| 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 | 50.2 | Low | 65.5 | Low | 249 Ų | 249 | 141.1 Ų | 141.1 | 100% | 1.227 | 67% | 0.671 | S | S | * | * | 0 | 127.6 | 0 | -115.7 | 161.8 | 168.2 | 0 | 0 | 109.3 | |||||
| 2 | S | 63.2 | Low | 66.5 | Low | 63 Ų | 63 | 131.8 Ų | 131.8 | 44% | 0.441 | 64% | 0.64 | S | S | . | * | trans | -83.1 | 136.8 | -141.3 | -174.5 | 0 | 0 | 0 | 0 | 115.7 | R4 Y5 | S2-R4 PolarHBondContact O-N 3.38Å; S2-R4 PolarHBondContact OG-N 2.93Å; S2-Y5 PolarHBondContact O-N 3.37Å | ||
| 3 | K | 64.3 | Low | 67.9 | Low | 191 Ų | 191 | 133.4 Ų | 133.4 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -43.5 | -27.3 | 167.1 | -70.8 | 178.8 | 177.7 | 177.8 | 0 | 113.4 | Y5 L6 Q7 | K3-Y5 VanDerWaalsContact C-N 3.33Å; K3-Y5 PolarHBondContact O-N 3.46Å; K3-L6 PolarHBondContact O-N 3.49Å; K3-Q7 PolarHBondContact O-N 3.46Å |
| 4 | R | 64.9 | Low | 69.1 | Low | 193 Ų | 193 | 131.4 Ų | 131.4 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.8 | -33.8 | 174.7 | -65.8 | -176.3 | 177.1 | -175.7 | -0.5 | 113.7 | S2 K8 | S2-R4 PolarHBondContact O-N 3.38Å; S2-R4 PolarHBondContact OG-N 2.93Å; R4-K8 WeakPolarHBondContact O-CB 3.36Å; R4-K8 WeakPolarHBondContact O-CG 3.33Å; R4-K8 PolarHBondContact O-N 2.91Å; R4-K8 VanDerWaalsContact O-N 3.08Å |
| 5 | Y | 64.1 | Low | 70.2 | Confident | 187 Ų | 187 | 130.6 Ų | 130.6 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.8 | -44.1 | 175.3 | -99.2 | -89.2 | 0 | 0 | 0 | 111.4 | S2 K3 Q7 K8 A9 | S2-Y5 PolarHBondContact O-N 3.37Å; K3-Y5 VanDerWaalsContact C-N 3.33Å; K3-Y5 PolarHBondContact O-N 3.46Å; Y5-Q7 VanDerWaalsContact C-N 3.35Å; Y5-Q7 PolarHBondContact O-N 3.11Å; Y5-K8 PolarHBondContact O-N 3.28Å; Y5-A9 WeakPolarHBondContact O-CB 3.35Å; Y5-A9 PolarHBondContact O-N 2.88Å |
| 6 | L | 66.5 | Low | 71.2 | Confident | 129 Ų | 129 | 128.9 Ų | 128.9 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.2 | -41.3 | 178.5 | -162.2 | 71.4 | 0 | 0 | 0 | 111 | K3 A9 T10 | K3-L6 PolarHBondContact O-N 3.49Å; L6-A9 PolarHBondContact O-N 3.3Å; L6-T10 WeakPolarHBondContact O-CG2 3.34Å; L6-T10 PolarHBondContact O-N 3.08Å; L6-T10 PolarHBondContact O-OG1 3.31Å; L6-T10 VanDerWaalsContact O-OG1 3.12Å |
| 7 | Q | 65 | Low | 72 | Confident | 112 Ų | 112 | 127.2 Ų | 127.2 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.2 | -34.1 | 177.1 | -161.4 | -179.1 | -8.6 | 0 | 0 | 113.2 | K3 Y5 T10 K11 | K3-Q7 PolarHBondContact O-N 3.46Å; Y5-Q7 VanDerWaalsContact C-N 3.35Å; Y5-Q7 PolarHBondContact O-N 3.11Å; Q7-T10 WeakPolarHBondContact CA-OG1 3.34Å; Q7-T10 PolarHBondContact O-OG1 3.47Å; Q7-T10 VanDerWaalsContact O-OG1 3.08Å; Q7-K11 WeakPolarHBondContact O-CB 3.36Å; Q7-K11 VanDerWaalsContact O-CG 3.29Å; Q7-K11 WeakPolarHBondContact O-CG 3.46Å; Q7-K11 PolarHBondContact O-N 3.42Å; Q7-K11 VanDerWaalsContact O-N 3.12Å |
| 8 | K | 63.4 | Low | 72.8 | Confident | 162 Ų | 162 | 125.2 Ų | 125.2 | 70% | 0.704 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.1 | -42 | 171 | -79.2 | -178.4 | 178.2 | -173.1 | 0 | 111.3 | R4 Y5 G12 | R4-K8 WeakPolarHBondContact O-CB 3.36Å; R4-K8 WeakPolarHBondContact O-CG 3.33Å; R4-K8 PolarHBondContact O-N 2.91Å; R4-K8 VanDerWaalsContact O-N 3.08Å; Y5-K8 PolarHBondContact O-N 3.28Å; K8-G12 PolarHBondContact O-N 2.84Å |
| 9 | A | 69.4 | Low | 73.4 | Confident | 57 Ų | 57 | 125.9 Ų | 125.9 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.3 | -39.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y5 L6 G12 K13 | Y5-A9 WeakPolarHBondContact O-CB 3.35Å; Y5-A9 PolarHBondContact O-N 2.88Å; L6-A9 PolarHBondContact O-N 3.3Å; A9-G12 PolarHBondContact O-N 3.39Å; A9-K13 PolarHBondContact O-N 2.95Å |
| 10 | T | 75.2 | Confident | 74 | Confident | 77 Ų | 77 | 123.9 Ų | 123.9 | 47% | 0.472 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.9 | -43 | 176.3 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | L6 Q7 G12 K13 L14 | L6-T10 WeakPolarHBondContact O-CG2 3.34Å; L6-T10 PolarHBondContact O-N 3.08Å; L6-T10 PolarHBondContact O-OG1 3.31Å; L6-T10 VanDerWaalsContact O-OG1 3.12Å; Q7-T10 WeakPolarHBondContact CA-OG1 3.34Å; Q7-T10 PolarHBondContact O-OG1 3.47Å; Q7-T10 VanDerWaalsContact O-OG1 3.08Å; T10-G12 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 2.89Å; T10-K13 PolarHBondContact O-N 3.17Å; T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 PolarHBondContact O-N 2.95Å |
| 11 | K | 74.8 | Confident | 74.4 | Confident | 132 Ų | 132 | 122.7 Ų | 122.7 | 57% | 0.574 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.4 | -43.2 | 172.7 | -75.1 | -178.3 | 177.4 | -171.1 | 0 | 111.8 | Q7 L14 L15 | Q7-K11 WeakPolarHBondContact O-CB 3.36Å; Q7-K11 VanDerWaalsContact O-CG 3.29Å; Q7-K11 WeakPolarHBondContact O-CG 3.46Å; Q7-K11 PolarHBondContact O-N 3.42Å; Q7-K11 VanDerWaalsContact O-N 3.12Å; K11-L14 PolarHBondContact O-N 3.4Å; K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 3.49Å; K11-L15 VanDerWaalsContact O-N 3.07Å |
| 12 | G | 77.2 | Confident | 75.9 | Confident | 29 Ų | 29 | 113.9 Ų | 113.9 | 30% | 0.299 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | K8 A9 T10 L14 L15 I16 | K8-G12 PolarHBondContact O-N 2.84Å; A9-G12 PolarHBondContact O-N 3.39Å; T10-G12 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 2.89Å; G12-L14 PolarHBondContact O-N 3.41Å; G12-L15 PolarHBondContact O-N 2.91Å; G12-I16 WeakPolarHBondContact O-CG1 3.29Å; G12-I16 PolarHBondContact O-N 3.31Å; G12-I16 VanDerWaalsContact O-N 3.11Å |
| 13 | K | 84.4 | Confident | 76.5 | Confident | 153 Ų | 153 | 115.2 Ų | 115.2 | 67% | 0.665 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.4 | -43.1 | 175.1 | -88.3 | -174.2 | 174.1 | -178.7 | 0 | 112.5 | A9 T10 L15 I16 I17 | A9-K13 PolarHBondContact O-N 2.95Å; T10-K13 PolarHBondContact O-N 3.17Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-L15 PolarHBondContact O-N 3.28Å; K13-I16 PolarHBondContact O-N 3.32Å; K13-I17 WeakPolarHBondContact O-CG1 3.42Å; K13-I17 PolarHBondContact O-N 3.5Å |
| 14 | L | 85.3 | Confident | 76.8 | Confident | 106 Ų | 106 | 115.5 Ų | 115.5 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.1 | -43 | 179.7 | -173.3 | 67.6 | 0 | 0 | 0 | 111.6 | T10 K11 G12 I16 I17 I18 | T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 PolarHBondContact O-N 2.95Å; K11-L14 PolarHBondContact O-N 3.4Å; G12-L14 PolarHBondContact O-N 3.41Å; L14-I16 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 3.28Å; L14-I18 HydrophobicContact CG-CD1 4.17Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.47Å |
| 15 | L | 85.1 | Confident | 76.7 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 62% | 0.623 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 176.4 | -71.1 | 173.4 | 0 | 0 | 0 | 112.2 | K11 G12 K13 I17 I18 F19 | K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 3.49Å; K11-L15 VanDerWaalsContact O-N 3.07Å; G12-L15 PolarHBondContact O-N 2.91Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-L15 PolarHBondContact O-N 3.28Å; L15-I17 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 3.12Å; L15-F19 WeakPolarHBondContact O-CB 3.47Å; L15-F19 PolarHBondContact O-N 3.08Å |
| 16 | I | 85.7 | Confident | 76.6 | Confident | 103 Ų | 103 | 107.1 Ų | 107.1 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.9 | -67.1 | 166.4 | 0 | 0 | 0 | 110.8 | G12 K13 L14 F19 I20 | G12-I16 WeakPolarHBondContact O-CG1 3.29Å; G12-I16 PolarHBondContact O-N 3.31Å; G12-I16 VanDerWaalsContact O-N 3.11Å; K13-I16 PolarHBondContact O-N 3.32Å; L14-I16 PolarHBondContact O-N 3.02Å; I16-F19 PolarHBondContact O-N 3.27Å; I16-I20 HydrophobicContact CG2-CD1 3.98Å; I16-I20 WeakPolarHBondContact O-CG1 3.47Å; I16-I20 PolarHBondContact O-N 3.12Å |
| 17 | I | 85.8 | Confident | 76.4 | Confident | 100 Ų | 100 | 106.4 Ų | 106.4 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.9 | -67.3 | 166.3 | 0 | 0 | 0 | 111 | K13 L14 L15 F19 I20 V21 | K13-I17 WeakPolarHBondContact O-CG1 3.42Å; K13-I17 PolarHBondContact O-N 3.5Å; L14-I17 PolarHBondContact O-N 3.28Å; L15-I17 PolarHBondContact O-N 3.37Å; I17-F19 VanDerWaalsContact C-N 3.29Å; I17-F19 PolarHBondContact O-N 2.95Å; I17-I20 PolarHBondContact O-N 2.86Å; I17-V21 HydrophobicContact CG2-CG2 4.4Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 3.42Å |
| 18 | I | 85.3 | Confident | 76.1 | Confident | 91 Ų | 91 | 106.5 Ų | 106.5 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -40.7 | 176.8 | -66.9 | 166.4 | 0 | 0 | 0 | 110.8 | L14 L15 V21 T22 | L14-I18 HydrophobicContact CG-CD1 4.17Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.47Å; L15-I18 PolarHBondContact O-N 3.12Å; I18-V21 PolarHBondContact O-N 2.97Å; I18-T22 HydrophobicContact CG2-CG2 4.39Å; I18-T22 WeakPolarHBondContact O-CB 3.38Å; I18-T22 WeakPolarHBondContact O-CG2 3.48Å; I18-T22 PolarHBondContact O-N 3.03Å; I18-T22 PolarHBondContact O-OG1 3.47Å |
| 19 | F | 85.2 | Confident | 75.8 | Confident | 139 Ų | 139 | 103.6 Ų | 103.6 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -42.2 | 178.2 | -151.9 | -103.2 | 0 | 0 | 0 | 111.8 | L15 I16 I17 T22 L23 | L15-F19 WeakPolarHBondContact O-CB 3.47Å; L15-F19 PolarHBondContact O-N 3.08Å; I16-F19 PolarHBondContact O-N 3.27Å; I17-F19 VanDerWaalsContact C-N 3.29Å; I17-F19 PolarHBondContact O-N 2.95Å; F19-T22 WeakPolarHBondContact CA-OG1 3.49Å; F19-T22 PolarHBondContact O-N 2.92Å; F19-T22 PolarHBondContact O-OG1 2.95Å; F19-L23 HydrophobicContact CD1-CD1 3.45Å; F19-L23 VanDerWaalsContact CD1-CD1 3.45Å; F19-L23 HydrophobicContact CD1-CG 4.35Å; F19-L23 HydrophobicContact CE1-CD1 3.58Å; F19-L23 HydrophobicContact CE1-CG 4.34Å; F19-L23 HydrophobicContact CG-CD1 4.45Å; F19-L23 WeakPolarHBondContact O-CB 3.48Å; F19-L23 WeakPolarHBondContact O-CD1 3.35Å; F19-L23 WeakPolarHBondContact O-CG 3.32Å; F19-L23 PolarHBondContact O-N 2.97Å |
| 20 | I | 85.3 | Confident | 75 | Confident | 86 Ų | 86 | 106.2 Ų | 106.2 | 44% | 0.441 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.3 | -50.1 | 174.2 | -68.7 | 173.8 | 0 | 0 | 0 | 110.3 | I16 I17 T22 L23 W24 | I16-I20 HydrophobicContact CG2-CD1 3.98Å; I16-I20 WeakPolarHBondContact O-CG1 3.47Å; I16-I20 PolarHBondContact O-N 3.12Å; I17-I20 PolarHBondContact O-N 2.86Å; I20-T22 VanDerWaalsContact C-N 3.31Å; I20-T22 PolarHBondContact O-N 3.03Å; I20-L23 PolarHBondContact O-N 3.31Å; I20-W24 PolarHBondContact O-N 3.2Å |
| 21 | V | 82.9 | Confident | 74.1 | Confident | 98 Ų | 98 | 106.5 Ų | 106.5 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.7 | -41.4 | -179.8 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | I17 I18 G25 | I17-V21 HydrophobicContact CG2-CG2 4.4Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 3.42Å; I18-V21 PolarHBondContact O-N 2.97Å; V21-G25 PolarHBondContact O-N 3.07Å |
| 22 | T | 80.2 | Confident | 73.1 | Confident | 64 Ų | 64 | 106.4 Ų | 106.4 | 39% | 0.393 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.1 | -27.2 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | I18 F19 I20 | I18-T22 HydrophobicContact CG2-CG2 4.39Å; I18-T22 WeakPolarHBondContact O-CB 3.38Å; I18-T22 WeakPolarHBondContact O-CG2 3.48Å; I18-T22 PolarHBondContact O-N 3.03Å; I18-T22 PolarHBondContact O-OG1 3.47Å; F19-T22 WeakPolarHBondContact CA-OG1 3.49Å; F19-T22 PolarHBondContact O-N 2.92Å; F19-T22 PolarHBondContact O-OG1 2.95Å; I20-T22 VanDerWaalsContact C-N 3.31Å; I20-T22 PolarHBondContact O-N 3.03Å |
| 23 | L | 76.6 | Confident | 72.2 | Confident | 92 Ų | 92 | 113.5 Ų | 113.5 | 48% | 0.482 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.1 | -48.1 | 171.2 | -85.2 | 160.7 | 0 | 0 | 0 | 111 | F19 I20 G25 K26 V27 | F19-L23 HydrophobicContact CD1-CD1 3.45Å; F19-L23 VanDerWaalsContact CD1-CD1 3.45Å; F19-L23 HydrophobicContact CD1-CG 4.35Å; F19-L23 HydrophobicContact CE1-CD1 3.58Å; F19-L23 HydrophobicContact CE1-CG 4.34Å; F19-L23 HydrophobicContact CG-CD1 4.45Å; F19-L23 WeakPolarHBondContact O-CB 3.48Å; F19-L23 WeakPolarHBondContact O-CD1 3.35Å; F19-L23 WeakPolarHBondContact O-CG 3.32Å; F19-L23 PolarHBondContact O-N 2.97Å; I20-L23 PolarHBondContact O-N 3.31Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.37Å; L23-K26 PolarHBondContact O-N 3.04Å; L23-V27 WeakPolarHBondContact O-CG2 3.39Å |
| 24 | W | 70.1 | Confident | 70.9 | Confident | 196 Ų | 196 | 115.5 Ų | 115.5 | 74% | 0.742 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.3 | -37.1 | 180 | -76.1 | 62.8 | 0 | 0 | 0 | 112.2 | I20 K26 V27 | I20-W24 PolarHBondContact O-N 3.2Å; W24-K26 VanDerWaalsContact C-N 3.28Å; W24-K26 PolarHBondContact O-N 2.95Å; W24-V27 PolarHBondContact O-N 3.4Å |
| 25 | G | 63.6 | Low | 69.7 | Low | 47 Ų | 47 | 119.9 Ų | 119.9 | 49% | 0.485 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.5 | -28.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V21 L23 | V21-G25 PolarHBondContact O-N 3.07Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.37Å |
| 26 | K | 61.7 | Low | 69 | Low | 157 Ų | 157 | 118.8 Ų | 118.8 | 68% | 0.683 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.5 | -22.3 | 179.2 | -72.1 | -169 | -178 | 80 | 0 | 113.8 | L23 W24 V28 | L23-K26 PolarHBondContact O-N 3.04Å; W24-K26 VanDerWaalsContact C-N 3.28Å; W24-K26 PolarHBondContact O-N 2.95Å; K26-V28 VanDerWaalsContact C-N 3.33Å |
| 27 | V | 62.2 | Low | 68.6 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 70% | 0.697 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.3 | -27.6 | -178.3 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | L23 W24 | L23-V27 WeakPolarHBondContact O-CG2 3.39Å; W24-V27 PolarHBondContact O-N 3.4Å |
| 28 | V | 59.8 | Low | 68.7 | Low | 113 Ų | 113 | 121.3 Ų | 121.3 | 69% | 0.685 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -75.7 | -24.3 | -177.2 | 148.3 | 0 | 0 | 0 | 0 | 114 | K26 S30 | K26-V28 VanDerWaalsContact C-N 3.33Å; V28-S30 PolarHBondContact O-N 2.74Å |
| 29 | S | 55.9 | Low | 69 | Low | 102 Ų | 102 | 117.2 Ų | 117.2 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -81.7 | -6.2 | -171.9 | -64.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 30 | S | 53.8 | Low | 69.5 | Low | 111 Ų | 111 | 117.7 Ų | 117.7 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -102.1 | -2.6 | -176.1 | -160.5 | 0 | 0 | 0 | 0 | 115.3 | V28 | V28-S30 PolarHBondContact O-N 2.74Š|
| 31 | A | 55.4 | Low | 70 | Confident | 84 Ų | 84 | 117.2 Ų | 117.2 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -89.1 | -9.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H33 | A31-H33 PolarHBondContact O-N 3.12Š|
| 32 | N | 53.2 | Low | 70.7 | Confident | 129 Ų | 129 | 113.6 Ų | 113.6 | 69% | 0.69 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 97.5 | 179.2 | -72.5 | -48 | 0 | 0 | 0 | 109.2 | ||
| 33 | H | 57.8 | Low | 71.5 | Confident | 179 Ų | 179 | 112.6 Ų | 112.6 | 83% | 0.829 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.9 | 8 | 140.9 | -89.2 | -54 | 0 | 0 | 0 | 115.6 | A31 K35 | A31-H33 PolarHBondContact O-N 3.12Å; H33-K35 PolarHBondContact O-N 2.87Å |
| 34 | H | 56.9 | Low | 72.5 | Confident | 194 Ų | 194 | 109 Ų | 109 | 90% | 0.898 | 59% | 0.594 | S | S | * | * | trans | -96.6 | 50.2 | 168.7 | -62.3 | -67.8 | 0 | 0 | 0 | 112.3 | A36 | H34-A36 PolarHBondContact O-N 3.39Å; H34-A36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | K | 61 | Low | 73.7 | Confident | 199 Ų | 199 | 102.8 Ų | 102.8 | 87% | 0.865 | 57% | 0.574 | S | S | * | * | trans | -69.6 | 109.3 | 159 | -78.6 | -175.3 | -179.2 | 177 | 0 | 106 | H33 H37 | H33-K35 PolarHBondContact O-N 2.87Å; K35-H37 PolarHBondContact O-N 3.41Å | ||
| 36 | A | 70 | Confident | 75.2 | Confident | 96 Ų | 96 | 103.3 Ų | 103.3 | 79% | 0.793 | 57% | 0.567 | S | S | * | * | trans | -54 | 105.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | H34 H38 | H34-A36 PolarHBondContact O-N 3.39Å; H34-A36 VanDerWaalsContact O-N 3.12Å; A36-H38 PolarHBondContact O-N 3.38Å | ||
| 37 | H | 77.7 | Confident | 76.8 | Confident | 102 Ų | 102 | 98.5 Ų | 98.5 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | trans | -68 | 106.1 | 179.6 | -159.2 | -85.9 | 0 | 0 | 0 | 107.6 | K35 E45 K66 | K35-H37 PolarHBondContact O-N 3.41Å; H37-E45 IonicContact CE1-OE2 3.56Å; H37-K66 WeakPolarHBondContact O-CE 3.45Å; H37-K66 PolarHBondContact O-NZ 2.86Å | ||
| 38 | H | 88.2 | Confident | 78.3 | Confident | 154 Ų | 154 | 94.3 Ų | 94.3 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 119.9 | 178 | -172.5 | -72 | 0 | 0 | 0 | 108.5 | A36 | A36-H38 PolarHBondContact O-N 3.38Š|
| 39 | V | 92.5 | Very high | 79.9 | Confident | 4 Ų | 4 | 93.6 Ų | 93.6 | 2% | 0.024 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 142.3 | 176.5 | 174 | 0 | 0 | 0 | 0 | 108.5 | T43 E45 K66 | V39-T43 WeakPolarHBondContact CG1-OG1 3.38Å; V39-E45 HydrophobicContact CG1-CB 4.23Å; V39-E45 HydrophobicContact CG1-CG 3.95Å; V39-E45 HydrophobicContact CG2-CB 4.07Å; V39-E45 HydrophobicContact CG2-CG 4.49Å; V39-K66 HydrophobicContact CB-CG 4.42Å; V39-K66 HydrophobicContact CG2-CB 3.79Å; V39-K66 HydrophobicContact CG2-CD 3.85Å; V39-K66 HydrophobicContact CG2-CG 3.68Å |
| 40 | K | 94.5 | Very high | 81.6 | Confident | 149 Ų | 149 | 93.6 Ų | 93.6 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -61 | 141.3 | 178.4 | -175.6 | -179.6 | 175.5 | -177.7 | 0 | 110.8 | G42 T43 | K40-G42 PolarHBondContact O-N 2.66Å; K40-T43 HydrophobicContact CB-CG2 4.22Å; K40-T43 HydrophobicContact CD-CG2 4.33Å; K40-T43 HydrophobicContact CG-CG2 4.39Å; K40-T43 PolarHBondContact O-N 3.31Å; K40-T43 PolarHBondContact O-OG1 3.01Å |
| 41 | T | 96.4 | Very high | 83.3 | Confident | 76 Ų | 76 | 96.7 Ų | 96.7 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 137.4 | 173.6 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | S68 F70 | T41-S68 CarbonylContact C-O 3.57Å; T41-F70 HydrophobicContact CG2-CD1 4.13Å; T41-F70 HydrophobicContact CG2-CE1 3.68Å; T41-F70 HydrophobicContact CG2-CZ 4.01Å |
| 42 | G | 96.6 | Very high | 84.8 | Confident | 23 Ų | 23 | 95.8 Ų | 95.8 | 24% | 0.237 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 8.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | K40 S68 | K40-G42 PolarHBondContact O-N 2.66Å; G42-S68 CarbonylContact C-O 3.56Å; G42-S68 VanDerWaalsContact CA-O 3.29Å; G42-S68 WeakPolarHBondContact CA-O 3.38Å; G42-S68 PolarHBondContact N-O 2.89Å |
| 43 | T | 97.1 | Very high | 86.3 | Confident | 43 Ų | 43 | 94.2 Ų | 94.2 | 26% | 0.264 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 163.7 | -174.1 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | V39 K40 C67 S68 | V39-T43 WeakPolarHBondContact CG1-OG1 3.38Å; K40-T43 HydrophobicContact CB-CG2 4.22Å; K40-T43 HydrophobicContact CD-CG2 4.33Å; K40-T43 HydrophobicContact CG-CG2 4.39Å; K40-T43 PolarHBondContact O-N 3.31Å; K40-T43 PolarHBondContact O-OG1 3.01Å; T43-C67 CarbonylContact O-C 3.44Å; T43-C67 WeakPolarHBondContact O-CA 3.02Å; T43-S68 PolarHBondContact N-O 3.42Å; T43-S68 PolarHBondContact O-N 3.5Å |
| 44 | C | 97.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 89.1 Ų | 89.1 | 11% | 0.108 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.8 | 168.1 | -66.8 | 0 | 0 | 0 | 0 | 109.5 | V65 K66 C67 P82 S83 | C44-V65 HydrophobicContact CB-CG1 3.84Å; C44-K66 CarbonylContact C-O 3.6Å; C44-K66 WeakPolarHBondContact CA-O 3.33Å; C44-C67 HydrophobicContact CB-CB 4.07Å; C44-C67 WeakPolarHBondContact CB-SG 3.47Å; C44-C67 WeakPolarHBondContact SG-CB 3Å; C44-C67 CovalentContact SG-SG 2.03Å; C44-C67 PolarHBondContact SG-SG 2.85Å; C44-P82 HydrophobicContact CB-CB 3.77Å; C44-P82 HydrophobicContact CB-CG 4.38Å; C44-S83 PolarHBondContact SG-O 3.2Å; C44-S83 VanDerWaalsContact SG-O 3.33Å |
| 45 | E | 96.2 | Very high | 89 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 31% | 0.308 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.5 | -178 | -70 | 171.1 | -158.4 | 0 | 0 | 110.2 | H37 V39 V47 V65 K66 | H37-E45 IonicContact CE1-OE2 3.56Å; V39-E45 HydrophobicContact CG1-CB 4.23Å; V39-E45 HydrophobicContact CG1-CG 3.95Å; V39-E45 HydrophobicContact CG2-CB 4.07Å; V39-E45 HydrophobicContact CG2-CG 4.49Å; E45-V47 PolarHBondContact O-N 3.48Å; E45-V65 CarbonylContact O-C 3.48Å; E45-V65 WeakPolarHBondContact O-CA 3.12Å; E45-K66 PolarHBondContact N-O 3.33Å; E45-K66 PolarHBondContact O-N 2.04Å |
| 46 | V | 95.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 85.6 Ų | 85.6 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 113.8 | 172.6 | -179 | 0 | 0 | 0 | 0 | 108.2 | L49 Q63 T64 V65 P82 | V46-L49 HydrophobicContact CG1-CD2 3.58Å; V46-L49 HydrophobicContact CG1-CG 3.76Å; V46-Q63 HydrophobicContact CG1-CB 4.34Å; V46-T64 CarbonylContact C-O 3.59Å; V46-V65 HydrophobicContact CG2-CG2 4.28Å; V46-P82 HydrophobicContact CG2-CG 4.11Å |
| 47 | V | 94.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 90 Ų | 90 | 34% | 0.339 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -19.4 | -175.9 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | E45 T64 K66 | E45-V47 PolarHBondContact O-N 3.48Å; V47-T64 HydrophobicContact CG2-CG2 3.83Å; V47-T64 WeakPolarHBondContact CG2-O 3.36Å; V47-T64 PolarHBondContact N-O 2.03Å; V47-K66 HydrophobicContact CG1-CB 3.65Å; V47-K66 HydrophobicContact CG2-CB 4.15Å |
| 48 | A | 93.2 | Very high | 91.6 | Very high | 27 Ų | 27 | 89.9 Ų | 89.9 | 22% | 0.223 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 142.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q63 T64 | A48-Q63 WeakPolarHBondContact O-CA 3.21Å; A48-T64 PolarHBondContact N-O 2.87Å; A48-T64 PolarHBondContact O-N 3.39Å |
| 49 | L | 93.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 88.6 Ų | 88.6 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.3 | 175.5 | -73 | 175.3 | 0 | 0 | 0 | 107.8 | V46 Q63 | V46-L49 HydrophobicContact CG1-CD2 3.58Å; V46-L49 HydrophobicContact CG1-CG 3.76Å; L49-Q63 HydrophobicContact CD2-CB 3.99Å; L49-Q63 HydrophobicContact CD2-CG 3.52Å |
| 50 | H | 91.7 | Very high | 91.6 | Very high | 102 Ų | 102 | 93 Ų | 93 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140 | 176.6 | -64.6 | -99.4 | 0 | 0 | 0 | 109.3 | S62 | H50-S62 WeakPolarHBondContact CB-OG 3.45Å; H50-S62 PolarHBondContact N-O 2.91Å; H50-S62 PolarHBondContact O-N 2.85Å |
| 51 | R | 90.2 | Very high | 91.4 | Very high | 176 Ų | 176 | 92.9 Ų | 92.9 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.5 | 168.7 | -67.1 | -176.7 | 175.7 | 102.9 | -3.1 | 106.7 | E59 | R51-E59 WeakPolarHBondContact CD-OE1 3.3Å; R51-E59 IonicContact NE-OE1 3.51Å |
| 52 | C | 85.7 | Confident | 91.2 | Very high | 64 Ų | 64 | 91.9 Ų | 91.9 | 43% | 0.432 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 160.1 | 174.5 | -66 | 0 | 0 | 0 | 0 | 108.7 | E60 | C52-E60 HydrophobicContact CB-CB 4.37Å; C52-E60 PolarHBondContact N-O 2.89Å; C52-E60 PolarHBondContact O-N 3.42Å; C52-E60 VanDerWaalsContact O-O 3.12Å |
| 53 | C | 85.2 | Confident | 91 | Very high | 96 Ų | 96 | 96 Ų | 96 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.9 | 172.3 | -61.9 | 0 | 0 | 0 | 0 | 108.2 | I58 | C53-I58 WeakPolarHBondContact CA-O 3.29Å |
| 54 | N | 83.4 | Confident | 90.9 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 39% | 0.39 | 49% | 0.486 | S | S | . | . | trans | -75.7 | 166.6 | 169.5 | -166.9 | -13 | 0 | 0 | 0 | 109.9 | N56 K57 I58 | N54-N56 PolarHBondContact O-N 3.01Å; N54-K57 PolarHBondContact O-N 3.26Å; N54-I58 PolarHBondContact N-O 3.24Å | ||
| 55 | K | 88.3 | Confident | 90.8 | Very high | 200 Ų | 200 | 99.5 Ų | 99.5 | 87% | 0.87 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -29.8 | 173.1 | -66 | -176.2 | 178.3 | -179.7 | 0 | 113 | K57 | K55-K57 PolarHBondContact O-N 2.94Š|
| 56 | N | 89.7 | Confident | 90.8 | Very high | 118 Ų | 118 | 100.9 Ų | 100.9 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 6.3 | 177.4 | -62 | -25.6 | 0 | 0 | 0 | 114.3 | N54 I58 | N54-N56 PolarHBondContact O-N 3.01Å; N56-I58 HydrophobicContact CB-CD1 3.97Å; N56-I58 HydrophobicContact CB-CG1 4Å; N56-I58 PolarHBondContact O-N 2.81Å; N56-I58 VanDerWaalsContact O-N 3.17Å |
| 57 | K | 85.9 | Confident | 90.9 | Very high | 189 Ų | 189 | 100.1 Ų | 100.1 | 82% | 0.822 | 50% | 0.501 | S | S | * | . | trans | 56.6 | 24.6 | -173.3 | -54.5 | -178.2 | 180 | -179.9 | 0 | 113.9 | N54 K55 | N54-K57 PolarHBondContact O-N 3.26Å; K55-K57 PolarHBondContact O-N 2.94Å | ||
| 58 | I | 86.8 | Confident | 91.1 | Very high | 100 Ų | 100 | 99.3 Ų | 99.3 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | trans | -78.8 | 123.8 | 170.7 | -60.7 | 171.1 | 0 | 0 | 0 | 107.1 | C53 N54 N56 E60 | C53-I58 WeakPolarHBondContact CA-O 3.29Å; N54-I58 PolarHBondContact N-O 3.24Å; N56-I58 HydrophobicContact CB-CD1 3.97Å; N56-I58 HydrophobicContact CB-CG1 4Å; N56-I58 PolarHBondContact O-N 2.81Å; N56-I58 VanDerWaalsContact O-N 3.17Å; I58-E60 PolarHBondContact O-N 2.57Å | ||
| 59 | E | 89.8 | Confident | 91.3 | Very high | 126 Ų | 126 | 99.6 Ų | 99.6 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.5 | 173.9 | -172.3 | -179 | 174.6 | 0 | 0 | 109.3 | R51 | R51-E59 WeakPolarHBondContact CD-OE1 3.3Å; R51-E59 IonicContact NE-OE1 3.51Å |
| 60 | E | 90.8 | Very high | 91.5 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.4 | 173.1 | -68.8 | 179 | -173 | 0 | 0 | 108.6 | C52 I58 | C52-E60 HydrophobicContact CB-CB 4.37Å; C52-E60 PolarHBondContact N-O 2.89Å; C52-E60 PolarHBondContact O-N 3.42Å; C52-E60 VanDerWaalsContact O-O 3.12Å; I58-E60 PolarHBondContact O-N 2.57Å |
| 61 | R | 91.7 | Very high | 91.8 | Very high | 145 Ų | 145 | 101.6 Ų | 101.6 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.3 | 178.1 | -173.3 | 176.3 | 179.2 | 177.7 | -2 | 109.6 | ||
| 62 | S | 91.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 95.8 Ų | 95.8 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.5 | 172.4 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | H50 | H50-S62 WeakPolarHBondContact CB-OG 3.45Å; H50-S62 PolarHBondContact N-O 2.91Å; H50-S62 PolarHBondContact O-N 2.85Å |
| 63 | Q | 92.8 | Very high | 92.8 | Very high | 108 Ų | 108 | 96.2 Ų | 96.2 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.7 | 179.1 | -49.6 | -169.1 | 61.4 | 0 | 0 | 107.1 | V46 A48 L49 | V46-Q63 HydrophobicContact CG1-CB 4.34Å; A48-Q63 WeakPolarHBondContact O-CA 3.21Å; L49-Q63 HydrophobicContact CD2-CB 3.99Å; L49-Q63 HydrophobicContact CD2-CG 3.52Å |
| 64 | T | 94.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 94.3 Ų | 94.3 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.3 | 170.1 | -54.8 | 0 | 0 | 0 | 0 | 107.8 | V46 V47 A48 | V46-T64 CarbonylContact C-O 3.59Å; V47-T64 HydrophobicContact CG2-CG2 3.83Å; V47-T64 WeakPolarHBondContact CG2-O 3.36Å; V47-T64 PolarHBondContact N-O 2.03Å; A48-T64 PolarHBondContact N-O 2.87Å; A48-T64 PolarHBondContact O-N 3.39Å |
| 65 | V | 95.5 | Very high | 94.1 | Very high | 62 Ų | 62 | 93.9 Ų | 93.9 | 38% | 0.376 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.3 | 179.9 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | C44 E45 V46 P82 | C44-V65 HydrophobicContact CB-CG1 3.84Å; E45-V65 CarbonylContact O-C 3.48Å; E45-V65 WeakPolarHBondContact O-CA 3.12Å; V46-V65 HydrophobicContact CG2-CG2 4.28Å; V65-P82 HydrophobicContact CB-CB 4.43Å; V65-P82 HydrophobicContact CG1-CB 3.61Å; V65-P82 HydrophobicContact CG1-CG 4.18Å; V65-P82 HydrophobicContact CG2-CB 3.94Å; V65-P82 HydrophobicContact CG2-CG 4.16Å |
| 66 | K | 96.6 | Very high | 94.5 | Very high | 95 Ų | 95 | 85.1 Ų | 85.1 | 41% | 0.413 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131 | 167.1 | -178.4 | 171.8 | 178.3 | 177.4 | 0 | 108.6 | H37 V39 C44 E45 V47 | H37-K66 WeakPolarHBondContact O-CE 3.45Å; H37-K66 PolarHBondContact O-NZ 2.86Å; V39-K66 HydrophobicContact CB-CG 4.42Å; V39-K66 HydrophobicContact CG2-CB 3.79Å; V39-K66 HydrophobicContact CG2-CD 3.85Å; V39-K66 HydrophobicContact CG2-CG 3.68Å; C44-K66 CarbonylContact C-O 3.6Å; C44-K66 WeakPolarHBondContact CA-O 3.33Å; E45-K66 PolarHBondContact N-O 3.33Å; E45-K66 PolarHBondContact O-N 2.04Å; V47-K66 HydrophobicContact CG1-CB 3.65Å; V47-K66 HydrophobicContact CG2-CB 4.15Å |
| 67 | C | 97.3 | Very high | 94.9 | Very high | 41 Ų | 41 | 81.1 Ų | 81.1 | 28% | 0.277 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.4 | -179.7 | -63.9 | 0 | 0 | 0 | 0 | 111 | T43 C44 A75 | T43-C67 CarbonylContact O-C 3.44Å; T43-C67 WeakPolarHBondContact O-CA 3.02Å; C44-C67 HydrophobicContact CB-CB 4.07Å; C44-C67 WeakPolarHBondContact CB-SG 3.47Å; C44-C67 WeakPolarHBondContact SG-CB 3Å; C44-C67 CovalentContact SG-SG 2.03Å; C44-C67 PolarHBondContact SG-SG 2.85Å; C67-A75 HydrophobicContact CB-CB 4.17Å; C67-A75 WeakPolarHBondContact SG-CB 3.01Å |
| 68 | S | 97.5 | Very high | 95.5 | Very high | 40 Ų | 40 | 74.4 Ų | 74.4 | 28% | 0.28 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 89.8 | 167.4 | -177 | 0 | 0 | 0 | 0 | 106.9 | T41 G42 T43 | T41-S68 CarbonylContact C-O 3.57Å; G42-S68 CarbonylContact C-O 3.56Å; G42-S68 VanDerWaalsContact CA-O 3.29Å; G42-S68 WeakPolarHBondContact CA-O 3.38Å; G42-S68 PolarHBondContact N-O 2.89Å; T43-S68 PolarHBondContact N-O 3.42Å; T43-S68 PolarHBondContact O-N 3.5Å |
| 69 | C | 98.2 | Very high | 96 | Very high | 33 Ų | 33 | 74.2 Ų | 74.2 | 22% | 0.223 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 155.8 | -175.4 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | Q73 C84 | C69-Q73 HydrophobicContact CB-CB 3.84Å; C69-C84 WeakPolarHBondContact CA-SG 3.02Å; C69-C84 HydrophobicContact CB-CB 3.71Å; C69-C84 WeakPolarHBondContact CB-SG 3.37Å; C69-C84 VanDerWaalsContact SG-CA 3.52Å; C69-C84 WeakPolarHBondContact SG-CB 3.35Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.17Å |
| 70 | F | 98.2 | Very high | 96.3 | Very high | 111 Ų | 111 | 71.2 Ų | 71.2 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 158.4 | 173.4 | -66.5 | -75.4 | 0 | 0 | 0 | 110.9 | T41 G72 Q73 | T41-F70 HydrophobicContact CG2-CD1 4.13Å; T41-F70 HydrophobicContact CG2-CE1 3.68Å; T41-F70 HydrophobicContact CG2-CZ 4.01Å; F70-G72 PolarHBondContact O-N 2.91Å; F70-Q73 WeakPolarHBondContact O-CB 3.39Å; F70-Q73 PolarHBondContact O-N 3.11Å |
| 71 | P | 98.2 | Very high | 96.6 | Very high | 132 Ų | 132 | 68.8 Ų | 68.8 | 86% | 0.857 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 135.9 | 171.3 | -26.6 | 35.4 | 0 | 0 | 0 | 111.9 | Q73 | P71-Q73 VanDerWaalsContact C-N 3.29Š|
| 72 | G | 98.2 | Very high | 96.9 | Very high | 53 Ų | 53 | 63.9 Ų | 63.9 | 55% | 0.546 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -4.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F70 A87 | F70-G72 PolarHBondContact O-N 2.91Å; G72-A87 WeakPolarHBondContact O-CB 3.49Å; G72-A87 PolarHBondContact O-N 2.87Å |
| 73 | Q | 98.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 151.3 | 174 | -64.7 | -177.2 | -27.2 | 0 | 0 | 112.2 | C69 F70 P71 C84 V85 | C69-Q73 HydrophobicContact CB-CB 3.84Å; F70-Q73 WeakPolarHBondContact O-CB 3.39Å; F70-Q73 PolarHBondContact O-N 3.11Å; P71-Q73 VanDerWaalsContact C-N 3.29Å; Q73-C84 HydrophobicContact CB-CB 4.29Å; Q73-V85 CarbonylContact C-O 3.48Å; Q73-V85 WeakPolarHBondContact CA-O 3.41Å; Q73-V85 WeakPolarHBondContact CB-O 3.48Å |
| 74 | V | 97.8 | Very high | 97.5 | Very high | 55 Ų | 55 | 58 Ų | 58 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 166.3 | 178 | -62 | 0 | 0 | 0 | 0 | 110.7 | G76 C84 V85 A87 V90 | V74-G76 PolarHBondContact O-N 3.03Å; V74-C84 WeakPolarHBondContact O-CA 3.25Å; V74-V85 HydrophobicContact CG2-CG2 4.11Å; V74-V85 PolarHBondContact N-O 3.09Å; V74-V85 PolarHBondContact O-N 3.23Å; V74-A87 HydrophobicContact CG1-CB 4Å; V74-V90 HydrophobicContact CG2-CB 4.12Å; V74-V90 HydrophobicContact CG2-CG2 3.59Å |
| 75 | A | 97.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 55.1 Ų | 55.1 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 129.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | C67 | C67-A75 HydrophobicContact CB-CB 4.17Å; C67-A75 WeakPolarHBondContact SG-CB 3.01Å |
| 76 | G | 97.3 | Very high | 97.8 | Very high | 16 Ų | 16 | 56 Ų | 56 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | -156.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V74 S83 | V74-G76 PolarHBondContact O-N 3.03Å; G76-S83 CarbonylContact C-O 3.59Å; G76-S83 PolarHBondContact N-O 3.43Å; G76-S83 PolarHBondContact O-N 3.08Å; G76-S83 VanDerWaalsContact O-N 3.08Å |
| 77 | T | 97.5 | Very high | 97.9 | Very high | 35 Ų | 35 | 52.1 Ų | 52.1 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.9 | -179.8 | -60 | 0 | 0 | 0 | 0 | 110.4 | A81 M98 P100 | T77-A81 VanDerWaalsContact CA-O 3.3Å; T77-A81 WeakPolarHBondContact CA-O 3.38Å; T77-A81 WeakPolarHBondContact CG2-O 3.43Å; T77-M98 WeakPolarHBondContact O-CG 3.35Å; T77-M98 VanDerWaalsContact O-SD 3.34Å; T77-P100 HydrophobicContact CG2-CB 4.17Å; T77-P100 WeakPolarHBondContact O-CA 3.32Å |
| 78 | T | 98.2 | Very high | 97.9 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 29% | 0.288 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128.7 | 175 | -59 | 0 | 0 | 0 | 0 | 107.7 | A80 A81 S83 M98 | T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 2.83Å; T78-A81 PolarHBondContact N-O 3.12Å; T78-A81 PolarHBondContact O-N 3.08Å; T78-S83 VanDerWaalsContact CB-OG 3.31Å; T78-S83 WeakPolarHBondContact CB-OG 3.39Å; T78-S83 PolarHBondContact N-OG 3.34Å; T78-S83 VanDerWaalsContact N-OG 3.08Å; T78-S83 PolarHBondContact OG1-OG 3.29Å; T78-M98 PolarHBondContact OG1-O 2.83Å; T78-M98 VanDerWaalsContact OG1-O 3.08Å |
| 79 | R | 97.8 | Very high | 98 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 49.8 | -178.4 | -55.2 | -51 | -162.1 | 133.6 | 24.4 | 113.9 | A81 Q99 C101 E103 | R79-A81 PolarHBondContact O-N 2.81Å; R79-A81 VanDerWaalsContact O-N 3.12Å; R79-Q99 PolarHBondContact N-O 3.06Å; R79-C101 VanDerWaalsContact CD-O 3.24Å; R79-C101 WeakPolarHBondContact CD-O 3.46Å; R79-E103 IonicContact CZ-OE1 3.71Å; R79-E103 IonicContact NH1-OE1 3.96Å; R79-E103 IonicContact NH2-OE1 2.99Å; R79-E103 PolarHBondContact NH2-OE1 2.79Å |
| 80 | A | 96.2 | Very high | 97.9 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 51% | 0.512 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T78 P100 L102 | T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 2.83Å; A80-P100 WeakPolarHBondContact CA-O 3.19Å; A80-P100 PolarHBondContact N-O 3.31Å; A80-L102 HydrophobicContact CB-CD2 3.89Å; A80-L102 HydrophobicContact CB-CG 3.92Å |
| 81 | A | 97.2 | Very high | 97.9 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T77 T78 R79 S83 | T77-A81 VanDerWaalsContact CA-O 3.3Å; T77-A81 WeakPolarHBondContact CA-O 3.38Å; T77-A81 WeakPolarHBondContact CG2-O 3.43Å; T78-A81 PolarHBondContact N-O 3.12Å; T78-A81 PolarHBondContact O-N 3.08Å; R79-A81 PolarHBondContact O-N 2.81Å; R79-A81 VanDerWaalsContact O-N 3.12Å; A81-S83 PolarHBondContact O-N 3.48Å |
| 82 | P | 97.8 | Very high | 97.9 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135.6 | 174.6 | 29.4 | -35 | 0 | 0 | 0 | 110.2 | C44 V46 V65 | C44-P82 HydrophobicContact CB-CB 3.77Å; C44-P82 HydrophobicContact CB-CG 4.38Å; V46-P82 HydrophobicContact CG2-CG 4.11Å; V65-P82 HydrophobicContact CB-CB 4.43Å; V65-P82 HydrophobicContact CG1-CB 3.61Å; V65-P82 HydrophobicContact CG1-CG 4.18Å; V65-P82 HydrophobicContact CG2-CB 3.94Å; V65-P82 HydrophobicContact CG2-CG 4.16Å |
| 83 | S | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 163.5 | -175.5 | 61 | 0 | 0 | 0 | 0 | 111.4 | C44 G76 T78 A81 V85 | C44-S83 PolarHBondContact SG-O 3.2Å; C44-S83 VanDerWaalsContact SG-O 3.33Å; G76-S83 CarbonylContact C-O 3.59Å; G76-S83 PolarHBondContact N-O 3.43Å; G76-S83 PolarHBondContact O-N 3.08Å; G76-S83 VanDerWaalsContact O-N 3.08Å; T78-S83 VanDerWaalsContact CB-OG 3.31Å; T78-S83 WeakPolarHBondContact CB-OG 3.39Å; T78-S83 PolarHBondContact N-OG 3.34Å; T78-S83 VanDerWaalsContact N-OG 3.08Å; T78-S83 PolarHBondContact OG1-OG 3.29Å; A81-S83 PolarHBondContact O-N 3.48Å; S83-V85 WeakPolarHBondContact OG-CG1 3.31Å |
| 84 | C | 98.6 | Very high | 97.8 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 14% | 0.142 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.5 | 164.7 | -65.9 | 0 | 0 | 0 | 0 | 108.9 | C69 Q73 V74 | C69-C84 WeakPolarHBondContact CA-SG 3.02Å; C69-C84 HydrophobicContact CB-CB 3.71Å; C69-C84 WeakPolarHBondContact CB-SG 3.37Å; C69-C84 VanDerWaalsContact SG-CA 3.52Å; C69-C84 WeakPolarHBondContact SG-CB 3.35Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.17Å; Q73-C84 HydrophobicContact CB-CB 4.29Å; V74-C84 WeakPolarHBondContact O-CA 3.25Å |
| 85 | V | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 159.3 | -179.2 | -56 | 0 | 0 | 0 | 0 | 109.5 | Q73 V74 S83 A87 V90 M98 | Q73-V85 CarbonylContact C-O 3.48Å; Q73-V85 WeakPolarHBondContact CA-O 3.41Å; Q73-V85 WeakPolarHBondContact CB-O 3.48Å; V74-V85 HydrophobicContact CG2-CG2 4.11Å; V74-V85 PolarHBondContact N-O 3.09Å; V74-V85 PolarHBondContact O-N 3.23Å; S83-V85 WeakPolarHBondContact OG-CG1 3.31Å; V85-A87 PolarHBondContact O-N 3.38Å; V85-V90 HydrophobicContact CG2-CG2 4.01Å; V85-M98 HydrophobicContact CB-CB 4.17Å; V85-M98 HydrophobicContact CG1-CB 3.71Å; V85-M98 HydrophobicContact CG1-SD 4.27Å; V85-M98 HydrophobicContact CG2-SD 4.44Å |
| 86 | D | 98.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 51.9 Ų | 51.9 | 43% | 0.428 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 132.7 | 175.2 | -168 | -62.4 | 0 | 0 | 0 | 110.9 | S88 I89 | D86-S88 PolarHBondContact O-N 2.9Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 3.28Å; D86-S88 PolarHBondContact OD1-OG 2.79Å; D86-I89 HydrophobicContact CB-CD1 4.02Å; D86-I89 HydrophobicContact CB-CG1 4.17Å; D86-I89 WeakPolarHBondContact O-CB 3.46Å; D86-I89 PolarHBondContact O-N 3.07Å; D86-I89 VanDerWaalsContact O-N 3.12Å |
| 87 | A | 98.3 | Very high | 98 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57 | -36 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | G72 V74 V85 I89 V90 E91 | G72-A87 WeakPolarHBondContact O-CB 3.49Å; G72-A87 PolarHBondContact O-N 2.87Å; V74-A87 HydrophobicContact CG1-CB 4Å; V85-A87 PolarHBondContact O-N 3.38Å; A87-I89 PolarHBondContact O-N 2.81Å; A87-V90 PolarHBondContact O-N 2.83Å; A87-E91 WeakPolarHBondContact O-CG 3.36Å; A87-E91 PolarHBondContact O-N 3.08Å |
| 88 | S | 98.4 | Very high | 98 | Very high | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -31.5 | 179.5 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | D86 V90 Q92 | D86-S88 PolarHBondContact O-N 2.9Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 3.28Å; D86-S88 PolarHBondContact OD1-OG 2.79Å; S88-V90 VanDerWaalsContact C-N 3.3Å; S88-V90 PolarHBondContact O-N 3.47Å; S88-Q92 WeakPolarHBondContact O-CB 3.03Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.48Å; S88-Q92 PolarHBondContact O-N 2.82Å |
| 89 | I | 98.3 | Very high | 98 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -42.6 | 176.3 | -64.7 | 171.4 | 0 | 0 | 0 | 110.2 | D86 A87 K93 W94 H97 M98 | D86-I89 HydrophobicContact CB-CD1 4.02Å; D86-I89 HydrophobicContact CB-CG1 4.17Å; D86-I89 WeakPolarHBondContact O-CB 3.46Å; D86-I89 PolarHBondContact O-N 3.07Å; D86-I89 VanDerWaalsContact O-N 3.12Å; A87-I89 PolarHBondContact O-N 2.81Å; I89-K93 CarbonylContact O-C 3.58Å; I89-K93 WeakPolarHBondContact O-CA 3.34Å; I89-K93 PolarHBondContact O-N 3.04Å; I89-W94 HydrophobicContact CG2-CB 4.42Å; I89-W94 WeakPolarHBondContact CG2-O 3.34Å; I89-W94 PolarHBondContact O-N 3.32Å; I89-H97 HydrophobicContact CD1-CB 4.27Å; I89-H97 HydrophobicContact CG1-CB 4.2Å; I89-H97 HydrophobicContact CG2-CB 4.34Å; I89-M98 HydrophobicContact CD1-CB 4.23Å; I89-M98 HydrophobicContact CG2-CB 4.09Å; I89-M98 HydrophobicContact CG2-CG 4.2Å |
| 90 | V | 97.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.1 | -45.9 | -178.8 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | V74 V85 A87 S88 Q92 K93 W95 | V74-V90 HydrophobicContact CG2-CB 4.12Å; V74-V90 HydrophobicContact CG2-CG2 3.59Å; V85-V90 HydrophobicContact CG2-CG2 4.01Å; A87-V90 PolarHBondContact O-N 2.83Å; S88-V90 VanDerWaalsContact C-N 3.3Å; S88-V90 PolarHBondContact O-N 3.47Å; V90-Q92 PolarHBondContact O-N 3.25Å; V90-K93 PolarHBondContact O-N 3.49Å; V90-K93 VanDerWaalsContact O-N 3.11Å; V90-W95 HydrophobicContact CB-CZ3 4.19Å; V90-W95 HydrophobicContact CG1-CH2 3.91Å; V90-W95 HydrophobicContact CG1-CZ3 3.88Å; V90-W95 HydrophobicContact CG2-CZ3 4.1Å |
| 91 | E | 96.9 | Very high | 98.2 | Very high | 137 Ų | 137 | 52.2 Ų | 52.2 | 64% | 0.64 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 179.9 | -70.4 | 173.1 | -179.3 | 0 | 0 | 112.3 | A87 K93 | A87-E91 WeakPolarHBondContact O-CG 3.36Å; A87-E91 PolarHBondContact O-N 3.08Å; E91-K93 PolarHBondContact O-N 2.95Å |
| 92 | Q | 97.9 | Very high | 98.2 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.6 | 177.8 | -56.9 | -57.7 | -43.2 | 0 | 0 | 112.8 | S88 V90 W94 | S88-Q92 WeakPolarHBondContact O-CB 3.03Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.48Å; S88-Q92 PolarHBondContact O-N 2.82Å; V90-Q92 PolarHBondContact O-N 3.25Å; Q92-W94 HydrophobicContact CB-CD2 3.71Å; Q92-W94 HydrophobicContact CB-CE3 4.23Å; Q92-W94 HydrophobicContact CB-CG 3.91Å; Q92-W94 HydrophobicContact CB-CZ2 4.14Å; Q92-W94 HydrophobicContact CG-CZ2 4.36Å; Q92-W94 PolarHBondContact O-N 3.12Å |
| 93 | K | 97.8 | Very high | 98.2 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.1 | -180 | -55.7 | 174.8 | 179.2 | 178.9 | 0 | 112.4 | I89 V90 E91 W95 R113 | I89-K93 CarbonylContact O-C 3.58Å; I89-K93 WeakPolarHBondContact O-CA 3.34Å; I89-K93 PolarHBondContact O-N 3.04Å; V90-K93 PolarHBondContact O-N 3.49Å; V90-K93 VanDerWaalsContact O-N 3.11Å; E91-K93 PolarHBondContact O-N 2.95Å; K93-W95 HydrophobicContact CB-CZ2 4.08Å; K93-W95 HydrophobicContact CG-CZ2 3.95Å; K93-W95 VanDerWaalsContact O-CD1 3.29Å; K93-W95 PolarHBondContact O-N 2.84Å; K93-W95 VanDerWaalsContact O-N 3.09Å; K93-R113 HydrophobicContact CB-CB 4.21Å; K93-R113 HydrophobicContact CD-CB 3.81Å |
| 94 | W | 98.1 | Very high | 98.1 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 47% | 0.473 | 33% | 0.325 | S | S | . | . | trans | -84.7 | 44.7 | 178.6 | -71.7 | -6.9 | 0 | 0 | 0 | 111.4 | I89 Q92 C96 H97 | I89-W94 HydrophobicContact CG2-CB 4.42Å; I89-W94 WeakPolarHBondContact CG2-O 3.34Å; I89-W94 PolarHBondContact O-N 3.32Å; Q92-W94 HydrophobicContact CB-CD2 3.71Å; Q92-W94 HydrophobicContact CB-CE3 4.23Å; Q92-W94 HydrophobicContact CB-CG 3.91Å; Q92-W94 HydrophobicContact CB-CZ2 4.14Å; Q92-W94 HydrophobicContact CG-CZ2 4.36Å; Q92-W94 PolarHBondContact O-N 3.12Å; W94-C96 PolarHBondContact O-N 2.84Å; W94-H97 HydrophobicContact CB-CB 4.35Å; W94-H97 VanDerWaalsContact O-CB 3.32Å; W94-H97 WeakPolarHBondContact O-CB 3.42Å; W94-H97 PolarHBondContact O-N 2.99Å; W94-H97 PolarHBondContact O-ND1 3.15Å | ||
| 95 | W | 98.5 | Very high | 98.1 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -48.8 | -31 | -166.2 | -51.2 | 112.8 | 0 | 0 | 0 | 115.8 | V90 K93 H97 M98 P100 V109 R113 W116 V129 | V90-W95 HydrophobicContact CB-CZ3 4.19Å; V90-W95 HydrophobicContact CG1-CH2 3.91Å; V90-W95 HydrophobicContact CG1-CZ3 3.88Å; V90-W95 HydrophobicContact CG2-CZ3 4.1Å; K93-W95 HydrophobicContact CB-CZ2 4.08Å; K93-W95 HydrophobicContact CG-CZ2 3.95Å; K93-W95 VanDerWaalsContact O-CD1 3.29Å; K93-W95 PolarHBondContact O-N 2.84Å; K93-W95 VanDerWaalsContact O-N 3.09Å; W95-H97 VanDerWaalsContact C-N 3.33Å; W95-H97 PolarHBondContact O-N 3.41Å; W95-M98 HydrophobicContact CB-CE 4.31Å; W95-M98 HydrophobicContact CE3-CE 4.02Å; W95-M98 WeakPolarHBondContact O-CG 3.3Å; W95-P100 WeakPolarHBondContact O-CD 3.42Å; W95-V109 HydrophobicContact CB-CG2 4.3Å; W95-R113 PolarHBondContact NE1-O 2.96Å; W95-W116 HydrophobicContact CB-CB 3.94Å; W95-W116 HydrophobicContact CB-CD2 4.28Å; W95-W116 HydrophobicContact CB-CE3 3.83Å; W95-W116 HydrophobicContact CB-CG 4.36Å; W95-W116 HydrophobicContact CD2-CE3 4.15Å; W95-W116 HydrophobicContact CD2-CZ3 4.43Å; W95-W116 HydrophobicContact CE3-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CZ3 4.1Å; W95-W116 AromaticContact CG-CE3 4Å; W95-W116 HydrophobicContact CG-CE3 4Å; W95-V129 HydrophobicContact CH2-CG2 4.08Å; W95-V129 HydrophobicContact CZ2-CG2 4.35Å; W95-V129 HydrophobicContact CZ3-CG2 4.38Å |
| 96 | C | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -76.1 | -16.6 | 178.1 | -66.3 | 0 | 0 | 0 | 0 | 114.6 | W94 M98 Q99 C107 | W94-C96 PolarHBondContact O-N 2.84Å; C96-M98 VanDerWaalsContact C-N 3.31Å; C96-M98 PolarHBondContact O-N 3.41Å; C96-Q99 PolarHBondContact O-N 2.79Å; C96-C107 WeakPolarHBondContact CA-SG 3.37Å; C96-C107 HydrophobicContact CB-CB 3.76Å; C96-C107 WeakPolarHBondContact CB-SG 2.99Å; C96-C107 WeakPolarHBondContact SG-CB 3.02Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.22Å |
| 97 | H | 98.5 | Very high | 98.1 | Very high | 131 Ų | 131 | 65.1 Ų | 65.1 | 61% | 0.606 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -70.2 | -26.7 | 176.9 | -72 | 70 | 0 | 0 | 0 | 112.4 | I89 W94 W95 Q99 | I89-H97 HydrophobicContact CD1-CB 4.27Å; I89-H97 HydrophobicContact CG1-CB 4.2Å; I89-H97 HydrophobicContact CG2-CB 4.34Å; W94-H97 HydrophobicContact CB-CB 4.35Å; W94-H97 VanDerWaalsContact O-CB 3.32Å; W94-H97 WeakPolarHBondContact O-CB 3.42Å; W94-H97 PolarHBondContact O-N 2.99Å; W94-H97 PolarHBondContact O-ND1 3.15Å; W95-H97 VanDerWaalsContact C-N 3.33Å; W95-H97 PolarHBondContact O-N 3.41Å; H97-Q99 PolarHBondContact O-N 2.93Å |
| 98 | M | 98.2 | Very high | 98.1 | Very high | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.039 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -75.9 | 0.5 | 170.7 | 58.6 | 175.4 | -178.1 | 0 | 0 | 113.6 | T77 T78 V85 I89 W95 C96 P100 W116 | T77-M98 WeakPolarHBondContact O-CG 3.35Å; T77-M98 VanDerWaalsContact O-SD 3.34Å; T78-M98 PolarHBondContact OG1-O 2.83Å; T78-M98 VanDerWaalsContact OG1-O 3.08Å; V85-M98 HydrophobicContact CB-CB 4.17Å; V85-M98 HydrophobicContact CG1-CB 3.71Å; V85-M98 HydrophobicContact CG1-SD 4.27Å; V85-M98 HydrophobicContact CG2-SD 4.44Å; I89-M98 HydrophobicContact CD1-CB 4.23Å; I89-M98 HydrophobicContact CG2-CB 4.09Å; I89-M98 HydrophobicContact CG2-CG 4.2Å; W95-M98 HydrophobicContact CB-CE 4.31Å; W95-M98 HydrophobicContact CE3-CE 4.02Å; W95-M98 WeakPolarHBondContact O-CG 3.3Å; C96-M98 VanDerWaalsContact C-N 3.31Å; C96-M98 PolarHBondContact O-N 3.41Å; M98-P100 HydrophobicContact CE-CB 3.98Å; M98-P100 HydrophobicContact CE-CG 4.26Å; M98-P100 HydrophobicContact CG-CB 4.41Å; M98-W116 HydrophobicContact CE-CD2 4.07Å; M98-W116 HydrophobicContact CE-CE3 3.72Å; M98-W116 HydrophobicContact CE-CH2 3.43Å; M98-W116 VanDerWaalsContact CE-CH2 3.43Å; M98-W116 HydrophobicContact CE-CZ2 3.78Å; M98-W116 HydrophobicContact CE-CZ3 3.42Å; M98-W116 VanDerWaalsContact CE-CZ3 3.42Å |
| 99 | Q | 98.6 | Very high | 98.1 | Very high | 116 Ų | 116 | 69.9 Ų | 69.9 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | trans | 50.3 | 59.8 | -178.4 | -58.8 | -179.9 | -50.8 | 0 | 0 | 112.5 | R79 C96 H97 C101 | R79-Q99 PolarHBondContact N-O 3.06Å; C96-Q99 PolarHBondContact O-N 2.79Å; H97-Q99 PolarHBondContact O-N 2.93Å; Q99-C101 PolarHBondContact O-N 2.92Å | ||
| 100 | P | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.019 | 36% | 0.355 | C | S | . | . | trans | -74.2 | -14.4 | -170.6 | 31.6 | -36.3 | 0 | 0 | 0 | 113.7 | T77 A80 W95 M98 W116 | T77-P100 HydrophobicContact CG2-CB 4.17Å; T77-P100 WeakPolarHBondContact O-CA 3.32Å; A80-P100 WeakPolarHBondContact CA-O 3.19Å; A80-P100 PolarHBondContact N-O 3.31Å; W95-P100 WeakPolarHBondContact O-CD 3.42Å; M98-P100 HydrophobicContact CE-CB 3.98Å; M98-P100 HydrophobicContact CE-CG 4.26Å; M98-P100 HydrophobicContact CG-CB 4.41Å; P100-W116 HydrophobicContact CB-CD2 4.36Å; P100-W116 HydrophobicContact CB-CZ2 3.92Å; P100-W116 VanDerWaalsContact CB-NE1 3.34Å; P100-W116 VanDerWaalsContact CG-CD1 3.43Å; P100-W116 HydrophobicContact CG-CD2 4.13Å; P100-W116 HydrophobicContact CG-CG 3.9Å | ||
| 101 | C | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 74.4 Ų | 74.4 | 4% | 0.041 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -91.1 | 158.6 | -176.2 | -50.8 | 0 | 0 | 0 | 0 | 112.5 | R79 Q99 E105 C107 C118 | R79-C101 VanDerWaalsContact CD-O 3.24Å; R79-C101 WeakPolarHBondContact CD-O 3.46Å; Q99-C101 PolarHBondContact O-N 2.92Å; C101-E105 HydrophobicContact CB-CB 3.67Å; C101-C107 VanDerWaalsContact SG-CB 3.54Å; C101-C118 WeakPolarHBondContact CA-SG 3.45Å; C101-C118 HydrophobicContact CB-CB 3.65Å; C101-C118 WeakPolarHBondContact CB-SG 3.33Å; C101-C118 WeakPolarHBondContact SG-CA 3.41Å; C101-C118 WeakPolarHBondContact SG-CB 3.17Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 3Å |
| 102 | L | 98.2 | Very high | 98.2 | Very high | 79 Ų | 79 | 71.7 Ų | 71.7 | 41% | 0.414 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 168.9 | 172.6 | -67.8 | 171 | 0 | 0 | 0 | 111.2 | A80 G104 E105 | A80-L102 HydrophobicContact CB-CD2 3.89Å; A80-L102 HydrophobicContact CB-CG 3.92Å; L102-G104 PolarHBondContact O-N 2.81Å; L102-E105 HydrophobicContact CB-CG 4.31Å; L102-E105 PolarHBondContact N-OE2 2.93Å; L102-E105 PolarHBondContact O-N 2.05Å |
| 103 | E | 96.8 | Very high | 98.1 | Very high | 158 Ų | 158 | 74.2 Ų | 74.2 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 135 | 171.1 | -71.1 | -177.3 | 172.9 | 0 | 0 | 111.1 | R79 E105 | R79-E103 IonicContact CZ-OE1 3.71Å; R79-E103 IonicContact NH1-OE1 3.96Å; R79-E103 IonicContact NH2-OE1 2.99Å; R79-E103 PolarHBondContact NH2-OE1 2.79Å; E103-E105 VanDerWaalsContact C-N 3.27Å; E103-E105 PolarHBondContact O-N 2.03Å |
| 104 | G | 96.8 | Very high | 98.1 | Very high | 77 Ų | 77 | 75.2 Ų | 75.2 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 0.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L102 | L102-G104 PolarHBondContact O-N 2.81Š|
| 105 | E | 98.4 | Very high | 98.1 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -92 | 137.8 | 169.7 | -72.6 | 179 | 160.5 | 0 | 0 | 110.8 | C101 L102 E103 C118 S119 K125 | C101-E105 HydrophobicContact CB-CB 3.67Å; L102-E105 HydrophobicContact CB-CG 4.31Å; L102-E105 PolarHBondContact N-OE2 2.93Å; L102-E105 PolarHBondContact O-N 2.05Å; E103-E105 VanDerWaalsContact C-N 3.27Å; E103-E105 PolarHBondContact O-N 2.03Å; E105-C118 HydrophobicContact CB-CB 4.33Å; E105-C118 WeakPolarHBondContact OE2-CB 3.42Å; E105-S119 CarbonylContact C-O 3.55Å; E105-S119 WeakPolarHBondContact CA-O 3.35Å; E105-K125 IonicContact OE1-NZ 3.14Å; E105-K125 PolarHBondContact OE1-NZ 3.45Å |
| 106 | E | 98.4 | Very high | 98.1 | Very high | 106 Ų | 106 | 69.7 Ų | 69.7 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.5 | 172 | -172 | -171.1 | -174 | 0 | 0 | 109.7 | K108 C118 S119 | E106-K108 VanDerWaalsContact CD-NZ 3.3Å; E106-K108 WeakPolarHBondContact OE1-CE 3.36Å; E106-K108 IonicContact OE1-NZ 2.87Å; E106-K108 PolarHBondContact OE1-NZ 3.17Å; E106-K108 VanDerWaalsContact OE1-NZ 3.14Å; E106-K108 WeakPolarHBondContact OE2-CE 3.46Å; E106-K108 IonicContact OE2-NZ 2.78Å; E106-K108 PolarHBondContact OE2-NZ 2.8Å; E106-C118 WeakPolarHBondContact O-CA 3.02Å; E106-S119 PolarHBondContact N-O 2.86Å; E106-S119 PolarHBondContact O-N 3.22Å; E106-S119 PolarHBondContact O-OG 3.47Å |
| 107 | C | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 68.8 Ų | 68.8 | 25% | 0.25 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.9 | 174.9 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | C96 C101 S117 | C96-C107 WeakPolarHBondContact CA-SG 3.37Å; C96-C107 HydrophobicContact CB-CB 3.76Å; C96-C107 WeakPolarHBondContact CB-SG 2.99Å; C96-C107 WeakPolarHBondContact SG-CB 3.02Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.22Å; C101-C107 VanDerWaalsContact SG-CB 3.54Å; C107-S117 WeakPolarHBondContact CA-O 3.08Å |
| 108 | K | 98.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 63 Ų | 63 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 135.1 | 169.5 | -67.2 | 179.9 | 178.2 | 152 | 0 | 110.8 | E106 W116 S117 | E106-K108 VanDerWaalsContact CD-NZ 3.3Å; E106-K108 WeakPolarHBondContact OE1-CE 3.36Å; E106-K108 IonicContact OE1-NZ 2.87Å; E106-K108 PolarHBondContact OE1-NZ 3.17Å; E106-K108 VanDerWaalsContact OE1-NZ 3.14Å; E106-K108 WeakPolarHBondContact OE2-CE 3.46Å; E106-K108 IonicContact OE2-NZ 2.78Å; E106-K108 PolarHBondContact OE2-NZ 2.8Å; K108-W116 CarbonylContact O-C 3.51Å; K108-W116 WeakPolarHBondContact O-CA 3.4Å; K108-W116 WeakPolarHBondContact O-CB 2.91Å; K108-S117 PolarHBondContact N-O 2.78Å; K108-S117 PolarHBondContact O-N 2.85Å |
| 109 | V | 98.5 | Very high | 98.2 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.4 | 169.1 | 172.5 | 0 | 0 | 0 | 0 | 108.7 | W95 R113 | W95-V109 HydrophobicContact CB-CG2 4.3Å; V109-R113 HydrophobicContact CG1-CB 4.45Å; V109-R113 HydrophobicContact CG1-CG 4.37Å |
| 110 | L | 98.6 | Very high | 98.1 | Very high | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | trans | -63.7 | 149.6 | 177 | -65.6 | 178.8 | 0 | 0 | 0 | 111.1 | D112 R113 G115 T126 R128 | L110-D112 WeakPolarHBondContact CB-OD1 3.38Å; L110-D112 PolarHBondContact O-N 3.4Å; L110-R113 WeakPolarHBondContact O-CA 3.24Å; L110-R113 PolarHBondContact O-N 2.94Å; L110-G115 PolarHBondContact N-O 2.78Å; L110-T126 HydrophobicContact CD1-CG2 3.9Å; L110-T126 HydrophobicContact CD2-CG2 3.93Å; L110-T126 HydrophobicContact CG-CG2 4.49Å; L110-R128 HydrophobicContact CD1-CG 3.87Å | ||
| 111 | P | 97.9 | Very high | 98 | Very high | 136 Ų | 136 | 64.3 Ų | 64.3 | 88% | 0.883 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -34.4 | -176.9 | -28 | 35.6 | 0 | 0 | 0 | 114.6 | R113 | P111-R113 PolarHBondContact O-N 3.37Š|
| 112 | D | 97.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 72.4 Ų | 72.4 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.1 | 176.8 | 66.1 | -4.7 | 0 | 0 | 0 | 113.5 | L110 K114 | L110-D112 WeakPolarHBondContact CB-OD1 3.38Å; L110-D112 PolarHBondContact O-N 3.4Å; D112-K114 HydrophobicContact CB-CG 4.37Å; D112-K114 PolarHBondContact O-N 3.14Å; D112-K114 VanDerWaalsContact O-N 3.15Å; D112-K114 PolarHBondContact OD1-N 2.83Å |
| 113 | R | 97.6 | Very high | 97.8 | Very high | 154 Ų | 154 | 76.5 Ų | 76.5 | 58% | 0.581 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 57.2 | 17.7 | -173.6 | -52.5 | -176.8 | 177.6 | -152.1 | 0.8 | 114 | K93 W95 V109 L110 P111 G115 | K93-R113 HydrophobicContact CB-CB 4.21Å; K93-R113 HydrophobicContact CD-CB 3.81Å; W95-R113 PolarHBondContact NE1-O 2.96Å; V109-R113 HydrophobicContact CG1-CB 4.45Å; V109-R113 HydrophobicContact CG1-CG 4.37Å; L110-R113 WeakPolarHBondContact O-CA 3.24Å; L110-R113 PolarHBondContact O-N 2.94Å; P111-R113 PolarHBondContact O-N 3.37Å; R113-G115 VanDerWaalsContact C-N 3.28Å; R113-G115 PolarHBondContact O-N 2.87Å |
| 114 | K | 97.8 | Very high | 97.8 | Very high | 104 Ų | 104 | 73.4 Ų | 73.4 | 45% | 0.452 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -93.9 | 28.5 | 179.2 | -61.8 | -169.3 | 175.3 | -170.7 | 0 | 112.8 | D112 R128 V129 | D112-K114 HydrophobicContact CB-CG 4.37Å; D112-K114 PolarHBondContact O-N 3.14Å; D112-K114 VanDerWaalsContact O-N 3.15Å; D112-K114 PolarHBondContact OD1-N 2.83Å; K114-R128 CarbonylContact O-C 3.59Å; K114-R128 WeakPolarHBondContact O-CA 3.38Å; K114-V129 PolarHBondContact O-N 2.89Å |
| 115 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.6 | -158.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L110 R113 T127 | L110-G115 PolarHBondContact N-O 2.78Å; R113-G115 VanDerWaalsContact C-N 3.28Å; R113-G115 PolarHBondContact O-N 2.87Å; G115-T127 WeakPolarHBondContact CA-O 3.16Å |
| 116 | W | 98.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 77.3 Ų | 77.3 | 6% | 0.064 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 166.4 | -177.1 | 65.6 | 96.3 | 0 | 0 | 0 | 111.8 | W95 M98 P100 K108 T127 V129 | W95-W116 HydrophobicContact CB-CB 3.94Å; W95-W116 HydrophobicContact CB-CD2 4.28Å; W95-W116 HydrophobicContact CB-CE3 3.83Å; W95-W116 HydrophobicContact CB-CG 4.36Å; W95-W116 HydrophobicContact CD2-CE3 4.15Å; W95-W116 HydrophobicContact CD2-CZ3 4.43Å; W95-W116 HydrophobicContact CE3-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CZ3 4.1Å; W95-W116 AromaticContact CG-CE3 4Å; W95-W116 HydrophobicContact CG-CE3 4Å; M98-W116 HydrophobicContact CE-CD2 4.07Å; M98-W116 HydrophobicContact CE-CE3 3.72Å; M98-W116 HydrophobicContact CE-CH2 3.43Å; M98-W116 VanDerWaalsContact CE-CH2 3.43Å; M98-W116 HydrophobicContact CE-CZ2 3.78Å; M98-W116 HydrophobicContact CE-CZ3 3.42Å; M98-W116 VanDerWaalsContact CE-CZ3 3.42Å; P100-W116 HydrophobicContact CB-CD2 4.36Å; P100-W116 HydrophobicContact CB-CZ2 3.92Å; P100-W116 VanDerWaalsContact CB-NE1 3.34Å; P100-W116 VanDerWaalsContact CG-CD1 3.43Å; P100-W116 HydrophobicContact CG-CD2 4.13Å; P100-W116 HydrophobicContact CG-CG 3.9Å; K108-W116 CarbonylContact O-C 3.51Å; K108-W116 WeakPolarHBondContact O-CA 3.4Å; K108-W116 WeakPolarHBondContact O-CB 2.91Å; W116-T127 HydrophobicContact CD2-CG2 4.41Å; W116-T127 HydrophobicContact CE3-CG2 4.31Å; W116-T127 HydrophobicContact CH2-CG2 3.38Å; W116-T127 HydrophobicContact CZ2-CG2 3.48Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.48Å; W116-T127 HydrophobicContact CZ3-CG2 3.81Å; W116-T127 PolarHBondContact N-O 3.17Å; W116-T127 PolarHBondContact O-N 3.43Å; W116-V129 HydrophobicContact CZ3-CG2 4.26Å |
| 117 | S | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 75 Ų | 75 | 11% | 0.112 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.7 | 168.2 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | C107 K108 K125 | C107-S117 WeakPolarHBondContact CA-O 3.08Å; K108-S117 PolarHBondContact N-O 2.78Å; K108-S117 PolarHBondContact O-N 2.85Å; S117-K125 CarbonylContact C-O 3.58Å; S117-K125 WeakPolarHBondContact CA-O 3.39Å |
| 118 | C | 98.7 | Very high | 97.8 | Very high | 9 Ų | 9 | 82.3 Ų | 82.3 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.5 | 169.7 | -60.3 | 0 | 0 | 0 | 0 | 108.6 | C101 E105 E106 K125 | C101-C118 WeakPolarHBondContact CA-SG 3.45Å; C101-C118 HydrophobicContact CB-CB 3.65Å; C101-C118 WeakPolarHBondContact CB-SG 3.33Å; C101-C118 WeakPolarHBondContact SG-CA 3.41Å; C101-C118 WeakPolarHBondContact SG-CB 3.17Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 3Å; E105-C118 HydrophobicContact CB-CB 4.33Å; E105-C118 WeakPolarHBondContact OE2-CB 3.42Å; E106-C118 WeakPolarHBondContact O-CA 3.02Å; C118-K125 PolarHBondContact N-O 3.28Å; C118-K125 PolarHBondContact O-N 2.84Å |
| 119 | S | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 79.5 Ų | 79.5 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.3 | -177.5 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | E105 E106 K123 | E105-S119 CarbonylContact C-O 3.55Å; E105-S119 WeakPolarHBondContact CA-O 3.35Å; E106-S119 PolarHBondContact N-O 2.86Å; E106-S119 PolarHBondContact O-N 3.22Å; E106-S119 PolarHBondContact O-OG 3.47Å; S119-K123 CarbonylContact C-O 3.6Å; S119-K123 VanDerWaalsContact CA-O 3.28Å; S119-K123 WeakPolarHBondContact CA-O 3.47Å |
| 120 | S | 97.9 | Very high | 97.3 | Very high | 63 Ų | 63 | 83.1 Ų | 83.1 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 108 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | N122 K123 | S120-N122 PolarHBondContact O-N 2.87Å; S120-K123 PolarHBondContact N-O 3.05Å; S120-K123 WeakPolarHBondContact O-CB 3.28Å; S120-K123 PolarHBondContact O-N 2.91Å |
| 121 | G | 95.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 91.5 Ų | 91.5 | 74% | 0.742 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | -126.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K123 | G121-K123 VanDerWaalsContact C-N 3.29Å; G121-K123 PolarHBondContact O-N 3.31Å |
| 122 | N | 95.9 | Very high | 96.1 | Very high | 175 Ų | 175 | 89.3 Ų | 89.3 | 94% | 0.936 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.9 | 179.2 | -62.8 | -23.5 | 0 | 0 | 0 | 114 | S120 | S120-N122 PolarHBondContact O-N 2.87Š|
| 123 | K | 97.3 | Very high | 96.1 | Very high | 166 Ų | 166 | 89.7 Ų | 89.7 | 72% | 0.722 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121 | 179.8 | -63.2 | 177.8 | -178.3 | 174.4 | 0 | 109.4 | S119 S120 G121 | S119-K123 CarbonylContact C-O 3.6Å; S119-K123 VanDerWaalsContact CA-O 3.28Å; S119-K123 WeakPolarHBondContact CA-O 3.47Å; S120-K123 PolarHBondContact N-O 3.05Å; S120-K123 WeakPolarHBondContact O-CB 3.28Å; S120-K123 PolarHBondContact O-N 2.91Å; G121-K123 VanDerWaalsContact C-N 3.29Å; G121-K123 PolarHBondContact O-N 3.31Å |
| 124 | V | 98 | Very high | 96 | Very high | 92 Ų | 92 | 86.1 Ų | 86.1 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.4 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 125 | K | 97.6 | Very high | 95.9 | Very high | 115 Ų | 115 | 85.1 Ų | 85.1 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130 | 169.6 | -61.8 | 170.7 | -167.6 | 151.4 | 0 | 107.9 | E105 S117 C118 | E105-K125 IonicContact OE1-NZ 3.14Å; E105-K125 PolarHBondContact OE1-NZ 3.45Å; S117-K125 CarbonylContact C-O 3.58Å; S117-K125 WeakPolarHBondContact CA-O 3.39Å; C118-K125 PolarHBondContact N-O 3.28Å; C118-K125 PolarHBondContact O-N 2.84Å |
| 126 | T | 98 | Very high | 95.7 | Very high | 78 Ų | 78 | 90.4 Ų | 90.4 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.4 | 179.8 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | L110 R128 | L110-T126 HydrophobicContact CD1-CG2 3.9Å; L110-T126 HydrophobicContact CD2-CG2 3.93Å; L110-T126 HydrophobicContact CG-CG2 4.49Å; T126-R128 HydrophobicContact CG2-CG 4.15Å |
| 127 | T | 97.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 95.3 Ų | 95.3 | 36% | 0.362 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.1 | 171.1 | -59.1 | 0 | 0 | 0 | 0 | 108.8 | G115 W116 | G115-T127 WeakPolarHBondContact CA-O 3.16Å; W116-T127 HydrophobicContact CD2-CG2 4.41Å; W116-T127 HydrophobicContact CE3-CG2 4.31Å; W116-T127 HydrophobicContact CH2-CG2 3.38Å; W116-T127 HydrophobicContact CZ2-CG2 3.48Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.48Å; W116-T127 HydrophobicContact CZ3-CG2 3.81Å; W116-T127 PolarHBondContact N-O 3.17Å; W116-T127 PolarHBondContact O-N 3.43Å |
| 128 | R | 97.5 | Very high | 95.3 | Very high | 189 Ų | 189 | 100.9 Ų | 100.9 | 71% | 0.713 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.3 | 176.5 | -68.6 | -173.5 | 174.9 | -162.9 | -2.1 | 110.2 | L110 K114 T126 | L110-R128 HydrophobicContact CD1-CG 3.87Å; K114-R128 CarbonylContact O-C 3.59Å; K114-R128 WeakPolarHBondContact O-CA 3.38Å; T126-R128 HydrophobicContact CG2-CG 4.15Å |
| 129 | V | 95.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 108 Ų | 108 | 26% | 0.255 | 58% | 0.584 | S | S | . | * | trans | -103.3 | 123.6 | 174.7 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | W95 K114 W116 | W95-V129 HydrophobicContact CH2-CG2 4.08Å; W95-V129 HydrophobicContact CZ2-CG2 4.35Å; W95-V129 HydrophobicContact CZ3-CG2 4.38Å; K114-V129 PolarHBondContact O-N 2.89Å; W116-V129 HydrophobicContact CZ3-CG2 4.26Å | ||
| 130 | T | 91.7 | Very high | 94.8 | Very high | 137 Ų | 137 | 115.3 Ų | 115.3 | 84% | 0.84 | 62% | 0.621 | S | S | * | * | trans | -93.6 | 115.3 | 171.9 | 52.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 131 | H | 75.4 | Confident | 94.5 | Very high | 196 Ų | 196 | 120.1 Ų | 120.1 | 91% | 0.907 | 64% | 0.638 | S | S | * | * | trans | -102.8 | 0 | 164.7 | -67.4 | -81.4 | 0 | 0 | 0 | 108.7 |
Retrieved 131 of 131 residues in 773.4 ms
(Link to these results)