| 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 | 41.7 | Very low | 43.7 | Very low | 253 Ų | 253 | 184.7 Ų | 184.7 | 100% | 1.246 | 90% | 0.898 | S | S | * | * | 0 | 121.8 | 0 | -81 | 175.1 | 169.3 | 0 | 0 | 108.6 | |||||
| 2 | A | 41.2 | Very low | 43.1 | Very low | 92 Ų | 92 | 174.6 Ų | 174.6 | 76% | 0.76 | 88% | 0.878 | S | S | * | * | trans | -148.8 | 132.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | P | 48.3 | Very low | 43.2 | Very low | 131 Ų | 131 | 171.5 Ų | 171.5 | 85% | 0.851 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 133.8 | -169.5 | 31.4 | -31.8 | 0 | 0 | 0 | 111.4 | R5 | P3-R5 PolarHBondContact O-N 2.94Š|
| 4 | R | 44.8 | Very low | 43.2 | Very low | 250 Ų | 250 | 165.5 Ų | 165.5 | 94% | 0.943 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 117.1 | 171.4 | -68.3 | -179.7 | 174.2 | -140.4 | -1.1 | 108.7 | A6 | R4-A6 PolarHBondContact O-N 3.49Š|
| 5 | R | 46.1 | Very low | 43.3 | Very low | 250 Ų | 250 | 161.2 Ų | 161.2 | 94% | 0.943 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.1 | 169.5 | -94.4 | 179.9 | 163.7 | -149.1 | -2.8 | 109.2 | P3 R7 | P3-R5 PolarHBondContact O-N 2.94Å; R5-R7 PolarHBondContact O-N 2.71Å |
| 6 | A | 47.5 | Very low | 43.8 | Very low | 98 Ų | 98 | 155.9 Ų | 155.9 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -64.8 | 115.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R4 K8 | R4-A6 PolarHBondContact O-N 3.49Å; A6-K8 PolarHBondContact O-N 2.91Å | ||
| 7 | R | 44.9 | Very low | 45 | Very low | 245 Ų | 245 | 153.2 Ų | 153.2 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -70.5 | 99.8 | 169.6 | -177.6 | 168 | 158 | -176.2 | -6.4 | 106.9 | R5 R9 | R5-R7 PolarHBondContact O-N 2.71Å; R7-R9 PolarHBondContact O-N 3.25Å; R7-R9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | K | 43.7 | Very low | 46.5 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -51.9 | 115.6 | 171.7 | -147.2 | 174.8 | -176 | -173.9 | 0 | 106.9 | A6 A10 | A6-K8 PolarHBondContact O-N 2.91Å; K8-A10 PolarHBondContact O-N 3.16Å; K8-A10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | R | 39.3 | Very low | 47.9 | Very low | 232 Ų | 232 | 142.2 Ų | 142.2 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | trans | -58.8 | 115.5 | 166.4 | -82.3 | 180 | 168.6 | -131.4 | -0 | 105.2 | R7 E11 | R7-R9 PolarHBondContact O-N 3.25Å; R7-R9 VanDerWaalsContact O-N 3.12Å; R9-E11 PolarHBondContact O-N 2.96Å | ||
| 10 | A | 42.4 | Very low | 49.4 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -60.4 | 109.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | K8 G12 | K8-A10 PolarHBondContact O-N 3.16Å; K8-A10 VanDerWaalsContact O-N 3.1Å; A10-G12 VanDerWaalsContact C-N 3.27Å; A10-G12 PolarHBondContact O-N 2.89Å | ||
| 11 | E | 41.2 | Very low | 50.6 | Low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | -55.7 | 104 | 159.6 | -72.3 | 166.3 | 126.2 | 0 | 0 | 104.7 | R9 T13 | R9-E11 PolarHBondContact O-N 2.96Å; E11-T13 PolarHBondContact O-N 3.21Å; E11-T13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | G | 36.6 | Very low | 52.5 | Low | 63 Ų | 63 | 125.9 Ų | 125.9 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | trans | -53.3 | 121.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | A10 A14 | A10-G12 VanDerWaalsContact C-N 3.27Å; A10-G12 PolarHBondContact O-N 2.89Å; G12-A14 PolarHBondContact O-N 2.74Å | ||
| 13 | T | 43.3 | Very low | 54.6 | Low | 135 Ų | 135 | 125.2 Ų | 125.2 | 83% | 0.828 | 66% | 0.662 | S | S | * | * | trans | -38.5 | 113.9 | 163 | 15.9 | 0 | 0 | 0 | 0 | 107.4 | E11 S15 | E11-T13 PolarHBondContact O-N 3.21Å; E11-T13 VanDerWaalsContact O-N 3.1Å; T13-S15 PolarHBondContact O-N 2.98Å | ||
| 14 | A | 43.5 | Very low | 56.2 | Low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 66% | 0.656 | S | S | * | * | trans | -66.9 | 77.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | G12 S16 | G12-A14 PolarHBondContact O-N 2.74Å; A14-S16 PolarHBondContact O-N 3.15Å; A14-S16 PolarHBondContact O-OG 2.98Å | ||
| 15 | S | 44.7 | Very low | 58.2 | Low | 101 Ų | 101 | 117.9 Ų | 117.9 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | trans | -69.4 | 66.7 | 151.7 | 66.1 | 0 | 0 | 0 | 0 | 106.4 | T13 N17 | T13-S15 PolarHBondContact O-N 2.98Å; S15-N17 PolarHBondContact O-N 3.41Å | ||
| 16 | S | 51.2 | Low | 60 | Low | 76 Ų | 76 | 109.3 Ų | 109.3 | 53% | 0.531 | 61% | 0.606 | S | S | . | * | trans | -50.8 | 111.1 | 159.7 | -30.5 | 0 | 0 | 0 | 0 | 103.6 | A14 V18 | A14-S16 PolarHBondContact O-N 3.15Å; A14-S16 PolarHBondContact O-OG 2.98Å; S16-V18 PolarHBondContact O-N 3.01Å | ||
| 17 | N | 65 | Low | 61.9 | Low | 111 Ų | 111 | 105.5 Ų | 105.5 | 59% | 0.594 | 57% | 0.572 | S | S | * | * | trans | -49 | 102 | -171.9 | -87 | -22.3 | 0 | 0 | 0 | 108.4 | S15 F19 S20 | S15-N17 PolarHBondContact O-N 3.41Å; N17-F19 PolarHBondContact O-N 3.11Å; N17-F19 VanDerWaalsContact O-N 3.16Å; N17-S20 WeakPolarHBondContact O-CA 3.45Å; N17-S20 WeakPolarHBondContact O-CB 3.13Å; N17-S20 PolarHBondContact O-N 3.18Å; N17-S20 PolarHBondContact O-OG 2.85Å | ||
| 18 | V | 72.4 | Confident | 64 | Low | 12 Ų | 12 | 98.1 Ų | 98.1 | 7% | 0.073 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -58.9 | -31.9 | -179.5 | 62.2 | 0 | 0 | 0 | 0 | 110 | S16 S20 M21 F22 T81 L84 | S16-V18 PolarHBondContact O-N 3.01Å; V18-S20 PolarHBondContact O-N 3.35Å; V18-S20 VanDerWaalsContact O-N 3.12Å; V18-M21 WeakPolarHBondContact O-CB 3.35Å; V18-M21 PolarHBondContact O-N 3.45Å; V18-F22 HydrophobicContact CG2-CE2 4.17Å; V18-F22 WeakPolarHBondContact O-CD2 3.5Å; V18-T81 HydrophobicContact CG1-CG2 4.28Å; V18-L84 HydrophobicContact CG1-CB 4.29Å; V18-L84 HydrophobicContact CG2-CB 4.1Å; V18-L84 WeakPolarHBondContact CG2-O 3.3Å |
| 19 | F | 71.6 | Confident | 66.1 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 37% | 0.373 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -59.4 | -16.3 | 169.8 | -67.3 | -80.7 | 0 | 0 | 0 | 115.1 | N17 I27 F80 T81 L84 | N17-F19 PolarHBondContact O-N 3.11Å; N17-F19 VanDerWaalsContact O-N 3.16Å; F19-I27 HydrophobicContact CD1-CD1 4.17Å; F19-I27 HydrophobicContact CD1-CG2 4.36Å; F19-I27 HydrophobicContact CE1-CG2 4.42Å; F19-F80 HydrophobicContact CE1-CE1 4.03Å; F19-F80 HydrophobicContact CZ-CD1 4.44Å; F19-F80 HydrophobicContact CZ-CE1 4.37Å; F19-T81 HydrophobicContact CE2-CG2 4.39Å; F19-L84 HydrophobicContact CD1-CD1 3.77Å; F19-L84 HydrophobicContact CE1-CD1 3.27Å; F19-L84 HydrophobicContact CE2-CD1 4.45Å; F19-L84 HydrophobicContact CZ-CD1 3.67Å |
| 20 | S | 79.2 | Confident | 68.6 | Low | 93 Ų | 93 | 85.6 Ų | 85.6 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -89.5 | -9.4 | 174.5 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | N17 V18 F22 | N17-S20 WeakPolarHBondContact O-CA 3.45Å; N17-S20 WeakPolarHBondContact O-CB 3.13Å; N17-S20 PolarHBondContact O-N 3.18Å; N17-S20 PolarHBondContact O-OG 2.85Å; V18-S20 PolarHBondContact O-N 3.35Å; V18-S20 VanDerWaalsContact O-N 3.12Å; S20-F22 VanDerWaalsContact C-N 3.32Å |
| 21 | M | 74.8 | Confident | 70.9 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 41% | 0.414 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -82.2 | -14.5 | 175.1 | -58.9 | -177.9 | -178.1 | 0 | 0 | 112.6 | V18 | V18-M21 WeakPolarHBondContact O-CB 3.35Å; V18-M21 PolarHBondContact O-N 3.45Å |
| 22 | F | 81.5 | Confident | 73.4 | Confident | 18 Ų | 18 | 82.5 Ų | 82.5 | 8% | 0.079 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -124.1 | 145.9 | -175.2 | -60.4 | -67.9 | 0 | 0 | 0 | 110.5 | V18 S20 Q26 I27 F30 L84 F87 L91 | V18-F22 HydrophobicContact CG2-CE2 4.17Å; V18-F22 WeakPolarHBondContact O-CD2 3.5Å; S20-F22 VanDerWaalsContact C-N 3.32Å; F22-Q26 HydrophobicContact CB-CB 4.13Å; F22-Q26 HydrophobicContact CD1-CB 4.41Å; F22-I27 HydrophobicContact CB-CD1 4.27Å; F22-I27 HydrophobicContact CB-CG1 3.74Å; F22-F30 AromaticContact CD1-CE2 3.73Å; F22-F30 HydrophobicContact CD1-CE2 3.73Å; F22-F30 AromaticContact CE1-CE2 3.62Å; F22-F30 HydrophobicContact CE1-CE2 3.62Å; F22-F30 HydrophobicContact CE1-CZ 4.04Å; F22-F30 HydrophobicContact CE2-CE2 4.47Å; F22-F30 HydrophobicContact CG-CE2 4.19Å; F22-F30 AromaticContact CZ-CE2 3.97Å; F22-F30 HydrophobicContact CZ-CE2 3.97Å; F22-F30 HydrophobicContact CZ-CZ 4.33Å; F22-L84 HydrophobicContact CD2-CD2 4.35Å; F22-L84 HydrophobicContact CE2-CD2 4.3Å; F22-L84 WeakPolarHBondContact CE2-O 3.39Å; F22-F87 HydrophobicContact CZ-CB 4.33Å; F22-L91 HydrophobicContact CE1-CD1 3.9Å; F22-L91 HydrophobicContact CZ-CD1 4.4Å |
| 23 | D | 84.1 | Confident | 76 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | trans | -75.7 | 170 | 169 | 66.7 | 58.6 | 0 | 0 | 0 | 111.8 | S25 Q26 I27 | D23-S25 VanDerWaalsContact C-N 3.29Å; D23-S25 PolarHBondContact O-N 3.48Å; D23-S25 WeakPolarHBondContact OD1-CA 3.44Å; D23-S25 WeakPolarHBondContact OD1-CB 3.38Å; D23-S25 PolarHBondContact OD1-N 2.92Å; D23-S25 PolarHBondContact OD1-OG 3.32Å; D23-Q26 VanDerWaalsContact N-OE1 3.11Å; D23-Q26 PolarHBondContact O-N 2.99Å; D23-Q26 WeakPolarHBondContact OD1-CG 3.36Å; D23-Q26 PolarHBondContact OD1-N 3.17Å; D23-Q26 PolarHBondContact OD2-OE1 3.11Å; D23-I27 WeakPolarHBondContact O-CD1 3.49Å; D23-I27 VanDerWaalsContact O-CG1 3.26Å; D23-I27 WeakPolarHBondContact O-CG1 3.41Å; D23-I27 PolarHBondContact O-N 2.92Å | ||
| 24 | Q | 83.4 | Confident | 78.4 | Confident | 153 Ų | 153 | 75.6 Ų | 75.6 | 72% | 0.715 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.9 | -32 | -176.8 | -70.1 | -64.9 | -60.2 | 0 | 0 | 113.1 | Q28 | Q24-Q28 WeakPolarHBondContact O-CB 3.25Å; Q24-Q28 PolarHBondContact O-N 3.37Å; Q24-Q28 VanDerWaalsContact O-N 3.08Å |
| 25 | S | 85.2 | Confident | 80.7 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 51% | 0.51 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.2 | -47.9 | 175.9 | 19.6 | 0 | 0 | 0 | 0 | 111 | D23 I27 Q28 E29 | D23-S25 VanDerWaalsContact C-N 3.29Å; D23-S25 PolarHBondContact O-N 3.48Å; D23-S25 WeakPolarHBondContact OD1-CA 3.44Å; D23-S25 WeakPolarHBondContact OD1-CB 3.38Å; D23-S25 PolarHBondContact OD1-N 2.92Å; D23-S25 PolarHBondContact OD1-OG 3.32Å; S25-I27 VanDerWaalsContact C-N 3.35Å; S25-I27 PolarHBondContact O-N 3.37Å; S25-Q28 WeakPolarHBondContact O-CB 3.37Å; S25-Q28 PolarHBondContact O-N 3.08Å; S25-Q28 VanDerWaalsContact O-N 3.1Å; S25-E29 PolarHBondContact O-N 2.79Å |
| 26 | Q | 83.8 | Confident | 82.9 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 176.6 | -69.8 | 178.3 | -41.9 | 0 | 0 | 111.4 | F22 D23 Q28 E29 F30 | F22-Q26 HydrophobicContact CB-CB 4.13Å; F22-Q26 HydrophobicContact CD1-CB 4.41Å; D23-Q26 VanDerWaalsContact N-OE1 3.11Å; D23-Q26 PolarHBondContact O-N 2.99Å; D23-Q26 WeakPolarHBondContact OD1-CG 3.36Å; D23-Q26 PolarHBondContact OD1-N 3.17Å; D23-Q26 PolarHBondContact OD2-OE1 3.11Å; Q26-Q28 PolarHBondContact O-N 2.83Å; Q26-E29 PolarHBondContact O-N 3.46Å; Q26-F30 HydrophobicContact CB-CD2 4.46Å; Q26-F30 HydrophobicContact CB-CE2 4.22Å; Q26-F30 WeakPolarHBondContact O-CD2 3.45Å; Q26-F30 WeakPolarHBondContact O-CG 3.45Å; Q26-F30 PolarHBondContact O-N 3.3Å |
| 27 | I | 87.8 | Confident | 85 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 176.6 | -66.9 | 162.8 | 0 | 0 | 0 | 111 | F19 F22 D23 S25 K31 | F19-I27 HydrophobicContact CD1-CD1 4.17Å; F19-I27 HydrophobicContact CD1-CG2 4.36Å; F19-I27 HydrophobicContact CE1-CG2 4.42Å; F22-I27 HydrophobicContact CB-CD1 4.27Å; F22-I27 HydrophobicContact CB-CG1 3.74Å; D23-I27 WeakPolarHBondContact O-CD1 3.49Å; D23-I27 VanDerWaalsContact O-CG1 3.26Å; D23-I27 WeakPolarHBondContact O-CG1 3.41Å; D23-I27 PolarHBondContact O-N 2.92Å; S25-I27 VanDerWaalsContact C-N 3.35Å; S25-I27 PolarHBondContact O-N 3.37Å; I27-K31 WeakPolarHBondContact O-CB 3.36Å; I27-K31 PolarHBondContact O-N 2.87Å |
| 28 | Q | 88.8 | Confident | 86.4 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 178.5 | -175.9 | 57.2 | 40.4 | 0 | 0 | 111.5 | Q24 S25 Q26 K31 E32 | Q24-Q28 WeakPolarHBondContact O-CB 3.25Å; Q24-Q28 PolarHBondContact O-N 3.37Å; Q24-Q28 VanDerWaalsContact O-N 3.08Å; S25-Q28 WeakPolarHBondContact O-CB 3.37Å; S25-Q28 PolarHBondContact O-N 3.08Å; S25-Q28 VanDerWaalsContact O-N 3.1Å; Q26-Q28 PolarHBondContact O-N 2.83Å; Q28-K31 WeakPolarHBondContact O-CB 3.4Å; Q28-K31 PolarHBondContact O-N 2.93Å; Q28-K31 VanDerWaalsContact O-N 3.16Å; Q28-E32 PolarHBondContact NE2-OE1 3.33Å; Q28-E32 WeakPolarHBondContact O-CG 3.24Å; Q28-E32 PolarHBondContact O-N 3.05Å |
| 29 | E | 89.1 | Confident | 87.3 | Confident | 135 Ų | 135 | 73.3 Ų | 73.3 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.3 | -46 | 173.9 | -72.4 | 178.7 | -175.5 | 0 | 0 | 111.7 | S25 Q26 K31 E32 A33 | S25-E29 PolarHBondContact O-N 2.79Å; Q26-E29 PolarHBondContact O-N 3.46Å; E29-K31 PolarHBondContact O-N 3Å; E29-E32 PolarHBondContact O-N 3.23Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 2.92Å |
| 30 | F | 90.7 | Very high | 88.2 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 175.5 | -73.7 | -56.4 | 0 | 0 | 0 | 112.1 | F22 Q26 F34 F80 F83 L84 F87 L91 | F22-F30 AromaticContact CD1-CE2 3.73Å; F22-F30 HydrophobicContact CD1-CE2 3.73Å; F22-F30 AromaticContact CE1-CE2 3.62Å; F22-F30 HydrophobicContact CE1-CE2 3.62Å; F22-F30 HydrophobicContact CE1-CZ 4.04Å; F22-F30 HydrophobicContact CE2-CE2 4.47Å; F22-F30 HydrophobicContact CG-CE2 4.19Å; F22-F30 AromaticContact CZ-CE2 3.97Å; F22-F30 HydrophobicContact CZ-CE2 3.97Å; F22-F30 HydrophobicContact CZ-CZ 4.33Å; Q26-F30 HydrophobicContact CB-CD2 4.46Å; Q26-F30 HydrophobicContact CB-CE2 4.22Å; Q26-F30 WeakPolarHBondContact O-CD2 3.45Å; Q26-F30 WeakPolarHBondContact O-CG 3.45Å; Q26-F30 PolarHBondContact O-N 3.3Å; F30-F34 VanDerWaalsContact O-CB 3.26Å; F30-F34 WeakPolarHBondContact O-CB 3.41Å; F30-F34 PolarHBondContact O-N 3.35Å; F30-F80 HydrophobicContact CB-CE2 4.18Å; F30-F80 HydrophobicContact CB-CZ 4.43Å; F30-F83 HydrophobicContact CB-CE1 4.34Å; F30-F83 HydrophobicContact CD1-CE1 4.02Å; F30-L84 HydrophobicContact CB-CD2 3.58Å; F30-L84 HydrophobicContact CD2-CD2 3.51Å; F30-L84 HydrophobicContact CE2-CD2 4.36Å; F30-L84 HydrophobicContact CG-CD2 3.64Å; F30-F87 HydrophobicContact CD1-CG 4.36Å; F30-F87 HydrophobicContact CE1-CB 4Å; F30-F87 AromaticContact CE1-CD1 3.74Å; F30-F87 HydrophobicContact CE1-CD1 3.74Å; F30-F87 HydrophobicContact CE1-CD2 4.31Å; F30-F87 HydrophobicContact CE1-CE1 4.32Å; F30-F87 AromaticContact CE1-CG 3.73Å; F30-F87 HydrophobicContact CE1-CG 3.73Å; F30-F87 HydrophobicContact CZ-CB 4.11Å; F30-F87 HydrophobicContact CZ-CD1 4.35Å; F30-F87 HydrophobicContact CZ-CG 4.32Å; F30-L91 HydrophobicContact CZ-CD1 4.17Å |
| 31 | K | 92.1 | Very high | 88.8 | Confident | 111 Ų | 111 | 78.5 Ų | 78.5 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 177.8 | -170.8 | 178.1 | 179.5 | -176.7 | 0 | 111.8 | I27 Q28 E29 T35 F80 | I27-K31 WeakPolarHBondContact O-CB 3.36Å; I27-K31 PolarHBondContact O-N 2.87Å; Q28-K31 WeakPolarHBondContact O-CB 3.4Å; Q28-K31 PolarHBondContact O-N 2.93Å; Q28-K31 VanDerWaalsContact O-N 3.16Å; E29-K31 PolarHBondContact O-N 3Å; K31-T35 WeakPolarHBondContact O-CB 3.43Å; K31-T35 PolarHBondContact O-N 3.22Å; K31-T35 PolarHBondContact O-OG1 3.12Å; K31-F80 HydrophobicContact CB-CE2 4.01Å; K31-F80 HydrophobicContact CB-CZ 3.75Å; K31-F80 HydrophobicContact CG-CE2 4.5Å; K31-F80 HydrophobicContact CG-CZ 4.28Å |
| 32 | E | 92.7 | Very high | 89.8 | Confident | 107 Ų | 107 | 78.6 Ų | 78.6 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 174.9 | -73.2 | 173.2 | -161.2 | 0 | 0 | 111 | Q28 E29 F34 T35 I36 | Q28-E32 PolarHBondContact NE2-OE1 3.33Å; Q28-E32 WeakPolarHBondContact O-CG 3.24Å; Q28-E32 PolarHBondContact O-N 3.05Å; E29-E32 PolarHBondContact O-N 3.23Å; E32-F34 PolarHBondContact O-N 2.89Å; E32-T35 PolarHBondContact O-N 3.29Å; E32-I36 WeakPolarHBondContact O-CG1 3.33Å; E32-I36 PolarHBondContact O-N 3.35Å |
| 33 | A | 91.8 | Very high | 90.3 | Very high | 40 Ų | 40 | 79.1 Ų | 79.1 | 33% | 0.331 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | E29 T35 I36 M37 | E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 2.92Å; A33-T35 VanDerWaalsContact C-N 3.29Å; A33-T35 PolarHBondContact O-N 2.92Å; A33-I36 WeakPolarHBondContact O-CB 3.47Å; A33-I36 PolarHBondContact O-N 2.71Å; A33-I36 VanDerWaalsContact O-N 3.11Å; A33-M37 WeakPolarHBondContact O-CG 3.47Å; A33-M37 PolarHBondContact O-N 2.87Å |
| 34 | F | 93.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 79.5 Ų | 79.5 | 6% | 0.057 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 177.1 | -171.9 | -85 | 0 | 0 | 0 | 111.8 | F30 E32 I36 M37 D38 G43 I45 F80 F83 | F30-F34 VanDerWaalsContact O-CB 3.26Å; F30-F34 WeakPolarHBondContact O-CB 3.41Å; F30-F34 PolarHBondContact O-N 3.35Å; E32-F34 PolarHBondContact O-N 2.89Å; F34-I36 VanDerWaalsContact C-N 3.28Å; F34-I36 PolarHBondContact O-N 3.38Å; F34-M37 PolarHBondContact O-N 2.89Å; F34-M37 VanDerWaalsContact O-N 3.15Å; F34-D38 HydrophobicContact CD1-CB 4.25Å; F34-D38 HydrophobicContact CE1-CB 3.94Å; F34-D38 WeakPolarHBondContact O-CB 3.47Å; F34-D38 PolarHBondContact O-N 3.44Å; F34-G43 WeakPolarHBondContact CZ-O 3.43Å; F34-I45 HydrophobicContact CD2-CD1 3.49Å; F34-I45 VanDerWaalsContact CD2-CD1 3.49Å; F34-I45 HydrophobicContact CD2-CG1 4.14Å; F34-I45 HydrophobicContact CE2-CD1 3.44Å; F34-I45 VanDerWaalsContact CE2-CD1 3.44Å; F34-I45 HydrophobicContact CE2-CG1 3.65Å; F34-I45 HydrophobicContact CG-CD1 4.34Å; F34-I45 HydrophobicContact CZ-CD1 4.24Å; F34-I45 HydrophobicContact CZ-CG1 3.97Å; F34-F80 HydrophobicContact CB-CD2 3.76Å; F34-F80 HydrophobicContact CB-CE2 4.1Å; F34-F80 HydrophobicContact CD1-CB 4.46Å; F34-F80 HydrophobicContact CD1-CD2 4.29Å; F34-F80 HydrophobicContact CD2-CB 4.37Å; F34-F80 AromaticContact CD2-CD2 3.91Å; F34-F80 HydrophobicContact CD2-CD2 3.91Å; F34-F80 HydrophobicContact CE1-CB 4.41Å; F34-F80 HydrophobicContact CE2-CB 4.31Å; F34-F80 HydrophobicContact CG-CB 4.45Å; F34-F80 AromaticContact CG-CD2 3.71Å; F34-F80 HydrophobicContact CG-CD2 3.71Å; F34-F80 HydrophobicContact CZ-CB 4.34Å; F34-F83 HydrophobicContact CB-CE1 4.47Å; F34-F83 HydrophobicContact CD2-CB 3.9Å; F34-F83 HydrophobicContact CD2-CD1 4.06Å; F34-F83 HydrophobicContact CD2-CD2 4.05Å; F34-F83 AromaticContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CE2-CB 4.06Å; F34-F83 HydrophobicContact CE2-CG 4.35Å |
| 35 | T | 92.3 | Very high | 91.4 | Very high | 78 Ų | 78 | 72.5 Ų | 72.5 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.3 | -30.1 | 178.3 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | K31 E32 A33 | K31-T35 WeakPolarHBondContact O-CB 3.43Å; K31-T35 PolarHBondContact O-N 3.22Å; K31-T35 PolarHBondContact O-OG1 3.12Å; E32-T35 PolarHBondContact O-N 3.29Å; A33-T35 VanDerWaalsContact C-N 3.29Å; A33-T35 PolarHBondContact O-N 2.92Å |
| 36 | I | 90.9 | Very high | 91.8 | Very high | 111 Ų | 111 | 71.9 Ų | 71.9 | 57% | 0.569 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74.1 | -33.2 | 173.7 | -67 | 164.1 | 0 | 0 | 0 | 110.5 | E32 A33 F34 Q39 | E32-I36 WeakPolarHBondContact O-CG1 3.33Å; E32-I36 PolarHBondContact O-N 3.35Å; A33-I36 WeakPolarHBondContact O-CB 3.47Å; A33-I36 PolarHBondContact O-N 2.71Å; A33-I36 VanDerWaalsContact O-N 3.11Å; F34-I36 VanDerWaalsContact C-N 3.28Å; F34-I36 PolarHBondContact O-N 3.38Å; I36-Q39 PolarHBondContact O-NE2 3.43Å |
| 37 | M | 93.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 70.7 Ų | 70.7 | 19% | 0.187 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77.8 | -44.2 | 179.6 | -66.9 | -179.4 | 73.7 | 0 | 0 | 112.7 | A33 F34 Q39 I45 D49 L50 T53 F83 | A33-M37 WeakPolarHBondContact O-CG 3.47Å; A33-M37 PolarHBondContact O-N 2.87Å; F34-M37 PolarHBondContact O-N 2.89Å; F34-M37 VanDerWaalsContact O-N 3.15Å; M37-Q39 VanDerWaalsContact C-N 3.3Å; M37-Q39 PolarHBondContact O-N 3.37Å; M37-I45 HydrophobicContact CB-CD1 3.8Å; M37-I45 HydrophobicContact CB-CG1 4.17Å; M37-I45 HydrophobicContact CE-CD1 4.11Å; M37-I45 HydrophobicContact CE-CG2 4.42Å; M37-I45 HydrophobicContact SD-CD1 4.11Å; M37-D49 WeakPolarHBondContact O-CB 3.35Å; M37-L50 HydrophobicContact CE-CD2 3.47Å; M37-L50 VanDerWaalsContact CE-CD2 3.47Å; M37-T53 WeakPolarHBondContact CA-OG1 3.48Å; M37-T53 HydrophobicContact CG-CG2 3.93Å; M37-F83 HydrophobicContact SD-CE2 3.82Å; M37-F83 HydrophobicContact SD-CZ 4.11Å |
| 38 | D | 94.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 74.5 Ų | 74.5 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | trans | -73.9 | 77.7 | 177.9 | 179 | 10.7 | 0 | 0 | 0 | 110.7 | F34 N40 R41 D42 G43 | F34-D38 HydrophobicContact CD1-CB 4.25Å; F34-D38 HydrophobicContact CE1-CB 3.94Å; F34-D38 WeakPolarHBondContact O-CB 3.47Å; F34-D38 PolarHBondContact O-N 3.44Å; D38-N40 VanDerWaalsContact C-N 3.34Å; D38-N40 PolarHBondContact OD1-OD1 3.41Å; D38-N40 VanDerWaalsContact OD1-OD1 3.05Å; D38-R41 PolarHBondContact O-N 3.49Å; D38-R41 WeakPolarHBondContact OD1-CA 3.26Å; D38-R41 PolarHBondContact OD1-N 2.85Å; D38-R41 WeakPolarHBondContact OD2-CA 3.35Å; D38-D42 PolarHBondContact OD1-N 2.89Å; D38-D42 VanDerWaalsContact OD1-N 3.17Å; D38-G43 VanDerWaalsContact OD2-CA 3.25Å; D38-G43 WeakPolarHBondContact OD2-CA 3.36Å; D38-G43 PolarHBondContact OD2-N 2.82Å | ||
| 39 | Q | 90.6 | Very high | 92.8 | Very high | 100 Ų | 100 | 70.4 Ų | 70.4 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -67.4 | -38.2 | -174.8 | -71.8 | -67.8 | -37.5 | 0 | 0 | 111.3 | I36 M37 R41 D49 D52 | I36-Q39 PolarHBondContact O-NE2 3.43Å; M37-Q39 VanDerWaalsContact C-N 3.3Å; M37-Q39 PolarHBondContact O-N 3.37Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; Q39-D49 PolarHBondContact N-OD1 2.56Å; Q39-D49 VanDerWaalsContact N-OD1 3.11Å; Q39-D52 HydrophobicContact CG-CB 4.02Å |
| 40 | N | 91.8 | Very high | 93 | Very high | 83 Ų | 83 | 64.4 Ų | 64.4 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -80.1 | -13.8 | -179.1 | 74.6 | 26.5 | 0 | 0 | 0 | 113 | D38 D42 D49 | D38-N40 VanDerWaalsContact C-N 3.34Å; D38-N40 PolarHBondContact OD1-OD1 3.41Å; D38-N40 VanDerWaalsContact OD1-OD1 3.05Å; N40-D42 VanDerWaalsContact C-N 3.32Å; N40-D42 PolarHBondContact O-N 3.1Å; N40-D42 VanDerWaalsContact OD1-CB 3.24Å; N40-D42 WeakPolarHBondContact OD1-CB 3.46Å; N40-D42 PolarHBondContact OD1-N 3.31Å; N40-D42 PolarHBondContact OD1-OD1 3.38Å; N40-D49 PolarHBondContact N-OD1 2.87Å |
| 41 | R | 92.1 | Very high | 93.1 | Very high | 203 Ų | 203 | 66.4 Ų | 66.4 | 77% | 0.766 | 33% | 0.326 | S | S | * | . | trans | 61.5 | 33.1 | 178.8 | -56.8 | -174.8 | 179.6 | -170.9 | -0.7 | 114.1 | D38 Q39 G43 | D38-R41 PolarHBondContact O-N 3.49Å; D38-R41 WeakPolarHBondContact OD1-CA 3.26Å; D38-R41 PolarHBondContact OD1-N 2.85Å; D38-R41 WeakPolarHBondContact OD2-CA 3.35Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; R41-G43 VanDerWaalsContact C-N 3.29Å | ||
| 42 | D | 94.2 | Very high | 93.1 | Very high | 86 Ų | 86 | 64.9 Ų | 64.9 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -85.3 | -5.9 | 176.9 | 81.3 | 3.5 | 0 | 0 | 0 | 112.9 | D38 N40 F44 | D38-D42 PolarHBondContact OD1-N 2.89Å; D38-D42 VanDerWaalsContact OD1-N 3.17Å; N40-D42 VanDerWaalsContact C-N 3.32Å; N40-D42 PolarHBondContact O-N 3.1Å; N40-D42 VanDerWaalsContact OD1-CB 3.24Å; N40-D42 WeakPolarHBondContact OD1-CB 3.46Å; N40-D42 PolarHBondContact OD1-N 3.31Å; N40-D42 PolarHBondContact OD1-OD1 3.38Å; D42-F44 WeakPolarHBondContact O-CD2 3.44Å; D42-F44 WeakPolarHBondContact OD1-CA 3.35Å; D42-F44 WeakPolarHBondContact OD1-CB 3.41Å; D42-F44 PolarHBondContact OD1-N 3.11Å; D42-F44 VanDerWaalsContact OD1-O 3.08Å |
| 43 | G | 93.7 | Very high | 93 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 86.6 | 8.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | F34 D38 R41 N79 | F34-G43 WeakPolarHBondContact CZ-O 3.43Å; D38-G43 VanDerWaalsContact OD2-CA 3.25Å; D38-G43 WeakPolarHBondContact OD2-CA 3.36Å; D38-G43 PolarHBondContact OD2-N 2.82Å; R41-G43 VanDerWaalsContact C-N 3.29Å; G43-N79 WeakPolarHBondContact O-CA 3.4Å |
| 44 | F | 95.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 37% | 0.373 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.1 | 176.9 | -58.4 | -91.5 | 0 | 0 | 0 | 110 | D42 P77 I78 N79 | D42-F44 WeakPolarHBondContact O-CD2 3.44Å; D42-F44 WeakPolarHBondContact OD1-CA 3.35Å; D42-F44 WeakPolarHBondContact OD1-CB 3.41Å; D42-F44 PolarHBondContact OD1-N 3.11Å; D42-F44 VanDerWaalsContact OD1-O 3.08Å; F44-P77 HydrophobicContact CD1-CB 3.72Å; F44-P77 HydrophobicContact CE1-CB 3.91Å; F44-I78 CarbonylContact C-O 3.6Å; F44-I78 VanDerWaalsContact CA-O 3.31Å; F44-I78 WeakPolarHBondContact CA-O 3.33Å; F44-N79 HydrophobicContact CD1-CB 3.86Å; F44-N79 HydrophobicContact CE1-CB 3.8Å |
| 45 | I | 94.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.6 | 171.2 | -64.8 | 169 | 0 | 0 | 0 | 108 | F34 M37 D49 L50 I78 F83 | F34-I45 HydrophobicContact CD2-CD1 3.49Å; F34-I45 VanDerWaalsContact CD2-CD1 3.49Å; F34-I45 HydrophobicContact CD2-CG1 4.14Å; F34-I45 HydrophobicContact CE2-CD1 3.44Å; F34-I45 VanDerWaalsContact CE2-CD1 3.44Å; F34-I45 HydrophobicContact CE2-CG1 3.65Å; F34-I45 HydrophobicContact CG-CD1 4.34Å; F34-I45 HydrophobicContact CZ-CD1 4.24Å; F34-I45 HydrophobicContact CZ-CG1 3.97Å; M37-I45 HydrophobicContact CB-CD1 3.8Å; M37-I45 HydrophobicContact CB-CG1 4.17Å; M37-I45 HydrophobicContact CE-CD1 4.11Å; M37-I45 HydrophobicContact CE-CG2 4.42Å; M37-I45 HydrophobicContact SD-CD1 4.11Å; I45-D49 HydrophobicContact CG2-CB 4.22Å; I45-L50 HydrophobicContact CG2-CD2 3.78Å; I45-L50 HydrophobicContact CG2-CG 3.84Å; I45-I78 HydrophobicContact CB-CB 4.17Å; I45-I78 HydrophobicContact CB-CG2 4.19Å; I45-I78 HydrophobicContact CD1-CG2 4.44Å; I45-I78 PolarHBondContact N-O 3.01Å; I45-F83 HydrophobicContact CD1-CD2 3.8Å; I45-F83 HydrophobicContact CD1-CE2 3.93Å |
| 46 | D | 93.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | trans | -108.6 | -173.6 | 174.4 | 79.5 | 25 | 0 | 0 | 0 | 113.1 | E48 D49 L50 | D46-E48 VanDerWaalsContact C-N 3.32Å; D46-E48 PolarHBondContact O-N 2.77Å; D46-E48 WeakPolarHBondContact OD1-CA 3.26Å; D46-E48 WeakPolarHBondContact OD1-CB 2.99Å; D46-E48 PolarHBondContact OD1-N 3.29Å; D46-D49 PolarHBondContact N-OD2 3Å; D46-D49 PolarHBondContact OD1-N 3Å; D46-L50 WeakPolarHBondContact O-CG 3.47Å; D46-L50 PolarHBondContact O-N 3.48Å; D46-L50 VanDerWaalsContact O-N 3.11Å | ||
| 47 | K | 93.9 | Very high | 92.2 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | -177.6 | -176.2 | -177.4 | 179.2 | 177.9 | 0 | 112.4 | R51 L67 E68 | K47-R51 PolarHBondContact O-N 3.13Å; K47-R51 VanDerWaalsContact O-N 3.08Å; K47-L67 HydrophobicContact CG-CB 3.84Å; K47-L67 HydrophobicContact CG-CD1 4.28Å; K47-E68 HydrophobicContact CD-CG 4Å; K47-E68 IonicContact NZ-OE1 2.75Å; K47-E68 PolarHBondContact NZ-OE1 3.48Å |
| 48 | E | 92.9 | Very high | 91.8 | Very high | 98 Ų | 98 | 64.5 Ų | 64.5 | 46% | 0.458 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.9 | -40.1 | -179.5 | -61.5 | -60.4 | 118.1 | 0 | 0 | 109.9 | D46 L50 R51 D52 | D46-E48 VanDerWaalsContact C-N 3.32Å; D46-E48 PolarHBondContact O-N 2.77Å; D46-E48 WeakPolarHBondContact OD1-CA 3.26Å; D46-E48 WeakPolarHBondContact OD1-CB 2.99Å; D46-E48 PolarHBondContact OD1-N 3.29Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 3.13Å; E48-R51 WeakPolarHBondContact O-CB 3.47Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 VanDerWaalsContact O-N 3.09Å; E48-R51 IonicContact OE1-NE 3.69Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 IonicContact OE2-NE 3.74Å; E48-D52 PolarHBondContact O-N 2.86Å |
| 49 | D | 94.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57 | -44.9 | 171.8 | -68.3 | -50.2 | 0 | 0 | 0 | 112.2 | M37 Q39 N40 I45 D46 D52 T53 | M37-D49 WeakPolarHBondContact O-CB 3.35Å; Q39-D49 PolarHBondContact N-OD1 2.56Å; Q39-D49 VanDerWaalsContact N-OD1 3.11Å; N40-D49 PolarHBondContact N-OD1 2.87Å; I45-D49 HydrophobicContact CG2-CB 4.22Å; D46-D49 PolarHBondContact N-OD2 3Å; D46-D49 PolarHBondContact OD1-N 3Å; D49-D52 PolarHBondContact O-N 3.04Å; D49-T53 WeakPolarHBondContact O-CB 3.48Å; D49-T53 PolarHBondContact O-N 3.37Å; D49-T53 PolarHBondContact O-OG1 3.4Å |
| 50 | L | 92.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.9 | -70.7 | 177.9 | 0 | 0 | 0 | 111.9 | M37 I45 D46 E48 D52 T53 F54 L67 M70 V71 | M37-L50 HydrophobicContact CE-CD2 3.47Å; M37-L50 VanDerWaalsContact CE-CD2 3.47Å; I45-L50 HydrophobicContact CG2-CD2 3.78Å; I45-L50 HydrophobicContact CG2-CG 3.84Å; D46-L50 WeakPolarHBondContact O-CG 3.47Å; D46-L50 PolarHBondContact O-N 3.48Å; D46-L50 VanDerWaalsContact O-N 3.11Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 3.13Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 2.95Å; L50-T53 PolarHBondContact O-N 2.84Å; L50-F54 WeakPolarHBondContact O-CD2 3.47Å; L50-F54 PolarHBondContact O-N 3.08Å; L50-L67 HydrophobicContact CB-CD2 3.92Å; L50-M70 HydrophobicContact CD1-CB 4.04Å; L50-M70 HydrophobicContact CD2-CE 4.48Å; L50-V71 HydrophobicContact CD1-CG2 3.65Å |
| 51 | R | 92.8 | Very high | 90.7 | Very high | 74 Ų | 74 | 73.2 Ų | 73.2 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 177.6 | -174.9 | -167.4 | -62.8 | -82.1 | -4.2 | 110.6 | K47 E48 F54 A55 N64 L67 | K47-R51 PolarHBondContact O-N 3.13Å; K47-R51 VanDerWaalsContact O-N 3.08Å; E48-R51 WeakPolarHBondContact O-CB 3.47Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 VanDerWaalsContact O-N 3.09Å; E48-R51 IonicContact OE1-NE 3.69Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 IonicContact OE2-NE 3.74Å; R51-F54 PolarHBondContact O-N 3.09Å; R51-A55 WeakPolarHBondContact O-CB 3.47Å; R51-A55 PolarHBondContact O-N 2.72Å; R51-N64 PolarHBondContact NH1-OD1 2.85Å; R51-N64 PolarHBondContact NH2-OD1 2.74Å; R51-L67 HydrophobicContact CB-CD1 3.87Å; R51-L67 HydrophobicContact CG-CD1 4.31Å |
| 52 | D | 91.9 | Very high | 90.5 | Very high | 79 Ų | 79 | 64 Ų | 64 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | -178.9 | -71.8 | -15.8 | 0 | 0 | 0 | 111.2 | Q39 E48 D49 L50 A55 A56 | Q39-D52 HydrophobicContact CG-CB 4.02Å; E48-D52 PolarHBondContact O-N 2.86Å; D49-D52 PolarHBondContact O-N 3.04Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 2.95Å; D52-A55 PolarHBondContact O-N 3.38Å; D52-A56 WeakPolarHBondContact O-CB 3.31Å; D52-A56 PolarHBondContact O-N 2.95Å |
| 53 | T | 91.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -49.9 | 173 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | M37 D49 L50 A55 A56 L57 | M37-T53 WeakPolarHBondContact CA-OG1 3.48Å; M37-T53 HydrophobicContact CG-CG2 3.93Å; D49-T53 WeakPolarHBondContact O-CB 3.48Å; D49-T53 PolarHBondContact O-N 3.37Å; D49-T53 PolarHBondContact O-OG1 3.4Å; L50-T53 PolarHBondContact O-N 2.84Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-A55 PolarHBondContact O-N 2.75Å; T53-A56 WeakPolarHBondContact O-CB 3.41Å; T53-A56 PolarHBondContact O-N 3.08Å; T53-L57 HydrophobicContact CG2-CD1 4.44Å; T53-L57 WeakPolarHBondContact O-CG 3.48Å; T53-L57 PolarHBondContact O-N 3.18Å; T53-L57 VanDerWaalsContact O-N 3.12Å |
| 54 | F | 89.9 | Confident | 90.2 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 17% | 0.167 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.6 | -37 | 178.2 | -81.2 | -63.9 | 0 | 0 | 0 | 112.5 | L50 R51 A56 L57 G58 R59 V62 L67 M70 | L50-F54 WeakPolarHBondContact O-CD2 3.47Å; L50-F54 PolarHBondContact O-N 3.08Å; R51-F54 PolarHBondContact O-N 3.09Å; F54-A56 VanDerWaalsContact C-N 3.35Å; F54-L57 CarbonylContact O-C 3.49Å; F54-L57 PolarHBondContact O-N 3.21Å; F54-G58 PolarHBondContact O-N 3.12Å; F54-R59 CarbonylContact C-O 3.57Å; F54-R59 HydrophobicContact CB-CB 4.36Å; F54-R59 HydrophobicContact CD1-CB 4.38Å; F54-R59 CarbonylContact O-C 3.55Å; F54-R59 WeakPolarHBondContact O-CA 3.1Å; F54-R59 PolarHBondContact O-N 2.99Å; F54-V62 HydrophobicContact CB-CG2 3.72Å; F54-V62 HydrophobicContact CD1-CG2 4.19Å; F54-V62 HydrophobicContact CD2-CG1 4.46Å; F54-V62 HydrophobicContact CD2-CG2 3.99Å; F54-V62 HydrophobicContact CG-CG2 3.72Å; F54-L67 HydrophobicContact CD2-CD2 3.7Å; F54-L67 HydrophobicContact CE2-CD2 3.85Å; F54-M70 HydrophobicContact CE2-CE 3.83Å; F54-M70 HydrophobicContact CE2-SD 3.61Å; F54-M70 HydrophobicContact CZ-CE 3.73Å; F54-M70 HydrophobicContact CZ-SD 3.77Å |
| 55 | A | 89.6 | Confident | 90 | Very high | 42 Ų | 42 | 71.1 Ų | 71.1 | 35% | 0.347 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R51 D52 T53 L57 G58 I60 | R51-A55 WeakPolarHBondContact O-CB 3.47Å; R51-A55 PolarHBondContact O-N 2.72Å; D52-A55 PolarHBondContact O-N 3.38Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-A55 PolarHBondContact O-N 2.75Å; A55-L57 PolarHBondContact O-N 2.99Å; A55-G58 PolarHBondContact O-N 2.76Å; A55-I60 HydrophobicContact CB-CG2 4.34Å |
| 56 | A | 87.4 | Confident | 89.9 | Confident | 83 Ų | 83 | 74.2 Ų | 74.2 | 69% | 0.686 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63 | -30.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D52 T53 F54 G58 | D52-A56 WeakPolarHBondContact O-CB 3.31Å; D52-A56 PolarHBondContact O-N 2.95Å; T53-A56 WeakPolarHBondContact O-CB 3.41Å; T53-A56 PolarHBondContact O-N 3.08Å; F54-A56 VanDerWaalsContact C-N 3.35Å; A56-G58 VanDerWaalsContact C-N 3.26Å; A56-G58 PolarHBondContact O-N 3.16Å |
| 57 | L | 85.4 | Confident | 89.7 | Confident | 137 Ų | 137 | 71.3 Ų | 71.3 | 72% | 0.717 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 5.8 | 173.7 | -62.6 | 174.4 | 0 | 0 | 0 | 113.6 | T53 F54 A55 R59 | T53-L57 HydrophobicContact CG2-CD1 4.44Å; T53-L57 WeakPolarHBondContact O-CG 3.48Å; T53-L57 PolarHBondContact O-N 3.18Å; T53-L57 VanDerWaalsContact O-N 3.12Å; F54-L57 CarbonylContact O-C 3.49Å; F54-L57 PolarHBondContact O-N 3.21Å; A55-L57 PolarHBondContact O-N 2.99Å; L57-R59 VanDerWaalsContact C-N 3.35Å |
| 58 | G | 85.5 | Confident | 89.6 | Confident | 61 Ų | 61 | 73 Ų | 73 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 1.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | F54 A55 A56 I60 | F54-G58 PolarHBondContact O-N 3.12Å; A55-G58 PolarHBondContact O-N 2.76Å; A56-G58 VanDerWaalsContact C-N 3.26Å; A56-G58 PolarHBondContact O-N 3.16Å; G58-I60 PolarHBondContact O-N 2.74Å |
| 59 | R | 86.8 | Confident | 89.5 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 42% | 0.419 | 39% | 0.386 | S | S | . | . | trans | -96.4 | 75.8 | 177.6 | -163.4 | -177.4 | -179.6 | -140.5 | -3.4 | 110.6 | F54 L57 N61 V62 E66 | F54-R59 CarbonylContact C-O 3.57Å; F54-R59 HydrophobicContact CB-CB 4.36Å; F54-R59 HydrophobicContact CD1-CB 4.38Å; F54-R59 CarbonylContact O-C 3.55Å; F54-R59 WeakPolarHBondContact O-CA 3.1Å; F54-R59 PolarHBondContact O-N 2.99Å; L57-R59 VanDerWaalsContact C-N 3.35Å; R59-N61 PolarHBondContact O-N 3.37Å; R59-V62 HydrophobicContact CB-CG2 4.38Å; R59-V62 HydrophobicContact CG-CG2 3.75Å; R59-V62 WeakPolarHBondContact O-CG2 3.48Å; R59-E66 IonicContact CZ-OE1 3.24Å; R59-E66 VanDerWaalsContact CZ-OE1 3.24Å; R59-E66 IonicContact NH1-OE1 2.94Å; R59-E66 PolarHBondContact NH1-OE1 2.93Å; R59-E66 IonicContact NH2-OE1 2.8Å; R59-E66 PolarHBondContact NH2-OE1 3.05Å; R59-E66 IonicContact NH2-OE2 3.22Å; R59-E66 PolarHBondContact NH2-OE2 2.89Å | ||
| 60 | I | 82.3 | Confident | 89.3 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.7 | -173.7 | 59.3 | 173.2 | 0 | 0 | 0 | 115.4 | A55 G58 | A55-I60 HydrophobicContact CB-CG2 4.34Å; G58-I60 PolarHBondContact O-N 2.74Å |
| 61 | N | 83.4 | Confident | 89.2 | Confident | 144 Ų | 144 | 75.6 Ų | 75.6 | 77% | 0.77 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 37.5 | -171.7 | -67.3 | -33.1 | 0 | 0 | 0 | 113.3 | R59 | R59-N61 PolarHBondContact O-N 3.37Š|
| 62 | V | 88.3 | Confident | 89.1 | Confident | 11 Ų | 11 | 79.4 Ų | 79.4 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | trans | -71.4 | 130.3 | 174.3 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | F54 R59 E66 L67 | F54-V62 HydrophobicContact CB-CG2 3.72Å; F54-V62 HydrophobicContact CD1-CG2 4.19Å; F54-V62 HydrophobicContact CD2-CG1 4.46Å; F54-V62 HydrophobicContact CD2-CG2 3.99Å; F54-V62 HydrophobicContact CG-CG2 3.72Å; R59-V62 HydrophobicContact CB-CG2 4.38Å; R59-V62 HydrophobicContact CG-CG2 3.75Å; R59-V62 WeakPolarHBondContact O-CG2 3.48Å; V62-E66 HydrophobicContact CG1-CB 4.08Å; V62-E66 HydrophobicContact CG1-CG 4.13Å; V62-L67 HydrophobicContact CB-CD2 4.2Å; V62-L67 HydrophobicContact CB-CG 4.38Å; V62-L67 HydrophobicContact CG1-CD2 3.64Å; V62-L67 HydrophobicContact CG1-CG 3.82Å | ||
| 63 | K | 91.3 | Very high | 88.9 | Confident | 144 Ų | 144 | 81.8 Ų | 81.8 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | trans | -70.9 | 147 | -178.4 | -68.7 | -177.8 | -178 | 175.6 | 0 | 111 | E65 E66 L67 | K63-E65 PolarHBondContact O-N 2.61Å; K63-E66 HydrophobicContact CB-CB 4.37Å; K63-E66 WeakPolarHBondContact O-CB 3.47Å; K63-E66 PolarHBondContact O-N 2.73Å; K63-E66 VanDerWaalsContact O-N 3.07Å; K63-L67 PolarHBondContact O-N 2.96Å | ||
| 64 | N | 90.2 | Very high | 88.7 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59 | -36.9 | 178.7 | -79.4 | 5.9 | 0 | 0 | 0 | 112.6 | R51 E66 E68 | R51-N64 PolarHBondContact NH1-OD1 2.85Å; R51-N64 PolarHBondContact NH2-OD1 2.74Å; N64-E66 VanDerWaalsContact C-N 3.31Å; N64-E68 WeakPolarHBondContact O-CB 3.35Å; N64-E68 WeakPolarHBondContact O-CG 3.49Å; N64-E68 PolarHBondContact O-N 3.4Å |
| 65 | E | 92.6 | Very high | 88.4 | Confident | 135 Ų | 135 | 85.8 Ų | 85.8 | 63% | 0.631 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67 | -33.7 | 178.6 | -59.8 | 79.6 | -172.5 | 0 | 0 | 111.9 | K63 A69 | K63-E65 PolarHBondContact O-N 2.61Å; E65-A69 WeakPolarHBondContact O-CB 3.31Å; E65-A69 PolarHBondContact O-N 3.22Å |
| 66 | E | 90.9 | Very high | 88.3 | Confident | 71 Ų | 71 | 85.3 Ų | 85.3 | 33% | 0.332 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70 | -46.6 | 177.9 | -171.1 | 178.5 | 156.8 | 0 | 0 | 110.5 | R59 V62 K63 N64 E68 A69 M70 | R59-E66 IonicContact CZ-OE1 3.24Å; R59-E66 VanDerWaalsContact CZ-OE1 3.24Å; R59-E66 IonicContact NH1-OE1 2.94Å; R59-E66 PolarHBondContact NH1-OE1 2.93Å; R59-E66 IonicContact NH2-OE1 2.8Å; R59-E66 PolarHBondContact NH2-OE1 3.05Å; R59-E66 IonicContact NH2-OE2 3.22Å; R59-E66 PolarHBondContact NH2-OE2 2.89Å; V62-E66 HydrophobicContact CG1-CB 4.08Å; V62-E66 HydrophobicContact CG1-CG 4.13Å; K63-E66 HydrophobicContact CB-CB 4.37Å; K63-E66 WeakPolarHBondContact O-CB 3.47Å; K63-E66 PolarHBondContact O-N 2.73Å; K63-E66 VanDerWaalsContact O-N 3.07Å; N64-E66 VanDerWaalsContact C-N 3.31Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 2.8Å; E66-A69 WeakPolarHBondContact O-CB 3.48Å; E66-A69 PolarHBondContact O-N 3.4Å; E66-M70 WeakPolarHBondContact O-CG 3.44Å; E66-M70 PolarHBondContact O-N 3.15Å |
| 67 | L | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.3 | -60.5 | 173.5 | 0 | 0 | 0 | 111.7 | K47 L50 R51 F54 V62 K63 A69 M70 V71 | K47-L67 HydrophobicContact CG-CB 3.84Å; K47-L67 HydrophobicContact CG-CD1 4.28Å; L50-L67 HydrophobicContact CB-CD2 3.92Å; R51-L67 HydrophobicContact CB-CD1 3.87Å; R51-L67 HydrophobicContact CG-CD1 4.31Å; F54-L67 HydrophobicContact CD2-CD2 3.7Å; F54-L67 HydrophobicContact CE2-CD2 3.85Å; V62-L67 HydrophobicContact CB-CD2 4.2Å; V62-L67 HydrophobicContact CB-CG 4.38Å; V62-L67 HydrophobicContact CG1-CD2 3.64Å; V62-L67 HydrophobicContact CG1-CG 3.82Å; K63-L67 PolarHBondContact O-N 2.96Å; L67-A69 VanDerWaalsContact C-N 3.35Å; L67-M70 PolarHBondContact O-N 2.82Å; L67-V71 WeakPolarHBondContact O-CG2 3.46Å; L67-V71 PolarHBondContact O-N 3.2Å |
| 68 | E | 91.4 | Very high | 89 | Confident | 80 Ų | 80 | 80 Ų | 80 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 175.6 | -80.2 | -179.2 | -153.6 | 0 | 0 | 113 | K47 N64 E66 M70 K72 | K47-E68 HydrophobicContact CD-CG 4Å; K47-E68 IonicContact NZ-OE1 2.75Å; K47-E68 PolarHBondContact NZ-OE1 3.48Å; N64-E68 WeakPolarHBondContact O-CB 3.35Å; N64-E68 WeakPolarHBondContact O-CG 3.49Å; N64-E68 PolarHBondContact O-N 3.4Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 2.8Å; E68-M70 VanDerWaalsContact C-N 3.32Å; E68-K72 VanDerWaalsContact O-CB 3.31Å; E68-K72 WeakPolarHBondContact O-CB 3.39Å; E68-K72 WeakPolarHBondContact O-CD 3.47Å; E68-K72 VanDerWaalsContact O-CG 3.22Å; E68-K72 WeakPolarHBondContact O-CG 3.09Å; E68-K72 PolarHBondContact O-N 3.19Å; E68-K72 IonicContact OE2-NZ 2.76Å |
| 69 | A | 91.2 | Very high | 89.3 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 45% | 0.446 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E65 E66 L67 K72 E73 | E65-A69 WeakPolarHBondContact O-CB 3.31Å; E65-A69 PolarHBondContact O-N 3.22Å; E66-A69 WeakPolarHBondContact O-CB 3.48Å; E66-A69 PolarHBondContact O-N 3.4Å; L67-A69 VanDerWaalsContact C-N 3.35Å; A69-K72 CarbonylContact O-C 3.48Å; A69-K72 PolarHBondContact O-N 2.91Å; A69-E73 PolarHBondContact O-N 2.69Å; A69-E73 VanDerWaalsContact O-N 3.08Å |
| 70 | M | 89.2 | Confident | 89.6 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 32% | 0.32 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 177.2 | -67.4 | 177.6 | 71.3 | 0 | 0 | 112.3 | L50 F54 E66 L67 E68 K72 E73 | L50-M70 HydrophobicContact CD1-CB 4.04Å; L50-M70 HydrophobicContact CD2-CE 4.48Å; F54-M70 HydrophobicContact CE2-CE 3.83Å; F54-M70 HydrophobicContact CE2-SD 3.61Å; F54-M70 HydrophobicContact CZ-CE 3.73Å; F54-M70 HydrophobicContact CZ-SD 3.77Å; E66-M70 WeakPolarHBondContact O-CG 3.44Å; E66-M70 PolarHBondContact O-N 3.15Å; L67-M70 PolarHBondContact O-N 2.82Å; E68-M70 VanDerWaalsContact C-N 3.32Å; M70-K72 PolarHBondContact O-N 3.17Å; M70-E73 WeakPolarHBondContact O-CB 3.36Å; M70-E73 PolarHBondContact O-N 3.05Å |
| 71 | V | 90.9 | Very high | 90 | Very high | 46 Ų | 46 | 73.6 Ų | 73.6 | 28% | 0.279 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 177.1 | 178 | 0 | 0 | 0 | 0 | 111.2 | L50 L67 E73 A74 | L50-V71 HydrophobicContact CD1-CG2 3.65Å; L67-V71 WeakPolarHBondContact O-CG2 3.46Å; L67-V71 PolarHBondContact O-N 3.2Å; V71-E73 VanDerWaalsContact C-N 3.33Å; V71-E73 PolarHBondContact O-N 2.84Å; V71-A74 WeakPolarHBondContact O-CB 3.48Å; V71-A74 PolarHBondContact O-N 3.32Å |
| 72 | K | 90.6 | Very high | 90.4 | Very high | 155 Ų | 155 | 68.1 Ų | 68.1 | 67% | 0.674 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -74.7 | -14.9 | 177.8 | -76.9 | 171.6 | -177.9 | 162.5 | 0 | 114.4 | E68 A69 M70 A74 | E68-K72 VanDerWaalsContact O-CB 3.31Å; E68-K72 WeakPolarHBondContact O-CB 3.39Å; E68-K72 WeakPolarHBondContact O-CD 3.47Å; E68-K72 VanDerWaalsContact O-CG 3.22Å; E68-K72 WeakPolarHBondContact O-CG 3.09Å; E68-K72 PolarHBondContact O-N 3.19Å; E68-K72 IonicContact OE2-NZ 2.76Å; A69-K72 CarbonylContact O-C 3.48Å; A69-K72 PolarHBondContact O-N 2.91Å; M70-K72 PolarHBondContact O-N 3.17Å; K72-A74 PolarHBondContact O-N 3.3Å |
| 73 | E | 87.4 | Confident | 90.4 | Very high | 129 Ų | 129 | 68 Ų | 68 | 60% | 0.603 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.6 | 168.9 | -68.4 | -165.4 | -170.8 | 0 | 0 | 111.2 | A69 M70 V71 K90 | A69-E73 PolarHBondContact O-N 2.69Å; A69-E73 VanDerWaalsContact O-N 3.08Å; M70-E73 WeakPolarHBondContact O-CB 3.36Å; M70-E73 PolarHBondContact O-N 3.05Å; V71-E73 VanDerWaalsContact C-N 3.33Å; V71-E73 PolarHBondContact O-N 2.84Å; E73-K90 IonicContact OE2-NZ 3.85Å; E73-K90 PolarHBondContact OE2-NZ 2.75Å |
| 74 | A | 87.4 | Confident | 90.3 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 12% | 0.124 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -74.2 | 138.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V71 K72 G76 I78 M86 | V71-A74 WeakPolarHBondContact O-CB 3.48Å; V71-A74 PolarHBondContact O-N 3.32Å; K72-A74 PolarHBondContact O-N 3.3Å; A74-G76 WeakPolarHBondContact CB-O 3.3Å; A74-G76 PolarHBondContact O-N 2.82Å; A74-G76 VanDerWaalsContact O-N 3.14Å; A74-I78 HydrophobicContact CB-CD1 3.96Å; A74-I78 HydrophobicContact CB-CG1 3.61Å; A74-M86 HydrophobicContact CB-CE 3Å |
| 75 | P | 83.2 | Confident | 90.2 | Very high | 124 Ų | 124 | 60 Ų | 60 | 81% | 0.805 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -69.4 | -6.3 | 170.8 | 30.2 | -34.9 | 0 | 0 | 0 | 113.1 | V82 | P75-V82 HydrophobicContact CG-CG1 4.42Š|
| 76 | G | 88.5 | Confident | 89.8 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 179.7 | -167 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A74 I78 | A74-G76 WeakPolarHBondContact CB-O 3.3Å; A74-G76 PolarHBondContact O-N 2.82Å; A74-G76 VanDerWaalsContact O-N 3.14Å; G76-I78 PolarHBondContact O-N 3.15Å |
| 77 | P | 91.5 | Very high | 89.4 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -54.4 | 131.4 | 177.3 | -25.3 | 34.7 | 0 | 0 | 0 | 112.3 | F44 N79 | F44-P77 HydrophobicContact CD1-CB 3.72Å; F44-P77 HydrophobicContact CE1-CB 3.91Å; P77-N79 VanDerWaalsContact C-N 3.33Å; P77-N79 PolarHBondContact O-N 3.4Å |
| 78 | I | 94.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 77.5 | -172.2 | -48 | -178.6 | 0 | 0 | 0 | 109.9 | F44 I45 A74 G76 F83 M86 | F44-I78 CarbonylContact C-O 3.6Å; F44-I78 VanDerWaalsContact CA-O 3.31Å; F44-I78 WeakPolarHBondContact CA-O 3.33Å; I45-I78 HydrophobicContact CB-CB 4.17Å; I45-I78 HydrophobicContact CB-CG2 4.19Å; I45-I78 HydrophobicContact CD1-CG2 4.44Å; I45-I78 PolarHBondContact N-O 3.01Å; A74-I78 HydrophobicContact CB-CD1 3.96Å; A74-I78 HydrophobicContact CB-CG1 3.61Å; G76-I78 PolarHBondContact O-N 3.15Å; I78-F83 HydrophobicContact CG2-CB 4.2Å; I78-F83 HydrophobicContact CG2-CD2 4.38Å; I78-M86 HydrophobicContact CD1-CE 4.1Å; I78-M86 HydrophobicContact CG1-CE 4.05Å; I78-M86 HydrophobicContact CG2-CE 4.42Å; I78-M86 HydrophobicContact CG2-SD 4.43Å |
| 79 | N | 93.6 | Very high | 88.3 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 171.9 | 165 | 64.4 | 38.5 | 0 | 0 | 0 | 111.1 | G43 F44 P77 T81 V82 F83 | G43-N79 WeakPolarHBondContact O-CA 3.4Å; F44-N79 HydrophobicContact CD1-CB 3.86Å; F44-N79 HydrophobicContact CE1-CB 3.8Å; P77-N79 VanDerWaalsContact C-N 3.33Å; P77-N79 PolarHBondContact O-N 3.4Å; N79-T81 PolarHBondContact O-N 2.9Å; N79-T81 VanDerWaalsContact O-N 3.13Å; N79-T81 WeakPolarHBondContact OD1-CB 3.39Å; N79-T81 PolarHBondContact OD1-N 3.13Å; N79-T81 VanDerWaalsContact OD1-N 3.13Å; N79-V82 PolarHBondContact O-N 2.74Å; N79-V82 WeakPolarHBondContact OD1-CG2 3.44Å; N79-V82 PolarHBondContact OD1-N 3.07Å; N79-F83 WeakPolarHBondContact O-CB 3.41Å; N79-F83 PolarHBondContact O-N 3.18Å |
| 80 | F | 92.5 | Very high | 87.4 | Confident | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.3 | -36.7 | -177.9 | -174.8 | -119.3 | 0 | 0 | 0 | 114.2 | F19 F30 K31 F34 F83 L84 | F19-F80 HydrophobicContact CE1-CE1 4.03Å; F19-F80 HydrophobicContact CZ-CD1 4.44Å; F19-F80 HydrophobicContact CZ-CE1 4.37Å; F30-F80 HydrophobicContact CB-CE2 4.18Å; F30-F80 HydrophobicContact CB-CZ 4.43Å; K31-F80 HydrophobicContact CB-CE2 4.01Å; K31-F80 HydrophobicContact CB-CZ 3.75Å; K31-F80 HydrophobicContact CG-CE2 4.5Å; K31-F80 HydrophobicContact CG-CZ 4.28Å; F34-F80 HydrophobicContact CB-CD2 3.76Å; F34-F80 HydrophobicContact CB-CE2 4.1Å; F34-F80 HydrophobicContact CD1-CB 4.46Å; F34-F80 HydrophobicContact CD1-CD2 4.29Å; F34-F80 HydrophobicContact CD2-CB 4.37Å; F34-F80 AromaticContact CD2-CD2 3.91Å; F34-F80 HydrophobicContact CD2-CD2 3.91Å; F34-F80 HydrophobicContact CE1-CB 4.41Å; F34-F80 HydrophobicContact CE2-CB 4.31Å; F34-F80 HydrophobicContact CG-CB 4.45Å; F34-F80 AromaticContact CG-CD2 3.71Å; F34-F80 HydrophobicContact CG-CD2 3.71Å; F34-F80 HydrophobicContact CZ-CB 4.34Å; F80-F83 WeakPolarHBondContact O-CB 3.43Å; F80-F83 PolarHBondContact O-N 3.26Å; F80-L84 HydrophobicContact CD1-CD1 4.17Å; F80-L84 HydrophobicContact CE1-CD1 3.61Å; F80-L84 HydrophobicContact CE1-CG 4.23Å; F80-L84 HydrophobicContact CE2-CD1 4.37Å; F80-L84 HydrophobicContact CE2-CD2 4.38Å; F80-L84 HydrophobicContact CE2-CG 4.13Å; F80-L84 HydrophobicContact CZ-CD1 3.72Å; F80-L84 HydrophobicContact CZ-CD2 4.2Å; F80-L84 HydrophobicContact CZ-CG 3.95Å; F80-L84 WeakPolarHBondContact O-CG 3.46Å; F80-L84 PolarHBondContact O-N 3.42Å |
| 81 | T | 91 | Very high | 86.4 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | V18 F19 N79 T85 | V18-T81 HydrophobicContact CG1-CG2 4.28Å; F19-T81 HydrophobicContact CE2-CG2 4.39Å; N79-T81 PolarHBondContact O-N 2.9Å; N79-T81 VanDerWaalsContact O-N 3.13Å; N79-T81 WeakPolarHBondContact OD1-CB 3.39Å; N79-T81 PolarHBondContact OD1-N 3.13Å; N79-T81 VanDerWaalsContact OD1-N 3.13Å; T81-T85 WeakPolarHBondContact O-CB 3.22Å; T81-T85 PolarHBondContact O-N 3.02Å; T81-T85 PolarHBondContact O-OG1 2.76Å |
| 82 | V | 90.2 | Very high | 85.2 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.9 | -42 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | P75 N79 T85 M86 | P75-V82 HydrophobicContact CG-CG1 4.42Å; N79-V82 PolarHBondContact O-N 2.74Å; N79-V82 WeakPolarHBondContact OD1-CG2 3.44Å; N79-V82 PolarHBondContact OD1-N 3.07Å; V82-T85 WeakPolarHBondContact O-CA 3.29Å; V82-T85 WeakPolarHBondContact O-CB 3.38Å; V82-T85 PolarHBondContact O-N 3.06Å; V82-M86 HydrophobicContact CG1-CE 3.77Å; V82-M86 HydrophobicContact CG1-SD 4.42Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 3.32Å |
| 83 | F | 90.1 | Very high | 84 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 4% | 0.044 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.6 | -54.8 | 173.6 | -176.5 | -96.8 | 0 | 0 | 0 | 110.9 | F30 F34 M37 I45 I78 N79 F80 T85 M86 F87 | F30-F83 HydrophobicContact CB-CE1 4.34Å; F30-F83 HydrophobicContact CD1-CE1 4.02Å; F34-F83 HydrophobicContact CB-CE1 4.47Å; F34-F83 HydrophobicContact CD2-CB 3.9Å; F34-F83 HydrophobicContact CD2-CD1 4.06Å; F34-F83 HydrophobicContact CD2-CD2 4.05Å; F34-F83 AromaticContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CE2-CB 4.06Å; F34-F83 HydrophobicContact CE2-CG 4.35Å; M37-F83 HydrophobicContact SD-CE2 3.82Å; M37-F83 HydrophobicContact SD-CZ 4.11Å; I45-F83 HydrophobicContact CD1-CD2 3.8Å; I45-F83 HydrophobicContact CD1-CE2 3.93Å; I78-F83 HydrophobicContact CG2-CB 4.2Å; I78-F83 HydrophobicContact CG2-CD2 4.38Å; N79-F83 WeakPolarHBondContact O-CB 3.41Å; N79-F83 PolarHBondContact O-N 3.18Å; F80-F83 WeakPolarHBondContact O-CB 3.43Å; F80-F83 PolarHBondContact O-N 3.26Å; F83-T85 PolarHBondContact O-N 3.02Å; F83-M86 PolarHBondContact O-N 3.18Å; F83-F87 AromaticContact CD1-CD2 3.98Å; F83-F87 HydrophobicContact CD1-CD2 3.98Å; F83-F87 HydrophobicContact CD1-CE2 4.13Å; F83-F87 HydrophobicContact CD2-CD2 4.3Å; F83-F87 AromaticContact CD2-CE2 3.87Å; F83-F87 HydrophobicContact CD2-CE2 3.87Å; F83-F87 AromaticContact CE1-CD2 3.82Å; F83-F87 HydrophobicContact CE1-CD2 3.82Å; F83-F87 AromaticContact CE1-CE2 3.67Å; F83-F87 HydrophobicContact CE1-CE2 3.67Å; F83-F87 HydrophobicContact CE2-CD2 4.18Å; F83-F87 AromaticContact CE2-CE2 3.39Å; F83-F87 HydrophobicContact CE2-CE2 3.39Å; F83-F87 HydrophobicContact CE2-CZ 4.25Å; F83-F87 HydrophobicContact CG-CD2 4.22Å; F83-F87 HydrophobicContact CG-CE2 4.22Å; F83-F87 AromaticContact CZ-CD2 3.93Å; F83-F87 HydrophobicContact CZ-CD2 3.93Å; F83-F87 AromaticContact CZ-CE2 3.27Å; F83-F87 HydrophobicContact CZ-CE2 3.27Å; F83-F87 AromaticContact CZ-CZ 3.98Å; F83-F87 HydrophobicContact CZ-CZ 3.98Å; F83-F87 VanDerWaalsContact O-CD2 3.31Å; F83-F87 WeakPolarHBondContact O-CD2 3.45Å; F83-F87 PolarHBondContact O-N 2.96Å; F83-F87 VanDerWaalsContact O-N 3.08Å |
| 84 | L | 89 | Confident | 83.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -34.3 | 174.8 | -75.7 | 179.8 | 0 | 0 | 0 | 112.8 | V18 F19 F22 F30 F80 G88 | V18-L84 HydrophobicContact CG1-CB 4.29Å; V18-L84 HydrophobicContact CG2-CB 4.1Å; V18-L84 WeakPolarHBondContact CG2-O 3.3Å; F19-L84 HydrophobicContact CD1-CD1 3.77Å; F19-L84 HydrophobicContact CE1-CD1 3.27Å; F19-L84 HydrophobicContact CE2-CD1 4.45Å; F19-L84 HydrophobicContact CZ-CD1 3.67Å; F22-L84 HydrophobicContact CD2-CD2 4.35Å; F22-L84 HydrophobicContact CE2-CD2 4.3Å; F22-L84 WeakPolarHBondContact CE2-O 3.39Å; F30-L84 HydrophobicContact CB-CD2 3.58Å; F30-L84 HydrophobicContact CD2-CD2 3.51Å; F30-L84 HydrophobicContact CE2-CD2 4.36Å; F30-L84 HydrophobicContact CG-CD2 3.64Å; F80-L84 HydrophobicContact CD1-CD1 4.17Å; F80-L84 HydrophobicContact CE1-CD1 3.61Å; F80-L84 HydrophobicContact CE1-CG 4.23Å; F80-L84 HydrophobicContact CE2-CD1 4.37Å; F80-L84 HydrophobicContact CE2-CD2 4.38Å; F80-L84 HydrophobicContact CE2-CG 4.13Å; F80-L84 HydrophobicContact CZ-CD1 3.72Å; F80-L84 HydrophobicContact CZ-CD2 4.2Å; F80-L84 HydrophobicContact CZ-CG 3.95Å; F80-L84 WeakPolarHBondContact O-CG 3.46Å; F80-L84 PolarHBondContact O-N 3.42Å; L84-G88 WeakPolarHBondContact O-CA 3.38Å; L84-G88 PolarHBondContact O-N 3.39Å |
| 85 | T | 86.6 | Confident | 83 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 179.2 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | T81 V82 F83 G88 E89 | T81-T85 WeakPolarHBondContact O-CB 3.22Å; T81-T85 PolarHBondContact O-N 3.02Å; T81-T85 PolarHBondContact O-OG1 2.76Å; V82-T85 WeakPolarHBondContact O-CA 3.29Å; V82-T85 WeakPolarHBondContact O-CB 3.38Å; V82-T85 PolarHBondContact O-N 3.06Å; F83-T85 PolarHBondContact O-N 3.02Å; T85-G88 PolarHBondContact O-N 2.85Å; T85-E89 HydrophobicContact CG2-CG 4.37Å; T85-E89 WeakPolarHBondContact O-CB 3.42Å; T85-E89 WeakPolarHBondContact O-CG 3.35Å; T85-E89 PolarHBondContact O-N 3.33Å |
| 86 | M | 85.4 | Confident | 83 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 17% | 0.172 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 174.9 | -67 | 164.5 | 169.6 | 0 | 0 | 112.1 | A74 I78 V82 F83 G88 E89 K90 | A74-M86 HydrophobicContact CB-CE 3Å; I78-M86 HydrophobicContact CD1-CE 4.1Å; I78-M86 HydrophobicContact CG1-CE 4.05Å; I78-M86 HydrophobicContact CG2-CE 4.42Å; I78-M86 HydrophobicContact CG2-SD 4.43Å; V82-M86 HydrophobicContact CG1-CE 3.77Å; V82-M86 HydrophobicContact CG1-SD 4.42Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 3.32Å; F83-M86 PolarHBondContact O-N 3.18Å; M86-G88 VanDerWaalsContact C-N 3.32Å; M86-E89 PolarHBondContact O-N 3.22Å; M86-K90 WeakPolarHBondContact O-CG 3.23Å; M86-K90 PolarHBondContact O-N 3.01Å |
| 87 | F | 82.7 | Confident | 82.8 | Confident | 81 Ų | 81 | 65 Ų | 65 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.5 | -81.2 | -82.6 | 0 | 0 | 0 | 110.8 | F22 F30 F83 E89 K90 L91 | F22-F87 HydrophobicContact CZ-CB 4.33Å; F30-F87 HydrophobicContact CD1-CG 4.36Å; F30-F87 HydrophobicContact CE1-CB 4Å; F30-F87 AromaticContact CE1-CD1 3.74Å; F30-F87 HydrophobicContact CE1-CD1 3.74Å; F30-F87 HydrophobicContact CE1-CD2 4.31Å; F30-F87 HydrophobicContact CE1-CE1 4.32Å; F30-F87 AromaticContact CE1-CG 3.73Å; F30-F87 HydrophobicContact CE1-CG 3.73Å; F30-F87 HydrophobicContact CZ-CB 4.11Å; F30-F87 HydrophobicContact CZ-CD1 4.35Å; F30-F87 HydrophobicContact CZ-CG 4.32Å; F83-F87 AromaticContact CD1-CD2 3.98Å; F83-F87 HydrophobicContact CD1-CD2 3.98Å; F83-F87 HydrophobicContact CD1-CE2 4.13Å; F83-F87 HydrophobicContact CD2-CD2 4.3Å; F83-F87 AromaticContact CD2-CE2 3.87Å; F83-F87 HydrophobicContact CD2-CE2 3.87Å; F83-F87 AromaticContact CE1-CD2 3.82Å; F83-F87 HydrophobicContact CE1-CD2 3.82Å; F83-F87 AromaticContact CE1-CE2 3.67Å; F83-F87 HydrophobicContact CE1-CE2 3.67Å; F83-F87 HydrophobicContact CE2-CD2 4.18Å; F83-F87 AromaticContact CE2-CE2 3.39Å; F83-F87 HydrophobicContact CE2-CE2 3.39Å; F83-F87 HydrophobicContact CE2-CZ 4.25Å; F83-F87 HydrophobicContact CG-CD2 4.22Å; F83-F87 HydrophobicContact CG-CE2 4.22Å; F83-F87 AromaticContact CZ-CD2 3.93Å; F83-F87 HydrophobicContact CZ-CD2 3.93Å; F83-F87 AromaticContact CZ-CE2 3.27Å; F83-F87 HydrophobicContact CZ-CE2 3.27Å; F83-F87 AromaticContact CZ-CZ 3.98Å; F83-F87 HydrophobicContact CZ-CZ 3.98Å; F83-F87 VanDerWaalsContact O-CD2 3.31Å; F83-F87 WeakPolarHBondContact O-CD2 3.45Å; F83-F87 PolarHBondContact O-N 2.96Å; F83-F87 VanDerWaalsContact O-N 3.08Å; F87-E89 PolarHBondContact O-N 3.22Å; F87-K90 PolarHBondContact O-N 3.27Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.08Å; F87-L91 WeakPolarHBondContact O-CG 3.39Å; F87-L91 PolarHBondContact O-N 3.48Å |
| 88 | G | 80.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L84 T85 M86 L91 K92 | L84-G88 WeakPolarHBondContact O-CA 3.38Å; L84-G88 PolarHBondContact O-N 3.39Å; T85-G88 PolarHBondContact O-N 2.85Å; M86-G88 VanDerWaalsContact C-N 3.32Å; G88-L91 CarbonylContact O-C 3.44Å; G88-L91 PolarHBondContact O-N 3.48Å; G88-K92 WeakPolarHBondContact O-CA 3.43Å; G88-K92 WeakPolarHBondContact O-CB 3.49Å; G88-K92 PolarHBondContact O-N 3.08Å |
| 89 | E | 78.9 | Confident | 82.3 | Confident | 136 Ų | 136 | 70.2 Ų | 70.2 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | 178.5 | -72.7 | -178.4 | 158.6 | 0 | 0 | 113.2 | T85 M86 F87 | T85-E89 HydrophobicContact CG2-CG 4.37Å; T85-E89 WeakPolarHBondContact O-CB 3.42Å; T85-E89 WeakPolarHBondContact O-CG 3.35Å; T85-E89 PolarHBondContact O-N 3.33Å; M86-E89 PolarHBondContact O-N 3.22Å; F87-E89 PolarHBondContact O-N 3.22Å |
| 90 | K | 72.4 | Confident | 82.1 | Confident | 147 Ų | 147 | 69 Ų | 69 | 64% | 0.639 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -71.7 | -30.8 | 175.7 | -70.8 | -172.5 | -163.2 | -113.2 | 0 | 112.7 | E73 M86 F87 | E73-K90 IonicContact OE2-NZ 3.85Å; E73-K90 PolarHBondContact OE2-NZ 2.75Å; M86-K90 WeakPolarHBondContact O-CG 3.23Å; M86-K90 PolarHBondContact O-N 3.01Å; F87-K90 PolarHBondContact O-N 3.27Å |
| 91 | L | 67.5 | Low | 82 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 38% | 0.382 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -92 | -10.9 | 177.8 | -64 | 171.5 | 0 | 0 | 0 | 112.9 | F22 F30 F87 G88 G93 T94 | F22-L91 HydrophobicContact CE1-CD1 3.9Å; F22-L91 HydrophobicContact CZ-CD1 4.4Å; F30-L91 HydrophobicContact CZ-CD1 4.17Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.08Å; F87-L91 WeakPolarHBondContact O-CG 3.39Å; F87-L91 PolarHBondContact O-N 3.48Å; G88-L91 CarbonylContact O-C 3.44Å; G88-L91 PolarHBondContact O-N 3.48Å; L91-G93 PolarHBondContact O-N 3.48Å; L91-T94 PolarHBondContact O-N 3.17Å |
| 92 | K | 66.2 | Low | 81.9 | Confident | 149 Ų | 149 | 70.3 Ų | 70.3 | 65% | 0.648 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 119.2 | -177.3 | -177.5 | 176.8 | -178.7 | -174.4 | 0 | 110 | G88 | G88-K92 WeakPolarHBondContact O-CA 3.43Å; G88-K92 WeakPolarHBondContact O-CB 3.49Å; G88-K92 PolarHBondContact O-N 3.08Å |
| 93 | G | 65.8 | Low | 81.8 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 83% | 0.825 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | -3.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L91 | L91-G93 PolarHBondContact O-N 3.48Š|
| 94 | T | 71.9 | Confident | 81.8 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 40% | 0.399 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 120.6 | 172.2 | -50.2 | 0 | 0 | 0 | 0 | 109.4 | L91 I100 T161 | L91-T94 PolarHBondContact O-N 3.17Å; T94-I100 HydrophobicContact CG2-CD1 4.22Å; T94-T161 HydrophobicContact CG2-CG2 4.15Å |
| 95 | D | 81.6 | Confident | 81.9 | Confident | 100 Ų | 100 | 77.5 Ų | 77.5 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 156.6 | 172.5 | -74.7 | -54.7 | 0 | 0 | 0 | 111.1 | T99 I100 | D95-T99 HydrophobicContact CB-CG2 4.06Å; D95-I100 HydrophobicContact CB-CD1 4.31Å; D95-I100 HydrophobicContact CB-CG1 3.81Å; D95-I100 VanDerWaalsContact O-CD1 3.29Å; D95-I100 WeakPolarHBondContact O-CD1 3.39Å |
| 96 | P | 82.1 | Confident | 82 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 145.5 | 172.5 | -24.4 | 33.4 | 0 | 0 | 0 | 111.8 | E98 T99 I100 | P96-E98 PolarHBondContact O-N 2.8Å; P96-E98 VanDerWaalsContact O-N 3.15Å; P96-T99 WeakPolarHBondContact O-CA 3.46Å; P96-T99 VanDerWaalsContact O-CB 3.3Å; P96-T99 WeakPolarHBondContact O-CB 3.18Å; P96-T99 PolarHBondContact O-N 3.25Å; P96-I100 PolarHBondContact O-N 3.24Å; P96-I100 VanDerWaalsContact O-N 3.13Å |
| 97 | E | 85.4 | Confident | 82.1 | Confident | 57 Ų | 57 | 82.8 Ų | 82.8 | 27% | 0.266 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -51.6 | -44.2 | -177.3 | -168.7 | -167.6 | 161 | 0 | 0 | 112 | T99 I100 L101 C157 T161 H162 | E97-T99 VanDerWaalsContact C-N 3.29Å; E97-T99 PolarHBondContact O-N 3.34Å; E97-I100 PolarHBondContact O-N 3.19Å; E97-L101 HydrophobicContact CG-CD1 3.96Å; E97-L101 HydrophobicContact CG-CG 4.25Å; E97-L101 WeakPolarHBondContact O-CB 3.5Å; E97-L101 WeakPolarHBondContact O-CG 3.33Å; E97-L101 PolarHBondContact O-N 3.01Å; E97-C157 HydrophobicContact CG-CB 4.06Å; E97-T161 HydrophobicContact CB-CG2 3.89Å; E97-T161 HydrophobicContact CG-CG2 4.35Å; E97-H162 IonicContact OE2-CE1 3.19Å; E97-H162 PolarHBondContact OE2-CE1 2.73Å; E97-H162 IonicContact OE2-ND1 2.61Å |
| 98 | E | 86.6 | Confident | 82.5 | Confident | 146 Ų | 146 | 79.4 Ų | 79.4 | 68% | 0.682 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.9 | -38.7 | 178.3 | -66.8 | -162.1 | 101.7 | 0 | 0 | 113 | P96 H102 | P96-E98 PolarHBondContact O-N 2.8Å; P96-E98 VanDerWaalsContact O-N 3.15Å; E98-H102 VanDerWaalsContact O-CB 3.3Å; E98-H102 WeakPolarHBondContact O-CB 3.41Å; E98-H102 PolarHBondContact O-CD2 3.1Å; E98-H102 VanDerWaalsContact O-CG 3.3Å; E98-H102 PolarHBondContact O-N 3.14Å |
| 99 | T | 88.8 | Confident | 82.7 | Confident | 72 Ų | 72 | 85.5 Ų | 85.5 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | D95 P96 E97 H102 A103 | D95-T99 HydrophobicContact CB-CG2 4.06Å; P96-T99 WeakPolarHBondContact O-CA 3.46Å; P96-T99 VanDerWaalsContact O-CB 3.3Å; P96-T99 WeakPolarHBondContact O-CB 3.18Å; P96-T99 PolarHBondContact O-N 3.25Å; E97-T99 VanDerWaalsContact C-N 3.29Å; E97-T99 PolarHBondContact O-N 3.34Å; T99-H102 PolarHBondContact O-N 3.39Å; T99-A103 PolarHBondContact O-N 2.94Å |
| 100 | I | 88.7 | Confident | 83.1 | Confident | 28 Ų | 28 | 85.8 Ų | 85.8 | 14% | 0.144 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 178.9 | -51.9 | 176.7 | 0 | 0 | 0 | 110.3 | T94 D95 P96 E97 H102 A103 F104 C157 I160 T161 | T94-I100 HydrophobicContact CG2-CD1 4.22Å; D95-I100 HydrophobicContact CB-CD1 4.31Å; D95-I100 HydrophobicContact CB-CG1 3.81Å; D95-I100 VanDerWaalsContact O-CD1 3.29Å; D95-I100 WeakPolarHBondContact O-CD1 3.39Å; P96-I100 PolarHBondContact O-N 3.24Å; P96-I100 VanDerWaalsContact O-N 3.13Å; E97-I100 PolarHBondContact O-N 3.19Å; I100-H102 VanDerWaalsContact C-N 3.29Å; I100-H102 PolarHBondContact O-N 2.98Å; I100-A103 WeakPolarHBondContact O-CB 3.22Å; I100-A103 PolarHBondContact O-N 3.04Å; I100-A103 VanDerWaalsContact O-N 3.1Å; I100-F104 HydrophobicContact CG2-CD2 4.13Å; I100-F104 HydrophobicContact CG2-CE2 3.93Å; I100-F104 WeakPolarHBondContact O-CD2 3.31Å; I100-F104 PolarHBondContact O-N 3Å; I100-F104 VanDerWaalsContact O-N 3.16Å; I100-C157 VanDerWaalsContact CG2-SG 3.56Å; I100-I160 HydrophobicContact CD1-CD1 3.65Å; I100-I160 HydrophobicContact CD1-CG1 4.29Å; I100-I160 HydrophobicContact CG2-CD1 4.03Å; I100-T161 HydrophobicContact CD1-CG2 4.11Å |
| 101 | L | 90.1 | Very high | 83.9 | Confident | 31 Ų | 31 | 80.7 Ų | 80.7 | 16% | 0.162 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 174.5 | -76.7 | 171.5 | 0 | 0 | 0 | 111.7 | E97 A103 F104 K105 Y153 R154 C157 | E97-L101 HydrophobicContact CG-CD1 3.96Å; E97-L101 HydrophobicContact CG-CG 4.25Å; E97-L101 WeakPolarHBondContact O-CB 3.5Å; E97-L101 WeakPolarHBondContact O-CG 3.33Å; E97-L101 PolarHBondContact O-N 3.01Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.1Å; L101-F104 PolarHBondContact O-N 3.12Å; L101-K105 WeakPolarHBondContact O-CG 3.38Å; L101-K105 PolarHBondContact O-N 3.4Å; L101-Y153 HydrophobicContact CD2-CD2 4.01Å; L101-Y153 HydrophobicContact CD2-CE2 4.04Å; L101-R154 HydrophobicContact CD2-CB 4.37Å; L101-R154 HydrophobicContact CD2-CG 4.1Å; L101-C157 HydrophobicContact CD2-CB 3.72Å; L101-C157 HydrophobicContact CG-CB 3.88Å |
| 102 | H | 89.1 | Confident | 84.9 | Confident | 106 Ų | 106 | 82 Ų | 82 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 177.3 | -83 | -159.6 | 0 | 0 | 0 | 112.6 | E98 T99 I100 F104 K105 | E98-H102 VanDerWaalsContact O-CB 3.3Å; E98-H102 WeakPolarHBondContact O-CB 3.41Å; E98-H102 PolarHBondContact O-CD2 3.1Å; E98-H102 VanDerWaalsContact O-CG 3.3Å; E98-H102 PolarHBondContact O-N 3.14Å; T99-H102 PolarHBondContact O-N 3.39Å; I100-H102 VanDerWaalsContact C-N 3.29Å; I100-H102 PolarHBondContact O-N 2.98Å; H102-F104 VanDerWaalsContact C-N 3.34Å; H102-K105 PolarHBondContact CD2-NZ 2.86Å; H102-K105 PolarHBondContact NE2-NZ 2.91Å; H102-K105 VanDerWaalsContact NE2-NZ 3.2Å; H102-K105 PolarHBondContact O-N 3.12Å |
| 103 | A | 89.4 | Confident | 86 | Confident | 56 Ų | 56 | 75 Ų | 75 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T99 I100 L101 V106 | T99-A103 PolarHBondContact O-N 2.94Å; I100-A103 WeakPolarHBondContact O-CB 3.22Å; I100-A103 PolarHBondContact O-N 3.04Å; I100-A103 VanDerWaalsContact O-N 3.1Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.1Å; A103-V106 WeakPolarHBondContact O-CB 3.39Å; A103-V106 PolarHBondContact O-N 2.73Å |
| 104 | F | 90 | Very high | 87.3 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 13% | 0.132 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.2 | -33.6 | 176.8 | -80.6 | -77.9 | 0 | 0 | 0 | 113.8 | I100 L101 H102 V106 F107 D108 I120 Y153 L156 | I100-F104 HydrophobicContact CG2-CD2 4.13Å; I100-F104 HydrophobicContact CG2-CE2 3.93Å; I100-F104 WeakPolarHBondContact O-CD2 3.31Å; I100-F104 PolarHBondContact O-N 3Å; I100-F104 VanDerWaalsContact O-N 3.16Å; L101-F104 PolarHBondContact O-N 3.12Å; H102-F104 VanDerWaalsContact C-N 3.34Å; F104-V106 PolarHBondContact O-N 2.95Å; F104-V106 VanDerWaalsContact O-N 3.08Å; F104-F107 PolarHBondContact O-N 2.96Å; F104-D108 PolarHBondContact O-N 3.2Å; F104-I120 HydrophobicContact CD1-CD1 4.04Å; F104-I120 HydrophobicContact CE1-CD1 3.72Å; F104-I120 HydrophobicContact CE1-CG1 4.39Å; F104-Y153 HydrophobicContact CB-CD1 4.19Å; F104-Y153 HydrophobicContact CB-CD2 3.39Å; F104-Y153 HydrophobicContact CB-CE2 3.83Å; F104-Y153 HydrophobicContact CB-CG 3.61Å; F104-Y153 HydrophobicContact CD1-CG 4.07Å; F104-Y153 HydrophobicContact CD2-CD2 4.33Å; F104-Y153 HydrophobicContact CD2-CG 4.46Å; F104-Y153 AromaticContact CG-CD2 3.9Å; F104-Y153 HydrophobicContact CG-CD2 3.9Å; F104-Y153 AromaticContact CG-CG 3.81Å; F104-Y153 HydrophobicContact CG-CG 3.81Å; F104-L156 HydrophobicContact CE2-CD2 4.37Å; F104-L156 HydrophobicContact CZ-CD2 3.92Å |
| 105 | K | 89.3 | Confident | 88.3 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.9 | -22.8 | 176.5 | -76.6 | 178.7 | -172 | 172 | 0 | 113.3 | L101 H102 F107 D108 | L101-K105 WeakPolarHBondContact O-CG 3.38Å; L101-K105 PolarHBondContact O-N 3.4Å; H102-K105 PolarHBondContact CD2-NZ 2.86Å; H102-K105 PolarHBondContact NE2-NZ 2.91Å; H102-K105 VanDerWaalsContact NE2-NZ 3.2Å; H102-K105 PolarHBondContact O-N 3.12Å; K105-F107 PolarHBondContact O-N 3.3Å; K105-D108 CarbonylContact O-C 3.5Å; K105-D108 PolarHBondContact O-N 2.78Å |
| 106 | V | 88.7 | Confident | 88.9 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.6 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | A103 F104 | A103-V106 WeakPolarHBondContact O-CB 3.39Å; A103-V106 PolarHBondContact O-N 2.73Å; F104-V106 PolarHBondContact O-N 2.95Å; F104-V106 VanDerWaalsContact O-N 3.08Å |
| 107 | F | 87.9 | Confident | 89.4 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -16 | 178.4 | -53.6 | -71.8 | 0 | 0 | 0 | 113.6 | F104 K105 V115 K123 | F104-F107 PolarHBondContact O-N 2.96Å; K105-F107 PolarHBondContact O-N 3.3Å; F107-V115 HydrophobicContact CB-CG1 3.96Å; F107-V115 HydrophobicContact CB-CG2 3.95Å; F107-K123 HydrophobicContact CE1-CD 4.24Å; F107-K123 HydrophobicContact CE1-CG 4.22Å; F107-K123 HydrophobicContact CZ-CG 4.49Å |
| 108 | D | 91 | Very high | 89.7 | Confident | 11 Ų | 11 | 72 Ų | 72 | 6% | 0.059 | 38% | 0.379 | C | S | . | . | trans | -116 | 70 | 180 | 177.7 | 25.9 | 0 | 0 | 0 | 110.2 | F104 K105 E110 G111 K112 G113 V115 Y153 | F104-D108 PolarHBondContact O-N 3.2Å; K105-D108 CarbonylContact O-C 3.5Å; K105-D108 PolarHBondContact O-N 2.78Å; D108-E110 PolarHBondContact O-N 3.29Å; D108-E110 VanDerWaalsContact O-N 3.15Å; D108-G111 PolarHBondContact O-N 3.49Å; D108-G111 PolarHBondContact OD1-N 3.04Å; D108-G111 VanDerWaalsContact OD1-N 3.12Å; D108-G111 WeakPolarHBondContact OD2-CA 3.43Å; D108-K112 VanDerWaalsContact CG-N 3.26Å; D108-K112 WeakPolarHBondContact OD1-CB 3.38Å; D108-K112 PolarHBondContact OD1-N 2.91Å; D108-K112 PolarHBondContact OD2-N 3.32Å; D108-G113 PolarHBondContact OD2-N 3.45Å; D108-V115 HydrophobicContact CB-CG2 3.95Å; D108-Y153 HydrophobicContact CB-CE1 3.85Å; D108-Y153 WeakPolarHBondContact OD2-CE1 3.41Å; D108-Y153 PolarHBondContact OD2-OH 2.95Å | ||
| 109 | T | 85.3 | Confident | 89.8 | Confident | 130 Ų | 130 | 67.7 Ų | 67.7 | 80% | 0.798 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -20.3 | -177.7 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 110 | E | 88.4 | Confident | 89.9 | Confident | 142 Ų | 142 | 64.7 Ų | 64.7 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.1 | 177.4 | -66.4 | 175.5 | 82.2 | 0 | 0 | 112.7 | D108 K112 | D108-E110 PolarHBondContact O-N 3.29Å; D108-E110 VanDerWaalsContact O-N 3.15Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 HydrophobicContact CB-CD 4.12Å; E110-K112 HydrophobicContact CB-CG 3.99Å; E110-K112 PolarHBondContact O-N 3.3Å; E110-K112 VanDerWaalsContact OE1-CE 3.24Å; E110-K112 WeakPolarHBondContact OE1-CE 3.35Å; E110-K112 IonicContact OE1-NZ 3.79Å; E110-K112 PolarHBondContact OE1-NZ 2.97Å; E110-K112 WeakPolarHBondContact OE2-CE 3.39Å; E110-K112 IonicContact OE2-NZ 2.74Å; E110-K112 PolarHBondContact OE2-NZ 3.45Å |
| 111 | G | 87.6 | Confident | 90 | Very high | 40 Ų | 40 | 66.8 Ų | 66.8 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | trans | 67.1 | 27.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D108 G113 R154 | D108-G111 PolarHBondContact O-N 3.49Å; D108-G111 PolarHBondContact OD1-N 3.04Å; D108-G111 VanDerWaalsContact OD1-N 3.12Å; D108-G111 WeakPolarHBondContact OD2-CA 3.43Å; G111-G113 PolarHBondContact O-N 3.23Å; G111-R154 PolarHBondContact O-NH2 2.91Å; G111-R154 VanDerWaalsContact O-NH2 3.12Å | ||
| 112 | K | 89.4 | Confident | 90.1 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | trans | -65.3 | -23.4 | -176.6 | -69.8 | 171.3 | 174.9 | 166.4 | 0 | 113.6 | D108 E110 F114 | D108-K112 VanDerWaalsContact CG-N 3.26Å; D108-K112 WeakPolarHBondContact OD1-CB 3.38Å; D108-K112 PolarHBondContact OD1-N 2.91Å; D108-K112 PolarHBondContact OD2-N 3.32Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 HydrophobicContact CB-CD 4.12Å; E110-K112 HydrophobicContact CB-CG 3.99Å; E110-K112 PolarHBondContact O-N 3.3Å; E110-K112 VanDerWaalsContact OE1-CE 3.24Å; E110-K112 WeakPolarHBondContact OE1-CE 3.35Å; E110-K112 IonicContact OE1-NZ 3.79Å; E110-K112 PolarHBondContact OE1-NZ 2.97Å; E110-K112 WeakPolarHBondContact OE2-CE 3.39Å; E110-K112 IonicContact OE2-NZ 2.74Å; E110-K112 PolarHBondContact OE2-NZ 3.45Å; K112-F114 HydrophobicContact CB-CD1 4.01Å; K112-F114 HydrophobicContact CB-CD2 4.34Å; K112-F114 HydrophobicContact CB-CE1 3.68Å; K112-F114 HydrophobicContact CB-CE2 4.02Å; K112-F114 HydrophobicContact CB-CG 4.35Å; K112-F114 HydrophobicContact CB-CZ 3.68Å; K112-F114 HydrophobicContact CD-CE2 3.9Å; K112-F114 HydrophobicContact CD-CZ 3.83Å; K112-F114 HydrophobicContact CG-CE1 4.49Å; K112-F114 HydrophobicContact CG-CZ 4.13Å | ||
| 113 | G | 89.8 | Confident | 90.1 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 87.7 | 4.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D108 G111 Y153 R154 | D108-G113 PolarHBondContact OD2-N 3.45Å; G111-G113 PolarHBondContact O-N 3.23Å; G113-Y153 WeakPolarHBondContact O-CD1 3.37Å; G113-Y153 WeakPolarHBondContact O-CE1 3.23Å; G113-R154 VanDerWaalsContact CA-NE 3.35Å |
| 114 | F | 92.6 | Very high | 90.1 | Very high | 82 Ų | 82 | 67.2 Ų | 67.2 | 36% | 0.36 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 154 | 176.9 | 55.3 | -101.2 | 0 | 0 | 0 | 111.9 | K112 N150 L151 Y153 | K112-F114 HydrophobicContact CB-CD1 4.01Å; K112-F114 HydrophobicContact CB-CD2 4.34Å; K112-F114 HydrophobicContact CB-CE1 3.68Å; K112-F114 HydrophobicContact CB-CE2 4.02Å; K112-F114 HydrophobicContact CB-CG 4.35Å; K112-F114 HydrophobicContact CB-CZ 3.68Å; K112-F114 HydrophobicContact CD-CE2 3.9Å; K112-F114 HydrophobicContact CD-CZ 3.83Å; K112-F114 HydrophobicContact CG-CE1 4.49Å; K112-F114 HydrophobicContact CG-CZ 4.13Å; F114-N150 HydrophobicContact CB-CB 4.03Å; F114-N150 HydrophobicContact CD2-CB 3.71Å; F114-N150 HydrophobicContact CE2-CB 4.47Å; F114-N150 HydrophobicContact CG-CB 4.06Å; F114-L151 CarbonylContact C-O 3.51Å; F114-L151 WeakPolarHBondContact CA-O 3.34Å; F114-L151 WeakPolarHBondContact CB-O 3.38Å; F114-Y153 VanDerWaalsContact N-CE1 3.31Å |
| 115 | V | 93.2 | Very high | 90.2 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151 | 177.3 | 179 | 0 | 0 | 0 | 0 | 109.2 | F107 D108 A117 V119 I120 N150 L151 Y153 | F107-V115 HydrophobicContact CB-CG1 3.96Å; F107-V115 HydrophobicContact CB-CG2 3.95Å; D108-V115 HydrophobicContact CB-CG2 3.95Å; V115-A117 PolarHBondContact O-N 3.35Å; V115-V119 HydrophobicContact CG1-CB 4.39Å; V115-V119 HydrophobicContact CG1-CG1 4.48Å; V115-I120 HydrophobicContact CB-CD1 4.21Å; V115-I120 HydrophobicContact CB-CG1 4.28Å; V115-I120 HydrophobicContact CG1-CD1 3.73Å; V115-I120 HydrophobicContact CG1-CG1 3.94Å; V115-N150 CarbonylContact O-C 3.59Å; V115-N150 WeakPolarHBondContact O-CA 3.39Å; V115-L151 PolarHBondContact N-O 3.46Å; V115-L151 PolarHBondContact O-N 2.87Å; V115-Y153 HydrophobicContact CG2-CD1 3.77Å; V115-Y153 HydrophobicContact CG2-CE1 4Å |
| 116 | K | 93.3 | Very high | 90.1 | Very high | 97 Ų | 97 | 67 Ų | 67 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 127.3 | 174.8 | -74.7 | -64.7 | -174.8 | -160.4 | 0 | 111.2 | D118 V119 I120 C148 N150 | K116-D118 PolarHBondContact O-N 3.18Å; K116-V119 HydrophobicContact CB-CB 4.36Å; K116-V119 HydrophobicContact CB-CG2 3.86Å; K116-V119 WeakPolarHBondContact O-CB 3.24Å; K116-V119 PolarHBondContact O-N 2.98Å; K116-I120 PolarHBondContact O-N 3.47Å; K116-C148 PolarHBondContact NZ-O 3.32Å; K116-N150 WeakPolarHBondContact CD-OD1 3.31Å; K116-N150 WeakPolarHBondContact CE-OD1 3.47Å; K116-N150 PolarHBondContact NZ-OD1 3.36Å |
| 117 | A | 92.2 | Very high | 89.8 | Confident | 6 Ų | 6 | 67 Ų | 67 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.5 | -37.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V115 V119 I120 K121 F140 P145 G149 | V115-A117 PolarHBondContact O-N 3.35Å; A117-V119 VanDerWaalsContact C-N 3.3Å; A117-V119 PolarHBondContact O-N 3.23Å; A117-I120 PolarHBondContact O-N 3.08Å; A117-K121 WeakPolarHBondContact O-CB 3.14Å; A117-K121 PolarHBondContact O-N 3.45Å; A117-F140 HydrophobicContact CB-CE1 4.16Å; A117-F140 HydrophobicContact CB-CE2 4.47Å; A117-F140 HydrophobicContact CB-CZ 3.96Å; A117-F140 WeakPolarHBondContact O-CZ 3.38Å; A117-P145 HydrophobicContact CB-CB 3.91Å; A117-P145 HydrophobicContact CB-CG 3.44Å; A117-P145 VanDerWaalsContact CB-CG 3.44Å; A117-G149 PolarHBondContact N-O 2.73Å |
| 118 | D | 92 | Very high | 89.6 | Confident | 126 Ų | 126 | 67.7 Ų | 67.7 | 67% | 0.674 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.3 | -36.5 | 176.2 | -67.3 | -35.4 | 0 | 0 | 0 | 112.8 | K116 K121 E122 | K116-D118 PolarHBondContact O-N 3.18Å; D118-K121 PolarHBondContact O-N 3.38Å; D118-E122 WeakPolarHBondContact O-CB 3.43Å; D118-E122 PolarHBondContact O-N 3Å |
| 119 | V | 90.3 | Very high | 89.2 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 177.3 | 176.1 | 0 | 0 | 0 | 0 | 110 | V115 K116 A117 E122 K123 | V115-V119 HydrophobicContact CG1-CB 4.39Å; V115-V119 HydrophobicContact CG1-CG1 4.48Å; K116-V119 HydrophobicContact CB-CB 4.36Å; K116-V119 HydrophobicContact CB-CG2 3.86Å; K116-V119 WeakPolarHBondContact O-CB 3.24Å; K116-V119 PolarHBondContact O-N 2.98Å; A117-V119 VanDerWaalsContact C-N 3.3Å; A117-V119 PolarHBondContact O-N 3.23Å; V119-E122 PolarHBondContact O-N 3.16Å; V119-K123 HydrophobicContact CG1-CG 4.49Å; V119-K123 WeakPolarHBondContact O-CG 3.4Å; V119-K123 PolarHBondContact O-N 3.37Å |
| 120 | I | 89.8 | Confident | 89.4 | Confident | 9 Ų | 9 | 76.7 Ų | 76.7 | 5% | 0.046 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | 176.8 | -60.8 | -53.4 | 0 | 0 | 0 | 110.6 | F104 V115 K116 A117 E122 K123 L124 M139 L151 | F104-I120 HydrophobicContact CD1-CD1 4.04Å; F104-I120 HydrophobicContact CE1-CD1 3.72Å; F104-I120 HydrophobicContact CE1-CG1 4.39Å; V115-I120 HydrophobicContact CB-CD1 4.21Å; V115-I120 HydrophobicContact CB-CG1 4.28Å; V115-I120 HydrophobicContact CG1-CD1 3.73Å; V115-I120 HydrophobicContact CG1-CG1 3.94Å; K116-I120 PolarHBondContact O-N 3.47Å; A117-I120 PolarHBondContact O-N 3.08Å; I120-E122 PolarHBondContact O-N 3.47Å; I120-K123 PolarHBondContact O-N 3.06Å; I120-L124 HydrophobicContact CG2-CD1 3.73Å; I120-L124 HydrophobicContact CG2-CG 4.16Å; I120-L124 WeakPolarHBondContact O-CB 3.5Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.35Å; I120-L124 PolarHBondContact O-N 3.1Å; I120-M139 HydrophobicContact CG2-CE 4.3Å; I120-L151 HydrophobicContact CG1-CD2 4.22Å; I120-L151 HydrophobicContact CG2-CD2 4.32Å |
| 121 | K | 91.3 | Very high | 89.4 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 31% | 0.313 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.1 | -50.2 | 175.4 | 173.8 | 169.5 | -178.3 | -177.2 | 0 | 112 | A117 D118 K123 L124 M125 V136 F140 | A117-K121 WeakPolarHBondContact O-CB 3.14Å; A117-K121 PolarHBondContact O-N 3.45Å; D118-K121 PolarHBondContact O-N 3.38Å; K121-K123 VanDerWaalsContact C-N 3.3Å; K121-K123 PolarHBondContact O-N 2.99Å; K121-L124 PolarHBondContact O-N 3.33Å; K121-M125 HydrophobicContact CD-SD 4.45Å; K121-M125 HydrophobicContact CG-SD 3.84Å; K121-M125 WeakPolarHBondContact O-CB 3.18Å; K121-M125 VanDerWaalsContact O-CG 3.3Å; K121-M125 WeakPolarHBondContact O-CG 3.39Å; K121-M125 PolarHBondContact O-N 3.35Å; K121-V136 HydrophobicContact CB-CG1 4.13Å; K121-V136 HydrophobicContact CD-CG1 4.27Å; K121-V136 HydrophobicContact CG-CG1 3.95Å; K121-F140 HydrophobicContact CB-CE2 3.99Å; K121-F140 HydrophobicContact CB-CZ 4.2Å; K121-F140 HydrophobicContact CD-CE2 4.47Å |
| 122 | E | 92.1 | Very high | 89.6 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 178.6 | -173.9 | -156.4 | 113.8 | 0 | 0 | 110.7 | D118 V119 I120 M125 T126 | D118-E122 WeakPolarHBondContact O-CB 3.43Å; D118-E122 PolarHBondContact O-N 3Å; V119-E122 PolarHBondContact O-N 3.16Å; I120-E122 PolarHBondContact O-N 3.47Å; E122-M125 PolarHBondContact O-N 3.32Å; E122-T126 HydrophobicContact CG-CG2 4.37Å; E122-T126 VanDerWaalsContact O-CB 3.3Å; E122-T126 WeakPolarHBondContact O-CB 3.5Å; E122-T126 VanDerWaalsContact O-CG2 3.23Å; E122-T126 WeakPolarHBondContact O-CG2 3.36Å; E122-T126 PolarHBondContact O-N 3.02Å; E122-T126 PolarHBondContact O-OG1 2.61Å |
| 123 | K | 89.5 | Confident | 89.6 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | -177.8 | -65.6 | -74.3 | 169.8 | -106.7 | 0 | 111.9 | F107 V119 I120 K121 M125 T126 Q127 | F107-K123 HydrophobicContact CE1-CD 4.24Å; F107-K123 HydrophobicContact CE1-CG 4.22Å; F107-K123 HydrophobicContact CZ-CG 4.49Å; V119-K123 HydrophobicContact CG1-CG 4.49Å; V119-K123 WeakPolarHBondContact O-CG 3.4Å; V119-K123 PolarHBondContact O-N 3.37Å; I120-K123 PolarHBondContact O-N 3.06Å; K121-K123 VanDerWaalsContact C-N 3.3Å; K121-K123 PolarHBondContact O-N 2.99Å; K123-M125 VanDerWaalsContact C-N 3.27Å; K123-M125 PolarHBondContact O-N 3.12Å; K123-T126 PolarHBondContact O-N 3.06Å; K123-Q127 VanDerWaalsContact CD-CD 3.49Å; K123-Q127 HydrophobicContact CD-CG 4.26Å; K123-Q127 VanDerWaalsContact CD-OE1 3.25Å; K123-Q127 WeakPolarHBondContact O-CB 3.48Å; K123-Q127 PolarHBondContact O-N 3.26Å |
| 124 | L | 88.9 | Confident | 89.7 | Confident | 45 Ų | 45 | 79 Ų | 79 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.1 | -30.3 | 177.6 | -69.5 | 176.1 | 0 | 0 | 0 | 113.1 | I120 K121 R130 F131 V136 M139 | I120-L124 HydrophobicContact CG2-CD1 3.73Å; I120-L124 HydrophobicContact CG2-CG 4.16Å; I120-L124 WeakPolarHBondContact O-CB 3.5Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.35Å; I120-L124 PolarHBondContact O-N 3.1Å; K121-L124 PolarHBondContact O-N 3.33Å; L124-R130 WeakPolarHBondContact O-CA 3.29Å; L124-F131 HydrophobicContact CB-CB 4.33Å; L124-F131 HydrophobicContact CB-CD1 4.42Å; L124-F131 HydrophobicContact CB-CG 4.35Å; L124-F131 HydrophobicContact CD2-CD1 4.22Å; L124-F131 HydrophobicContact CD2-CE1 4.2Å; L124-F131 PolarHBondContact O-N 3.23Å; L124-V136 HydrophobicContact CB-CG2 4.36Å; L124-M139 HydrophobicContact CD1-CE 4.46Å; L124-M139 HydrophobicContact CD1-SD 3.65Å |
| 125 | M | 91.1 | Very high | 89.6 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 30% | 0.296 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -91 | -14.9 | 179.9 | -64.9 | -176.4 | 76.4 | 0 | 0 | 113.8 | K121 E122 K123 R130 E133 V136 | K121-M125 HydrophobicContact CD-SD 4.45Å; K121-M125 HydrophobicContact CG-SD 3.84Å; K121-M125 WeakPolarHBondContact O-CB 3.18Å; K121-M125 VanDerWaalsContact O-CG 3.3Å; K121-M125 WeakPolarHBondContact O-CG 3.39Å; K121-M125 PolarHBondContact O-N 3.35Å; E122-M125 PolarHBondContact O-N 3.32Å; K123-M125 VanDerWaalsContact C-N 3.27Å; K123-M125 PolarHBondContact O-N 3.12Å; M125-R130 VanDerWaalsContact O-CD 3.31Å; M125-R130 WeakPolarHBondContact O-CD 3.22Å; M125-R130 WeakPolarHBondContact O-CG 3.43Å; M125-E133 HydrophobicContact CE-CB 3.96Å; M125-E133 HydrophobicContact CE-CG 4.31Å; M125-V136 HydrophobicContact CG-CG2 3.94Å; M125-V136 HydrophobicContact SD-CG2 4.41Å |
| 126 | T | 87.8 | Confident | 89.5 | Confident | 69 Ų | 69 | 79 Ų | 79 | 42% | 0.423 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -113.5 | -30.3 | -173.8 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | E122 K123 R130 | E122-T126 HydrophobicContact CG-CG2 4.37Å; E122-T126 VanDerWaalsContact O-CB 3.3Å; E122-T126 WeakPolarHBondContact O-CB 3.5Å; E122-T126 VanDerWaalsContact O-CG2 3.23Å; E122-T126 WeakPolarHBondContact O-CG2 3.36Å; E122-T126 PolarHBondContact O-N 3.02Å; E122-T126 PolarHBondContact O-OG1 2.61Å; K123-T126 PolarHBondContact O-N 3.06Å; T126-R130 PolarHBondContact O-NE 3.38Å |
| 127 | Q | 82.5 | Confident | 89.4 | Confident | 106 Ų | 106 | 79.3 Ų | 79.3 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -108.3 | 150.8 | -172 | -56.4 | -166.9 | -34.6 | 0 | 0 | 112.2 | K123 | K123-Q127 VanDerWaalsContact CD-CD 3.49Å; K123-Q127 HydrophobicContact CD-CG 4.26Å; K123-Q127 VanDerWaalsContact CD-OE1 3.25Å; K123-Q127 WeakPolarHBondContact O-CB 3.48Å; K123-Q127 PolarHBondContact O-N 3.26Å |
| 128 | A | 83.1 | Confident | 89.3 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 83% | 0.826 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 50 | -137.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R130 | A128-R130 PolarHBondContact O-N 2.94Š|
| 129 | D | 83.1 | Confident | 89.1 | Confident | 153 Ų | 153 | 81.2 Ų | 81.2 | 82% | 0.818 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -75.1 | 109.1 | 172 | -68.3 | -36.1 | 0 | 0 | 0 | 109.1 | ||
| 130 | R | 88.8 | Confident | 89.2 | Confident | 178 Ų | 178 | 80.4 Ų | 80.4 | 67% | 0.672 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 131 | -168 | -62.9 | 173.4 | -178.6 | 166.4 | 2 | 110.9 | L124 M125 T126 A128 | L124-R130 WeakPolarHBondContact O-CA 3.29Å; M125-R130 VanDerWaalsContact O-CD 3.31Å; M125-R130 WeakPolarHBondContact O-CD 3.22Å; M125-R130 WeakPolarHBondContact O-CG 3.43Å; T126-R130 PolarHBondContact O-NE 3.38Å; A128-R130 PolarHBondContact O-N 2.94Å |
| 131 | F | 88.6 | Confident | 89.2 | Confident | 89 Ų | 89 | 83.8 Ų | 83.8 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 141.2 | 169.2 | -76.5 | 52 | 0 | 0 | 0 | 109.4 | L124 E135 V136 | L124-F131 HydrophobicContact CB-CB 4.33Å; L124-F131 HydrophobicContact CB-CD1 4.42Å; L124-F131 HydrophobicContact CB-CG 4.35Å; L124-F131 HydrophobicContact CD2-CD1 4.22Å; L124-F131 HydrophobicContact CD2-CE1 4.2Å; L124-F131 PolarHBondContact O-N 3.23Å; F131-E135 HydrophobicContact CB-CB 4.26Å; F131-E135 HydrophobicContact CD2-CB 3.75Å; F131-E135 HydrophobicContact CG-CB 4.4Å; F131-V136 HydrophobicContact CB-CG2 3.7Å; F131-V136 HydrophobicContact CG-CG2 4.5Å |
| 132 | S | 92.8 | Very high | 88.9 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 160 | 164.6 | 65 | 0 | 0 | 0 | 0 | 110.6 | E134 E135 V136 | S132-E134 PolarHBondContact O-N 3.38Å; S132-E135 WeakPolarHBondContact CB-OE2 3.4Å; S132-E135 PolarHBondContact N-OE2 3.15Å; S132-E135 PolarHBondContact O-N 2.98Å; S132-E135 VanDerWaalsContact OG-CD 3.32Å; S132-E135 VanDerWaalsContact OG-CG 3.28Å; S132-E135 WeakPolarHBondContact OG-CG 3.18Å; S132-E135 PolarHBondContact OG-N 2.87Å; S132-E135 PolarHBondContact OG-OE2 3.14Å; S132-V136 PolarHBondContact O-N 3.33Å; S132-V136 VanDerWaalsContact O-N 3.15Å |
| 133 | E | 89.6 | Confident | 88.7 | Confident | 89 Ų | 89 | 79.9 Ų | 79.9 | 42% | 0.416 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.4 | -32.5 | 177.2 | -164.5 | -176.8 | 147.9 | 0 | 0 | 111.7 | M125 K137 | M125-E133 HydrophobicContact CE-CB 3.96Å; M125-E133 HydrophobicContact CE-CG 4.31Å; E133-K137 WeakPolarHBondContact O-CB 3.38Å; E133-K137 VanDerWaalsContact O-CG 3.29Å; E133-K137 WeakPolarHBondContact O-CG 3.25Å; E133-K137 PolarHBondContact O-N 2.95Å; E133-K137 WeakPolarHBondContact OE1-CE 3.5Å; E133-K137 IonicContact OE1-NZ 2.78Å; E133-K137 PolarHBondContact OE1-NZ 2.9Å |
| 134 | E | 91.9 | Very high | 88.8 | Confident | 104 Ų | 104 | 81.8 Ų | 81.8 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.3 | -39.5 | -179.4 | -79.9 | 44.9 | 86.8 | 0 | 0 | 111.7 | S132 K137 Q138 | S132-E134 PolarHBondContact O-N 3.38Å; E134-K137 PolarHBondContact O-N 2.78Å; E134-K137 IonicContact OE2-NZ 2.99Å; E134-K137 PolarHBondContact OE2-NZ 2.82Å; E134-Q138 VanDerWaalsContact O-CG 3.31Å; E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 2.76Å |
| 135 | E | 90.6 | Very high | 88.9 | Confident | 90 Ų | 90 | 81.8 Ų | 81.8 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 174.2 | -72.1 | 163 | 132.6 | 0 | 0 | 111.4 | F131 S132 Q138 M139 | F131-E135 HydrophobicContact CB-CB 4.26Å; F131-E135 HydrophobicContact CD2-CB 3.75Å; F131-E135 HydrophobicContact CG-CB 4.4Å; S132-E135 WeakPolarHBondContact CB-OE2 3.4Å; S132-E135 PolarHBondContact N-OE2 3.15Å; S132-E135 PolarHBondContact O-N 2.98Å; S132-E135 VanDerWaalsContact OG-CD 3.32Å; S132-E135 VanDerWaalsContact OG-CG 3.28Å; S132-E135 WeakPolarHBondContact OG-CG 3.18Å; S132-E135 PolarHBondContact OG-N 2.87Å; S132-E135 PolarHBondContact OG-OE2 3.14Å; E135-Q138 PolarHBondContact O-N 2.81Å; E135-M139 PolarHBondContact O-N 3.01Å |
| 136 | V | 90.8 | Very high | 89 | Confident | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.012 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | K121 L124 M125 F131 S132 Q138 M139 F140 | K121-V136 HydrophobicContact CB-CG1 4.13Å; K121-V136 HydrophobicContact CD-CG1 4.27Å; K121-V136 HydrophobicContact CG-CG1 3.95Å; L124-V136 HydrophobicContact CB-CG2 4.36Å; M125-V136 HydrophobicContact CG-CG2 3.94Å; M125-V136 HydrophobicContact SD-CG2 4.41Å; F131-V136 HydrophobicContact CB-CG2 3.7Å; F131-V136 HydrophobicContact CG-CG2 4.5Å; S132-V136 PolarHBondContact O-N 3.33Å; S132-V136 VanDerWaalsContact O-N 3.15Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.81Å; V136-M139 WeakPolarHBondContact O-CB 3.44Å; V136-M139 PolarHBondContact O-N 3.26Å; V136-F140 HydrophobicContact CG1-CD2 3.85Å; V136-F140 HydrophobicContact CG1-CE2 3.51Å; V136-F140 HydrophobicContact CG1-CZ 4.12Å; V136-F140 PolarHBondContact O-N 3.3Å |
| 137 | K | 89.7 | Confident | 89.1 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 45% | 0.452 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.9 | -78.4 | 170.7 | -172 | 152.7 | 0 | 111.5 | E133 E134 F140 A141 | E133-K137 WeakPolarHBondContact O-CB 3.38Å; E133-K137 VanDerWaalsContact O-CG 3.29Å; E133-K137 WeakPolarHBondContact O-CG 3.25Å; E133-K137 PolarHBondContact O-N 2.95Å; E133-K137 WeakPolarHBondContact OE1-CE 3.5Å; E133-K137 IonicContact OE1-NZ 2.78Å; E133-K137 PolarHBondContact OE1-NZ 2.9Å; E134-K137 PolarHBondContact O-N 2.78Å; E134-K137 IonicContact OE2-NZ 2.99Å; E134-K137 PolarHBondContact OE2-NZ 2.82Å; K137-F140 PolarHBondContact O-N 3Å; K137-A141 WeakPolarHBondContact O-CB 3.18Å; K137-A141 PolarHBondContact O-N 3.48Å |
| 138 | Q | 90.4 | Very high | 89.5 | Confident | 136 Ų | 136 | 85.3 Ų | 85.3 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 175.6 | -75.1 | 176.8 | -10.9 | 0 | 0 | 111.5 | E134 E135 V136 F140 A141 A142 | E134-Q138 VanDerWaalsContact O-CG 3.31Å; E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 2.76Å; E135-Q138 PolarHBondContact O-N 2.81Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.81Å; Q138-F140 PolarHBondContact O-N 3.43Å; Q138-A141 PolarHBondContact O-N 2.85Å; Q138-A142 PolarHBondContact O-N 3.3Å; Q138-A142 VanDerWaalsContact O-N 3.08Å |
| 139 | M | 89.3 | Confident | 90 | Very high | 36 Ų | 36 | 81.9 Ų | 81.9 | 18% | 0.177 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 174.9 | 179.3 | -172.5 | 168.9 | 0 | 0 | 111.6 | I120 L124 E135 V136 A141 A142 F143 L151 L156 | I120-M139 HydrophobicContact CG2-CE 4.3Å; L124-M139 HydrophobicContact CD1-CE 4.46Å; L124-M139 HydrophobicContact CD1-SD 3.65Å; E135-M139 PolarHBondContact O-N 3.01Å; V136-M139 WeakPolarHBondContact O-CB 3.44Å; V136-M139 PolarHBondContact O-N 3.26Å; M139-A141 VanDerWaalsContact C-N 3.31Å; M139-A141 PolarHBondContact O-N 3.26Å; M139-A142 PolarHBondContact O-N 3.08Å; M139-F143 PolarHBondContact O-N 3.45Å; M139-L151 HydrophobicContact CE-CD2 3.96Å; M139-L156 HydrophobicContact CE-CD1 4.44Å; M139-L156 HydrophobicContact CE-CD2 3.57Å |
| 140 | F | 90.9 | Very high | 90.5 | Very high | 38 Ų | 38 | 75.5 Ų | 75.5 | 17% | 0.167 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -75 | -17.7 | 178.9 | -65.7 | -34.4 | 0 | 0 | 0 | 114.2 | A117 K121 V136 K137 Q138 F143 P144 P145 L151 | A117-F140 HydrophobicContact CB-CE1 4.16Å; A117-F140 HydrophobicContact CB-CE2 4.47Å; A117-F140 HydrophobicContact CB-CZ 3.96Å; A117-F140 WeakPolarHBondContact O-CZ 3.38Å; K121-F140 HydrophobicContact CB-CE2 3.99Å; K121-F140 HydrophobicContact CB-CZ 4.2Å; K121-F140 HydrophobicContact CD-CE2 4.47Å; V136-F140 HydrophobicContact CG1-CD2 3.85Å; V136-F140 HydrophobicContact CG1-CE2 3.51Å; V136-F140 HydrophobicContact CG1-CZ 4.12Å; V136-F140 PolarHBondContact O-N 3.3Å; K137-F140 PolarHBondContact O-N 3Å; Q138-F140 PolarHBondContact O-N 3.43Å; F140-F143 CarbonylContact O-C 3.37Å; F140-P144 WeakPolarHBondContact O-CA 3.31Å; F140-P145 HydrophobicContact CD1-CG 4.35Å; F140-L151 HydrophobicContact CD1-CD1 4.41Å; F140-L151 HydrophobicContact CE1-CD1 4.39Å; F140-L151 HydrophobicContact CE1-CD2 4.22Å |
| 141 | A | 90.2 | Very high | 90.7 | Very high | 80 Ų | 80 | 67.2 Ų | 67.2 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -71.5 | -38.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | K137 Q138 M139 | K137-A141 WeakPolarHBondContact O-CB 3.18Å; K137-A141 PolarHBondContact O-N 3.48Å; Q138-A141 PolarHBondContact O-N 2.85Å; M139-A141 VanDerWaalsContact C-N 3.31Å; M139-A141 PolarHBondContact O-N 3.26Å |
| 142 | A | 86.1 | Confident | 90.9 | Very high | 58 Ų | 58 | 67 Ų | 67 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.7 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q138 M139 P144 | Q138-A142 PolarHBondContact O-N 3.3Å; Q138-A142 VanDerWaalsContact O-N 3.08Å; M139-A142 PolarHBondContact O-N 3.08Å; A142-P144 WeakPolarHBondContact O-CD 3.46Å |
| 143 | F | 87.9 | Confident | 90.8 | Very high | 35 Ų | 35 | 64.6 Ų | 64.6 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -123.7 | 77.4 | -178.4 | -60.7 | -86.2 | 0 | 0 | 0 | 110.4 | M139 F140 L151 L156 V159 | M139-F143 PolarHBondContact O-N 3.45Å; F140-F143 CarbonylContact O-C 3.37Å; F143-L151 HydrophobicContact CB-CD1 4.14Å; F143-L151 WeakPolarHBondContact O-CD1 3.23Å; F143-L156 HydrophobicContact CB-CD1 4.27Å; F143-L156 HydrophobicContact CD1-CB 4.49Å; F143-L156 HydrophobicContact CD1-CD1 3.78Å; F143-L156 HydrophobicContact CD2-CD1 3.45Å; F143-L156 VanDerWaalsContact CD2-CD1 3.45Å; F143-L156 HydrophobicContact CE1-CD1 3.91Å; F143-L156 HydrophobicContact CE2-CD1 3.6Å; F143-L156 HydrophobicContact CG-CD1 3.55Å; F143-L156 HydrophobicContact CZ-CD1 3.81Å; F143-V159 HydrophobicContact CE1-CB 3.74Å; F143-V159 HydrophobicContact CE1-CG1 3.83Å; F143-V159 HydrophobicContact CE1-CG2 4.02Å; F143-V159 HydrophobicContact CZ-CB 3.82Å; F143-V159 HydrophobicContact CZ-CG1 3.52Å |
| 144 | P | 90.1 | Very high | 90.9 | Very high | 95 Ų | 95 | 66.5 Ų | 66.5 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | trans | -65.9 | 135.3 | -176.6 | 25.7 | -33.4 | 0 | 0 | 0 | 111.2 | F140 A142 | F140-P144 WeakPolarHBondContact O-CA 3.31Å; A142-P144 WeakPolarHBondContact O-CD 3.46Å | ||
| 145 | P | 92 | Very high | 90.7 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 29% | 0.286 | 37% | 0.368 | S | S | . | . | trans | -60.9 | 154.6 | 169 | -20.6 | 32.5 | 0 | 0 | 0 | 111.6 | A117 F140 N150 | A117-P145 HydrophobicContact CB-CB 3.91Å; A117-P145 HydrophobicContact CB-CG 3.44Å; A117-P145 VanDerWaalsContact CB-CG 3.44Å; F140-P145 HydrophobicContact CD1-CG 4.35Å; P145-N150 CarbonylContact C-O 3.54Å; P145-N150 VanDerWaalsContact CA-O 3.25Å; P145-N150 WeakPolarHBondContact CA-O 3.3Å | ||
| 146 | D | 91.8 | Very high | 90.6 | Very high | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | trans | -65.5 | 175.4 | 173.5 | 75.9 | 9.1 | 0 | 0 | 0 | 112.4 | C148 G149 N150 | D146-C148 PolarHBondContact O-N 3.31Å; D146-C148 VanDerWaalsContact OD1-C 3.23Å; D146-C148 WeakPolarHBondContact OD1-CA 3.48Å; D146-C148 VanDerWaalsContact OD1-CB 3.29Å; D146-C148 WeakPolarHBondContact OD1-CB 3.33Å; D146-C148 PolarHBondContact OD1-N 2.9Å; D146-G149 PolarHBondContact O-N 3.45Å; D146-G149 PolarHBondContact OD1-N 3.22Å; D146-N150 PolarHBondContact N-O 3.03Å; D146-N150 WeakPolarHBondContact OD1-CB 3.45Å; D146-N150 PolarHBondContact OD1-N 2.92Å; D146-N150 PolarHBondContact OD1-ND2 2.87Å; D146-N150 WeakPolarHBondContact OD2-CB 3.43Å; D146-N150 PolarHBondContact OD2-ND2 2.96Å | ||
| 147 | V | 90.6 | Very high | 90.5 | Very high | 154 Ų | 154 | 61.6 Ų | 61.6 | 93% | 0.933 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.9 | 178.1 | -63.2 | 0 | 0 | 0 | 0 | 114 | ||
| 148 | C | 91.6 | Very high | 90.4 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 55% | 0.554 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.6 | 177 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | K116 D146 N150 | K116-C148 PolarHBondContact NZ-O 3.32Å; D146-C148 PolarHBondContact O-N 3.31Å; D146-C148 VanDerWaalsContact OD1-C 3.23Å; D146-C148 WeakPolarHBondContact OD1-CA 3.48Å; D146-C148 VanDerWaalsContact OD1-CB 3.29Å; D146-C148 WeakPolarHBondContact OD1-CB 3.33Å; D146-C148 PolarHBondContact OD1-N 2.9Å; C148-N150 WeakPolarHBondContact CB-ND2 3.44Å |
| 149 | G | 92.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 55.5 Ų | 55.5 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 76 | 24.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A117 D146 | A117-G149 PolarHBondContact N-O 2.73Å; D146-G149 PolarHBondContact O-N 3.45Å; D146-G149 PolarHBondContact OD1-N 3.22Å |
| 150 | N | 93.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135.9 | 175.7 | -45.8 | -52.4 | 0 | 0 | 0 | 110.8 | F114 V115 K116 P145 D146 C148 | F114-N150 HydrophobicContact CB-CB 4.03Å; F114-N150 HydrophobicContact CD2-CB 3.71Å; F114-N150 HydrophobicContact CE2-CB 4.47Å; F114-N150 HydrophobicContact CG-CB 4.06Å; V115-N150 CarbonylContact O-C 3.59Å; V115-N150 WeakPolarHBondContact O-CA 3.39Å; K116-N150 WeakPolarHBondContact CD-OD1 3.31Å; K116-N150 WeakPolarHBondContact CE-OD1 3.47Å; K116-N150 PolarHBondContact NZ-OD1 3.36Å; P145-N150 CarbonylContact C-O 3.54Å; P145-N150 VanDerWaalsContact CA-O 3.25Å; P145-N150 WeakPolarHBondContact CA-O 3.3Å; D146-N150 PolarHBondContact N-O 3.03Å; D146-N150 WeakPolarHBondContact OD1-CB 3.45Å; D146-N150 PolarHBondContact OD1-N 2.92Å; D146-N150 PolarHBondContact OD1-ND2 2.87Å; D146-N150 WeakPolarHBondContact OD2-CB 3.43Å; D146-N150 PolarHBondContact OD2-ND2 2.96Å; C148-N150 WeakPolarHBondContact CB-ND2 3.44Å |
| 151 | L | 92.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.2 | 171.5 | -178.3 | 72.3 | 0 | 0 | 0 | 109.2 | F114 V115 I120 M139 F140 F143 Y153 L156 | F114-L151 CarbonylContact C-O 3.51Å; F114-L151 WeakPolarHBondContact CA-O 3.34Å; F114-L151 WeakPolarHBondContact CB-O 3.38Å; V115-L151 PolarHBondContact N-O 3.46Å; V115-L151 PolarHBondContact O-N 2.87Å; I120-L151 HydrophobicContact CG1-CD2 4.22Å; I120-L151 HydrophobicContact CG2-CD2 4.32Å; M139-L151 HydrophobicContact CE-CD2 3.96Å; F140-L151 HydrophobicContact CD1-CD1 4.41Å; F140-L151 HydrophobicContact CE1-CD1 4.39Å; F140-L151 HydrophobicContact CE1-CD2 4.22Å; F143-L151 HydrophobicContact CB-CD1 4.14Å; F143-L151 WeakPolarHBondContact O-CD1 3.23Å; L151-Y153 PolarHBondContact O-N 3.21Å; L151-Y153 VanDerWaalsContact O-N 3.14Å; L151-L156 HydrophobicContact CD2-CD2 4.24Å |
| 152 | D | 93.1 | Very high | 88.7 | Confident | 84 Ų | 84 | 59 Ų | 59 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 97.2 | 169.8 | -172.3 | -25.5 | 0 | 0 | 0 | 109.4 | R154 N155 L156 | D152-R154 VanDerWaalsContact C-N 3.28Å; D152-R154 PolarHBondContact O-N 3.43Å; D152-R154 WeakPolarHBondContact OD1-CB 3.3Å; D152-R154 PolarHBondContact OD1-N 3.23Å; D152-N155 HydrophobicContact CB-CB 4.23Å; D152-N155 PolarHBondContact OD1-N 2.89Å; D152-L156 PolarHBondContact O-N 3.04Å |
| 153 | Y | 91.5 | Very high | 88 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.1 | -20 | -179.3 | 68.1 | -98.8 | 0 | 0 | 0 | 112.3 | L101 F104 D108 G113 F114 V115 L151 C157 | L101-Y153 HydrophobicContact CD2-CD2 4.01Å; L101-Y153 HydrophobicContact CD2-CE2 4.04Å; F104-Y153 HydrophobicContact CB-CD1 4.19Å; F104-Y153 HydrophobicContact CB-CD2 3.39Å; F104-Y153 HydrophobicContact CB-CE2 3.83Å; F104-Y153 HydrophobicContact CB-CG 3.61Å; F104-Y153 HydrophobicContact CD1-CG 4.07Å; F104-Y153 HydrophobicContact CD2-CD2 4.33Å; F104-Y153 HydrophobicContact CD2-CG 4.46Å; F104-Y153 AromaticContact CG-CD2 3.9Å; F104-Y153 HydrophobicContact CG-CD2 3.9Å; F104-Y153 AromaticContact CG-CG 3.81Å; F104-Y153 HydrophobicContact CG-CG 3.81Å; D108-Y153 HydrophobicContact CB-CE1 3.85Å; D108-Y153 WeakPolarHBondContact OD2-CE1 3.41Å; D108-Y153 PolarHBondContact OD2-OH 2.95Å; G113-Y153 WeakPolarHBondContact O-CD1 3.37Å; G113-Y153 WeakPolarHBondContact O-CE1 3.23Å; F114-Y153 VanDerWaalsContact N-CE1 3.31Å; V115-Y153 HydrophobicContact CG2-CD1 3.77Å; V115-Y153 HydrophobicContact CG2-CE1 4Å; L151-Y153 PolarHBondContact O-N 3.21Å; L151-Y153 VanDerWaalsContact O-N 3.14Å; Y153-C157 WeakPolarHBondContact O-CB 3.42Å; Y153-C157 PolarHBondContact O-N 3.03Å; Y153-C157 PolarHBondContact O-SG 3.4Å |
| 154 | R | 90.5 | Very high | 87 | Confident | 129 Ų | 129 | 62.7 Ų | 62.7 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.4 | -48.1 | 178 | -63.3 | -176.4 | -179.3 | 176.2 | 6.8 | 109.6 | L101 G111 G113 D152 L156 C157 Y158 | L101-R154 HydrophobicContact CD2-CB 4.37Å; L101-R154 HydrophobicContact CD2-CG 4.1Å; G111-R154 PolarHBondContact O-NH2 2.91Å; G111-R154 VanDerWaalsContact O-NH2 3.12Å; G113-R154 VanDerWaalsContact CA-NE 3.35Å; D152-R154 VanDerWaalsContact C-N 3.28Å; D152-R154 PolarHBondContact O-N 3.43Å; D152-R154 WeakPolarHBondContact OD1-CB 3.3Å; D152-R154 PolarHBondContact OD1-N 3.23Å; R154-L156 VanDerWaalsContact C-N 3.32Å; R154-L156 PolarHBondContact O-N 3.44Å; R154-C157 PolarHBondContact O-N 3.35Å; R154-Y158 PolarHBondContact O-N 2.91Å |
| 155 | N | 89.1 | Confident | 85.1 | Confident | 83 Ų | 83 | 65 Ų | 65 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 174.4 | -172 | 55.1 | 0 | 0 | 0 | 111.5 | D152 C157 Y158 V159 | D152-N155 HydrophobicContact CB-CB 4.23Å; D152-N155 PolarHBondContact OD1-N 2.89Å; N155-C157 PolarHBondContact O-N 3.49Å; N155-Y158 PolarHBondContact O-N 2.64Å; N155-V159 WeakPolarHBondContact O-CG2 3.31Å; N155-V159 PolarHBondContact O-N 3.48Å |
| 156 | L | 89 | Confident | 82.8 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.6 | -49.1 | 173.8 | 179 | 69.2 | 0 | 0 | 0 | 111.6 | F104 M139 F143 L151 D152 R154 Y158 V159 I160 | F104-L156 HydrophobicContact CE2-CD2 4.37Å; F104-L156 HydrophobicContact CZ-CD2 3.92Å; M139-L156 HydrophobicContact CE-CD1 4.44Å; M139-L156 HydrophobicContact CE-CD2 3.57Å; F143-L156 HydrophobicContact CB-CD1 4.27Å; F143-L156 HydrophobicContact CD1-CB 4.49Å; F143-L156 HydrophobicContact CD1-CD1 3.78Å; F143-L156 HydrophobicContact CD2-CD1 3.45Å; F143-L156 VanDerWaalsContact CD2-CD1 3.45Å; F143-L156 HydrophobicContact CE1-CD1 3.91Å; F143-L156 HydrophobicContact CE2-CD1 3.6Å; F143-L156 HydrophobicContact CG-CD1 3.55Å; F143-L156 HydrophobicContact CZ-CD1 3.81Å; L151-L156 HydrophobicContact CD2-CD2 4.24Å; D152-L156 PolarHBondContact O-N 3.04Å; R154-L156 VanDerWaalsContact C-N 3.32Å; R154-L156 PolarHBondContact O-N 3.44Å; L156-Y158 VanDerWaalsContact C-N 3.33Å; L156-Y158 PolarHBondContact O-N 2.95Å; L156-V159 PolarHBondContact O-N 3.03Å; L156-I160 HydrophobicContact CD1-CG2 4.16Å; L156-I160 WeakPolarHBondContact O-CG1 3.33Å; L156-I160 WeakPolarHBondContact O-CG2 3.45Å; L156-I160 PolarHBondContact O-N 2.95Å |
| 157 | C | 88.6 | Confident | 80 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 179.9 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | E97 I100 L101 Y153 R154 N155 I160 T161 | E97-C157 HydrophobicContact CG-CB 4.06Å; I100-C157 VanDerWaalsContact CG2-SG 3.56Å; L101-C157 HydrophobicContact CD2-CB 3.72Å; L101-C157 HydrophobicContact CG-CB 3.88Å; Y153-C157 WeakPolarHBondContact O-CB 3.42Å; Y153-C157 PolarHBondContact O-N 3.03Å; Y153-C157 PolarHBondContact O-SG 3.4Å; R154-C157 PolarHBondContact O-N 3.35Å; N155-C157 PolarHBondContact O-N 3.49Å; C157-I160 VanDerWaalsContact O-CG1 3.23Å; C157-I160 WeakPolarHBondContact O-CG1 3.28Å; C157-T161 WeakPolarHBondContact O-CG2 3.15Å; C157-T161 PolarHBondContact O-N 3.3Å; C157-T161 PolarHBondContact O-OG1 2.91Å |
| 158 | Y | 86.2 | Confident | 79.5 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 35% | 0.345 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.7 | -51.1 | 176.1 | -179.2 | -100.2 | 0 | 0 | 0 | 111 | R154 N155 L156 I160 T161 H162 E165 | R154-Y158 PolarHBondContact O-N 2.91Å; N155-Y158 PolarHBondContact O-N 2.64Å; L156-Y158 VanDerWaalsContact C-N 3.33Å; L156-Y158 PolarHBondContact O-N 2.95Å; Y158-I160 PolarHBondContact O-N 3.29Å; Y158-T161 PolarHBondContact O-N 3.33Å; Y158-T161 VanDerWaalsContact O-N 3.15Å; Y158-T161 PolarHBondContact O-OG1 3.15Å; Y158-T161 VanDerWaalsContact O-OG1 3.05Å; Y158-H162 AromaticContact CD2-ND1 3.69Å; Y158-H162 HydrophobicContact CE1-CB 4.46Å; Y158-H162 HydrophobicContact CE2-CB 4.26Å; Y158-H162 AromaticContact CE2-CG 3.9Å; Y158-H162 AromaticContact CE2-ND1 3.94Å; Y158-H162 WeakPolarHBondContact O-CB 3.29Å; Y158-H162 PolarHBondContact O-N 3.21Å; Y158-H162 PolarHBondContact O-ND1 3.24Å; Y158-E165 PolarHBondContact OH-OE2 3.22Å |
| 159 | V | 84.7 | Confident | 78.9 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 14% | 0.139 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | -176.4 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | F143 N155 L156 T161 G163 E164 | F143-V159 HydrophobicContact CE1-CB 3.74Å; F143-V159 HydrophobicContact CE1-CG1 3.83Å; F143-V159 HydrophobicContact CE1-CG2 4.02Å; F143-V159 HydrophobicContact CZ-CB 3.82Å; F143-V159 HydrophobicContact CZ-CG1 3.52Å; N155-V159 WeakPolarHBondContact O-CG2 3.31Å; N155-V159 PolarHBondContact O-N 3.48Å; L156-V159 PolarHBondContact O-N 3.03Å; V159-T161 VanDerWaalsContact C-N 3.25Å; V159-T161 PolarHBondContact O-N 3.37Å; V159-G163 CarbonylContact O-C 3.57Å; V159-G163 WeakPolarHBondContact O-CA 3.38Å; V159-G163 PolarHBondContact O-N 3.27Å; V159-E164 HydrophobicContact CG1-CB 4.47Å; V159-E164 HydrophobicContact CG1-CG 3.68Å |
| 160 | I | 82.9 | Confident | 78.1 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.8 | -21.2 | 177.4 | 65.7 | -175.5 | 0 | 0 | 0 | 113.1 | I100 L156 C157 Y158 | I100-I160 HydrophobicContact CD1-CD1 3.65Å; I100-I160 HydrophobicContact CD1-CG1 4.29Å; I100-I160 HydrophobicContact CG2-CD1 4.03Å; L156-I160 HydrophobicContact CD1-CG2 4.16Å; L156-I160 WeakPolarHBondContact O-CG1 3.33Å; L156-I160 WeakPolarHBondContact O-CG2 3.45Å; L156-I160 PolarHBondContact O-N 2.95Å; C157-I160 VanDerWaalsContact O-CG1 3.23Å; C157-I160 WeakPolarHBondContact O-CG1 3.28Å; Y158-I160 PolarHBondContact O-N 3.29Å |
| 161 | T | 80.7 | Confident | 77.2 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -100 | -30.4 | -179.1 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | T94 E97 I100 C157 Y158 V159 | T94-T161 HydrophobicContact CG2-CG2 4.15Å; E97-T161 HydrophobicContact CB-CG2 3.89Å; E97-T161 HydrophobicContact CG-CG2 4.35Å; I100-T161 HydrophobicContact CD1-CG2 4.11Å; C157-T161 WeakPolarHBondContact O-CG2 3.15Å; C157-T161 PolarHBondContact O-N 3.3Å; C157-T161 PolarHBondContact O-OG1 2.91Å; Y158-T161 PolarHBondContact O-N 3.33Å; Y158-T161 VanDerWaalsContact O-N 3.15Å; Y158-T161 PolarHBondContact O-OG1 3.15Å; Y158-T161 VanDerWaalsContact O-OG1 3.05Å; V159-T161 VanDerWaalsContact C-N 3.25Å; V159-T161 PolarHBondContact O-N 3.37Å |
| 162 | H | 78.1 | Confident | 76.2 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -113.2 | -14 | -175.8 | -61.2 | 78.9 | 0 | 0 | 0 | 113.5 | E97 Y158 | E97-H162 IonicContact OE2-CE1 3.19Å; E97-H162 PolarHBondContact OE2-CE1 2.73Å; E97-H162 IonicContact OE2-ND1 2.61Å; Y158-H162 AromaticContact CD2-ND1 3.69Å; Y158-H162 HydrophobicContact CE1-CB 4.46Å; Y158-H162 HydrophobicContact CE2-CB 4.26Å; Y158-H162 AromaticContact CE2-CG 3.9Å; Y158-H162 AromaticContact CE2-ND1 3.94Å; Y158-H162 WeakPolarHBondContact O-CB 3.29Å; Y158-H162 PolarHBondContact O-N 3.21Å; Y158-H162 PolarHBondContact O-ND1 3.24Å |
| 163 | G | 70.9 | Confident | 75.1 | Confident | 34 Ų | 34 | 85.7 Ų | 85.7 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | trans | 90.3 | 173.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | V159 E165 | V159-G163 CarbonylContact O-C 3.57Å; V159-G163 WeakPolarHBondContact O-CA 3.38Å; V159-G163 PolarHBondContact O-N 3.27Å; G163-E165 PolarHBondContact O-N 2.71Å | ||
| 164 | E | 66.3 | Low | 73.9 | Confident | 135 Ų | 135 | 91.6 Ų | 91.6 | 63% | 0.631 | 45% | 0.448 | S | S | * | . | trans | -75.7 | 118.8 | 171.9 | -66.9 | -176.6 | 117.9 | 0 | 0 | 109.4 | V159 K166 | V159-E164 HydrophobicContact CG1-CB 4.47Å; V159-E164 HydrophobicContact CG1-CG 3.68Å; E164-K166 VanDerWaalsContact C-N 3.33Å; E164-K166 PolarHBondContact O-N 2.76Å | ||
| 165 | E | 51.3 | Low | 72.6 | Confident | 143 Ų | 143 | 88.8 Ų | 88.8 | 67% | 0.668 | 45% | 0.445 | S | S | * | . | trans | -65.9 | 98.5 | 160.1 | -82.7 | -178.3 | 97 | 0 | 0 | 107.4 | Y158 G163 D167 | Y158-E165 PolarHBondContact OH-OE2 3.22Å; G163-E165 PolarHBondContact O-N 2.71Å; E165-D167 PolarHBondContact O-N 2.78Å | ||
| 166 | K | 42.5 | Very low | 71.2 | Confident | 181 Ų | 181 | 89.3 Ų | 89.3 | 79% | 0.787 | 45% | 0.445 | S | S | * | . | trans | -77.5 | 95.6 | 165.3 | -74.3 | -175.8 | 178.3 | 175.8 | 0 | 107.6 | E164 | E164-K166 VanDerWaalsContact C-N 3.33Å; E164-K166 PolarHBondContact O-N 2.76Å | ||
| 167 | D | 33.8 | Very low | 69.6 | Low | 228 Ų | 228 | 96.5 Ų | 96.5 | 100% | 1.219 | 48% | 0.481 | S | S | * | . | trans | -54 | 0 | 155.9 | -74.3 | -67.4 | 0 | 0 | 0 | 111.4 | E165 | E165-D167 PolarHBondContact O-N 2.78Š|
Retrieved 167 of 167 residues in 74.5 ms
(Link to these results)