| 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 | 69.4 | Low | 79.6 | Confident | 187 Ų | 187 | 101.6 Ų | 101.6 | 92% | 0.921 | 58% | 0.582 | S | S | * | * | 0 | -58 | 0 | -61 | -54 | -86.3 | 0 | 0 | 112.6 | A3 L4 L5 | M1-A3 PolarHBondContact O-N 3.01Å; M1-L4 PolarHBondContact O-N 3.11Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.08Å | |||
| 2 | A | 79 | Confident | 79.7 | Confident | 73 Ų | 73 | 99.6 Ų | 99.6 | 60% | 0.603 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.3 | -44.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L4 L5 V6 | A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.27Å; A2-L5 PolarHBondContact O-N 3.07Å; A2-V6 WeakPolarHBondContact O-CG2 3.49Å; A2-V6 PolarHBondContact O-N 3.16Å |
| 3 | A | 78.7 | Confident | 79.7 | Confident | 68 Ų | 68 | 97.9 Ų | 97.9 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.9 | -32.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | M1 R7 | M1-A3 PolarHBondContact O-N 3.01Å; A3-R7 WeakPolarHBondContact O-CB 3.33Å; A3-R7 WeakPolarHBondContact O-CG 3.28Å; A3-R7 PolarHBondContact O-N 3.08Å; A3-R7 VanDerWaalsContact O-N 3.08Å |
| 4 | L | 80.7 | Confident | 79.7 | Confident | 116 Ų | 116 | 95.5 Ų | 95.5 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.5 | -41.3 | 176.9 | -66.4 | 176.6 | 0 | 0 | 0 | 110.9 | M1 A2 R7 S8 | M1-L4 PolarHBondContact O-N 3.11Å; M1-L4 VanDerWaalsContact O-N 3.14Å; A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.27Å; L4-R7 PolarHBondContact O-N 3.42Å; L4-S8 PolarHBondContact O-N 3.39Å; L4-S8 PolarHBondContact O-OG 3.11Å |
| 5 | L | 81.3 | Confident | 79.2 | Confident | 118 Ų | 118 | 95.2 Ų | 95.2 | 62% | 0.618 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.9 | -48.2 | 175.5 | -63.5 | 177.7 | 0 | 0 | 0 | 110.8 | M1 A2 R7 S8 V9 | M1-L5 PolarHBondContact O-N 3.08Å; A2-L5 PolarHBondContact O-N 3.07Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.97Å; L5-S8 WeakPolarHBondContact CA-OG 3.38Å; L5-S8 PolarHBondContact O-N 3.34Å; L5-S8 VanDerWaalsContact O-N 3.16Å; L5-S8 PolarHBondContact O-OG 2.84Å; L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 3.02Å |
| 6 | V | 82.4 | Confident | 78.7 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 56% | 0.564 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.6 | -46.6 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | A2 S8 V9 V10 | A2-V6 WeakPolarHBondContact O-CG2 3.49Å; A2-V6 PolarHBondContact O-N 3.16Å; V6-S8 PolarHBondContact O-N 2.79Å; V6-V9 PolarHBondContact O-N 2.89Å; V6-V10 HydrophobicContact CG1-CG2 4.43Å; V6-V10 VanDerWaalsContact O-CG2 3.3Å; V6-V10 WeakPolarHBondContact O-CG2 2.97Å; V6-V10 PolarHBondContact O-N 3.23Å |
| 7 | R | 79.8 | Confident | 77.9 | Confident | 188 Ų | 188 | 96.1 Ų | 96.1 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.6 | -42.8 | 177 | -76.9 | 178.6 | 175.6 | -177.1 | -0.8 | 112.6 | A3 L4 L5 V10 A11 | A3-R7 WeakPolarHBondContact O-CB 3.33Å; A3-R7 WeakPolarHBondContact O-CG 3.28Å; A3-R7 PolarHBondContact O-N 3.08Å; A3-R7 VanDerWaalsContact O-N 3.08Å; L4-R7 PolarHBondContact O-N 3.42Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.97Å; R7-V10 PolarHBondContact O-N 2.87Å; R7-A11 WeakPolarHBondContact O-CB 3.4Å; R7-A11 PolarHBondContact O-N 2.86Å |
| 8 | S | 78.5 | Confident | 77.1 | Confident | 65 Ų | 65 | 95.8 Ų | 95.8 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 179.2 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | L4 L5 V6 A11 S12 | L4-S8 PolarHBondContact O-N 3.39Å; L4-S8 PolarHBondContact O-OG 3.11Å; L5-S8 WeakPolarHBondContact CA-OG 3.38Å; L5-S8 PolarHBondContact O-N 3.34Å; L5-S8 VanDerWaalsContact O-N 3.16Å; L5-S8 PolarHBondContact O-OG 2.84Å; V6-S8 PolarHBondContact O-N 2.79Å; S8-A11 PolarHBondContact O-N 2.96Å; S8-S12 WeakPolarHBondContact O-CB 3.41Å; S8-S12 PolarHBondContact O-N 3.35Å; S8-S12 PolarHBondContact O-OG 3.11Å |
| 9 | V | 84 | Confident | 76.4 | Confident | 86 Ų | 86 | 97.5 Ų | 97.5 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | L5 V6 A11 S12 V13 | L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 3.02Å; V6-V9 PolarHBondContact O-N 2.89Å; V9-A11 PolarHBondContact O-N 3.16Å; V9-S12 PolarHBondContact O-N 3.44Å; V9-S12 PolarHBondContact O-OG 3.19Å; V9-V13 WeakPolarHBondContact O-CG2 3.47Å; V9-V13 PolarHBondContact O-N 3.28Å; V9-V13 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 83.1 | Confident | 75.6 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.8 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | V6 R7 S12 V13 V14 | V6-V10 HydrophobicContact CG1-CG2 4.43Å; V6-V10 VanDerWaalsContact O-CG2 3.3Å; V6-V10 WeakPolarHBondContact O-CG2 2.97Å; V6-V10 PolarHBondContact O-N 3.23Å; R7-V10 PolarHBondContact O-N 2.87Å; V10-S12 PolarHBondContact O-N 2.74Å; V10-V13 PolarHBondContact O-N 3.46Å; V10-V14 HydrophobicContact CG1-CG2 4.04Å; V10-V14 WeakPolarHBondContact O-CB 3.26Å; V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 3.44Å |
| 11 | A | 78.5 | Confident | 75 | Confident | 42 Ų | 42 | 96.4 Ų | 96.4 | 35% | 0.347 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | R7 S8 V9 V13 V14 D15 | R7-A11 WeakPolarHBondContact O-CB 3.4Å; R7-A11 PolarHBondContact O-N 2.86Å; S8-A11 PolarHBondContact O-N 2.96Å; V9-A11 PolarHBondContact O-N 3.16Å; A11-V13 PolarHBondContact O-N 3.28Å; A11-V14 PolarHBondContact O-N 2.96Å; A11-D15 WeakPolarHBondContact O-CB 3.26Å; A11-D15 VanDerWaalsContact O-CG 3.22Å; A11-D15 PolarHBondContact O-N 2.99Å; A11-D15 VanDerWaalsContact O-OD2 3.12Å |
| 12 | S | 80.9 | Confident | 74.4 | Confident | 77 Ų | 77 | 96.7 Ų | 96.7 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -29.1 | -179.3 | 72.2 | 0 | 0 | 0 | 0 | 114.2 | S8 V9 V10 P16 | S8-S12 WeakPolarHBondContact O-CB 3.41Å; S8-S12 PolarHBondContact O-N 3.35Å; S8-S12 PolarHBondContact O-OG 3.11Å; V9-S12 PolarHBondContact O-N 3.44Å; V9-S12 PolarHBondContact O-OG 3.19Å; V10-S12 PolarHBondContact O-N 2.74Å; S12-P16 VanDerWaalsContact O-CD 3.22Å; S12-P16 WeakPolarHBondContact O-CD 3.37Å; S12-P16 WeakPolarHBondContact O-CG 3.36Å |
| 13 | V | 80.2 | Confident | 73.4 | Confident | 78 Ų | 78 | 99.7 Ų | 99.7 | 47% | 0.473 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -84.5 | -40.8 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | V9 V10 A11 F17 | V9-V13 WeakPolarHBondContact O-CG2 3.47Å; V9-V13 PolarHBondContact O-N 3.28Å; V9-V13 VanDerWaalsContact O-N 3.11Å; V10-V13 PolarHBondContact O-N 3.46Å; A11-V13 PolarHBondContact O-N 3.28Å; V13-F17 HydrophobicContact CG1-CE2 4.09Å; V13-F17 WeakPolarHBondContact O-CD2 3.22Å; V13-F17 VanDerWaalsContact O-CE2 3.28Å; V13-F17 WeakPolarHBondContact O-CE2 3.4Å |
| 14 | V | 79.9 | Confident | 72.4 | Confident | 64 Ų | 64 | 100.1 Ų | 100.1 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -81.8 | -36.7 | -171.5 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | V10 A11 F17 L18 | V10-V14 HydrophobicContact CG1-CG2 4.04Å; V10-V14 WeakPolarHBondContact O-CB 3.26Å; V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 3.44Å; A11-V14 PolarHBondContact O-N 2.96Å; V14-F17 PolarHBondContact O-N 3.34Å; V14-F17 VanDerWaalsContact O-N 3.16Å; V14-L18 HydrophobicContact CG1-CD1 3.99Å; V14-L18 HydrophobicContact CG1-CG 4.12Å; V14-L18 PolarHBondContact O-N 3.14Å; V14-L18 VanDerWaalsContact O-N 3.14Å |
| 15 | D | 71.8 | Confident | 71.3 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | -176.1 | -70.9 | -31.6 | 0 | 0 | 0 | 114.1 | A11 F17 L18 H19 | A11-D15 WeakPolarHBondContact O-CB 3.26Å; A11-D15 VanDerWaalsContact O-CG 3.22Å; A11-D15 PolarHBondContact O-N 2.99Å; A11-D15 VanDerWaalsContact O-OD2 3.12Å; D15-F17 VanDerWaalsContact C-N 3.34Å; D15-F17 PolarHBondContact O-N 3.04Å; D15-L18 PolarHBondContact O-N 3.22Å; D15-H19 PolarHBondContact O-N 3.4Å |
| 16 | P | 70.6 | Confident | 70 | Confident | 69 Ų | 69 | 102.5 Ų | 102.5 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -38.2 | 175.2 | -24.6 | 34.9 | 0 | 0 | 0 | 113.6 | S12 H19 L20 | S12-P16 VanDerWaalsContact O-CD 3.22Å; S12-P16 WeakPolarHBondContact O-CD 3.37Å; S12-P16 WeakPolarHBondContact O-CG 3.36Å; P16-H19 PolarHBondContact O-N 3.16Å; P16-L20 WeakPolarHBondContact O-CG 3.46Å; P16-L20 PolarHBondContact O-N 2.99Å |
| 17 | F | 66.1 | Low | 68.5 | Low | 137 Ų | 137 | 103.7 Ų | 103.7 | 60% | 0.601 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.1 | -37 | 178.5 | -68.2 | -69.7 | 0 | 0 | 0 | 111.9 | V13 V14 D15 H19 L20 S21 | V13-F17 HydrophobicContact CG1-CE2 4.09Å; V13-F17 WeakPolarHBondContact O-CD2 3.22Å; V13-F17 VanDerWaalsContact O-CE2 3.28Å; V13-F17 WeakPolarHBondContact O-CE2 3.4Å; V14-F17 PolarHBondContact O-N 3.34Å; V14-F17 VanDerWaalsContact O-N 3.16Å; D15-F17 VanDerWaalsContact C-N 3.34Å; D15-F17 PolarHBondContact O-N 3.04Å; F17-H19 VanDerWaalsContact C-N 3.33Å; F17-L20 PolarHBondContact O-N 3.3Å; F17-S21 PolarHBondContact O-N 3.14Å |
| 18 | L | 63.3 | Low | 67.3 | Low | 90 Ų | 90 | 106.4 Ų | 106.4 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.3 | -32.6 | 175.1 | -64.2 | 179.7 | 0 | 0 | 0 | 112.2 | V14 D15 S21 R22 | V14-L18 HydrophobicContact CG1-CD1 3.99Å; V14-L18 HydrophobicContact CG1-CG 4.12Å; V14-L18 PolarHBondContact O-N 3.14Å; V14-L18 VanDerWaalsContact O-N 3.14Å; D15-L18 PolarHBondContact O-N 3.22Å; L18-S21 PolarHBondContact O-OG 2.87Å; L18-R22 WeakPolarHBondContact O-CG 3.42Å; L18-R22 PolarHBondContact O-N 3.05Å |
| 19 | H | 63.4 | Low | 65.7 | Low | 128 Ų | 128 | 109 Ų | 109 | 59% | 0.593 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.7 | -41.1 | 173.2 | -113.6 | -80.3 | 0 | 0 | 0 | 112.2 | D15 P16 F17 R22 L23 | D15-H19 PolarHBondContact O-N 3.4Å; P16-H19 PolarHBondContact O-N 3.16Å; F17-H19 VanDerWaalsContact C-N 3.33Å; H19-R22 PolarHBondContact O-N 3.38Å; H19-L23 WeakPolarHBondContact O-CG 3.17Å; H19-L23 PolarHBondContact O-N 3.22Å; H19-L23 VanDerWaalsContact O-N 3.14Å |
| 20 | L | 60.6 | Low | 63.8 | Low | 112 Ų | 112 | 114.3 Ų | 114.3 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.3 | -40 | 175.5 | -76.9 | 162.9 | 0 | 0 | 0 | 112.1 | P16 F17 L23 A24 | P16-L20 WeakPolarHBondContact O-CG 3.46Å; P16-L20 PolarHBondContact O-N 2.99Å; F17-L20 PolarHBondContact O-N 3.3Å; L20-L23 PolarHBondContact O-N 2.95Å; L20-A24 PolarHBondContact O-N 2.93Å |
| 21 | S | 62.3 | Low | 62.1 | Low | 61 Ų | 61 | 115.5 Ų | 115.5 | 43% | 0.427 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.3 | -39.4 | 177.2 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | F17 L18 L23 A24 V25 | F17-S21 PolarHBondContact O-N 3.14Å; L18-S21 PolarHBondContact O-OG 2.87Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.97Å; S21-A24 WeakPolarHBondContact O-CB 3.37Å; S21-A24 PolarHBondContact O-N 2.85Å; S21-A24 VanDerWaalsContact O-N 3.16Å; S21-V25 PolarHBondContact O-N 3.27Å; S21-V25 VanDerWaalsContact O-N 3.11Å |
| 22 | R | 57.3 | Low | 60.5 | Low | 192 Ų | 192 | 118 Ų | 118 | 73% | 0.725 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.5 | -36.4 | 174.8 | -74.3 | 179.9 | -172.6 | -125.7 | 4.4 | 112.8 | L18 H19 A24 V25 | L18-R22 WeakPolarHBondContact O-CG 3.42Å; L18-R22 PolarHBondContact O-N 3.05Å; H19-R22 PolarHBondContact O-N 3.38Å; R22-A24 VanDerWaalsContact C-N 3.34Å; R22-V25 PolarHBondContact O-N 3.28Å |
| 23 | L | 57.8 | Low | 58.9 | Low | 136 Ų | 136 | 123.9 Ų | 123.9 | 71% | 0.712 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.8 | -26.7 | 175 | -64.8 | 175.9 | 0 | 0 | 0 | 112.6 | H19 L20 S21 V25 | H19-L23 WeakPolarHBondContact O-CG 3.17Å; H19-L23 PolarHBondContact O-N 3.22Å; H19-L23 VanDerWaalsContact O-N 3.14Å; L20-L23 PolarHBondContact O-N 2.95Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.97Å; L23-V25 VanDerWaalsContact C-N 3.32Å |
| 24 | A | 58.2 | Low | 57.2 | Low | 78 Ų | 78 | 127.8 Ų | 127.8 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.2 | -24.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L20 S21 R22 K26 | L20-A24 PolarHBondContact O-N 2.93Å; S21-A24 WeakPolarHBondContact O-CB 3.37Å; S21-A24 PolarHBondContact O-N 2.85Å; S21-A24 VanDerWaalsContact O-N 3.16Å; R22-A24 VanDerWaalsContact C-N 3.34Å; A24-K26 PolarHBondContact O-N 3.26Å |
| 25 | V | 56.9 | Low | 55.3 | Low | 111 Ų | 111 | 132.8 Ų | 132.8 | 67% | 0.673 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -71.7 | 80.6 | 164.2 | -175.3 | 0 | 0 | 0 | 0 | 108 | S21 R22 L23 | S21-V25 PolarHBondContact O-N 3.27Å; S21-V25 VanDerWaalsContact O-N 3.11Å; R22-V25 PolarHBondContact O-N 3.28Å; L23-V25 VanDerWaalsContact C-N 3.32Å |
| 26 | K | 54.2 | Low | 54.1 | Low | 173 Ų | 173 | 131.3 Ų | 131.3 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | trans | -48.8 | 127.7 | 167.3 | -75.1 | -178.7 | 176.3 | 179.3 | 0 | 108.2 | A24 R28 | A24-K26 PolarHBondContact O-N 3.26Å; K26-R28 PolarHBondContact O-N 3.14Å | ||
| 27 | P | 51.9 | Low | 52.8 | Low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -61.8 | 112.9 | 178.5 | 24.8 | -31.2 | 0 | 0 | 0 | 107.7 | V29 | P27-V29 PolarHBondContact O-N 3.29Š| ||
| 28 | R | 53.2 | Low | 51.7 | Low | 245 Ų | 245 | 135.9 Ų | 135.9 | 93% | 0.925 | 72% | 0.723 | S | S | * | * | trans | -66.4 | 91.1 | 162.6 | -71.3 | -164.3 | 177.7 | -170.5 | 1.1 | 106.9 | K26 | K26-R28 PolarHBondContact O-N 3.14Š| ||
| 29 | V | 46.4 | Very low | 50.9 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | 13 | 113.2 | 130.6 | -176.7 | 0 | 0 | 0 | 0 | 113.2 | P27 | P27-V29 PolarHBondContact O-N 3.29Š| ||
| 30 | F | 44.1 | Very low | 49.9 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | trans | 46.9 | 106.9 | 154.3 | -74.2 | -99.5 | 0 | 0 | 0 | 118.4 | ||||
| 31 | S | 46.8 | Very low | 49.4 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -162.9 | 112.4 | 135.3 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 32 | S | 44.3 | Very low | 48.7 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | 55.3 | 109.3 | 133.3 | -33 | 0 | 0 | 0 | 0 | 118.7 | L34 | S32-L34 PolarHBondContact O-N 3.07Š| ||
| 33 | F | 47.6 | Very low | 48.6 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | 1.9 | 117.5 | 123.3 | -63.8 | -93.2 | 0 | 0 | 0 | 113.5 | |||||
| 34 | L | 44.6 | Very low | 47.8 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | -178.7 | 125.3 | 129 | -93.3 | 167.9 | 0 | 0 | 0 | 109.7 | S32 | S32-L34 PolarHBondContact O-N 3.07Š| |||
| 35 | L | 41.1 | Very low | 47.6 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | 72.2 | 121.5 | 141.1 | -126 | 68.1 | 0 | 0 | 0 | 119.7 | ||||
| 36 | G | 45.7 | Very low | 47.5 | Very low | 60 Ų | 60 | 145 Ų | 145 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | 123.1 | 95.1 | 124.2 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 37 | T | 43 | Very low | 47.6 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | 54.8 | 108.5 | 127.2 | 52.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 38 | L | 44.2 | Very low | 47.9 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | 30.4 | 155.8 | 132.2 | -58 | 178.4 | 0 | 0 | 0 | 120.8 | ||||
| 39 | P | 46.4 | Very low | 48.2 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | cis | -140 | 164.6 | 16.2 | 39 | -18.4 | 0 | 0 | 0 | 118 | ||||
| 40 | R | 42 | Very low | 49.1 | Very low | 225 Ų | 225 | 140.3 Ų | 140.3 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | trans | 25.1 | 109 | 137.1 | -170.2 | -175.8 | 174.8 | -176.5 | -1.9 | 119.3 | ||||
| 41 | A | 48.8 | Very low | 49.9 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -148.4 | 126.7 | 140 | 0 | 0 | 0 | 0 | 0 | 109.8 | P43 | A41-P43 WeakPolarHBondContact O-CD 3.29Š| ||
| 42 | K | 49.4 | Very low | 50.4 | Low | 171 Ų | 171 | 139.6 Ų | 139.6 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -73 | 127.4 | 180 | -67.2 | 176 | 171.1 | -177.9 | 0 | 110.3 | C44 | K42-C44 PolarHBondContact O-N 2.85Š| ||
| 43 | P | 53.4 | Low | 51.5 | Low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 99.9 | 152.5 | -2.8 | 22.3 | 0 | 0 | 0 | 107.5 | A41 | A41-P43 WeakPolarHBondContact O-CD 3.29Š| ||
| 44 | C | 42 | Very low | 52.5 | Low | 111 Ų | 111 | 139.7 Ų | 139.7 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 128.4 | 164.1 | -87.3 | 0 | 0 | 0 | 0 | 108.8 | K42 | K42-C44 PolarHBondContact O-N 2.85Š| ||
| 45 | A | 54.3 | Low | 53.7 | Low | 90 Ų | 90 | 137.9 Ų | 137.9 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | 56.1 | 71.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V47 | A45-V47 PolarHBondContact O-N 3.28Š| ||
| 46 | E | 54.8 | Low | 55.3 | Low | 167 Ų | 167 | 136.8 Ų | 136.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | -61.6 | 108.5 | 155.6 | -121.3 | -71 | 146.1 | 0 | 0 | 107.7 | R48 | E46-R48 PolarHBondContact O-N 2.98Š| ||
| 47 | V | 55.3 | Low | 56.8 | Low | 117 Ų | 117 | 139.6 Ų | 139.6 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -57 | 104.6 | 173 | 175.4 | 0 | 0 | 0 | 0 | 106 | A45 S49 | A45-V47 PolarHBondContact O-N 3.28Å; V47-S49 VanDerWaalsContact C-N 3.3Å; V47-S49 PolarHBondContact O-N 3.18Å | ||
| 48 | R | 58.1 | Low | 58.5 | Low | 223 Ų | 223 | 138.9 Ų | 138.9 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -48.2 | 97.2 | 175.4 | -76 | 179.3 | 166 | 162.5 | -3.8 | 108.5 | E46 V50 | E46-R48 PolarHBondContact O-N 2.98Å; R48-V50 HydrophobicContact CB-CG2 4.11Å; R48-V50 WeakPolarHBondContact O-CG2 3.41Å; R48-V50 PolarHBondContact O-N 3.32Å | ||
| 49 | S | 60.7 | Low | 60.3 | Low | 90 Ų | 90 | 138.8 Ų | 138.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 81.4 | 171.4 | -83.9 | 0 | 0 | 0 | 0 | 107.2 | V47 L51 | V47-S49 VanDerWaalsContact C-N 3.3Å; V47-S49 PolarHBondContact O-N 3.18Å; S49-L51 PolarHBondContact O-N 2.71Å | ||
| 50 | V | 64.8 | Low | 61.9 | Low | 126 Ų | 126 | 140.7 Ų | 140.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -6.7 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | R48 | R48-V50 HydrophobicContact CB-CG2 4.11Å; R48-V50 WeakPolarHBondContact O-CG2 3.41Å; R48-V50 PolarHBondContact O-N 3.32Å |
| 51 | L | 60.8 | Low | 63.8 | Low | 170 Ų | 170 | 135.8 Ų | 135.8 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -6.1 | -174.1 | -61.6 | 176.2 | 0 | 0 | 0 | 115.5 | S49 G53 | S49-L51 PolarHBondContact O-N 2.71Å; L51-G53 PolarHBondContact O-N 3.39Å |
| 52 | C | 57.6 | Low | 65.3 | Low | 121 Ų | 121 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -100.6 | 85.6 | -177.7 | -160.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 53 | G | 66.3 | Low | 66.7 | Low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | 143.2 | 60.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L51 P55 | L51-G53 PolarHBondContact O-N 3.39Å; G53-P55 WeakPolarHBondContact O-CD 3.28Å; G53-P55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | R | 69.5 | Low | 68.4 | Low | 234 Ų | 234 | 133.7 Ų | 133.7 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -59.9 | 112.8 | 154.3 | -81.5 | 177.3 | 151 | 179.6 | -6.2 | 105.9 | L56 | R54-L56 PolarHBondContact O-N 2.95Š| ||
| 55 | P | 68.9 | Low | 71 | Confident | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -59.7 | 114.1 | 172.3 | 23.5 | -29.6 | 0 | 0 | 0 | 106.3 | G53 | G53-P55 WeakPolarHBondContact O-CD 3.28Å; G53-P55 VanDerWaalsContact O-N 3.12Å | ||
| 56 | L | 76.1 | Confident | 72.9 | Confident | 146 Ų | 146 | 132.6 Ų | 132.6 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -53.6 | 138.6 | 170.1 | -68 | 172.2 | 0 | 0 | 0 | 106.9 | R54 T58 | R54-L56 PolarHBondContact O-N 2.95Å; L56-T58 PolarHBondContact O-N 3.38Å | ||
| 57 | P | 75.5 | Confident | 74.9 | Confident | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | -58.4 | 103.2 | 177.3 | 21.8 | -30.2 | 0 | 0 | 0 | 108.4 | L59 | P57-L59 PolarHBondContact O-N 3.16Å; P57-L59 VanDerWaalsContact O-N 3.09Å | ||
| 58 | T | 78.6 | Confident | 76.9 | Confident | 120 Ų | 120 | 125.5 Ų | 125.5 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | -63 | 115.4 | 177.3 | -55 | 0 | 0 | 0 | 0 | 106.9 | L56 L60 | L56-T58 PolarHBondContact O-N 3.38Å; T58-L60 PolarHBondContact O-N 3.38Å | ||
| 59 | L | 82.1 | Confident | 78.8 | Confident | 165 Ų | 165 | 117.2 Ų | 117.2 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -55.8 | 109.4 | 176.2 | -68.9 | 171.7 | 0 | 0 | 0 | 108.7 | P57 | P57-L59 PolarHBondContact O-N 3.16Å; P57-L59 VanDerWaalsContact O-N 3.09Å | ||
| 60 | L | 81.4 | Confident | 80.5 | Confident | 157 Ų | 157 | 118.2 Ų | 118.2 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -69.3 | 129.3 | 175.9 | -68.3 | 174.5 | 0 | 0 | 0 | 108.5 | T58 S62 | T58-L60 PolarHBondContact O-N 3.38Å; L60-S62 PolarHBondContact O-N 3.08Å | ||
| 61 | P | 82.2 | Confident | 82 | Confident | 121 Ų | 121 | 113 Ų | 113 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | trans | -62.9 | 115.1 | 175.3 | 25.2 | -32.3 | 0 | 0 | 0 | 109.2 | ||||
| 62 | S | 79.2 | Confident | 83.7 | Confident | 109 Ų | 109 | 112.1 Ų | 112.1 | 76% | 0.762 | 65% | 0.645 | S | S | * | * | trans | -66.6 | 142.1 | 175.4 | 69.2 | 0 | 0 | 0 | 0 | 111 | L60 G64 | L60-S62 PolarHBondContact O-N 3.08Å; S62-G64 PolarHBondContact O-N 3.44Å | ||
| 63 | L | 78 | Confident | 85.6 | Confident | 181 Ų | 181 | 112.1 Ų | 112.1 | 95% | 0.948 | 63% | 0.631 | S | S | * | * | trans | -68.8 | 95.5 | 172.5 | -67 | 174 | 0 | 0 | 0 | 109.6 | ||||
| 64 | G | 90.6 | Very high | 87.1 | Confident | 56 Ų | 56 | 114.4 Ų | 114.4 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | trans | -75 | -159.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S62 | S62-G64 PolarHBondContact O-N 3.44Š| ||
| 65 | F | 95.2 | Very high | 88.4 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 36% | 0.355 | 59% | 0.592 | S | S | . | * | trans | -87.4 | 139.4 | 177.4 | -69.3 | -89.7 | 0 | 0 | 0 | 112 | T67 F88 L90 K98 R100 | F65-T67 PolarHBondContact O-N 2.99Å; F65-F88 HydrophobicContact CD1-CD1 4.05Å; F65-F88 HydrophobicContact CE1-CD1 4.1Å; F65-F88 HydrophobicContact CG-CD1 4.33Å; F65-F88 HydrophobicContact CZ-CD1 4.43Å; F65-L90 HydrophobicContact CE1-CD2 3.6Å; F65-L90 HydrophobicContact CZ-CD2 3.99Å; F65-K98 HydrophobicContact CD1-CB 3.84Å; F65-K98 HydrophobicContact CE1-CB 4.04Å; F65-K98 HydrophobicContact CE1-CD 4.31Å; F65-K98 HydrophobicContact CE1-CG 4.35Å; F65-R100 HydrophobicContact CB-CB 3.75Å; F65-R100 HydrophobicContact CG-CB 4.38Å | ||
| 66 | K | 95.8 | Very high | 89.8 | Confident | 96 Ų | 96 | 109.4 Ų | 109.4 | 42% | 0.417 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.5 | 114.7 | 168.5 | -65.6 | 176 | -179.2 | 171.4 | 0 | 109.4 | K96 K98 Q99 R100 | K66-K96 PolarHBondContact NZ-O 3.19Å; K66-K98 PolarHBondContact N-O 3.36Å; K66-Q99 HydrophobicContact CB-CG 4.39Å; K66-Q99 CarbonylContact O-C 3.49Å; K66-Q99 WeakPolarHBondContact O-CA 3.48Å; K66-R100 PolarHBondContact O-N 2.83Å |
| 67 | T | 96.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 106.1 Ų | 106.1 | 31% | 0.307 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.3 | -179.2 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | F65 R100 M102 | F65-T67 PolarHBondContact O-N 2.99Å; T67-R100 CarbonylContact C-O 3.59Å; T67-R100 VanDerWaalsContact CA-O 3.26Å; T67-R100 WeakPolarHBondContact CA-O 3.09Å; T67-R100 PolarHBondContact OG1-NE 3.07Å; T67-R100 PolarHBondContact OG1-NH2 3.48Å; T67-R100 VanDerWaalsContact OG1-NH2 3.08Å; T67-M102 HydrophobicContact CG2-CB 4.12Å; T67-M102 HydrophobicContact CG2-CG 3.4Å; T67-M102 VanDerWaalsContact CG2-CG 3.4Å |
| 68 | K | 97.2 | Very high | 91.9 | Very high | 86 Ų | 86 | 100.5 Ų | 100.5 | 37% | 0.374 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.2 | -179.1 | -65.5 | -164.9 | 172.4 | -159.9 | 0 | 110.9 | I71 R100 Q101 M102 | K68-I71 HydrophobicContact CB-CG2 4.29Å; K68-R100 PolarHBondContact N-O 2.7Å; K68-Q101 WeakPolarHBondContact O-CA 3.42Å; K68-M102 PolarHBondContact O-N 2.95Å |
| 69 | G | 97 | Very high | 92.8 | Very high | 49 Ų | 49 | 99 Ų | 99 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -67 | -53 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 70 | V | 96.3 | Very high | 93.6 | Very high | 110 Ų | 110 | 96.7 Ų | 96.7 | 67% | 0.667 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -106.7 | 121.9 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 110 | K72 | V70-K72 HydrophobicContact CG1-CG 4.33Š|
| 71 | I | 97.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 90.5 Ų | 90.5 | 9% | 0.092 | 48% | 0.477 | C | S | . | . | trans | -101.8 | 132.1 | 179.1 | 55 | 163.3 | 0 | 0 | 0 | 110.9 | K68 W87 I89 Q99 | K68-I71 HydrophobicContact CB-CG2 4.29Å; I71-W87 HydrophobicContact CD1-CB 3.37Å; I71-W87 HydrophobicContact CD1-CG 4.49Å; I71-I89 HydrophobicContact CB-CD1 3.8Å; I71-I89 HydrophobicContact CB-CG1 4.13Å; I71-I89 HydrophobicContact CD1-CG1 4.09Å; I71-I89 HydrophobicContact CG1-CD1 4.43Å; I71-Q99 HydrophobicContact CG2-CB 4.08Å | ||
| 72 | K | 96.9 | Very high | 95.1 | Very high | 150 Ų | 150 | 91 Ų | 91 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | trans | -133.8 | 144.2 | 179.1 | -62.8 | -177.3 | -176.8 | -178.2 | 0 | 111.6 | V70 I89 Q99 | V70-K72 HydrophobicContact CG1-CG 4.33Å; K72-I89 VanDerWaalsContact N-CD1 3.31Å; K72-I89 WeakPolarHBondContact O-CD1 3.46Å; K72-Q99 PolarHBondContact O-NE2 2.93Å | ||
| 73 | K | 97.5 | Very high | 96 | Very high | 121 Ų | 121 | 92.3 Ų | 92.3 | 53% | 0.526 | 46% | 0.455 | S | S | . | . | trans | -63.9 | 140.2 | 173.6 | -68 | -177.1 | 175.2 | -160.3 | 0 | 108.6 | C78 | K73-C78 HydrophobicContact CB-CB 3.74Å; K73-C78 HydrophobicContact CD-CB 4.45Å; K73-C78 WeakPolarHBondContact CD-O 3.19Å; K73-C78 WeakPolarHBondContact CE-O 3.07Å; K73-C78 HydrophobicContact CG-CB 3.86Å; K73-C78 PolarHBondContact NZ-O 2.95Å; K73-C78 VanDerWaalsContact NZ-O 3.14Å | ||
| 74 | R | 96.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 95.9 Ų | 95.9 | 42% | 0.423 | 46% | 0.456 | S | S | . | . | trans | -108.8 | -27.5 | -178.7 | -61.3 | -174.3 | -168.4 | -160.7 | 2 | 113.5 | H97 | R74-H97 VanDerWaalsContact CD-CD2 3.48Å; R74-H97 WeakPolarHBondContact CD-CD2 3.48Å | ||
| 75 | C | 97.5 | Very high | 97.1 | Very high | 42 Ų | 42 | 96 Ų | 96 | 28% | 0.284 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -138.8 | 175.6 | 175.9 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | D77 C78 C91 H97 | C75-D77 VanDerWaalsContact C-N 3.28Å; C75-D77 PolarHBondContact O-N 2.99Å; C75-C78 WeakPolarHBondContact O-CB 3.14Å; C75-C78 PolarHBondContact O-N 2.97Å; C75-C78 VanDerWaalsContact O-N 3.16Å; C75-C78 PolarHBondContact SG-SG 2.93Å; C75-C91 PolarHBondContact SG-SG 2.77Å; C75-H97 PolarHBondContact SG-ND1 3.44Å |
| 76 | K | 97.4 | Very high | 97.3 | Very high | 207 Ų | 207 | 97.7 Ų | 97.7 | 90% | 0.9 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -37.1 | -179.9 | -60.8 | -178.9 | -179.5 | -177.1 | 0 | 112.5 | C78 | K76-C78 VanDerWaalsContact C-N 3.25Å; K76-C78 PolarHBondContact O-N 3.47Å |
| 77 | D | 97.8 | Very high | 97.4 | Very high | 78 Ų | 78 | 98.2 Ų | 98.2 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -3.6 | -179 | -46.1 | -51.6 | 0 | 0 | 0 | 114 | C75 T93 | C75-D77 VanDerWaalsContact C-N 3.28Å; C75-D77 PolarHBondContact O-N 2.99Å; D77-T93 WeakPolarHBondContact CB-OG1 3.38Å; D77-T93 PolarHBondContact OD2-OG1 2.94Å |
| 78 | C | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 97 Ų | 97 | 1% | 0.007 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.5 | 175.2 | -73 | 0 | 0 | 0 | 0 | 110.3 | K73 C75 K76 I89 L90 | K73-C78 HydrophobicContact CB-CB 3.74Å; K73-C78 HydrophobicContact CD-CB 4.45Å; K73-C78 WeakPolarHBondContact CD-O 3.19Å; K73-C78 WeakPolarHBondContact CE-O 3.07Å; K73-C78 HydrophobicContact CG-CB 3.86Å; K73-C78 PolarHBondContact NZ-O 2.95Å; K73-C78 VanDerWaalsContact NZ-O 3.14Å; C75-C78 WeakPolarHBondContact O-CB 3.14Å; C75-C78 PolarHBondContact O-N 2.97Å; C75-C78 VanDerWaalsContact O-N 3.16Å; C75-C78 PolarHBondContact SG-SG 2.93Å; K76-C78 VanDerWaalsContact C-N 3.25Å; K76-C78 PolarHBondContact O-N 3.47Å; C78-I89 HydrophobicContact CB-CG2 3.93Å; C78-L90 WeakPolarHBondContact CA-O 3.37Å |
| 79 | Y | 98.1 | Very high | 97.5 | Very high | 90 Ų | 90 | 92.9 Ų | 92.9 | 35% | 0.353 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.8 | 174.9 | 63.9 | -82.6 | 0 | 0 | 0 | 111.4 | V81 I89 L90 K92 | Y79-V81 HydrophobicContact CD2-CG1 3.61Å; Y79-V81 HydrophobicContact CE2-CG1 3.52Å; Y79-I89 WeakPolarHBondContact O-CA 3.01Å; Y79-L90 HydrophobicContact CD1-CB 4.36Å; Y79-L90 HydrophobicContact CD2-CB 4.44Å; Y79-L90 HydrophobicContact CE1-CB 3.76Å; Y79-L90 HydrophobicContact CE2-CB 3.86Å; Y79-L90 HydrophobicContact CE2-CD1 3.92Å; Y79-L90 HydrophobicContact CE2-CG 4.42Å; Y79-L90 VanDerWaalsContact CZ-CB 3.48Å; Y79-L90 PolarHBondContact N-O 3.09Å; Y79-L90 PolarHBondContact O-N 2.93Å; Y79-K92 HydrophobicContact CE1-CG 4.27Å |
| 80 | K | 97.7 | Very high | 97.5 | Very high | 115 Ų | 115 | 91.3 Ų | 91.3 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 138.5 | -179.8 | -70.1 | -177.1 | 179.3 | -179.4 | 0 | 109.2 | W87 F88 I89 | K80-W87 HydrophobicContact CB-CE3 4.23Å; K80-W87 HydrophobicContact CB-CZ3 4.31Å; K80-F88 CarbonylContact C-O 3.51Å; K80-F88 VanDerWaalsContact CA-O 3.29Å; K80-F88 WeakPolarHBondContact CA-O 3.3Å; K80-I89 HydrophobicContact CG-CG1 4.36Å |
| 81 | V | 97.9 | Very high | 97.6 | Very high | 28 Ų | 28 | 86.5 Ų | 86.5 | 17% | 0.17 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140.9 | 171.6 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | Y79 R83 W87 F88 L90 | Y79-V81 HydrophobicContact CD2-CG1 3.61Å; Y79-V81 HydrophobicContact CE2-CG1 3.52Å; V81-R83 HydrophobicContact CG2-CG 4.41Å; V81-W87 CarbonylContact O-C 3.59Å; V81-F88 HydrophobicContact CG2-CB 3.76Å; V81-F88 PolarHBondContact N-O 3.14Å; V81-F88 PolarHBondContact O-N 3.13Å; V81-L90 HydrophobicContact CG1-CD1 4.19Å; V81-L90 HydrophobicContact CG2-CD1 3.72Å; V81-L90 HydrophobicContact CG2-CG 4.03Å |
| 82 | K | 97.9 | Very high | 97.4 | Very high | 131 Ų | 131 | 94.4 Ų | 94.4 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.4 | 172.7 | -164.6 | 176.9 | -176.8 | -178.8 | 0 | 108.8 | G85 R86 W87 | K82-G85 WeakPolarHBondContact CE-O 3.39Å; K82-R86 CarbonylContact C-O 3.55Å; K82-R86 WeakPolarHBondContact CA-O 3.39Å; K82-W87 HydrophobicContact CB-CD2 4.08Å; K82-W87 HydrophobicContact CB-CE3 3.84Å; K82-W87 HydrophobicContact CB-CH2 4.12Å; K82-W87 HydrophobicContact CB-CZ2 4.34Å; K82-W87 HydrophobicContact CB-CZ3 3.87Å; K82-W87 HydrophobicContact CD-CH2 4.47Å; K82-W87 HydrophobicContact CD-CZ2 3.98Å; K82-W87 HydrophobicContact CG-CD2 4.23Å; K82-W87 HydrophobicContact CG-CE3 4.5Å; K82-W87 HydrophobicContact CG-CZ2 4.48Å |
| 83 | R | 97.6 | Very high | 97.5 | Very high | 136 Ų | 136 | 91.9 Ų | 91.9 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 127.5 | 178.6 | -62 | 179.5 | -179.5 | -179.2 | -2.4 | 109 | V81 G85 R86 F88 | V81-R83 HydrophobicContact CG2-CG 4.41Å; R83-G85 VanDerWaalsContact C-N 3.27Å; R83-G85 PolarHBondContact O-N 3.32Å; R83-R86 PolarHBondContact N-O 3.16Å; R83-R86 PolarHBondContact O-N 3.43Å; R83-R86 VanDerWaalsContact O-N 3.08Å; R83-F88 HydrophobicContact CB-CD2 4.15Å; R83-F88 HydrophobicContact CB-CE2 3.87Å; R83-F88 HydrophobicContact CG-CD2 4.5Å |
| 84 | R | 96.5 | Very high | 97.4 | Very high | 257 Ų | 257 | 88.9 Ų | 88.9 | 97% | 0.97 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 48.1 | 179.4 | -55.3 | -178.6 | -177.8 | -172.3 | -0.5 | 112.3 | R86 | R84-R86 PolarHBondContact O-N 3.14Å; R84-R86 VanDerWaalsContact O-N 3.11Å |
| 85 | G | 97 | Very high | 97.2 | Very high | 58 Ų | 58 | 87.7 Ų | 87.7 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -20.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K82 R83 | K82-G85 WeakPolarHBondContact CE-O 3.39Å; R83-G85 VanDerWaalsContact C-N 3.27Å; R83-G85 PolarHBondContact O-N 3.32Å |
| 86 | R | 97.3 | Very high | 97.1 | Very high | 116 Ų | 116 | 92.7 Ų | 92.7 | 44% | 0.438 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 147.5 | -178.6 | -71 | -178.1 | 167 | 131.2 | -1.8 | 112.9 | K82 R83 R84 F88 M102 | K82-R86 CarbonylContact C-O 3.55Å; K82-R86 WeakPolarHBondContact CA-O 3.39Å; R83-R86 PolarHBondContact N-O 3.16Å; R83-R86 PolarHBondContact O-N 3.43Å; R83-R86 VanDerWaalsContact O-N 3.08Å; R84-R86 PolarHBondContact O-N 3.14Å; R84-R86 VanDerWaalsContact O-N 3.11Å; R86-F88 HydrophobicContact CB-CE2 3.79Å; R86-F88 HydrophobicContact CB-CZ 4.25Å; R86-F88 WeakPolarHBondContact O-CD2 3.33Å; R86-F88 WeakPolarHBondContact O-CE2 3.48Å; R86-M102 PolarHBondContact NE-O 3.37Å; R86-M102 PolarHBondContact NH2-O 2.96Å; R86-M102 VanDerWaalsContact NH2-O 3.16Å |
| 87 | W | 98.3 | Very high | 97 | Very high | 107 Ų | 107 | 84.3 Ų | 84.3 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 144.5 | 170.2 | -68.1 | 99.6 | 0 | 0 | 0 | 112.6 | I71 K80 V81 K82 Q101 | I71-W87 HydrophobicContact CD1-CB 3.37Å; I71-W87 HydrophobicContact CD1-CG 4.49Å; K80-W87 HydrophobicContact CB-CE3 4.23Å; K80-W87 HydrophobicContact CB-CZ3 4.31Å; V81-W87 CarbonylContact O-C 3.59Å; K82-W87 HydrophobicContact CB-CD2 4.08Å; K82-W87 HydrophobicContact CB-CE3 3.84Å; K82-W87 HydrophobicContact CB-CH2 4.12Å; K82-W87 HydrophobicContact CB-CZ2 4.34Å; K82-W87 HydrophobicContact CB-CZ3 3.87Å; K82-W87 HydrophobicContact CD-CH2 4.47Å; K82-W87 HydrophobicContact CD-CZ2 3.98Å; K82-W87 HydrophobicContact CG-CD2 4.23Å; K82-W87 HydrophobicContact CG-CE3 4.5Å; K82-W87 HydrophobicContact CG-CZ2 4.48Å; W87-Q101 HydrophobicContact CB-CB 4.37Å; W87-Q101 VanDerWaalsContact CD1-OE1 3.27Å; W87-Q101 WeakPolarHBondContact O-CB 3.45Å; W87-Q101 PolarHBondContact O-N 3.43Å |
| 88 | F | 98.2 | Very high | 97 | Very high | 25 Ų | 25 | 84.4 Ų | 84.4 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.7 | 177.5 | -62.5 | -101.6 | 0 | 0 | 0 | 110.3 | F65 K80 V81 R83 R86 Q99 R100 | F65-F88 HydrophobicContact CD1-CD1 4.05Å; F65-F88 HydrophobicContact CE1-CD1 4.1Å; F65-F88 HydrophobicContact CG-CD1 4.33Å; F65-F88 HydrophobicContact CZ-CD1 4.43Å; K80-F88 CarbonylContact C-O 3.51Å; K80-F88 VanDerWaalsContact CA-O 3.29Å; K80-F88 WeakPolarHBondContact CA-O 3.3Å; V81-F88 HydrophobicContact CG2-CB 3.76Å; V81-F88 PolarHBondContact N-O 3.14Å; V81-F88 PolarHBondContact O-N 3.13Å; R83-F88 HydrophobicContact CB-CD2 4.15Å; R83-F88 HydrophobicContact CB-CE2 3.87Å; R83-F88 HydrophobicContact CG-CD2 4.5Å; R86-F88 HydrophobicContact CB-CE2 3.79Å; R86-F88 HydrophobicContact CB-CZ 4.25Å; R86-F88 WeakPolarHBondContact O-CD2 3.33Å; R86-F88 WeakPolarHBondContact O-CE2 3.48Å; F88-Q99 CarbonylContact C-O 3.57Å; F88-Q99 VanDerWaalsContact CA-O 3.26Å; F88-Q99 WeakPolarHBondContact CA-O 3.48Å; F88-R100 HydrophobicContact CD1-CB 3.78Å; F88-R100 HydrophobicContact CD1-CG 3.93Å; F88-R100 HydrophobicContact CE1-CB 3.7Å; F88-R100 HydrophobicContact CE1-CG 3.4Å; F88-R100 HydrophobicContact CZ-CG 3.86Å |
| 89 | I | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.7 | 165.8 | -60.7 | -174.7 | 0 | 0 | 0 | 107.8 | I71 K72 C78 Y79 K80 K98 Q99 | I71-I89 HydrophobicContact CB-CD1 3.8Å; I71-I89 HydrophobicContact CB-CG1 4.13Å; I71-I89 HydrophobicContact CD1-CG1 4.09Å; I71-I89 HydrophobicContact CG1-CD1 4.43Å; K72-I89 VanDerWaalsContact N-CD1 3.31Å; K72-I89 WeakPolarHBondContact O-CD1 3.46Å; C78-I89 HydrophobicContact CB-CG2 3.93Å; Y79-I89 WeakPolarHBondContact O-CA 3.01Å; K80-I89 HydrophobicContact CG-CG1 4.36Å; I89-K98 VanDerWaalsContact O-CA 3.28Å; I89-K98 WeakPolarHBondContact O-CA 3.39Å; I89-Q99 HydrophobicContact CB-CB 4.17Å; I89-Q99 PolarHBondContact N-O 3.42Å; I89-Q99 PolarHBondContact O-N 3.3Å |
| 90 | L | 97.4 | Very high | 97 | Very high | 16 Ų | 16 | 84.6 Ų | 84.6 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 150.1 | 172 | -63.1 | 177.8 | 0 | 0 | 0 | 108.9 | F65 C78 Y79 V81 | F65-L90 HydrophobicContact CE1-CD2 3.6Å; F65-L90 HydrophobicContact CZ-CD2 3.99Å; C78-L90 WeakPolarHBondContact CA-O 3.37Å; Y79-L90 HydrophobicContact CD1-CB 4.36Å; Y79-L90 HydrophobicContact CD2-CB 4.44Å; Y79-L90 HydrophobicContact CE1-CB 3.76Å; Y79-L90 HydrophobicContact CE2-CB 3.86Å; Y79-L90 HydrophobicContact CE2-CD1 3.92Å; Y79-L90 HydrophobicContact CE2-CG 4.42Å; Y79-L90 VanDerWaalsContact CZ-CB 3.48Å; Y79-L90 PolarHBondContact N-O 3.09Å; Y79-L90 PolarHBondContact O-N 2.93Å; V81-L90 HydrophobicContact CG1-CD1 4.19Å; V81-L90 HydrophobicContact CG2-CD1 3.72Å; V81-L90 HydrophobicContact CG2-CG 4.03Å |
| 91 | C | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 82.1 Ų | 82.1 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 130.5 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 107.1 | C75 N94 H97 | C75-C91 PolarHBondContact SG-SG 2.77Å; C91-N94 WeakPolarHBondContact CB-O 3.33Å; C91-N94 PolarHBondContact SG-N 3.05Å; C91-N94 VanDerWaalsContact SG-N 3.44Å; C91-H97 HydrophobicContact CB-CB 3.74Å |
| 92 | K | 95.1 | Very high | 96.8 | Very high | 183 Ų | 183 | 88 Ų | 88 | 80% | 0.796 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -75.2 | -41 | 177 | -63 | -177.7 | -179.5 | -179.2 | 0 | 110.9 | Y79 | Y79-K92 HydrophobicContact CE1-CG 4.27Š|
| 93 | T | 97.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 85.8 Ų | 85.8 | 60% | 0.601 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -79.5 | -44.3 | -171.6 | -33.5 | 0 | 0 | 0 | 0 | 113.9 | D77 | D77-T93 WeakPolarHBondContact CB-OG1 3.38Å; D77-T93 PolarHBondContact OD2-OG1 2.94Å |
| 94 | N | 95.6 | Very high | 96.7 | Very high | 57 Ų | 57 | 83.2 Ų | 83.2 | 31% | 0.305 | 39% | 0.393 | S | S | . | . | trans | -128.4 | 110.6 | -176.4 | -168.3 | -25.4 | 0 | 0 | 0 | 112.1 | C91 K96 H97 | C91-N94 WeakPolarHBondContact CB-O 3.33Å; C91-N94 PolarHBondContact SG-N 3.05Å; C91-N94 VanDerWaalsContact SG-N 3.44Å; N94-K96 PolarHBondContact O-N 2.6Å; N94-K96 WeakPolarHBondContact OD1-CB 3.37Å; N94-K96 WeakPolarHBondContact OD1-CG 3.33Å; N94-K96 PolarHBondContact OD1-N 3.18Å; N94-H97 WeakPolarHBondContact O-CB 3.39Å; N94-H97 PolarHBondContact O-N 3.45Å | ||
| 95 | P | 93.4 | Very high | 96.7 | Very high | 88 Ų | 88 | 73.5 Ų | 73.5 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65 | -21.6 | -180 | 26.5 | -34.1 | 0 | 0 | 0 | 113 | H97 K98 | P95-H97 PolarHBondContact O-N 3.44Å; P95-H97 VanDerWaalsContact O-N 3.14Å; P95-K98 WeakPolarHBondContact O-CB 3.33Å; P95-K98 WeakPolarHBondContact O-CG 3.47Å; P95-K98 PolarHBondContact O-N 2.91Å; P95-K98 VanDerWaalsContact O-N 3.13Å |
| 96 | K | 94.1 | Very high | 96.7 | Very high | 147 Ų | 147 | 74.4 Ų | 74.4 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.5 | 177.5 | -61.3 | -176.6 | 176.8 | -179.7 | 0 | 113.2 | K66 N94 | K66-K96 PolarHBondContact NZ-O 3.19Å; N94-K96 PolarHBondContact O-N 2.6Å; N94-K96 WeakPolarHBondContact OD1-CB 3.37Å; N94-K96 WeakPolarHBondContact OD1-CG 3.33Å; N94-K96 PolarHBondContact OD1-N 3.18Å |
| 97 | H | 96.9 | Very high | 96.7 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -83.3 | -12.2 | 177.2 | -65.1 | 174 | 0 | 0 | 0 | 113.8 | R74 C75 C91 N94 P95 Q99 | R74-H97 VanDerWaalsContact CD-CD2 3.48Å; R74-H97 WeakPolarHBondContact CD-CD2 3.48Å; C75-H97 PolarHBondContact SG-ND1 3.44Å; C91-H97 HydrophobicContact CB-CB 3.74Å; N94-H97 WeakPolarHBondContact O-CB 3.39Å; N94-H97 PolarHBondContact O-N 3.45Å; P95-H97 PolarHBondContact O-N 3.44Å; P95-H97 VanDerWaalsContact O-N 3.14Å; H97-Q99 WeakPolarHBondContact O-CG 3.21Å; H97-Q99 PolarHBondContact O-N 3.35Å; H97-Q99 PolarHBondContact O-NE2 3.03Å; H97-Q99 VanDerWaalsContact O-NE2 3.07Å |
| 98 | K | 97.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | trans | -59.4 | 121.8 | 179.9 | -70.6 | -179.7 | -177.8 | 178.6 | 0 | 110.8 | F65 K66 I89 P95 | F65-K98 HydrophobicContact CD1-CB 3.84Å; F65-K98 HydrophobicContact CE1-CB 4.04Å; F65-K98 HydrophobicContact CE1-CD 4.31Å; F65-K98 HydrophobicContact CE1-CG 4.35Å; K66-K98 PolarHBondContact N-O 3.36Å; I89-K98 VanDerWaalsContact O-CA 3.28Å; I89-K98 WeakPolarHBondContact O-CA 3.39Å; P95-K98 WeakPolarHBondContact O-CB 3.33Å; P95-K98 WeakPolarHBondContact O-CG 3.47Å; P95-K98 PolarHBondContact O-N 2.91Å; P95-K98 VanDerWaalsContact O-N 3.13Å | ||
| 99 | Q | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.3 | -177.8 | -66.6 | 160.8 | 70 | 0 | 0 | 111.2 | K66 I71 K72 F88 I89 H97 | K66-Q99 HydrophobicContact CB-CG 4.39Å; K66-Q99 CarbonylContact O-C 3.49Å; K66-Q99 WeakPolarHBondContact O-CA 3.48Å; I71-Q99 HydrophobicContact CG2-CB 4.08Å; K72-Q99 PolarHBondContact O-NE2 2.93Å; F88-Q99 CarbonylContact C-O 3.57Å; F88-Q99 VanDerWaalsContact CA-O 3.26Å; F88-Q99 WeakPolarHBondContact CA-O 3.48Å; I89-Q99 HydrophobicContact CB-CB 4.17Å; I89-Q99 PolarHBondContact N-O 3.42Å; I89-Q99 PolarHBondContact O-N 3.3Å; H97-Q99 WeakPolarHBondContact O-CG 3.21Å; H97-Q99 PolarHBondContact O-N 3.35Å; H97-Q99 PolarHBondContact O-NE2 3.03Å; H97-Q99 VanDerWaalsContact O-NE2 3.07Å |
| 100 | R | 97.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 78.2 Ų | 78.2 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.1 | 174.5 | 175.6 | 176.9 | 74.6 | 167.9 | 5.2 | 109.1 | F65 K66 T67 K68 F88 | F65-R100 HydrophobicContact CB-CB 3.75Å; F65-R100 HydrophobicContact CG-CB 4.38Å; K66-R100 PolarHBondContact O-N 2.83Å; T67-R100 CarbonylContact C-O 3.59Å; T67-R100 VanDerWaalsContact CA-O 3.26Å; T67-R100 WeakPolarHBondContact CA-O 3.09Å; T67-R100 PolarHBondContact OG1-NE 3.07Å; T67-R100 PolarHBondContact OG1-NH2 3.48Å; T67-R100 VanDerWaalsContact OG1-NH2 3.08Å; K68-R100 PolarHBondContact N-O 2.7Å; F88-R100 HydrophobicContact CD1-CB 3.78Å; F88-R100 HydrophobicContact CD1-CG 3.93Å; F88-R100 HydrophobicContact CE1-CB 3.7Å; F88-R100 HydrophobicContact CE1-CG 3.4Å; F88-R100 HydrophobicContact CZ-CG 3.86Å |
| 101 | Q | 97.7 | Very high | 96.2 | Very high | 62 Ų | 62 | 83.4 Ų | 83.4 | 29% | 0.29 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 131.1 | 168.5 | -170.5 | -178.7 | 12.3 | 0 | 0 | 109.8 | K68 W87 | K68-Q101 WeakPolarHBondContact O-CA 3.42Å; W87-Q101 HydrophobicContact CB-CB 4.37Å; W87-Q101 VanDerWaalsContact CD1-OE1 3.27Å; W87-Q101 WeakPolarHBondContact O-CB 3.45Å; W87-Q101 PolarHBondContact O-N 3.43Å |
| 102 | M | 94.7 | Very high | 96.1 | Very high | 151 Ų | 151 | 90.2 Ų | 90.2 | 74% | 0.744 | 44% | 0.436 | S | S | * | . | trans | -51.5 | 0 | 168.6 | -74.2 | 179.4 | 156.3 | 0 | 0 | 109.5 | T67 K68 R86 | T67-M102 HydrophobicContact CG2-CB 4.12Å; T67-M102 HydrophobicContact CG2-CG 3.4Å; T67-M102 VanDerWaalsContact CG2-CG 3.4Å; K68-M102 PolarHBondContact O-N 2.95Å; R86-M102 PolarHBondContact NE-O 3.37Å; R86-M102 PolarHBondContact NH2-O 2.96Å; R86-M102 VanDerWaalsContact NH2-O 3.16Å |
Retrieved 102 of 102 residues in 148.5 ms
(Link to these results)