| 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 | 44.8 | Very low | 65.6 | Low | 245 Ų | 245 | 150.3 Ų | 150.3 | 100% | 1.207 | 74% | 0.741 | S | S | * | * | 0 | 91.7 | 0 | -82.9 | 174 | 157.9 | 0 | 0 | 109.5 | |||||
| 2 | A | 47.2 | Very low | 67.2 | Low | 102 Ų | 102 | 150.3 Ų | 150.3 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -106.7 | 105.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | R4 | A2-R4 PolarHBondContact O-N 3.37Š| ||
| 3 | R | 54.5 | Low | 68.6 | Low | 244 Ų | 244 | 146 Ų | 146 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -63.3 | 121.5 | 178.2 | -66 | 178.1 | -178.1 | -162.7 | -0.3 | 108.5 | G5 | R3-G5 PolarHBondContact O-N 2.82Š| ||
| 4 | R | 62.9 | Low | 69.7 | Low | 229 Ų | 229 | 142.7 Ų | 142.7 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | -63.7 | 102.9 | 171.6 | -78.5 | 176.4 | -168.2 | 158.7 | 4.7 | 108.4 | A2 Y6 | A2-R4 PolarHBondContact O-N 3.37Å; R4-Y6 PolarHBondContact O-N 2.96Å; R4-Y6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | G | 61.1 | Low | 70.9 | Confident | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | trans | -65.5 | 106.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | R3 S7 | R3-G5 PolarHBondContact O-N 2.82Å; G5-S7 PolarHBondContact O-N 3.03Å | ||
| 6 | Y | 63.9 | Low | 71.9 | Confident | 177 Ų | 177 | 135.5 Ų | 135.5 | 69% | 0.694 | 66% | 0.661 | S | S | * | * | trans | -65.1 | 100.8 | 167.9 | -79.9 | -85.7 | 0 | 0 | 0 | 108.1 | R4 H10 | R4-Y6 PolarHBondContact O-N 2.96Å; R4-Y6 VanDerWaalsContact O-N 3.12Å; Y6-H10 HydrophobicContact CD1-CB 4.27Å; Y6-H10 AromaticContact CD1-CE1 3.85Å; Y6-H10 AromaticContact CD1-CG 3.78Å; Y6-H10 AromaticContact CD1-ND1 3.51Å; Y6-H10 AromaticContact CE1-CE1 3.56Å; Y6-H10 AromaticContact CE1-ND1 3.72Å; Y6-H10 AromaticContact CE1-NE2 3.95Å | ||
| 7 | S | 71.5 | Confident | 72.8 | Confident | 67 Ų | 67 | 134.4 Ų | 134.4 | 47% | 0.469 | 65% | 0.651 | S | S | . | * | trans | -53.8 | 142.5 | 170.9 | 158.5 | 0 | 0 | 0 | 0 | 110.1 | G5 Q9 H10 | G5-S7 PolarHBondContact O-N 3.03Å; S7-Q9 PolarHBondContact O-N 3.42Å; S7-Q9 WeakPolarHBondContact OG-CB 3.27Å; S7-Q9 PolarHBondContact OG-N 3.17Å; S7-H10 WeakPolarHBondContact O-CB 3.39Å; S7-H10 PolarHBondContact O-N 3.35Å | ||
| 8 | K | 76.3 | Confident | 73.5 | Confident | 165 Ų | 165 | 133 Ų | 133 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -47.7 | -33.1 | 173.7 | -69.2 | -176.8 | 176.7 | -177.8 | 0 | 112 | H10 M11 Y12 | K8-H10 VanDerWaalsContact C-N 3.34Å; K8-H10 PolarHBondContact O-N 3.39Å; K8-M11 WeakPolarHBondContact O-CB 3.48Å; K8-M11 PolarHBondContact O-N 2.9Å; K8-M11 VanDerWaalsContact O-N 3.17Å; K8-Y12 VanDerWaalsContact O-CD2 3.25Å; K8-Y12 WeakPolarHBondContact O-CD2 3.45Å; K8-Y12 PolarHBondContact O-N 3.36Å; K8-Y12 VanDerWaalsContact O-N 3.09Å |
| 9 | Q | 77 | Confident | 74.2 | Confident | 147 Ų | 147 | 131.6 Ų | 131.6 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.2 | -40 | 175.7 | -63.5 | -68.7 | -18.3 | 0 | 0 | 112.9 | S7 M11 Y12 L13 | S7-Q9 PolarHBondContact O-N 3.42Å; S7-Q9 WeakPolarHBondContact OG-CB 3.27Å; S7-Q9 PolarHBondContact OG-N 3.17Å; Q9-M11 VanDerWaalsContact C-N 3.32Å; Q9-M11 PolarHBondContact O-N 2.98Å; Q9-Y12 PolarHBondContact O-N 3.12Å; Q9-L13 WeakPolarHBondContact O-CB 3.43Å; Q9-L13 PolarHBondContact O-N 2.92Å |
| 10 | H | 80.7 | Confident | 74.6 | Confident | 81 Ų | 81 | 129.6 Ų | 129.6 | 38% | 0.375 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.6 | -32.1 | 178.2 | -168.9 | -72 | 0 | 0 | 0 | 111.7 | Y6 S7 K8 Q14 | Y6-H10 HydrophobicContact CD1-CB 4.27Å; Y6-H10 AromaticContact CD1-CE1 3.85Å; Y6-H10 AromaticContact CD1-CG 3.78Å; Y6-H10 AromaticContact CD1-ND1 3.51Å; Y6-H10 AromaticContact CE1-CE1 3.56Å; Y6-H10 AromaticContact CE1-ND1 3.72Å; Y6-H10 AromaticContact CE1-NE2 3.95Å; S7-H10 WeakPolarHBondContact O-CB 3.39Å; S7-H10 PolarHBondContact O-N 3.35Å; K8-H10 VanDerWaalsContact C-N 3.34Å; K8-H10 PolarHBondContact O-N 3.39Å; H10-Q14 PolarHBondContact CE1-NE2 3.16Å; H10-Q14 VanDerWaalsContact O-CG 3.23Å; H10-Q14 WeakPolarHBondContact O-CG 3.36Å; H10-Q14 PolarHBondContact O-N 3.39Å; H10-Q14 VanDerWaalsContact O-N 3.12Å |
| 11 | M | 81.3 | Confident | 74.9 | Confident | 121 Ų | 121 | 127.6 Ų | 127.6 | 60% | 0.596 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.1 | -47.5 | 174.4 | -167.6 | -161.7 | -56.7 | 0 | 0 | 111.1 | K8 Q9 L13 Q14 I15 | K8-M11 WeakPolarHBondContact O-CB 3.48Å; K8-M11 PolarHBondContact O-N 2.9Å; K8-M11 VanDerWaalsContact O-N 3.17Å; Q9-M11 VanDerWaalsContact C-N 3.32Å; Q9-M11 PolarHBondContact O-N 2.98Å; M11-L13 VanDerWaalsContact C-N 3.33Å; M11-L13 PolarHBondContact O-N 2.96Å; M11-Q14 PolarHBondContact O-N 3.4Å; M11-I15 HydrophobicContact CG-CD1 4.21Å; M11-I15 WeakPolarHBondContact O-CG1 3.35Å; M11-I15 PolarHBondContact O-N 3Å |
| 12 | Y | 85.3 | Confident | 76.6 | Confident | 150 Ų | 150 | 119.7 Ų | 119.7 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.3 | -42.7 | 175.9 | -82.3 | -76 | 0 | 0 | 0 | 112.1 | K8 Q9 Q14 I15 I16 | K8-Y12 VanDerWaalsContact O-CD2 3.25Å; K8-Y12 WeakPolarHBondContact O-CD2 3.45Å; K8-Y12 PolarHBondContact O-N 3.36Å; K8-Y12 VanDerWaalsContact O-N 3.09Å; Q9-Y12 PolarHBondContact O-N 3.12Å; Y12-Q14 VanDerWaalsContact C-N 3.32Å; Y12-Q14 PolarHBondContact O-N 3.45Å; Y12-I15 PolarHBondContact O-N 3.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.4Å; Y12-I16 PolarHBondContact O-N 3.32Å |
| 13 | L | 85.1 | Confident | 78 | Confident | 95 Ų | 95 | 122.1 Ų | 122.1 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -35.6 | 179 | -161.4 | 70.5 | 0 | 0 | 0 | 112.5 | Q9 M11 K17 | Q9-L13 WeakPolarHBondContact O-CB 3.43Å; Q9-L13 PolarHBondContact O-N 2.92Å; M11-L13 VanDerWaalsContact C-N 3.33Å; M11-L13 PolarHBondContact O-N 2.96Å; L13-K17 WeakPolarHBondContact O-CB 3.35Å; L13-K17 VanDerWaalsContact O-CG 3.3Å; L13-K17 WeakPolarHBondContact O-CG 3.5Å; L13-K17 PolarHBondContact O-N 2.99Å |
| 14 | Q | 84.4 | Confident | 78.8 | Confident | 100 Ų | 100 | 115.8 Ų | 115.8 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67 | -40.8 | 173.9 | -73.9 | -76.4 | -14.8 | 0 | 0 | 111.8 | H10 M11 Y12 K17 L18 | H10-Q14 PolarHBondContact CE1-NE2 3.16Å; H10-Q14 VanDerWaalsContact O-CG 3.23Å; H10-Q14 WeakPolarHBondContact O-CG 3.36Å; H10-Q14 PolarHBondContact O-N 3.39Å; H10-Q14 VanDerWaalsContact O-N 3.12Å; M11-Q14 PolarHBondContact O-N 3.4Å; Y12-Q14 VanDerWaalsContact C-N 3.32Å; Y12-Q14 PolarHBondContact O-N 3.45Å; Q14-K17 PolarHBondContact O-N 2.91Å; Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 PolarHBondContact O-N 3.4Å |
| 15 | I | 87.3 | Confident | 78.9 | Confident | 82 Ų | 82 | 112.5 Ų | 112.5 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.6 | -43.1 | 176.5 | -66.1 | 164.1 | 0 | 0 | 0 | 111 | M11 Y12 L18 L19 | M11-I15 HydrophobicContact CG-CD1 4.21Å; M11-I15 WeakPolarHBondContact O-CG1 3.35Å; M11-I15 PolarHBondContact O-N 3Å; Y12-I15 PolarHBondContact O-N 3.45Å; I15-L18 PolarHBondContact O-N 2.94Å; I15-L19 HydrophobicContact CG2-CD1 4.17Å; I15-L19 PolarHBondContact O-N 2.99Å |
| 16 | I | 87.7 | Confident | 79 | Confident | 88 Ų | 88 | 115.6 Ų | 115.6 | 45% | 0.451 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -43.5 | 177.1 | -67.1 | 165 | 0 | 0 | 0 | 110.7 | Y12 L18 L19 I20 | Y12-I16 WeakPolarHBondContact O-CG1 3.4Å; Y12-I16 PolarHBondContact O-N 3.32Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 2.94Å; I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.37Å |
| 17 | K | 86.7 | Confident | 79.1 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 174.7 | -76.7 | 177.4 | 177.5 | -175.9 | 0 | 111.8 | L13 Q14 I20 V21 | L13-K17 WeakPolarHBondContact O-CB 3.35Å; L13-K17 VanDerWaalsContact O-CG 3.3Å; L13-K17 WeakPolarHBondContact O-CG 3.5Å; L13-K17 PolarHBondContact O-N 2.99Å; Q14-K17 PolarHBondContact O-N 2.91Å; K17-I20 PolarHBondContact O-N 3.43Å; K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.31Å; K17-V21 PolarHBondContact O-N 2.91Å |
| 18 | L | 85.9 | Confident | 78.8 | Confident | 110 Ų | 110 | 112.5 Ų | 112.5 | 58% | 0.576 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.3 | -44 | 176.3 | -175.4 | 65.8 | 0 | 0 | 0 | 111.6 | Q14 I15 I16 V21 I22 | Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 PolarHBondContact O-N 3.4Å; I15-L18 PolarHBondContact O-N 2.94Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.9Å; L18-V21 PolarHBondContact O-N 3.33Å; L18-I22 HydrophobicContact CD1-CD1 4.34Å; L18-I22 HydrophobicContact CG-CD1 3.94Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.42Å |
| 19 | L | 85.6 | Confident | 78.5 | Confident | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | 176.7 | -84.8 | 166 | 0 | 0 | 0 | 112.7 | I15 I16 I22 F23 | I15-L19 HydrophobicContact CG2-CD1 4.17Å; I15-L19 PolarHBondContact O-N 2.99Å; I16-L19 PolarHBondContact O-N 2.94Å; L19-I22 PolarHBondContact O-N 3Å; L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 2.92Å |
| 20 | I | 83.7 | Confident | 78.5 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -43.4 | 176.1 | -68.8 | 165.9 | 0 | 0 | 0 | 110.5 | I16 K17 F23 L24 | I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.37Å; K17-I20 PolarHBondContact O-N 3.43Å; I20-F23 PolarHBondContact O-N 3.06Å; I20-L24 HydrophobicContact CG2-CD1 3.9Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CB 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.33Å; I20-L24 PolarHBondContact O-N 3.48Å |
| 21 | V | 80.8 | Confident | 78.6 | Confident | 88 Ų | 88 | 108.7 Ų | 108.7 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.6 | -43.5 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | K17 L18 L24 F25 | K17-V21 VanDerWaalsContact O-CG2 3.3Å; K17-V21 WeakPolarHBondContact O-CG2 3.31Å; K17-V21 PolarHBondContact O-N 2.91Å; L18-V21 PolarHBondContact O-N 3.33Å; V21-L24 PolarHBondContact O-N 3.02Å; V21-F25 WeakPolarHBondContact O-CB 3.5Å; V21-F25 PolarHBondContact O-N 3.5Å |
| 22 | I | 80.3 | Confident | 78.9 | Confident | 79 Ų | 79 | 111.5 Ų | 111.5 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61 | -46.6 | 175.4 | -69.7 | 167.2 | 0 | 0 | 0 | 110.4 | L18 L19 L24 F25 L26 | L18-I22 HydrophobicContact CD1-CD1 4.34Å; L18-I22 HydrophobicContact CG-CD1 3.94Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.42Å; L19-I22 PolarHBondContact O-N 3Å; I22-L24 PolarHBondContact O-N 3.49Å; I22-F25 PolarHBondContact O-N 3.49Å; I22-L26 HydrophobicContact CG2-CD1 3.57Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 WeakPolarHBondContact O-CD1 3.45Å; I22-L26 PolarHBondContact O-N 3.33Å |
| 23 | F | 76.3 | Confident | 79 | Confident | 153 Ų | 153 | 113.6 Ų | 113.6 | 67% | 0.671 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.2 | -40.5 | 179.3 | -169.2 | -96.3 | 0 | 0 | 0 | 112 | L19 I20 L26 A27 | L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 2.92Å; I20-F23 PolarHBondContact O-N 3.06Å; F23-L26 PolarHBondContact O-N 3.07Å; F23-A27 WeakPolarHBondContact O-CA 3.41Å; F23-A27 WeakPolarHBondContact O-CB 3.39Å; F23-A27 PolarHBondContact O-N 3.47Å |
| 24 | L | 70.2 | Confident | 79.4 | Confident | 111 Ų | 111 | 112 Ų | 112 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -35.7 | 177 | -73.3 | 172.7 | 0 | 0 | 0 | 112.8 | I20 V21 I22 A27 M28 | I20-L24 HydrophobicContact CG2-CD1 3.9Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CB 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.33Å; I20-L24 PolarHBondContact O-N 3.48Å; V21-L24 PolarHBondContact O-N 3.02Å; I22-L24 PolarHBondContact O-N 3.49Å; L24-A27 CarbonylContact O-C 3.5Å; L24-A27 PolarHBondContact O-N 3.29Å; L24-M28 PolarHBondContact O-N 3.24Å |
| 25 | F | 66.2 | Low | 79.8 | Confident | 160 Ų | 160 | 113.1 Ų | 113.1 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.1 | -37.8 | 175.6 | -132.1 | -91.6 | 0 | 0 | 0 | 111.8 | V21 I22 A27 M28 | V21-F25 WeakPolarHBondContact O-CB 3.5Å; V21-F25 PolarHBondContact O-N 3.5Å; I22-F25 PolarHBondContact O-N 3.49Å; F25-A27 VanDerWaalsContact C-N 3.32Å; F25-M28 PolarHBondContact O-N 3.42Å |
| 26 | L | 63.4 | Low | 80.1 | Confident | 140 Ų | 140 | 118.8 Ų | 118.8 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.2 | -24.4 | 170.7 | -87.9 | 136 | 0 | 0 | 0 | 112.8 | I22 F23 M28 | I22-L26 HydrophobicContact CG2-CD1 3.57Å; I22-L26 WeakPolarHBondContact O-CB 3.38Å; I22-L26 WeakPolarHBondContact O-CD1 3.45Å; I22-L26 PolarHBondContact O-N 3.33Å; F23-L26 PolarHBondContact O-N 3.07Å; L26-M28 VanDerWaalsContact C-N 3.32Å |
| 27 | A | 64.7 | Low | 80.5 | Confident | 48 Ų | 48 | 120.2 Ų | 120.2 | 40% | 0.397 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | 10.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F23 L24 F25 T29 | F23-A27 WeakPolarHBondContact O-CA 3.41Å; F23-A27 WeakPolarHBondContact O-CB 3.39Å; F23-A27 PolarHBondContact O-N 3.47Å; L24-A27 CarbonylContact O-C 3.5Å; L24-A27 PolarHBondContact O-N 3.29Å; F25-A27 VanDerWaalsContact C-N 3.32Å; A27-T29 PolarHBondContact O-N 3Å |
| 28 | M | 65.4 | Low | 80.9 | Confident | 131 Ų | 131 | 119.7 Ų | 119.7 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -60.4 | 108.7 | 157.1 | -71.9 | -164.7 | 74.3 | 0 | 0 | 107.6 | L24 F25 L26 T30 | L24-M28 PolarHBondContact O-N 3.24Å; F25-M28 PolarHBondContact O-N 3.42Å; L26-M28 VanDerWaalsContact C-N 3.32Å; M28-T30 PolarHBondContact O-N 3.48Å |
| 29 | T | 70.7 | Confident | 81.2 | Confident | 113 Ų | 113 | 119.5 Ų | 119.5 | 69% | 0.693 | 65% | 0.651 | S | S | * | * | trans | -63.1 | 105.9 | -168.4 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | A27 A31 | A27-T29 PolarHBondContact O-N 3Å; T29-A31 PolarHBondContact O-N 3.43Å | ||
| 30 | T | 76.4 | Confident | 81.5 | Confident | 123 Ų | 123 | 122.6 Ų | 122.6 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 5 | -178.7 | 55 | 0 | 0 | 0 | 0 | 114.2 | M28 | M28-T30 PolarHBondContact O-N 3.48Š|
| 31 | A | 84 | Confident | 81.8 | Confident | 76 Ų | 76 | 121.1 Ų | 121.1 | 63% | 0.628 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -37.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T29 R33 | T29-A31 PolarHBondContact O-N 3.43Å; A31-R33 PolarHBondContact O-N 3.04Å |
| 32 | H | 87.5 | Confident | 82.1 | Confident | 180 Ų | 180 | 118.4 Ų | 118.4 | 83% | 0.833 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -86 | 88.1 | 176.3 | -68.9 | -75.9 | 0 | 0 | 0 | 110.2 | ||
| 33 | R | 87.9 | Confident | 82.2 | Confident | 195 Ų | 195 | 124 Ų | 124 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | -113.2 | 150.9 | 175.9 | 64 | -179.6 | -180 | -90.2 | 1.1 | 111.3 | A31 | A31-R33 PolarHBondContact O-N 3.04Š| ||
| 34 | A | 92.5 | Very high | 82.4 | Confident | 62 Ų | 62 | 118.4 Ų | 118.4 | 51% | 0.512 | 67% | 0.667 | S | S | . | * | trans | -65.7 | 151.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y36 | A34-Y36 HydrophobicContact CB-CE1 4.4Å; A34-Y36 HydrophobicContact CB-CE2 4.25Å; A34-Y36 PolarHBondContact O-N 3.02Å | ||
| 35 | T | 93.5 | Very high | 82.6 | Confident | 122 Ų | 122 | 117.5 Ų | 117.5 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | trans | -84.5 | 103.4 | 171.7 | -53.8 | 0 | 0 | 0 | 0 | 108.7 | T37 | T35-T37 VanDerWaalsContact CG2-O 3.31Å; T35-T37 WeakPolarHBondContact CG2-O 3.29Å | ||
| 36 | Y | 93.7 | Very high | 83.2 | Confident | 201 Ų | 201 | 114.9 Ų | 114.9 | 79% | 0.788 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -84.6 | -31.7 | 177 | -63.4 | -73.8 | 0 | 0 | 0 | 112.9 | A34 | A34-Y36 HydrophobicContact CB-CE1 4.4Å; A34-Y36 HydrophobicContact CB-CE2 4.25Å; A34-Y36 PolarHBondContact O-N 3.02Å |
| 37 | T | 94.3 | Very high | 84.2 | Confident | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.724 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -118.6 | 116 | 175.5 | 54.3 | 0 | 0 | 0 | 0 | 108.9 | T35 | T35-T37 VanDerWaalsContact CG2-O 3.31Å; T35-T37 WeakPolarHBondContact CG2-O 3.29Å |
| 38 | P | 95.2 | Very high | 84.9 | Confident | 105 Ų | 105 | 114.6 Ų | 114.6 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 156.8 | 175.5 | 30.2 | -34.3 | 0 | 0 | 0 | 110.5 | Q40 | P38-Q40 PolarHBondContact O-N 3.44Š|
| 39 | A | 92.2 | Very high | 85.6 | Confident | 106 Ų | 106 | 113.1 Ų | 113.1 | 88% | 0.876 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 133.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 40 | Q | 91.7 | Very high | 85.9 | Confident | 172 Ų | 172 | 113 Ų | 113 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 138.4 | 176.7 | -67.1 | -175.3 | -20.3 | 0 | 0 | 110.5 | P38 | P38-Q40 PolarHBondContact O-N 3.44Š|
| 41 | G | 91.3 | Very high | 85.5 | Confident | 61 Ų | 61 | 110 Ų | 110 | 63% | 0.629 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -71.3 | 158.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 42 | G | 87.5 | Confident | 84.8 | Confident | 31 Ų | 31 | 114.4 Ų | 114.4 | 32% | 0.32 | 64% | 0.635 | S | S | . | * | S | Bend | trans | 131.2 | -16.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E47 | G42-E47 VanDerWaalsContact CA-OE2 3.23Å; G42-E47 WeakPolarHBondContact CA-OE2 3.39Å; G42-E47 PolarHBondContact N-OE1 2.99Å; G42-E47 VanDerWaalsContact N-OE1 3.14Å; G42-E47 PolarHBondContact N-OE2 2.91Å |
| 43 | F | 82.1 | Confident | 84.1 | Confident | 197 Ų | 197 | 113.3 Ų | 113.3 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -116.8 | -0.3 | -173.9 | -57.9 | -74.9 | 0 | 0 | 0 | 114.3 | E47 | F43-E47 PolarHBondContact N-OE2 3.46Š|
| 44 | G | 80.8 | Confident | 84 | Confident | 34 Ų | 34 | 106.4 Ų | 106.4 | 35% | 0.351 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -92.2 | -174.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N46 E47 | G44-N46 PolarHBondContact O-N 3.31Å; G44-E47 WeakPolarHBondContact CA-OE2 3.29Å; G44-E47 PolarHBondContact N-OE2 3.02Å; G44-E47 PolarHBondContact O-N 3.49Å; G44-E47 VanDerWaalsContact O-N 3.15Å |
| 45 | K | 73 | Confident | 83.9 | Confident | 92 Ų | 92 | 112.8 Ų | 112.8 | 40% | 0.4 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | 128.9 | 174.7 | -171.1 | 171.7 | 175.7 | -173.7 | 0 | 110 | Q56 | K45-Q56 VanDerWaalsContact CE-O 3.3Å; K45-Q56 WeakPolarHBondContact CE-O 3.41Å; K45-Q56 PolarHBondContact NZ-O 2.94Å |
| 46 | N | 79.6 | Confident | 83.8 | Confident | 105 Ų | 105 | 113.7 Ų | 113.7 | 56% | 0.561 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.7 | 7.6 | -171.7 | -49.1 | -25.2 | 0 | 0 | 0 | 115.9 | G44 L50 | G44-N46 PolarHBondContact O-N 3.31Å; N46-L50 HydrophobicContact CB-CD2 4.25Å |
| 47 | E | 84.7 | Confident | 83.7 | Confident | 73 Ų | 73 | 112.1 Ų | 112.1 | 34% | 0.341 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -111.5 | 156.8 | 174.9 | -58.4 | 174.4 | 148.5 | 0 | 0 | 110.4 | G42 F43 G44 D49 L50 | G42-E47 VanDerWaalsContact CA-OE2 3.23Å; G42-E47 WeakPolarHBondContact CA-OE2 3.39Å; G42-E47 PolarHBondContact N-OE1 2.99Å; G42-E47 VanDerWaalsContact N-OE1 3.14Å; G42-E47 PolarHBondContact N-OE2 2.91Å; F43-E47 PolarHBondContact N-OE2 3.46Å; G44-E47 WeakPolarHBondContact CA-OE2 3.29Å; G44-E47 PolarHBondContact N-OE2 3.02Å; G44-E47 PolarHBondContact O-N 3.49Å; G44-E47 VanDerWaalsContact O-N 3.15Å; E47-D49 PolarHBondContact O-N 3.35Å; E47-L50 PolarHBondContact O-N 2.96Å; E47-L50 VanDerWaalsContact O-N 3.14Å |
| 48 | A | 78.2 | Confident | 83.6 | Confident | 110 Ų | 110 | 109.1 Ų | 109.1 | 91% | 0.909 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.1 | -58 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 49 | D | 80.2 | Confident | 83.7 | Confident | 99 Ų | 99 | 108.9 Ų | 108.9 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.7 | 22.4 | -174.8 | -164.2 | 12.3 | 0 | 0 | 0 | 111.8 | E47 S51 K52 | E47-D49 PolarHBondContact O-N 3.35Å; D49-S51 PolarHBondContact O-N 2.83Å; D49-K52 WeakPolarHBondContact O-CA 3.5Å; D49-K52 PolarHBondContact O-N 3.36Å; D49-K52 VanDerWaalsContact OD2-CG 3.23Å; D49-K52 WeakPolarHBondContact OD2-CG 3.39Å |
| 50 | L | 78.4 | Confident | 83.9 | Confident | 111 Ų | 111 | 114.6 Ų | 114.6 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | 46.4 | 35.9 | -173.7 | -64.4 | 173.5 | 0 | 0 | 0 | 112.6 | N46 E47 K52 | N46-L50 HydrophobicContact CB-CD2 4.25Å; E47-L50 PolarHBondContact O-N 2.96Å; E47-L50 VanDerWaalsContact O-N 3.14Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.96Å |
| 51 | S | 67.8 | Low | 84 | Confident | 59 Ų | 59 | 111.2 Ų | 111.2 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | 46 | 48.5 | -170.5 | 177.1 | 0 | 0 | 0 | 0 | 113.5 | D49 L53 S54 | D49-S51 PolarHBondContact O-N 2.83Å; S51-L53 VanDerWaalsContact C-N 3.31Å; S51-L53 PolarHBondContact O-N 3.42Å; S51-S54 PolarHBondContact O-N 2.85Å |
| 52 | K | 68.2 | Low | 84.1 | Confident | 169 Ų | 169 | 112.6 Ų | 112.6 | 74% | 0.735 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | 60.4 | 28.1 | 170.2 | -62.8 | 179 | -179.7 | -173.4 | 0 | 115.4 | D49 L50 | D49-K52 WeakPolarHBondContact O-CA 3.5Å; D49-K52 PolarHBondContact O-N 3.36Å; D49-K52 VanDerWaalsContact OD2-CG 3.23Å; D49-K52 WeakPolarHBondContact OD2-CG 3.39Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.96Å |
| 53 | L | 73.2 | Confident | 84.6 | Confident | 157 Ų | 157 | 116.8 Ų | 116.8 | 82% | 0.822 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | 71.8 | 42.4 | -177.3 | -58.6 | 125.6 | 0 | 0 | 0 | 115.3 | S51 K55 | S51-L53 VanDerWaalsContact C-N 3.31Å; S51-L53 PolarHBondContact O-N 3.42Å; L53-K55 PolarHBondContact O-N 3.2Å |
| 54 | S | 86.8 | Confident | 85.3 | Confident | 51 Ų | 51 | 111.5 Ų | 111.5 | 36% | 0.357 | 59% | 0.594 | S | S | . | * | trans | -51.9 | 132.3 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | S51 Q56 | S51-S54 PolarHBondContact O-N 2.85Å; S54-Q56 PolarHBondContact O-N 3.41Å; S54-Q56 PolarHBondContact OG-N 2.9Å | ||
| 55 | K | 88.9 | Confident | 86 | Confident | 196 Ų | 196 | 118.1 Ų | 118.1 | 85% | 0.852 | 62% | 0.616 | S | S | * | * | trans | -78.3 | -3 | 176.3 | -64.7 | -174.9 | 180 | -179 | 0 | 114 | L53 Y57 | L53-K55 PolarHBondContact O-N 3.2Å; K55-Y57 WeakPolarHBondContact O-CD1 3.48Å; K55-Y57 PolarHBondContact O-N 3.22Å | ||
| 56 | Q | 91.5 | Very high | 87.2 | Confident | 140 Ų | 140 | 119.8 Ų | 119.8 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | trans | -79.3 | 118.7 | -179.1 | -67 | 174.6 | -9 | 0 | 0 | 109.5 | K45 S54 | K45-Q56 VanDerWaalsContact CE-O 3.3Å; K45-Q56 WeakPolarHBondContact CE-O 3.41Å; K45-Q56 PolarHBondContact NZ-O 2.94Å; S54-Q56 PolarHBondContact O-N 3.41Å; S54-Q56 PolarHBondContact OG-N 2.9Å | ||
| 57 | Y | 91.9 | Very high | 88 | Confident | 169 Ų | 169 | 123.4 Ų | 123.4 | 66% | 0.663 | 65% | 0.645 | S | S | * | * | trans | -120.4 | 150.4 | 170 | 57.4 | -87.8 | 0 | 0 | 0 | 109.8 | K55 L62 | K55-Y57 WeakPolarHBondContact O-CD1 3.48Å; K55-Y57 PolarHBondContact O-N 3.22Å; Y57-L62 HydrophobicContact CD2-CD2 4.1Å; Y57-L62 HydrophobicContact CE2-CD2 3.82Å | ||
| 58 | S | 93.1 | Very high | 88.6 | Confident | 55 Ų | 55 | 126.2 Ų | 126.2 | 39% | 0.385 | 66% | 0.661 | S | S | . | * | trans | -83.7 | 161.2 | 172.5 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | R60 D61 | S58-R60 PolarHBondContact O-N 2.9Å; S58-D61 VanDerWaalsContact CB-OD2 3.29Å; S58-D61 WeakPolarHBondContact CB-OD2 3.37Å; S58-D61 PolarHBondContact N-OD2 3.25Å; S58-D61 PolarHBondContact O-N 3.37Å | ||
| 59 | S | 96.6 | Very high | 89.5 | Confident | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -59 | -26.3 | 168.3 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | D61 | S59-D61 VanDerWaalsContact C-N 3.35Š|
| 60 | R | 95.8 | Very high | 90.2 | Very high | 227 Ų | 227 | 134.4 Ų | 134.4 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -76.3 | -18 | 175.8 | -67.1 | -178.8 | 175 | 146.6 | -0.8 | 114.2 | S58 L62 | S58-R60 PolarHBondContact O-N 2.9Å; R60-L62 VanDerWaalsContact C-N 3.34Å |
| 61 | D | 93.9 | Very high | 91 | Very high | 100 Ų | 100 | 137.2 Ų | 137.2 | 54% | 0.535 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -89.6 | -4.6 | 179.6 | -55.6 | -36.1 | 0 | 0 | 0 | 112.1 | S58 S59 | S58-D61 VanDerWaalsContact CB-OD2 3.29Å; S58-D61 WeakPolarHBondContact CB-OD2 3.37Å; S58-D61 PolarHBondContact N-OD2 3.25Å; S58-D61 PolarHBondContact O-N 3.37Å; S59-D61 VanDerWaalsContact C-N 3.35Å |
| 62 | L | 94.6 | Very high | 92.3 | Very high | 91 Ų | 91 | 140 Ų | 140 | 48% | 0.476 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -62.9 | 147.4 | 174.3 | -69.7 | 171.8 | 0 | 0 | 0 | 110.2 | Y57 R60 S64 | Y57-L62 HydrophobicContact CD2-CD2 4.1Å; Y57-L62 HydrophobicContact CE2-CD2 3.82Å; R60-L62 VanDerWaalsContact C-N 3.34Å; L62-S64 PolarHBondContact O-N 2.97Å |
| 63 | P | 96.7 | Very high | 93.5 | Very high | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -54.7 | 112.8 | -177.2 | -27 | 35.1 | 0 | 0 | 0 | 112.4 | T66 | P63-T66 HydrophobicContact CB-CG2 3.99Š|
| 64 | S | 96.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 67% | 0.668 | S | S | * | * | trans | -141 | 144.8 | 175 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | L62 T66 | L62-S64 PolarHBondContact O-N 2.97Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 2.83Å | ||
| 65 | H | 97 | Very high | 94.9 | Very high | 173 Ų | 173 | 136 Ų | 136 | 80% | 0.801 | 68% | 0.676 | S | S | * | * | trans | 51 | 45.2 | -176.3 | -59.6 | -69 | 0 | 0 | 0 | 114.1 | K67 | H65-K67 PolarHBondContact O-N 2.75Š| ||
| 66 | T | 97.2 | Very high | 95.1 | Very high | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | trans | -67.5 | -5.1 | -178.6 | 58 | 0 | 0 | 0 | 0 | 114.5 | P63 S64 | P63-T66 HydrophobicContact CB-CG2 3.99Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 2.83Å | ||
| 67 | K | 97.3 | Very high | 95.1 | Very high | 181 Ų | 181 | 122.4 Ų | 122.4 | 79% | 0.787 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -121 | 113.5 | 177.8 | -172.8 | 173.3 | -177.4 | 174.3 | 0 | 110.1 | H65 | H65-K67 PolarHBondContact O-N 2.75Š|
| 68 | L | 96.6 | Very high | 95.2 | Very high | 131 Ų | 131 | 118.1 Ų | 118.1 | 69% | 0.686 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137.2 | 172.2 | -64.9 | 175.9 | 0 | 0 | 0 | 110.2 | ||
| 69 | K | 96.5 | Very high | 95.1 | Very high | 205 Ų | 205 | 122.8 Ų | 122.8 | 89% | 0.891 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 125.9 | 174.5 | -64.9 | 179.8 | 179 | 179.6 | 0 | 109 | ||
| 70 | Y | 95.6 | Very high | 94.9 | Very high | 176 Ų | 176 | 120 Ų | 120 | 69% | 0.69 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 144.2 | 171.2 | -61.2 | -81.7 | 0 | 0 | 0 | 110.1 | Q72 | Y70-Q72 PolarHBondContact O-N 3.05Å; Y70-Q72 PolarHBondContact O-NE2 2.59Å; Y70-Q72 VanDerWaalsContact O-NE2 3.14Å |
| 71 | R | 95.9 | Very high | 94.8 | Very high | 170 Ų | 170 | 112.3 Ų | 112.3 | 64% | 0.642 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125 | 174.1 | -65.7 | 180 | 179.4 | -87.2 | -1.5 | 108.7 | Q75 A76 | R71-Q75 HydrophobicContact CB-CB 4.48Å; R71-Q75 PolarHBondContact NH1-O 3.1Å; R71-A76 WeakPolarHBondContact CD-O 3.4Å |
| 72 | Q | 94.1 | Very high | 94.8 | Very high | 117 Ų | 117 | 116.7 Ų | 116.7 | 55% | 0.547 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 167.7 | 173.3 | -58.3 | -57.3 | -61.2 | 0 | 0 | 110.2 | Y70 G74 Q75 | Y70-Q72 PolarHBondContact O-N 3.05Å; Y70-Q72 PolarHBondContact O-NE2 2.59Å; Y70-Q72 VanDerWaalsContact O-NE2 3.14Å; Q72-G74 PolarHBondContact O-N 3.16Å; Q72-Q75 WeakPolarHBondContact O-CB 3.47Å; Q72-Q75 PolarHBondContact O-N 3.03Å; Q72-Q75 VanDerWaalsContact O-N 3.07Å |
| 73 | T | 94.5 | Very high | 94.6 | Very high | 113 Ų | 113 | 117.1 Ų | 117.1 | 69% | 0.693 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 137.3 | 164.3 | 52 | 0 | 0 | 0 | 0 | 109.3 | E80 | T73-E80 WeakPolarHBondContact CA-OE1 3.38Š|
| 74 | G | 93.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 115.7 Ų | 115.7 | 66% | 0.66 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.5 | -12.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q72 E80 | Q72-G74 PolarHBondContact O-N 3.16Å; G74-E80 PolarHBondContact N-OE1 3.1Å |
| 75 | Q | 94.6 | Very high | 94.3 | Very high | 116 Ų | 116 | 116.2 Ų | 116.2 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -105.9 | 31.5 | -178.6 | -60.9 | -175.8 | -2.1 | 0 | 0 | 113.6 | R71 Q72 | R71-Q75 HydrophobicContact CB-CB 4.48Å; R71-Q75 PolarHBondContact NH1-O 3.1Å; Q72-Q75 WeakPolarHBondContact O-CB 3.47Å; Q72-Q75 PolarHBondContact O-N 3.03Å; Q72-Q75 VanDerWaalsContact O-N 3.07Å |
| 76 | A | 92.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 113.1 Ų | 113.1 | 25% | 0.248 | 58% | 0.575 | C | S | . | * | trans | 60.1 | 54 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R71 L81 | R71-A76 WeakPolarHBondContact CD-O 3.4Å; A76-L81 HydrophobicContact CB-CD1 4.15Å; A76-L81 HydrophobicContact CB-CD2 3.95Å; A76-L81 HydrophobicContact CB-CG 4.13Å | ||
| 77 | S | 93.2 | Very high | 94.2 | Very high | 21 Ų | 21 | 113.8 Ų | 113.8 | 15% | 0.147 | 57% | 0.573 | C | S | . | * | trans | -57.2 | 148.9 | 166.2 | -179.4 | 0 | 0 | 0 | 0 | 110 | E79 E80 L81 | S77-E79 PolarHBondContact O-N 3.29Å; S77-E80 PolarHBondContact O-N 2.81Å; S77-E80 VanDerWaalsContact O-N 3.08Å; S77-L81 PolarHBondContact O-N 2.75Å; S77-L81 VanDerWaalsContact O-N 3.07Å | ||
| 78 | A | 93.4 | Very high | 94.2 | Very high | 79 Ų | 79 | 112 Ų | 112 | 65% | 0.653 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.3 | -33.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L81 K82 | A78-L81 PolarHBondContact O-N 3.3Å; A78-K82 PolarHBondContact O-N 2.87Å |
| 79 | E | 91.1 | Very high | 94.2 | Very high | 154 Ų | 154 | 109.8 Ų | 109.8 | 72% | 0.72 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 177.6 | -65 | 173.1 | -177.1 | 0 | 0 | 112.2 | S77 K82 | S77-E79 PolarHBondContact O-N 3.29Å; E79-K82 PolarHBondContact O-N 3.31Å |
| 80 | E | 92.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 105.2 Ų | 105.2 | 19% | 0.192 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -70 | -37.4 | 176.6 | -64.8 | 176.8 | -173.4 | 0 | 0 | 112.2 | T73 G74 S77 K82 S83 R84 | T73-E80 WeakPolarHBondContact CA-OE1 3.38Å; G74-E80 PolarHBondContact N-OE1 3.1Å; S77-E80 PolarHBondContact O-N 2.81Å; S77-E80 VanDerWaalsContact O-N 3.08Å; E80-K82 PolarHBondContact O-N 3.34Å; E80-S83 PolarHBondContact O-N 3.27Å; E80-S83 PolarHBondContact O-OG 3.04Å; E80-S83 VanDerWaalsContact O-OG 3.14Å; E80-R84 WeakPolarHBondContact O-CG 3.45Å; E80-R84 PolarHBondContact O-N 2.94Å; E80-R84 IonicContact OE2-CZ 3.01Å; E80-R84 IonicContact OE2-NH1 2.95Å; E80-R84 IonicContact OE2-NH2 3.59Å; E80-R84 PolarHBondContact OE2-NH2 3.41Å |
| 81 | L | 93.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 101.7 Ų | 101.7 | 34% | 0.335 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -28.5 | 178.5 | -68.9 | 174.3 | 0 | 0 | 0 | 111.9 | A76 S77 A78 S83 F86 | A76-L81 HydrophobicContact CB-CD1 4.15Å; A76-L81 HydrophobicContact CB-CD2 3.95Å; A76-L81 HydrophobicContact CB-CG 4.13Å; S77-L81 PolarHBondContact O-N 2.75Å; S77-L81 VanDerWaalsContact O-N 3.07Å; A78-L81 PolarHBondContact O-N 3.3Å; L81-S83 VanDerWaalsContact C-N 3.33Å; L81-F86 HydrophobicContact CB-CZ 4.15Å; L81-F86 HydrophobicContact CD2-CE1 3.83Å; L81-F86 HydrophobicContact CD2-CZ 3.59Å; L81-F86 HydrophobicContact CG-CZ 4.48Å; L81-F86 WeakPolarHBondContact O-CE2 3.24Å; L81-F86 WeakPolarHBondContact O-CZ 3.3Å |
| 82 | K | 93.1 | Very high | 94.3 | Very high | 192 Ų | 192 | 95.5 Ų | 95.5 | 84% | 0.835 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.8 | -27.6 | 179.2 | -166.4 | 172.7 | -177.3 | -179.7 | 0 | 113 | A78 E79 E80 | A78-K82 PolarHBondContact O-N 2.87Å; E79-K82 PolarHBondContact O-N 3.31Å; E80-K82 PolarHBondContact O-N 3.34Å |
| 83 | S | 91.4 | Very high | 94.5 | Very high | 101 Ų | 101 | 98.5 Ų | 98.5 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -94.8 | -12.6 | -179.4 | 59 | 0 | 0 | 0 | 0 | 114.4 | E80 L81 | E80-S83 PolarHBondContact O-N 3.27Å; E80-S83 PolarHBondContact O-OG 3.04Å; E80-S83 VanDerWaalsContact O-OG 3.14Å; L81-S83 VanDerWaalsContact C-N 3.33Å |
| 84 | R | 92.6 | Very high | 94.6 | Very high | 87 Ų | 87 | 99.1 Ų | 99.1 | 33% | 0.328 | 50% | 0.504 | S | S | . | . | trans | -79 | 140.9 | -179.6 | -77.5 | -179.8 | -173.4 | 125.6 | 9 | 112.6 | E80 F86 | E80-R84 WeakPolarHBondContact O-CG 3.45Å; E80-R84 PolarHBondContact O-N 2.94Å; E80-R84 IonicContact OE2-CZ 3.01Å; E80-R84 IonicContact OE2-NH1 2.95Å; E80-R84 IonicContact OE2-NH2 3.59Å; E80-R84 PolarHBondContact OE2-NH2 3.41Å; R84-F86 HydrophobicContact CB-CE1 4.13Å; R84-F86 HydrophobicContact CB-CZ 4.11Å | ||
| 85 | D | 95.4 | Very high | 94.6 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | trans | -95 | 96.5 | 167.5 | -177 | 3.1 | 0 | 0 | 0 | 110.3 | L87 E89 | D85-L87 VanDerWaalsContact C-N 3.29Å; D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 PolarHBondContact OD1-N 3.02Å; D85-E89 PolarHBondContact O-N 3.01Å | ||
| 86 | F | 96.3 | Very high | 94.7 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -25.9 | -176.9 | -61.1 | -69.5 | 0 | 0 | 0 | 113.7 | L81 R84 L90 | L81-F86 HydrophobicContact CB-CZ 4.15Å; L81-F86 HydrophobicContact CD2-CE1 3.83Å; L81-F86 HydrophobicContact CD2-CZ 3.59Å; L81-F86 HydrophobicContact CG-CZ 4.48Å; L81-F86 WeakPolarHBondContact O-CE2 3.24Å; L81-F86 WeakPolarHBondContact O-CZ 3.3Å; R84-F86 HydrophobicContact CB-CE1 4.13Å; R84-F86 HydrophobicContact CB-CZ 4.11Å; F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 3.33Å |
| 87 | L | 95.8 | Very high | 94.8 | Very high | 142 Ų | 142 | 103.6 Ų | 103.6 | 74% | 0.743 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.4 | -48.4 | -179.3 | -68.8 | 176.6 | 0 | 0 | 0 | 110 | D85 L90 E91 | D85-L87 VanDerWaalsContact C-N 3.29Å; D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 PolarHBondContact OD1-N 3.02Å; L87-L90 PolarHBondContact O-N 3.14Å; L87-E91 WeakPolarHBondContact O-CB 3.45Å; L87-E91 PolarHBondContact O-N 2.61Å |
| 88 | Y | 96.4 | Very high | 94.8 | Very high | 144 Ų | 144 | 104.7 Ų | 104.7 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 176.6 | 179.6 | -106.3 | 0 | 0 | 0 | 112.4 | N92 | Y88-N92 WeakPolarHBondContact CE1-ND2 3.34Å; Y88-N92 VanDerWaalsContact CE2-ND2 3.33Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.13Å; Y88-N92 WeakPolarHBondContact O-CB 3.17Å; Y88-N92 PolarHBondContact O-N 3.37Å; Y88-N92 VanDerWaalsContact O-N 3.09Å; Y88-N92 PolarHBondContact O-ND2 3Å; Y88-N92 PolarHBondContact OH-ND2 3.16Å |
| 89 | E | 96.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 102.5 Ų | 102.5 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 177.2 | -73.4 | -176.2 | -171.6 | 0 | 0 | 112.4 | D85 R93 | D85-E89 PolarHBondContact O-N 3.01Å; E89-R93 WeakPolarHBondContact O-CB 3.3Å; E89-R93 WeakPolarHBondContact O-CG 3.21Å; E89-R93 PolarHBondContact O-N 3.5Å |
| 90 | L | 97 | Very high | 94.7 | Very high | 108 Ų | 108 | 101.1 Ų | 101.1 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.4 | -48.2 | 178.5 | -172 | 161.4 | 0 | 0 | 0 | 110.8 | F86 L87 N92 R93 E94 | F86-L90 WeakPolarHBondContact O-CB 3.49Å; F86-L90 PolarHBondContact O-N 3.33Å; L87-L90 PolarHBondContact O-N 3.14Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 3.13Å; L90-R93 PolarHBondContact O-N 3Å; L90-E94 WeakPolarHBondContact O-CB 3.26Å; L90-E94 PolarHBondContact O-N 3.4Å |
| 91 | E | 97.2 | Very high | 94.5 | Very high | 102 Ų | 102 | 108.3 Ų | 108.3 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | -179.9 | -165.9 | -163.5 | 159.3 | 0 | 0 | 111.4 | L87 R93 E94 R95 | L87-E91 WeakPolarHBondContact O-CB 3.45Å; L87-E91 PolarHBondContact O-N 2.61Å; E91-R93 PolarHBondContact O-N 3.01Å; E91-E94 PolarHBondContact O-N 3.05Å; E91-R95 WeakPolarHBondContact O-CB 3.5Å; E91-R95 PolarHBondContact O-N 3.12Å; E91-R95 IonicContact OE1-NH2 2.82Å; E91-R95 PolarHBondContact OE1-NH2 2.96Å |
| 92 | N | 96.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 114.6 Ų | 114.6 | 21% | 0.214 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.7 | -77.6 | -34.1 | 0 | 0 | 0 | 112.2 | Y88 L90 E94 R95 E96 | Y88-N92 WeakPolarHBondContact CE1-ND2 3.34Å; Y88-N92 VanDerWaalsContact CE2-ND2 3.33Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.13Å; Y88-N92 WeakPolarHBondContact O-CB 3.17Å; Y88-N92 PolarHBondContact O-N 3.37Å; Y88-N92 VanDerWaalsContact O-N 3.09Å; Y88-N92 PolarHBondContact O-ND2 3Å; Y88-N92 PolarHBondContact OH-ND2 3.16Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 3.13Å; N92-E94 VanDerWaalsContact C-N 3.35Å; N92-R95 PolarHBondContact O-N 3.09Å; N92-E96 PolarHBondContact O-N 3.17Å |
| 93 | R | 97.2 | Very high | 93.5 | Very high | 181 Ų | 181 | 109.6 Ų | 109.6 | 68% | 0.683 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.2 | -36.7 | 176.7 | -73.2 | -174 | 70.5 | 81.3 | 2.2 | 112.4 | E89 L90 E91 E96 A97 | E89-R93 WeakPolarHBondContact O-CB 3.3Å; E89-R93 WeakPolarHBondContact O-CG 3.21Å; E89-R93 PolarHBondContact O-N 3.5Å; L90-R93 PolarHBondContact O-N 3Å; E91-R93 PolarHBondContact O-N 3.01Å; R93-E96 PolarHBondContact O-N 3.22Å; R93-A97 VanDerWaalsContact O-CB 3.28Å; R93-A97 WeakPolarHBondContact O-CB 3.4Å; R93-A97 PolarHBondContact O-N 2.83Å |
| 94 | E | 96 | Very high | 92.7 | Very high | 126 Ų | 126 | 108.5 Ų | 108.5 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -42.4 | 174.9 | -175.5 | 167.6 | -166.6 | 0 | 0 | 111.1 | L90 E91 N92 E96 A97 A98 | L90-E94 WeakPolarHBondContact O-CB 3.26Å; L90-E94 PolarHBondContact O-N 3.4Å; E91-E94 PolarHBondContact O-N 3.05Å; N92-E94 VanDerWaalsContact C-N 3.35Å; E94-E96 PolarHBondContact O-N 3.05Å; E94-A97 PolarHBondContact O-N 3.21Å; E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.41Å; E94-A98 PolarHBondContact O-N 3.12Å |
| 95 | R | 95.4 | Very high | 91.5 | Very high | 152 Ų | 152 | 107.8 Ų | 107.8 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.1 | -45.7 | 174.7 | -169.5 | -178.7 | -62.8 | 161.8 | 3.2 | 111.8 | E91 N92 A98 G99 | E91-R95 WeakPolarHBondContact O-CB 3.5Å; E91-R95 PolarHBondContact O-N 3.12Å; E91-R95 IonicContact OE1-NH2 2.82Å; E91-R95 PolarHBondContact OE1-NH2 2.96Å; N92-R95 PolarHBondContact O-N 3.09Å; R95-A98 PolarHBondContact O-N 3.41Å; R95-G99 PolarHBondContact O-N 3.44Å |
| 96 | E | 95.3 | Very high | 89.8 | Confident | 105 Ų | 105 | 113 Ų | 113 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.8 | -75.8 | -174.5 | -157.2 | 0 | 0 | 112.8 | N92 R93 E94 A98 G99 K100 | N92-E96 PolarHBondContact O-N 3.17Å; R93-E96 PolarHBondContact O-N 3.22Å; E94-E96 PolarHBondContact O-N 3.05Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-G99 PolarHBondContact O-N 3.48Å; E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 2.84Å; E96-K100 IonicContact OE2-NZ 2.72Å; E96-K100 PolarHBondContact OE2-NZ 3.47Å |
| 97 | A | 94.7 | Very high | 87.9 | Confident | 46 Ų | 46 | 112.3 Ų | 112.3 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | R93 E94 K100 R101 | R93-A97 VanDerWaalsContact O-CB 3.28Å; R93-A97 WeakPolarHBondContact O-CB 3.4Å; R93-A97 PolarHBondContact O-N 2.83Å; E94-A97 PolarHBondContact O-N 3.21Å; A97-K100 PolarHBondContact O-N 2.84Å; A97-R101 WeakPolarHBondContact O-CB 3.23Å; A97-R101 VanDerWaalsContact O-CG 3.27Å; A97-R101 WeakPolarHBondContact O-CG 3.25Å; A97-R101 PolarHBondContact O-N 3.32Å |
| 98 | A | 93.3 | Very high | 85.9 | Confident | 44 Ų | 44 | 110.6 Ų | 110.6 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | E94 R95 E96 R101 R102 | E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.41Å; E94-A98 PolarHBondContact O-N 3.12Å; R95-A98 PolarHBondContact O-N 3.41Å; E96-A98 VanDerWaalsContact C-N 3.34Å; A98-R101 PolarHBondContact O-N 3.41Å; A98-R102 WeakPolarHBondContact O-CB 3.49Å; A98-R102 VanDerWaalsContact O-CG 3.26Å; A98-R102 WeakPolarHBondContact O-CG 3.3Å; A98-R102 PolarHBondContact O-N 3.02Å |
| 99 | G | 91.3 | Very high | 83.5 | Confident | 34 Ų | 34 | 107.4 Ų | 107.4 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R95 E96 R101 R102 T103 | R95-G99 PolarHBondContact O-N 3.44Å; E96-G99 PolarHBondContact O-N 3.48Å; G99-R101 PolarHBondContact O-N 3.02Å; G99-R102 PolarHBondContact O-N 2.63Å; G99-T103 PolarHBondContact O-N 2.72Å; G99-T103 PolarHBondContact O-OG1 2.99Å |
| 100 | K | 91.7 | Very high | 81 | Confident | 125 Ų | 125 | 108.6 Ų | 108.6 | 54% | 0.543 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 177.2 | -70.2 | 161.5 | -173.2 | 159.1 | 0 | 112.5 | E96 A97 T103 S104 | E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 2.84Å; E96-K100 IonicContact OE2-NZ 2.72Å; E96-K100 PolarHBondContact OE2-NZ 3.47Å; A97-K100 PolarHBondContact O-N 2.84Å; K100-T103 WeakPolarHBondContact CA-OG1 3.42Å; K100-T103 PolarHBondContact O-OG1 2.91Å; K100-S104 WeakPolarHBondContact O-CB 3.4Å; K100-S104 PolarHBondContact O-N 3.22Å; K100-S104 PolarHBondContact O-OG 3.03Å |
| 101 | R | 88.5 | Confident | 78.9 | Confident | 192 Ų | 192 | 110.4 Ų | 110.4 | 73% | 0.725 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66 | -37.6 | 173.9 | -74.6 | 175.8 | 71.1 | -173.9 | 2.6 | 111.9 | A97 A98 G99 S104 A105 | A97-R101 WeakPolarHBondContact O-CB 3.23Å; A97-R101 VanDerWaalsContact O-CG 3.27Å; A97-R101 WeakPolarHBondContact O-CG 3.25Å; A97-R101 PolarHBondContact O-N 3.32Å; A98-R101 PolarHBondContact O-N 3.41Å; G99-R101 PolarHBondContact O-N 3.02Å; R101-S104 PolarHBondContact O-OG 2.95Å; R101-A105 WeakPolarHBondContact O-CB 3.17Å; R101-A105 PolarHBondContact O-N 3.44Å |
| 102 | R | 83.7 | Confident | 76.7 | Confident | 196 Ų | 196 | 110 Ų | 110 | 74% | 0.74 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.3 | -41.7 | 177.3 | -72.3 | 173.1 | 71.7 | 163.4 | 4 | 111.7 | A98 G99 R106 | A98-R102 WeakPolarHBondContact O-CB 3.49Å; A98-R102 VanDerWaalsContact O-CG 3.26Å; A98-R102 WeakPolarHBondContact O-CG 3.3Å; A98-R102 PolarHBondContact O-N 3.02Å; G99-R102 PolarHBondContact O-N 2.63Å; R102-R106 WeakPolarHBondContact O-CB 3.39Å; R102-R106 PolarHBondContact O-N 3.38Å |
| 103 | T | 80.6 | Confident | 74.7 | Confident | 86 Ų | 86 | 113.4 Ų | 113.4 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.7 | -46.6 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | G99 K100 A105 R106 M107 | G99-T103 PolarHBondContact O-N 2.72Å; G99-T103 PolarHBondContact O-OG1 2.99Å; K100-T103 WeakPolarHBondContact CA-OG1 3.42Å; K100-T103 PolarHBondContact O-OG1 2.91Å; T103-A105 PolarHBondContact O-N 3.29Å; T103-R106 PolarHBondContact O-N 3.01Å; T103-M107 WeakPolarHBondContact O-CB 3.48Å; T103-M107 WeakPolarHBondContact O-CG 3.37Å; T103-M107 PolarHBondContact O-N 3.39Å |
| 104 | S | 76 | Confident | 72.4 | Confident | 78 Ų | 78 | 112.3 Ų | 112.3 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -35.5 | 178.3 | 72.1 | 0 | 0 | 0 | 0 | 113.4 | K100 R101 M107 P108 | K100-S104 WeakPolarHBondContact O-CB 3.4Å; K100-S104 PolarHBondContact O-N 3.22Å; K100-S104 PolarHBondContact O-OG 3.03Å; R101-S104 PolarHBondContact O-OG 2.95Å; S104-M107 PolarHBondContact O-N 2.94Å; S104-P108 WeakPolarHBondContact O-CD 3.47Å |
| 105 | A | 67 | Low | 69.9 | Low | 73 Ų | 73 | 112.9 Ų | 112.9 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.2 | -25.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R101 T103 P108 | R101-A105 WeakPolarHBondContact O-CB 3.17Å; R101-A105 PolarHBondContact O-N 3.44Å; T103-A105 PolarHBondContact O-N 3.29Å; A105-P108 VanDerWaalsContact C-CD 3.4Å; A105-P108 WeakPolarHBondContact O-CD 3.44Å; A105-P108 WeakPolarHBondContact O-CG 3.16Å |
| 106 | R | 58.5 | Low | 67.7 | Low | 207 Ų | 207 | 112.8 Ų | 112.8 | 78% | 0.781 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -88.5 | -17 | 174.4 | -160 | 172 | 168.7 | 121.3 | -3 | 112.6 | R102 T103 | R102-R106 WeakPolarHBondContact O-CB 3.39Å; R102-R106 PolarHBondContact O-N 3.38Å; T103-R106 PolarHBondContact O-N 3.01Å |
| 107 | M | 57.2 | Low | 65.4 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 46% | 0.458 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | 15.1 | 179.8 | -64.8 | -69.3 | -91.2 | 0 | 0 | 117.5 | T103 S104 C109 L110 | T103-M107 WeakPolarHBondContact O-CB 3.48Å; T103-M107 WeakPolarHBondContact O-CG 3.37Å; T103-M107 PolarHBondContact O-N 3.39Å; S104-M107 PolarHBondContact O-N 2.94Å; M107-C109 PolarHBondContact O-N 3.49Å; M107-L110 HydrophobicContact SD-CB 3.9Å; M107-L110 HydrophobicContact SD-CD1 3.83Å |
| 108 | P | 53.1 | Low | 63.1 | Low | 106 Ų | 106 | 120.3 Ų | 120.3 | 69% | 0.688 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 1.3 | 162.7 | 30.8 | -23.1 | 0 | 0 | 0 | 112.3 | S104 A105 | S104-P108 WeakPolarHBondContact O-CD 3.47Å; A105-P108 VanDerWaalsContact C-CD 3.4Å; A105-P108 WeakPolarHBondContact O-CD 3.44Å; A105-P108 WeakPolarHBondContact O-CG 3.16Å |
| 109 | C | 46.5 | Very low | 60.8 | Low | 76 Ų | 76 | 123.1 Ų | 123.1 | 51% | 0.514 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -114.3 | -32.1 | -176.7 | -169.5 | 0 | 0 | 0 | 0 | 114.2 | M107 I111 | M107-C109 PolarHBondContact O-N 3.49Å; C109-I111 PolarHBondContact O-N 3.32Å |
| 110 | L | 44.3 | Very low | 58.6 | Low | 111 Ų | 111 | 129.1 Ų | 129.1 | 58% | 0.581 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -17.2 | -171.8 | -96.8 | 166.5 | 0 | 0 | 0 | 115.4 | M107 A112 | M107-L110 HydrophobicContact SD-CB 3.9Å; M107-L110 HydrophobicContact SD-CD1 3.83Å; L110-A112 VanDerWaalsContact C-N 3.33Å |
| 111 | I | 52.1 | Low | 56.1 | Low | 146 Ų | 146 | 129.5 Ų | 129.5 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -18.3 | -179.9 | -54.9 | 173 | 0 | 0 | 0 | 111.6 | C109 | C109-I111 PolarHBondContact O-N 3.32Š|
| 112 | A | 51.6 | Low | 54 | Low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L110 | L110-A112 VanDerWaalsContact C-N 3.33Š|
| 113 | L | 55 | Low | 52 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 59% | 0.592 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -14.7 | -171.3 | -91.6 | 145 | 0 | 0 | 0 | 115.3 | ||
| 114 | F | 47.8 | Very low | 50 | Low | 157 Ų | 157 | 127 Ų | 127 | 69% | 0.689 | 72% | 0.718 | S | S | * | * | trans | -155 | 110.5 | 174.4 | -86.4 | -89.3 | 0 | 0 | 0 | 112.1 | L116 | F114-L116 PolarHBondContact O-N 3.21Å; F114-L116 VanDerWaalsContact O-N 3.16Å | ||
| 115 | P | 44.6 | Very low | 48.7 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 90% | 0.896 | 73% | 0.726 | S | S | * | * | trans | -84 | 67.9 | 160.3 | 34.6 | -31.1 | 0 | 0 | 0 | 108.7 | K117 | P115-K117 PolarHBondContact O-N 2.94Š| ||
| 116 | L | 49.5 | Very low | 47.9 | Very low | 150 Ų | 150 | 130 Ų | 130 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -93.6 | 102.3 | 177.1 | -157.8 | 64.6 | 0 | 0 | 0 | 111.2 | F114 | F114-L116 PolarHBondContact O-N 3.21Å; F114-L116 VanDerWaalsContact O-N 3.16Å | ||
| 117 | K | 46.8 | Very low | 47 | Very low | 183 Ų | 183 | 126.2 Ų | 126.2 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -57.5 | 148.1 | 164.3 | -143.8 | 162 | -176.2 | 169 | 0 | 109.6 | P115 | P115-K117 PolarHBondContact O-N 2.94Š| ||
| 118 | V | 45.2 | Very low | 46.6 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 100.2 | 102 | 155.3 | -169.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 119 | S | 46.3 | Very low | 46.3 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | 52.1 | 107.5 | 129.2 | -46.7 | 0 | 0 | 0 | 0 | 121.2 | T121 | S119-T121 PolarHBondContact O-N 2.9Š| |||
| 120 | I | 44.1 | Very low | 46.5 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | trans | -5.4 | 113.4 | 131.4 | -56.4 | 168.5 | 0 | 0 | 0 | 113.8 | ||||
| 121 | T | 40.6 | Very low | 46.6 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | 179 | 129.9 | 115.5 | 38 | 0 | 0 | 0 | 0 | 111.3 | S119 | S119-T121 PolarHBondContact O-N 2.9Š| |||
| 122 | L | 42.8 | Very low | 46.3 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -47.3 | 129.9 | 162.6 | -106.6 | 56.5 | 0 | 0 | 0 | 112.4 | ||||
| 123 | A | 42.7 | Very low | 46.1 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 164.3 | 112.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 124 | D | 38.2 | Very low | 46 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | 69.5 | 120.6 | 132.1 | -144.2 | 0.2 | 0 | 0 | 0 | 122.6 | ||||
| 125 | S | 49.2 | Very low | 46.1 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | 94.5 | 142.7 | 147.9 | -67.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 126 | P | 50.6 | Low | 46.1 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -106.2 | 171 | -145.2 | 39.7 | -30 | 0 | 0 | 0 | 115.7 | ||||
| 127 | P | 39 | Very low | 46.1 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 133 | -159.4 | 34.9 | -30.8 | 0 | 0 | 0 | 114 | ||
| 128 | L | 48.6 | Very low | 45.4 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -99 | 145.2 | 165.2 | -96.7 | 91.4 | 0 | 0 | 0 | 113.2 | ||
| 129 | T | 47.5 | Very low | 44.9 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 156.2 | -174.5 | 52.3 | 0 | 0 | 0 | 0 | 117.2 | ||
| 130 | K | 49.6 | Very low | 44.3 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | 79.2 | 103 | 147.4 | -74.4 | 165.6 | -173.5 | 175.5 | 0 | 118.8 | ||||
| 131 | K | 47 | Very low | 44.1 | Very low | 222 Ų | 222 | 137.9 Ų | 137.9 | 97% | 0.965 | 82% | 0.815 | S | S | * | * | trans | -69.7 | 123.6 | 154 | -73 | 176.1 | 174.4 | 176 | 0 | 109.9 | ||||
| 132 | K | 46 | Very low | 44 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -129.2 | 116.3 | 161.7 | -147 | -179.8 | -172.7 | -173.2 | 0 | 105.8 | ||||
| 133 | S | 46.1 | Very low | 44.1 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -110.5 | 112.9 | 173.9 | 164.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 134 | L | 52.8 | Low | 44.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | -121.5 | 124.8 | 163.7 | -82.9 | 170.5 | 0 | 0 | 0 | 105.3 | ||||
| 135 | N | 50.3 | Low | 44.3 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -84.9 | 140.9 | 177.8 | -162.7 | 22.8 | 0 | 0 | 0 | 109.1 | ||||
| 136 | E | 46.2 | Very low | 44.2 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -112.7 | 127.5 | -168 | -179.1 | 179.9 | -171.9 | 0 | 0 | 107.6 | ||||
| 137 | S | 47.9 | Very low | 43.9 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -168.5 | 80.7 | 154.5 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 138 | A | 33.2 | Very low | 44.2 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -96.4 | 131.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 139 | A | 34.1 | Very low | 44.4 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 159.9 | 127.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 140 | A | 33.4 | Very low | 44.5 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 82.3 | 124.7 | 130.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 141 | A | 40 | Very low | 44.3 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 125 | 94.7 | 148 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 142 | A | 39.5 | Very low | 43.9 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 44.2 | 104.3 | 63.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 143 | I | 44.3 | Very low | 43.6 | Very low | 178 Ų | 178 | 125.1 Ų | 125.1 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | -178.4 | 133.9 | 152.8 | -86.2 | 141 | 0 | 0 | 0 | 109.2 | ||||
| 144 | G | 45.3 | Very low | 43.8 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 101.7 | 74.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 145 | D | 40.4 | Very low | 43.4 | Very low | 168 Ų | 168 | 129 Ų | 129 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | 70.6 | 133.1 | 60.6 | -156.3 | 22.9 | 0 | 0 | 0 | 113.4 | |||||
| 146 | A | 45.9 | Very low | 43.2 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -88.3 | 149.6 | -160.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 147 | D | 44.1 | Very low | 43 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 173.1 | 146.7 | 156.9 | -117.1 | -8.6 | 0 | 0 | 0 | 108.4 | ||||
| 148 | E | 46.2 | Very low | 42.7 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | cis | -166.4 | 152.2 | -1.6 | -156.5 | 169.4 | 171.1 | 0 | 0 | 106.2 | ||||
| 149 | S | 53.1 | Low | 43.4 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -50.5 | 178.9 | 164.1 | -130.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 150 | P | 48.9 | Very low | 43.9 | Very low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | cis | -143.5 | -170.8 | 32.9 | 38.3 | -12.5 | 0 | 0 | 0 | 112.4 | ||||
| 151 | E | 44.8 | Very low | 44.5 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 60% | 0.603 | 75% | 0.749 | S | S | * | * | cis | 177.1 | 137.7 | 40.4 | -144.8 | 177.7 | 176 | 0 | 0 | 107.2 | ||||
| 152 | R | 38.4 | Very low | 44.6 | Very low | 208 Ų | 208 | 137.9 Ų | 137.9 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | 62.5 | 140.6 | 128.4 | -82.8 | -163.9 | -113.4 | -127 | 4.1 | 120.8 | |||||
| 153 | T | 41.1 | Very low | 44.7 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 47% | 0.472 | 75% | 0.75 | S | S | . | * | cis | -174.1 | 169.5 | 8.9 | -62.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 154 | Y | 49.7 | Very low | 45.1 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 99.3 | 105.3 | 151.4 | -50.6 | -70.5 | 0 | 0 | 0 | 113.2 | ||||
| 155 | D | 43.9 | Very low | 45.5 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | 82.8 | 144.5 | 51.6 | -158.2 | 24.4 | 0 | 0 | 0 | 112.9 | |||||
| 156 | E | 46.5 | Very low | 46.3 | Very low | 165 Ų | 165 | 141 Ų | 141 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | trans | 88.2 | 105.4 | -173.8 | -71.7 | 177.6 | 153.1 | 0 | 0 | 116.8 | ||||
| 157 | D | 42 | Very low | 47.2 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 73.4 | 107.8 | 79.7 | -90.2 | -10.9 | 0 | 0 | 0 | 110.8 | |||||
| 158 | D | 41.8 | Very low | 48.1 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | 107.1 | 116.9 | 82.2 | -169.9 | 21.5 | 0 | 0 | 0 | 107.8 | |||||
| 159 | T | 47.2 | Very low | 48.7 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | 152.6 | 137.4 | 128.6 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 160 | E | 46 | Very low | 49.5 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | -68 | 167.8 | -174.2 | -63 | 166.3 | 140.8 | 0 | 0 | 114.8 | ||||
| 161 | D | 44.5 | Very low | 50.5 | Low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | 108.3 | 104.2 | 137.1 | -132.8 | 32.5 | 0 | 0 | 0 | 118.4 | ||||
| 162 | D | 42.1 | Very low | 51.6 | Low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | trans | 61.7 | 101 | 145.1 | -63.6 | -16.3 | 0 | 0 | 0 | 121.4 | ||||
| 163 | E | 43.2 | Very low | 53.1 | Low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | 174.4 | 109.3 | 114.1 | -92.9 | 172.9 | 177.6 | 0 | 0 | 110.2 | D165 | E163-D165 PolarHBondContact O-N 3.35Š| |||
| 164 | D | 51.6 | Low | 54.7 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | -4.9 | -167.9 | -110.7 | -26.4 | 0 | 0 | 0 | 118.4 | ||
| 165 | D | 54.8 | Low | 55.8 | Low | 141 Ų | 141 | 129.1 Ų | 129.1 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -10.9 | -168 | -69.7 | -21.4 | 0 | 0 | 0 | 114.5 | E163 | E163-D165 PolarHBondContact O-N 3.35Š|
| 166 | T | 57.3 | Low | 57.2 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -21.7 | 178.4 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 167 | A | 63.4 | Low | 58.8 | Low | 61 Ų | 61 | 125 Ų | 125 | 50% | 0.504 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.3 | -34.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L169 L170 A171 | A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 2.65Å; A167-L170 PolarHBondContact O-N 2.85Å; A167-A171 PolarHBondContact O-N 3.47Å; A167-A171 VanDerWaalsContact O-N 3.12Å |
| 168 | E | 63.5 | Low | 60.6 | Low | 150 Ų | 150 | 121 Ų | 121 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.6 | -31.7 | -178.9 | -153.6 | 159.1 | -155.4 | 0 | 0 | 111.8 | E172 | E168-E172 PolarHBondContact O-N 3.32Å; E168-E172 VanDerWaalsContact O-N 3.16Å |
| 169 | L | 59.9 | Low | 62.6 | Low | 126 Ų | 126 | 121 Ų | 121 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.6 | -34.1 | 176.8 | -107 | 162 | 0 | 0 | 0 | 113.8 | A167 L173 | A167-L169 VanDerWaalsContact C-N 3.29Å; A167-L169 PolarHBondContact O-N 2.65Å; L169-L173 PolarHBondContact O-N 2.9Å; L169-L173 VanDerWaalsContact O-N 3.17Å |
| 170 | L | 68.6 | Low | 64.3 | Low | 123 Ų | 123 | 123.3 Ų | 123.3 | 64% | 0.644 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.2 | -33 | 175.7 | -75.1 | 175.1 | 0 | 0 | 0 | 112.2 | A167 L173 A174 | A167-L170 PolarHBondContact O-N 2.85Å; L170-L173 HydrophobicContact CD2-CD1 4.4Å; L170-L173 PolarHBondContact O-N 3.14Å; L170-A174 WeakPolarHBondContact O-CB 3.3Å; L170-A174 PolarHBondContact O-N 3.18Å |
| 171 | A | 69.6 | Low | 65.9 | Low | 62 Ų | 62 | 121.1 Ų | 121.1 | 51% | 0.512 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A167 A174 R175 | A167-A171 PolarHBondContact O-N 3.47Å; A167-A171 VanDerWaalsContact O-N 3.12Å; A171-A174 PolarHBondContact O-N 3.23Å; A171-R175 WeakPolarHBondContact O-CB 3.33Å; A171-R175 PolarHBondContact O-N 3.09Å |
| 172 | E | 68.8 | Low | 67.7 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 51% | 0.505 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.8 | -39.2 | 175.3 | -156.9 | 69.2 | -162.6 | 0 | 0 | 111.3 | E168 R175 I176 | E168-E172 PolarHBondContact O-N 3.32Å; E168-E172 VanDerWaalsContact O-N 3.16Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-I176 HydrophobicContact CG-CD1 4.41Å; E172-I176 VanDerWaalsContact O-CG1 3.27Å; E172-I176 WeakPolarHBondContact O-CG1 3.31Å; E172-I176 PolarHBondContact O-N 3.46Å |
| 173 | L | 70.3 | Confident | 69.6 | Low | 105 Ų | 105 | 117.8 Ų | 117.8 | 55% | 0.55 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.7 | -39.9 | 173.8 | -82.9 | 175.6 | 0 | 0 | 0 | 113.1 | L169 L170 R175 I176 K177 | L169-L173 PolarHBondContact O-N 2.9Å; L169-L173 VanDerWaalsContact O-N 3.17Å; L170-L173 HydrophobicContact CD2-CD1 4.4Å; L170-L173 PolarHBondContact O-N 3.14Å; L173-R175 VanDerWaalsContact C-N 3.32Å; L173-I176 PolarHBondContact O-N 2.9Å; L173-K177 WeakPolarHBondContact O-CB 3.45Å; L173-K177 PolarHBondContact O-N 3.25Å |
| 174 | A | 74.6 | Confident | 71.6 | Confident | 59 Ų | 59 | 116 Ų | 116 | 49% | 0.488 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.9 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L170 A171 K177 A178 | L170-A174 WeakPolarHBondContact O-CB 3.3Å; L170-A174 PolarHBondContact O-N 3.18Å; A171-A174 PolarHBondContact O-N 3.23Å; A174-K177 PolarHBondContact O-N 3.24Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.08Å |
| 175 | R | 73.4 | Confident | 73.2 | Confident | 173 Ų | 173 | 111.9 Ų | 111.9 | 65% | 0.653 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.2 | -44.3 | 175.1 | -171 | -178.7 | 164.6 | 146.4 | -0.9 | 112 | A171 E172 L173 K177 A178 E179 | A171-R175 WeakPolarHBondContact O-CB 3.33Å; A171-R175 PolarHBondContact O-N 3.09Å; E172-R175 PolarHBondContact O-N 3.08Å; L173-R175 VanDerWaalsContact C-N 3.32Å; R175-K177 VanDerWaalsContact C-N 3.31Å; R175-K177 PolarHBondContact O-N 2.88Å; R175-A178 PolarHBondContact O-N 3.21Å; R175-E179 WeakPolarHBondContact O-CB 3.32Å; R175-E179 PolarHBondContact O-N 3.32Å |
| 176 | I | 72.2 | Confident | 74.7 | Confident | 75 Ų | 75 | 108.2 Ų | 108.2 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -37.9 | 175.6 | -68.1 | 166.1 | 0 | 0 | 0 | 111.2 | E172 L173 R180 | E172-I176 HydrophobicContact CG-CD1 4.41Å; E172-I176 VanDerWaalsContact O-CG1 3.27Å; E172-I176 WeakPolarHBondContact O-CG1 3.31Å; E172-I176 PolarHBondContact O-N 3.46Å; L173-I176 PolarHBondContact O-N 2.9Å; I176-R180 WeakPolarHBondContact O-CB 3.34Å; I176-R180 PolarHBondContact O-N 3.02Å |
| 177 | K | 79.3 | Confident | 76 | Confident | 153 Ų | 153 | 108.5 Ų | 108.5 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.3 | -42.9 | 177.8 | -166.9 | 178.2 | 178.6 | -174.7 | 0 | 111.7 | L173 A174 R175 R180 E181 | L173-K177 WeakPolarHBondContact O-CB 3.45Å; L173-K177 PolarHBondContact O-N 3.25Å; A174-K177 PolarHBondContact O-N 3.24Å; R175-K177 VanDerWaalsContact C-N 3.31Å; R175-K177 PolarHBondContact O-N 2.88Å; K177-R180 PolarHBondContact O-N 3.45Å; K177-E181 VanDerWaalsContact O-CB 3.31Å; K177-E181 WeakPolarHBondContact O-CB 3.19Å; K177-E181 PolarHBondContact O-N 2.88Å |
| 178 | A | 80.9 | Confident | 77.1 | Confident | 60 Ų | 60 | 109.1 Ų | 109.1 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A174 R175 E181 A182 | A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.08Å; R175-A178 PolarHBondContact O-N 3.21Å; A178-E181 PolarHBondContact O-N 2.91Å; A178-A182 WeakPolarHBondContact O-CB 3.07Å; A178-A182 PolarHBondContact O-N 2.92Å |
| 179 | E | 83.2 | Confident | 78.2 | Confident | 130 Ų | 130 | 104.7 Ų | 104.7 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -43.2 | 176.5 | -172.8 | 170.4 | -158.4 | 0 | 0 | 111.6 | R175 A182 E183 | R175-E179 WeakPolarHBondContact O-CB 3.32Å; R175-E179 PolarHBondContact O-N 3.32Å; E179-A182 PolarHBondContact O-N 3.37Å; E179-E183 PolarHBondContact O-N 3.39Å |
| 180 | R | 82.5 | Confident | 79.5 | Confident | 179 Ų | 179 | 104.1 Ų | 104.1 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.5 | -34.7 | 175.3 | -79.6 | -158 | 177 | 151.6 | 2.6 | 113.9 | I176 K177 K184 | I176-R180 WeakPolarHBondContact O-CB 3.34Å; I176-R180 PolarHBondContact O-N 3.02Å; K177-R180 PolarHBondContact O-N 3.45Å; R180-K184 VanDerWaalsContact O-CB 3.29Å; R180-K184 WeakPolarHBondContact O-CB 3.41Å; R180-K184 PolarHBondContact O-N 3.31Å |
| 181 | E | 81.2 | Confident | 80.4 | Confident | 138 Ų | 138 | 104.5 Ų | 104.5 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.4 | -38.8 | 176.9 | -169.3 | 165.8 | -160.4 | 0 | 0 | 111 | K177 A178 K184 A185 | K177-E181 VanDerWaalsContact O-CB 3.31Å; K177-E181 WeakPolarHBondContact O-CB 3.19Å; K177-E181 PolarHBondContact O-N 2.88Å; A178-E181 PolarHBondContact O-N 2.91Å; E181-K184 PolarHBondContact O-N 3.28Å; E181-A185 WeakPolarHBondContact O-CB 3.5Å; E181-A185 PolarHBondContact O-N 3.28Å |
| 182 | A | 82.2 | Confident | 81.2 | Confident | 62 Ų | 62 | 106.7 Ų | 106.7 | 51% | 0.512 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A178 E179 A185 A186 | A178-A182 WeakPolarHBondContact O-CB 3.07Å; A178-A182 PolarHBondContact O-N 2.92Å; E179-A182 PolarHBondContact O-N 3.37Å; A182-A185 PolarHBondContact O-N 3.33Å; A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.86Å |
| 183 | E | 81.6 | Confident | 82.2 | Confident | 139 Ų | 139 | 103.7 Ų | 103.7 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 176 | -172.6 | 178.2 | -160.3 | 0 | 0 | 111.5 | E179 A186 E187 | E179-E183 PolarHBondContact O-N 3.39Å; E183-A186 PolarHBondContact O-N 2.94Å; E183-E187 PolarHBondContact O-N 2.99Å |
| 184 | K | 85.4 | Confident | 83 | Confident | 138 Ų | 138 | 103.2 Ų | 103.2 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.3 | -40.5 | 176.2 | -170.5 | -177.1 | 176.3 | -165.7 | 0 | 112.2 | R180 E181 A186 E187 E188 | R180-K184 VanDerWaalsContact O-CB 3.29Å; R180-K184 WeakPolarHBondContact O-CB 3.41Å; R180-K184 PolarHBondContact O-N 3.31Å; E181-K184 PolarHBondContact O-N 3.28Å; K184-A186 VanDerWaalsContact C-N 3.34Å; K184-E187 PolarHBondContact O-N 3.5Å; K184-E188 VanDerWaalsContact CE-OE1 3.27Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 3.63Å; K184-E188 WeakPolarHBondContact O-CB 3.29Å; K184-E188 PolarHBondContact O-N 2.87Å |
| 185 | A | 85.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 105.7 Ų | 105.7 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E181 A182 A189 | E181-A185 WeakPolarHBondContact O-CB 3.5Å; E181-A185 PolarHBondContact O-N 3.28Å; A182-A185 PolarHBondContact O-N 3.33Å; A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.41Å |
| 186 | A | 85.4 | Confident | 84.3 | Confident | 64 Ų | 64 | 103.3 Ų | 103.3 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A182 E183 K184 A189 K190 | A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.86Å; E183-A186 PolarHBondContact O-N 2.94Å; K184-A186 VanDerWaalsContact C-N 3.34Å; A186-A189 PolarHBondContact O-N 2.92Å; A186-K190 WeakPolarHBondContact O-CB 3.26Å; A186-K190 PolarHBondContact O-N 2.78Å |
| 187 | E | 85.2 | Confident | 84.9 | Confident | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 177.3 | -171.9 | 62 | -156.9 | 0 | 0 | 112 | E183 K184 K190 R191 | E183-E187 PolarHBondContact O-N 2.99Å; K184-E187 PolarHBondContact O-N 3.5Å; E187-K190 PolarHBondContact O-N 3.43Å; E187-R191 WeakPolarHBondContact O-CB 3.16Å; E187-R191 PolarHBondContact O-N 3.16Å |
| 188 | E | 86.2 | Confident | 85.3 | Confident | 75 Ų | 75 | 103 Ų | 103 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 174.2 | -79.6 | -178.6 | -172.8 | 0 | 0 | 112.2 | K184 R191 Q192 | K184-E188 VanDerWaalsContact CE-OE1 3.27Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 3.63Å; K184-E188 WeakPolarHBondContact O-CB 3.29Å; K184-E188 PolarHBondContact O-N 2.87Å; E188-R191 PolarHBondContact O-N 3Å; E188-Q192 WeakPolarHBondContact O-CB 3.28Å; E188-Q192 VanDerWaalsContact O-CG 3.29Å; E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.86Å |
| 189 | A | 86.1 | Confident | 85.5 | Confident | 57 Ų | 57 | 108.2 Ų | 108.2 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A185 A186 Q192 A193 | A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.41Å; A186-A189 PolarHBondContact O-N 2.92Å; A189-Q192 PolarHBondContact O-N 3.49Å; A189-A193 PolarHBondContact O-N 3.42Å; A189-A193 VanDerWaalsContact O-N 3.07Å |
| 190 | K | 88 | Confident | 85.6 | Confident | 113 Ų | 113 | 106.2 Ų | 106.2 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 175.7 | -172.4 | -175 | 169.4 | -159.2 | 0 | 111.8 | A186 E187 Q192 A193 E194 | A186-K190 WeakPolarHBondContact O-CB 3.26Å; A186-K190 PolarHBondContact O-N 2.78Å; E187-K190 PolarHBondContact O-N 3.43Å; K190-Q192 PolarHBondContact O-N 3.48Å; K190-A193 PolarHBondContact O-N 3.19Å; K190-E194 WeakPolarHBondContact CE-OE1 3.25Å; K190-E194 WeakPolarHBondContact O-CG 3.36Å; K190-E194 PolarHBondContact O-N 3.21Å |
| 191 | R | 87.6 | Confident | 85.7 | Confident | 131 Ų | 131 | 102.4 Ų | 102.4 | 49% | 0.494 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 175.9 | -172.2 | -176.3 | 66.2 | 174.9 | -2.8 | 112 | E187 E188 A193 E194 E195 | E187-R191 WeakPolarHBondContact O-CB 3.16Å; E187-R191 PolarHBondContact O-N 3.16Å; E188-R191 PolarHBondContact O-N 3Å; R191-A193 VanDerWaalsContact C-N 3.34Å; R191-A193 PolarHBondContact O-N 3.16Å; R191-E194 PolarHBondContact O-N 2.99Å; R191-E195 IonicContact NE-OE1 3.94Å; R191-E195 WeakPolarHBondContact O-CG 3.42Å; R191-E195 PolarHBondContact O-N 3.18Å |
| 192 | Q | 86.3 | Confident | 85.8 | Confident | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.9 | -74.1 | 177.5 | 17 | 0 | 0 | 111.8 | E188 A189 K190 E194 E195 E196 | E188-Q192 WeakPolarHBondContact O-CB 3.28Å; E188-Q192 VanDerWaalsContact O-CG 3.29Å; E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.86Å; A189-Q192 PolarHBondContact O-N 3.49Å; K190-Q192 PolarHBondContact O-N 3.48Å; Q192-E194 PolarHBondContact O-N 2.91Å; Q192-E195 PolarHBondContact O-N 3.47Å; Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 2.94Å |
| 193 | A | 89.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 106.1 Ų | 106.1 | 37% | 0.372 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A189 K190 R191 E196 Q197 | A189-A193 PolarHBondContact O-N 3.42Å; A189-A193 VanDerWaalsContact O-N 3.07Å; K190-A193 PolarHBondContact O-N 3.19Å; R191-A193 VanDerWaalsContact C-N 3.34Å; R191-A193 PolarHBondContact O-N 3.16Å; A193-E196 PolarHBondContact O-N 2.87Å; A193-Q197 WeakPolarHBondContact O-CG 3.45Å; A193-Q197 PolarHBondContact O-N 3.43Å |
| 194 | E | 86.8 | Confident | 85.3 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 175.3 | -71.1 | 177.3 | -171.3 | 0 | 0 | 112 | K190 R191 Q192 E196 Q197 I198 | K190-E194 WeakPolarHBondContact CE-OE1 3.25Å; K190-E194 WeakPolarHBondContact O-CG 3.36Å; K190-E194 PolarHBondContact O-N 3.21Å; R191-E194 PolarHBondContact O-N 2.99Å; Q192-E194 PolarHBondContact O-N 2.91Å; E194-E196 PolarHBondContact O-N 3.21Å; E194-Q197 PolarHBondContact O-N 3.02Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.5Å; E194-I198 PolarHBondContact O-N 3.25Å |
| 195 | E | 88.5 | Confident | 84.8 | Confident | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 175.5 | -74.2 | 177.3 | -168.8 | 0 | 0 | 112.5 | R191 Q192 I198 R199 | R191-E195 IonicContact NE-OE1 3.94Å; R191-E195 WeakPolarHBondContact O-CG 3.42Å; R191-E195 PolarHBondContact O-N 3.18Å; Q192-E195 PolarHBondContact O-N 3.47Å; E195-I198 PolarHBondContact O-N 2.93Å; E195-R199 WeakPolarHBondContact O-CB 3.02Å; E195-R199 PolarHBondContact O-N 3.4Å |
| 196 | E | 86.3 | Confident | 84.2 | Confident | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 173.9 | -76.4 | -173.1 | 170.3 | 0 | 0 | 112.4 | Q192 A193 E194 R199 V200 | Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 2.94Å; A193-E196 PolarHBondContact O-N 2.87Å; E194-E196 PolarHBondContact O-N 3.21Å; E196-R199 PolarHBondContact O-N 2.86Å; E196-V200 WeakPolarHBondContact O-CG2 3.35Å; E196-V200 PolarHBondContact O-N 2.98Å |
| 197 | Q | 86 | Confident | 83.7 | Confident | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -45.7 | 173 | -73.7 | -180 | 19.5 | 0 | 0 | 111.5 | A193 E194 R199 V200 D201 | A193-Q197 WeakPolarHBondContact O-CG 3.45Å; A193-Q197 PolarHBondContact O-N 3.43Å; E194-Q197 PolarHBondContact O-N 3.02Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.92Å; Q197-V200 PolarHBondContact O-N 3.38Å; Q197-D201 PolarHBondContact O-N 3.45Å |
| 198 | I | 86.7 | Confident | 83.1 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 176.7 | -65.4 | 163.7 | 0 | 0 | 0 | 111.1 | E194 E195 K202 | E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.5Å; E194-I198 PolarHBondContact O-N 3.25Å; E195-I198 PolarHBondContact O-N 2.93Å; I198-K202 HydrophobicContact CG2-CD 4.31Å; I198-K202 WeakPolarHBondContact O-CB 3.45Å; I198-K202 WeakPolarHBondContact O-CG 3.43Å; I198-K202 PolarHBondContact O-N 3.35Å |
| 199 | R | 85.4 | Confident | 82.2 | Confident | 169 Ų | 169 | 107.7 Ų | 107.7 | 64% | 0.638 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -45 | 175.6 | -179.4 | -176.6 | -85.7 | 155.5 | -5.6 | 111 | E195 E196 Q197 K202 I203 | E195-R199 WeakPolarHBondContact O-CB 3.02Å; E195-R199 PolarHBondContact O-N 3.4Å; E196-R199 PolarHBondContact O-N 2.86Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 2.92Å; R199-K202 PolarHBondContact O-N 3.21Å; R199-I203 HydrophobicContact CG-CD1 4.04Å; R199-I203 VanDerWaalsContact O-CG1 3.3Å; R199-I203 WeakPolarHBondContact O-CG1 3.05Å; R199-I203 PolarHBondContact O-N 3.47Å |
| 200 | V | 85.1 | Confident | 81.2 | Confident | 89 Ų | 89 | 110.9 Ų | 110.9 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63 | -45 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | E196 Q197 K202 I203 L204 | E196-V200 WeakPolarHBondContact O-CG2 3.35Å; E196-V200 PolarHBondContact O-N 2.98Å; Q197-V200 PolarHBondContact O-N 3.38Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 2.81Å; V200-I203 PolarHBondContact O-N 2.89Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 PolarHBondContact O-N 3.33Å |
| 201 | D | 84.1 | Confident | 80 | Confident | 99 Ų | 99 | 108.2 Ų | 108.2 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -40.5 | 178 | -82.3 | -7.6 | 0 | 0 | 0 | 112.2 | Q197 L204 H205 | Q197-D201 PolarHBondContact O-N 3.45Å; D201-L204 PolarHBondContact O-N 3.28Å; D201-H205 WeakPolarHBondContact O-CB 3.07Å; D201-H205 PolarHBondContact O-N 3.48Å |
| 202 | K | 83.4 | Confident | 78.7 | Confident | 149 Ų | 149 | 105.8 Ų | 105.8 | 65% | 0.648 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -37.4 | 174.8 | -79.5 | 177.2 | -175.4 | 172.6 | 0 | 113.1 | I198 R199 V200 L204 G206 | I198-K202 HydrophobicContact CG2-CD 4.31Å; I198-K202 WeakPolarHBondContact O-CB 3.45Å; I198-K202 WeakPolarHBondContact O-CG 3.43Å; I198-K202 PolarHBondContact O-N 3.35Å; R199-K202 PolarHBondContact O-N 3.21Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 2.81Å; K202-L204 VanDerWaalsContact C-N 3.33Å; K202-G206 VanDerWaalsContact O-CA 3.24Å; K202-G206 WeakPolarHBondContact O-CA 2.99Å; K202-G206 PolarHBondContact O-N 2.99Å |
| 203 | I | 80.1 | Confident | 77.4 | Confident | 129 Ų | 129 | 105.9 Ų | 105.9 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -39.6 | 176 | -68 | 165.3 | 0 | 0 | 0 | 110.1 | R199 V200 | R199-I203 HydrophobicContact CG-CD1 4.04Å; R199-I203 VanDerWaalsContact O-CG1 3.3Å; R199-I203 WeakPolarHBondContact O-CG1 3.05Å; R199-I203 PolarHBondContact O-N 3.47Å; V200-I203 PolarHBondContact O-N 2.89Å |
| 204 | L | 74.9 | Confident | 76.2 | Confident | 120 Ų | 120 | 112.3 Ų | 112.3 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.7 | -43.5 | 179.2 | -162.9 | 75.8 | 0 | 0 | 0 | 112.4 | V200 D201 K202 | V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 PolarHBondContact O-N 3.33Å; D201-L204 PolarHBondContact O-N 3.28Å; K202-L204 VanDerWaalsContact C-N 3.33Å |
| 205 | H | 74.6 | Confident | 74.9 | Confident | 133 Ų | 133 | 117.1 Ų | 117.1 | 62% | 0.616 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -88.1 | -13.3 | -179.1 | -96.8 | 75 | 0 | 0 | 0 | 114.7 | D201 N207 T211 | D201-H205 WeakPolarHBondContact O-CB 3.07Å; D201-H205 PolarHBondContact O-N 3.48Å; H205-N207 PolarHBondContact O-N 3.49Å; H205-T211 HydrophobicContact CB-CG2 4.46Å; H205-T211 WeakPolarHBondContact O-CG2 3.5Å |
| 206 | G | 73.3 | Confident | 73.7 | Confident | 58 Ų | 58 | 118.3 Ų | 118.3 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | trans | -74.9 | -5.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | K202 P208 | K202-G206 VanDerWaalsContact O-CA 3.24Å; K202-G206 WeakPolarHBondContact O-CA 2.99Å; K202-G206 PolarHBondContact O-N 2.99Å; G206-P208 WeakPolarHBondContact O-CD 3.21Å | ||
| 207 | N | 74.2 | Confident | 72.5 | Confident | 63 Ų | 63 | 122 Ų | 122 | 34% | 0.337 | 63% | 0.63 | S | S | . | * | trans | -90 | 104.2 | 175.7 | -171.3 | -12.6 | 0 | 0 | 0 | 111 | H205 L209 L210 T211 | H205-N207 PolarHBondContact O-N 3.49Å; N207-L209 PolarHBondContact O-N 3.38Å; N207-L209 VanDerWaalsContact O-N 3.1Å; N207-L209 WeakPolarHBondContact OD1-CB 3.18Å; N207-L209 PolarHBondContact OD1-N 3.3Å; N207-L210 HydrophobicContact CB-CB 4.15Å; N207-L210 HydrophobicContact CB-CD1 3.98Å; N207-L210 HydrophobicContact CB-CG 4.24Å; N207-L210 VanDerWaalsContact ND2-CD1 3.3Å; N207-L210 WeakPolarHBondContact ND2-CD1 3.28Å; N207-L210 PolarHBondContact O-N 2.95Å; N207-T211 PolarHBondContact O-N 3.48Å; N207-T211 VanDerWaalsContact O-N 3.16Å; N207-T211 PolarHBondContact O-OG1 2.89Å; N207-T211 VanDerWaalsContact O-OG1 3.1Å | ||
| 208 | P | 72.7 | Confident | 71.7 | Confident | 102 Ų | 102 | 123.6 Ų | 123.6 | 66% | 0.662 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.9 | -15.2 | 179.6 | 28.8 | -36 | 0 | 0 | 0 | 113 | G206 S212 | G206-P208 WeakPolarHBondContact O-CD 3.21Å; P208-S212 WeakPolarHBondContact O-CB 3.27Å; P208-S212 PolarHBondContact O-OG 2.84Å |
| 209 | L | 67 | Low | 70.8 | Confident | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -81.5 | -21.4 | 175.9 | -157.6 | 73.4 | 0 | 0 | 0 | 112.8 | N207 | N207-L209 PolarHBondContact O-N 3.38Å; N207-L209 VanDerWaalsContact O-N 3.1Å; N207-L209 WeakPolarHBondContact OD1-CB 3.18Å; N207-L209 PolarHBondContact OD1-N 3.3Å |
| 210 | L | 65.7 | Low | 70.2 | Confident | 125 Ų | 125 | 125 Ų | 125 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -101.3 | -27.3 | -179.6 | -71.3 | 171.3 | 0 | 0 | 0 | 112.7 | N207 | N207-L210 HydrophobicContact CB-CB 4.15Å; N207-L210 HydrophobicContact CB-CD1 3.98Å; N207-L210 HydrophobicContact CB-CG 4.24Å; N207-L210 VanDerWaalsContact ND2-CD1 3.3Å; N207-L210 WeakPolarHBondContact ND2-CD1 3.28Å; N207-L210 PolarHBondContact O-N 2.95Å |
| 211 | T | 62 | Low | 70 | Confident | 57 Ų | 57 | 127.9 Ų | 127.9 | 35% | 0.35 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -91.5 | -8.7 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | H205 N207 T213 | H205-T211 HydrophobicContact CB-CG2 4.46Å; H205-T211 WeakPolarHBondContact O-CG2 3.5Å; N207-T211 PolarHBondContact O-N 3.48Å; N207-T211 VanDerWaalsContact O-N 3.16Å; N207-T211 PolarHBondContact O-OG1 2.89Å; N207-T211 VanDerWaalsContact O-OG1 3.1Å; T211-T213 PolarHBondContact O-N 2.9Å |
| 212 | S | 60.1 | Low | 69.7 | Low | 79 Ų | 79 | 131.7 Ų | 131.7 | 55% | 0.552 | 66% | 0.662 | S | S | * | * | trans | -76.2 | 63.2 | 168 | 39.1 | 0 | 0 | 0 | 0 | 110.8 | P208 K214 | P208-S212 WeakPolarHBondContact O-CB 3.27Å; P208-S212 PolarHBondContact O-OG 2.84Å; S212-K214 PolarHBondContact O-N 3.2Å | ||
| 213 | T | 60.2 | Low | 69.9 | Low | 111 Ų | 111 | 134.9 Ų | 134.9 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 109.6 | 166.4 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | T211 | T211-T213 PolarHBondContact O-N 2.9Š|
| 214 | K | 62.2 | Low | 70.1 | Confident | 180 Ų | 180 | 131.3 Ų | 131.3 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.4 | 46 | 151.1 | -50.3 | 168 | -175.9 | 174.8 | 0 | 118.3 | S212 D216 | S212-K214 PolarHBondContact O-N 3.2Å; K214-D216 PolarHBondContact O-N 3.05Å |
| 215 | Q | 61.5 | Low | 70.6 | Confident | 195 Ų | 195 | 130.5 Ų | 130.5 | 91% | 0.911 | 65% | 0.649 | S | S | * | * | trans | -90.8 | 84.1 | 149.7 | -69.8 | -160.6 | -10.1 | 0 | 0 | 108.9 | F217 | Q215-F217 PolarHBondContact O-N 3.41Š| ||
| 216 | D | 62 | Low | 71.3 | Confident | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | trans | -59.5 | 109.5 | 172.5 | -69.2 | -35.6 | 0 | 0 | 0 | 109 | K214 K218 | K214-D216 PolarHBondContact O-N 3.05Å; D216-K218 HydrophobicContact CB-CB 4.44Å; D216-K218 PolarHBondContact O-N 3.01Å | ||
| 217 | F | 61.7 | Low | 72 | Confident | 200 Ų | 200 | 131.1 Ų | 131.1 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | trans | -71.2 | 59.5 | 168.4 | -162.6 | -94.4 | 0 | 0 | 0 | 109.7 | Q215 V219 | Q215-F217 PolarHBondContact O-N 3.41Å; F217-V219 HydrophobicContact CE1-CG2 4.49Å; F217-V219 PolarHBondContact O-N 3.45Å | ||
| 218 | K | 69.7 | Low | 72.8 | Confident | 164 Ų | 164 | 134.2 Ų | 134.2 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | trans | -81 | 104.4 | 179 | -167.2 | 169.6 | -173.7 | -130.8 | 0 | 107.5 | D216 Q220 | D216-K218 HydrophobicContact CB-CB 4.44Å; D216-K218 PolarHBondContact O-N 3.01Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 WeakPolarHBondContact O-CG 3.42Å; K218-Q220 PolarHBondContact O-N 3.42Å | ||
| 219 | V | 68.1 | Low | 73.6 | Confident | 101 Ų | 101 | 136.8 Ų | 136.8 | 61% | 0.612 | 67% | 0.667 | S | S | * | * | trans | -54.3 | 100 | 168.2 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | F217 R221 | F217-V219 HydrophobicContact CE1-CG2 4.49Å; F217-V219 PolarHBondContact O-N 3.45Å; V219-R221 WeakPolarHBondContact CG1-O 3.35Å; V219-R221 PolarHBondContact O-N 2.99Å | ||
| 220 | Q | 71.2 | Confident | 74.7 | Confident | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.874 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -69.6 | -23.4 | -171.7 | -70.4 | -128.3 | -15.8 | 0 | 0 | 112.8 | K218 | K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 WeakPolarHBondContact O-CG 3.42Å; K218-Q220 PolarHBondContact O-N 3.42Å |
| 221 | R | 81.8 | Confident | 75.7 | Confident | 151 Ų | 151 | 134.7 Ų | 134.7 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -140.8 | 125 | 178.9 | -150.8 | 173.2 | 66.2 | 87 | -1.3 | 111 | V219 D225 | V219-R221 WeakPolarHBondContact CG1-O 3.35Å; V219-R221 PolarHBondContact O-N 2.99Å; R221-D225 HydrophobicContact CG-CB 3.87Å; R221-D225 WeakPolarHBondContact CG-OD2 3.44Å |
| 222 | R | 78.5 | Confident | 77 | Confident | 178 Ų | 178 | 136.9 Ų | 136.9 | 67% | 0.672 | 67% | 0.669 | S | S | * | * | trans | -78.7 | 149.1 | 175.4 | -63.2 | 171.4 | 68 | 125.6 | 0.1 | 108.6 | D224 D225 | R222-D224 PolarHBondContact O-N 3.2Å; R222-D224 VanDerWaalsContact O-N 3.14Å; R222-D225 WeakPolarHBondContact O-CB 3.48Å; R222-D225 PolarHBondContact O-N 3.38Å | ||
| 223 | W | 86.5 | Confident | 78.3 | Confident | 216 Ų | 216 | 136.3 Ų | 136.3 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -31.6 | 176.9 | 66.6 | -81 | 0 | 0 | 0 | 113 | D225 | W223-D225 VanDerWaalsContact C-N 3.35Å; W223-D225 PolarHBondContact O-N 3.09Å |
| 224 | D | 85.3 | Confident | 79.6 | Confident | 55 Ų | 55 | 139.5 Ų | 139.5 | 29% | 0.294 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | -9.2 | 178.4 | -69.1 | -51.9 | 0 | 0 | 0 | 115.3 | R222 D226 V227 K230 | R222-D224 PolarHBondContact O-N 3.2Å; R222-D224 VanDerWaalsContact O-N 3.14Å; D224-D226 VanDerWaalsContact C-N 3.32Å; D224-D226 PolarHBondContact O-N 2.93Å; D224-V227 WeakPolarHBondContact O-CG2 3.49Å; D224-V227 PolarHBondContact O-N 3.23Å; D224-K230 PolarHBondContact O-NZ 2.73Å |
| 225 | D | 85.4 | Confident | 80.6 | Confident | 103 Ų | 103 | 134.7 Ų | 134.7 | 55% | 0.551 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -34.1 | -165.6 | -158.7 | 28 | 0 | 0 | 0 | 112.4 | R221 R222 W223 V227 K230 | R221-D225 HydrophobicContact CG-CB 3.87Å; R221-D225 WeakPolarHBondContact CG-OD2 3.44Å; R222-D225 WeakPolarHBondContact O-CB 3.48Å; R222-D225 PolarHBondContact O-N 3.38Å; W223-D225 VanDerWaalsContact C-N 3.35Å; W223-D225 PolarHBondContact O-N 3.09Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 3.19Å; D225-K230 PolarHBondContact O-NZ 3.38Å |
| 226 | D | 87.5 | Confident | 81.7 | Confident | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 14.4 | -176.2 | -159.6 | 17.2 | 0 | 0 | 0 | 114.8 | D224 | D224-D226 VanDerWaalsContact C-N 3.32Å; D224-D226 PolarHBondContact O-N 2.93Å |
| 227 | V | 89.7 | Confident | 82.3 | Confident | 72 Ų | 72 | 127 Ų | 127 | 44% | 0.436 | 65% | 0.645 | S | S | . | * | trans | -83.7 | 120 | 175.1 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | D224 D225 F229 K230 | D224-V227 WeakPolarHBondContact O-CG2 3.49Å; D224-V227 PolarHBondContact O-N 3.23Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 3.19Å; V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 VanDerWaalsContact CG1-O 3.26Å; V227-F229 WeakPolarHBondContact CG1-O 3.11Å; V227-F229 PolarHBondContact O-N 2.69Å; V227-K230 HydrophobicContact CB-CD 4.42Å; V227-K230 WeakPolarHBondContact O-CD 3.44Å; V227-K230 WeakPolarHBondContact O-CE 3.34Å; V227-K230 PolarHBondContact O-NZ 3.14Å | ||
| 228 | V | 89.5 | Confident | 82.7 | Confident | 127 Ų | 127 | 126.8 Ų | 126.8 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -66.2 | -22.8 | -178.2 | -62.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 229 | F | 91.1 | Very high | 82.4 | Confident | 156 Ų | 156 | 126.9 Ų | 126.9 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -113.8 | 122.5 | 175.1 | -63.1 | -67.4 | 0 | 0 | 0 | 110.6 | V227 | V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 VanDerWaalsContact CG1-O 3.26Å; V227-F229 WeakPolarHBondContact CG1-O 3.11Å; V227-F229 PolarHBondContact O-N 2.69Å |
| 230 | K | 89.6 | Confident | 81.9 | Confident | 104 Ų | 104 | 130.4 Ų | 130.4 | 45% | 0.452 | 66% | 0.655 | S | S | . | * | trans | -110.8 | 131.2 | 174.9 | -53.7 | -56 | -164.6 | -153.6 | 0 | 110.2 | D224 D225 V227 C232 | D224-K230 PolarHBondContact O-NZ 2.73Å; D225-K230 PolarHBondContact O-NZ 3.38Å; V227-K230 HydrophobicContact CB-CD 4.42Å; V227-K230 WeakPolarHBondContact O-CD 3.44Å; V227-K230 WeakPolarHBondContact O-CE 3.34Å; V227-K230 PolarHBondContact O-NZ 3.14Å; K230-C232 VanDerWaalsContact C-N 3.32Å; K230-C232 PolarHBondContact O-N 3.19Å | ||
| 231 | N | 87 | Confident | 81.6 | Confident | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | trans | 43.6 | 46.2 | 161.5 | -57.5 | 23.6 | 0 | 0 | 0 | 115.9 | A233 K234 | N231-A233 PolarHBondContact O-N 2.9Å; N231-K234 HydrophobicContact CB-CB 4.12Å; N231-K234 WeakPolarHBondContact O-CB 3.28Å; N231-K234 PolarHBondContact O-N 3.21Å | ||
| 232 | C | 88.8 | Confident | 81.1 | Confident | 103 Ų | 103 | 123.7 Ų | 123.7 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -22.9 | -175.3 | -55.7 | 0 | 0 | 0 | 0 | 114.5 | K230 | K230-C232 VanDerWaalsContact C-N 3.32Å; K230-C232 PolarHBondContact O-N 3.19Å |
| 233 | A | 86.2 | Confident | 81.1 | Confident | 68 Ų | 68 | 122 Ų | 122 | 56% | 0.562 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 14.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N231 G235 I236 | N231-A233 PolarHBondContact O-N 2.9Å; A233-G235 PolarHBondContact O-N 3.38Å; A233-G235 VanDerWaalsContact O-N 3.13Å; A233-I236 HydrophobicContact CB-CD1 4.15Å; A233-I236 PolarHBondContact O-N 3.41Å; A233-I236 VanDerWaalsContact O-N 3.16Å |
| 234 | K | 87.7 | Confident | 81.1 | Confident | 178 Ų | 178 | 115.8 Ų | 115.8 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 117.9 | 179.3 | -170.7 | 175.4 | 179.8 | -177.5 | 0 | 110.2 | N231 | N231-K234 HydrophobicContact CB-CB 4.12Å; N231-K234 WeakPolarHBondContact O-CB 3.28Å; N231-K234 PolarHBondContact O-N 3.21Å |
| 235 | G | 84.4 | Confident | 81.4 | Confident | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.4 | -3.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | A233 S237 | A233-G235 PolarHBondContact O-N 3.38Å; A233-G235 VanDerWaalsContact O-N 3.13Å; G235-S237 PolarHBondContact O-N 3.34Å |
| 236 | I | 83.2 | Confident | 81.8 | Confident | 95 Ų | 95 | 119.4 Ų | 119.4 | 49% | 0.487 | 64% | 0.644 | S | S | . | * | trans | -78.4 | 92.8 | 171.1 | -55.3 | 178.7 | 0 | 0 | 0 | 107.6 | A233 K240 | A233-I236 HydrophobicContact CB-CD1 4.15Å; A233-I236 PolarHBondContact O-N 3.41Å; A233-I236 VanDerWaalsContact O-N 3.16Å; I236-K240 HydrophobicContact CG2-CG 4.35Å | ||
| 237 | S | 76.3 | Confident | 82.1 | Confident | 77 Ų | 77 | 120.3 Ų | 120.3 | 54% | 0.538 | 65% | 0.649 | S | S | . | * | trans | -60.8 | 141.7 | 170.2 | 75.8 | 0 | 0 | 0 | 0 | 109.3 | G235 K239 | G235-S237 PolarHBondContact O-N 3.34Å; S237-K239 PolarHBondContact O-N 3.37Å | ||
| 238 | E | 69.3 | Low | 82.3 | Confident | 195 Ų | 195 | 118.8 Ų | 118.8 | 91% | 0.911 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -59.3 | -5.4 | -178.2 | -65 | -177.2 | 169.6 | 0 | 0 | 114.3 | K240 | E238-K240 PolarHBondContact O-N 3.14Š|
| 239 | K | 62.5 | Low | 82.6 | Confident | 166 Ų | 166 | 116.6 Ų | 116.6 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | trans | -73.2 | 50.4 | 173.4 | -56.9 | -178.4 | -179.1 | -179.2 | 0 | 112.1 | S237 S241 | S237-K239 PolarHBondContact O-N 3.37Å; K239-S241 PolarHBondContact O-N 3.07Å | ||
| 240 | K | 58.9 | Low | 82.7 | Confident | 175 Ų | 175 | 114.8 Ų | 114.8 | 76% | 0.761 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -63.1 | -8.3 | -178 | -70.7 | -173.1 | 176.8 | -179.5 | 0 | 114.4 | I236 E238 | I236-K240 HydrophobicContact CG2-CG 4.35Å; E238-K240 PolarHBondContact O-N 3.14Å |
| 241 | S | 64.3 | Low | 82.9 | Confident | 53 Ų | 53 | 118 Ų | 118 | 37% | 0.371 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -146.8 | 116.7 | 161.2 | 60.4 | 0 | 0 | 0 | 0 | 106.9 | K239 | K239-S241 PolarHBondContact O-N 3.07Š|
| 242 | E | 71.1 | Confident | 83.2 | Confident | 144 Ų | 144 | 113.3 Ų | 113.3 | 67% | 0.673 | 62% | 0.617 | S | S | * | * | trans | -51.2 | 154.1 | 158.3 | -66.3 | -171.6 | 158.9 | 0 | 0 | 108.8 | T244 | E242-T244 PolarHBondContact O-N 3.47Å; E242-T244 PolarHBondContact O-OG1 3.08Å | ||
| 243 | P | 79.3 | Confident | 83.3 | Confident | 141 Ų | 141 | 111.1 Ų | 111.1 | 92% | 0.916 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -66.7 | 76.7 | 176.4 | 29.2 | -35.4 | 0 | 0 | 0 | 109.8 | ||
| 244 | T | 86.8 | Confident | 83.6 | Confident | 86 Ų | 86 | 115.2 Ų | 115.2 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | trans | -95.4 | 120 | 178.7 | -51.6 | 0 | 0 | 0 | 0 | 107.5 | E242 I246 | E242-T244 PolarHBondContact O-N 3.47Å; E242-T244 PolarHBondContact O-OG1 3.08Å; T244-I246 HydrophobicContact CG2-CG1 4.18Å | ||
| 245 | F | 91.5 | Very high | 83.9 | Confident | 176 Ų | 176 | 108.8 Ų | 108.8 | 77% | 0.772 | 57% | 0.574 | S | S | * | * | trans | -86.4 | 123.2 | 168.6 | 178.2 | -100.6 | 0 | 0 | 0 | 109.1 | N247 | F245-N247 HydrophobicContact CE1-CB 4.07Š| ||
| 246 | I | 92.4 | Very high | 84.4 | Confident | 58 Ų | 58 | 110 Ų | 110 | 30% | 0.297 | 56% | 0.557 | S | S | . | * | trans | -111.1 | 121.4 | 174.3 | -55.5 | 175.6 | 0 | 0 | 0 | 107 | T244 D248 R251 | T244-I246 HydrophobicContact CG2-CG1 4.18Å; I246-D248 HydrophobicContact CG2-CB 3.81Å; I246-D248 PolarHBondContact O-N 3.18Å; I246-R251 HydrophobicContact CG2-CB 4.39Å | ||
| 247 | N | 94.1 | Very high | 84.9 | Confident | 152 Ų | 152 | 111.3 Ų | 111.3 | 81% | 0.813 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -76.9 | 60.6 | 174.4 | -171.6 | 19 | 0 | 0 | 0 | 111 | F245 | F245-N247 HydrophobicContact CE1-CB 4.07Š|
| 248 | D | 95 | Very high | 85.8 | Confident | 40 Ų | 40 | 111.7 Ų | 111.7 | 21% | 0.214 | 55% | 0.551 | C | S | . | * | trans | -151.1 | 122.8 | 177.8 | -177.6 | -16.7 | 0 | 0 | 0 | 108.9 | I246 L250 R251 S252 | I246-D248 HydrophobicContact CG2-CB 3.81Å; I246-D248 PolarHBondContact O-N 3.18Å; D248-L250 VanDerWaalsContact C-N 3.26Å; D248-L250 PolarHBondContact O-N 2.82Å; D248-L250 PolarHBondContact OD1-N 3.18Å; D248-R251 HydrophobicContact CB-CB 4.11Å; D248-R251 PolarHBondContact OD1-N 3.07Å; D248-R251 WeakPolarHBondContact OD2-CB 3.31Å; D248-R251 WeakPolarHBondContact OD2-CD 3.08Å; D248-R251 WeakPolarHBondContact OD2-CG 3.33Å; D248-R251 IonicContact OD2-CZ 4Å; D248-R251 IonicContact OD2-NE 2.63Å; D248-R251 IonicContact OD2-NH1 3.41Å; D248-R251 PolarHBondContact OD2-NH1 2.64Å; D248-S252 WeakPolarHBondContact O-CB 3.5Å; D248-S252 PolarHBondContact O-N 3.14Å; D248-S252 VanDerWaalsContact O-N 3.09Å | ||
| 249 | A | 94.5 | Very high | 87.1 | Confident | 81 Ų | 81 | 105.4 Ų | 105.4 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H255 | A249-H255 WeakPolarHBondContact O-CB 3.23Å; A249-H255 PolarHBondContact O-ND1 2.69Å |
| 250 | L | 94.7 | Very high | 88.7 | Confident | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -30 | -178 | -59.8 | -178.6 | 0 | 0 | 0 | 112.8 | D248 H255 | D248-L250 VanDerWaalsContact C-N 3.26Å; D248-L250 PolarHBondContact O-N 2.82Å; D248-L250 PolarHBondContact OD1-N 3.18Å; L250-H255 PolarHBondContact O-CD2 3.47Å |
| 251 | R | 92.4 | Very high | 90.5 | Very high | 170 Ų | 170 | 104.2 Ų | 104.2 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -12.9 | -178.7 | -64 | -177.9 | -172.4 | 107.7 | -3.6 | 114 | I246 D248 K256 | I246-R251 HydrophobicContact CG2-CB 4.39Å; D248-R251 HydrophobicContact CB-CB 4.11Å; D248-R251 PolarHBondContact OD1-N 3.07Å; D248-R251 WeakPolarHBondContact OD2-CB 3.31Å; D248-R251 WeakPolarHBondContact OD2-CD 3.08Å; D248-R251 WeakPolarHBondContact OD2-CG 3.33Å; D248-R251 IonicContact OD2-CZ 4Å; D248-R251 IonicContact OD2-NE 2.63Å; D248-R251 IonicContact OD2-NH1 3.41Å; D248-R251 PolarHBondContact OD2-NH1 2.64Å; R251-K256 VanDerWaalsContact O-CE 3.32Å; R251-K256 WeakPolarHBondContact O-CE 3.47Å |
| 252 | S | 93 | Very high | 92 | Very high | 25 Ų | 25 | 108.8 Ų | 108.8 | 18% | 0.175 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -55.5 | 140.4 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | D248 F254 H255 K256 | D248-S252 WeakPolarHBondContact O-CB 3.5Å; D248-S252 PolarHBondContact O-N 3.14Å; D248-S252 VanDerWaalsContact O-N 3.09Å; S252-F254 PolarHBondContact O-N 3.45Å; S252-F254 VanDerWaalsContact O-N 3.14Å; S252-F254 WeakPolarHBondContact OG-CB 3.47Å; S252-F254 PolarHBondContact OG-N 3.31Å; S252-H255 WeakPolarHBondContact O-CB 3.43Å; S252-H255 PolarHBondContact O-N 3.42Å; S252-K256 PolarHBondContact O-N 3.44Å; S252-K256 VanDerWaalsContact O-N 3.08Å |
| 253 | E | 91.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 107.3 Ų | 107.3 | 27% | 0.266 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.3 | -29.5 | 172.3 | -65.7 | -55.9 | 125.3 | 0 | 0 | 111.8 | K256 K257 | E253-K256 IonicContact OE1-NZ 3.59Å; E253-K256 PolarHBondContact OE1-NZ 3.3Å; E253-K257 WeakPolarHBondContact O-CB 3.32Å; E253-K257 VanDerWaalsContact O-CG 3.29Å; E253-K257 WeakPolarHBondContact O-CG 3.46Å; E253-K257 PolarHBondContact O-N 3.15Å; E253-K257 VanDerWaalsContact O-N 3.08Å |
| 254 | F | 93 | Very high | 93.7 | Very high | 154 Ų | 154 | 113.7 Ų | 113.7 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.7 | -47.4 | 171.6 | 174.2 | -97.5 | 0 | 0 | 0 | 111.7 | S252 F258 | S252-F254 PolarHBondContact O-N 3.45Å; S252-F254 VanDerWaalsContact O-N 3.14Å; S252-F254 WeakPolarHBondContact OG-CB 3.47Å; S252-F254 PolarHBondContact OG-N 3.31Å; F254-F258 VanDerWaalsContact O-CB 3.32Å; F254-F258 WeakPolarHBondContact O-CB 3.35Å; F254-F258 PolarHBondContact O-N 3.27Å |
| 255 | H | 94.9 | Very high | 94 | Very high | 42 Ų | 42 | 115.1 Ų | 115.1 | 19% | 0.194 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -70.7 | -40.7 | -177.8 | -172.2 | 83.1 | 0 | 0 | 0 | 112.2 | A249 L250 S252 K257 F258 M259 | A249-H255 WeakPolarHBondContact O-CB 3.23Å; A249-H255 PolarHBondContact O-ND1 2.69Å; L250-H255 PolarHBondContact O-CD2 3.47Å; S252-H255 WeakPolarHBondContact O-CB 3.43Å; S252-H255 PolarHBondContact O-N 3.42Å; H255-K257 PolarHBondContact O-N 2.74Å; H255-F258 WeakPolarHBondContact O-CB 3.3Å; H255-F258 PolarHBondContact O-N 2.86Å; H255-M259 WeakPolarHBondContact CE1-CE 3.29Å; H255-M259 WeakPolarHBondContact O-CG 3.5Å; H255-M259 PolarHBondContact O-N 2.77Å |
| 256 | K | 93.3 | Very high | 94.2 | Very high | 105 Ų | 105 | 111.9 Ų | 111.9 | 46% | 0.457 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 174.3 | -65 | 178.6 | -172.5 | 167.1 | 0 | 111.3 | R251 S252 E253 F258 M259 E260 | R251-K256 VanDerWaalsContact O-CE 3.32Å; R251-K256 WeakPolarHBondContact O-CE 3.47Å; S252-K256 PolarHBondContact O-N 3.44Å; S252-K256 VanDerWaalsContact O-N 3.08Å; E253-K256 IonicContact OE1-NZ 3.59Å; E253-K256 PolarHBondContact OE1-NZ 3.3Å; K256-F258 VanDerWaalsContact C-N 3.34Å; K256-F258 PolarHBondContact O-N 3.06Å; K256-M259 PolarHBondContact O-N 3.14Å; K256-E260 WeakPolarHBondContact O-CB 3.36Å; K256-E260 PolarHBondContact O-N 2.97Å |
| 257 | K | 93.7 | Very high | 94.3 | Very high | 122 Ų | 122 | 114.9 Ų | 114.9 | 53% | 0.53 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 176.8 | -71.5 | 177 | -178.2 | 179.6 | 0 | 112.8 | E253 H255 K261 | E253-K257 WeakPolarHBondContact O-CB 3.32Å; E253-K257 VanDerWaalsContact O-CG 3.29Å; E253-K257 WeakPolarHBondContact O-CG 3.46Å; E253-K257 PolarHBondContact O-N 3.15Å; E253-K257 VanDerWaalsContact O-N 3.08Å; H255-K257 PolarHBondContact O-N 2.74Å; K257-K261 VanDerWaalsContact O-CB 3.26Å; K257-K261 WeakPolarHBondContact O-CB 3.36Å; K257-K261 PolarHBondContact O-N 3.04Å |
| 258 | F | 95.8 | Very high | 94.3 | Very high | 85 Ų | 85 | 112.7 Ų | 112.7 | 37% | 0.373 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 174.9 | 177.3 | -84.8 | 0 | 0 | 0 | 110.6 | F254 H255 K256 K261 Y262 | F254-F258 VanDerWaalsContact O-CB 3.32Å; F254-F258 WeakPolarHBondContact O-CB 3.35Å; F254-F258 PolarHBondContact O-N 3.27Å; H255-F258 WeakPolarHBondContact O-CB 3.3Å; H255-F258 PolarHBondContact O-N 2.86Å; K256-F258 VanDerWaalsContact C-N 3.34Å; K256-F258 PolarHBondContact O-N 3.06Å; F258-K261 PolarHBondContact O-N 2.98Å; F258-Y262 HydrophobicContact CD1-CD2 4.21Å; F258-Y262 AromaticContact CD2-CD2 3.51Å; F258-Y262 HydrophobicContact CD2-CD2 3.51Å; F258-Y262 AromaticContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CE1-CD2 4.13Å; F258-Y262 AromaticContact CE2-CD2 3.41Å; F258-Y262 HydrophobicContact CE2-CD2 3.41Å; F258-Y262 VanDerWaalsContact CE2-CD2 3.41Å; F258-Y262 AromaticContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CE2 3.46Å; F258-Y262 VanDerWaalsContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CG 4.35Å; F258-Y262 AromaticContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CE2 4.36Å; F258-Y262 AromaticContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CE2 4.21Å; F258-Y262 HydrophobicContact CZ-CG 4.31Å; F258-Y262 VanDerWaalsContact O-CD2 3.28Å; F258-Y262 WeakPolarHBondContact O-CD2 3.23Å; F258-Y262 PolarHBondContact O-N 3.36Å |
| 259 | M | 96.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 117.3 Ų | 117.3 | 32% | 0.315 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 179.6 | -66 | -56.4 | 161.2 | 0 | 0 | 112.1 | H255 K256 K261 Y262 I263 | H255-M259 WeakPolarHBondContact CE1-CE 3.29Å; H255-M259 WeakPolarHBondContact O-CG 3.5Å; H255-M259 PolarHBondContact O-N 2.77Å; K256-M259 PolarHBondContact O-N 3.14Å; M259-K261 VanDerWaalsContact C-N 3.25Å; M259-K261 PolarHBondContact O-N 3.3Å; M259-Y262 PolarHBondContact O-N 3.38Å; M259-I263 HydrophobicContact CB-CD1 4.45Å; M259-I263 WeakPolarHBondContact O-CB 3.49Å; M259-I263 PolarHBondContact O-N 3.38Å; M259-I263 HydrophobicContact SD-CD1 3.45Å; M259-I263 WeakPolarHBondContact SD-CD1 3.46Å; M259-I263 HydrophobicContact SD-CG1 4.17Å |
| 260 | E | 95.3 | Very high | 94.2 | Very high | 158 Ų | 158 | 119.7 Ų | 119.7 | 74% | 0.738 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.7 | -34.8 | 172.4 | -176.2 | -178.5 | -175.5 | 0 | 0 | 112.8 | K256 | K256-E260 WeakPolarHBondContact O-CB 3.36Å; K256-E260 PolarHBondContact O-N 2.97Å |
| 261 | K | 96.6 | Very high | 94.2 | Very high | 158 Ų | 158 | 119.8 Ų | 119.8 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -80.3 | -40.5 | -178.7 | -176.2 | 176.4 | -179.3 | -177 | 0 | 113.5 | K257 F258 M259 | K257-K261 VanDerWaalsContact O-CB 3.26Å; K257-K261 WeakPolarHBondContact O-CB 3.36Å; K257-K261 PolarHBondContact O-N 3.04Å; F258-K261 PolarHBondContact O-N 2.98Å; M259-K261 VanDerWaalsContact C-N 3.25Å; M259-K261 PolarHBondContact O-N 3.3Å |
| 262 | Y | 97.3 | Very high | 94.3 | Very high | 149 Ų | 149 | 115.9 Ų | 115.9 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -101.6 | -14.6 | -169.9 | -70.5 | -74.7 | 0 | 0 | 0 | 114 | F258 M259 | F258-Y262 HydrophobicContact CD1-CD2 4.21Å; F258-Y262 AromaticContact CD2-CD2 3.51Å; F258-Y262 HydrophobicContact CD2-CD2 3.51Å; F258-Y262 AromaticContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CD2-CE2 3.55Å; F258-Y262 HydrophobicContact CE1-CD2 4.13Å; F258-Y262 AromaticContact CE2-CD2 3.41Å; F258-Y262 HydrophobicContact CE2-CD2 3.41Å; F258-Y262 VanDerWaalsContact CE2-CD2 3.41Å; F258-Y262 AromaticContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CE2 3.46Å; F258-Y262 VanDerWaalsContact CE2-CE2 3.46Å; F258-Y262 HydrophobicContact CE2-CG 4.35Å; F258-Y262 AromaticContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CD2 3.92Å; F258-Y262 HydrophobicContact CG-CE2 4.36Å; F258-Y262 AromaticContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CD2 3.74Å; F258-Y262 HydrophobicContact CZ-CE2 4.21Å; F258-Y262 HydrophobicContact CZ-CG 4.31Å; F258-Y262 VanDerWaalsContact O-CD2 3.28Å; F258-Y262 WeakPolarHBondContact O-CD2 3.23Å; F258-Y262 PolarHBondContact O-N 3.36Å; M259-Y262 PolarHBondContact O-N 3.38Å |
| 263 | I | 94.8 | Very high | 94.4 | Very high | 112 Ų | 112 | 123.5 Ų | 123.5 | 57% | 0.574 | 55% | 0.55 | S | S | * | . | trans | -114.3 | 122.6 | 174.2 | -53.6 | -179.9 | 0 | 0 | 0 | 107.5 | M259 | M259-I263 HydrophobicContact CB-CD1 4.45Å; M259-I263 WeakPolarHBondContact O-CB 3.49Å; M259-I263 PolarHBondContact O-N 3.38Å; M259-I263 HydrophobicContact SD-CD1 3.45Å; M259-I263 WeakPolarHBondContact SD-CD1 3.46Å; M259-I263 HydrophobicContact SD-CG1 4.17Å | ||
| 264 | K | 89.9 | Confident | 94.7 | Very high | 276 Ų | 276 | 129.5 Ų | 129.5 | 100% | 1.2 | 58% | 0.575 | S | S | * | * | trans | -102.2 | 0 | 178.5 | -174.7 | 176.3 | -179 | 179.8 | 0 | 111.3 |
Retrieved 264 of 264 residues in 215.3 ms
(Link to these results)