| 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 | 47.9 | Very low | 60 | Low | 244 Ų | 244 | 126.4 Ų | 126.4 | 100% | 1.202 | 66% | 0.663 | S | S | * | * | 0 | 47.6 | 0 | -61.7 | -154 | -123.7 | 0 | 0 | 113.2 | |||||
| 2 | A | 56.9 | Low | 60.7 | Low | 85 Ų | 85 | 124.7 Ų | 124.7 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | trans | -116.4 | -9.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | A | 56 | Low | 61.2 | Low | 66 Ų | 66 | 128.8 Ų | 128.8 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -77.2 | -29.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | G5 R6 | A3-G5 PolarHBondContact O-N 3.46Å; A3-R6 PolarHBondContact O-N 3.48Å |
| 4 | F | 56.7 | Low | 61.7 | Low | 180 Ų | 180 | 123.6 Ų | 123.6 | 79% | 0.789 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.7 | -30 | -176.2 | -70.3 | -78.2 | 0 | 0 | 0 | 114.1 | R6 S8 | F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.32Å; F4-S8 PolarHBondContact O-N 2.99Å |
| 5 | G | 59.5 | Low | 62.3 | Low | 39 Ų | 39 | 118.9 Ų | 118.9 | 40% | 0.402 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.7 | -24.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A3 S8 Q9 | A3-G5 PolarHBondContact O-N 3.46Å; G5-S8 PolarHBondContact O-OG 3.16Å; G5-S8 VanDerWaalsContact O-OG 3.07Å; G5-Q9 WeakPolarHBondContact O-CB 3.42Å; G5-Q9 WeakPolarHBondContact O-CG 3.26Å; G5-Q9 PolarHBondContact O-N 2.97Å; G5-Q9 VanDerWaalsContact O-N 3.16Å |
| 6 | R | 62.1 | Low | 63 | Low | 196 Ų | 196 | 118.5 Ų | 118.5 | 74% | 0.74 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76 | -36.4 | 177.7 | -75.7 | -176.3 | 156 | -159.4 | -4.8 | 112.2 | A3 F4 M10 | A3-R6 PolarHBondContact O-N 3.48Å; F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.32Å; R6-M10 WeakPolarHBondContact O-CB 3.39Å; R6-M10 PolarHBondContact O-N 3.01Å |
| 7 | F | 61.2 | Low | 63.6 | Low | 146 Ų | 146 | 115.9 Ų | 115.9 | 64% | 0.64 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.6 | -41.8 | 175.6 | -84.2 | -81 | 0 | 0 | 0 | 112 | Q9 M10 L11 | F7-Q9 PolarHBondContact O-N 3.25Å; F7-M10 PolarHBondContact O-N 3.49Å; F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 3.46Å |
| 8 | S | 60.9 | Low | 64.3 | Low | 59 Ų | 59 | 116.7 Ų | 116.7 | 41% | 0.413 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.6 | -40 | 175.3 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | F4 G5 M10 L11 L12 | F4-S8 PolarHBondContact O-N 2.99Å; G5-S8 PolarHBondContact O-OG 3.16Å; G5-S8 VanDerWaalsContact O-OG 3.07Å; S8-M10 PolarHBondContact O-N 3.07Å; S8-L11 PolarHBondContact O-N 3.38Å; S8-L12 WeakPolarHBondContact O-CB 3.41Å; S8-L12 PolarHBondContact O-N 3.06Å |
| 9 | Q | 62 | Low | 64.9 | Low | 118 Ų | 118 | 114.5 Ų | 114.5 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.5 | -36.3 | 173.3 | -82.8 | -169 | -31.1 | 0 | 0 | 113.4 | G5 F7 R13 | G5-Q9 WeakPolarHBondContact O-CB 3.42Å; G5-Q9 WeakPolarHBondContact O-CG 3.26Å; G5-Q9 PolarHBondContact O-N 2.97Å; G5-Q9 VanDerWaalsContact O-N 3.16Å; F7-Q9 PolarHBondContact O-N 3.25Å; Q9-R13 VanDerWaalsContact O-CB 3.32Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 VanDerWaalsContact O-CG 3.26Å; Q9-R13 WeakPolarHBondContact O-CG 3.44Å; Q9-R13 PolarHBondContact O-N 3.41Å |
| 10 | M | 66.3 | Low | 65.5 | Low | 138 Ų | 138 | 119 Ų | 119 | 68% | 0.68 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.5 | -41.8 | 176 | -108.2 | -177.8 | 170.7 | 0 | 0 | 112.1 | R6 F7 S8 R13 S14 | R6-M10 WeakPolarHBondContact O-CB 3.39Å; R6-M10 PolarHBondContact O-N 3.01Å; F7-M10 PolarHBondContact O-N 3.49Å; S8-M10 PolarHBondContact O-N 3.07Å; M10-R13 PolarHBondContact O-N 3.49Å; M10-S14 WeakPolarHBondContact O-CB 3.32Å; M10-S14 PolarHBondContact O-N 3.43Å; M10-S14 PolarHBondContact O-OG 2.89Å |
| 11 | L | 70.5 | Confident | 66 | Low | 119 Ų | 119 | 122.2 Ų | 122.2 | 62% | 0.623 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68 | -38.8 | 177.3 | -69.1 | 173.1 | 0 | 0 | 0 | 112 | F7 S8 S14 S15 | F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 3.46Å; S8-L11 PolarHBondContact O-N 3.38Å; L11-S14 PolarHBondContact O-OG 2.93Å; L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 2.62Å; L11-S15 PolarHBondContact O-OG 2.97Å |
| 12 | L | 68.8 | Low | 67.4 | Low | 106 Ų | 106 | 116.9 Ų | 116.9 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 172.6 | -91.7 | 148.1 | 0 | 0 | 0 | 112.2 | S8 S15 L16 | S8-L12 WeakPolarHBondContact O-CB 3.41Å; S8-L12 PolarHBondContact O-N 3.06Å; L12-S15 WeakPolarHBondContact CA-OG 3.46Å; L12-S15 PolarHBondContact O-OG 2.87Å; L12-S15 VanDerWaalsContact O-OG 3.06Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.05Å |
| 13 | R | 66.4 | Low | 68.3 | Low | 178 Ų | 178 | 118.5 Ų | 118.5 | 67% | 0.672 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.4 | -40.9 | 176.3 | -78.4 | 178.8 | 177.5 | -140.3 | 0.2 | 112.2 | Q9 M10 T17 | Q9-R13 VanDerWaalsContact O-CB 3.32Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 VanDerWaalsContact O-CG 3.26Å; Q9-R13 WeakPolarHBondContact O-CG 3.44Å; Q9-R13 PolarHBondContact O-N 3.41Å; M10-R13 PolarHBondContact O-N 3.49Å; R13-T17 WeakPolarHBondContact O-CG2 3.29Å; R13-T17 PolarHBondContact O-N 3.01Å; R13-T17 PolarHBondContact O-OG1 3.12Å; R13-T17 VanDerWaalsContact O-OG1 3.09Å |
| 14 | S | 68.9 | Low | 69 | Low | 56 Ų | 56 | 118.5 Ų | 118.5 | 39% | 0.392 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66 | -46.4 | 179.1 | 72.1 | 0 | 0 | 0 | 0 | 111.2 | M10 L11 T17 Q18 | M10-S14 WeakPolarHBondContact O-CB 3.32Å; M10-S14 PolarHBondContact O-N 3.43Å; M10-S14 PolarHBondContact O-OG 2.89Å; L11-S14 PolarHBondContact O-OG 2.93Å; S14-T17 WeakPolarHBondContact CA-OG1 3.28Å; S14-T17 PolarHBondContact O-N 2.72Å; S14-T17 PolarHBondContact O-OG1 3.08Å; S14-Q18 WeakPolarHBondContact O-CB 3.42Å; S14-Q18 PolarHBondContact O-N 3.09Å |
| 15 | S | 71 | Confident | 69.5 | Low | 53 Ų | 53 | 112.7 Ų | 112.7 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.3 | -45.8 | 175.7 | 44.9 | 0 | 0 | 0 | 0 | 111.8 | L11 L12 T17 Q18 T19 | L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 2.62Å; L11-S15 PolarHBondContact O-OG 2.97Å; L12-S15 WeakPolarHBondContact CA-OG 3.46Å; L12-S15 PolarHBondContact O-OG 2.87Å; L12-S15 VanDerWaalsContact O-OG 3.06Å; S15-T17 PolarHBondContact O-N 2.91Å; S15-Q18 WeakPolarHBondContact O-CB 3.43Å; S15-Q18 PolarHBondContact O-N 3.25Å; S15-Q18 VanDerWaalsContact O-N 3.12Å; S15-T19 PolarHBondContact O-N 2.98Å; S15-T19 PolarHBondContact O-OG1 2.98Å |
| 16 | L | 73.2 | Confident | 69.7 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.5 | -39.2 | 175.2 | -71.3 | 170.9 | 0 | 0 | 0 | 113.2 | L12 Q18 R20 | L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.05Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-R20 VanDerWaalsContact O-CB 3.28Å; L16-R20 WeakPolarHBondContact O-CB 3.15Å; L16-R20 PolarHBondContact O-N 3.38Å |
| 17 | T | 73.4 | Confident | 69.7 | Low | 75 Ų | 75 | 107.8 Ų | 107.8 | 46% | 0.46 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.3 | -34.5 | 174.5 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | R13 S14 S15 R21 | R13-T17 WeakPolarHBondContact O-CG2 3.29Å; R13-T17 PolarHBondContact O-N 3.01Å; R13-T17 PolarHBondContact O-OG1 3.12Å; R13-T17 VanDerWaalsContact O-OG1 3.09Å; S14-T17 WeakPolarHBondContact CA-OG1 3.28Å; S14-T17 PolarHBondContact O-N 2.72Å; S14-T17 PolarHBondContact O-OG1 3.08Å; S15-T17 PolarHBondContact O-N 2.91Å; T17-R21 VanDerWaalsContact O-CG 3.29Å; T17-R21 WeakPolarHBondContact O-CG 3.5Å; T17-R21 PolarHBondContact O-N 2.86Å; T17-R21 VanDerWaalsContact O-N 3.08Å |
| 18 | Q | 76.7 | Confident | 69.7 | Low | 129 Ų | 129 | 103.4 Ų | 103.4 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.9 | -46.1 | 176.5 | -167.2 | 165.7 | -39.9 | 0 | 0 | 110.8 | S14 S15 L16 R20 R21 Q22 | S14-Q18 WeakPolarHBondContact O-CB 3.42Å; S14-Q18 PolarHBondContact O-N 3.09Å; S15-Q18 WeakPolarHBondContact O-CB 3.43Å; S15-Q18 PolarHBondContact O-N 3.25Å; S15-Q18 VanDerWaalsContact O-N 3.12Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; Q18-R20 VanDerWaalsContact C-N 3.32Å; Q18-R20 PolarHBondContact O-N 2.96Å; Q18-R21 PolarHBondContact O-N 3.41Å; Q18-Q22 VanDerWaalsContact O-CG 3.32Å; Q18-Q22 WeakPolarHBondContact O-CG 3.36Å; Q18-Q22 PolarHBondContact O-N 3.4Å |
| 19 | T | 75.2 | Confident | 69.7 | Low | 76 Ų | 76 | 107.9 Ų | 107.9 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.8 | -40.7 | 174.9 | -43.8 | 0 | 0 | 0 | 0 | 111.6 | S15 R21 Q22 L23 | S15-T19 PolarHBondContact O-N 2.98Å; S15-T19 PolarHBondContact O-OG1 2.98Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 2.93Å; T19-Q22 PolarHBondContact O-N 3.01Å; T19-L23 HydrophobicContact CG2-CD1 4.29Å; T19-L23 WeakPolarHBondContact O-CG 3.41Å; T19-L23 PolarHBondContact O-N 3.44Å |
| 20 | R | 76.1 | Confident | 69.6 | Low | 203 Ų | 203 | 103.9 Ų | 103.9 | 77% | 0.766 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -36.5 | 177 | -162.1 | 175.8 | -167.6 | 154.6 | 2.5 | 112.6 | L16 Q18 A24 | L16-R20 VanDerWaalsContact O-CB 3.28Å; L16-R20 WeakPolarHBondContact O-CB 3.15Å; L16-R20 PolarHBondContact O-N 3.38Å; Q18-R20 VanDerWaalsContact C-N 3.32Å; Q18-R20 PolarHBondContact O-N 2.96Å; R20-A24 WeakPolarHBondContact O-CB 3.32Å; R20-A24 PolarHBondContact O-N 3.27Å |
| 21 | R | 76.7 | Confident | 69.6 | Low | 188 Ų | 188 | 99.3 Ų | 99.3 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.8 | -41 | 173.4 | -74.2 | 173.2 | -177.5 | 178.3 | 1.4 | 112 | T17 Q18 T19 A24 A25 | T17-R21 VanDerWaalsContact O-CG 3.29Å; T17-R21 WeakPolarHBondContact O-CG 3.5Å; T17-R21 PolarHBondContact O-N 2.86Å; T17-R21 VanDerWaalsContact O-N 3.08Å; Q18-R21 PolarHBondContact O-N 3.41Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 2.93Å; R21-A24 PolarHBondContact O-N 3.19Å; R21-A25 WeakPolarHBondContact O-CB 3.37Å; R21-A25 PolarHBondContact O-N 3.45Å |
| 22 | Q | 76.7 | Confident | 69.7 | Low | 132 Ų | 132 | 98.5 Ų | 98.5 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 176.2 | -66.8 | -67.1 | -32.2 | 0 | 0 | 111.6 | Q18 T19 A25 A26 | Q18-Q22 VanDerWaalsContact O-CG 3.32Å; Q18-Q22 WeakPolarHBondContact O-CG 3.36Å; Q18-Q22 PolarHBondContact O-N 3.4Å; T19-Q22 PolarHBondContact O-N 3.01Å; Q22-A25 PolarHBondContact O-N 2.93Å; Q22-A26 WeakPolarHBondContact O-CB 3.37Å; Q22-A26 PolarHBondContact O-N 3.41Å |
| 23 | L | 75.2 | Confident | 70.1 | Confident | 119 Ų | 119 | 95.7 Ų | 95.7 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 176.3 | -69.7 | 169.9 | 0 | 0 | 0 | 112.5 | T19 A26 A27 | T19-L23 HydrophobicContact CG2-CD1 4.29Å; T19-L23 WeakPolarHBondContact O-CG 3.41Å; T19-L23 PolarHBondContact O-N 3.44Å; L23-A26 PolarHBondContact O-N 2.94Å; L23-A27 WeakPolarHBondContact O-CB 3.34Å; L23-A27 PolarHBondContact O-N 2.94Å |
| 24 | A | 70.9 | Confident | 71.1 | Confident | 65 Ų | 65 | 90 Ų | 90 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R20 R21 A27 G28 | R20-A24 WeakPolarHBondContact O-CB 3.32Å; R20-A24 PolarHBondContact O-N 3.27Å; R21-A24 PolarHBondContact O-N 3.19Å; A24-A27 PolarHBondContact O-N 3.37Å; A24-G28 PolarHBondContact O-N 2.91Å |
| 25 | A | 67 | Low | 71.9 | Confident | 58 Ų | 58 | 93.7 Ų | 93.7 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | R21 Q22 G28 H29 | R21-A25 WeakPolarHBondContact O-CB 3.37Å; R21-A25 PolarHBondContact O-N 3.45Å; Q22-A25 PolarHBondContact O-N 2.93Å; A25-G28 PolarHBondContact O-N 3Å; A25-H29 PolarHBondContact O-N 3.32Å; A25-H29 VanDerWaalsContact O-N 3.08Å |
| 26 | A | 64.3 | Low | 72.9 | Confident | 61 Ų | 61 | 94.9 Ų | 94.9 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q22 L23 G28 H29 G30 | Q22-A26 WeakPolarHBondContact O-CB 3.37Å; Q22-A26 PolarHBondContact O-N 3.41Å; L23-A26 PolarHBondContact O-N 2.94Å; A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.49Å; A26-H29 PolarHBondContact O-N 3.29Å; A26-G30 PolarHBondContact O-N 3.08Å |
| 27 | A | 62.2 | Low | 73.8 | Confident | 72 Ų | 72 | 97.3 Ų | 97.3 | 60% | 0.595 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L23 A24 G30 G31 | L23-A27 WeakPolarHBondContact O-CB 3.34Å; L23-A27 PolarHBondContact O-N 2.94Å; A24-A27 PolarHBondContact O-N 3.37Å; A27-G30 PolarHBondContact O-N 3.29Å; A27-G31 PolarHBondContact O-N 3.44Å |
| 28 | G | 60.4 | Low | 74.7 | Confident | 54 Ų | 54 | 100.2 Ų | 100.2 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -38 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A24 A25 A26 | A24-G28 PolarHBondContact O-N 2.91Å; A25-G28 PolarHBondContact O-N 3Å; A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.49Å |
| 29 | H | 60.9 | Low | 75.6 | Confident | 153 Ų | 153 | 99.2 Ų | 99.2 | 71% | 0.708 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -74 | -25.4 | 173.3 | -92.9 | 62.6 | 0 | 0 | 0 | 113.6 | A25 A26 S33 | A25-H29 PolarHBondContact O-N 3.32Å; A25-H29 VanDerWaalsContact O-N 3.08Å; A26-H29 PolarHBondContact O-N 3.29Å; H29-S33 VanDerWaalsContact O-CB 3.3Å; H29-S33 WeakPolarHBondContact O-CB 3.46Å; H29-S33 PolarHBondContact O-N 2.87Å; H29-S33 PolarHBondContact O-OG 3.07Å |
| 30 | G | 60.5 | Low | 76.6 | Confident | 34 Ų | 34 | 99.1 Ų | 99.1 | 35% | 0.351 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A26 A27 S33 A34 | A26-G30 PolarHBondContact O-N 3.08Å; A27-G30 PolarHBondContact O-N 3.29Å; G30-S33 VanDerWaalsContact CA-OG 3.31Å; G30-S33 WeakPolarHBondContact CA-OG 3.4Å; G30-S33 PolarHBondContact O-OG 3.01Å; G30-A34 WeakPolarHBondContact O-CB 3.31Å; G30-A34 PolarHBondContact O-N 2.92Å |
| 31 | G | 66.3 | Low | 77.6 | Confident | 41 Ų | 41 | 92.6 Ų | 92.6 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.6 | -34.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A27 K35 | A27-G31 PolarHBondContact O-N 3.44Å; G31-K35 WeakPolarHBondContact O-CG 3.3Å |
| 32 | D | 72.2 | Confident | 78.6 | Confident | 103 Ų | 103 | 89.9 Ų | 89.9 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -80 | -40 | 177.4 | -151 | 33.6 | 0 | 0 | 0 | 111.5 | A34 K35 T36 | D32-A34 PolarHBondContact O-N 3.01Å; D32-K35 WeakPolarHBondContact O-CB 3.44Å; D32-K35 PolarHBondContact O-N 3.04Å; D32-K35 VanDerWaalsContact O-N 3.11Å; D32-T36 WeakPolarHBondContact O-CG2 3.46Å; D32-T36 PolarHBondContact O-N 3.4Å |
| 33 | S | 78.8 | Confident | 79.5 | Confident | 47 Ų | 47 | 88.1 Ų | 88.1 | 33% | 0.329 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.1 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | H29 G30 K35 T36 W37 | H29-S33 VanDerWaalsContact O-CB 3.3Å; H29-S33 WeakPolarHBondContact O-CB 3.46Å; H29-S33 PolarHBondContact O-N 2.87Å; H29-S33 PolarHBondContact O-OG 3.07Å; G30-S33 VanDerWaalsContact CA-OG 3.31Å; G30-S33 WeakPolarHBondContact CA-OG 3.4Å; G30-S33 PolarHBondContact O-OG 3.01Å; S33-K35 PolarHBondContact O-N 2.67Å; S33-T36 WeakPolarHBondContact CA-OG1 3.35Å; S33-T36 PolarHBondContact O-N 2.96Å; S33-T36 VanDerWaalsContact O-N 3.07Å; S33-T36 PolarHBondContact O-OG1 3.47Å; S33-W37 PolarHBondContact O-N 3.21Å |
| 34 | A | 85.7 | Confident | 80.6 | Confident | 57 Ų | 57 | 87.7 Ų | 87.7 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.8 | -34.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | G30 D32 K38 | G30-A34 WeakPolarHBondContact O-CB 3.31Å; G30-A34 PolarHBondContact O-N 2.92Å; D32-A34 PolarHBondContact O-N 3.01Å; A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 PolarHBondContact O-N 3.11Å; A34-K38 VanDerWaalsContact O-N 3.11Å |
| 35 | K | 86.6 | Confident | 81.8 | Confident | 134 Ų | 134 | 86.7 Ų | 86.7 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -44.1 | 174.4 | -66.9 | 172.9 | -173.8 | 175.7 | 0 | 111.3 | G31 D32 S33 W37 K38 I39 | G31-K35 WeakPolarHBondContact O-CG 3.3Å; D32-K35 WeakPolarHBondContact O-CB 3.44Å; D32-K35 PolarHBondContact O-N 3.04Å; D32-K35 VanDerWaalsContact O-N 3.11Å; S33-K35 PolarHBondContact O-N 2.67Å; K35-W37 PolarHBondContact O-N 3.47Å; K35-K38 PolarHBondContact O-N 3.25Å; K35-I39 WeakPolarHBondContact O-CG1 3.47Å; K35-I39 PolarHBondContact O-N 2.93Å |
| 36 | T | 91 | Very high | 83.3 | Confident | 78 Ų | 78 | 88.4 Ų | 88.4 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 176.9 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | D32 S33 K38 I39 L40 | D32-T36 WeakPolarHBondContact O-CG2 3.46Å; D32-T36 PolarHBondContact O-N 3.4Å; S33-T36 WeakPolarHBondContact CA-OG1 3.35Å; S33-T36 PolarHBondContact O-N 2.96Å; S33-T36 VanDerWaalsContact O-N 3.07Å; S33-T36 PolarHBondContact O-OG1 3.47Å; T36-K38 PolarHBondContact O-N 3.11Å; T36-I39 PolarHBondContact O-N 2.96Å; T36-L40 WeakPolarHBondContact O-CB 3.32Å; T36-L40 PolarHBondContact O-N 2.99Å |
| 37 | W | 92.8 | Very high | 84.9 | Confident | 165 Ų | 165 | 88.4 Ų | 88.4 | 63% | 0.625 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 176.6 | -71.1 | 110.2 | 0 | 0 | 0 | 112.6 | S33 K35 L40 T41 | S33-W37 PolarHBondContact O-N 3.21Å; K35-W37 PolarHBondContact O-N 3.47Å; W37-L40 HydrophobicContact CE3-CD2 4.02Å; W37-L40 HydrophobicContact CZ3-CD2 4Å; W37-L40 PolarHBondContact O-N 2.87Å; W37-T41 WeakPolarHBondContact O-CB 3.36Å; W37-T41 PolarHBondContact O-N 3.33Å; W37-T41 PolarHBondContact O-OG1 3.47Å |
| 38 | K | 93.5 | Very high | 86.6 | Confident | 136 Ų | 136 | 86.6 Ų | 86.6 | 59% | 0.591 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.7 | -48.6 | 174.6 | -171.3 | 175.8 | -67 | 179.9 | 0 | 110.9 | A34 K35 T36 L40 T41 F42 | A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 PolarHBondContact O-N 3.11Å; A34-K38 VanDerWaalsContact O-N 3.11Å; K35-K38 PolarHBondContact O-N 3.25Å; T36-K38 PolarHBondContact O-N 3.11Å; K38-L40 PolarHBondContact O-N 3.37Å; K38-T41 PolarHBondContact O-N 2.81Å; K38-F42 HydrophobicContact CD-CE2 4.39Å; K38-F42 HydrophobicContact CG-CD2 3.7Å; K38-F42 HydrophobicContact CG-CE2 3.69Å; K38-F42 WeakPolarHBondContact O-CD2 3.43Å; K38-F42 PolarHBondContact O-N 3.28Å |
| 39 | I | 95.3 | Very high | 88.4 | Confident | 108 Ų | 108 | 88.2 Ų | 88.2 | 55% | 0.554 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.2 | -47.3 | 177.6 | -67.5 | 166.5 | 0 | 0 | 0 | 110.1 | K35 T36 T41 F42 V43 | K35-I39 WeakPolarHBondContact O-CG1 3.47Å; K35-I39 PolarHBondContact O-N 2.93Å; T36-I39 PolarHBondContact O-N 2.96Å; I39-T41 VanDerWaalsContact C-N 3.33Å; I39-T41 PolarHBondContact O-N 3.48Å; I39-F42 PolarHBondContact O-N 3.33Å; I39-V43 HydrophobicContact CG2-CB 4.42Å; I39-V43 HydrophobicContact CG2-CG2 3.95Å; I39-V43 VanDerWaalsContact O-CB 3.22Å; I39-V43 WeakPolarHBondContact O-CB 3.33Å; I39-V43 WeakPolarHBondContact O-CG2 3.22Å; I39-V43 PolarHBondContact O-N 3.04Å |
| 40 | L | 96.6 | Very high | 90.1 | Very high | 74 Ų | 74 | 83.7 Ų | 83.7 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 178.9 | -174.4 | 64.3 | 0 | 0 | 0 | 111.9 | T36 W37 K38 I44 A45 | T36-L40 WeakPolarHBondContact O-CB 3.32Å; T36-L40 PolarHBondContact O-N 2.99Å; W37-L40 HydrophobicContact CE3-CD2 4.02Å; W37-L40 HydrophobicContact CZ3-CD2 4Å; W37-L40 PolarHBondContact O-N 2.87Å; K38-L40 PolarHBondContact O-N 3.37Å; L40-I44 HydrophobicContact CD1-CB 3.95Å; L40-I44 HydrophobicContact CD1-CD1 3.4Å; L40-I44 HydrophobicContact CD1-CG1 4.13Å; L40-I44 HydrophobicContact CD1-CG2 4.35Å; L40-I44 WeakPolarHBondContact O-CA 3.35Å; L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 PolarHBondContact O-N 3.02Å; L40-A45 PolarHBondContact O-N 2.95Å |
| 41 | T | 96.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 87 Ų | 87 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -63 | -47.8 | 177.9 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | W37 K38 I39 A45 L46 | W37-T41 WeakPolarHBondContact O-CB 3.36Å; W37-T41 PolarHBondContact O-N 3.33Å; W37-T41 PolarHBondContact O-OG1 3.47Å; K38-T41 PolarHBondContact O-N 2.81Å; I39-T41 VanDerWaalsContact C-N 3.33Å; I39-T41 PolarHBondContact O-N 3.48Å; T41-A45 WeakPolarHBondContact O-CB 3.18Å; T41-A45 PolarHBondContact O-N 3.31Å; T41-L46 WeakPolarHBondContact O-CG 3.41Å; T41-L46 PolarHBondContact O-N 2.91Å |
| 42 | F | 96.8 | Very high | 93.4 | Very high | 131 Ų | 131 | 89 Ų | 89 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | I | π-helix | trans | -77.5 | -33.4 | -175.6 | -75.8 | -71.3 | 0 | 0 | 0 | 113.9 | K38 I39 L46 P47 | K38-F42 HydrophobicContact CD-CE2 4.39Å; K38-F42 HydrophobicContact CG-CD2 3.7Å; K38-F42 HydrophobicContact CG-CE2 3.69Å; K38-F42 WeakPolarHBondContact O-CD2 3.43Å; K38-F42 PolarHBondContact O-N 3.28Å; I39-F42 PolarHBondContact O-N 3.33Å; F42-L46 HydrophobicContact CD1-CD1 3.47Å; F42-L46 VanDerWaalsContact CD1-CD1 3.47Å; F42-L46 HydrophobicContact CE1-CD1 3.85Å; F42-L46 HydrophobicContact CG-CD1 4.4Å; F42-P47 WeakPolarHBondContact O-CD 3.4Å |
| 43 | V | 96.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 89.9 Ų | 89.9 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | I | π-helix | trans | -94.6 | -28 | -173.6 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | I39 P47 | I39-V43 HydrophobicContact CG2-CB 4.42Å; I39-V43 HydrophobicContact CG2-CG2 3.95Å; I39-V43 VanDerWaalsContact O-CB 3.22Å; I39-V43 WeakPolarHBondContact O-CB 3.33Å; I39-V43 WeakPolarHBondContact O-CG2 3.22Å; I39-V43 PolarHBondContact O-N 3.04Å; V43-P47 WeakPolarHBondContact O-CG 3.32Å |
| 44 | I | 97.2 | Very high | 95.5 | Very high | 110 Ų | 110 | 92.5 Ų | 92.5 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | I | π-helix | trans | -116.6 | -54 | -176.4 | -65.1 | 170.9 | 0 | 0 | 0 | 111.1 | L40 G48 | L40-I44 HydrophobicContact CD1-CB 3.95Å; L40-I44 HydrophobicContact CD1-CD1 3.4Å; L40-I44 HydrophobicContact CD1-CG1 4.13Å; L40-I44 HydrophobicContact CD1-CG2 4.35Å; L40-I44 WeakPolarHBondContact O-CA 3.35Å; L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 PolarHBondContact O-N 3.02Å; I44-G48 PolarHBondContact O-N 2.87Å |
| 45 | A | 97.8 | Very high | 96 | Very high | 45 Ų | 45 | 93.5 Ų | 93.5 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | I | π-helix | trans | -66.6 | -48.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L40 T41 G48 V49 | L40-A45 PolarHBondContact O-N 2.95Å; T41-A45 WeakPolarHBondContact O-CB 3.18Å; T41-A45 PolarHBondContact O-N 3.31Å; A45-G48 PolarHBondContact O-N 2.91Å; A45-V49 VanDerWaalsContact O-CG2 3.32Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.32Å |
| 46 | L | 97.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 90.9 Ų | 90.9 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 179.7 | -69.3 | -178.6 | 0 | 0 | 0 | 112.7 | T41 F42 G48 V49 A50 | T41-L46 WeakPolarHBondContact O-CG 3.41Å; T41-L46 PolarHBondContact O-N 2.91Å; F42-L46 HydrophobicContact CD1-CD1 3.47Å; F42-L46 VanDerWaalsContact CD1-CD1 3.47Å; F42-L46 HydrophobicContact CE1-CD1 3.85Å; F42-L46 HydrophobicContact CG-CD1 4.4Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-G48 PolarHBondContact O-N 3.43Å; L46-V49 PolarHBondContact O-N 2.92Å; L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 3.41Å |
| 47 | P | 97.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 91.7 Ų | 91.7 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 173.9 | -27.9 | 39.8 | 0 | 0 | 0 | 112.9 | F42 V43 A50 V51 | F42-P47 WeakPolarHBondContact O-CD 3.4Å; V43-P47 WeakPolarHBondContact O-CG 3.32Å; P47-A50 PolarHBondContact O-N 3.07Å; P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.01Å |
| 48 | G | 97.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 88.7 Ų | 88.7 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I44 A45 L46 A50 V51 C52 | I44-G48 PolarHBondContact O-N 2.87Å; A45-G48 PolarHBondContact O-N 2.91Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-G48 PolarHBondContact O-N 3.43Å; G48-A50 VanDerWaalsContact C-N 3.32Å; G48-A50 PolarHBondContact O-N 3.32Å; G48-V51 PolarHBondContact O-N 3.45Å; G48-C52 PolarHBondContact O-N 3.26Å; G48-C52 VanDerWaalsContact O-N 3.07Å; G48-C52 PolarHBondContact O-SG 3.45Å |
| 49 | V | 98.1 | Very high | 96.2 | Very high | 87 Ų | 87 | 87.1 Ų | 87.1 | 53% | 0.527 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111 | A45 L46 V51 C52 M53 | A45-V49 VanDerWaalsContact O-CG2 3.32Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.32Å; L46-V49 PolarHBondContact O-N 2.92Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 2.81Å; V49-C52 PolarHBondContact O-N 3.29Å; V49-M53 VanDerWaalsContact O-CB 3.27Å; V49-M53 WeakPolarHBondContact O-CB 3.34Å; V49-M53 PolarHBondContact O-N 3.44Å |
| 50 | A | 97.9 | Very high | 95.9 | Very high | 59 Ų | 59 | 88.2 Ų | 88.2 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L46 P47 G48 M53 L54 | L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 3.41Å; P47-A50 PolarHBondContact O-N 3.07Å; G48-A50 VanDerWaalsContact C-N 3.32Å; G48-A50 PolarHBondContact O-N 3.32Å; A50-M53 PolarHBondContact O-N 2.89Å; A50-L54 WeakPolarHBondContact O-CB 3.47Å; A50-L54 PolarHBondContact O-N 3.45Å |
| 51 | V | 97.9 | Very high | 95.2 | Very high | 104 Ų | 104 | 91 Ų | 91 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -45.4 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | P47 G48 V49 M53 L54 N55 | P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.01Å; G48-V51 PolarHBondContact O-N 3.45Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 2.81Å; V51-M53 VanDerWaalsContact C-N 3.35Å; V51-M53 PolarHBondContact O-N 2.97Å; V51-L54 PolarHBondContact O-N 2.97Å; V51-N55 PolarHBondContact O-N 3Å |
| 52 | C | 97.2 | Very high | 94.5 | Very high | 82 Ų | 82 | 95.3 Ų | 95.3 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 176.5 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | G48 V49 L54 N55 T56 | G48-C52 PolarHBondContact O-N 3.26Å; G48-C52 VanDerWaalsContact O-N 3.07Å; G48-C52 PolarHBondContact O-SG 3.45Å; V49-C52 PolarHBondContact O-N 3.29Å; C52-L54 VanDerWaalsContact C-N 3.35Å; C52-L54 PolarHBondContact O-N 3.2Å; C52-N55 WeakPolarHBondContact O-CB 3.5Å; C52-N55 PolarHBondContact O-N 3.47Å; C52-T56 PolarHBondContact O-N 2.91Å; C52-T56 PolarHBondContact O-OG1 3.44Å |
| 53 | M | 97.7 | Very high | 93.2 | Very high | 121 Ų | 121 | 95.2 Ų | 95.2 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 177.4 | -171.3 | 68.9 | 71.5 | 0 | 0 | 111.5 | V49 A50 V51 N55 T56 F57 | V49-M53 VanDerWaalsContact O-CB 3.27Å; V49-M53 WeakPolarHBondContact O-CB 3.34Å; V49-M53 PolarHBondContact O-N 3.44Å; A50-M53 PolarHBondContact O-N 2.89Å; V51-M53 VanDerWaalsContact C-N 3.35Å; V51-M53 PolarHBondContact O-N 2.97Å; M53-N55 VanDerWaalsContact C-N 3.35Å; M53-T56 WeakPolarHBondContact CA-OG1 3.23Å; M53-T56 PolarHBondContact O-N 3.48Å; M53-T56 PolarHBondContact O-OG1 3.15Å; M53-F57 VanDerWaalsContact O-CB 3.23Å; M53-F57 WeakPolarHBondContact O-CB 3.43Å; M53-F57 PolarHBondContact O-N 3.21Å |
| 54 | L | 96.6 | Very high | 91.4 | Very high | 102 Ų | 102 | 93.8 Ų | 93.8 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 175.9 | -178 | 62.7 | 0 | 0 | 0 | 111.3 | A50 V51 C52 F57 L58 | A50-L54 WeakPolarHBondContact O-CB 3.47Å; A50-L54 PolarHBondContact O-N 3.45Å; V51-L54 PolarHBondContact O-N 2.97Å; C52-L54 VanDerWaalsContact C-N 3.35Å; C52-L54 PolarHBondContact O-N 3.2Å; L54-F57 PolarHBondContact O-N 2.9Å; L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.25Å; L54-L58 HydrophobicContact CG-CD1 4.11Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.28Å |
| 55 | N | 96.2 | Very high | 89.4 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 42% | 0.422 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 177.3 | -176.1 | -105.5 | 0 | 0 | 0 | 112.1 | V51 C52 M53 L58 K59 | V51-N55 PolarHBondContact O-N 3Å; C52-N55 WeakPolarHBondContact O-CB 3.5Å; C52-N55 PolarHBondContact O-N 3.47Å; M53-N55 VanDerWaalsContact C-N 3.35Å; N55-L58 PolarHBondContact O-N 3.34Å; N55-K59 WeakPolarHBondContact O-CG 3.2Å; N55-K59 PolarHBondContact O-N 3.03Å; N55-K59 VanDerWaalsContact O-N 3.1Å; N55-K59 WeakPolarHBondContact OD1-CE 3.47Å; N55-K59 PolarHBondContact OD1-NZ 2.96Å |
| 56 | T | 94.1 | Very high | 87.7 | Confident | 78 Ų | 78 | 100.2 Ų | 100.2 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 179.1 | 52 | 0 | 0 | 0 | 0 | 111.4 | C52 M53 K59 E60 | C52-T56 PolarHBondContact O-N 2.91Å; C52-T56 PolarHBondContact O-OG1 3.44Å; M53-T56 WeakPolarHBondContact CA-OG1 3.23Å; M53-T56 PolarHBondContact O-N 3.48Å; M53-T56 PolarHBondContact O-OG1 3.15Å; T56-K59 PolarHBondContact O-N 3.47Å; T56-E60 WeakPolarHBondContact O-CB 3.36Å; T56-E60 PolarHBondContact O-N 3.1Å |
| 57 | F | 93.9 | Very high | 86.3 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.9 | -179.4 | -103.7 | 0 | 0 | 0 | 112.7 | M53 L54 E60 K61 | M53-F57 VanDerWaalsContact O-CB 3.23Å; M53-F57 WeakPolarHBondContact O-CB 3.43Å; M53-F57 PolarHBondContact O-N 3.21Å; L54-F57 PolarHBondContact O-N 2.9Å; F57-E60 PolarHBondContact O-N 3.06Å; F57-K61 HydrophobicContact CE1-CD 3.93Å; F57-K61 HydrophobicContact CZ-CD 4.12Å; F57-K61 PolarHBondContact O-N 3.19Å; F57-K61 VanDerWaalsContact O-N 3.12Å |
| 58 | L | 93.3 | Very high | 85.2 | Confident | 102 Ų | 102 | 97.8 Ų | 97.8 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175.9 | -70.3 | 172 | 0 | 0 | 0 | 111.5 | L54 N55 K61 E62 | L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.25Å; L54-L58 HydrophobicContact CG-CD1 4.11Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.28Å; N55-L58 PolarHBondContact O-N 3.34Å; L58-K61 PolarHBondContact O-N 3.5Å; L58-E62 PolarHBondContact O-N 3.1Å; L58-E62 VanDerWaalsContact O-N 3.14Å |
| 59 | K | 88.7 | Confident | 84.3 | Confident | 102 Ų | 102 | 100.8 Ų | 100.8 | 44% | 0.443 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 175.9 | -76.2 | 175.4 | 172.6 | 162.5 | 0 | 112.8 | N55 T56 K61 E62 H63 | N55-K59 WeakPolarHBondContact O-CG 3.2Å; N55-K59 PolarHBondContact O-N 3.03Å; N55-K59 VanDerWaalsContact O-N 3.1Å; N55-K59 WeakPolarHBondContact OD1-CE 3.47Å; N55-K59 PolarHBondContact OD1-NZ 2.96Å; T56-K59 PolarHBondContact O-N 3.47Å; K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 2.82Å; K59-E62 PolarHBondContact O-N 3.12Å; K59-E62 VanDerWaalsContact O-N 3.13Å; K59-H63 WeakPolarHBondContact O-CB 3.38Å; K59-H63 PolarHBondContact O-CD2 3.11Å; K59-H63 PolarHBondContact O-N 3.42Å |
| 60 | E | 86.9 | Confident | 83.6 | Confident | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.4 | -41 | 176 | -176.7 | -174.6 | -172.6 | 0 | 0 | 111.1 | T56 F57 E62 H63 S64 | T56-E60 WeakPolarHBondContact O-CB 3.36Å; T56-E60 PolarHBondContact O-N 3.1Å; F57-E60 PolarHBondContact O-N 3.06Å; E60-E62 VanDerWaalsContact C-N 3.32Å; E60-E62 PolarHBondContact O-N 3Å; E60-H63 PolarHBondContact O-N 3.5Å; E60-S64 PolarHBondContact O-N 3.46Å |
| 61 | K | 83.3 | Confident | 83.1 | Confident | 133 Ų | 133 | 104.9 Ų | 104.9 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.7 | -35.7 | 173.8 | -79.1 | -169.8 | 156.6 | -172.9 | 0 | 113.1 | F57 L58 K59 S64 | F57-K61 HydrophobicContact CE1-CD 3.93Å; F57-K61 HydrophobicContact CZ-CD 4.12Å; F57-K61 PolarHBondContact O-N 3.19Å; F57-K61 VanDerWaalsContact O-N 3.12Å; L58-K61 PolarHBondContact O-N 3.5Å; K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 2.82Å; K61-S64 WeakPolarHBondContact O-CB 3.38Å; K61-S64 PolarHBondContact O-OG 3.32Å |
| 62 | E | 81.7 | Confident | 82.7 | Confident | 155 Ų | 155 | 102.7 Ų | 102.7 | 72% | 0.724 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.7 | -37.9 | 174.9 | -167.4 | 174.2 | -179.1 | 0 | 0 | 111.6 | L58 K59 E60 S64 | L58-E62 PolarHBondContact O-N 3.1Å; L58-E62 VanDerWaalsContact O-N 3.14Å; K59-E62 PolarHBondContact O-N 3.12Å; K59-E62 VanDerWaalsContact O-N 3.13Å; E60-E62 VanDerWaalsContact C-N 3.32Å; E60-E62 PolarHBondContact O-N 3Å; E62-S64 PolarHBondContact O-N 3.32Å; E62-S64 VanDerWaalsContact O-N 3.16Å |
| 63 | H | 69.6 | Low | 82.3 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 10.1 | 178 | -72.1 | -50.1 | 0 | 0 | 0 | 115.1 | K59 E60 H65 | K59-H63 WeakPolarHBondContact O-CB 3.38Å; K59-H63 PolarHBondContact O-CD2 3.11Å; K59-H63 PolarHBondContact O-N 3.42Å; E60-H63 PolarHBondContact O-N 3.5Å; H63-H65 PolarHBondContact O-N 2.99Å |
| 64 | S | 57.4 | Low | 82 | Confident | 65 Ų | 65 | 103.5 Ų | 103.5 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -80.7 | -7.1 | -163.2 | 56.5 | 0 | 0 | 0 | 0 | 116.2 | E60 K61 E62 | E60-S64 PolarHBondContact O-N 3.46Å; K61-S64 WeakPolarHBondContact O-CB 3.38Å; K61-S64 PolarHBondContact O-OG 3.32Å; E62-S64 PolarHBondContact O-N 3.32Å; E62-S64 VanDerWaalsContact O-N 3.16Å |
| 65 | H | 55.5 | Low | 81.7 | Confident | 166 Ų | 166 | 105 Ų | 105 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | trans | -149.5 | 19.4 | -172.8 | -68.2 | -75.1 | 0 | 0 | 0 | 116.1 | H63 A67 | H63-H65 PolarHBondContact O-N 2.99Å; H65-A67 PolarHBondContact O-N 3.41Å | ||
| 66 | D | 63.3 | Low | 81.5 | Confident | 123 Ų | 123 | 107.3 Ų | 107.3 | 66% | 0.658 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 119.9 | 173.1 | -66.9 | -30.2 | 0 | 0 | 0 | 108.7 | ||
| 67 | A | 68.7 | Low | 81.4 | Confident | 81 Ų | 81 | 106.9 Ų | 106.9 | 67% | 0.669 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 138.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | H65 | H65-A67 PolarHBondContact O-N 3.41Š|
| 68 | P | 72.8 | Confident | 81.3 | Confident | 22 Ų | 22 | 106.1 Ų | 106.1 | 14% | 0.143 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 141.6 | 177.4 | 22 | -32.3 | 0 | 0 | 0 | 109.6 | H98 Y106 | P68-H98 WeakPolarHBondContact CB-O 3.42Å; P68-H98 WeakPolarHBondContact CG-O 3.48Å; P68-Y106 HydrophobicContact CB-CD1 4.34Å; P68-Y106 HydrophobicContact CB-CE1 3.7Å; P68-Y106 HydrophobicContact CB-CE2 4.28Å; P68-Y106 HydrophobicContact CG-CE1 4.35Å |
| 69 | P | 80 | Confident | 81.3 | Confident | 98 Ų | 98 | 106.3 Ų | 106.3 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 153.1 | 179.6 | 26.6 | -34.7 | 0 | 0 | 0 | 110.1 | F71 Y106 | P69-F71 PolarHBondContact O-N 3.35Å; P69-Y106 VanDerWaalsContact O-CE2 3.32Å; P69-Y106 WeakPolarHBondContact O-CE2 3.33Å |
| 70 | E | 82.9 | Confident | 81.4 | Confident | 176 Ų | 176 | 105.3 Ų | 105.3 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 136.3 | 177.7 | -173.1 | -178.8 | 170 | 0 | 0 | 111.2 | V72 | E70-V72 PolarHBondContact O-N 3.23Å; E70-V72 VanDerWaalsContact O-N 3.15Å |
| 71 | F | 87.2 | Confident | 81.7 | Confident | 56 Ų | 56 | 105.8 Ų | 105.8 | 25% | 0.246 | 55% | 0.55 | C | S | . | . | trans | -71.6 | 111.2 | -180 | 177.9 | -105.8 | 0 | 0 | 0 | 110.9 | P69 P73 A101 L102 Y106 | P69-F71 PolarHBondContact O-N 3.35Å; F71-P73 HydrophobicContact CE1-CB 3.85Å; F71-P73 HydrophobicContact CE1-CG 4.35Å; F71-P73 HydrophobicContact CZ-CB 4.02Å; F71-A101 HydrophobicContact CD2-CB 3.38Å; F71-A101 HydrophobicContact CE2-CB 3.55Å; F71-L102 VanDerWaalsContact CE2-O 3.29Å; F71-L102 WeakPolarHBondContact CE2-O 3.32Å; F71-L102 WeakPolarHBondContact CZ-O 3.05Å; F71-Y106 HydrophobicContact CB-CD2 3.9Å; F71-Y106 HydrophobicContact CB-CE2 4.02Å; F71-Y106 HydrophobicContact CD2-CE2 4.46Å | ||
| 72 | V | 88.9 | Confident | 82.2 | Confident | 58 Ų | 58 | 107.7 Ų | 107.7 | 35% | 0.352 | 56% | 0.558 | S | S | . | * | trans | -109.8 | 120.1 | 169 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | E70 Y74 R78 | E70-V72 PolarHBondContact O-N 3.23Å; E70-V72 VanDerWaalsContact O-N 3.15Å; V72-Y74 HydrophobicContact CB-CD2 4.02Å; V72-Y74 HydrophobicContact CB-CE2 3.59Å; V72-Y74 HydrophobicContact CG1-CD1 4.15Å; V72-Y74 HydrophobicContact CG1-CD2 3.99Å; V72-Y74 HydrophobicContact CG1-CE1 3.8Å; V72-Y74 HydrophobicContact CG1-CE2 3.65Å; V72-Y74 HydrophobicContact CG1-CG 4.24Å; V72-Y74 HydrophobicContact CG2-CE2 4.46Å; V72-Y74 WeakPolarHBondContact O-CD2 3.29Å; V72-Y74 PolarHBondContact O-N 3.15Å; V72-R78 PolarHBondContact O-NH1 2.86Å | ||
| 73 | P | 89.8 | Confident | 82.7 | Confident | 94 Ų | 94 | 109.4 Ų | 109.4 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | trans | -78.5 | 68.6 | -178.1 | 32.3 | -35.6 | 0 | 0 | 0 | 111.2 | F71 T75 | F71-P73 HydrophobicContact CE1-CB 3.85Å; F71-P73 HydrophobicContact CE1-CG 4.35Å; F71-P73 HydrophobicContact CZ-CB 4.02Å; P73-T75 PolarHBondContact O-N 2.89Å | ||
| 74 | Y | 90.6 | Very high | 83.9 | Confident | 127 Ų | 127 | 106 Ų | 106 | 50% | 0.498 | 54% | 0.542 | S | S | . | . | trans | -62.5 | 130.7 | 173.7 | -67.4 | -69 | 0 | 0 | 0 | 111.1 | V72 H76 L77 | V72-Y74 HydrophobicContact CB-CD2 4.02Å; V72-Y74 HydrophobicContact CB-CE2 3.59Å; V72-Y74 HydrophobicContact CG1-CD1 4.15Å; V72-Y74 HydrophobicContact CG1-CD2 3.99Å; V72-Y74 HydrophobicContact CG1-CE1 3.8Å; V72-Y74 HydrophobicContact CG1-CE2 3.65Å; V72-Y74 HydrophobicContact CG1-CG 4.24Å; V72-Y74 HydrophobicContact CG2-CE2 4.46Å; V72-Y74 WeakPolarHBondContact O-CD2 3.29Å; V72-Y74 PolarHBondContact O-N 3.15Å; Y74-H76 AromaticContact CG-CE1 3.98Å; Y74-H76 PolarHBondContact O-N 3.39Å; Y74-H76 VanDerWaalsContact O-N 3.1Å; Y74-L77 HydrophobicContact CD2-CD1 3.8Å; Y74-L77 HydrophobicContact CG-CD1 4.31Å; Y74-L77 PolarHBondContact O-N 3.05Å | ||
| 75 | T | 91.1 | Very high | 85.8 | Confident | 133 Ų | 133 | 108.5 Ų | 108.5 | 82% | 0.816 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -22.8 | -175.6 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | P73 | P73-T75 PolarHBondContact O-N 2.89Š|
| 76 | H | 92.4 | Very high | 87.6 | Confident | 128 Ų | 128 | 105.5 Ų | 105.5 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -11 | 179.1 | 64.5 | -85.9 | 0 | 0 | 0 | 113.4 | Y74 | Y74-H76 AromaticContact CG-CE1 3.98Å; Y74-H76 PolarHBondContact O-N 3.39Å; Y74-H76 VanDerWaalsContact O-N 3.1Å |
| 77 | L | 92.5 | Very high | 89 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 36% | 0.356 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -100.5 | 151.7 | 179.4 | -60.5 | -178.5 | 0 | 0 | 0 | 110.5 | Y74 I79 | Y74-L77 HydrophobicContact CD2-CD1 3.8Å; Y74-L77 HydrophobicContact CG-CD1 4.31Å; Y74-L77 PolarHBondContact O-N 3.05Å; L77-I79 PolarHBondContact O-N 3.4Å |
| 78 | R | 91.8 | Very high | 90 | Very high | 81 Ų | 81 | 103.2 Ų | 103.2 | 31% | 0.306 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 53.1 | 29 | 175.2 | -51.8 | 105 | -171.3 | 176.9 | -3.8 | 114.8 | V72 R80 P103 | V72-R78 PolarHBondContact O-NH1 2.86Å; R78-R80 PolarHBondContact O-N 3.32Å; R78-P103 HydrophobicContact CB-CG 4.34Å; R78-P103 WeakPolarHBondContact O-CG 3.34Å |
| 79 | I | 91.4 | Very high | 90.9 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 54% | 0.544 | 53% | 0.53 | S | S | . | . | trans | -59.7 | 137.8 | 174.5 | -59.5 | 170.3 | 0 | 0 | 0 | 109.9 | L77 T81 | L77-I79 PolarHBondContact O-N 3.4Å; I79-T81 HydrophobicContact CG2-CG2 3.96Å | ||
| 80 | R | 91.3 | Very high | 91.5 | Very high | 81 Ų | 81 | 99.7 Ų | 99.7 | 31% | 0.306 | 51% | 0.51 | S | S | . | . | trans | -130.1 | 92.5 | 176.1 | -62.4 | -65.4 | -177.4 | -97.9 | 0.1 | 109.8 | R78 N90 P103 | R78-R80 PolarHBondContact O-N 3.32Å; R80-N90 PolarHBondContact NE-O 3.46Å; R80-N90 VanDerWaalsContact NE-O 3.11Å; R80-N90 PolarHBondContact NH2-O 3.13Å; R80-P103 HydrophobicContact CG-CG 3.9Å | ||
| 81 | T | 93.4 | Very high | 92 | Very high | 141 Ų | 141 | 94.2 Ų | 94.2 | 87% | 0.865 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -83.5 | -29.2 | 176.1 | 53 | 0 | 0 | 0 | 0 | 112.6 | I79 | I79-T81 HydrophobicContact CG2-CG2 3.96Š|
| 82 | K | 93.3 | Very high | 92.3 | Very high | 173 Ų | 173 | 94.1 Ų | 94.1 | 75% | 0.752 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -141.7 | 148.8 | 175.4 | -172.3 | 179.9 | 177.2 | -179.9 | 0 | 109.2 | ||
| 83 | R | 93.8 | Very high | 92.5 | Very high | 191 Ų | 191 | 96.8 Ų | 96.8 | 72% | 0.721 | 50% | 0.499 | S | S | * | . | trans | -66.7 | 142.9 | 173.4 | -68.2 | -178.2 | -179.2 | -101.4 | -0.1 | 111.3 | D88 G89 | R83-D88 PolarHBondContact NH1-O 3.1Å; R83-G89 WeakPolarHBondContact CA-O 3.45Å | ||
| 84 | F | 94.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 100.7 Ų | 100.7 | 26% | 0.259 | 51% | 0.507 | S | S | . | . | trans | -66.2 | 151 | 171.2 | -61.5 | -60.5 | 0 | 0 | 0 | 111.2 | W86 G89 K91 T92 | F84-W86 HydrophobicContact CB-CD2 4.16Å; F84-W86 HydrophobicContact CB-CH2 4.36Å; F84-W86 HydrophobicContact CB-CZ2 3.82Å; F84-W86 HydrophobicContact CD1-CH2 4.17Å; F84-W86 AromaticContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CG-CH2 4.48Å; F84-W86 AromaticContact CG-CZ2 3.85Å; F84-W86 HydrophobicContact CG-CZ2 3.85Å; F84-W86 PolarHBondContact O-N 3.1Å; F84-W86 VanDerWaalsContact O-N 3.15Å; F84-G89 WeakPolarHBondContact CD2-O 3.48Å; F84-G89 PolarHBondContact N-O 3.14Å; F84-G89 WeakPolarHBondContact O-CA 3.29Å; F84-K91 WeakPolarHBondContact CD2-O 3.34Å; F84-T92 HydrophobicContact CE2-CG2 4.11Å; F84-T92 HydrophobicContact CZ-CG2 4.11Å | ||
| 85 | P | 96.1 | Very high | 92.9 | Very high | 117 Ų | 117 | 96.9 Ų | 96.9 | 76% | 0.76 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -80.3 | 18 | -177.4 | 32.8 | -34.8 | 0 | 0 | 0 | 114.3 | ||
| 86 | W | 94.2 | Very high | 92.8 | Very high | 103 Ų | 103 | 94.2 Ų | 94.2 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -139.7 | 160.6 | 178.4 | 55.5 | 76.8 | 0 | 0 | 0 | 110.9 | F84 D88 G89 K91 L93 | F84-W86 HydrophobicContact CB-CD2 4.16Å; F84-W86 HydrophobicContact CB-CH2 4.36Å; F84-W86 HydrophobicContact CB-CZ2 3.82Å; F84-W86 HydrophobicContact CD1-CH2 4.17Å; F84-W86 AromaticContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CG-CH2 4.48Å; F84-W86 AromaticContact CG-CZ2 3.85Å; F84-W86 HydrophobicContact CG-CZ2 3.85Å; F84-W86 PolarHBondContact O-N 3.1Å; F84-W86 VanDerWaalsContact O-N 3.15Å; W86-D88 PolarHBondContact O-N 3.38Å; W86-G89 PolarHBondContact O-N 3.27Å; W86-K91 PolarHBondContact NE1-O 3.43Å; W86-L93 HydrophobicContact CD2-CD1 4.47Å; W86-L93 HydrophobicContact CH2-CB 4.43Å; W86-L93 HydrophobicContact CZ2-CB 3.92Å |
| 87 | G | 91.5 | Very high | 92.6 | Very high | 83 Ų | 83 | 91 Ų | 91 | 86% | 0.856 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -135 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G89 | G87-G89 VanDerWaalsContact C-N 3.26Š|
| 88 | D | 89.6 | Confident | 92.2 | Very high | 72 Ų | 72 | 92.6 Ų | 92.6 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.7 | 175.6 | 61.9 | 1.4 | 0 | 0 | 0 | 113.6 | R83 W86 N90 K91 | R83-D88 PolarHBondContact NH1-O 3.1Å; W86-D88 PolarHBondContact O-N 3.38Å; D88-N90 PolarHBondContact O-N 2.89Å; D88-N90 PolarHBondContact OD1-N 3.38Å; D88-K91 PolarHBondContact OD1-N 3.14Å; D88-K91 VanDerWaalsContact OD1-N 3.15Å; D88-K91 IonicContact OD2-NZ 2.73Å; D88-K91 PolarHBondContact OD2-NZ 3.35Å |
| 89 | G | 92.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 92 Ų | 92 | 5% | 0.052 | 48% | 0.477 | C | S | . | . | S | Bend | trans | 74.8 | 4.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R83 F84 W86 G87 | R83-G89 WeakPolarHBondContact CA-O 3.45Å; F84-G89 WeakPolarHBondContact CD2-O 3.48Å; F84-G89 PolarHBondContact N-O 3.14Å; F84-G89 WeakPolarHBondContact O-CA 3.29Å; W86-G89 PolarHBondContact O-N 3.27Å; G87-G89 VanDerWaalsContact C-N 3.26Å |
| 90 | N | 91.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 90 Ų | 90 | 22% | 0.219 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -106.4 | -33.7 | -178.8 | -161.6 | 21.3 | 0 | 0 | 0 | 112.5 | R80 D88 | R80-N90 PolarHBondContact NE-O 3.46Å; R80-N90 VanDerWaalsContact NE-O 3.11Å; R80-N90 PolarHBondContact NH2-O 3.13Å; D88-N90 PolarHBondContact O-N 2.89Å; D88-N90 PolarHBondContact OD1-N 3.38Å |
| 91 | K | 93.6 | Very high | 91.8 | Very high | 62 Ų | 62 | 86.5 Ų | 86.5 | 27% | 0.27 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -82.6 | 135.9 | -179.8 | -65.8 | 174.5 | 176.5 | 64.6 | 0 | 112.3 | F84 W86 D88 H95 L102 E107 | F84-K91 WeakPolarHBondContact CD2-O 3.34Å; W86-K91 PolarHBondContact NE1-O 3.43Å; D88-K91 PolarHBondContact OD1-N 3.14Å; D88-K91 VanDerWaalsContact OD1-N 3.15Å; D88-K91 IonicContact OD2-NZ 2.73Å; D88-K91 PolarHBondContact OD2-NZ 3.35Å; K91-H95 HydrophobicContact CB-CB 3.95Å; K91-H95 HydrophobicContact CG-CB 4.46Å; K91-L102 HydrophobicContact CG-CD2 4.22Å; K91-E107 WeakPolarHBondContact CE-OE1 3.27Å; K91-E107 WeakPolarHBondContact CE-OE2 3.47Å; K91-E107 IonicContact NZ-OE1 3.35Å; K91-E107 PolarHBondContact NZ-OE1 2.63Å; K91-E107 IonicContact NZ-OE2 3.99Å |
| 92 | T | 92.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 80.2 Ų | 80.2 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | trans | -67.3 | 163.4 | 173.4 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | F84 F94 H95 | F84-T92 HydrophobicContact CE2-CG2 4.11Å; F84-T92 HydrophobicContact CZ-CG2 4.11Å; T92-F94 VanDerWaalsContact C-N 3.27Å; T92-F94 PolarHBondContact O-N 3.36Å; T92-H95 WeakPolarHBondContact O-CB 3.47Å; T92-H95 PolarHBondContact O-N 2.81Å | ||
| 93 | L | 94.2 | Very high | 91.4 | Very high | 115 Ų | 115 | 74.8 Ų | 74.8 | 60% | 0.602 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -39.2 | -179.6 | -173 | 65.3 | 0 | 0 | 0 | 113.1 | W86 | W86-L93 HydrophobicContact CD2-CD1 4.47Å; W86-L93 HydrophobicContact CH2-CB 4.43Å; W86-L93 HydrophobicContact CZ2-CB 3.92Å |
| 94 | F | 94.6 | Very high | 91 | Very high | 176 Ų | 176 | 71.8 Ų | 71.8 | 77% | 0.772 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 55 | 175 | -56.5 | -67.7 | 0 | 0 | 0 | 110.5 | T92 N100 | T92-F94 VanDerWaalsContact C-N 3.27Å; T92-F94 PolarHBondContact O-N 3.36Å; F94-N100 PolarHBondContact O-ND2 2.73Å |
| 95 | H | 93 | Very high | 90.7 | Very high | 46 Ų | 46 | 69.4 Ų | 69.4 | 21% | 0.213 | 39% | 0.39 | C | S | . | . | trans | -73.1 | 135.5 | 176 | -172.5 | 66.5 | 0 | 0 | 0 | 111.2 | K91 T92 N100 E107 | K91-H95 HydrophobicContact CB-CB 3.95Å; K91-H95 HydrophobicContact CG-CB 4.46Å; T92-H95 WeakPolarHBondContact O-CB 3.47Å; T92-H95 PolarHBondContact O-N 2.81Å; H95-N100 PolarHBondContact CE1-O 3.16Å; H95-E107 IonicContact CD2-OE1 3.8Å; H95-E107 IonicContact CE1-OE1 3.62Å; H95-E107 IonicContact NE2-OE1 2.85Å; H95-E107 PolarHBondContact NE2-OE1 3.47Å; H95-E107 IonicContact NE2-OE2 3.51Å | ||
| 96 | N | 90.6 | Very high | 90.2 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 42% | 0.417 | 36% | 0.36 | S | S | . | . | trans | -129.5 | 111.8 | 174.1 | 177 | -8.5 | 0 | 0 | 0 | 107.3 | H98 V99 N100 | N96-H98 PolarHBondContact O-N 3.14Å; N96-H98 VanDerWaalsContact O-N 3.14Å; N96-H98 WeakPolarHBondContact OD1-CB 2.96Å; N96-H98 PolarHBondContact OD1-N 3.1Å; N96-H98 VanDerWaalsContact OD1-N 3.1Å; N96-V99 HydrophobicContact CB-CG2 3.8Å; N96-V99 PolarHBondContact O-N 2.86Å; N96-N100 PolarHBondContact N-ND2 2.85Å; N96-N100 WeakPolarHBondContact O-CB 3.3Å; N96-N100 PolarHBondContact O-N 3.18Å | ||
| 97 | S | 88.4 | Confident | 89.6 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.1 | -174.9 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 98 | H | 82.4 | Confident | 88.5 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -30 | -178 | -174.2 | -100 | 0 | 0 | 0 | 113.6 | P68 N96 | P68-H98 WeakPolarHBondContact CB-O 3.42Å; P68-H98 WeakPolarHBondContact CG-O 3.48Å; N96-H98 PolarHBondContact O-N 3.14Å; N96-H98 VanDerWaalsContact O-N 3.14Å; N96-H98 WeakPolarHBondContact OD1-CB 2.96Å; N96-H98 PolarHBondContact OD1-N 3.1Å; N96-H98 VanDerWaalsContact OD1-N 3.1Å |
| 99 | V | 86 | Confident | 86.9 | Confident | 69 Ų | 69 | 64 Ų | 64 | 42% | 0.418 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -20.4 | -170.7 | -57.6 | 0 | 0 | 0 | 0 | 114 | N96 Y106 | N96-V99 HydrophobicContact CB-CG2 3.8Å; N96-V99 PolarHBondContact O-N 2.86Å; V99-Y106 VanDerWaalsContact C-CE1 3.47Å; V99-Y106 WeakPolarHBondContact O-CE1 2.99Å; V99-Y106 PolarHBondContact O-OH 3.16Å |
| 100 | N | 90 | Very high | 84.8 | Confident | 63 Ų | 63 | 71 Ų | 71 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | trans | -105.4 | 101 | -178.9 | -63.9 | -26.2 | 0 | 0 | 0 | 110 | F94 H95 N96 | F94-N100 PolarHBondContact O-ND2 2.73Å; H95-N100 PolarHBondContact CE1-O 3.16Å; N96-N100 PolarHBondContact N-ND2 2.85Å; N96-N100 WeakPolarHBondContact O-CB 3.3Å; N96-N100 PolarHBondContact O-N 3.18Å | ||
| 101 | A | 90.2 | Very high | 82.6 | Confident | 7 Ų | 7 | 76.6 Ų | 76.6 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | trans | -68 | 142.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | F71 Y106 | F71-A101 HydrophobicContact CD2-CB 3.38Å; F71-A101 HydrophobicContact CE2-CB 3.55Å; A101-Y106 HydrophobicContact CB-CD1 4.06Å; A101-Y106 HydrophobicContact CB-CD2 3.96Å; A101-Y106 HydrophobicContact CB-CE1 4.01Å; A101-Y106 HydrophobicContact CB-CE2 3.88Å; A101-Y106 HydrophobicContact CB-CG 4.02Å | ||
| 102 | L | 90.9 | Very high | 80 | Confident | 9 Ų | 9 | 78.6 Ų | 78.6 | 5% | 0.047 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 173 | 165.1 | -68.4 | -176.3 | 0 | 0 | 0 | 110.7 | F71 K91 D104 G105 E107 | F71-L102 VanDerWaalsContact CE2-O 3.29Å; F71-L102 WeakPolarHBondContact CE2-O 3.32Å; F71-L102 WeakPolarHBondContact CZ-O 3.05Å; K91-L102 HydrophobicContact CG-CD2 4.22Å; L102-D104 WeakPolarHBondContact CB-OD1 3.37Å; L102-D104 PolarHBondContact O-N 3.38Å; L102-D104 VanDerWaalsContact O-N 3.14Å; L102-G105 PolarHBondContact N-O 3.35Å; L102-G105 PolarHBondContact O-N 3.15Å; L102-G105 VanDerWaalsContact O-N 3.1Å; L102-E107 HydrophobicContact CD1-CG 3.98Å; L102-E107 WeakPolarHBondContact CD1-OE1 3.33Å; L102-E107 HydrophobicContact CG-CG 4.34Å; L102-E107 VanDerWaalsContact CG-OE1 3.3Å; L102-E107 WeakPolarHBondContact CG-OE1 3.32Å |
| 103 | P | 88.5 | Confident | 77.7 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 38% | 0.383 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.5 | 174.9 | -24.2 | 35.2 | 0 | 0 | 0 | 114 | R78 R80 | R78-P103 HydrophobicContact CB-CG 4.34Å; R78-P103 WeakPolarHBondContact O-CG 3.34Å; R80-P103 HydrophobicContact CG-CG 3.9Å |
| 104 | D | 85.6 | Confident | 75.3 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 68% | 0.684 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6 | 179.4 | 52 | -40.6 | 0 | 0 | 0 | 114.2 | L102 | L102-D104 WeakPolarHBondContact CB-OD1 3.37Å; L102-D104 PolarHBondContact O-N 3.38Å; L102-D104 VanDerWaalsContact O-N 3.14Å |
| 105 | G | 87 | Confident | 73.1 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | 126.8 | -170 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L102 | L102-G105 PolarHBondContact N-O 3.35Å; L102-G105 PolarHBondContact O-N 3.15Å; L102-G105 VanDerWaalsContact O-N 3.1Å |
| 106 | Y | 87.4 | Confident | 70.7 | Confident | 35 Ų | 35 | 78 Ų | 78 | 14% | 0.137 | 43% | 0.426 | C | S | . | . | trans | -78.9 | 140.1 | 175.3 | -75.8 | -85.1 | 0 | 0 | 0 | 111.5 | P68 P69 F71 V99 A101 G108 H109 | P68-Y106 HydrophobicContact CB-CD1 4.34Å; P68-Y106 HydrophobicContact CB-CE1 3.7Å; P68-Y106 HydrophobicContact CB-CE2 4.28Å; P68-Y106 HydrophobicContact CG-CE1 4.35Å; P69-Y106 VanDerWaalsContact O-CE2 3.32Å; P69-Y106 WeakPolarHBondContact O-CE2 3.33Å; F71-Y106 HydrophobicContact CB-CD2 3.9Å; F71-Y106 HydrophobicContact CB-CE2 4.02Å; F71-Y106 HydrophobicContact CD2-CE2 4.46Å; V99-Y106 VanDerWaalsContact C-CE1 3.47Å; V99-Y106 WeakPolarHBondContact O-CE1 2.99Å; V99-Y106 PolarHBondContact O-OH 3.16Å; A101-Y106 HydrophobicContact CB-CD1 4.06Å; A101-Y106 HydrophobicContact CB-CD2 3.96Å; A101-Y106 HydrophobicContact CB-CE1 4.01Å; A101-Y106 HydrophobicContact CB-CE2 3.88Å; A101-Y106 HydrophobicContact CB-CG 4.02Å; Y106-G108 PolarHBondContact O-N 3.18Å; Y106-H109 WeakPolarHBondContact CB-CD2 3.44Å | ||
| 107 | E | 80.4 | Confident | 68.5 | Low | 61 Ų | 61 | 77.5 Ų | 77.5 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 119.6 | 176.1 | -66.6 | 173.5 | -156.5 | 0 | 0 | 109.5 | K91 H95 L102 | K91-E107 WeakPolarHBondContact CE-OE1 3.27Å; K91-E107 WeakPolarHBondContact CE-OE2 3.47Å; K91-E107 IonicContact NZ-OE1 3.35Å; K91-E107 PolarHBondContact NZ-OE1 2.63Å; K91-E107 IonicContact NZ-OE2 3.99Å; H95-E107 IonicContact CD2-OE1 3.8Å; H95-E107 IonicContact CE1-OE1 3.62Å; H95-E107 IonicContact NE2-OE1 2.85Å; H95-E107 PolarHBondContact NE2-OE1 3.47Å; H95-E107 IonicContact NE2-OE2 3.51Å; L102-E107 HydrophobicContact CD1-CG 3.98Å; L102-E107 WeakPolarHBondContact CD1-OE1 3.33Å; L102-E107 HydrophobicContact CG-CG 4.34Å; L102-E107 VanDerWaalsContact CG-OE1 3.3Å; L102-E107 WeakPolarHBondContact CG-OE1 3.32Å |
| 108 | G | 69 | Low | 66.7 | Low | 79 Ų | 79 | 78.7 Ų | 78.7 | 81% | 0.814 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | 8.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y106 D110 | Y106-G108 PolarHBondContact O-N 3.18Å; G108-D110 PolarHBondContact O-N 3.31Å |
| 109 | H | 55.7 | Low | 65.4 | Low | 86 Ų | 86 | 82.4 Ų | 82.4 | 40% | 0.398 | 46% | 0.46 | S | S | . | . | trans | -88.7 | 81 | 167.4 | -72.2 | -102.8 | 0 | 0 | 0 | 110 | Y106 Y111 | Y106-H109 WeakPolarHBondContact CB-CD2 3.44Å; H109-Y111 WeakPolarHBondContact O-CD1 3.16Å; H109-Y111 WeakPolarHBondContact O-CE1 3.21Å; H109-Y111 PolarHBondContact O-N 3.1Å; H109-Y111 VanDerWaalsContact O-N 3.1Å | ||
| 110 | D | 48.7 | Very low | 63.7 | Low | 153 Ų | 153 | 83.4 Ų | 83.4 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | trans | -66.5 | 102.9 | 152.7 | -78.6 | -36 | 0 | 0 | 0 | 106.5 | G108 T112 | G108-D110 PolarHBondContact O-N 3.31Å; D110-T112 VanDerWaalsContact C-N 3.35Å; D110-T112 PolarHBondContact O-N 2.83Å | ||
| 111 | Y | 44.4 | Very low | 62 | Low | 157 Ų | 157 | 90.5 Ų | 90.5 | 62% | 0.616 | 49% | 0.485 | S | S | * | . | trans | -64.7 | 90.7 | -177.9 | -3.6 | -93.8 | 0 | 0 | 0 | 110 | H109 C113 | H109-Y111 WeakPolarHBondContact O-CD1 3.16Å; H109-Y111 WeakPolarHBondContact O-CE1 3.21Å; H109-Y111 PolarHBondContact O-N 3.1Å; H109-Y111 VanDerWaalsContact O-N 3.1Å; Y111-C113 VanDerWaalsContact CB-SG 3.58Å; Y111-C113 PolarHBondContact O-N 3.28Å | ||
| 112 | T | 40.5 | Very low | 60.2 | Low | 104 Ų | 104 | 98 Ų | 98 | 64% | 0.638 | 51% | 0.511 | S | S | * | . | trans | -81.4 | 85.5 | 140.7 | 32.8 | 0 | 0 | 0 | 0 | 106.5 | D110 L114 L126 | D110-T112 VanDerWaalsContact C-N 3.35Å; D110-T112 PolarHBondContact O-N 2.83Å; T112-L114 PolarHBondContact O-N 2.83Å; T112-L126 HydrophobicContact CG2-CD2 3.74Å | ||
| 113 | C | 43.7 | Very low | 58.4 | Low | 56 Ų | 56 | 102.6 Ų | 102.6 | 38% | 0.378 | 54% | 0.535 | S | S | . | . | trans | -65.3 | 86 | 167.5 | -64.5 | 0 | 0 | 0 | 0 | 108.1 | Y111 V115 | Y111-C113 VanDerWaalsContact CB-SG 3.58Å; Y111-C113 PolarHBondContact O-N 3.28Å; C113-V115 VanDerWaalsContact C-N 3.31Å; C113-V115 PolarHBondContact O-N 3.04Å | ||
| 114 | L | 45.3 | Very low | 56.5 | Low | 77 Ų | 77 | 104.2 Ų | 104.2 | 40% | 0.403 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 92.1 | 165.8 | -65.1 | 180 | 0 | 0 | 0 | 107.2 | T112 W116 I123 L126 | T112-L114 PolarHBondContact O-N 2.83Å; L114-W116 PolarHBondContact O-N 3.01Å; L114-I123 HydrophobicContact CD1-CD1 4.43Å; L114-I123 HydrophobicContact CD2-CD1 4.2Å; L114-I123 HydrophobicContact CD2-CG1 4.33Å; L114-I123 HydrophobicContact CD2-CG2 3.64Å; L114-L126 HydrophobicContact CD2-CD2 4.2Å |
| 115 | V | 47.1 | Very low | 54.8 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 106.3 | 166.3 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | C113 D117 | C113-V115 VanDerWaalsContact C-N 3.31Å; C113-V115 PolarHBondContact O-N 3.04Å; V115-D117 PolarHBondContact O-N 3.07Å |
| 116 | W | 42.3 | Very low | 52.8 | Low | 163 Ų | 163 | 110 Ų | 110 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 109.5 | 172 | -92.2 | 82.1 | 0 | 0 | 0 | 109.1 | L114 G118 R121 | L114-W116 PolarHBondContact O-N 3.01Å; W116-G118 PolarHBondContact O-N 3.34Å; W116-R121 HydrophobicContact CZ3-CB 3.95Å; W116-R121 HydrophobicContact CZ3-CG 4.06Å |
| 117 | D | 45.8 | Very low | 50.9 | Low | 68 Ų | 68 | 113 Ų | 113 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | trans | -73.7 | 109.8 | 164 | -179.5 | 11.7 | 0 | 0 | 0 | 108.6 | V115 K119 D120 | V115-D117 PolarHBondContact O-N 3.07Å; D117-K119 PolarHBondContact O-N 3.26Å; D117-K119 PolarHBondContact OD1-N 3.44Å; D117-D120 PolarHBondContact O-N 3.47Å | ||
| 118 | G | 50.8 | Low | 49 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 87% | 0.866 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -3.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | W116 | W116-G118 PolarHBondContact O-N 3.34Š|
| 119 | K | 53.8 | Low | 47.3 | Very low | 181 Ų | 181 | 117.6 Ų | 117.6 | 79% | 0.787 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -28.2 | -179.5 | -155.7 | 166 | -175.5 | 175.3 | 0 | 114.4 | D117 | D117-K119 PolarHBondContact O-N 3.26Å; D117-K119 PolarHBondContact OD1-N 3.44Å |
| 120 | D | 50.6 | Low | 46.8 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 48% | 0.476 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.4 | 5.3 | -163.2 | -121 | 33.4 | 0 | 0 | 0 | 116.2 | D117 R122 | D117-D120 PolarHBondContact O-N 3.47Å; D120-R122 PolarHBondContact O-N 2.98Å; D120-R122 IonicContact OD2-CZ 3.72Å; D120-R122 IonicContact OD2-NE 3.72Å; D120-R122 IonicContact OD2-NH2 2.87Å; D120-R122 PolarHBondContact OD2-NH2 3.41Å |
| 121 | R | 54.5 | Low | 46.7 | Very low | 213 Ų | 213 | 121.2 Ų | 121.2 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 45 | 38.5 | 179.6 | -62.5 | -166.7 | -77.6 | -154.1 | -6.2 | 113.8 | W116 | W116-R121 HydrophobicContact CZ3-CB 3.95Å; W116-R121 HydrophobicContact CZ3-CG 4.06Å |
| 122 | R | 51.7 | Low | 46.9 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | trans | -125.7 | 139.5 | 174.8 | -75.9 | -170.8 | -82.6 | -176 | -3.2 | 109.9 | D120 L124 | D120-R122 PolarHBondContact O-N 2.98Å; D120-R122 IonicContact OD2-CZ 3.72Å; D120-R122 IonicContact OD2-NE 3.72Å; D120-R122 IonicContact OD2-NH2 2.87Å; D120-R122 PolarHBondContact OD2-NH2 3.41Å; R122-L124 PolarHBondContact O-N 3.34Å | ||
| 123 | I | 53.3 | Low | 47.2 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 55% | 0.549 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.8 | 114.7 | 176.4 | -63.7 | 166.6 | 0 | 0 | 0 | 107.5 | L114 | L114-I123 HydrophobicContact CD1-CD1 4.43Å; L114-I123 HydrophobicContact CD2-CD1 4.2Å; L114-I123 HydrophobicContact CD2-CG1 4.33Å; L114-I123 HydrophobicContact CD2-CG2 3.64Å |
| 124 | L | 50 | Low | 47.4 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 48% | 0.482 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | -35.8 | -174.2 | -118.9 | 90.2 | 0 | 0 | 0 | 114.3 | R122 | R122-L124 PolarHBondContact O-N 3.34Å |
| 125 | F | 48.1 | Very low | 47.6 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -152.5 | 132.4 | 179.3 | -70.6 | -78.6 | 0 | 0 | 0 | 113.2 | I127 | F125-I127 HydrophobicContact CB-CD1 4.35Å; F125-I127 HydrophobicContact CB-CG1 3.83Å; F125-I127 PolarHBondContact O-N 3.03Å |
| 126 | L | 47 | Very low | 47.6 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 87.3 | 158.9 | -79.3 | 167.4 | 0 | 0 | 0 | 107.4 | T112 L114 L128 | T112-L126 HydrophobicContact CG2-CD2 3.74Å; L114-L126 HydrophobicContact CD2-CD2 4.2Å; L126-L128 PolarHBondContact O-N 3.38Å |
| 127 | I | 45.5 | Very low | 48 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 51% | 0.508 | 66% | 0.664 | S | S | . | * | trans | -86.4 | 106.1 | 170.5 | -55.6 | -178 | 0 | 0 | 0 | 106.9 | F125 C129 | F125-I127 HydrophobicContact CB-CD1 4.35Å; F125-I127 HydrophobicContact CB-CG1 3.83Å; F125-I127 PolarHBondContact O-N 3.03Å; I127-C129 PolarHBondContact O-N 2.87Å; I127-C129 VanDerWaalsContact O-N 3.07Å | ||
| 128 | L | 42.5 | Very low | 48.2 | Very low | 156 Ų | 156 | 132 Ų | 132 | 82% | 0.817 | 69% | 0.687 | S | S | * | * | trans | -61.8 | 102 | 156 | -90.4 | 145.3 | 0 | 0 | 0 | 106.4 | L126 | L126-L128 PolarHBondContact O-N 3.38Š| ||
| 129 | C | 31.9 | Very low | 47.9 | Very low | 80 Ų | 80 | 136 Ų | 136 | 54% | 0.541 | 67% | 0.673 | S | S | . | * | trans | -73.8 | 132 | 169.2 | -152.5 | 0 | 0 | 0 | 0 | 107.6 | I127 | I127-C129 PolarHBondContact O-N 2.87Å; I127-C129 VanDerWaalsContact O-N 3.07Å | ||
| 130 | P | 46.4 | Very low | 47.4 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 100% | 1.247 | 66% | 0.662 | S | S | * | * | trans | -65.9 | 0 | 177 | 28.7 | -35 | 0 | 0 | 0 | 113.2 |
Retrieved 130 of 130 residues in 295.4 ms
(Link to these results)