N 2.8Å; L113-L117 VanDerWaalsContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CB 2.99Å; L113-L117 PolarHBondContact O-N 2.88Å |
| 114 | V | 83.3 | Confident | 83.5 | Confident | 60 Ų | 60 | 95.7 Ų | 95.7 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.1 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L110 M111 L117 L118 | L110-V114 WeakPolarHBondContact O-CG2 3.27Å; L110-V114 PolarHBondContact O-N 2.97Å; M111-V114 PolarHBondContact O-N 3.27Å; V114-L117 PolarHBondContact O-N 2.85Å; V114-L118 HydrophobicContact CG1-CD1 3.81Å; V114-L118 HydrophobicContact CG1-CG 4.22Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.47Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 2.02Å |
| 115 | L | 86.8 | Confident | 82.8 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 179.2 | -166.2 | 69.6 | 0 | 0 | 0 | 111.7 | M111 L112 L118 Y119 | M111-L115 VanDerWaalsContact O-CB 3.28Å; M111-L115 WeakPolarHBondContact O-CB 3.47Å; M111-L115 PolarHBondContact O-N 3.16Å; L112-L115 PolarHBondContact O-N 3.39Å; L115-L118 PolarHBondContact O-N 3.37Å; L115-Y119 VanDerWaalsContact O-CB 3.25Å; L115-Y119 WeakPolarHBondContact O-CB 3.28Å; L115-Y119 PolarHBondContact O-N 3.31Å |
| 116 | D | 86.9 | Confident | 81.6 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 59% | 0.594 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 174.1 | -175.7 | 73.7 | 0 | 0 | 0 | 111.2 | L112 L113 L118 Y119 Y120 | L112-D116 VanDerWaalsContact O-CB 3.3Å; L112-D116 WeakPolarHBondContact O-CB 3.29Å; L112-D116 PolarHBondContact O-N 2.88Å; L113-D116 PolarHBondContact O-N 2.8Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 2.78Å; D116-Y119 PolarHBondContact O-N 2.88Å; D116-Y120 VanDerWaalsContact O-CB 3.31Å; D116-Y120 WeakPolarHBondContact O-CB 3.35Å; D116-Y120 PolarHBondContact O-N 3.3Å |
| 117 | L | 83.3 | Confident | 80.7 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 174.9 | -178.2 | 64.8 | 0 | 0 | 0 | 111.5 | L113 V114 S121 | L113-L117 VanDerWaalsContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CB 2.99Å; L113-L117 PolarHBondContact O-N 2.88Å; V114-L117 PolarHBondContact O-N 2.85Å; L117-S121 WeakPolarHBondContact O-CB 3.15Å; L117-S121 PolarHBondContact O-N 3.49Å; L117-S121 PolarHBondContact O-OG 2.84Å |
| 118 | L | 81 | Confident | 80 | Confident | 94 Ų | 94 | 95 Ų | 95 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 177.3 | -75.9 | 172.7 | 0 | 0 | 0 | 111.3 | V114 L115 D116 S121 A122 | V114-L118 HydrophobicContact CG1-CD1 3.81Å; V114-L118 HydrophobicContact CG1-CG 4.22Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.47Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 2.02Å; L115-L118 PolarHBondContact O-N 3.37Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 2.78Å; L118-S121 WeakPolarHBondContact CA-OG 3.22Å; L118-S121 CarbonylContact O-C 3.59Å; L118-S121 PolarHBondContact O-N 3.39Å; L118-S121 PolarHBondContact O-OG 2.85Å; L118-A122 WeakPolarHBondContact O-CB 3.38Å; L118-A122 PolarHBondContact O-N 3.48Å |
| 119 | Y | 83.8 | Confident | 79.1 | Confident | 167 Ų | 167 | 94.5 Ų | 94.5 | 66% | 0.655 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 177.2 | 179.4 | -101.8 | 0 | 0 | 0 | 111.3 | L115 D116 S121 A122 M123 | L115-Y119 VanDerWaalsContact O-CB 3.25Å; L115-Y119 WeakPolarHBondContact O-CB 3.28Å; L115-Y119 PolarHBondContact O-N 3.31Å; D116-Y119 PolarHBondContact O-N 2.88Å; Y119-S121 VanDerWaalsContact C-N 3.31Å; Y119-S121 PolarHBondContact O-N 2.76Å; Y119-A122 PolarHBondContact O-N 3.39Å; Y119-M123 PolarHBondContact O-N 3.25Å |
| 120 | Y | 82.5 | Confident | 77.9 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 174.4 | -177.7 | -97.5 | 0 | 0 | 0 | 111.8 | D116 A122 M123 N124 | D116-Y120 VanDerWaalsContact O-CB 3.31Å; D116-Y120 WeakPolarHBondContact O-CB 3.35Å; D116-Y120 PolarHBondContact O-N 3.3Å; Y120-A122 VanDerWaalsContact C-N 3.35Å; Y120-M123 PolarHBondContact O-N 2.88Å; Y120-N124 WeakPolarHBondContact CE2-ND2 3.38Å; Y120-N124 WeakPolarHBondContact O-CB 3.5Å; Y120-N124 PolarHBondContact O-N 2.81Å; Y120-N124 PolarHBondContact O-ND2 3.11Å |
| 121 | S | 74.9 | Confident | 76.9 | Confident | 12 Ų | 12 | 99.1 Ų | 99.1 | 8% | 0.084 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -68.1 | -32.1 | 176.9 | 79 | 0 | 0 | 0 | 0 | 113 | L117 L118 Y119 N124 Y125 C128 | L117-S121 WeakPolarHBondContact O-CB 3.15Å; L117-S121 PolarHBondContact O-N 3.49Å; L117-S121 PolarHBondContact O-OG 2.84Å; L118-S121 WeakPolarHBondContact CA-OG 3.22Å; L118-S121 CarbonylContact O-C 3.59Å; L118-S121 PolarHBondContact O-N 3.39Å; L118-S121 PolarHBondContact O-OG 2.85Å; Y119-S121 VanDerWaalsContact C-N 3.31Å; Y119-S121 PolarHBondContact O-N 2.76Å; S121-N124 CarbonylContact O-C 3.58Å; S121-Y125 WeakPolarHBondContact O-CA 3.42Å; S121-Y125 WeakPolarHBondContact O-CB 3Å; S121-Y125 PolarHBondContact O-N 3.24Å; S121-C128 WeakPolarHBondContact CB-SG 3.38Å |
| 122 | A | 76 | Confident | 76.1 | Confident | 72 Ų | 72 | 96.3 Ų | 96.3 | 60% | 0.595 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.2 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L118 Y119 Y120 | L118-A122 WeakPolarHBondContact O-CB 3.38Å; L118-A122 PolarHBondContact O-N 3.48Å; Y119-A122 PolarHBondContact O-N 3.39Å; Y120-A122 VanDerWaalsContact C-N 3.35Å |
| 123 | M | 77.1 | Confident | 74.8 | Confident | 142 Ų | 142 | 93 Ų | 93 | 70% | 0.7 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.5 | -33.1 | 177 | -161.4 | 66.6 | -179.5 | 0 | 0 | 112.6 | Y119 Y120 | Y119-M123 PolarHBondContact O-N 3.25Å; Y120-M123 PolarHBondContact O-N 2.88Å |
| 124 | N | 78.1 | Confident | 73.5 | Confident | 58 Ų | 58 | 97.9 Ų | 97.9 | 31% | 0.31 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 43 | -177.6 | -63.8 | -74.4 | 0 | 0 | 0 | 112.6 | Y120 S121 D126 I127 C128 | Y120-N124 WeakPolarHBondContact CE2-ND2 3.38Å; Y120-N124 WeakPolarHBondContact O-CB 3.5Å; Y120-N124 PolarHBondContact O-N 2.81Å; Y120-N124 PolarHBondContact O-ND2 3.11Å; S121-N124 CarbonylContact O-C 3.58Å; N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 PolarHBondContact O-N 2.88Å; N124-D126 VanDerWaalsContact O-N 3.17Å; N124-I127 PolarHBondContact O-N 3.27Å; N124-I127 VanDerWaalsContact O-N 3.14Å; N124-C128 PolarHBondContact O-N 3.07Å; N124-C128 VanDerWaalsContact O-N 3.1Å |
| 125 | Y | 66.3 | Low | 72.4 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -54.2 | -38.5 | -170.3 | -175.2 | -101.4 | 0 | 0 | 0 | 114.3 | S121 I127 C128 K129 M142 | S121-Y125 WeakPolarHBondContact O-CA 3.42Å; S121-Y125 WeakPolarHBondContact O-CB 3Å; S121-Y125 PolarHBondContact O-N 3.24Å; Y125-I127 VanDerWaalsContact C-N 3.33Å; Y125-I127 PolarHBondContact O-N 3.26Å; Y125-C128 PolarHBondContact O-N 3.41Å; Y125-K129 WeakPolarHBondContact O-CB 3.46Å; Y125-K129 PolarHBondContact O-N 2.8Å; Y125-M142 HydrophobicContact CE2-CE 3.72Å |
| 126 | D | 63.5 | Low | 71 | Confident | 143 Ų | 143 | 99.2 Ų | 99.2 | 77% | 0.765 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -34.8 | -177.5 | -66.8 | -43.9 | 0 | 0 | 0 | 113.1 | N124 | N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 PolarHBondContact O-N 2.88Å; N124-D126 VanDerWaalsContact O-N 3.17Å |
| 127 | I | 65.4 | Low | 69.7 | Low | 108 Ų | 108 | 98.7 Ų | 98.7 | 55% | 0.554 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -82 | -40.7 | 178 | -58.5 | 174.5 | 0 | 0 | 0 | 109.9 | N124 Y125 K129 Y131 | N124-I127 PolarHBondContact O-N 3.27Å; N124-I127 VanDerWaalsContact O-N 3.14Å; Y125-I127 VanDerWaalsContact C-N 3.33Å; Y125-I127 PolarHBondContact O-N 3.26Å; I127-K129 PolarHBondContact O-N 3.47Å; I127-Y131 HydrophobicContact CG2-CE2 4.2Å; I127-Y131 WeakPolarHBondContact O-CD2 3.3Å |
| 128 | C | 67.4 | Low | 68.5 | Low | 15 Ų | 15 | 102.7 Ų | 102.7 | 10% | 0.101 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -74.4 | -24.7 | -173.3 | -151.6 | 0 | 0 | 0 | 0 | 113.3 | S121 N124 Y125 V130 Y131 L132 | S121-C128 WeakPolarHBondContact CB-SG 3.38Å; N124-C128 PolarHBondContact O-N 3.07Å; N124-C128 VanDerWaalsContact O-N 3.1Å; Y125-C128 PolarHBondContact O-N 3.41Å; C128-V130 PolarHBondContact O-N 3.03Å; C128-Y131 PolarHBondContact O-N 2.01Å; C128-Y131 VanDerWaalsContact O-N 3.09Å; C128-L132 HydrophobicContact CB-CD1 4.36Å; C128-L132 WeakPolarHBondContact O-CB 3.38Å; C128-L132 WeakPolarHBondContact O-CG 2.88Å; C128-L132 PolarHBondContact O-N 3.44Å |
| 129 | K | 68.1 | Low | 67.1 | Low | 116 Ų | 116 | 99.6 Ų | 99.6 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -54.5 | -36.7 | 177.8 | -176.6 | 179.2 | 177.6 | -178.7 | 0 | 113.4 | Y125 I127 A133 | Y125-K129 WeakPolarHBondContact O-CB 3.46Å; Y125-K129 PolarHBondContact O-N 2.8Å; I127-K129 PolarHBondContact O-N 3.47Å; K129-A133 WeakPolarHBondContact O-CB 3.4Å; K129-A133 PolarHBondContact O-N 3.34Å |
| 130 | V | 63.7 | Low | 65.6 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 62% | 0.624 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.6 | -40.3 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | C128 R134 | C128-V130 PolarHBondContact O-N 3.03Å; V130-R134 WeakPolarHBondContact O-CB 3.5Å; V130-R134 PolarHBondContact O-N 3.25Å; V130-R134 VanDerWaalsContact O-N 3.11Å |
| 131 | Y | 66.2 | Low | 64.2 | Low | 156 Ų | 156 | 106.2 Ų | 106.2 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.2 | -43.3 | 178.4 | -67.1 | -77.8 | 0 | 0 | 0 | 112 | I127 C128 R134 W135 | I127-Y131 HydrophobicContact CG2-CE2 4.2Å; I127-Y131 WeakPolarHBondContact O-CD2 3.3Å; C128-Y131 PolarHBondContact O-N 2.01Å; C128-Y131 VanDerWaalsContact O-N 3.09Å; Y131-R134 PolarHBondContact O-N 3.28Å; Y131-W135 PolarHBondContact O-N 3.34Å |
| 132 | L | 65.4 | Low | 63.1 | Low | 30 Ų | 30 | 108.4 Ų | 108.4 | 16% | 0.157 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 176.1 | -70.8 | 168.8 | 0 | 0 | 0 | 112.2 | C128 R134 W135 G136 I137 M142 | C128-L132 HydrophobicContact CB-CD1 4.36Å; C128-L132 WeakPolarHBondContact O-CB 3.38Å; C128-L132 WeakPolarHBondContact O-CG 2.88Å; C128-L132 PolarHBondContact O-N 3.44Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 2.87Å; L132-W135 PolarHBondContact O-N 2.83Å; L132-G136 PolarHBondContact O-N 3.29Å; L132-I137 PolarHBondContact O-N 2.8Å; L132-M142 HydrophobicContact CB-CE 4.21Å; L132-M142 HydrophobicContact CD1-CE 3.7Å |
| 133 | A | 61.2 | Low | 62 | Low | 47 Ų | 47 | 114 Ų | 114 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K129 G136 | K129-A133 WeakPolarHBondContact O-CB 3.4Å; K129-A133 PolarHBondContact O-N 3.34Å; A133-G136 PolarHBondContact O-N 3.46Å |
| 134 | R | 62.5 | Low | 60.6 | Low | 207 Ų | 207 | 113.1 Ų | 113.1 | 78% | 0.781 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.5 | -30 | 177.4 | -170.2 | 171.8 | -179.7 | 168 | -0.4 | 112.8 | V130 Y131 L132 G136 | V130-R134 WeakPolarHBondContact O-CB 3.5Å; V130-R134 PolarHBondContact O-N 3.25Å; V130-R134 VanDerWaalsContact O-N 3.11Å; Y131-R134 PolarHBondContact O-N 3.28Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 2.87Å; R134-G136 PolarHBondContact O-N 3.5Å |
| 135 | W | 59.6 | Low | 59.2 | Low | 171 Ų | 171 | 116.4 Ų | 116.4 | 65% | 0.648 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.6 | 173.1 | -85.4 | 18.9 | 0 | 0 | 0 | 114.2 | Y131 L132 I137 | Y131-W135 PolarHBondContact O-N 3.34Å; L132-W135 PolarHBondContact O-N 2.83Å; W135-I137 PolarHBondContact O-N 3.38Å |
| 136 | G | 58 | Low | 58.4 | Low | 30 Ų | 30 | 118.1 Ų | 118.1 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 76.5 | 7.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L132 A133 R134 Q138 | L132-G136 PolarHBondContact O-N 3.29Å; A133-G136 PolarHBondContact O-N 3.46Å; R134-G136 PolarHBondContact O-N 3.5Å; G136-Q138 PolarHBondContact O-N 3.4Å |
| 137 | I | 59.3 | Low | 57.6 | Low | 101 Ų | 101 | 122.4 Ų | 122.4 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | trans | -78.3 | 64.8 | 168.3 | -49.4 | 176.3 | 0 | 0 | 0 | 107.4 | L132 W135 G139 | L132-I137 PolarHBondContact O-N 2.8Å; W135-I137 PolarHBondContact O-N 3.38Å; I137-G139 PolarHBondContact O-N 3.27Å | ||
| 138 | Q | 57.8 | Low | 56.7 | Low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 59% | 0.585 | S | S | * | * | trans | -73 | 69.2 | 164.4 | -86.2 | -87.6 | -26.3 | 0 | 0 | 107.4 | G136 R140 | G136-Q138 PolarHBondContact O-N 3.4Å; Q138-R140 PolarHBondContact O-N 2.65Å; Q138-R140 VanDerWaalsContact O-N 3.17Å | ||
| 139 | G | 52.9 | Low | 55.8 | Low | 28 Ų | 28 | 139.2 Ų | 139.2 | 29% | 0.289 | 62% | 0.624 | S | S | . | * | trans | -62.8 | 118.4 | 175 | 0 | 0 | 0 | 0 | 0 | 108.5 | I137 W141 M142 | I137-G139 PolarHBondContact O-N 3.27Å; G139-W141 PolarHBondContact O-N 3.22Å; G139-M142 WeakPolarHBondContact O-CB 2.81Å; G139-M142 PolarHBondContact O-N 3.29Å | ||
| 140 | R | 51.8 | Low | 54.5 | Low | 241 Ų | 241 | 136.3 Ų | 136.3 | 91% | 0.909 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -48 | -21.6 | 160.3 | -108.4 | -177.7 | -163.5 | -135.8 | 5 | 112.3 | Q138 M142 K143 | Q138-R140 PolarHBondContact O-N 2.65Å; Q138-R140 VanDerWaalsContact O-N 3.17Å; R140-M142 VanDerWaalsContact C-N 3.35Å; R140-K143 PolarHBondContact O-N 3.18Å |
| 141 | W | 53.7 | Low | 53.3 | Low | 203 Ų | 203 | 137.6 Ų | 137.6 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -68.7 | -21.9 | 174 | -166.2 | 80.7 | 0 | 0 | 0 | 114.7 | G139 K143 | G139-W141 PolarHBondContact O-N 3.22Å; W141-K143 VanDerWaalsContact C-N 3.28Å; W141-K143 PolarHBondContact O-N 2.89Å |
| 142 | M | 51.3 | Low | 52.2 | Low | 58 Ų | 58 | 137.1 Ų | 137.1 | 29% | 0.286 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -75.1 | -13.5 | 174.6 | -85 | -178.5 | 146.7 | 0 | 0 | 113.5 | Y125 L132 G139 R140 Q144 | Y125-M142 HydrophobicContact CE2-CE 3.72Å; L132-M142 HydrophobicContact CB-CE 4.21Å; L132-M142 HydrophobicContact CD1-CE 3.7Å; G139-M142 WeakPolarHBondContact O-CB 2.81Å; G139-M142 PolarHBondContact O-N 3.29Å; R140-M142 VanDerWaalsContact C-N 3.35Å; M142-Q144 PolarHBondContact O-N 2.88Å |
| 143 | K | 52.2 | Low | 51.2 | Low | 188 Ų | 188 | 139.9 Ų | 139.9 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | trans | -79.6 | 62.8 | 164.6 | -73.2 | -167 | 178.4 | -172.4 | 0 | 109.1 | R140 W141 D145 | R140-K143 PolarHBondContact O-N 3.18Å; W141-K143 VanDerWaalsContact C-N 3.28Å; W141-K143 PolarHBondContact O-N 2.89Å; K143-D145 PolarHBondContact O-N 2.65Å | ||
| 144 | Q | 48.3 | Very low | 50.4 | Low | 124 Ų | 124 | 148.6 Ų | 148.6 | 58% | 0.579 | 70% | 0.696 | S | S | * | * | trans | -76.6 | 114.3 | 157.4 | -77.2 | -172.8 | -8.3 | 0 | 0 | 106.8 | M142 P146 | M142-Q144 PolarHBondContact O-N 2.88Å; Q144-P146 WeakPolarHBondContact O-CD 3.1Å | ||
| 145 | D | 48.2 | Very low | 49.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | trans | -49.6 | 122.7 | 166.8 | -83 | -54.5 | 0 | 0 | 0 | 108.6 | K143 R147 R148 | K143-D145 PolarHBondContact O-N 2.65Å; D145-R147 PolarHBondContact O-N 3.4Å; D145-R148 PolarHBondContact O-N 3.22Å | ||
| 146 | P | 49.5 | Very low | 48.3 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -5.2 | 177.8 | -23.3 | 32.1 | 0 | 0 | 0 | 114.1 | Q144 | Q144-P146 WeakPolarHBondContact O-CD 3.1Š|
| 147 | R | 47.9 | Very low | 47.3 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -18.9 | -175.9 | -67.4 | -83.6 | -162.8 | 159.2 | 3.9 | 114.2 | D145 | D145-R147 PolarHBondContact O-N 3.4Š|
| 148 | R | 46.9 | Very low | 46.4 | Very low | 233 Ų | 233 | 152.1 Ų | 152.1 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -95.3 | -15 | -171.1 | -156.7 | 173.7 | -177.9 | -162.6 | 0.1 | 115.1 | D145 | D145-R148 PolarHBondContact O-N 3.22Š|
| 149 | W | 47.3 | Very low | 45.9 | Very low | 243 Ų | 243 | 147.5 Ų | 147.5 | 92% | 0.92 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -118.4 | 40.1 | 178 | -143.4 | -85.9 | 0 | 0 | 0 | 112.5 | ||
| 150 | G | 40.9 | Very low | 45 | Very low | 54 Ų | 54 | 155.3 Ų | 155.3 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | trans | -97.4 | 103.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 151 | N | 38.5 | Very low | 44.1 | Very low | 131 Ų | 131 | 155.2 Ų | 155.2 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 62 | 113.5 | 153.6 | -65.6 | -54.1 | 0 | 0 | 0 | 119.2 | A153 | N151-A153 PolarHBondContact O-N 2.82Å; N151-A153 VanDerWaalsContact O-N 3.1Å | ||
| 152 | P | 43.9 | Very low | 43.4 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 2.2 | 160.1 | 28.2 | -32.3 | 0 | 0 | 0 | 113.7 | ||
| 153 | A | 44 | Very low | 42.7 | Very low | 88 Ų | 88 | 153.6 Ų | 153.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 18.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | N151 | N151-A153 PolarHBondContact O-N 2.82Å; N151-A153 VanDerWaalsContact O-N 3.1Å |
| 154 | R | 44.5 | Very low | 41.9 | Very low | 230 Ų | 230 | 153.5 Ų | 153.5 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -136.9 | 73.7 | 174 | -145 | 166.9 | -166.8 | 143.1 | 0.7 | 112.3 | ||||
| 155 | A | 37.8 | Very low | 41.5 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R157 | A155-R157 PolarHBondContact O-N 3.05Š|
| 156 | P | 39 | Very low | 40.8 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 120.1 | 173.2 | -10.5 | 25.6 | 0 | 0 | 0 | 109.1 | P158 | P156-P158 WeakPolarHBondContact O-CD 3.3Š|
| 157 | R | 38.1 | Very low | 40.3 | Very low | 240 Ų | 240 | 155.7 Ų | 155.7 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 123.6 | 158.6 | -90.8 | -178 | 168 | 155.6 | -2.9 | 107.5 | A155 G159 | A155-R157 PolarHBondContact O-N 3.05Å; R157-G159 PolarHBondContact O-N 3.11Å |
| 158 | P | 39.7 | Very low | 39.6 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -77.2 | 106.9 | 175.1 | 29.5 | -28.9 | 0 | 0 | 0 | 108.2 | P156 | P156-P158 WeakPolarHBondContact O-CD 3.3Š|
| 159 | G | 46.4 | Very low | 39.5 | Very low | 60 Ų | 60 | 145.3 Ų | 145.3 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | trans | 154.8 | 69.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R157 | R157-G159 PolarHBondContact O-N 3.11Š| ||
| 160 | Q | 34.3 | Very low | 38.6 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -147.4 | 111.2 | 153.9 | -147.9 | 93.8 | 14 | 0 | 0 | 108.5 | ||||
| 161 | R | 33 | Very low | 38.5 | Very low | 240 Ų | 240 | 141 Ų | 141 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 138.7 | 174.5 | -75 | 175.7 | -175.4 | 137.4 | 1.8 | 110.4 | P163 | R161-P163 WeakPolarHBondContact O-CD 3.3Š|
| 162 | A | 39.3 | Very low | 38.3 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 137.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 163 | P | 37.2 | Very low | 38.3 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 126.6 | 160.5 | -4.1 | 24.6 | 0 | 0 | 0 | 110.8 | R161 | R161-P163 WeakPolarHBondContact O-CD 3.3Š|
| 164 | Q | 35.5 | Very low | 37.5 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 152.7 | 171.5 | -166.9 | 170 | -4.9 | 0 | 0 | 111.8 | ||
| 165 | P | 38.5 | Very low | 36.6 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 136.2 | -172.9 | 32.9 | -30.8 | 0 | 0 | 0 | 113.3 | ||
| 166 | Q | 33.8 | Very low | 36.9 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -160.3 | 149.6 | 147.9 | -114.5 | 178 | -16 | 0 | 0 | 112.9 | ||||
| 167 | P | 40.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | trans | -110.5 | 152.7 | -169.1 | 38.1 | -27 | 0 | 0 | 0 | 114.7 | ||||
| 168 | S | 32.8 | Very low | 36.2 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 148 | 151 | 130.4 | -64.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 169 | P | 43.3 | Very low | 35.9 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -99 | 152.2 | -162 | 37.2 | -31.3 | 0 | 0 | 0 | 114.5 | ||||
| 170 | G | 28.6 | Very low | 35.4 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -161.9 | 154.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 171 | P | 39.5 | Very low | 35.3 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -92.2 | 156.1 | -162.3 | 2.7 | 18.7 | 0 | 0 | 0 | 114.8 | ||||
| 172 | L | 33.8 | Very low | 35.5 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -35.3 | 159.4 | 167.8 | -91.1 | 134.9 | 0 | 0 | 0 | 115.6 | ||||
| 173 | P | 43.7 | Very low | 35 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | -155.1 | -178.4 | 53.3 | 33.6 | -7.4 | 0 | 0 | 0 | 119.4 | |||||
| 174 | Q | 28.2 | Very low | 34.8 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 99.5 | 132.3 | 153.2 | -86.9 | 149.8 | -52.3 | 0 | 0 | 122.6 | ||||
| 175 | A | 26.3 | Very low | 34.6 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -83.5 | -159.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 176 | P | 44.2 | Very low | 34.2 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -135 | -176.9 | -17.7 | 31.5 | -8.8 | 0 | 0 | 0 | 113.8 | ||||
| 177 | Q | 30.1 | Very low | 34.2 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 127 | 153.2 | 141.6 | -67.9 | -103.8 | -36.4 | 0 | 0 | 119.4 | ||||
| 178 | A | 31.7 | Very low | 34 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | 79 | 88.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 179 | V | 32.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | 46.2 | 99.5 | 68.6 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 180 | H | 36.3 | Very low | 35.4 | Very low | 186 Ų | 186 | 132.2 Ų | 132.2 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -154.6 | 122.7 | 134.2 | -83.4 | -34.9 | 0 | 0 | 0 | 112.1 | ||||
| 181 | T | 32.1 | Very low | 36 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -47.7 | 142.3 | 166.5 | 40.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 182 | L | 37.1 | Very low | 36 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | 175 | 107.4 | 124.4 | -120.5 | 83.5 | 0 | 0 | 0 | 108.7 | |||||
| 183 | R | 29.6 | Very low | 36.2 | Very low | 239 Ų | 239 | 135.5 Ų | 135.5 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | 65 | 117.5 | 89.9 | -161.5 | 177.3 | -168.2 | -175 | 3.3 | 114.5 | |||||
| 184 | G | 32.3 | Very low | 36 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 166.2 | 97.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 185 | D | 31.2 | Very low | 36.5 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -73.6 | 157.6 | -173.5 | -78.6 | -61.9 | 0 | 0 | 0 | 116.7 | ||||
| 186 | A | 29.8 | Very low | 37.1 | Very low | 69 Ų | 69 | 140 Ų | 140 | 57% | 0.57 | 78% | 0.782 | S | S | * | * | trans | 78.3 | 122.6 | 138.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 187 | H | 34.3 | Very low | 37.1 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | 165 | 131.8 | 98.8 | -81.3 | 89.1 | 0 | 0 | 0 | 111.1 | |||||
| 188 | S | 36.2 | Very low | 37.8 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -107.2 | -177.1 | 162.1 | -59.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 189 | P | 57.1 | Low | 38.2 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | -108.6 | -161.4 | -84.4 | 36.6 | -17.9 | 0 | 0 | 0 | 111.2 | |||||
| 190 | P | 48.9 | Very low | 38.4 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | -153.8 | 170.6 | 85.5 | 37.7 | -16.2 | 0 | 0 | 0 | 117.8 | |||||
| 191 | L | 41 | Very low | 38.6 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | trans | -42.2 | 145.6 | 160.7 | -100.3 | 74.7 | 0 | 0 | 0 | 114.3 | ||||
| 192 | M | 39.7 | Very low | 38.9 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 95% | 0.951 | 84% | 0.836 | S | S | * | * | trans | -146.7 | 145.9 | 140.6 | -86.1 | -56.4 | 171.5 | 0 | 0 | 111.4 | ||||
| 193 | T | 38.3 | Very low | 39 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 60% | 0.601 | 84% | 0.835 | S | S | * | * | trans | -119.8 | 159.1 | -164.8 | -28.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 194 | F | 38.2 | Very low | 39.6 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | 70.6 | 148.6 | 167 | -74.5 | -81.5 | 0 | 0 | 0 | 116.7 | ||||
| 195 | Q | 38.4 | Very low | 40.1 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | cis | -163 | 140.2 | 29.1 | -145.5 | 176.3 | 20.2 | 0 | 0 | 110.4 | ||||
| 196 | S | 40.9 | Very low | 40.7 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -77 | 138.4 | 159.1 | -74.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 197 | S | 42.9 | Very low | 41.6 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 86% | 0.856 | S | S | * | * | trans | -154 | 123.1 | 152 | -104.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 198 | S | 44.2 | Very low | 42.2 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | trans | -96.4 | 140 | 166.3 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 199 | A | 40.4 | Very low | 42.7 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 100% | 1.479 | 86% | 0.861 | S | S | * | * | trans | -154.8 | 0 | 148.3 | 0 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 199 of 199 residues in 30.5 ms
(Link to these results)