| 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 | L | 60.1 | Low | 74.9 | Confident | 187 Ų | 187 | 114.4 Ų | 114.4 | 98% | 0.979 | 62% | 0.615 | S | S | * | * | 0 | -47.2 | 0 | -133.5 | 77 | 0 | 0 | 0 | 112.6 | L5 | L1-L5 PolarHBondContact O-N 2.91Å; L1-L5 VanDerWaalsContact O-N 3.17Å | |||
| 2 | S | 72.4 | Confident | 75.9 | Confident | 90 Ų | 90 | 115.9 Ų | 115.9 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.5 | -44 | -177.7 | 51.5 | 0 | 0 | 0 | 0 | 115 | L5 L6 | S2-L5 WeakPolarHBondContact O-CB 3.41Å; S2-L5 PolarHBondContact O-N 3.19Å; S2-L6 PolarHBondContact O-N 2.98Å |
| 3 | Q | 73.9 | Confident | 76.4 | Confident | 155 Ų | 155 | 117.2 Ų | 117.2 | 72% | 0.724 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.1 | -39.9 | 179.5 | -82.9 | 174.7 | -20.7 | 0 | 0 | 113.6 | L5 L6 Q7 | Q3-L5 VanDerWaalsContact C-N 3.32Å; Q3-L6 PolarHBondContact O-N 2.7Å; Q3-Q7 WeakPolarHBondContact O-CG 3.48Å; Q3-Q7 PolarHBondContact O-N 3.39Å |
| 4 | L | 73.8 | Confident | 77.3 | Confident | 114 Ų | 114 | 115.2 Ų | 115.2 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.7 | -37.1 | 174.9 | -72 | 166.3 | 0 | 0 | 0 | 111.2 | Q7 V8 | L4-Q7 PolarHBondContact O-N 2.75Å; L4-V8 WeakPolarHBondContact O-CB 3.03Å; L4-V8 VanDerWaalsContact O-CG2 3.24Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.47Å |
| 5 | L | 74.3 | Confident | 77.8 | Confident | 114 Ų | 114 | 119.7 Ų | 119.7 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.9 | -44.1 | 174.9 | -147.5 | 96.4 | 0 | 0 | 0 | 111.3 | L1 S2 Q3 V8 L9 | L1-L5 PolarHBondContact O-N 2.91Å; L1-L5 VanDerWaalsContact O-N 3.17Å; S2-L5 WeakPolarHBondContact O-CB 3.41Å; S2-L5 PolarHBondContact O-N 3.19Å; Q3-L5 VanDerWaalsContact C-N 3.32Å; L5-V8 PolarHBondContact O-N 2.9Å; L5-L9 HydrophobicContact CD2-CD1 4.26Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.12Å |
| 6 | L | 74.3 | Confident | 78.3 | Confident | 119 Ų | 119 | 117.9 Ų | 117.9 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.2 | -40.9 | 176.1 | -91.1 | 143.3 | 0 | 0 | 0 | 112.7 | S2 Q3 L9 S10 | S2-L6 PolarHBondContact O-N 2.98Å; Q3-L6 PolarHBondContact O-N 2.7Å; L6-L9 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-N 3.17Å; L6-S10 PolarHBondContact O-OG 3.34Å |
| 7 | Q | 75.4 | Confident | 78.7 | Confident | 120 Ų | 120 | 120.1 Ų | 120.1 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.3 | -39.1 | 175.9 | -72.7 | -174.7 | -44.1 | 0 | 0 | 112.8 | Q3 L4 L9 S10 L11 | Q3-Q7 WeakPolarHBondContact O-CG 3.48Å; Q3-Q7 PolarHBondContact O-N 3.39Å; L4-Q7 PolarHBondContact O-N 2.75Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-S10 PolarHBondContact O-N 2.97Å; Q7-S10 PolarHBondContact O-OG 3.03Å; Q7-L11 VanDerWaalsContact O-CG 3.31Å; Q7-L11 WeakPolarHBondContact O-CG 3.5Å; Q7-L11 PolarHBondContact O-N 3.49Å; Q7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | V | 78.4 | Confident | 79.1 | Confident | 77 Ų | 77 | 117.4 Ų | 117.4 | 47% | 0.467 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L4 L5 K12 | L4-V8 WeakPolarHBondContact O-CB 3.03Å; L4-V8 VanDerWaalsContact O-CG2 3.24Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.47Å; L5-V8 PolarHBondContact O-N 2.9Å; V8-K12 HydrophobicContact CG1-CD 4.45Å; V8-K12 WeakPolarHBondContact O-CG 3.31Å; V8-K12 PolarHBondContact O-N 3.11Å; V8-K12 VanDerWaalsContact O-N 3.08Å |
| 9 | L | 78.8 | Confident | 79.1 | Confident | 97 Ų | 97 | 113.9 Ų | 113.9 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.7 | -42.4 | 176 | -72.2 | 170.6 | 0 | 0 | 0 | 111.9 | L5 L6 Q7 K12 M13 | L5-L9 HydrophobicContact CD2-CD1 4.26Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.12Å; L6-L9 PolarHBondContact O-N 2.95Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; L9-K12 PolarHBondContact O-N 2.96Å; L9-M13 VanDerWaalsContact O-CG 3.23Å; L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 2.91Å |
| 10 | S | 81 | Confident | 79.1 | Confident | 62 Ų | 62 | 114 Ų | 114 | 43% | 0.434 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 177.7 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | L6 Q7 K12 M13 V14 | L6-S10 PolarHBondContact O-N 3.17Å; L6-S10 PolarHBondContact O-OG 3.34Å; Q7-S10 PolarHBondContact O-N 2.97Å; Q7-S10 PolarHBondContact O-OG 3.03Å; S10-K12 PolarHBondContact O-N 2.05Å; S10-M13 PolarHBondContact O-N 2.81Å; S10-V14 WeakPolarHBondContact O-CG2 3.46Å; S10-V14 PolarHBondContact O-N 2.9Å |
| 11 | L | 82.1 | Confident | 79 | Confident | 123 Ų | 123 | 115.2 Ų | 115.2 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 176 | -71.9 | 171.4 | 0 | 0 | 0 | 112.3 | Q7 V14 W15 | Q7-L11 VanDerWaalsContact O-CG 3.31Å; Q7-L11 WeakPolarHBondContact O-CG 3.5Å; Q7-L11 PolarHBondContact O-N 3.49Å; Q7-L11 VanDerWaalsContact O-N 3.11Å; L11-V14 PolarHBondContact O-N 2.96Å; L11-W15 WeakPolarHBondContact O-CB 3.5Å; L11-W15 PolarHBondContact O-N 2.92Å |
| 12 | K | 86.1 | Confident | 79.4 | Confident | 133 Ų | 133 | 111.4 Ų | 111.4 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.9 | -41.1 | 174.7 | -77 | -176 | 176.9 | -170.8 | 0 | 112.2 | V8 L9 S10 W15 L16 | V8-K12 HydrophobicContact CG1-CD 4.45Å; V8-K12 WeakPolarHBondContact O-CG 3.31Å; V8-K12 PolarHBondContact O-N 3.11Å; V8-K12 VanDerWaalsContact O-N 3.08Å; L9-K12 PolarHBondContact O-N 2.96Å; S10-K12 PolarHBondContact O-N 2.05Å; K12-W15 PolarHBondContact O-N 3.14Å; K12-L16 WeakPolarHBondContact O-CB 3.24Å; K12-L16 VanDerWaalsContact O-CG 3.26Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 2.78Å |
| 13 | M | 82.4 | Confident | 79.3 | Confident | 132 Ų | 132 | 109.4 Ų | 109.4 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 177.9 | -69.8 | -66.2 | -72.6 | 0 | 0 | 111.9 | L9 S10 L16 Y17 | L9-M13 VanDerWaalsContact O-CG 3.23Å; L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 2.91Å; S10-M13 PolarHBondContact O-N 2.81Å; M13-L16 PolarHBondContact O-N 3.03Å; M13-Y17 WeakPolarHBondContact O-CB 3.38Å; M13-Y17 PolarHBondContact O-N 3.38Å |
| 14 | V | 88.6 | Confident | 79.1 | Confident | 90 Ų | 90 | 111.3 Ų | 111.3 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | S10 L11 Y17 V18 | S10-V14 WeakPolarHBondContact O-CG2 3.46Å; S10-V14 PolarHBondContact O-N 2.9Å; L11-V14 PolarHBondContact O-N 2.96Å; V14-Y17 PolarHBondContact O-N 2.87Å; V14-V18 WeakPolarHBondContact O-CG2 3.18Å; V14-V18 PolarHBondContact O-N 2.9Å |
| 15 | W | 85.4 | Confident | 78.6 | Confident | 182 Ų | 182 | 109.8 Ų | 109.8 | 69% | 0.689 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 178.5 | -162.3 | 78.7 | 0 | 0 | 0 | 112.1 | L11 K12 Y17 V18 C19 | L11-W15 WeakPolarHBondContact O-CB 3.5Å; L11-W15 PolarHBondContact O-N 2.92Å; K12-W15 PolarHBondContact O-N 3.14Å; W15-Y17 VanDerWaalsContact C-N 3.32Å; W15-Y17 PolarHBondContact O-N 3.44Å; W15-V18 PolarHBondContact O-N 2.92Å; W15-C19 PolarHBondContact O-N 2.93Å; W15-C19 PolarHBondContact O-SG 3.07Å |
| 16 | L | 86.1 | Confident | 77.9 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 173.8 | -73.4 | 170.5 | 0 | 0 | 0 | 111.9 | K12 M13 C19 L20 | K12-L16 WeakPolarHBondContact O-CB 3.24Å; K12-L16 VanDerWaalsContact O-CG 3.26Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 2.78Å; M13-L16 PolarHBondContact O-N 3.03Å; L16-C19 PolarHBondContact O-N 3.27Å; L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 3.33Å |
| 17 | Y | 85 | Confident | 77.2 | Confident | 154 Ų | 154 | 106.6 Ų | 106.6 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 178 | -171.6 | -96 | 0 | 0 | 0 | 112 | M13 V14 W15 L20 W21 | M13-Y17 WeakPolarHBondContact O-CB 3.38Å; M13-Y17 PolarHBondContact O-N 3.38Å; V14-Y17 PolarHBondContact O-N 2.87Å; W15-Y17 VanDerWaalsContact C-N 3.32Å; W15-Y17 PolarHBondContact O-N 3.44Å; Y17-L20 PolarHBondContact O-N 2.92Å; Y17-W21 WeakPolarHBondContact O-CB 3.44Å; Y17-W21 PolarHBondContact O-N 3.04Å |
| 18 | V | 84.9 | Confident | 76.4 | Confident | 72 Ų | 72 | 103.8 Ų | 103.8 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | V14 W15 L20 W21 E22 | V14-V18 WeakPolarHBondContact O-CG2 3.18Å; V14-V18 PolarHBondContact O-N 2.9Å; W15-V18 PolarHBondContact O-N 2.92Å; V18-L20 VanDerWaalsContact C-N 3.32Å; V18-L20 PolarHBondContact O-N 2.89Å; V18-W21 WeakPolarHBondContact O-CB 3.37Å; V18-W21 PolarHBondContact O-N 2.8Å; V18-W21 VanDerWaalsContact O-N 3.14Å; V18-E22 HydrophobicContact CG1-CG 4.43Å; V18-E22 WeakPolarHBondContact O-CG 3.27Å; V18-E22 PolarHBondContact O-N 3.18Å |
| 19 | C | 80.4 | Confident | 75.4 | Confident | 51 Ų | 51 | 105.3 Ų | 105.3 | 35% | 0.345 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 177.4 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | W15 L16 W21 A23 | W15-C19 PolarHBondContact O-N 2.93Å; W15-C19 PolarHBondContact O-SG 3.07Å; L16-C19 PolarHBondContact O-N 3.27Å; C19-W21 VanDerWaalsContact C-N 3.33Å; C19-A23 VanDerWaalsContact O-CB 3.27Å; C19-A23 WeakPolarHBondContact O-CB 3.23Å; C19-A23 PolarHBondContact O-N 3.01Å |
| 20 | L | 78.7 | Confident | 74.4 | Confident | 115 Ų | 115 | 104.8 Ų | 104.8 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -34.7 | 176.4 | -72.7 | 170 | 0 | 0 | 0 | 112.2 | L16 Y17 V18 R24 | L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 3.33Å; Y17-L20 PolarHBondContact O-N 2.92Å; V18-L20 VanDerWaalsContact C-N 3.32Å; V18-L20 PolarHBondContact O-N 2.89Å; L20-R24 PolarHBondContact O-N 3.37Å; L20-R24 VanDerWaalsContact O-N 3.08Å |
| 21 | W | 76.9 | Confident | 73.1 | Confident | 141 Ų | 141 | 109.8 Ų | 109.8 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.4 | -48.6 | 176.5 | -172.9 | -90.3 | 0 | 0 | 0 | 112.1 | Y17 V18 C19 A23 R24 L25 | Y17-W21 WeakPolarHBondContact O-CB 3.44Å; Y17-W21 PolarHBondContact O-N 3.04Å; V18-W21 WeakPolarHBondContact O-CB 3.37Å; V18-W21 PolarHBondContact O-N 2.8Å; V18-W21 VanDerWaalsContact O-N 3.14Å; C19-W21 VanDerWaalsContact C-N 3.33Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.43Å; W21-R24 WeakPolarHBondContact O-CB 3.41Å; W21-R24 PolarHBondContact O-N 3.47Å; W21-R24 VanDerWaalsContact O-N 3.15Å; W21-L25 HydrophobicContact CG-CD1 4.45Å; W21-L25 VanDerWaalsContact NE1-CD1 3.33Å; W21-L25 PolarHBondContact O-N 2.95Å |
| 22 | E | 68.5 | Low | 71.6 | Confident | 107 Ų | 107 | 110.2 Ų | 110.2 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 177 | -67.4 | -56.3 | 137.2 | 0 | 0 | 112.1 | V18 R24 L25 S26 | V18-E22 HydrophobicContact CG1-CG 4.43Å; V18-E22 WeakPolarHBondContact O-CG 3.27Å; V18-E22 PolarHBondContact O-N 3.18Å; E22-R24 PolarHBondContact O-N 2.99Å; E22-L25 PolarHBondContact O-N 3.25Å; E22-S26 WeakPolarHBondContact O-CB 3.39Å; E22-S26 PolarHBondContact O-N 3.38Å; E22-S26 PolarHBondContact O-OG 2.92Å |
| 23 | A | 69.8 | Low | 69.9 | Low | 48 Ų | 48 | 111.8 Ų | 111.8 | 40% | 0.397 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C19 W21 S26 L27 | C19-A23 VanDerWaalsContact O-CB 3.27Å; C19-A23 WeakPolarHBondContact O-CB 3.23Å; C19-A23 PolarHBondContact O-N 3.01Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.43Å; A23-S26 PolarHBondContact O-N 2.96Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.97Å |
| 24 | R | 70.6 | Confident | 68.3 | Low | 194 Ų | 194 | 108.4 Ų | 108.4 | 73% | 0.732 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 174.1 | -85.9 | -169 | -179.3 | -119.1 | 4.1 | 112.5 | L20 W21 E22 S26 L27 A28 | L20-R24 PolarHBondContact O-N 3.37Å; L20-R24 VanDerWaalsContact O-N 3.08Å; W21-R24 WeakPolarHBondContact O-CB 3.41Å; W21-R24 PolarHBondContact O-N 3.47Å; W21-R24 VanDerWaalsContact O-N 3.15Å; E22-R24 PolarHBondContact O-N 2.99Å; R24-S26 VanDerWaalsContact C-N 3.31Å; R24-S26 PolarHBondContact O-N 3.44Å; R24-L27 PolarHBondContact O-N 3.35Å; R24-A28 WeakPolarHBondContact O-CB 3.26Å; R24-A28 PolarHBondContact O-N 3.08Å |
| 25 | L | 62 | Low | 66.4 | Low | 82 Ų | 82 | 110.4 Ų | 110.4 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.1 | -102.1 | 94.1 | 0 | 0 | 0 | 111.7 | W21 E22 A28 N29 | W21-L25 HydrophobicContact CG-CD1 4.45Å; W21-L25 VanDerWaalsContact NE1-CD1 3.33Å; W21-L25 PolarHBondContact O-N 2.95Å; E22-L25 PolarHBondContact O-N 3.25Å; L25-A28 PolarHBondContact O-N 3.47Å; L25-N29 PolarHBondContact O-N 3.3Å; L25-N29 VanDerWaalsContact O-N 3.08Å |
| 26 | S | 60.6 | Low | 64.8 | Low | 72 Ų | 72 | 105.3 Ų | 105.3 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 179.1 | -59 | 0 | 0 | 0 | 0 | 111.4 | E22 A23 R24 N29 V30 | E22-S26 WeakPolarHBondContact O-CB 3.39Å; E22-S26 PolarHBondContact O-N 3.38Å; E22-S26 PolarHBondContact O-OG 2.92Å; A23-S26 PolarHBondContact O-N 2.96Å; R24-S26 VanDerWaalsContact C-N 3.31Å; R24-S26 PolarHBondContact O-N 3.44Å; S26-N29 PolarHBondContact O-N 2.92Å; S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 2.98Å |
| 27 | L | 59.7 | Low | 63.1 | Low | 95 Ų | 95 | 105.6 Ų | 105.6 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.6 | -74 | 167.3 | 0 | 0 | 0 | 111.6 | A23 R24 N29 V30 Y31 | A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.97Å; R24-L27 PolarHBondContact O-N 3.35Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 3.29Å; L27-V30 VanDerWaalsContact O-N 3.16Å; L27-Y31 HydrophobicContact CB-CD2 4.29Å; L27-Y31 HydrophobicContact CB-CE2 4.22Å; L27-Y31 HydrophobicContact CD2-CE2 4.32Å; L27-Y31 WeakPolarHBondContact O-CD2 3.27Å; L27-Y31 PolarHBondContact O-N 3.45Å |
| 28 | A | 59.5 | Low | 61 | Low | 60 Ų | 60 | 106.5 Ų | 106.5 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R24 L25 Y31 H32 | R24-A28 WeakPolarHBondContact O-CB 3.26Å; R24-A28 PolarHBondContact O-N 3.08Å; L25-A28 PolarHBondContact O-N 3.47Å; A28-Y31 PolarHBondContact O-N 3.23Å; A28-H32 VanDerWaalsContact O-CB 3.32Å; A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 2.97Å |
| 29 | N | 57.4 | Low | 59.2 | Low | 109 Ų | 109 | 106.6 Ų | 106.6 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 174.4 | -96.6 | -55 | 0 | 0 | 0 | 112.8 | L25 S26 L27 H32 Y33 | L25-N29 PolarHBondContact O-N 3.3Å; L25-N29 VanDerWaalsContact O-N 3.08Å; S26-N29 PolarHBondContact O-N 2.92Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.41Å; N29-H32 PolarHBondContact O-N 3.37Å; N29-Y33 WeakPolarHBondContact O-CB 3.47Å; N29-Y33 PolarHBondContact O-N 3.14Å |
| 30 | V | 56.8 | Low | 57.7 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.4 | -41.4 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | S26 L27 Y33 S34 | S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 2.98Å; L27-V30 PolarHBondContact O-N 3.29Å; L27-V30 VanDerWaalsContact O-N 3.16Å; V30-Y33 PolarHBondContact O-N 3.42Å; V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.02Å; V30-S34 PolarHBondContact O-N 2.9Å; V30-S34 PolarHBondContact O-OG 2.86Å |
| 31 | Y | 52.8 | Low | 56.6 | Low | 167 Ų | 167 | 110.6 Ų | 110.6 | 66% | 0.655 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.7 | -39.3 | 174.6 | -78.7 | -68.8 | 0 | 0 | 0 | 111.8 | L27 A28 S34 L35 | L27-Y31 HydrophobicContact CB-CD2 4.29Å; L27-Y31 HydrophobicContact CB-CE2 4.22Å; L27-Y31 HydrophobicContact CD2-CE2 4.32Å; L27-Y31 WeakPolarHBondContact O-CD2 3.27Å; L27-Y31 PolarHBondContact O-N 3.45Å; A28-Y31 PolarHBondContact O-N 3.23Å; Y31-S34 PolarHBondContact O-N 3.39Å; Y31-L35 VanDerWaalsContact O-CB 3.28Å; Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 3.11Å |
| 32 | H | 52.3 | Low | 56.1 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.616 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 175.8 | -165.4 | -101.8 | 0 | 0 | 0 | 111.8 | A28 N29 T36 | A28-H32 VanDerWaalsContact O-CB 3.32Å; A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 2.97Å; N29-H32 PolarHBondContact O-N 3.37Å; H32-T36 WeakPolarHBondContact O-CG2 3.11Å; H32-T36 PolarHBondContact O-N 3.49Å; H32-T36 PolarHBondContact O-OG1 3.14Å |
| 33 | Y | 49.8 | Very low | 56.6 | Low | 166 Ų | 166 | 104.2 Ų | 104.2 | 65% | 0.651 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.6 | -35.7 | 173.3 | 174.2 | -98.5 | 0 | 0 | 0 | 112.8 | N29 V30 T36 V37 | N29-Y33 WeakPolarHBondContact O-CB 3.47Å; N29-Y33 PolarHBondContact O-N 3.14Å; V30-Y33 PolarHBondContact O-N 3.42Å; Y33-T36 PolarHBondContact O-OG1 3.08Å; Y33-V37 VanDerWaalsContact O-CG2 3.31Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å |
| 34 | S | 48.4 | Very low | 57.4 | Low | 60 Ų | 60 | 103.5 Ų | 103.5 | 42% | 0.42 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -78.8 | -32.1 | -177.3 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | V30 Y31 V37 | V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.02Å; V30-S34 PolarHBondContact O-N 2.9Å; V30-S34 PolarHBondContact O-OG 2.86Å; Y31-S34 PolarHBondContact O-N 3.39Å; S34-V37 PolarHBondContact O-N 3.37Å |
| 35 | L | 49.5 | Very low | 58.1 | Low | 132 Ų | 132 | 99.6 Ų | 99.6 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73 | -32.8 | 177.3 | -169.7 | 70.1 | 0 | 0 | 0 | 112.1 | Y31 V37 H38 | Y31-L35 VanDerWaalsContact O-CB 3.28Å; Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 3.11Å; L35-V37 PolarHBondContact O-N 2.79Å; L35-H38 PolarHBondContact O-N 3.08Å |
| 36 | T | 51 | Low | 59.2 | Low | 76 Ų | 76 | 98.8 Ų | 98.8 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -22.7 | 174.3 | 50 | 0 | 0 | 0 | 0 | 112.9 | H32 Y33 H38 | H32-T36 WeakPolarHBondContact O-CG2 3.11Å; H32-T36 PolarHBondContact O-N 3.49Å; H32-T36 PolarHBondContact O-OG1 3.14Å; Y33-T36 PolarHBondContact O-OG1 3.08Å; T36-H38 VanDerWaalsContact C-N 3.31Å; T36-H38 PolarHBondContact O-N 3.28Å |
| 37 | V | 50.3 | Low | 60.5 | Low | 97 Ų | 97 | 100 Ų | 100 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.8 | 178 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | Y33 S34 L35 | Y33-V37 VanDerWaalsContact O-CG2 3.31Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; S34-V37 PolarHBondContact O-N 3.37Å; L35-V37 PolarHBondContact O-N 2.79Å |
| 38 | H | 41.9 | Very low | 61.6 | Low | 174 Ų | 174 | 97.8 Ų | 97.8 | 81% | 0.806 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 23.7 | -177.8 | -121.1 | 73.3 | 0 | 0 | 0 | 114.8 | L35 T36 K40 | L35-H38 PolarHBondContact O-N 3.08Å; T36-H38 VanDerWaalsContact C-N 3.31Å; T36-H38 PolarHBondContact O-N 3.28Å; H38-K40 PolarHBondContact O-N 3.38Å |
| 39 | V | 46.8 | Very low | 62.8 | Low | 73 Ų | 73 | 98.3 Ų | 98.3 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -80.6 | 114.6 | 166 | -179 | 0 | 0 | 0 | 0 | 107.8 | A41 F70 | V39-A41 PolarHBondContact O-N 2.98Å; V39-F70 HydrophobicContact CG1-CD2 4.2Å |
| 40 | K | 48.1 | Very low | 64.2 | Low | 182 Ų | 182 | 98.4 Ų | 98.4 | 79% | 0.791 | 53% | 0.528 | S | S | * | . | trans | -39.4 | 111.7 | 172.2 | -155.9 | 170.3 | -171.8 | 172.7 | 0 | 108.5 | H38 G42 F70 | H38-K40 PolarHBondContact O-N 3.38Å; K40-G42 PolarHBondContact O-N 3.03Å; K40-F70 WeakPolarHBondContact O-CD2 3.2Å; K40-F70 WeakPolarHBondContact O-CE2 3.37Å | ||
| 41 | A | 56.8 | Low | 65.3 | Low | 68 Ų | 68 | 102.2 Ų | 102.2 | 56% | 0.562 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 135.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V39 | V39-A41 PolarHBondContact O-N 2.98Š|
| 42 | G | 65.2 | Low | 66.6 | Low | 10 Ų | 10 | 96.7 Ų | 96.7 | 10% | 0.103 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 154.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K40 C44 S68 C84 | K40-G42 PolarHBondContact O-N 3.03Å; G42-C44 PolarHBondContact O-N 2.85Å; G42-S68 CarbonylContact C-O 3.55Å; G42-S68 WeakPolarHBondContact CA-O 3.39Å; G42-C84 VanDerWaalsContact CA-SG 3.51Å |
| 43 | T | 79.9 | Confident | 67.9 | Low | 105 Ų | 105 | 95.4 Ų | 95.4 | 64% | 0.644 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.8 | -176.5 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | C67 S68 | T43-C67 CarbonylContact O-C 3.53Å; T43-C67 WeakPolarHBondContact O-CA 3.26Å; T43-S68 PolarHBondContact N-O 3.04Å; T43-S68 PolarHBondContact O-N 3.36Å |
| 44 | C | 86 | Confident | 69.2 | Low | 32 Ų | 32 | 92 Ų | 92 | 22% | 0.216 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.1 | 170.3 | -70.9 | 0 | 0 | 0 | 0 | 110.2 | G42 V65 K66 C67 P82 S83 | G42-C44 PolarHBondContact O-N 2.85Å; C44-V65 HydrophobicContact CB-CG1 4.26Å; C44-K66 CarbonylContact C-O 3.55Å; C44-K66 WeakPolarHBondContact CA-O 3.29Å; C44-C67 HydrophobicContact CB-CB 4.19Å; C44-C67 WeakPolarHBondContact CB-SG 3.36Å; C44-C67 WeakPolarHBondContact SG-CB 3.38Å; C44-C67 CovalentContact SG-SG 2.05Å; C44-C67 PolarHBondContact SG-SG 3.03Å; C44-P82 HydrophobicContact CB-CB 3.91Å; C44-P82 HydrophobicContact CB-CG 4.34Å; C44-S83 VanDerWaalsContact SG-C 3.51Å |
| 45 | E | 85.1 | Confident | 70.2 | Confident | 113 Ų | 113 | 99 Ų | 99 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.7 | 178.8 | 61.8 | 180 | -177 | 0 | 0 | 110.9 | I47 V65 K66 | E45-I47 HydrophobicContact CG-CG2 3.89Å; E45-I47 PolarHBondContact O-N 2.03Å; E45-V65 CarbonylContact O-C 3.56Å; E45-V65 WeakPolarHBondContact O-CA 3.48Å; E45-K66 HydrophobicContact CG-CB 4.02Å; E45-K66 PolarHBondContact N-O 3.32Å; E45-K66 PolarHBondContact O-N 3.43Å |
| 46 | V | 84.8 | Confident | 71.4 | Confident | 64 Ų | 64 | 98.6 Ų | 98.6 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 107.9 | 172.7 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | A48 A49 Q63 T64 V65 P82 | V46-A48 WeakPolarHBondContact CG1-O 3.39Å; V46-A49 HydrophobicContact CG1-CB 4.25Å; V46-Q63 HydrophobicContact CG1-CB 4.16Å; V46-Q63 HydrophobicContact CG1-CG 4.36Å; V46-T64 CarbonylContact C-O 3.36Å; V46-V65 HydrophobicContact CG2-CG2 4.24Å; V46-P82 HydrophobicContact CG2-CG 3.99Å |
| 47 | I | 87.4 | Confident | 72.1 | Confident | 99 Ų | 99 | 104.5 Ų | 104.5 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | -21.7 | -177 | 59.7 | 168.3 | 0 | 0 | 0 | 113 | E45 T64 K66 | E45-I47 HydrophobicContact CG-CG2 3.89Å; E45-I47 PolarHBondContact O-N 2.03Å; I47-T64 HydrophobicContact CD1-CG2 3.74Å; I47-T64 HydrophobicContact CG1-CG2 3.75Å; I47-T64 WeakPolarHBondContact CG1-O 3.48Å; I47-T64 PolarHBondContact N-O 3.08Å; I47-K66 HydrophobicContact CD1-CB 4.38Å; I47-K66 HydrophobicContact CG2-CB 3.7Å; I47-K66 HydrophobicContact CG2-CD 4.5Å |
| 48 | A | 84.4 | Confident | 72.9 | Confident | 48 Ų | 48 | 104.6 Ų | 104.6 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -149 | 145.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V46 Q63 T64 | V46-A48 WeakPolarHBondContact CG1-O 3.39Å; A48-Q63 CarbonylContact O-C 3.55Å; A48-Q63 WeakPolarHBondContact O-CA 3.01Å; A48-T64 PolarHBondContact N-O 3.48Å; A48-T64 PolarHBondContact O-N 3.02Å |
| 49 | A | 84.6 | Confident | 74.4 | Confident | 70 Ų | 70 | 102.5 Ų | 102.5 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 128.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V46 S62 Q63 | V46-A49 HydrophobicContact CG1-CB 4.25Å; A49-S62 WeakPolarHBondContact CA-O 3.11Å; A49-Q63 HydrophobicContact CB-CG 4.19Å |
| 50 | H | 85.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.3 | 174.7 | -166.5 | -81.2 | 0 | 0 | 0 | 109 | C52 S62 | H50-C52 PolarHBondContact CE1-SG 3.31Å; H50-C52 PolarHBondContact ND1-SG 2.71Å; H50-S62 WeakPolarHBondContact CB-OG 3.38Å; H50-S62 PolarHBondContact N-O 2.93Å; H50-S62 PolarHBondContact O-N 3.41Å; H50-S62 VanDerWaalsContact O-O 3.14Å; H50-S62 PolarHBondContact O-OG 2.99Å |
| 51 | R | 81.8 | Confident | 76.8 | Confident | 166 Ų | 166 | 103.3 Ų | 103.3 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.5 | 176.9 | -71.9 | -177.9 | 179.1 | 173.7 | -1.2 | 107.8 | ||
| 52 | C | 78.9 | Confident | 77.9 | Confident | 50 Ų | 50 | 102.8 Ų | 102.8 | 34% | 0.338 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.2 | 172.7 | -71.4 | 0 | 0 | 0 | 0 | 109.2 | H50 E60 | H50-C52 PolarHBondContact CE1-SG 3.31Å; H50-C52 PolarHBondContact ND1-SG 2.71Å; C52-E60 HydrophobicContact CB-CB 4.2Å; C52-E60 PolarHBondContact N-O 2.94Å; C52-E60 PolarHBondContact O-N 3.07Å |
| 53 | C | 79.4 | Confident | 78.6 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 72% | 0.723 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.5 | 167.8 | -64.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 54 | N | 76.8 | Confident | 78.8 | Confident | 95 Ų | 95 | 104.6 Ų | 104.6 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | trans | -84.2 | 156.8 | 171.6 | -166.7 | -5.1 | 0 | 0 | 0 | 110.4 | N56 K57 I58 | N54-N56 PolarHBondContact O-N 3.04Å; N54-K57 PolarHBondContact O-N 2.97Å; N54-I58 HydrophobicContact CB-CB 4.48Å; N54-I58 PolarHBondContact N-O 2.85Å; N54-I58 VanDerWaalsContact N-O 3.07Å | ||
| 55 | K | 70.4 | Confident | 78.7 | Confident | 206 Ų | 206 | 105.7 Ų | 105.7 | 90% | 0.896 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.1 | 177.7 | -68.9 | -178 | 179 | 177 | 0 | 113.4 | K57 | K55-K57 PolarHBondContact O-N 3.33Š|
| 56 | N | 74.1 | Confident | 78.8 | Confident | 123 Ų | 123 | 105.8 Ų | 105.8 | 66% | 0.658 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 13.1 | 175.9 | -64.3 | -19.2 | 0 | 0 | 0 | 114.3 | N54 I58 | N54-N56 PolarHBondContact O-N 3.04Å; N56-I58 HydrophobicContact CB-CD1 4.11Å; N56-I58 HydrophobicContact CB-CG1 4.11Å; N56-I58 PolarHBondContact O-N 3.49Å |
| 57 | K | 64.9 | Low | 79 | Confident | 200 Ų | 200 | 104.4 Ų | 104.4 | 87% | 0.87 | 53% | 0.533 | S | S | * | . | trans | 56.1 | 25.9 | -173.3 | -56.8 | -177.2 | -179.9 | 179.8 | 0 | 113.9 | N54 K55 E59 | N54-K57 PolarHBondContact O-N 2.97Å; K55-K57 PolarHBondContact O-N 3.33Å; K57-E59 PolarHBondContact O-N 3.42Å | ||
| 58 | I | 68 | Low | 79.1 | Confident | 100 Ų | 100 | 103.2 Ų | 103.2 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | trans | -82.9 | 111.3 | 170.2 | -58.4 | 173.5 | 0 | 0 | 0 | 106.2 | N54 N56 | N54-I58 HydrophobicContact CB-CB 4.48Å; N54-I58 PolarHBondContact N-O 2.85Å; N54-I58 VanDerWaalsContact N-O 3.07Å; N56-I58 HydrophobicContact CB-CD1 4.11Å; N56-I58 HydrophobicContact CB-CG1 4.11Å; N56-I58 PolarHBondContact O-N 3.49Å | ||
| 59 | E | 72.6 | Confident | 79.3 | Confident | 130 Ų | 130 | 102.8 Ų | 102.8 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.4 | 172.4 | -171.4 | -179.5 | 173 | 0 | 0 | 108.1 | K57 | K57-E59 PolarHBondContact O-N 3.42Å |
| 60 | E | 75.1 | Confident | 79.5 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 115.7 | 175.5 | -176.3 | 175.4 | -166.5 | 0 | 0 | 108.8 | C52 | C52-E60 HydrophobicContact CB-CB 4.2Å; C52-E60 PolarHBondContact N-O 2.94Å; C52-E60 PolarHBondContact O-N 3.07Å |
| 61 | R | 72.3 | Confident | 79.8 | Confident | 145 Ų | 145 | 105.4 Ų | 105.4 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 103.9 | 178.8 | -174.4 | 178.3 | -177.9 | 177.4 | -1.4 | 108.8 | Q63 | R61-Q63 HydrophobicContact CG-CG 4.25Å |
| 62 | S | 78.2 | Confident | 80.1 | Confident | 57 Ų | 57 | 100 Ų | 100 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.2 | 171.7 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | A49 H50 | A49-S62 WeakPolarHBondContact CA-O 3.11Å; H50-S62 WeakPolarHBondContact CB-OG 3.38Å; H50-S62 PolarHBondContact N-O 2.93Å; H50-S62 PolarHBondContact O-N 3.41Å; H50-S62 VanDerWaalsContact O-O 3.14Å; H50-S62 PolarHBondContact O-OG 2.99Å |
| 63 | Q | 81.4 | Confident | 80.7 | Confident | 73 Ų | 73 | 99.9 Ų | 99.9 | 34% | 0.341 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.7 | 176.9 | -65.5 | -173.2 | -51.1 | 0 | 0 | 108.2 | V46 A48 A49 R61 V65 | V46-Q63 HydrophobicContact CG1-CB 4.16Å; V46-Q63 HydrophobicContact CG1-CG 4.36Å; A48-Q63 CarbonylContact O-C 3.55Å; A48-Q63 WeakPolarHBondContact O-CA 3.01Å; A49-Q63 HydrophobicContact CB-CG 4.19Å; R61-Q63 HydrophobicContact CG-CG 4.25Å; Q63-V65 HydrophobicContact CB-CG2 4.5Å |
| 64 | T | 82.7 | Confident | 81.2 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.1 | 168.9 | -49.7 | 0 | 0 | 0 | 0 | 107.5 | V46 I47 A48 | V46-T64 CarbonylContact C-O 3.36Å; I47-T64 HydrophobicContact CD1-CG2 3.74Å; I47-T64 HydrophobicContact CG1-CG2 3.75Å; I47-T64 WeakPolarHBondContact CG1-O 3.48Å; I47-T64 PolarHBondContact N-O 3.08Å; A48-T64 PolarHBondContact N-O 3.48Å; A48-T64 PolarHBondContact O-N 3.02Å |
| 65 | V | 85.1 | Confident | 81.9 | Confident | 56 Ų | 56 | 95.7 Ų | 95.7 | 34% | 0.339 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.6 | -174.5 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | C44 E45 V46 Q63 P82 | C44-V65 HydrophobicContact CB-CG1 4.26Å; E45-V65 CarbonylContact O-C 3.56Å; E45-V65 WeakPolarHBondContact O-CA 3.48Å; V46-V65 HydrophobicContact CG2-CG2 4.24Å; Q63-V65 HydrophobicContact CB-CG2 4.5Å; V65-P82 HydrophobicContact CB-CB 4.28Å; V65-P82 HydrophobicContact CG1-CB 3.37Å; V65-P82 HydrophobicContact CG1-CG 3.92Å; V65-P82 HydrophobicContact CG2-CB 3.95Å; V65-P82 HydrophobicContact CG2-CG 4.1Å |
| 66 | K | 86.6 | Confident | 83 | Confident | 114 Ų | 114 | 86.5 Ų | 86.5 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.6 | 168.8 | -175 | 177.4 | 178 | -172.9 | 0 | 108.8 | C44 E45 I47 | C44-K66 CarbonylContact C-O 3.55Å; C44-K66 WeakPolarHBondContact CA-O 3.29Å; E45-K66 HydrophobicContact CG-CB 4.02Å; E45-K66 PolarHBondContact N-O 3.32Å; E45-K66 PolarHBondContact O-N 3.43Å; I47-K66 HydrophobicContact CD1-CB 4.38Å; I47-K66 HydrophobicContact CG2-CB 3.7Å; I47-K66 HydrophobicContact CG2-CD 4.5Å |
| 67 | C | 88.7 | Confident | 83.8 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 24% | 0.243 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140 | 177.6 | -71.3 | 0 | 0 | 0 | 0 | 110.8 | T43 C44 A75 | T43-C67 CarbonylContact O-C 3.53Å; T43-C67 WeakPolarHBondContact O-CA 3.26Å; C44-C67 HydrophobicContact CB-CB 4.19Å; C44-C67 WeakPolarHBondContact CB-SG 3.36Å; C44-C67 WeakPolarHBondContact SG-CB 3.38Å; C44-C67 CovalentContact SG-SG 2.05Å; C44-C67 PolarHBondContact SG-SG 3.03Å; C67-A75 HydrophobicContact CB-CB 3.98Å |
| 68 | S | 89.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 51% | 0.51 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 88.1 | 169.9 | -61.8 | 0 | 0 | 0 | 0 | 108.4 | G42 T43 | G42-S68 CarbonylContact C-O 3.55Å; G42-S68 WeakPolarHBondContact CA-O 3.39Å; T43-S68 PolarHBondContact N-O 3.04Å; T43-S68 PolarHBondContact O-N 3.36Å |
| 69 | C | 89.8 | Confident | 86.2 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 150.5 | -177 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | Q73 C84 | C69-Q73 HydrophobicContact CB-CB 3.83Å; C69-C84 WeakPolarHBondContact CA-SG 3.4Å; C69-C84 HydrophobicContact CB-CB 3.79Å; C69-C84 WeakPolarHBondContact CB-SG 3.41Å; C69-C84 WeakPolarHBondContact SG-CB 3.42Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.43Å |
| 70 | F | 89 | Confident | 87 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 46% | 0.456 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 161.8 | 175.6 | -71.9 | -76.9 | 0 | 0 | 0 | 111.7 | V39 K40 G72 Q73 | V39-F70 HydrophobicContact CG1-CD2 4.2Å; K40-F70 WeakPolarHBondContact O-CD2 3.2Å; K40-F70 WeakPolarHBondContact O-CE2 3.37Å; F70-G72 PolarHBondContact O-N 2.94Å; F70-Q73 WeakPolarHBondContact O-CB 3.27Å; F70-Q73 PolarHBondContact O-N 3.45Å |
| 71 | P | 89.8 | Confident | 87.7 | Confident | 132 Ų | 132 | 74.6 Ų | 74.6 | 86% | 0.857 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 132.6 | 173.3 | -26.3 | 35.3 | 0 | 0 | 0 | 111.9 | Q73 | P71-Q73 VanDerWaalsContact C-N 3.34Š|
| 72 | G | 88.9 | Confident | 88.5 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 56% | 0.557 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -5.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | F70 A87 | F70-G72 PolarHBondContact O-N 2.94Å; G72-A87 VanDerWaalsContact O-CB 3.31Å; G72-A87 WeakPolarHBondContact O-CB 3.44Å; G72-A87 PolarHBondContact O-N 3.27Å |
| 73 | Q | 91.3 | Very high | 89.1 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 154.7 | 175 | -64.2 | -177.8 | -25.5 | 0 | 0 | 112.2 | C69 F70 P71 C84 V85 | C69-Q73 HydrophobicContact CB-CB 3.83Å; F70-Q73 WeakPolarHBondContact O-CB 3.27Å; F70-Q73 PolarHBondContact O-N 3.45Å; P71-Q73 VanDerWaalsContact C-N 3.34Å; Q73-C84 HydrophobicContact CB-CB 4.27Å; Q73-V85 CarbonylContact C-O 3.47Å; Q73-V85 WeakPolarHBondContact CA-O 3.17Å; Q73-V85 WeakPolarHBondContact CB-O 3.43Å |
| 74 | V | 91.3 | Very high | 89.6 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 164 | 174.9 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | G76 C84 V85 A87 V90 | V74-G76 PolarHBondContact O-N 3.49Å; V74-C84 WeakPolarHBondContact O-CA 3.37Å; V74-V85 HydrophobicContact CG2-CG2 4.26Å; V74-V85 PolarHBondContact N-O 3.34Å; V74-V85 PolarHBondContact O-N 2.89Å; V74-A87 HydrophobicContact CG1-CB 3.93Å; V74-V90 HydrophobicContact CG2-CB 4.02Å; V74-V90 HydrophobicContact CG2-CG2 3.54Å |
| 75 | A | 91.4 | Very high | 90.1 | Very high | 62 Ų | 62 | 61 Ų | 61 | 51% | 0.512 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 132.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | C67 | C67-A75 HydrophobicContact CB-CB 3.98Å |
| 76 | G | 92.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 62 Ų | 62 | 13% | 0.134 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | -161.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V74 S83 | V74-G76 PolarHBondContact O-N 3.49Å; G76-S83 CarbonylContact C-O 3.56Å; G76-S83 WeakPolarHBondContact CA-O 3.38Å; G76-S83 PolarHBondContact N-O 3.15Å; G76-S83 PolarHBondContact O-N 3.37Å; G76-S83 VanDerWaalsContact O-O 3.12Å |
| 77 | T | 91.1 | Very high | 90.7 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.1 | -177.7 | -59 | 0 | 0 | 0 | 0 | 110 | M81 M98 P100 W116 | T77-M81 WeakPolarHBondContact CA-O 3.45Å; T77-M98 PolarHBondContact N-SD 3.33Å; T77-M98 VanDerWaalsContact N-SD 3.43Å; T77-M98 VanDerWaalsContact O-CG 3.31Å; T77-M98 WeakPolarHBondContact O-CG 3.2Å; T77-P100 HydrophobicContact CG2-CB 4.27Å; T77-P100 WeakPolarHBondContact O-CA 3.35Å; T77-W116 HydrophobicContact CG2-CZ2 4.32Å |
| 78 | T | 92.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 28% | 0.276 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126.6 | 174.9 | -52.7 | 0 | 0 | 0 | 0 | 107.7 | A80 M81 S83 | T78-A80 PolarHBondContact O-N 3.43Å; T78-M81 PolarHBondContact N-O 2.98Å; T78-M81 WeakPolarHBondContact O-CB 3.48Å; T78-M81 PolarHBondContact O-N 3.05Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 PolarHBondContact N-OG 3.08Å; T78-S83 VanDerWaalsContact N-OG 3.14Å; T78-S83 PolarHBondContact OG1-OG 3.35Å |
| 79 | R | 92.5 | Very high | 91.1 | Very high | 158 Ų | 158 | 55.8 Ų | 55.8 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 54 | -178.4 | -64.2 | -172.8 | -71.3 | -165.6 | -4.2 | 113.4 | M81 Q99 M102 | R79-M81 PolarHBondContact O-N 3.16Å; R79-Q99 PolarHBondContact N-O 2.9Å; R79-M102 HydrophobicContact CB-SD 4.44Å |
| 80 | A | 89.1 | Confident | 91.2 | Very high | 61 Ų | 61 | 56 Ų | 56 | 50% | 0.504 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 18.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T78 P100 M102 | T78-A80 PolarHBondContact O-N 3.43Å; A80-P100 PolarHBondContact N-O 3.41Å; A80-M102 HydrophobicContact CB-CG 4.01Å; A80-M102 HydrophobicContact CB-SD 4.04Å |
| 81 | M | 88.4 | Confident | 91.3 | Very high | 132 Ų | 132 | 54.7 Ų | 54.7 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.5 | 178 | -170.2 | 100 | 92.5 | 0 | 0 | 109.3 | T77 T78 R79 | T77-M81 WeakPolarHBondContact CA-O 3.45Å; T78-M81 PolarHBondContact N-O 2.98Å; T78-M81 WeakPolarHBondContact O-CB 3.48Å; T78-M81 PolarHBondContact O-N 3.05Å; R79-M81 PolarHBondContact O-N 3.16Å |
| 82 | P | 90.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 53 Ų | 53 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 138.3 | 170.9 | 26.7 | -36.6 | 0 | 0 | 0 | 111.8 | C44 V46 V65 | C44-P82 HydrophobicContact CB-CB 3.91Å; C44-P82 HydrophobicContact CB-CG 4.34Å; V46-P82 HydrophobicContact CG2-CG 3.99Å; V65-P82 HydrophobicContact CB-CB 4.28Å; V65-P82 HydrophobicContact CG1-CB 3.37Å; V65-P82 HydrophobicContact CG1-CG 3.92Å; V65-P82 HydrophobicContact CG2-CB 3.95Å; V65-P82 HydrophobicContact CG2-CG 4.1Å |
| 83 | S | 91 | Very high | 91.7 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 156.5 | -175.1 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | C44 G76 T78 | C44-S83 VanDerWaalsContact SG-C 3.51Å; G76-S83 CarbonylContact C-O 3.56Å; G76-S83 WeakPolarHBondContact CA-O 3.38Å; G76-S83 PolarHBondContact N-O 3.15Å; G76-S83 PolarHBondContact O-N 3.37Å; G76-S83 VanDerWaalsContact O-O 3.12Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 PolarHBondContact N-OG 3.08Å; T78-S83 VanDerWaalsContact N-OG 3.14Å; T78-S83 PolarHBondContact OG1-OG 3.35Å |
| 84 | C | 91.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.9 | 166.3 | -65.5 | 0 | 0 | 0 | 0 | 110.3 | G42 C69 Q73 V74 | G42-C84 VanDerWaalsContact CA-SG 3.51Å; C69-C84 WeakPolarHBondContact CA-SG 3.4Å; C69-C84 HydrophobicContact CB-CB 3.79Å; C69-C84 WeakPolarHBondContact CB-SG 3.41Å; C69-C84 WeakPolarHBondContact SG-CB 3.42Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.43Å; Q73-C84 HydrophobicContact CB-CB 4.27Å; V74-C84 WeakPolarHBondContact O-CA 3.37Å |
| 85 | V | 92.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 164.3 | 179.9 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | Q73 V74 A87 I89 V90 M98 | Q73-V85 CarbonylContact C-O 3.47Å; Q73-V85 WeakPolarHBondContact CA-O 3.17Å; Q73-V85 WeakPolarHBondContact CB-O 3.43Å; V74-V85 HydrophobicContact CG2-CG2 4.26Å; V74-V85 PolarHBondContact N-O 3.34Å; V74-V85 PolarHBondContact O-N 2.89Å; V85-A87 PolarHBondContact O-N 3.38Å; V85-I89 HydrophobicContact CB-CD1 4.43Å; V85-V90 HydrophobicContact CG2-CG2 4.29Å; V85-M98 HydrophobicContact CB-CB 4.48Å; V85-M98 HydrophobicContact CG1-CB 3.94Å; V85-M98 HydrophobicContact CG2-CE 4.3Å |
| 86 | D | 92.9 | Very high | 92.3 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 133.5 | 176.4 | -168.2 | -65.7 | 0 | 0 | 0 | 111.1 | S88 I89 | D86-S88 VanDerWaalsContact CG-OG 3.31Å; D86-S88 PolarHBondContact O-N 2.88Å; D86-S88 WeakPolarHBondContact OD1-CB 3.44Å; D86-S88 PolarHBondContact OD1-N 2.94Å; D86-S88 PolarHBondContact OD1-OG 3.43Å; D86-I89 HydrophobicContact CB-CD1 4.22Å; D86-I89 HydrophobicContact CB-CG1 4.27Å; D86-I89 WeakPolarHBondContact O-CB 3.31Å; D86-I89 PolarHBondContact O-N 2.99Å; D86-I89 VanDerWaalsContact O-N 3.08Å |
| 87 | A | 92.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 60.3 Ų | 60.3 | 28% | 0.281 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.9 | -30.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G72 V74 V85 I89 V90 A91 | G72-A87 VanDerWaalsContact O-CB 3.31Å; G72-A87 WeakPolarHBondContact O-CB 3.44Å; G72-A87 PolarHBondContact O-N 3.27Å; V74-A87 HydrophobicContact CG1-CB 3.93Å; V85-A87 PolarHBondContact O-N 3.38Å; A87-I89 VanDerWaalsContact C-N 3.27Å; A87-I89 PolarHBondContact O-N 3.43Å; A87-V90 PolarHBondContact O-N 2.81Å; A87-A91 WeakPolarHBondContact O-CB 3.34Å; A87-A91 PolarHBondContact O-N 3.35Å |
| 88 | S | 93.3 | Very high | 92.6 | Very high | 42 Ų | 42 | 59.1 Ų | 59.1 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.4 | -35.7 | 176.8 | 63 | 0 | 0 | 0 | 0 | 112.3 | D86 V90 A91 Q92 | D86-S88 VanDerWaalsContact CG-OG 3.31Å; D86-S88 PolarHBondContact O-N 2.88Å; D86-S88 WeakPolarHBondContact OD1-CB 3.44Å; D86-S88 PolarHBondContact OD1-N 2.94Å; D86-S88 PolarHBondContact OD1-OG 3.43Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 2.54Å; S88-A91 PolarHBondContact O-N 2.79Å; S88-Q92 VanDerWaalsContact O-CB 3.26Å; S88-Q92 WeakPolarHBondContact O-CB 3.44Å; S88-Q92 WeakPolarHBondContact O-CG 3.46Å; S88-Q92 PolarHBondContact O-N 3.2Å |
| 89 | I | 92.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | -179.6 | -63.3 | 175.5 | 0 | 0 | 0 | 110.5 | V85 D86 A87 K93 W94 M98 | V85-I89 HydrophobicContact CB-CD1 4.43Å; D86-I89 HydrophobicContact CB-CD1 4.22Å; D86-I89 HydrophobicContact CB-CG1 4.27Å; D86-I89 WeakPolarHBondContact O-CB 3.31Å; D86-I89 PolarHBondContact O-N 2.99Å; D86-I89 VanDerWaalsContact O-N 3.08Å; A87-I89 VanDerWaalsContact C-N 3.27Å; A87-I89 PolarHBondContact O-N 3.43Å; I89-K93 CarbonylContact O-C 3.5Å; I89-K93 WeakPolarHBondContact O-CA 3.05Å; I89-K93 PolarHBondContact O-N 2.98Å; I89-W94 HydrophobicContact CG2-CB 4.27Å; I89-W94 VanDerWaalsContact CG2-O 3.29Å; I89-W94 WeakPolarHBondContact CG2-O 3.24Å; I89-W94 PolarHBondContact O-N 3.2Å; I89-M98 HydrophobicContact CD1-CB 4.29Å; I89-M98 HydrophobicContact CG2-CB 4.21Å; I89-M98 HydrophobicContact CG2-CE 3.6Å; I89-M98 HydrophobicContact CG2-CG 4.46Å |
| 90 | V | 91.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.6 | -39.4 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | V74 V85 A87 S88 Q92 K93 W95 M98 | V74-V90 HydrophobicContact CG2-CB 4.02Å; V74-V90 HydrophobicContact CG2-CG2 3.54Å; V85-V90 HydrophobicContact CG2-CG2 4.29Å; A87-V90 PolarHBondContact O-N 2.81Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 2.54Å; V90-Q92 PolarHBondContact O-N 3.38Å; V90-K93 PolarHBondContact O-N 2.87Å; V90-W95 HydrophobicContact CB-CZ3 4.29Å; V90-W95 HydrophobicContact CG1-CH2 4.03Å; V90-W95 HydrophobicContact CG1-CZ3 3.96Å; V90-W95 HydrophobicContact CG2-CZ3 4.21Å; V90-M98 HydrophobicContact CG2-CE 4.26Å |
| 91 | A | 91.9 | Very high | 93.2 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | A87 S88 K93 | A87-A91 WeakPolarHBondContact O-CB 3.34Å; A87-A91 PolarHBondContact O-N 3.35Å; S88-A91 PolarHBondContact O-N 2.79Å; A91-K93 VanDerWaalsContact C-N 3.34Å |
| 92 | Q | 93.6 | Very high | 93.5 | Very high | 97 Ų | 97 | 52.3 Ų | 52.3 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0 | 179.8 | -61.1 | 178 | -66.4 | 0 | 0 | 112.7 | S88 V90 W94 | S88-Q92 VanDerWaalsContact O-CB 3.26Å; S88-Q92 WeakPolarHBondContact O-CB 3.44Å; S88-Q92 WeakPolarHBondContact O-CG 3.46Å; S88-Q92 PolarHBondContact O-N 3.2Å; V90-Q92 PolarHBondContact O-N 3.38Å; Q92-W94 HydrophobicContact CB-CD2 3.75Å; Q92-W94 HydrophobicContact CB-CE3 4.3Å; Q92-W94 HydrophobicContact CB-CG 3.98Å; Q92-W94 HydrophobicContact CB-CZ2 4.17Å; Q92-W94 VanDerWaalsContact CD-CH2 3.5Å; Q92-W94 HydrophobicContact CG-CZ2 4.43Å; Q92-W94 VanDerWaalsContact O-CD1 3.25Å; Q92-W94 PolarHBondContact O-N 3.13Å |
| 93 | K | 94.2 | Very high | 93.7 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 33.5 | 177.9 | -49.7 | -177.7 | -178 | -176.2 | 0 | 112.6 | I89 V90 A91 W95 L113 | I89-K93 CarbonylContact O-C 3.5Å; I89-K93 WeakPolarHBondContact O-CA 3.05Å; I89-K93 PolarHBondContact O-N 2.98Å; V90-K93 PolarHBondContact O-N 2.87Å; A91-K93 VanDerWaalsContact C-N 3.34Å; K93-W95 HydrophobicContact CB-CZ2 3.83Å; K93-W95 HydrophobicContact CG-CZ2 3.89Å; K93-W95 PolarHBondContact O-N 3.5Å; K93-W95 PolarHBondContact O-NE1 2.84Å; K93-L113 HydrophobicContact CB-CB 4.4Å; K93-L113 HydrophobicContact CD-CB 3.49Å; K93-L113 VanDerWaalsContact CD-CB 3.49Å; K93-L113 HydrophobicContact CD-CD1 4.11Å; K93-L113 HydrophobicContact CD-CG 4.43Å; K93-L113 WeakPolarHBondContact CD-O 3.32Å |
| 94 | W | 95.3 | Very high | 93.7 | Very high | 116 Ų | 116 | 62 Ų | 62 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | trans | -82.2 | 51.9 | 178.2 | -65.9 | -14.7 | 0 | 0 | 0 | 111.3 | I89 Q92 C96 Q97 | I89-W94 HydrophobicContact CG2-CB 4.27Å; I89-W94 VanDerWaalsContact CG2-O 3.29Å; I89-W94 WeakPolarHBondContact CG2-O 3.24Å; I89-W94 PolarHBondContact O-N 3.2Å; Q92-W94 HydrophobicContact CB-CD2 3.75Å; Q92-W94 HydrophobicContact CB-CE3 4.3Å; Q92-W94 HydrophobicContact CB-CG 3.98Å; Q92-W94 HydrophobicContact CB-CZ2 4.17Å; Q92-W94 VanDerWaalsContact CD-CH2 3.5Å; Q92-W94 HydrophobicContact CG-CZ2 4.43Å; Q92-W94 VanDerWaalsContact O-CD1 3.25Å; Q92-W94 PolarHBondContact O-N 3.13Å; W94-C96 PolarHBondContact O-N 2.9Å; W94-Q97 HydrophobicContact CB-CB 4.07Å; W94-Q97 VanDerWaalsContact O-CB 3.27Å; W94-Q97 WeakPolarHBondContact O-CB 3.42Å; W94-Q97 PolarHBondContact O-N 3.23Å | ||
| 95 | W | 95.3 | Very high | 94 | Very high | 13 Ų | 13 | 63 Ų | 63 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.6 | -167 | -48.3 | 113.2 | 0 | 0 | 0 | 114.7 | V90 K93 Q97 M98 P100 V109 L113 W116 V129 | V90-W95 HydrophobicContact CB-CZ3 4.29Å; V90-W95 HydrophobicContact CG1-CH2 4.03Å; V90-W95 HydrophobicContact CG1-CZ3 3.96Å; V90-W95 HydrophobicContact CG2-CZ3 4.21Å; K93-W95 HydrophobicContact CB-CZ2 3.83Å; K93-W95 HydrophobicContact CG-CZ2 3.89Å; K93-W95 PolarHBondContact O-N 3.5Å; K93-W95 PolarHBondContact O-NE1 2.84Å; W95-Q97 VanDerWaalsContact C-N 3.34Å; W95-M98 HydrophobicContact CE3-CE 3.95Å; W95-M98 WeakPolarHBondContact O-CG 3.42Å; W95-P100 WeakPolarHBondContact O-CD 3.38Å; W95-V109 HydrophobicContact CB-CG2 4.25Å; W95-L113 WeakPolarHBondContact CZ2-O 3.28Å; W95-L113 PolarHBondContact NE1-O 2.7Å; W95-W116 HydrophobicContact CB-CB 3.9Å; W95-W116 HydrophobicContact CB-CD2 4.34Å; W95-W116 HydrophobicContact CB-CE3 3.87Å; W95-W116 HydrophobicContact CB-CG 4.39Å; W95-W116 HydrophobicContact CD2-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CE3 4.16Å; W95-W116 HydrophobicContact CE3-CZ3 4.09Å; W95-W116 HydrophobicContact CG-CE3 4.13Å; W95-V129 HydrophobicContact CH2-CB 4.42Å; W95-V129 HydrophobicContact CH2-CG2 4.24Å; W95-V129 HydrophobicContact CZ3-CG2 4.09Å |
| 96 | C | 96.1 | Very high | 94.2 | Very high | 40 Ų | 40 | 67.5 Ų | 67.5 | 27% | 0.27 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.4 | 178.5 | -68.9 | 0 | 0 | 0 | 0 | 114.1 | W94 M98 Q99 C107 | W94-C96 PolarHBondContact O-N 2.9Å; C96-M98 VanDerWaalsContact C-N 3.33Å; C96-Q99 PolarHBondContact O-N 2.84Å; C96-Q99 VanDerWaalsContact O-N 3.11Å; C96-C107 WeakPolarHBondContact CA-SG 3.06Å; C96-C107 HydrophobicContact CB-CB 3.85Å; C96-C107 WeakPolarHBondContact CB-SG 3.31Å; C96-C107 WeakPolarHBondContact SG-CB 3.43Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.45Å |
| 97 | Q | 95.1 | Very high | 94.4 | Very high | 118 Ų | 118 | 65.6 Ų | 65.6 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -26.9 | 178.3 | -171 | 169.8 | -13.4 | 0 | 0 | 112.6 | W94 W95 Q99 | W94-Q97 HydrophobicContact CB-CB 4.07Å; W94-Q97 VanDerWaalsContact O-CB 3.27Å; W94-Q97 WeakPolarHBondContact O-CB 3.42Å; W94-Q97 PolarHBondContact O-N 3.23Å; W95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 2.87Å |
| 98 | M | 93.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.049 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -0.5 | 170.3 | 62.7 | 176.2 | 83.1 | 0 | 0 | 113.6 | T77 V85 I89 V90 W95 C96 P100 | T77-M98 PolarHBondContact N-SD 3.33Å; T77-M98 VanDerWaalsContact N-SD 3.43Å; T77-M98 VanDerWaalsContact O-CG 3.31Å; T77-M98 WeakPolarHBondContact O-CG 3.2Å; V85-M98 HydrophobicContact CB-CB 4.48Å; V85-M98 HydrophobicContact CG1-CB 3.94Å; V85-M98 HydrophobicContact CG2-CE 4.3Å; I89-M98 HydrophobicContact CD1-CB 4.29Å; I89-M98 HydrophobicContact CG2-CB 4.21Å; I89-M98 HydrophobicContact CG2-CE 3.6Å; I89-M98 HydrophobicContact CG2-CG 4.46Å; V90-M98 HydrophobicContact CG2-CE 4.26Å; W95-M98 HydrophobicContact CE3-CE 3.95Å; W95-M98 WeakPolarHBondContact O-CG 3.42Å; C96-M98 VanDerWaalsContact C-N 3.33Å; M98-P100 HydrophobicContact CG-CB 4.26Å; M98-P100 HydrophobicContact CG-CG 4.4Å |
| 99 | Q | 95.8 | Very high | 94.8 | Very high | 140 Ų | 140 | 69.4 Ų | 69.4 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | trans | 51.6 | 60.7 | -177.8 | -58.2 | -180 | -45.4 | 0 | 0 | 112.6 | R79 C96 Q97 C101 | R79-Q99 PolarHBondContact N-O 2.9Å; C96-Q99 PolarHBondContact O-N 2.84Å; C96-Q99 VanDerWaalsContact O-N 3.11Å; Q97-Q99 PolarHBondContact O-N 2.87Å; Q99-C101 VanDerWaalsContact C-N 3.3Å; Q99-C101 PolarHBondContact O-N 3.33Å | ||
| 100 | P | 95.3 | Very high | 95 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.019 | 37% | 0.367 | C | S | . | . | trans | -76.6 | -17.5 | -171.4 | 32.7 | -36.7 | 0 | 0 | 0 | 113.5 | T77 A80 W95 M98 W116 | T77-P100 HydrophobicContact CG2-CB 4.27Å; T77-P100 WeakPolarHBondContact O-CA 3.35Å; A80-P100 PolarHBondContact N-O 3.41Å; W95-P100 WeakPolarHBondContact O-CD 3.38Å; M98-P100 HydrophobicContact CG-CB 4.26Å; M98-P100 HydrophobicContact CG-CG 4.4Å; P100-W116 HydrophobicContact CB-CD2 4.35Å; P100-W116 HydrophobicContact CB-CZ2 4Å; P100-W116 HydrophobicContact CG-CD2 4.19Å; P100-W116 HydrophobicContact CG-CG 3.94Å | ||
| 101 | C | 95.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 8% | 0.081 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -88.4 | 160.6 | -176.7 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | Q99 E105 C107 C118 | Q99-C101 VanDerWaalsContact C-N 3.3Å; Q99-C101 PolarHBondContact O-N 3.33Å; C101-E105 HydrophobicContact CB-CB 3.74Å; C101-C107 VanDerWaalsContact SG-CB 3.53Å; C101-C118 WeakPolarHBondContact CA-SG 3.36Å; C101-C118 HydrophobicContact CB-CB 3.71Å; C101-C118 WeakPolarHBondContact CB-SG 3.31Å; C101-C118 WeakPolarHBondContact SG-CA 3.44Å; C101-C118 WeakPolarHBondContact SG-CB 3.44Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 2.83Å |
| 102 | M | 94.8 | Very high | 95.3 | Very high | 98 Ų | 98 | 74 Ų | 74 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 165.4 | 173.7 | -66.9 | -71.2 | -80.2 | 0 | 0 | 111.2 | R79 A80 G104 E105 | R79-M102 HydrophobicContact CB-SD 4.44Å; A80-M102 HydrophobicContact CB-CG 4.01Å; A80-M102 HydrophobicContact CB-SD 4.04Å; M102-G104 PolarHBondContact O-N 2.89Å; M102-E105 HydrophobicContact CB-CG 4.3Å; M102-E105 PolarHBondContact N-OE2 3.37Å; M102-E105 WeakPolarHBondContact O-CB 3.43Å; M102-E105 PolarHBondContact O-N 2.77Å; M102-E105 VanDerWaalsContact O-N 3.08Å |
| 103 | E | 93.3 | Very high | 95.4 | Very high | 176 Ų | 176 | 73.2 Ų | 73.2 | 82% | 0.822 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 134.1 | 171.3 | -71.4 | 178.8 | -169.8 | 0 | 0 | 110.7 | E105 | E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.14Å |
| 104 | G | 92.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 71 Ų | 71 | 74% | 0.742 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -2.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M102 T120 | M102-G104 PolarHBondContact O-N 2.89Å; G104-T120 PolarHBondContact O-OG1 2.92Å; G104-T120 VanDerWaalsContact O-OG1 3.14Å |
| 105 | E | 96.6 | Very high | 95.4 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 139.3 | 169.5 | -66.9 | -178.8 | 156.6 | 0 | 0 | 111 | C101 M102 E103 C118 S119 K125 | C101-E105 HydrophobicContact CB-CB 3.74Å; M102-E105 HydrophobicContact CB-CG 4.3Å; M102-E105 PolarHBondContact N-OE2 3.37Å; M102-E105 WeakPolarHBondContact O-CB 3.43Å; M102-E105 PolarHBondContact O-N 2.77Å; M102-E105 VanDerWaalsContact O-N 3.08Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.14Å; E105-C118 HydrophobicContact CB-CB 4.3Å; E105-C118 WeakPolarHBondContact OE2-CB 3.33Å; E105-S119 WeakPolarHBondContact CA-O 3.43Å; E105-K125 IonicContact OE1-NZ 2.71Å; E105-K125 PolarHBondContact OE1-NZ 2.94Å |
| 106 | E | 96.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 65.3 Ų | 65.3 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126.9 | 173.1 | -171.9 | -168.7 | 178.6 | 0 | 0 | 109.7 | K108 C118 S119 | E106-K108 WeakPolarHBondContact OE1-CE 3.3Å; E106-K108 IonicContact OE1-NZ 2.91Å; E106-K108 PolarHBondContact OE1-NZ 2.95Å; E106-K108 IonicContact OE2-NZ 2.75Å; E106-K108 PolarHBondContact OE2-NZ 3.41Å; E106-C118 WeakPolarHBondContact O-CA 3.36Å; E106-S119 PolarHBondContact N-O 2.82Å; E106-S119 PolarHBondContact O-N 3Å; E106-S119 PolarHBondContact O-OG 3.05Å |
| 107 | C | 97.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | C96 C101 | C96-C107 WeakPolarHBondContact CA-SG 3.06Å; C96-C107 HydrophobicContact CB-CB 3.85Å; C96-C107 WeakPolarHBondContact CB-SG 3.31Å; C96-C107 WeakPolarHBondContact SG-CB 3.43Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.45Å; C101-C107 VanDerWaalsContact SG-CB 3.53Å |
| 108 | K | 97 | Very high | 95.6 | Very high | 97 Ų | 97 | 59 Ų | 59 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.4 | 172.1 | -73.1 | 175.4 | 169.7 | 133.4 | 0 | 110.8 | E106 W116 S117 | E106-K108 WeakPolarHBondContact OE1-CE 3.3Å; E106-K108 IonicContact OE1-NZ 2.91Å; E106-K108 PolarHBondContact OE1-NZ 2.95Å; E106-K108 IonicContact OE2-NZ 2.75Å; E106-K108 PolarHBondContact OE2-NZ 3.41Å; K108-W116 CarbonylContact O-C 3.47Å; K108-W116 VanDerWaalsContact O-CA 3.24Å; K108-W116 WeakPolarHBondContact O-CA 3.09Å; K108-W116 WeakPolarHBondContact O-CB 3.04Å; K108-S117 PolarHBondContact N-O 3.26Å; K108-S117 PolarHBondContact O-N 3.35Å |
| 109 | V | 96.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 138 | 170.9 | 170 | 0 | 0 | 0 | 0 | 109.1 | W95 L113 | W95-V109 HydrophobicContact CB-CG2 4.25Å; V109-L113 HydrophobicContact CG1-CD2 3.73Å |
| 110 | L | 96.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | trans | -66.4 | 146.4 | 176.3 | -65.2 | 179.2 | 0 | 0 | 0 | 111.1 | D112 L113 G115 T126 K128 | L110-D112 VanDerWaalsContact CB-OD1 3.27Å; L110-D112 WeakPolarHBondContact CB-OD1 3.06Å; L110-D112 PolarHBondContact O-N 2.77Å; L110-L113 WeakPolarHBondContact O-CA 3.06Å; L110-L113 PolarHBondContact O-N 3.02Å; L110-G115 PolarHBondContact N-O 3.49Å; L110-T126 HydrophobicContact CD1-CG2 3.94Å; L110-T126 HydrophobicContact CD2-CG2 4.02Å; L110-K128 HydrophobicContact CD1-CG 3.88Å | ||
| 111 | P | 95.2 | Very high | 95.6 | Very high | 133 Ų | 133 | 59.3 Ų | 59.3 | 86% | 0.864 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.9 | -179.3 | -24.7 | 33.8 | 0 | 0 | 0 | 114.4 | L113 | P111-L113 PolarHBondContact O-N 2.81Š|
| 112 | D | 95.1 | Very high | 95.2 | Very high | 81 Ų | 81 | 66.9 Ų | 66.9 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.1 | 177.2 | 62.6 | 7.4 | 0 | 0 | 0 | 113.1 | L110 T114 | L110-D112 VanDerWaalsContact CB-OD1 3.27Å; L110-D112 WeakPolarHBondContact CB-OD1 3.06Å; L110-D112 PolarHBondContact O-N 2.77Å; D112-T114 HydrophobicContact CB-CG2 4.03Å; D112-T114 VanDerWaalsContact CG-CG2 3.46Å; D112-T114 PolarHBondContact O-N 2.85Å; D112-T114 VanDerWaalsContact O-N 3.12Å; D112-T114 WeakPolarHBondContact OD1-CB 3.33Å; D112-T114 PolarHBondContact OD1-N 3.32Å; D112-T114 PolarHBondContact OD1-OG1 3.41Å; D112-T114 PolarHBondContact OD2-OG1 3.48Å |
| 113 | L | 94.5 | Very high | 95 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 41% | 0.414 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 57.1 | 19.4 | -175.8 | -48.5 | 173.2 | 0 | 0 | 0 | 113.5 | K93 W95 V109 L110 P111 G115 | K93-L113 HydrophobicContact CB-CB 4.4Å; K93-L113 HydrophobicContact CD-CB 3.49Å; K93-L113 VanDerWaalsContact CD-CB 3.49Å; K93-L113 HydrophobicContact CD-CD1 4.11Å; K93-L113 HydrophobicContact CD-CG 4.43Å; K93-L113 WeakPolarHBondContact CD-O 3.32Å; W95-L113 WeakPolarHBondContact CZ2-O 3.28Å; W95-L113 PolarHBondContact NE1-O 2.7Å; V109-L113 HydrophobicContact CG1-CD2 3.73Å; L110-L113 WeakPolarHBondContact O-CA 3.06Å; L110-L113 PolarHBondContact O-N 3.02Å; P111-L113 PolarHBondContact O-N 2.81Å; L113-G115 VanDerWaalsContact C-N 3.29Å |
| 114 | T | 94.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -84.9 | -3.5 | -179.6 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | D112 V129 | D112-T114 HydrophobicContact CB-CG2 4.03Å; D112-T114 VanDerWaalsContact CG-CG2 3.46Å; D112-T114 PolarHBondContact O-N 2.85Å; D112-T114 VanDerWaalsContact O-N 3.12Å; D112-T114 WeakPolarHBondContact OD1-CB 3.33Å; D112-T114 PolarHBondContact OD1-N 3.32Å; D112-T114 PolarHBondContact OD1-OG1 3.41Å; D112-T114 PolarHBondContact OD2-OG1 3.48Å; T114-V129 PolarHBondContact O-N 2.98Å |
| 115 | G | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -148.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L110 L113 T127 | L110-G115 PolarHBondContact N-O 3.49Å; L113-G115 VanDerWaalsContact C-N 3.29Å; G115-T127 WeakPolarHBondContact CA-O 3.36Å |
| 116 | W | 96.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 70.2 Ų | 70.2 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 167.3 | -174.5 | 65.7 | 96 | 0 | 0 | 0 | 112.3 | T77 W95 P100 K108 T127 V129 | T77-W116 HydrophobicContact CG2-CZ2 4.32Å; W95-W116 HydrophobicContact CB-CB 3.9Å; W95-W116 HydrophobicContact CB-CD2 4.34Å; W95-W116 HydrophobicContact CB-CE3 3.87Å; W95-W116 HydrophobicContact CB-CG 4.39Å; W95-W116 HydrophobicContact CD2-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CE3 4.16Å; W95-W116 HydrophobicContact CE3-CZ3 4.09Å; W95-W116 HydrophobicContact CG-CE3 4.13Å; P100-W116 HydrophobicContact CB-CD2 4.35Å; P100-W116 HydrophobicContact CB-CZ2 4Å; P100-W116 HydrophobicContact CG-CD2 4.19Å; P100-W116 HydrophobicContact CG-CG 3.94Å; K108-W116 CarbonylContact O-C 3.47Å; K108-W116 VanDerWaalsContact O-CA 3.24Å; K108-W116 WeakPolarHBondContact O-CA 3.09Å; K108-W116 WeakPolarHBondContact O-CB 3.04Å; W116-T127 HydrophobicContact CH2-CG2 3.45Å; W116-T127 VanDerWaalsContact CH2-CG2 3.45Å; W116-T127 HydrophobicContact CZ2-CG2 3.42Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.42Å; W116-T127 HydrophobicContact CZ3-CG2 4.02Å; W116-T127 PolarHBondContact N-O 3.35Å; W116-T127 PolarHBondContact O-N 2.04Å; W116-V129 HydrophobicContact CZ3-CG2 3.81Å |
| 117 | S | 96.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 68 Ų | 68 | 11% | 0.112 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.9 | 169.1 | 62 | 0 | 0 | 0 | 0 | 110.9 | K108 K125 | K108-S117 PolarHBondContact N-O 3.26Å; K108-S117 PolarHBondContact O-N 3.35Å; S117-K125 CarbonylContact C-O 3.55Å; S117-K125 WeakPolarHBondContact CA-O 3.34Å |
| 118 | C | 97 | Very high | 94.1 | Very high | 8 Ų | 8 | 72.6 Ų | 72.6 | 5% | 0.054 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.6 | 170.3 | -59 | 0 | 0 | 0 | 0 | 108.7 | C101 E105 E106 K125 | C101-C118 WeakPolarHBondContact CA-SG 3.36Å; C101-C118 HydrophobicContact CB-CB 3.71Å; C101-C118 WeakPolarHBondContact CB-SG 3.31Å; C101-C118 WeakPolarHBondContact SG-CA 3.44Å; C101-C118 WeakPolarHBondContact SG-CB 3.44Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 2.83Å; E105-C118 HydrophobicContact CB-CB 4.3Å; E105-C118 WeakPolarHBondContact OE2-CB 3.33Å; E106-C118 WeakPolarHBondContact O-CA 3.36Å; C118-K125 HydrophobicContact CB-CB 4.48Å; C118-K125 PolarHBondContact N-O 2.83Å; C118-K125 PolarHBondContact O-N 2.05Å |
| 119 | S | 96.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135 | -179.4 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | E105 E106 K123 | E105-S119 WeakPolarHBondContact CA-O 3.43Å; E106-S119 PolarHBondContact N-O 2.82Å; E106-S119 PolarHBondContact O-N 3Å; E106-S119 PolarHBondContact O-OG 3.05Å; S119-K123 WeakPolarHBondContact CA-O 3.11Å |
| 120 | T | 96.1 | Very high | 92.9 | Very high | 61 Ų | 61 | 74.7 Ų | 74.7 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 110.1 | 170.4 | -122.7 | 0 | 0 | 0 | 0 | 108.7 | G104 N122 K123 | G104-T120 PolarHBondContact O-OG1 2.92Å; G104-T120 VanDerWaalsContact O-OG1 3.14Å; T120-N122 PolarHBondContact O-N 2.84Å; T120-N122 VanDerWaalsContact O-N 3.14Å; T120-K123 PolarHBondContact N-O 3.37Å; T120-K123 PolarHBondContact O-N 3.27Å |
| 121 | G | 90.9 | Very high | 91.4 | Very high | 77 Ų | 77 | 88.5 Ų | 88.5 | 79% | 0.794 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -119.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 122 | N | 89.4 | Confident | 91.2 | Very high | 172 Ų | 172 | 86.3 Ų | 86.3 | 92% | 0.92 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.2 | 179.5 | -61.8 | -21.7 | 0 | 0 | 0 | 114.2 | T120 | T120-N122 PolarHBondContact O-N 2.84Å; T120-N122 VanDerWaalsContact O-N 3.14Å |
| 123 | K | 88.9 | Confident | 91 | Very high | 156 Ų | 156 | 86.6 Ų | 86.6 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.4 | -179.8 | -64.2 | -178.7 | -179 | 178.4 | 0 | 109.4 | S119 T120 | S119-K123 WeakPolarHBondContact CA-O 3.11Å; T120-K123 PolarHBondContact N-O 3.37Å; T120-K123 PolarHBondContact O-N 3.27Å |
| 124 | V | 91.9 | Very high | 90.8 | Very high | 95 Ų | 95 | 87 Ų | 87 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.4 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 125 | K | 91.4 | Very high | 90.5 | Very high | 118 Ų | 118 | 89.3 Ų | 89.3 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.8 | 172.1 | -61.9 | 169.9 | -174 | 160.1 | 0 | 107.9 | E105 S117 C118 | E105-K125 IonicContact OE1-NZ 2.71Å; E105-K125 PolarHBondContact OE1-NZ 2.94Å; S117-K125 CarbonylContact C-O 3.55Å; S117-K125 WeakPolarHBondContact CA-O 3.34Å; C118-K125 HydrophobicContact CB-CB 4.48Å; C118-K125 PolarHBondContact N-O 2.83Å; C118-K125 PolarHBondContact O-N 2.05Å |
| 126 | T | 91.9 | Very high | 90.2 | Very high | 79 Ų | 79 | 94.9 Ų | 94.9 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.8 | -179.2 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | L110 K128 | L110-T126 HydrophobicContact CD1-CG2 3.94Å; L110-T126 HydrophobicContact CD2-CG2 4.02Å; T126-K128 HydrophobicContact CG2-CG 4.35Å |
| 127 | T | 91.6 | Very high | 89.8 | Confident | 58 Ų | 58 | 100.6 Ų | 100.6 | 36% | 0.356 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.3 | 173.2 | -56 | 0 | 0 | 0 | 0 | 108.6 | G115 W116 | G115-T127 WeakPolarHBondContact CA-O 3.36Å; W116-T127 HydrophobicContact CH2-CG2 3.45Å; W116-T127 VanDerWaalsContact CH2-CG2 3.45Å; W116-T127 HydrophobicContact CZ2-CG2 3.42Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.42Å; W116-T127 HydrophobicContact CZ3-CG2 4.02Å; W116-T127 PolarHBondContact N-O 3.35Å; W116-T127 PolarHBondContact O-N 2.04Å |
| 128 | K | 91.2 | Very high | 89.3 | Confident | 136 Ų | 136 | 106.6 Ų | 106.6 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.2 | 174.5 | -68.2 | -168.9 | 175.7 | -165.2 | 0 | 109.6 | L110 T126 | L110-K128 HydrophobicContact CD1-CG 3.88Å; T126-K128 HydrophobicContact CG2-CG 4.35Å |
| 129 | V | 87.9 | Confident | 88.7 | Confident | 65 Ų | 65 | 114.2 Ų | 114.2 | 39% | 0.394 | 60% | 0.603 | S | S | . | * | trans | -103.6 | 114.7 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | W95 T114 W116 | W95-V129 HydrophobicContact CH2-CB 4.42Å; W95-V129 HydrophobicContact CH2-CG2 4.24Å; W95-V129 HydrophobicContact CZ3-CG2 4.09Å; T114-V129 PolarHBondContact O-N 2.98Å; W116-V129 HydrophobicContact CZ3-CG2 3.81Å | ||
| 130 | T | 81.9 | Confident | 88.1 | Confident | 134 Ų | 134 | 121.9 Ų | 121.9 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | trans | -93.7 | 133 | 170 | 52.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 131 | R | 64.1 | Low | 87.4 | Confident | 312 Ų | 312 | 127.5 Ų | 127.5 | 100% | 1.177 | 66% | 0.664 | S | S | * | * | trans | -88.6 | 0 | 177 | -134.1 | -177 | -170 | 176.3 | 2.8 | 111.2 |
Retrieved 131 of 131 residues in 262.8 ms
(Link to these results)