| 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 | 58.8 | Low | 51.8 | Low | 243 Ų | 243 | 169.1 Ų | 169.1 | 100% | 1.197 | 86% | 0.861 | S | S | * | * | 0 | 103.3 | 0 | -67.7 | -67.5 | -166.9 | 0 | 0 | 108.5 | |||||
| 2 | H | 47.9 | Very low | 52 | Low | 191 Ų | 191 | 170.5 Ų | 170.5 | 88% | 0.884 | 86% | 0.861 | S | S | * | * | trans | -69.8 | 130.4 | -179.4 | -71 | -52.4 | 0 | 0 | 0 | 112 | ||||
| 3 | K | 48.5 | Very low | 51.8 | Low | 208 Ų | 208 | 175.5 Ų | 175.5 | 90% | 0.904 | 86% | 0.863 | S | S | * | * | trans | -139.8 | 81 | 155.1 | -75.6 | -165 | 177.8 | -164.2 | 0 | 108.8 | F5 | K3-F5 PolarHBondContact O-N 3.35Š| ||
| 4 | Q | 56.2 | Low | 51.4 | Low | 185 Ų | 185 | 171 Ų | 171 | 86% | 0.864 | 86% | 0.858 | S | S | * | * | trans | -73.6 | 108.3 | 162.9 | -96.9 | 169.4 | -4.8 | 0 | 0 | 107.4 | L6 | Q4-L6 PolarHBondContact O-N 2.99Š| ||
| 5 | F | 51.5 | Low | 51.3 | Low | 194 Ų | 194 | 169.8 Ų | 169.8 | 85% | 0.851 | 85% | 0.854 | S | S | * | * | trans | -79.6 | 96.6 | 179.9 | -162.2 | -99.7 | 0 | 0 | 0 | 108 | K3 P7 | K3-F5 PolarHBondContact O-N 3.35Å; F5-P7 WeakPolarHBondContact O-CD 3.24Å | ||
| 6 | L | 47.3 | Very low | 51.6 | Low | 153 Ų | 153 | 163.5 Ų | 163.5 | 80% | 0.801 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119 | 171.6 | -75.4 | 161.9 | 0 | 0 | 0 | 108.7 | Q4 K8 | Q4-L6 PolarHBondContact O-N 2.99Å; L6-K8 PolarHBondContact O-N 3.17Å |
| 7 | P | 55.2 | Low | 51.5 | Low | 111 Ų | 111 | 162.9 Ų | 162.9 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 123.5 | 173.4 | 27.2 | -30.8 | 0 | 0 | 0 | 108.4 | F5 V9 | F5-P7 WeakPolarHBondContact O-CD 3.24Å; P7-V9 PolarHBondContact O-N 3.09Å |
| 8 | K | 58.2 | Low | 51.7 | Low | 199 Ų | 199 | 163.8 Ų | 163.8 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 120.9 | 175.3 | -67.8 | 178.1 | 179 | 178.9 | 0 | 108.5 | L6 C10 | L6-K8 PolarHBondContact O-N 3.17Å; K8-C10 PolarHBondContact O-N 3.14Å |
| 9 | V | 50.4 | Low | 51.9 | Low | 130 Ų | 130 | 161.3 Ų | 161.3 | 79% | 0.788 | 83% | 0.827 | S | S | * | * | trans | -49.5 | 103 | 160.9 | -76.2 | 0 | 0 | 0 | 0 | 108.4 | P7 T11 | P7-V9 PolarHBondContact O-N 3.09Å; V9-T11 PolarHBondContact O-N 2.92Å | ||
| 10 | C | 45.5 | Very low | 52 | Low | 132 Ų | 132 | 158.5 Ų | 158.5 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | trans | -79.8 | 84.3 | 171.4 | -156.6 | 0 | 0 | 0 | 0 | 105.9 | K8 Q12 | K8-C10 PolarHBondContact O-N 3.14Å; C10-Q12 PolarHBondContact O-N 3.44Å | ||
| 11 | T | 50.2 | Low | 52.1 | Low | 114 Ų | 114 | 159.3 Ų | 159.3 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | trans | -50.9 | 125.2 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | V9 R13 | V9-T11 PolarHBondContact O-N 2.92Å; T11-R13 PolarHBondContact O-N 3.12Å | ||
| 12 | Q | 54.2 | Low | 52.1 | Low | 186 Ų | 186 | 158.2 Ų | 158.2 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -37.8 | 105.2 | 173.5 | -78.8 | 169.7 | -34.2 | 0 | 0 | 110.4 | C10 S14 | C10-Q12 PolarHBondContact O-N 3.44Å; Q12-S14 PolarHBondContact O-N 3.32Å | ||
| 13 | R | 49.2 | Very low | 52.6 | Low | 235 Ų | 235 | 154 Ų | 154 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -67.9 | 97.9 | 159.9 | -77.7 | -177.1 | 171.2 | -176 | -3.4 | 105.7 | T11 L15 | T11-R13 PolarHBondContact O-N 3.12Å; R13-L15 PolarHBondContact O-N 2.94Å | ||
| 14 | S | 46.5 | Very low | 53.6 | Low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -42.3 | 108.6 | 162.8 | 173.1 | 0 | 0 | 0 | 0 | 107.7 | Q12 A16 | Q12-S14 PolarHBondContact O-N 3.32Å; S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 2.97Å | ||
| 15 | L | 49.4 | Very low | 54.4 | Low | 153 Ų | 153 | 147.1 Ų | 147.1 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 93.3 | 178.3 | -147.8 | 91.7 | 0 | 0 | 0 | 105.3 | R13 I17 | R13-L15 PolarHBondContact O-N 2.94Å; L15-I17 PolarHBondContact O-N 3.39Å | ||
| 16 | A | 56.1 | Low | 55.3 | Low | 69 Ų | 69 | 143.5 Ų | 143.5 | 57% | 0.57 | 78% | 0.781 | S | S | * | * | trans | -60 | 108.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | S14 F18 | S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 2.97Å; A16-F18 VanDerWaalsContact C-N 3.27Å; A16-F18 HydrophobicContact CB-CE2 4.48Å; A16-F18 VanDerWaalsContact O-CD2 3.31Å; A16-F18 WeakPolarHBondContact O-CD2 3.43Å; A16-F18 PolarHBondContact O-N 3.47Å | ||
| 17 | I | 50.7 | Low | 56.3 | Low | 154 Ų | 154 | 139.5 Ų | 139.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -66.8 | 95.3 | 171.2 | -61.2 | 172.1 | 0 | 0 | 0 | 104.9 | L15 | L15-I17 PolarHBondContact O-N 3.39Š| ||
| 18 | F | 55 | Low | 57.1 | Low | 178 Ų | 178 | 139.2 Ų | 139.2 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -58.1 | 125.3 | 172.3 | -81.3 | -93.5 | 0 | 0 | 0 | 107.5 | A16 S20 | A16-F18 VanDerWaalsContact C-N 3.27Å; A16-F18 HydrophobicContact CB-CE2 4.48Å; A16-F18 VanDerWaalsContact O-CD2 3.31Å; A16-F18 WeakPolarHBondContact O-CD2 3.43Å; A16-F18 PolarHBondContact O-N 3.47Å; F18-S20 PolarHBondContact O-N 3.49Å; F18-S20 VanDerWaalsContact O-N 3.13Å | ||
| 19 | P | 55.3 | Low | 57.5 | Low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -56.5 | 125.2 | 176.3 | 21.5 | -29.8 | 0 | 0 | 0 | 108.3 | L21 | P19-L21 PolarHBondContact O-N 3.22Å; P19-L21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | S | 54.5 | Low | 58.2 | Low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -12.9 | 107 | 171 | 174.7 | 0 | 0 | 0 | 0 | 112.4 | F18 R22 | F18-S20 PolarHBondContact O-N 3.49Å; F18-S20 VanDerWaalsContact O-N 3.13Å; S20-R22 PolarHBondContact O-N 3.48Å | ||
| 21 | L | 53.5 | Low | 59.1 | Low | 175 Ų | 175 | 132.1 Ų | 132.1 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -58.6 | 89.6 | 163.9 | -164.5 | 81.3 | 0 | 0 | 0 | 105.7 | P19 S23 | P19-L21 PolarHBondContact O-N 3.22Å; P19-L21 VanDerWaalsContact O-N 3.16Å; L21-S23 PolarHBondContact O-N 3.26Å | ||
| 22 | R | 59.9 | Low | 60 | Low | 220 Ų | 220 | 131.4 Ų | 131.4 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | trans | -57.6 | 113.6 | -177.9 | -159.9 | 175.7 | -155.3 | -173.2 | 4.5 | 105.4 | S20 V24 | S20-R22 PolarHBondContact O-N 3.48Å; R22-V24 PolarHBondContact O-N 3.11Å | ||
| 23 | S | 58.2 | Low | 60.6 | Low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | -52.1 | 106.2 | 176.6 | -171.6 | 0 | 0 | 0 | 0 | 106.9 | L21 D25 | L21-S23 PolarHBondContact O-N 3.26Å; S23-D25 PolarHBondContact O-N 3Å | ||
| 24 | V | 68.6 | Low | 61.5 | Low | 123 Ų | 123 | 117.6 Ų | 117.6 | 75% | 0.745 | 66% | 0.657 | S | S | * | * | trans | -79.6 | 110.8 | 171.6 | -178.3 | 0 | 0 | 0 | 0 | 103.8 | R22 | R22-V24 PolarHBondContact O-N 3.11Š| ||
| 25 | D | 73.4 | Confident | 62.4 | Low | 125 Ų | 125 | 118.4 Ų | 118.4 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | trans | -53.5 | 137.3 | 176.4 | -62.7 | -56.8 | 0 | 0 | 0 | 108.9 | S23 V27 | S23-D25 PolarHBondContact O-N 3Å; D25-V27 PolarHBondContact O-N 3.17Å | ||
| 26 | P | 69.5 | Low | 63.4 | Low | 118 Ų | 118 | 117.8 Ų | 117.8 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | trans | -58.5 | 114.3 | 178.5 | 24.5 | -32.6 | 0 | 0 | 0 | 108.5 | D28 | P26-D28 PolarHBondContact O-N 3.28Š| ||
| 27 | V | 68.9 | Low | 64.2 | Low | 69 Ų | 69 | 115.8 Ų | 115.8 | 42% | 0.418 | 63% | 0.627 | S | S | . | * | trans | -68.7 | 128.4 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | D25 T31 L32 | D25-V27 PolarHBondContact O-N 3.17Å; V27-T31 HydrophobicContact CG1-CG2 3.7Å; V27-L32 HydrophobicContact CB-CD2 4.04Å; V27-L32 HydrophobicContact CB-CG 4.16Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; V27-L32 HydrophobicContact CG1-CG 3.79Å | ||
| 28 | D | 72.1 | Confident | 65.7 | Low | 105 Ų | 105 | 112.3 Ų | 112.3 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | trans | -55.6 | 139.4 | 175.5 | -56.1 | -71.7 | 0 | 0 | 0 | 110.3 | P26 E30 T31 L32 | P26-D28 PolarHBondContact O-N 3.28Å; D28-E30 PolarHBondContact O-N 2.73Å; D28-E30 VanDerWaalsContact O-N 3.1Å; D28-T31 WeakPolarHBondContact O-CB 3.4Å; D28-T31 PolarHBondContact O-N 3.04Å; D28-L32 PolarHBondContact O-N 2.69Å | ||
| 29 | P | 65.6 | Low | 66.8 | Low | 98 Ų | 98 | 108.6 Ų | 108.6 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.2 | -27.7 | -178.2 | 23.7 | -33.6 | 0 | 0 | 0 | 112.5 | L32 L33 | P29-L32 PolarHBondContact O-N 3.15Å; P29-L33 PolarHBondContact O-N 3.48Å |
| 30 | E | 66.4 | Low | 68.1 | Low | 152 Ų | 152 | 108.5 Ų | 108.5 | 71% | 0.71 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.8 | -40.5 | 174 | -59.2 | -171.1 | 139.2 | 0 | 0 | 112.1 | D28 L33 N34 | D28-E30 PolarHBondContact O-N 2.73Å; D28-E30 VanDerWaalsContact O-N 3.1Å; E30-L33 WeakPolarHBondContact O-CB 3.41Å; E30-L33 PolarHBondContact O-N 2.85Å; E30-N34 PolarHBondContact O-N 3.17Å |
| 31 | T | 64.8 | Low | 69.4 | Low | 63 Ų | 63 | 104.1 Ų | 104.1 | 39% | 0.387 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.5 | -42 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | V27 D28 L33 N34 I35 | V27-T31 HydrophobicContact CG1-CG2 3.7Å; D28-T31 WeakPolarHBondContact O-CB 3.4Å; D28-T31 PolarHBondContact O-N 3.04Å; T31-L33 VanDerWaalsContact C-N 3.25Å; T31-L33 PolarHBondContact O-N 3.12Å; T31-N34 PolarHBondContact O-N 3.26Å; T31-I35 HydrophobicContact CG2-CD1 4.05Å; T31-I35 WeakPolarHBondContact O-CD1 3.24Å; T31-I35 VanDerWaalsContact O-CG1 3.26Å; T31-I35 WeakPolarHBondContact O-CG1 3.15Å; T31-I35 PolarHBondContact O-N 2.88Å; T31-I35 VanDerWaalsContact O-N 3.09Å |
| 32 | L | 68.7 | Low | 70.9 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 174.3 | -66.8 | 176.7 | 0 | 0 | 0 | 112 | V27 D28 P29 I35 L36 | V27-L32 HydrophobicContact CB-CD2 4.04Å; V27-L32 HydrophobicContact CB-CG 4.16Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; V27-L32 HydrophobicContact CG1-CG 3.79Å; D28-L32 PolarHBondContact O-N 2.69Å; P29-L32 PolarHBondContact O-N 3.15Å; L32-I35 PolarHBondContact O-N 2.72Å; L32-L36 WeakPolarHBondContact O-CB 3.34Å; L32-L36 PolarHBondContact O-N 3.37Å; L32-L36 VanDerWaalsContact O-N 3.11Å |
| 33 | L | 67.2 | Low | 72.1 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 26% | 0.257 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 176 | -99.2 | 164.4 | 0 | 0 | 0 | 112.6 | P29 E30 T31 I35 L36 E37 L69 | P29-L33 PolarHBondContact O-N 3.48Å; E30-L33 WeakPolarHBondContact O-CB 3.41Å; E30-L33 PolarHBondContact O-N 2.85Å; T31-L33 VanDerWaalsContact C-N 3.25Å; T31-L33 PolarHBondContact O-N 3.12Å; L33-I35 PolarHBondContact O-N 2.9Å; L33-L36 PolarHBondContact O-N 2.8Å; L33-L36 VanDerWaalsContact O-N 3.14Å; L33-E37 VanDerWaalsContact O-CB 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.38Å; L33-E37 PolarHBondContact O-N 3.09Å; L33-L69 HydrophobicContact CD1-CB 4.19Å; L33-L69 HydrophobicContact CD1-CD1 3.47Å; L33-L69 VanDerWaalsContact CD1-CD1 3.47Å; L33-L69 HydrophobicContact CD1-CG 4.46Å; L33-L69 HydrophobicContact CD2-CD1 3.15Å; L33-L69 HydrophobicContact CG-CD1 3.8Å |
| 34 | N | 68.2 | Low | 73.5 | Confident | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -30.5 | 178.6 | -77.6 | -1.5 | 0 | 0 | 0 | 112.6 | E30 T31 K66 | E30-N34 PolarHBondContact O-N 3.17Å; T31-N34 PolarHBondContact O-N 3.26Å; N34-K66 WeakPolarHBondContact OD1-CE 3.32Å; N34-K66 PolarHBondContact OD1-NZ 2.93Å |
| 35 | I | 65.5 | Low | 74.6 | Confident | 129 Ų | 129 | 97.3 Ų | 97.3 | 66% | 0.662 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -75 | -32.9 | 176.1 | -63.6 | 162.8 | 0 | 0 | 0 | 111.3 | T31 L32 L33 | T31-I35 HydrophobicContact CG2-CD1 4.05Å; T31-I35 WeakPolarHBondContact O-CD1 3.24Å; T31-I35 VanDerWaalsContact O-CG1 3.26Å; T31-I35 WeakPolarHBondContact O-CG1 3.15Å; T31-I35 PolarHBondContact O-N 2.88Å; T31-I35 VanDerWaalsContact O-N 3.09Å; L32-I35 PolarHBondContact O-N 2.72Å; L33-I35 PolarHBondContact O-N 2.9Å |
| 36 | L | 69.1 | Low | 75.4 | Confident | 141 Ų | 141 | 91.4 Ų | 91.4 | 74% | 0.738 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -86.6 | -18.5 | -178.6 | -165 | 68.5 | 0 | 0 | 0 | 113.3 | L32 L33 | L32-L36 WeakPolarHBondContact O-CB 3.34Å; L32-L36 PolarHBondContact O-N 3.37Å; L32-L36 VanDerWaalsContact O-N 3.11Å; L33-L36 PolarHBondContact O-N 2.8Å; L33-L36 VanDerWaalsContact O-N 3.14Å |
| 37 | E | 73.3 | Confident | 76.5 | Confident | 26 Ų | 26 | 88.1 Ų | 88.1 | 12% | 0.121 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -69.7 | 130.1 | -179.1 | -179.2 | 168.6 | -108.2 | 0 | 0 | 111.5 | L33 R42 A62 K66 | L33-E37 VanDerWaalsContact O-CB 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.38Å; L33-E37 PolarHBondContact O-N 3.09Å; E37-R42 IonicContact OE2-CZ 2.79Å; E37-R42 IonicContact OE2-NE 2.67Å; E37-R42 PolarHBondContact OE2-NE 2.95Å; E37-R42 VanDerWaalsContact OE2-NE 3.17Å; E37-R42 IonicContact OE2-NH2 3.49Å; E37-R42 PolarHBondContact OE2-NH2 2.94Å; E37-A62 VanDerWaalsContact CD-CB 3.42Å; E37-A62 HydrophobicContact CG-CB 4.23Å; E37-A62 WeakPolarHBondContact OE1-CA 3.34Å; E37-A62 WeakPolarHBondContact OE1-CB 3.41Å; E37-K66 WeakPolarHBondContact OE1-CE 3.48Å; E37-K66 IonicContact OE1-NZ 2.85Å; E37-K66 VanDerWaalsContact OE2-CE 3.29Å; E37-K66 WeakPolarHBondContact OE2-CE 3.39Å; E37-K66 IonicContact OE2-NZ 3.07Å; E37-K66 PolarHBondContact OE2-NZ 2.57Å |
| 38 | N | 81 | Confident | 77.6 | Confident | 82 Ų | 82 | 84.8 Ų | 84.8 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | trans | -76.1 | 138.4 | 175.9 | -57.9 | -54.9 | 0 | 0 | 0 | 109.4 | E40 D41 | N38-E40 HydrophobicContact CB-CG 3.78Å; N38-E40 WeakPolarHBondContact CB-OE1 3.38Å; N38-E40 PolarHBondContact O-N 3.45Å; N38-D41 WeakPolarHBondContact O-CB 3.27Å; N38-D41 PolarHBondContact O-N 2.98Å; N38-D41 VanDerWaalsContact O-N 3.09Å | ||
| 39 | P | 78.2 | Confident | 78.6 | Confident | 100 Ų | 100 | 80.6 Ų | 80.6 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.8 | 180 | 24.5 | -33.4 | 0 | 0 | 0 | 112.6 | D41 R42 | P39-D41 PolarHBondContact O-N 3.44Å; P39-R42 WeakPolarHBondContact O-CB 3.48Å; P39-R42 PolarHBondContact O-N 3.34Å |
| 40 | E | 82.6 | Confident | 79.7 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -27.2 | 176.6 | 65.2 | -151.5 | 115.4 | 0 | 0 | 113.2 | N38 R42 E43 I44 | N38-E40 HydrophobicContact CB-CG 3.78Å; N38-E40 WeakPolarHBondContact CB-OE1 3.38Å; N38-E40 PolarHBondContact O-N 3.45Å; E40-R42 PolarHBondContact O-N 3.35Å; E40-E43 PolarHBondContact O-N 2.87Å; E40-I44 WeakPolarHBondContact O-CG1 3.32Å |
| 41 | D | 83.2 | Confident | 80.5 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.8 | -18 | 176.8 | -65.8 | -52 | 0 | 0 | 0 | 112.5 | N38 P39 L61 A62 K65 | N38-D41 WeakPolarHBondContact O-CB 3.27Å; N38-D41 PolarHBondContact O-N 2.98Å; N38-D41 VanDerWaalsContact O-N 3.09Å; P39-D41 PolarHBondContact O-N 3.44Å; D41-L61 HydrophobicContact CB-CB 4.42Å; D41-L61 HydrophobicContact CB-CD2 4.25Å; D41-L61 HydrophobicContact CB-CG 4.31Å; D41-L61 WeakPolarHBondContact O-CB 3.37Å; D41-L61 PolarHBondContact O-N 2.88Å; D41-L61 WeakPolarHBondContact OD1-CD2 3.28Å; D41-A62 HydrophobicContact CB-CB 4.29Å; D41-A62 PolarHBondContact O-N 3.25Å; D41-A62 VanDerWaalsContact O-N 3.07Å; D41-K65 IonicContact OD1-NZ 3.43Å; D41-K65 PolarHBondContact OD1-NZ 3.25Å; D41-K65 IonicContact OD2-NZ 3.5Å; D41-K65 PolarHBondContact OD2-NZ 2.88Å |
| 42 | R | 85.2 | Confident | 81.4 | Confident | 134 Ų | 134 | 75.3 Ų | 75.3 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82.3 | -24.7 | 179.6 | -63.4 | -174.3 | 175.2 | -159.7 | 1.6 | 112.9 | E37 P39 E40 A62 | E37-R42 IonicContact OE2-CZ 2.79Å; E37-R42 IonicContact OE2-NE 2.67Å; E37-R42 PolarHBondContact OE2-NE 2.95Å; E37-R42 VanDerWaalsContact OE2-NE 3.17Å; E37-R42 IonicContact OE2-NH2 3.49Å; E37-R42 PolarHBondContact OE2-NH2 2.94Å; P39-R42 WeakPolarHBondContact O-CB 3.48Å; P39-R42 PolarHBondContact O-N 3.34Å; E40-R42 PolarHBondContact O-N 3.35Å; R42-A62 HydrophobicContact CB-CB 4.47Å; R42-A62 HydrophobicContact CG-CB 3.66Å |
| 43 | E | 85.3 | Confident | 82 | Confident | 162 Ų | 162 | 75.5 Ų | 75.5 | 76% | 0.757 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -83.1 | -22.5 | -178.8 | -61.8 | 180 | 93.6 | 0 | 0 | 111.8 | E40 L45 | E40-E43 PolarHBondContact O-N 2.87Å; E43-L45 PolarHBondContact O-N 3.15Å |
| 44 | I | 87.7 | Confident | 83.1 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 40% | 0.395 | 40% | 0.402 | S | S | . | . | trans | -86.3 | 113.3 | -177.7 | -56.7 | 167.4 | 0 | 0 | 0 | 109.7 | E40 I46 S60 L61 | E40-I44 WeakPolarHBondContact O-CG1 3.32Å; I44-I46 HydrophobicContact CG2-CG2 3.82Å; I44-S60 CarbonylContact O-C 3.57Å; I44-S60 WeakPolarHBondContact O-CA 3.32Å; I44-L61 HydrophobicContact CB-CB 4.25Å; I44-L61 HydrophobicContact CD1-CD2 4.23Å; I44-L61 HydrophobicContact CG2-CB 4.48Å; I44-L61 PolarHBondContact O-N 2.91Å | ||
| 45 | L | 90.4 | Very high | 83.9 | Confident | 105 Ų | 105 | 78.3 Ų | 78.3 | 55% | 0.55 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.6 | 170.9 | -66.2 | 176.1 | 0 | 0 | 0 | 110.4 | E43 T58 V86 | E43-L45 PolarHBondContact O-N 3.15Å; L45-T58 HydrophobicContact CB-CG2 4.12Å; L45-V86 WeakPolarHBondContact O-CG1 3.48Å |
| 46 | I | 91.4 | Very high | 85 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.3 | -179.6 | 69.5 | 161.6 | 0 | 0 | 0 | 110.6 | I44 V48 T58 M59 L61 A64 L75 P87 Y89 | I44-I46 HydrophobicContact CG2-CG2 3.82Å; I46-V48 HydrophobicContact CD1-CG2 3.84Å; I46-V48 HydrophobicContact CG1-CG2 3.91Å; I46-T58 WeakPolarHBondContact O-CA 3.46Å; I46-M59 PolarHBondContact N-O 3.14Å; I46-M59 PolarHBondContact O-N 3.45Å; I46-M59 VanDerWaalsContact O-O 3.08Å; I46-L61 HydrophobicContact CD1-CB 4.44Å; I46-L61 HydrophobicContact CD1-CD1 3.75Å; I46-L61 HydrophobicContact CG2-CB 4.12Å; I46-L61 HydrophobicContact CG2-CD1 4.4Å; I46-A64 HydrophobicContact CD1-CB 3.6Å; I46-A64 HydrophobicContact CG1-CB 4.19Å; I46-L75 HydrophobicContact CD1-CD2 3.87Å; I46-P87 HydrophobicContact CB-CG 4.37Å; I46-P87 HydrophobicContact CG2-CG 3.85Å; I46-Y89 HydrophobicContact CB-CD2 3.78Å; I46-Y89 HydrophobicContact CB-CE2 4.01Å; I46-Y89 HydrophobicContact CD1-CD1 4.46Å; I46-Y89 HydrophobicContact CD1-CD2 3.55Å; I46-Y89 HydrophobicContact CD1-CE2 4.07Å; I46-Y89 HydrophobicContact CD1-CG 3.77Å; I46-Y89 HydrophobicContact CG1-CD2 4.28Å; I46-Y89 HydrophobicContact CG2-CD2 4.03Å; I46-Y89 HydrophobicContact CG2-CE2 3.71Å |
| 47 | N | 91.7 | Very high | 86 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.4 | 172.9 | -159.3 | 29.3 | 0 | 0 | 0 | 109.4 | G57 P87 L88 Y89 | N47-G57 VanDerWaalsContact OD1-C 3.29Å; N47-G57 PolarHBondContact OD1-O 2.74Å; N47-P87 PolarHBondContact N-O 3.38Å; N47-L88 HydrophobicContact CB-CD1 4.04Å; N47-L88 WeakPolarHBondContact O-CA 3.27Å; N47-Y89 PolarHBondContact O-N 3.04Å |
| 48 | V | 92.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.6 | -173.2 | -171 | 0 | 0 | 0 | 0 | 110.9 | I46 L56 G57 M59 A64 L75 Y89 L91 | I46-V48 HydrophobicContact CD1-CG2 3.84Å; I46-V48 HydrophobicContact CG1-CG2 3.91Å; V48-L56 HydrophobicContact CB-CB 4.38Å; V48-L56 HydrophobicContact CG1-CD1 3.98Å; V48-L56 PolarHBondContact O-N 3.04Å; V48-G57 PolarHBondContact N-O 3.05Å; V48-M59 HydrophobicContact CB-CE 4.21Å; V48-M59 HydrophobicContact CB-SD 4.45Å; V48-M59 HydrophobicContact CG2-CE 4.21Å; V48-M59 HydrophobicContact CG2-CG 3.77Å; V48-M59 HydrophobicContact CG2-SD 3.89Å; V48-A64 HydrophobicContact CG2-CB 3.7Å; V48-L75 HydrophobicContact CG1-CD1 4.11Å; V48-Y89 CarbonylContact C-O 3.54Å; V48-Y89 WeakPolarHBondContact CA-O 3.26Å; V48-L91 HydrophobicContact CG1-CD1 4.32Å; V48-L91 HydrophobicContact CG1-CD2 4.46Å; V48-L91 HydrophobicContact CG1-CG 3.95Å |
| 49 | I | 92.4 | Very high | 87.4 | Confident | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.087 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147.7 | 171.4 | 65.5 | 168.4 | 0 | 0 | 0 | 111.1 | N54 I78 L88 Y89 R90 L91 | I49-N54 CarbonylContact C-O 3.54Å; I49-N54 WeakPolarHBondContact CA-O 3.43Å; I49-I78 HydrophobicContact CD1-CD1 3.38Å; I49-I78 HydrophobicContact CG1-CD1 3.85Å; I49-L88 HydrophobicContact CG2-CD1 3.86Å; I49-Y89 WeakPolarHBondContact CG1-O 3.48Å; I49-Y89 PolarHBondContact N-O 2.87Å; I49-R90 HydrophobicContact CD1-CB 4.13Å; I49-R90 HydrophobicContact CD1-CG 4.29Å; I49-R90 HydrophobicContact CG1-CB 3.71Å; I49-R90 HydrophobicContact CG1-CG 3.99Å; I49-R90 CarbonylContact O-C 3.56Å; I49-R90 VanDerWaalsContact O-CA 3.31Å; I49-R90 WeakPolarHBondContact O-CA 3.21Å; I49-L91 PolarHBondContact O-N 3.02Å |
| 50 | D | 89.3 | Confident | 88 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | trans | -82.7 | 171.5 | 176.8 | -151.3 | -18.4 | 0 | 0 | 0 | 112 | N52 D53 N54 L56 K71 | D50-N52 PolarHBondContact O-N 3.33Å; D50-D53 PolarHBondContact O-N 3.48Å; D50-D53 VanDerWaalsContact O-N 3.09Å; D50-N54 HydrophobicContact CB-CB 4.28Å; D50-N54 PolarHBondContact N-O 3.46Å; D50-L56 HydrophobicContact CB-CD1 4.32Å; D50-K71 IonicContact OD2-NZ 2.84Å | ||
| 51 | S | 82 | Confident | 88.4 | Confident | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.2 | 172.8 | -69.5 | 0 | 0 | 0 | 0 | 113.1 | D53 L91 | S51-D53 VanDerWaalsContact C-N 3.32Å; S51-L91 PolarHBondContact N-O 3.36Å; S51-L91 PolarHBondContact OG-O 3Å |
| 52 | N | 84.7 | Confident | 88.6 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 66% | 0.663 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 19.9 | 176.2 | -63.4 | -35.8 | 0 | 0 | 0 | 112.8 | D50 N54 | D50-N52 PolarHBondContact O-N 3.33Å; N52-N54 PolarHBondContact O-N 3.3Å |
| 53 | D | 81.5 | Confident | 88.8 | Confident | 102 Ų | 102 | 58 Ų | 58 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 59.3 | 16 | -178.5 | -63.7 | -54.5 | 0 | 0 | 0 | 115.4 | D50 S51 R90 | D50-D53 PolarHBondContact O-N 3.48Å; D50-D53 VanDerWaalsContact O-N 3.09Å; S51-D53 VanDerWaalsContact C-N 3.32Å; D53-R90 IonicContact OD1-CZ 2.71Å; D53-R90 IonicContact OD1-NE 3.17Å; D53-R90 IonicContact OD1-NH2 2.84Å; D53-R90 PolarHBondContact OD1-NH2 2.96Å |
| 54 | N | 88.6 | Confident | 89.1 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | trans | -74.9 | 127.1 | 171.8 | -66.3 | -37.2 | 0 | 0 | 0 | 110.4 | I49 D50 N52 L56 | I49-N54 CarbonylContact C-O 3.54Å; I49-N54 WeakPolarHBondContact CA-O 3.43Å; D50-N54 HydrophobicContact CB-CB 4.28Å; D50-N54 PolarHBondContact N-O 3.46Å; N52-N54 PolarHBondContact O-N 3.3Å; N54-L56 PolarHBondContact O-N 2.94Å | ||
| 55 | S | 86.9 | Confident | 89.2 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 66% | 0.657 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.8 | 175.2 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | G57 | S55-G57 VanDerWaalsContact C-N 3.28Å |
| 56 | L | 88.2 | Confident | 89.1 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -12.4 | 178.5 | -67.6 | 163.3 | 0 | 0 | 0 | 112.3 | V48 D50 N54 M59 M67 L91 | V48-L56 HydrophobicContact CB-CB 4.38Å; V48-L56 HydrophobicContact CG1-CD1 3.98Å; V48-L56 PolarHBondContact O-N 3.04Å; D50-L56 HydrophobicContact CB-CD1 4.32Å; N54-L56 PolarHBondContact O-N 2.94Å; L56-M59 HydrophobicContact CB-CE 3.96Å; L56-M67 HydrophobicContact CD1-SD 3.74Å; L56-M67 HydrophobicContact CD2-SD 4.45Å; L56-L91 HydrophobicContact CD1-CD1 3.69Å |
| 57 | G | 90.5 | Very high | 88.9 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 101 | -174.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N47 V48 S55 | N47-G57 VanDerWaalsContact OD1-C 3.29Å; N47-G57 PolarHBondContact OD1-O 2.74Å; V48-G57 PolarHBondContact N-O 3.05Å; S55-G57 VanDerWaalsContact C-N 3.28Å |
| 58 | T | 90.8 | Very high | 88.7 | Confident | 84 Ų | 84 | 48.2 Ų | 48.2 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.5 | 177.4 | -52.2 | 0 | 0 | 0 | 0 | 109.9 | L45 I46 V86 | L45-T58 HydrophobicContact CB-CG2 4.12Å; I46-T58 WeakPolarHBondContact O-CA 3.46Å; T58-V86 HydrophobicContact CG2-CG1 4.28Å |
| 59 | M | 91.2 | Very high | 88.3 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 169.8 | 178.7 | 65 | -171.7 | 71.4 | 0 | 0 | 110.2 | I46 V48 L56 D63 A64 M67 | I46-M59 PolarHBondContact N-O 3.14Å; I46-M59 PolarHBondContact O-N 3.45Å; I46-M59 VanDerWaalsContact O-O 3.08Å; V48-M59 HydrophobicContact CB-CE 4.21Å; V48-M59 HydrophobicContact CB-SD 4.45Å; V48-M59 HydrophobicContact CG2-CE 4.21Å; V48-M59 HydrophobicContact CG2-CG 3.77Å; V48-M59 HydrophobicContact CG2-SD 3.89Å; L56-M59 HydrophobicContact CB-CE 3.96Å; M59-D63 HydrophobicContact CB-CB 4.45Å; M59-A64 HydrophobicContact CG-CB 4.03Å; M59-A64 HydrophobicContact SD-CB 3.97Å; M59-M67 HydrophobicContact CE-CE 3.81Å; M59-M67 HydrophobicContact SD-CE 3.92Å |
| 60 | S | 91.6 | Very high | 88 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 151.6 | 175.4 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | I44 A62 D63 A64 | I44-S60 CarbonylContact O-C 3.57Å; I44-S60 WeakPolarHBondContact O-CA 3.32Å; S60-A62 PolarHBondContact O-N 2.77Å; S60-D63 PolarHBondContact O-N 2.75Å; S60-D63 WeakPolarHBondContact OG-CB 3.22Å; S60-D63 PolarHBondContact OG-N 2.79Å; S60-D63 PolarHBondContact OG-OD2 3.26Å; S60-A64 WeakPolarHBondContact O-CB 3.32Å; S60-A64 PolarHBondContact O-N 2.93Å |
| 61 | L | 90.2 | Very high | 87.8 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -37 | 175.7 | 175.3 | 65.6 | 0 | 0 | 0 | 110.9 | D41 I44 I46 A64 K65 L75 Y89 | D41-L61 HydrophobicContact CB-CB 4.42Å; D41-L61 HydrophobicContact CB-CD2 4.25Å; D41-L61 HydrophobicContact CB-CG 4.31Å; D41-L61 WeakPolarHBondContact O-CB 3.37Å; D41-L61 PolarHBondContact O-N 2.88Å; D41-L61 WeakPolarHBondContact OD1-CD2 3.28Å; I44-L61 HydrophobicContact CB-CB 4.25Å; I44-L61 HydrophobicContact CD1-CD2 4.23Å; I44-L61 HydrophobicContact CG2-CB 4.48Å; I44-L61 PolarHBondContact O-N 2.91Å; I46-L61 HydrophobicContact CD1-CB 4.44Å; I46-L61 HydrophobicContact CD1-CD1 3.75Å; I46-L61 HydrophobicContact CG2-CB 4.12Å; I46-L61 HydrophobicContact CG2-CD1 4.4Å; L61-A64 PolarHBondContact O-N 3.01Å; L61-K65 VanDerWaalsContact O-CG 3.3Å; L61-K65 WeakPolarHBondContact O-CG 3.48Å; L61-K65 PolarHBondContact O-N 2.88Å; L61-L75 HydrophobicContact CD1-CD2 3.76Å; L61-Y89 HydrophobicContact CD1-CE1 4.5Å |
| 62 | A | 89 | Confident | 87.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.3 | -57.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E37 D41 R42 S60 A64 K65 K66 | E37-A62 VanDerWaalsContact CD-CB 3.42Å; E37-A62 HydrophobicContact CG-CB 4.23Å; E37-A62 WeakPolarHBondContact OE1-CA 3.34Å; E37-A62 WeakPolarHBondContact OE1-CB 3.41Å; D41-A62 HydrophobicContact CB-CB 4.29Å; D41-A62 PolarHBondContact O-N 3.25Å; D41-A62 VanDerWaalsContact O-N 3.07Å; R42-A62 HydrophobicContact CB-CB 4.47Å; R42-A62 HydrophobicContact CG-CB 3.66Å; S60-A62 PolarHBondContact O-N 2.77Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 2.9Å; A62-K65 WeakPolarHBondContact O-CB 3.34Å; A62-K65 PolarHBondContact O-N 3.46Å; A62-K66 PolarHBondContact O-N 3.43Å |
| 63 | D | 89.7 | Confident | 88.1 | Confident | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | -178.8 | -62.5 | -35.5 | 0 | 0 | 0 | 111.9 | M59 S60 K66 M67 | M59-D63 HydrophobicContact CB-CB 4.45Å; S60-D63 PolarHBondContact O-N 2.75Å; S60-D63 WeakPolarHBondContact OG-CB 3.22Å; S60-D63 PolarHBondContact OG-N 2.79Å; S60-D63 PolarHBondContact OG-OD2 3.26Å; D63-K66 PolarHBondContact O-N 3.44Å; D63-M67 WeakPolarHBondContact O-CB 3.49Å; D63-M67 PolarHBondContact O-N 3.18Å |
| 64 | A | 90.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I46 V48 M59 S60 L61 A62 M67 A68 L75 | I46-A64 HydrophobicContact CD1-CB 3.6Å; I46-A64 HydrophobicContact CG1-CB 4.19Å; V48-A64 HydrophobicContact CG2-CB 3.7Å; M59-A64 HydrophobicContact CG-CB 4.03Å; M59-A64 HydrophobicContact SD-CB 3.97Å; S60-A64 WeakPolarHBondContact O-CB 3.32Å; S60-A64 PolarHBondContact O-N 2.93Å; L61-A64 PolarHBondContact O-N 3.01Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 2.9Å; A64-M67 PolarHBondContact O-N 2.97Å; A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.18Å; A64-L75 HydrophobicContact CB-CD1 4.16Å; A64-L75 HydrophobicContact CB-CD2 3.77Å |
| 65 | K | 89.6 | Confident | 88.4 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174 | -75.9 | 174.4 | -173.5 | 176.1 | 0 | 110.9 | D41 L61 A62 A68 L69 L75 | D41-K65 IonicContact OD1-NZ 3.43Å; D41-K65 PolarHBondContact OD1-NZ 3.25Å; D41-K65 IonicContact OD2-NZ 3.5Å; D41-K65 PolarHBondContact OD2-NZ 2.88Å; L61-K65 VanDerWaalsContact O-CG 3.3Å; L61-K65 WeakPolarHBondContact O-CG 3.48Å; L61-K65 PolarHBondContact O-N 2.88Å; A62-K65 WeakPolarHBondContact O-CB 3.34Å; A62-K65 PolarHBondContact O-N 3.46Å; K65-A68 WeakPolarHBondContact O-CB 3.5Å; K65-A68 PolarHBondContact O-N 3.08Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.14Å; K65-L75 HydrophobicContact CG-CD2 4.18Å |
| 66 | K | 88 | Confident | 88.6 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.226 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 175.1 | -70.2 | 173.7 | -168.6 | 168.8 | 0 | 111.7 | N34 E37 A62 D63 A68 L69 A70 | N34-K66 WeakPolarHBondContact OD1-CE 3.32Å; N34-K66 PolarHBondContact OD1-NZ 2.93Å; E37-K66 WeakPolarHBondContact OE1-CE 3.48Å; E37-K66 IonicContact OE1-NZ 2.85Å; E37-K66 VanDerWaalsContact OE2-CE 3.29Å; E37-K66 WeakPolarHBondContact OE2-CE 3.39Å; E37-K66 IonicContact OE2-NZ 3.07Å; E37-K66 PolarHBondContact OE2-NZ 2.57Å; A62-K66 PolarHBondContact O-N 3.43Å; D63-K66 PolarHBondContact O-N 3.44Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 3.4Å; K66-L69 PolarHBondContact O-N 2.91Å; K66-A70 WeakPolarHBondContact O-CB 3.39Å; K66-A70 PolarHBondContact O-N 3.08Å |
| 67 | M | 87.4 | Confident | 88.7 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 176.7 | -171.3 | -179.8 | -60.3 | 0 | 0 | 112 | L56 M59 D63 A64 L69 A70 K71 L91 | L56-M67 HydrophobicContact CD1-SD 3.74Å; L56-M67 HydrophobicContact CD2-SD 4.45Å; M59-M67 HydrophobicContact CE-CE 3.81Å; M59-M67 HydrophobicContact SD-CE 3.92Å; D63-M67 WeakPolarHBondContact O-CB 3.49Å; D63-M67 PolarHBondContact O-N 3.18Å; A64-M67 PolarHBondContact O-N 2.97Å; M67-L69 VanDerWaalsContact C-N 3.34Å; M67-L69 PolarHBondContact O-N 3.18Å; M67-A70 PolarHBondContact O-N 2.71Å; M67-K71 HydrophobicContact CG-CD 4.18Å; M67-K71 WeakPolarHBondContact O-CB 3.37Å; M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.84Å; M67-L91 HydrophobicContact CG-CD1 4.44Å; M67-L91 HydrophobicContact SD-CD1 4.32Å |
| 68 | A | 87.8 | Confident | 88.6 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A64 K65 K66 K71 C72 L73 L75 L91 | A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.18Å; K65-A68 WeakPolarHBondContact O-CB 3.5Å; K65-A68 PolarHBondContact O-N 3.08Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 3.4Å; A68-K71 CarbonylContact O-C 3.5Å; A68-K71 PolarHBondContact O-N 3.45Å; A68-C72 PolarHBondContact O-N 3.15Å; A68-L73 CarbonylContact C-O 3.58Å; A68-L73 WeakPolarHBondContact CB-O 3.27Å; A68-L73 PolarHBondContact O-N 2.96Å; A68-L75 HydrophobicContact CB-CB 4.16Å; A68-L91 HydrophobicContact CB-CD2 3.5Å; A68-L91 VanDerWaalsContact CB-CD2 3.5Å |
| 69 | L | 84.5 | Confident | 88.4 | Confident | 93 Ų | 93 | 55 Ų | 55 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 179.8 | -69.7 | 166.7 | 0 | 0 | 0 | 112.6 | L33 K65 K66 M67 K71 C72 | L33-L69 HydrophobicContact CD1-CB 4.19Å; L33-L69 HydrophobicContact CD1-CD1 3.47Å; L33-L69 VanDerWaalsContact CD1-CD1 3.47Å; L33-L69 HydrophobicContact CD1-CG 4.46Å; L33-L69 HydrophobicContact CD2-CD1 3.15Å; L33-L69 HydrophobicContact CG-CD1 3.8Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.14Å; K66-L69 PolarHBondContact O-N 2.91Å; M67-L69 VanDerWaalsContact C-N 3.34Å; M67-L69 PolarHBondContact O-N 3.18Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 3.5Å; L69-C72 PolarHBondContact O-N 2.94Å |
| 70 | A | 85.8 | Confident | 87.6 | Confident | 86 Ų | 86 | 57 Ų | 57 | 71% | 0.711 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.5 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K66 M67 C72 | K66-A70 WeakPolarHBondContact O-CB 3.39Å; K66-A70 PolarHBondContact O-N 3.08Å; M67-A70 PolarHBondContact O-N 2.71Å; A70-C72 VanDerWaalsContact C-N 3.32Å |
| 71 | K | 85.7 | Confident | 86.8 | Confident | 85 Ų | 85 | 63 Ų | 63 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.6 | 176.1 | -65.9 | -179.1 | 175.8 | -177.6 | 0 | 113.7 | D50 M67 A68 L69 L73 L91 | D50-K71 IonicContact OD2-NZ 2.84Å; M67-K71 HydrophobicContact CG-CD 4.18Å; M67-K71 WeakPolarHBondContact O-CB 3.37Å; M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.84Å; A68-K71 CarbonylContact O-C 3.5Å; A68-K71 PolarHBondContact O-N 3.45Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 3.5Å; K71-L73 HydrophobicContact CB-CB 4.4Å; K71-L73 HydrophobicContact CB-CD1 3.85Å; K71-L73 HydrophobicContact CB-CG 3.79Å; K71-L73 HydrophobicContact CD-CD1 4.13Å; K71-L73 WeakPolarHBondContact O-CG 3.25Å; K71-L73 PolarHBondContact O-N 2.81Å; K71-L91 HydrophobicContact CD-CD1 4.12Å |
| 72 | C | 84 | Confident | 86.1 | Confident | 103 Ų | 103 | 66 Ų | 66 | 70% | 0.696 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 31.1 | -170.4 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | A68 L69 A70 | A68-C72 PolarHBondContact O-N 3.15Å; L69-C72 PolarHBondContact O-N 2.94Å; A70-C72 VanDerWaalsContact C-N 3.32Å |
| 73 | L | 88.2 | Confident | 85.5 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.199 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 167.1 | 175.8 | -56.8 | 178.5 | 0 | 0 | 0 | 110 | A68 K71 L91 A93 | A68-L73 CarbonylContact C-O 3.58Å; A68-L73 WeakPolarHBondContact CB-O 3.27Å; A68-L73 PolarHBondContact O-N 2.96Å; K71-L73 HydrophobicContact CB-CB 4.4Å; K71-L73 HydrophobicContact CB-CD1 3.85Å; K71-L73 HydrophobicContact CB-CG 3.79Å; K71-L73 HydrophobicContact CD-CD1 4.13Å; K71-L73 WeakPolarHBondContact O-CG 3.25Å; K71-L73 PolarHBondContact O-N 2.81Å; L73-L91 HydrophobicContact CB-CB 4.23Å; L73-L91 HydrophobicContact CD1-CB 3.8Å; L73-L91 HydrophobicContact CD1-CD1 4.33Å; L73-A93 HydrophobicContact CD2-CB 4.01Å |
| 74 | R | 87.7 | Confident | 84.9 | Confident | 176 Ų | 176 | 70.9 Ų | 70.9 | 66% | 0.664 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.9 | 173.7 | -177.4 | 176.7 | 178.4 | 160.1 | 1.4 | 109.7 | V76 L91 Q92 | R74-V76 HydrophobicContact CG-CG2 4.07Å; R74-L91 WeakPolarHBondContact O-CA 3.5Å; R74-Q92 PolarHBondContact N-O 3.18Å; R74-Q92 PolarHBondContact O-N 3.33Å |
| 75 | L | 90.1 | Very high | 84.5 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 15% | 0.152 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 123.9 | 170 | -166.5 | 69.7 | 0 | 0 | 0 | 109.6 | I46 V48 L61 A64 K65 A68 Y89 L91 | I46-L75 HydrophobicContact CD1-CD2 3.87Å; V48-L75 HydrophobicContact CG1-CD1 4.11Å; L61-L75 HydrophobicContact CD1-CD2 3.76Å; A64-L75 HydrophobicContact CB-CD1 4.16Å; A64-L75 HydrophobicContact CB-CD2 3.77Å; K65-L75 HydrophobicContact CG-CD2 4.18Å; A68-L75 HydrophobicContact CB-CB 4.16Å; L75-Y89 HydrophobicContact CD1-CD1 4.39Å; L75-Y89 HydrophobicContact CD1-CG 4.35Å; L75-Y89 HydrophobicContact CD2-CD1 4.09Å; L75-Y89 HydrophobicContact CD2-CG 4.47Å; L75-Y89 HydrophobicContact CG-CD1 3.78Å; L75-Y89 HydrophobicContact CG-CG 4.2Å; L75-L91 HydrophobicContact CB-CD2 4.37Å; L75-L91 HydrophobicContact CD1-CD2 3.67Å; L75-L91 HydrophobicContact CD1-CG 4.46Å |
| 76 | V | 90.9 | Very high | 84.4 | Confident | 42 Ų | 42 | 76.3 Ų | 76.3 | 26% | 0.255 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.1 | -177.6 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | R74 Y89 R90 Q92 | R74-V76 HydrophobicContact CG-CG2 4.07Å; V76-Y89 CarbonylContact O-C 3.33Å; V76-Y89 VanDerWaalsContact O-CA 3.27Å; V76-Y89 WeakPolarHBondContact O-CA 3.24Å; V76-R90 PolarHBondContact N-O 2.93Å; V76-R90 PolarHBondContact O-N 3.32Å; V76-Q92 HydrophobicContact CB-CG 4.27Å; V76-Q92 HydrophobicContact CG2-CB 4.16Å; V76-Q92 HydrophobicContact CG2-CG 4.06Å |
| 77 | Q | 90.2 | Very high | 84.4 | Confident | 77 Ų | 77 | 74.9 Ų | 74.9 | 36% | 0.36 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.9 | 175.2 | -165.8 | 170.4 | -3.9 | 0 | 0 | 110.4 | N79 E81 Y89 | Q77-N79 WeakPolarHBondContact CG-O 3.48Å; Q77-N79 PolarHBondContact NE2-O 2.94Å; Q77-N79 VanDerWaalsContact NE2-O 3.17Å; Q77-E81 PolarHBondContact NE2-OE1 3.28Å; Q77-Y89 VanDerWaalsContact CA-CD1 3.44Å; Q77-Y89 HydrophobicContact CB-CD1 3.78Å; Q77-Y89 HydrophobicContact CB-CE1 3.42Å; Q77-Y89 VanDerWaalsContact CB-CE1 3.42Å; Q77-Y89 HydrophobicContact CB-CE2 4.49Å; Q77-Y89 HydrophobicContact CB-CG 4.46Å; Q77-Y89 HydrophobicContact CG-CD1 4.33Å; Q77-Y89 HydrophobicContact CG-CE1 3.87Å; Q77-Y89 HydrophobicContact CG-CE2 4.06Å; Q77-Y89 PolarHBondContact OE1-OH 2.82Å |
| 78 | I | 88.1 | Confident | 84.5 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 41% | 0.41 | 43% | 0.432 | S | S | . | . | trans | -101.3 | -46.5 | -179.4 | -48.3 | 174.8 | 0 | 0 | 0 | 111.1 | I49 L88 R90 | I49-I78 HydrophobicContact CD1-CD1 3.38Å; I49-I78 HydrophobicContact CG1-CD1 3.85Å; I78-L88 HydrophobicContact CD1-CD2 4.02Å; I78-L88 HydrophobicContact CD1-CG 3.94Å; I78-L88 PolarHBondContact N-O 3.23Å; I78-R90 HydrophobicContact CD1-CB 3.52Å; I78-R90 HydrophobicContact CG1-CB 3.77Å | ||
| 79 | N | 85.2 | Confident | 84.7 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 10% | 0.102 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -95.9 | 153.9 | -176.1 | 67.9 | -3 | 0 | 0 | 0 | 111.4 | Q77 H84 P87 L88 | Q77-N79 WeakPolarHBondContact CG-O 3.48Å; Q77-N79 PolarHBondContact NE2-O 2.94Å; Q77-N79 VanDerWaalsContact NE2-O 3.17Å; N79-H84 PolarHBondContact ND2-CD2 3.38Å; N79-P87 WeakPolarHBondContact OD1-CA 3.24Å; N79-L88 HydrophobicContact CB-CB 4.29Å; N79-L88 VanDerWaalsContact CG-N 3.25Å; N79-L88 VanDerWaalsContact ND2-CB 3.33Å; N79-L88 WeakPolarHBondContact ND2-CB 3.5Å; N79-L88 PolarHBondContact ND2-N 3.25Å; N79-L88 VanDerWaalsContact ND2-N 3.12Å; N79-L88 PolarHBondContact OD1-N 2.86Å; N79-L88 PolarHBondContact OD1-O 3.21Å |
| 80 | A | 76.1 | Confident | 85.1 | Confident | 71 Ų | 71 | 75 Ų | 75 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 154 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G82 S83 | A80-G82 PolarHBondContact O-N 2.95Å; A80-S83 PolarHBondContact O-N 3.2Å |
| 81 | E | 74.5 | Confident | 85.3 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 65% | 0.65 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 127.7 | 172 | -59.8 | -56.1 | 138.4 | 0 | 0 | 110.8 | Q77 | Q77-E81 PolarHBondContact NE2-OE1 3.28Š|
| 82 | G | 74.7 | Confident | 85.4 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 78% | 0.784 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | -10.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | A80 H84 | A80-G82 PolarHBondContact O-N 2.95Å; G82-H84 VanDerWaalsContact C-N 3.31Å; G82-H84 PolarHBondContact O-N 3.44Å |
| 83 | S | 77.2 | Confident | 85.3 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 57% | 0.566 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -72 | -25.9 | 177.7 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | A80 | A80-S83 PolarHBondContact O-N 3.2Š|
| 84 | H | 75.7 | Confident | 84.4 | Confident | 107 Ų | 107 | 69.7 Ų | 69.7 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -139.2 | 156.5 | 179 | -66.7 | -87.5 | 0 | 0 | 0 | 109.2 | N79 G82 V86 | N79-H84 PolarHBondContact ND2-CD2 3.38Å; G82-H84 VanDerWaalsContact C-N 3.31Å; G82-H84 PolarHBondContact O-N 3.44Å; H84-V86 PolarHBondContact O-N 3.18Å; H84-V86 VanDerWaalsContact O-N 3.14Å |
| 85 | P | 83.3 | Confident | 83.2 | Confident | 139 Ų | 139 | 65.7 Ų | 65.7 | 90% | 0.903 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -57.3 | -30 | 178.9 | -24.4 | 33.4 | 0 | 0 | 0 | 113.4 | ||
| 86 | V | 86.8 | Confident | 81.5 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 29% | 0.285 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -128.4 | 132.8 | 179.5 | -156.5 | 0 | 0 | 0 | 0 | 108.1 | L45 T58 H84 | L45-V86 WeakPolarHBondContact O-CG1 3.48Å; T58-V86 HydrophobicContact CG2-CG1 4.28Å; H84-V86 PolarHBondContact O-N 3.18Å; H84-V86 VanDerWaalsContact O-N 3.14Å |
| 87 | P | 88.6 | Confident | 79.7 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 15% | 0.149 | 43% | 0.427 | C | S | . | . | trans | -64.7 | 142.6 | 178.4 | 29 | -37.4 | 0 | 0 | 0 | 110.8 | I46 N47 N79 Y89 | I46-P87 HydrophobicContact CB-CG 4.37Å; I46-P87 HydrophobicContact CG2-CG 3.85Å; N47-P87 PolarHBondContact N-O 3.38Å; N79-P87 WeakPolarHBondContact OD1-CA 3.24Å; P87-Y89 HydrophobicContact CB-CE2 3.91Å; P87-Y89 HydrophobicContact CG-CE2 4.19Å | ||
| 88 | L | 89.8 | Confident | 78.1 | Confident | 41 Ų | 41 | 79.6 Ų | 79.6 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.8 | -172.4 | -178.1 | 67.3 | 0 | 0 | 0 | 109.5 | N47 I49 I78 N79 | N47-L88 HydrophobicContact CB-CD1 4.04Å; N47-L88 WeakPolarHBondContact O-CA 3.27Å; I49-L88 HydrophobicContact CG2-CD1 3.86Å; I78-L88 HydrophobicContact CD1-CD2 4.02Å; I78-L88 HydrophobicContact CD1-CG 3.94Å; I78-L88 PolarHBondContact N-O 3.23Å; N79-L88 HydrophobicContact CB-CB 4.29Å; N79-L88 VanDerWaalsContact CG-N 3.25Å; N79-L88 VanDerWaalsContact ND2-CB 3.33Å; N79-L88 WeakPolarHBondContact ND2-CB 3.5Å; N79-L88 PolarHBondContact ND2-N 3.25Å; N79-L88 VanDerWaalsContact ND2-N 3.12Å; N79-L88 PolarHBondContact OD1-N 2.86Å; N79-L88 PolarHBondContact OD1-O 3.21Å |
| 89 | Y | 91.9 | Very high | 76.4 | Confident | 32 Ų | 32 | 81.3 Ų | 81.3 | 13% | 0.125 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145 | 178.4 | -72.1 | -104.6 | 0 | 0 | 0 | 110.9 | I46 N47 V48 I49 L61 L75 V76 Q77 P87 | I46-Y89 HydrophobicContact CB-CD2 3.78Å; I46-Y89 HydrophobicContact CB-CE2 4.01Å; I46-Y89 HydrophobicContact CD1-CD1 4.46Å; I46-Y89 HydrophobicContact CD1-CD2 3.55Å; I46-Y89 HydrophobicContact CD1-CE2 4.07Å; I46-Y89 HydrophobicContact CD1-CG 3.77Å; I46-Y89 HydrophobicContact CG1-CD2 4.28Å; I46-Y89 HydrophobicContact CG2-CD2 4.03Å; I46-Y89 HydrophobicContact CG2-CE2 3.71Å; N47-Y89 PolarHBondContact O-N 3.04Å; V48-Y89 CarbonylContact C-O 3.54Å; V48-Y89 WeakPolarHBondContact CA-O 3.26Å; I49-Y89 WeakPolarHBondContact CG1-O 3.48Å; I49-Y89 PolarHBondContact N-O 2.87Å; L61-Y89 HydrophobicContact CD1-CE1 4.5Å; L75-Y89 HydrophobicContact CD1-CD1 4.39Å; L75-Y89 HydrophobicContact CD1-CG 4.35Å; L75-Y89 HydrophobicContact CD2-CD1 4.09Å; L75-Y89 HydrophobicContact CD2-CG 4.47Å; L75-Y89 HydrophobicContact CG-CD1 3.78Å; L75-Y89 HydrophobicContact CG-CG 4.2Å; V76-Y89 CarbonylContact O-C 3.33Å; V76-Y89 VanDerWaalsContact O-CA 3.27Å; V76-Y89 WeakPolarHBondContact O-CA 3.24Å; Q77-Y89 VanDerWaalsContact CA-CD1 3.44Å; Q77-Y89 HydrophobicContact CB-CD1 3.78Å; Q77-Y89 HydrophobicContact CB-CE1 3.42Å; Q77-Y89 VanDerWaalsContact CB-CE1 3.42Å; Q77-Y89 HydrophobicContact CB-CE2 4.49Å; Q77-Y89 HydrophobicContact CB-CG 4.46Å; Q77-Y89 HydrophobicContact CG-CD1 4.33Å; Q77-Y89 HydrophobicContact CG-CE1 3.87Å; Q77-Y89 HydrophobicContact CG-CE2 4.06Å; Q77-Y89 PolarHBondContact OE1-OH 2.82Å; P87-Y89 HydrophobicContact CB-CE2 3.91Å; P87-Y89 HydrophobicContact CG-CE2 4.19Å |
| 90 | R | 91.8 | Very high | 74.9 | Confident | 83 Ų | 83 | 86.7 Ų | 86.7 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.7 | 172.4 | -179.2 | 176.8 | -74.9 | 178.7 | -5.2 | 110.4 | I49 D53 V76 I78 Q92 | I49-R90 HydrophobicContact CD1-CB 4.13Å; I49-R90 HydrophobicContact CD1-CG 4.29Å; I49-R90 HydrophobicContact CG1-CB 3.71Å; I49-R90 HydrophobicContact CG1-CG 3.99Å; I49-R90 CarbonylContact O-C 3.56Å; I49-R90 VanDerWaalsContact O-CA 3.31Å; I49-R90 WeakPolarHBondContact O-CA 3.21Å; D53-R90 IonicContact OD1-CZ 2.71Å; D53-R90 IonicContact OD1-NE 3.17Å; D53-R90 IonicContact OD1-NH2 2.84Å; D53-R90 PolarHBondContact OD1-NH2 2.96Å; V76-R90 PolarHBondContact N-O 2.93Å; V76-R90 PolarHBondContact O-N 3.32Å; I78-R90 HydrophobicContact CD1-CB 3.52Å; I78-R90 HydrophobicContact CG1-CB 3.77Å; R90-Q92 HydrophobicContact CB-CG 4.34Å; R90-Q92 HydrophobicContact CG-CG 3.86Å; R90-Q92 PolarHBondContact O-N 3.42Å |
| 91 | L | 90.1 | Very high | 73.8 | Confident | 0 Ų | 0 | 91.5 Ų | 91.5 | 0% | 0 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 112.9 | 162.2 | -63.4 | 178.4 | 0 | 0 | 0 | 108.6 | V48 I49 S51 L56 M67 A68 K71 L73 R74 L75 | V48-L91 HydrophobicContact CG1-CD1 4.32Å; V48-L91 HydrophobicContact CG1-CD2 4.46Å; V48-L91 HydrophobicContact CG1-CG 3.95Å; I49-L91 PolarHBondContact O-N 3.02Å; S51-L91 PolarHBondContact N-O 3.36Å; S51-L91 PolarHBondContact OG-O 3Å; L56-L91 HydrophobicContact CD1-CD1 3.69Å; M67-L91 HydrophobicContact CG-CD1 4.44Å; M67-L91 HydrophobicContact SD-CD1 4.32Å; A68-L91 HydrophobicContact CB-CD2 3.5Å; A68-L91 VanDerWaalsContact CB-CD2 3.5Å; K71-L91 HydrophobicContact CD-CD1 4.12Å; L73-L91 HydrophobicContact CB-CB 4.23Å; L73-L91 HydrophobicContact CD1-CB 3.8Å; L73-L91 HydrophobicContact CD1-CD1 4.33Å; R74-L91 WeakPolarHBondContact O-CA 3.5Å; L75-L91 HydrophobicContact CB-CD2 4.37Å; L75-L91 HydrophobicContact CD1-CD2 3.67Å; L75-L91 HydrophobicContact CD1-CG 4.46Å |
| 92 | Q | 87.4 | Confident | 73 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 33% | 0.327 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.5 | 176.7 | -63.9 | -173.8 | 19 | 0 | 0 | 109.4 | R74 V76 R90 S94 | R74-Q92 PolarHBondContact N-O 3.18Å; R74-Q92 PolarHBondContact O-N 3.33Å; V76-Q92 HydrophobicContact CB-CG 4.27Å; V76-Q92 HydrophobicContact CG2-CB 4.16Å; V76-Q92 HydrophobicContact CG2-CG 4.06Å; R90-Q92 HydrophobicContact CB-CG 4.34Å; R90-Q92 HydrophobicContact CG-CG 3.86Å; R90-Q92 PolarHBondContact O-N 3.42Å; Q92-S94 PolarHBondContact O-N 2.94Å |
| 93 | A | 82.5 | Confident | 72.2 | Confident | 55 Ų | 55 | 93.2 Ų | 93.2 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 134.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L73 V95 | L73-A93 HydrophobicContact CD2-CB 4.01Å; A93-V95 VanDerWaalsContact C-N 3.28Å; A93-V95 PolarHBondContact O-N 3.4Å |
| 94 | S | 69.6 | Low | 71.2 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 54% | 0.538 | 49% | 0.492 | S | S | . | . | trans | -59.4 | 103 | 167.8 | 54.6 | 0 | 0 | 0 | 0 | 105.8 | Q92 S96 | Q92-S94 PolarHBondContact O-N 2.94Å; S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 3.15Å | ||
| 95 | V | 62.7 | Low | 70.6 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | trans | -57.2 | 101.2 | -170.6 | -172.1 | 0 | 0 | 0 | 0 | 106.1 | A93 K97 E100 | A93-V95 VanDerWaalsContact C-N 3.28Å; A93-V95 PolarHBondContact O-N 3.4Å; V95-K97 PolarHBondContact O-N 3.48Å; V95-E100 WeakPolarHBondContact CG1-OE2 3.21Å | ||
| 96 | S | 54.4 | Low | 69.9 | Low | 71 Ų | 71 | 101.6 Ų | 101.6 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | trans | -69 | 87 | 172.5 | -75.5 | 0 | 0 | 0 | 0 | 103.5 | S94 R98 N99 | S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 3.15Å; S96-R98 PolarHBondContact O-N 3.43Å; S96-N99 PolarHBondContact O-N 2.9Å | ||
| 97 | K | 53.2 | Low | 69.2 | Low | 152 Ų | 152 | 103.7 Ų | 103.7 | 66% | 0.661 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -50.2 | -3.4 | 169.1 | -68 | -179.7 | 177.7 | 176.4 | 0 | 112.5 | V95 K101 | V95-K97 PolarHBondContact O-N 3.48Å; K97-K101 WeakPolarHBondContact O-CD 3.43Å; K97-K101 VanDerWaalsContact O-CG 3.27Å; K97-K101 WeakPolarHBondContact O-CG 3.22Å |
| 98 | R | 56.3 | Low | 69 | Low | 218 Ų | 218 | 108.7 Ų | 108.7 | 82% | 0.823 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.5 | -34.2 | 168.7 | -64.9 | -175.2 | -178.7 | 174.3 | 2.4 | 113 | S96 | S96-R98 PolarHBondContact O-N 3.43Å |
| 99 | N | 53 | Low | 69 | Low | 115 Ų | 115 | 114 Ų | 114 | 62% | 0.615 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -89.2 | -32.6 | -173 | -71 | -4.5 | 0 | 0 | 0 | 114.3 | S96 S102 | S96-N99 PolarHBondContact O-N 2.9Å; N99-S102 PolarHBondContact O-OG 3.46Å |
| 100 | E | 52.5 | Low | 69.1 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79.1 | -31.9 | 179 | -69.6 | 172.7 | 92.1 | 0 | 0 | 112.3 | V95 S102 Q103 K104 | V95-E100 WeakPolarHBondContact CG1-OE2 3.21Å; E100-S102 PolarHBondContact O-N 3.16Å; E100-Q103 PolarHBondContact O-N 3.22Å; E100-Q103 VanDerWaalsContact O-N 3.16Å; E100-K104 PolarHBondContact O-N 3.49Å |
| 101 | K | 54.7 | Low | 69.2 | Low | 173 Ų | 173 | 116 Ų | 116 | 75% | 0.752 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.3 | -22.3 | 173.9 | -73.5 | -175.7 | -177.5 | -173.7 | 0 | 113 | K97 | K97-K101 WeakPolarHBondContact O-CD 3.43Å; K97-K101 VanDerWaalsContact O-CG 3.27Å; K97-K101 WeakPolarHBondContact O-CG 3.22Å |
| 102 | S | 56.3 | Low | 69.5 | Low | 91 Ų | 91 | 116.6 Ų | 116.6 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -82.4 | -23.8 | 177.2 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | N99 E100 | N99-S102 PolarHBondContact O-OG 3.46Å; E100-S102 PolarHBondContact O-N 3.16Å |
| 103 | Q | 57.6 | Low | 69.8 | Low | 159 Ų | 159 | 122.2 Ų | 122.2 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -97.4 | -24.5 | -175.4 | -67.5 | -165.1 | 18.6 | 0 | 0 | 115.2 | E100 R105 | E100-Q103 PolarHBondContact O-N 3.22Å; E100-Q103 VanDerWaalsContact O-N 3.16Å; Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 PolarHBondContact O-N 2.97Å |
| 104 | K | 57.9 | Low | 70.3 | Confident | 146 Ų | 146 | 120 Ų | 120 | 64% | 0.635 | 57% | 0.57 | S | S | * | * | trans | -65.6 | 100.1 | 172.1 | -163.4 | -179.9 | 172.7 | -155.2 | 0 | 107.5 | E100 E106 | E100-K104 PolarHBondContact O-N 3.49Å; K104-E106 HydrophobicContact CB-CG 4.22Å; K104-E106 HydrophobicContact CD-CG 3.75Å; K104-E106 WeakPolarHBondContact CD-OE1 3.46Å; K104-E106 WeakPolarHBondContact CE-OE1 3.38Å; K104-E106 HydrophobicContact CG-CG 3.69Å; K104-E106 IonicContact NZ-OE1 3.06Å; K104-E106 PolarHBondContact NZ-OE1 3.38Å; K104-E106 PolarHBondContact O-N 3.28Å | ||
| 105 | R | 61.4 | Low | 71.4 | Confident | 243 Ų | 243 | 120.5 Ų | 120.5 | 92% | 0.917 | 56% | 0.564 | S | S | * | * | trans | -68 | 64.5 | 172.9 | -63.4 | 179.9 | -176.4 | 175.9 | 1.2 | 108.3 | Q103 V107 | Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 PolarHBondContact O-N 2.97Å; R105-V107 PolarHBondContact O-N 3.43Å; R105-V107 VanDerWaalsContact O-N 3.14Å | ||
| 106 | E | 69.4 | Low | 72.5 | Confident | 114 Ų | 114 | 116.6 Ų | 116.6 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | trans | -62.3 | 119 | 171.8 | -62.8 | -173.4 | 142.1 | 0 | 0 | 106.4 | K104 K108 | K104-E106 HydrophobicContact CB-CG 4.22Å; K104-E106 HydrophobicContact CD-CG 3.75Å; K104-E106 WeakPolarHBondContact CD-OE1 3.46Å; K104-E106 WeakPolarHBondContact CE-OE1 3.38Å; K104-E106 HydrophobicContact CG-CG 3.69Å; K104-E106 IonicContact NZ-OE1 3.06Å; K104-E106 PolarHBondContact NZ-OE1 3.38Å; K104-E106 PolarHBondContact O-N 3.28Å; E106-K108 WeakPolarHBondContact O-CG 3.33Å; E106-K108 PolarHBondContact O-N 2.67Å | ||
| 107 | V | 72.7 | Confident | 74 | Confident | 91 Ų | 91 | 116.6 Ų | 116.6 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | trans | -60.7 | 106.9 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | R105 H109 V139 | R105-V107 PolarHBondContact O-N 3.43Å; R105-V107 VanDerWaalsContact O-N 3.14Å; V107-H109 PolarHBondContact O-CD2 3.07Å; V107-H109 PolarHBondContact O-N 3.33Å; V107-V139 HydrophobicContact CG1-CG2 3.87Å | ||
| 108 | K | 83.9 | Confident | 75.8 | Confident | 129 Ų | 129 | 111.4 Ų | 111.4 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | trans | -84 | 119.6 | -178.9 | -67 | 179 | -173.7 | 175.7 | 0 | 108.5 | E106 C138 V139 | E106-K108 WeakPolarHBondContact O-CG 3.33Å; E106-K108 PolarHBondContact O-N 2.67Å; K108-C138 VanDerWaalsContact O-CA 3.26Å; K108-C138 WeakPolarHBondContact O-CA 3.45Å; K108-C138 VanDerWaalsContact O-CB 3.24Å; K108-C138 WeakPolarHBondContact O-CB 3.43Å; K108-V139 PolarHBondContact O-N 3.26Å; K108-V139 VanDerWaalsContact O-N 3.15Å | ||
| 109 | H | 89.7 | Confident | 77.5 | Confident | 151 Ų | 151 | 103.5 Ų | 103.5 | 70% | 0.699 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.9 | 169.1 | -65.7 | -118 | 0 | 0 | 0 | 107.9 | V107 V139 | V107-H109 PolarHBondContact O-CD2 3.07Å; V107-H109 PolarHBondContact O-N 3.33Å; H109-V139 WeakPolarHBondContact CA-O 3.35Å |
| 110 | K | 94 | Very high | 79.3 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 34% | 0.335 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.5 | 178.3 | -65.9 | -168.4 | 176.9 | -174.9 | 0 | 110.8 | M133 V139 V140 R141 | K110-M133 HydrophobicContact CB-CE 3.14Å; K110-M133 HydrophobicContact CD-CE 3.38Å; K110-M133 HydrophobicContact CD-CG 4.29Å; K110-M133 HydrophobicContact CG-CE 3.89Å; K110-V139 PolarHBondContact N-O 3.2Å; K110-V140 CarbonylContact O-C 3.55Å; K110-V140 WeakPolarHBondContact O-CA 3.33Å; K110-R141 PolarHBondContact O-N 3.22Å |
| 111 | V | 94.8 | Very high | 81.3 | Confident | 82 Ų | 82 | 105.6 Ų | 105.6 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.1 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 109 | R113 R141 E143 | V111-R113 HydrophobicContact CG1-CG 4.26Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 VanDerWaalsContact CA-O 3.27Å; V111-R141 WeakPolarHBondContact CA-O 3.27Å; V111-R141 HydrophobicContact CG2-CB 4.42Å; V111-E143 HydrophobicContact CG1-CG 3.93Å |
| 112 | L | 95.1 | Very high | 83.1 | Confident | 12 Ų | 12 | 101.2 Ų | 101.2 | 6% | 0.063 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112 | 172.8 | -175.7 | 65.6 | 0 | 0 | 0 | 109.4 | L114 K126 L130 V140 R141 V142 E143 | L112-L114 HydrophobicContact CG-CD2 4.42Å; L112-K126 HydrophobicContact CD1-CD 3.97Å; L112-K126 HydrophobicContact CD2-CB 4.37Å; L112-L130 HydrophobicContact CD2-CB 4.49Å; L112-L130 HydrophobicContact CD2-CD1 3.72Å; L112-L130 HydrophobicContact CD2-CG 3.61Å; L112-V140 HydrophobicContact CB-CG1 4.15Å; L112-R141 PolarHBondContact N-O 2.96Å; L112-V142 HydrophobicContact CB-CG2 4.32Å; L112-V142 CarbonylContact O-C 3.52Å; L112-V142 VanDerWaalsContact O-CA 3.32Å; L112-V142 WeakPolarHBondContact O-CA 3.47Å; L112-E143 PolarHBondContact O-N 3.18Å |
| 113 | R | 94.6 | Very high | 84.8 | Confident | 187 Ų | 187 | 97.8 Ų | 97.8 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 132.9 | 177.8 | -64.9 | 180 | 174.7 | 167.9 | 1.1 | 110.9 | V111 E143 | V111-R113 HydrophobicContact CG1-CG 4.26Å; R113-E143 CarbonylContact C-O 3.59Å; R113-E143 WeakPolarHBondContact CA-O 3.36Å; R113-E143 HydrophobicContact CG-CB 4.43Å; R113-E143 IonicContact NE-OE2 2.78Å; R113-E143 PolarHBondContact NE-OE2 2.97Å |
| 114 | L | 93 | Very high | 86.6 | Confident | 9 Ų | 9 | 94.6 Ų | 94.6 | 5% | 0.047 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.2 | 178.7 | -60.9 | 177.2 | 0 | 0 | 0 | 109.1 | L112 I118 K126 V142 E143 V144 S145 L157 I161 | L112-L114 HydrophobicContact CG-CD2 4.42Å; L114-I118 HydrophobicContact CD2-CD1 3.97Å; L114-K126 HydrophobicContact CD2-CB 3.75Å; L114-K126 HydrophobicContact CD2-CD 3.67Å; L114-K126 HydrophobicContact CD2-CG 3.48Å; L114-K126 VanDerWaalsContact CD2-CG 3.48Å; L114-V142 HydrophobicContact CD1-CG1 3.63Å; L114-V142 HydrophobicContact CG-CG1 4.26Å; L114-E143 PolarHBondContact N-O 3.39Å; L114-V144 HydrophobicContact CB-CG2 4.31Å; L114-V144 HydrophobicContact CD1-CG2 4.5Å; L114-V144 CarbonylContact O-C 3.48Å; L114-V144 WeakPolarHBondContact O-CA 3.41Å; L114-S145 PolarHBondContact O-N 3.02Å; L114-L157 HydrophobicContact CD1-CD2 4.09Å; L114-I161 HydrophobicContact CD1-CD1 3.53Å |
| 115 | H | 91.8 | Very high | 88.4 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 41% | 0.407 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 146.8 | 173.5 | -166.5 | -101 | 0 | 0 | 0 | 110.1 | S117 I118 S145 | H115-S117 PolarHBondContact ND1-N 2.73Å; H115-S117 PolarHBondContact O-N 2.79Å; H115-I118 WeakPolarHBondContact O-CB 3.47Å; H115-I118 WeakPolarHBondContact O-CG2 3.31Å; H115-I118 PolarHBondContact O-N 2.79Å; H115-S145 CarbonylContact C-O 3.57Å; H115-S145 WeakPolarHBondContact CA-O 3.48Å; H115-S145 PolarHBondContact CD2-O 3.49Å |
| 116 | A | 86.5 | Confident | 90 | Very high | 8 Ų | 8 | 83.7 Ų | 83.7 | 7% | 0.066 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I118 S145 G146 F152 | A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 3.14Å; A116-S145 PolarHBondContact N-O 3.22Å; A116-G146 VanDerWaalsContact CB-CA 3.48Å; A116-F152 HydrophobicContact CB-CB 4.02Å |
| 117 | S | 85.9 | Confident | 91.1 | Very high | 72 Ų | 72 | 79.4 Ų | 79.4 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 21.1 | 178.2 | -168.9 | 0 | 0 | 0 | 0 | 114 | H115 | H115-S117 PolarHBondContact ND1-N 2.73Å; H115-S117 PolarHBondContact O-N 2.79Å |
| 118 | I | 91.2 | Very high | 92.2 | Very high | 42 Ų | 42 | 82.8 Ų | 82.8 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | trans | -64.7 | 145.2 | 178.3 | -167.8 | 170.2 | 0 | 0 | 0 | 111.5 | L114 H115 A116 D122 L123 K126 L157 | L114-I118 HydrophobicContact CD2-CD1 3.97Å; H115-I118 WeakPolarHBondContact O-CB 3.47Å; H115-I118 WeakPolarHBondContact O-CG2 3.31Å; H115-I118 PolarHBondContact O-N 2.79Å; A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 3.14Å; I118-D122 HydrophobicContact CD1-CB 3.83Å; I118-D122 HydrophobicContact CG1-CB 3.54Å; I118-L123 HydrophobicContact CG2-CB 4.46Å; I118-K126 HydrophobicContact CD1-CG 4.04Å; I118-L157 HydrophobicContact CG2-CD1 3.59Å | ||
| 119 | S | 91.8 | Very high | 92.7 | Very high | 53 Ų | 53 | 80.9 Ų | 80.9 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | trans | -72.6 | 159 | 173.9 | 86.6 | 0 | 0 | 0 | 0 | 111.9 | H121 D122 L123 | S119-H121 VanDerWaalsContact C-N 3.31Å; S119-H121 PolarHBondContact O-N 3.28Å; S119-D122 WeakPolarHBondContact CB-OD2 3.44Å; S119-D122 PolarHBondContact O-N 3.16Å; S119-D122 WeakPolarHBondContact OG-CB 3.46Å; S119-D122 PolarHBondContact OG-N 3.21Å; S119-D122 VanDerWaalsContact OG-N 3.08Å; S119-D122 PolarHBondContact OG-OD2 2.78Å; S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 2.73Å | ||
| 120 | E | 90.5 | Very high | 92.9 | Very high | 149 Ų | 149 | 73.7 Ų | 73.7 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -36.6 | 177 | -60.9 | -173.1 | 160.1 | 0 | 0 | 112.4 | L123 T124 | E120-L123 PolarHBondContact O-N 2.71Å; E120-T124 PolarHBondContact O-N 2.86Å; E120-T124 VanDerWaalsContact O-N 3.08Å; E120-T124 PolarHBondContact O-OG1 3.09Å |
| 121 | H | 94.4 | Very high | 92.8 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 65% | 0.653 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.9 | -49 | 176.2 | -179.1 | 71.5 | 0 | 0 | 0 | 111.1 | S119 L123 T124 V125 | S119-H121 VanDerWaalsContact C-N 3.31Å; S119-H121 PolarHBondContact O-N 3.28Å; H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 2.78Å; H121-T124 WeakPolarHBondContact O-CB 3.36Å; H121-T124 PolarHBondContact O-N 3.41Å; H121-V125 PolarHBondContact O-N 3.23Å |
| 122 | D | 93.2 | Very high | 92.7 | Very high | 82 Ų | 82 | 72.1 Ų | 72.1 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 178 | -72.3 | -69.8 | 0 | 0 | 0 | 111.7 | I118 S119 T124 V125 K126 | I118-D122 HydrophobicContact CD1-CB 3.83Å; I118-D122 HydrophobicContact CG1-CB 3.54Å; S119-D122 WeakPolarHBondContact CB-OD2 3.44Å; S119-D122 PolarHBondContact O-N 3.16Å; S119-D122 WeakPolarHBondContact OG-CB 3.46Å; S119-D122 PolarHBondContact OG-N 3.21Å; S119-D122 VanDerWaalsContact OG-N 3.08Å; S119-D122 PolarHBondContact OG-OD2 2.78Å; D122-T124 VanDerWaalsContact C-N 3.28Å; D122-T124 PolarHBondContact O-N 2.92Å; D122-V125 PolarHBondContact O-N 2.71Å; D122-K126 VanDerWaalsContact O-CG 3.24Å; D122-K126 WeakPolarHBondContact O-CG 3.27Å; D122-K126 PolarHBondContact O-N 2.81Å |
| 123 | L | 92.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 175.2 | 180 | 61.8 | 0 | 0 | 0 | 111.1 | I118 S119 E120 H121 V125 K126 I127 L157 I161 | I118-L123 HydrophobicContact CG2-CB 4.46Å; S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 2.73Å; E120-L123 PolarHBondContact O-N 2.71Å; H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 2.78Å; L123-V125 PolarHBondContact O-N 2.66Å; L123-K126 WeakPolarHBondContact O-CB 3.48Å; L123-K126 PolarHBondContact O-N 3.05Å; L123-I127 HydrophobicContact CD1-CD1 4.23Å; L123-I127 HydrophobicContact CD1-CG1 4.41Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.33Å; L123-I127 PolarHBondContact O-N 2.85Å; L123-L157 HydrophobicContact CD1-CD2 4.37Å; L123-I161 HydrophobicContact CD1-CD1 4.44Å; L123-I161 HydrophobicContact CD1-CG1 4.14Å |
| 124 | T | 93.7 | Very high | 92.3 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 56% | 0.564 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.3 | -43.4 | 177.3 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | E120 H121 D122 K126 I127 K128 | E120-T124 PolarHBondContact O-N 2.86Å; E120-T124 VanDerWaalsContact O-N 3.08Å; E120-T124 PolarHBondContact O-OG1 3.09Å; H121-T124 WeakPolarHBondContact O-CB 3.36Å; H121-T124 PolarHBondContact O-N 3.41Å; D122-T124 VanDerWaalsContact C-N 3.28Å; D122-T124 PolarHBondContact O-N 2.92Å; T124-K126 VanDerWaalsContact C-N 3.32Å; T124-K126 PolarHBondContact O-N 2.68Å; T124-I127 PolarHBondContact O-N 2.81Å; T124-K128 PolarHBondContact O-N 3.3Å |
| 125 | V | 95.7 | Very high | 92.1 | Very high | 82 Ų | 82 | 67.4 Ų | 67.4 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 111 | H121 D122 L123 K128 H129 | H121-V125 PolarHBondContact O-N 3.23Å; D122-V125 PolarHBondContact O-N 2.71Å; L123-V125 PolarHBondContact O-N 2.66Å; V125-K128 PolarHBondContact O-N 2.77Å; V125-H129 PolarHBondContact O-N 3.28Å |
| 126 | K | 94.8 | Very high | 92 | Very high | 78 Ų | 78 | 69.2 Ų | 69.2 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 177.8 | -67 | -73 | -179 | -176.6 | 0 | 112.5 | L112 L114 I118 D122 L123 T124 H129 L130 | L112-K126 HydrophobicContact CD1-CD 3.97Å; L112-K126 HydrophobicContact CD2-CB 4.37Å; L114-K126 HydrophobicContact CD2-CB 3.75Å; L114-K126 HydrophobicContact CD2-CD 3.67Å; L114-K126 HydrophobicContact CD2-CG 3.48Å; L114-K126 VanDerWaalsContact CD2-CG 3.48Å; I118-K126 HydrophobicContact CD1-CG 4.04Å; D122-K126 VanDerWaalsContact O-CG 3.24Å; D122-K126 WeakPolarHBondContact O-CG 3.27Å; D122-K126 PolarHBondContact O-N 2.81Å; L123-K126 WeakPolarHBondContact O-CB 3.48Å; L123-K126 PolarHBondContact O-N 3.05Å; T124-K126 VanDerWaalsContact C-N 3.32Å; T124-K126 PolarHBondContact O-N 2.68Å; K126-H129 WeakPolarHBondContact O-CB 3.44Å; K126-H129 PolarHBondContact O-N 3.2Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 PolarHBondContact O-N 3.48Å |
| 127 | I | 94.1 | Very high | 92 | Very high | 24 Ų | 24 | 70.6 Ų | 70.6 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 174.1 | -70.4 | 164.8 | 0 | 0 | 0 | 110.5 | L123 T124 H129 L130 L131 E164 L165 | L123-I127 HydrophobicContact CD1-CD1 4.23Å; L123-I127 HydrophobicContact CD1-CG1 4.41Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.33Å; L123-I127 PolarHBondContact O-N 2.85Å; T124-I127 PolarHBondContact O-N 2.81Å; I127-H129 VanDerWaalsContact C-N 3.31Å; I127-H129 PolarHBondContact O-N 3.46Å; I127-L130 VanDerWaalsContact O-CB 3.25Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.12Å; I127-L131 PolarHBondContact O-N 3.2Å; I127-E164 HydrophobicContact CD1-CB 3.81Å; I127-E164 HydrophobicContact CD1-CG 3.81Å; I127-L165 HydrophobicContact CG2-CD2 3.96Å; I127-L165 HydrophobicContact CG2-CG 4.48Å |
| 128 | K | 94.4 | Very high | 92.1 | Very high | 162 Ų | 162 | 67.4 Ų | 67.4 | 70% | 0.704 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.2 | -42 | 174.3 | -175.3 | 179.2 | 179.2 | 178.6 | 0 | 111.7 | T124 V125 L131 D132 | T124-K128 PolarHBondContact O-N 3.3Å; V125-K128 PolarHBondContact O-N 2.77Å; K128-L131 PolarHBondContact O-N 2.76Å; K128-D132 PolarHBondContact O-N 2.84Å |
| 129 | H | 94.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.7 | -169.6 | 62.1 | 0 | 0 | 0 | 112 | V125 K126 I127 L131 D132 M133 | V125-H129 PolarHBondContact O-N 3.28Å; K126-H129 WeakPolarHBondContact O-CB 3.44Å; K126-H129 PolarHBondContact O-N 3.2Å; I127-H129 VanDerWaalsContact C-N 3.31Å; I127-H129 PolarHBondContact O-N 3.46Å; H129-L131 VanDerWaalsContact C-N 3.31Å; H129-L131 PolarHBondContact O-N 3.33Å; H129-D132 PolarHBondContact O-N 3.35Å; H129-M133 PolarHBondContact CD2-SD 3.2Å; H129-M133 PolarHBondContact NE2-SD 3.31Å; H129-M133 WeakPolarHBondContact O-CG 3.12Å; H129-M133 PolarHBondContact O-N 2.77Å |
| 130 | L | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.9 | -47.6 | 172.5 | -110.7 | 162.9 | 0 | 0 | 0 | 111.6 | L112 K126 I127 M133 L134 V140 V142 L165 L185 | L112-L130 HydrophobicContact CD2-CB 4.49Å; L112-L130 HydrophobicContact CD2-CD1 3.72Å; L112-L130 HydrophobicContact CD2-CG 3.61Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 PolarHBondContact O-N 3.48Å; I127-L130 VanDerWaalsContact O-CB 3.25Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.12Å; L130-M133 PolarHBondContact O-N 3.17Å; L130-L134 HydrophobicContact CD2-CD1 4.47Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.04Å; L130-V140 HydrophobicContact CD2-CB 3.74Å; L130-V140 HydrophobicContact CD2-CG1 3.5Å; L130-V140 VanDerWaalsContact CD2-CG1 3.5Å; L130-V140 HydrophobicContact CD2-CG2 4.16Å; L130-V140 HydrophobicContact CG-CG1 4.39Å; L130-V142 HydrophobicContact CD1-CG2 3.68Å; L130-V142 HydrophobicContact CD2-CG2 3.91Å; L130-V142 HydrophobicContact CG-CG2 4.18Å; L130-L165 HydrophobicContact CD1-CD1 4.22Å; L130-L185 HydrophobicContact CD2-CD1 3.86Å |
| 131 | L | 91.9 | Very high | 92.6 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 178.5 | -174.6 | 62.1 | 0 | 0 | 0 | 111.8 | I127 K128 H129 M133 L134 S135 K168 | I127-L131 PolarHBondContact O-N 3.2Å; K128-L131 PolarHBondContact O-N 2.76Å; H129-L131 VanDerWaalsContact C-N 3.31Å; H129-L131 PolarHBondContact O-N 3.33Å; L131-M133 VanDerWaalsContact C-N 3.29Å; L131-M133 PolarHBondContact O-N 2.83Å; L131-L134 PolarHBondContact O-N 3.41Å; L131-S135 WeakPolarHBondContact O-CB 3.46Å; L131-S135 PolarHBondContact O-N 3.33Å; L131-S135 PolarHBondContact O-OG 2.83Å; L131-S135 VanDerWaalsContact O-OG 3.04Å; L131-K168 HydrophobicContact CD1-CB 4.23Å; L131-K168 HydrophobicContact CD1-CD 3.88Å; L131-K168 HydrophobicContact CD2-CD 4.2Å |
| 132 | D | 92.8 | Very high | 92.6 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 175.5 | 174.2 | 59.4 | 0 | 0 | 0 | 112.4 | K128 H129 K136 | K128-D132 PolarHBondContact O-N 2.84Å; H129-D132 PolarHBondContact O-N 3.35Å; D132-K136 WeakPolarHBondContact O-CD 3.41Å; D132-K136 WeakPolarHBondContact O-CG 3.45Å; D132-K136 PolarHBondContact O-N 3.35Å; D132-K136 WeakPolarHBondContact OD1-CE 3.42Å; D132-K136 IonicContact OD1-NZ 3.55Å; D132-K136 PolarHBondContact OD1-NZ 2.85Å; D132-K136 VanDerWaalsContact OD1-NZ 3.07Å; D132-K136 IonicContact OD2-NZ 2.7Å; D132-K136 PolarHBondContact OD2-NZ 3.05Å |
| 133 | M | 91.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 175.5 | -65.4 | 162.5 | 79.6 | 0 | 0 | 111.8 | K110 H129 L130 L131 K136 C138 V140 | K110-M133 HydrophobicContact CB-CE 3.14Å; K110-M133 HydrophobicContact CD-CE 3.38Å; K110-M133 HydrophobicContact CD-CG 4.29Å; K110-M133 HydrophobicContact CG-CE 3.89Å; H129-M133 PolarHBondContact CD2-SD 3.2Å; H129-M133 PolarHBondContact NE2-SD 3.31Å; H129-M133 WeakPolarHBondContact O-CG 3.12Å; H129-M133 PolarHBondContact O-N 2.77Å; L130-M133 PolarHBondContact O-N 3.17Å; L131-M133 VanDerWaalsContact C-N 3.29Å; L131-M133 PolarHBondContact O-N 2.83Å; M133-K136 WeakPolarHBondContact O-CB 3.45Å; M133-K136 PolarHBondContact O-N 2.79Å; M133-C138 HydrophobicContact CB-CB 4.48Å; M133-C138 WeakPolarHBondContact O-CB 3.49Å; M133-C138 PolarHBondContact O-N 2.84Å; M133-C138 VanDerWaalsContact O-N 3.16Å; M133-V140 HydrophobicContact CB-CG2 3.59Å; M133-V140 HydrophobicContact CE-CB 4.42Å; M133-V140 HydrophobicContact CE-CG1 3.72Å; M133-V140 HydrophobicContact CE-CG2 3.86Å; M133-V140 HydrophobicContact SD-CG1 4.26Å; M133-V140 HydrophobicContact SD-CG2 4.3Å |
| 134 | L | 91 | Very high | 92.7 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.9 | -69.1 | 168.6 | 0 | 0 | 0 | 111.5 | L130 L131 K136 G137 V140 A169 L185 P187 | L130-L134 HydrophobicContact CD2-CD1 4.47Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.04Å; L131-L134 PolarHBondContact O-N 3.41Å; L134-K136 PolarHBondContact O-N 3.02Å; L134-G137 PolarHBondContact O-N 2.77Å; L134-V140 HydrophobicContact CD2-CG2 4.17Å; L134-V140 HydrophobicContact CG-CG2 4.34Å; L134-A169 HydrophobicContact CD1-CB 3.7Å; L134-L185 HydrophobicContact CD2-CB 4.19Å; L134-P187 HydrophobicContact CB-CB 4.45Å; L134-P187 HydrophobicContact CD2-CB 4.35Å |
| 135 | S | 88.9 | Confident | 92.5 | Very high | 97 Ų | 97 | 50 Ų | 50 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.6 | -25.2 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | L131 G137 | L131-S135 WeakPolarHBondContact O-CB 3.46Å; L131-S135 PolarHBondContact O-N 3.33Å; L131-S135 PolarHBondContact O-OG 2.83Å; L131-S135 VanDerWaalsContact O-OG 3.04Å; S135-G137 PolarHBondContact O-N 3.14Å |
| 136 | K | 88.1 | Confident | 92 | Very high | 125 Ų | 125 | 47 Ų | 47 | 54% | 0.543 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 5.1 | 174.3 | -69.6 | 166 | -177.4 | 165 | 0 | 113.3 | D132 M133 L134 C138 | D132-K136 WeakPolarHBondContact O-CD 3.41Å; D132-K136 WeakPolarHBondContact O-CG 3.45Å; D132-K136 PolarHBondContact O-N 3.35Å; D132-K136 WeakPolarHBondContact OD1-CE 3.42Å; D132-K136 IonicContact OD1-NZ 3.55Å; D132-K136 PolarHBondContact OD1-NZ 2.85Å; D132-K136 VanDerWaalsContact OD1-NZ 3.07Å; D132-K136 IonicContact OD2-NZ 2.7Å; D132-K136 PolarHBondContact OD2-NZ 3.05Å; M133-K136 WeakPolarHBondContact O-CB 3.45Å; M133-K136 PolarHBondContact O-N 2.79Å; L134-K136 PolarHBondContact O-N 3.02Å; K136-C138 VanDerWaalsContact C-N 3.28Å; K136-C138 PolarHBondContact O-N 3.01Å |
| 137 | G | 86.8 | Confident | 91.2 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 20.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L134 S135 | L134-G137 PolarHBondContact O-N 2.77Å; S135-G137 PolarHBondContact O-N 3.14Å |
| 138 | C | 89.4 | Confident | 90.1 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | trans | -84.5 | 139.5 | 178.1 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | K108 M133 K136 | K108-C138 VanDerWaalsContact O-CA 3.26Å; K108-C138 WeakPolarHBondContact O-CA 3.45Å; K108-C138 VanDerWaalsContact O-CB 3.24Å; K108-C138 WeakPolarHBondContact O-CB 3.43Å; M133-C138 HydrophobicContact CB-CB 4.48Å; M133-C138 WeakPolarHBondContact O-CB 3.49Å; M133-C138 PolarHBondContact O-N 2.84Å; M133-C138 VanDerWaalsContact O-N 3.16Å; K136-C138 VanDerWaalsContact C-N 3.28Å; K136-C138 PolarHBondContact O-N 3.01Å | ||
| 139 | V | 91.8 | Very high | 89 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123.9 | 167.2 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | V107 K108 H109 K110 V184 T186 | V107-V139 HydrophobicContact CG1-CG2 3.87Å; K108-V139 PolarHBondContact O-N 3.26Å; K108-V139 VanDerWaalsContact O-N 3.15Å; H109-V139 WeakPolarHBondContact CA-O 3.35Å; K110-V139 PolarHBondContact N-O 3.2Å; V139-V184 HydrophobicContact CG1-CG1 3.66Å; V139-T186 HydrophobicContact CG1-CG2 4.33Å; V139-T186 HydrophobicContact CG2-CG2 3.87Å |
| 140 | V | 95.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.2 | -172.9 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | K110 L112 L130 M133 L134 V142 L185 | K110-V140 CarbonylContact O-C 3.55Å; K110-V140 WeakPolarHBondContact O-CA 3.33Å; L112-V140 HydrophobicContact CB-CG1 4.15Å; L130-V140 HydrophobicContact CD2-CB 3.74Å; L130-V140 HydrophobicContact CD2-CG1 3.5Å; L130-V140 VanDerWaalsContact CD2-CG1 3.5Å; L130-V140 HydrophobicContact CD2-CG2 4.16Å; L130-V140 HydrophobicContact CG-CG1 4.39Å; M133-V140 HydrophobicContact CB-CG2 3.59Å; M133-V140 HydrophobicContact CE-CB 4.42Å; M133-V140 HydrophobicContact CE-CG1 3.72Å; M133-V140 HydrophobicContact CE-CG2 3.86Å; M133-V140 HydrophobicContact SD-CG1 4.26Å; M133-V140 HydrophobicContact SD-CG2 4.3Å; L134-V140 HydrophobicContact CD2-CG2 4.17Å; L134-V140 HydrophobicContact CG-CG2 4.34Å; V140-V142 HydrophobicContact CG1-CG2 4.3Å; V140-L185 PolarHBondContact N-O 2.73Å; V140-L185 PolarHBondContact O-N 2.85Å |
| 141 | R | 95.3 | Very high | 86.1 | Confident | 113 Ų | 113 | 58 Ų | 58 | 43% | 0.426 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.4 | 170.3 | 176.3 | 176.6 | 164.5 | 164.5 | -1.4 | 109.1 | K110 V111 L112 E143 V182 V184 | K110-R141 PolarHBondContact O-N 3.22Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 VanDerWaalsContact CA-O 3.27Å; V111-R141 WeakPolarHBondContact CA-O 3.27Å; V111-R141 HydrophobicContact CG2-CB 4.42Å; L112-R141 PolarHBondContact N-O 2.96Å; R141-E143 HydrophobicContact CG-CG 4.2Å; R141-E143 IonicContact CZ-OE1 2.71Å; R141-E143 IonicContact NE-OE1 3.53Å; R141-E143 PolarHBondContact NE-OE1 2.89Å; R141-E143 IonicContact NH2-OE1 3.88Å; R141-E143 PolarHBondContact NH2-OE1 3.36Å; R141-V182 HydrophobicContact CG-CG1 3.73Å; R141-V184 HydrophobicContact CB-CG2 4.43Å; R141-V184 HydrophobicContact CG-CG2 4.39Å |
| 142 | V | 95.2 | Very high | 85 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.4 | 176 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L112 L114 L130 V140 V144 I161 V182 I183 L185 | L112-V142 HydrophobicContact CB-CG2 4.32Å; L112-V142 CarbonylContact O-C 3.52Å; L112-V142 VanDerWaalsContact O-CA 3.32Å; L112-V142 WeakPolarHBondContact O-CA 3.47Å; L114-V142 HydrophobicContact CD1-CG1 3.63Å; L114-V142 HydrophobicContact CG-CG1 4.26Å; L130-V142 HydrophobicContact CD1-CG2 3.68Å; L130-V142 HydrophobicContact CD2-CG2 3.91Å; L130-V142 HydrophobicContact CG-CG2 4.18Å; V140-V142 HydrophobicContact CG1-CG2 4.3Å; V142-V144 HydrophobicContact CG1-CG2 4.28Å; V142-I161 HydrophobicContact CG1-CD1 4.14Å; V142-V182 CarbonylContact O-C 3.51Å; V142-V182 VanDerWaalsContact O-CA 3.28Å; V142-V182 WeakPolarHBondContact O-CA 3.31Å; V142-I183 HydrophobicContact CB-CG2 3.9Å; V142-I183 PolarHBondContact N-O 2.94Å; V142-I183 PolarHBondContact O-N 2.95Å; V142-L185 HydrophobicContact CB-CD1 4.12Å; V142-L185 HydrophobicContact CG2-CD1 3.27Å |
| 143 | E | 94.1 | Very high | 84.4 | Confident | 23 Ų | 23 | 62 Ų | 62 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.4 | 176.9 | -58.1 | -172.8 | 145.9 | 0 | 0 | 108.7 | V111 L112 R113 L114 R141 V182 | V111-E143 HydrophobicContact CG1-CG 3.93Å; L112-E143 PolarHBondContact O-N 3.18Å; R113-E143 CarbonylContact C-O 3.59Å; R113-E143 WeakPolarHBondContact CA-O 3.36Å; R113-E143 HydrophobicContact CG-CB 4.43Å; R113-E143 IonicContact NE-OE2 2.78Å; R113-E143 PolarHBondContact NE-OE2 2.97Å; L114-E143 PolarHBondContact N-O 3.39Å; R141-E143 HydrophobicContact CG-CG 4.2Å; R141-E143 IonicContact CZ-OE1 2.71Å; R141-E143 IonicContact NE-OE1 3.53Å; R141-E143 PolarHBondContact NE-OE1 2.89Å; R141-E143 IonicContact NH2-OE1 3.88Å; R141-E143 PolarHBondContact NH2-OE1 3.36Å; E143-V182 HydrophobicContact CB-CG2 4.45Å; E143-V182 HydrophobicContact CG-CG1 4.24Å; E143-V182 HydrophobicContact CG-CG2 4.11Å |
| 144 | V | 92.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115 | 177.5 | -173 | 0 | 0 | 0 | 0 | 107.7 | L114 V142 A154 L157 I158 H180 A181 | L114-V144 HydrophobicContact CB-CG2 4.31Å; L114-V144 HydrophobicContact CD1-CG2 4.5Å; L114-V144 CarbonylContact O-C 3.48Å; L114-V144 WeakPolarHBondContact O-CA 3.41Å; V142-V144 HydrophobicContact CG1-CG2 4.28Å; V144-A154 HydrophobicContact CB-CB 4.19Å; V144-A154 HydrophobicContact CG1-CB 3.79Å; V144-L157 HydrophobicContact CG1-CB 4.32Å; V144-L157 HydrophobicContact CG1-CD1 4.1Å; V144-L157 HydrophobicContact CG1-CD2 4.1Å; V144-L157 HydrophobicContact CG1-CG 4.43Å; V144-L157 HydrophobicContact CG2-CD2 3.83Å; V144-I158 HydrophobicContact CG2-CD1 4.37Å; V144-I158 HydrophobicContact CG2-CG1 3.87Å; V144-H180 CarbonylContact O-C 3.56Å; V144-H180 WeakPolarHBondContact O-CA 3.32Å; V144-A181 PolarHBondContact N-O 2.98Å; V144-A181 PolarHBondContact O-N 3.44Å |
| 145 | S | 90.1 | Very high | 83.8 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.9 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | L114 H115 A116 | L114-S145 PolarHBondContact O-N 3.02Å; H115-S145 CarbonylContact C-O 3.57Å; H115-S145 WeakPolarHBondContact CA-O 3.48Å; H115-S145 PolarHBondContact CD2-O 3.49Å; A116-S145 PolarHBondContact N-O 3.22Å |
| 146 | G | 84.5 | Confident | 83.8 | Confident | 18 Ų | 18 | 68 Ų | 68 | 19% | 0.186 | 35% | 0.35 | C | S | . | . | trans | -116.5 | 153.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A116 H179 | A116-G146 VanDerWaalsContact CB-CA 3.48Å; G146-H179 WeakPolarHBondContact CA-O 3.37Å; G146-H179 PolarHBondContact N-O 3.28Å | ||
| 147 | S | 79 | Confident | 83.8 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | trans | -84 | 154.3 | 169.7 | -67.9 | 0 | 0 | 0 | 0 | 109.2 | V149 S150 H179 | S147-V149 PolarHBondContact O-N 3.43Å; S147-S150 PolarHBondContact N-OG 3.3Å; S147-S150 PolarHBondContact O-N 3.29Å; S147-S150 VanDerWaalsContact O-N 3.12Å; S147-S150 PolarHBondContact O-OG 3.03Å; S147-H179 PolarHBondContact O-ND1 3.01Å | ||
| 148 | K | 71.9 | Confident | 84 | Confident | 185 Ų | 185 | 61.3 Ų | 61.3 | 80% | 0.804 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.4 | 168.8 | -67.9 | -178.4 | 179.2 | 177.8 | 0 | 112.3 | S150 | K148-S150 VanDerWaalsContact C-N 3.33Š|
| 149 | V | 71.3 | Confident | 84 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 84% | 0.836 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -28.8 | -180 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | S147 | S147-V149 PolarHBondContact O-N 3.43Š|
| 150 | S | 63.4 | Low | 83.9 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | trans | -87.1 | 123.3 | 179 | 55 | 0 | 0 | 0 | 0 | 110.3 | S147 K148 F152 | S147-S150 PolarHBondContact N-OG 3.3Å; S147-S150 PolarHBondContact O-N 3.29Å; S147-S150 VanDerWaalsContact O-N 3.12Å; S147-S150 PolarHBondContact O-OG 3.03Å; K148-S150 VanDerWaalsContact C-N 3.33Å; S150-F152 PolarHBondContact O-N 3.47Å; S150-F152 VanDerWaalsContact O-N 3.09Å | ||
| 151 | E | 63.6 | Low | 83.8 | Confident | 183 Ų | 183 | 65.4 Ų | 65.4 | 86% | 0.855 | 33% | 0.334 | S | S | * | . | trans | -61.8 | -12.7 | 172 | -62.4 | 178.9 | 174.4 | 0 | 0 | 112.9 | N153 | E151-N153 PolarHBondContact O-N 2.88Å; E151-N153 VanDerWaalsContact O-N 3.14Å | ||
| 152 | F | 68.1 | Low | 83.5 | Confident | 124 Ų | 124 | 63.6 Ų | 63.6 | 54% | 0.544 | 33% | 0.33 | S | S | . | . | trans | -69.6 | 110.4 | -179.2 | -61.5 | -68.6 | 0 | 0 | 0 | 111.7 | A116 S150 A154 | A116-F152 HydrophobicContact CB-CB 4.02Å; S150-F152 PolarHBondContact O-N 3.47Å; S150-F152 VanDerWaalsContact O-N 3.09Å; F152-A154 PolarHBondContact O-N 2.7Å | ||
| 153 | N | 80.3 | Confident | 83.4 | Confident | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | trans | -69.3 | 120.6 | 174.5 | -68.7 | -36.1 | 0 | 0 | 0 | 110.6 | E151 Q155 H156 L157 T178 | E151-N153 PolarHBondContact O-N 2.88Å; E151-N153 VanDerWaalsContact O-N 3.14Å; N153-Q155 PolarHBondContact O-N 3.31Å; N153-H156 HydrophobicContact CB-CB 4.17Å; N153-H156 WeakPolarHBondContact O-CB 3.15Å; N153-H156 PolarHBondContact O-N 3.07Å; N153-L157 PolarHBondContact O-N 2.78Å; N153-T178 VanDerWaalsContact OD1-CG2 3.24Å; N153-T178 WeakPolarHBondContact OD1-CG2 3.4Å | ||
| 154 | A | 86 | Confident | 83.2 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.5 | -32.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V144 F152 H156 L157 I158 T178 A181 | V144-A154 HydrophobicContact CB-CB 4.19Å; V144-A154 HydrophobicContact CG1-CB 3.79Å; F152-A154 PolarHBondContact O-N 2.7Å; A154-H156 VanDerWaalsContact C-N 3.34Å; A154-H156 PolarHBondContact O-N 3.32Å; A154-L157 PolarHBondContact O-N 2.88Å; A154-I158 PolarHBondContact O-N 3.48Å; A154-I158 VanDerWaalsContact O-N 3.09Å; A154-T178 PolarHBondContact N-O 2.85Å; A154-A181 HydrophobicContact CB-CB 3.87Å |
| 155 | Q | 84.8 | Confident | 83 | Confident | 115 Ų | 115 | 72.6 Ų | 72.6 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 175.3 | -63.1 | -173.5 | 3.9 | 0 | 0 | 112.9 | N153 L157 I158 G159 | N153-Q155 PolarHBondContact O-N 3.31Å; Q155-L157 VanDerWaalsContact C-N 3.33Å; Q155-I158 PolarHBondContact O-N 2.85Å; Q155-G159 PolarHBondContact O-N 3.2Å |
| 156 | H | 87.8 | Confident | 82.8 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 56% | 0.56 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.9 | -40.2 | 178.4 | -176.3 | 71.7 | 0 | 0 | 0 | 110.9 | N153 A154 G159 K160 | N153-H156 HydrophobicContact CB-CB 4.17Å; N153-H156 WeakPolarHBondContact O-CB 3.15Å; N153-H156 PolarHBondContact O-N 3.07Å; A154-H156 VanDerWaalsContact C-N 3.34Å; A154-H156 PolarHBondContact O-N 3.32Å; H156-G159 WeakPolarHBondContact O-CA 3.4Å; H156-G159 PolarHBondContact O-N 2.93Å; H156-G159 VanDerWaalsContact O-N 3.12Å; H156-K160 WeakPolarHBondContact NE2-CE 3.19Å; H156-K160 PolarHBondContact O-N 2.96Å |
| 157 | L | 88.5 | Confident | 82.7 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 7% | 0.068 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 175.5 | -165.6 | 156.1 | 0 | 0 | 0 | 111.5 | L114 I118 L123 V144 N153 A154 Q155 G159 K160 I161 | L114-L157 HydrophobicContact CD1-CD2 4.09Å; I118-L157 HydrophobicContact CG2-CD1 3.59Å; L123-L157 HydrophobicContact CD1-CD2 4.37Å; V144-L157 HydrophobicContact CG1-CB 4.32Å; V144-L157 HydrophobicContact CG1-CD1 4.1Å; V144-L157 HydrophobicContact CG1-CD2 4.1Å; V144-L157 HydrophobicContact CG1-CG 4.43Å; V144-L157 HydrophobicContact CG2-CD2 3.83Å; N153-L157 PolarHBondContact O-N 2.78Å; A154-L157 PolarHBondContact O-N 2.88Å; Q155-L157 VanDerWaalsContact C-N 3.33Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3.17Å; L157-K160 WeakPolarHBondContact O-CB 2.91Å; L157-K160 PolarHBondContact O-N 3.36Å; L157-I161 HydrophobicContact CD2-CD1 3.48Å; L157-I161 VanDerWaalsContact CD2-CD1 3.48Å; L157-I161 HydrophobicContact CD2-CG1 4.09Å; L157-I161 WeakPolarHBondContact O-CG1 3.04Å; L157-I161 PolarHBondContact O-N 3.47Å |
| 158 | I | 90.7 | Very high | 83 | Confident | 8 Ų | 8 | 81.1 Ų | 81.1 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 172.2 | -69 | -173.5 | 0 | 0 | 0 | 111.2 | V144 A154 Q155 K160 I161 K162 A181 I183 | V144-I158 HydrophobicContact CG2-CD1 4.37Å; V144-I158 HydrophobicContact CG2-CG1 3.87Å; A154-I158 PolarHBondContact O-N 3.48Å; A154-I158 VanDerWaalsContact O-N 3.09Å; Q155-I158 PolarHBondContact O-N 2.85Å; I158-K160 VanDerWaalsContact C-N 3.35Å; I158-K160 PolarHBondContact O-N 3.29Å; I158-I161 PolarHBondContact O-N 3.25Å; I158-K162 HydrophobicContact CG2-CD 4.28Å; I158-K162 HydrophobicContact CG2-CG 4.36Å; I158-K162 WeakPolarHBondContact O-CG 3.48Å; I158-K162 PolarHBondContact O-N 3.34Å; I158-A181 HydrophobicContact CD1-CB 3.33Å; I158-A181 HydrophobicContact CG1-CB 4.29Å; I158-I183 HydrophobicContact CD1-CB 4.37Å; I158-I183 HydrophobicContact CD1-CG2 4.28Å; I158-I183 HydrophobicContact CG2-CD1 4.07Å; I158-I183 HydrophobicContact CG2-CG2 4.38Å |
| 159 | G | 90.5 | Very high | 83.8 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q155 H156 L157 I161 K162 T163 | Q155-G159 PolarHBondContact O-N 3.2Å; H156-G159 WeakPolarHBondContact O-CA 3.4Å; H156-G159 PolarHBondContact O-N 2.93Å; H156-G159 VanDerWaalsContact O-N 3.12Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3.17Å; G159-I161 PolarHBondContact O-N 2.67Å; G159-K162 PolarHBondContact O-N 2.87Å; G159-T163 PolarHBondContact O-N 3.04Å; G159-T163 PolarHBondContact O-OG1 3.07Å; G159-T163 VanDerWaalsContact O-OG1 3.11Å |
| 160 | K | 89.8 | Confident | 84.7 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 174 | -69.3 | -171.4 | 177.5 | -170.3 | 0 | 111.7 | H156 L157 I158 K162 T163 E164 | H156-K160 WeakPolarHBondContact NE2-CE 3.19Å; H156-K160 PolarHBondContact O-N 2.96Å; L157-K160 WeakPolarHBondContact O-CB 2.91Å; L157-K160 PolarHBondContact O-N 3.36Å; I158-K160 VanDerWaalsContact C-N 3.35Å; I158-K160 PolarHBondContact O-N 3.29Å; K160-K162 VanDerWaalsContact C-N 3.3Å; K160-K162 PolarHBondContact O-N 3.25Å; K160-T163 PolarHBondContact O-N 3.48Å; K160-T163 VanDerWaalsContact O-N 3.15Å; K160-E164 VanDerWaalsContact O-CG 3.32Å; K160-E164 WeakPolarHBondContact O-CG 3.35Å; K160-E164 PolarHBondContact O-N 3.1Å |
| 161 | I | 91.8 | Very high | 86 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 178.4 | -67.3 | 172.8 | 0 | 0 | 0 | 111.6 | L114 L123 V142 L157 I158 G159 E164 L165 | L114-I161 HydrophobicContact CD1-CD1 3.53Å; L123-I161 HydrophobicContact CD1-CD1 4.44Å; L123-I161 HydrophobicContact CD1-CG1 4.14Å; V142-I161 HydrophobicContact CG1-CD1 4.14Å; L157-I161 HydrophobicContact CD2-CD1 3.48Å; L157-I161 VanDerWaalsContact CD2-CD1 3.48Å; L157-I161 HydrophobicContact CD2-CG1 4.09Å; L157-I161 WeakPolarHBondContact O-CG1 3.04Å; L157-I161 PolarHBondContact O-N 3.47Å; I158-I161 PolarHBondContact O-N 3.25Å; G159-I161 PolarHBondContact O-N 2.67Å; I161-E164 PolarHBondContact O-N 3.09Å; I161-L165 HydrophobicContact CG2-CD1 3.75Å; I161-L165 HydrophobicContact CG2-CG 4.41Å; I161-L165 WeakPolarHBondContact O-CB 3.44Å; I161-L165 PolarHBondContact O-N 3.25Å |
| 162 | K | 90.3 | Very high | 87.2 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 176 | -75 | 178 | 178.2 | -175.6 | 0 | 111 | I158 G159 K160 E164 L165 N166 F171 I183 | I158-K162 HydrophobicContact CG2-CD 4.28Å; I158-K162 HydrophobicContact CG2-CG 4.36Å; I158-K162 WeakPolarHBondContact O-CG 3.48Å; I158-K162 PolarHBondContact O-N 3.34Å; G159-K162 PolarHBondContact O-N 2.87Å; K160-K162 VanDerWaalsContact C-N 3.3Å; K160-K162 PolarHBondContact O-N 3.25Å; K162-E164 PolarHBondContact O-N 3.05Å; K162-L165 PolarHBondContact O-N 3.17Å; K162-N166 PolarHBondContact O-N 3.11Å; K162-N166 PolarHBondContact O-OD1 3.09Å; K162-F171 HydrophobicContact CB-CE1 4.31Å; K162-F171 HydrophobicContact CB-CZ 4.31Å; K162-F171 HydrophobicContact CG-CD1 3.99Å; K162-F171 HydrophobicContact CG-CE1 3.96Å; K162-F171 HydrophobicContact CG-CG 4.42Å; K162-F171 HydrophobicContact CG-CZ 4.37Å; K162-F171 WeakPolarHBondContact O-CZ 3.39Å; K162-I183 HydrophobicContact CD-CD1 4.43Å; K162-I183 HydrophobicContact CG-CD1 4.23Å |
| 163 | T | 91.8 | Very high | 88.2 | Confident | 92 Ų | 92 | 64.7 Ų | 64.7 | 56% | 0.564 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.3 | -47 | 178.1 | -57.3 | 0 | 0 | 0 | 0 | 112 | G159 K160 L165 N166 | G159-T163 PolarHBondContact O-N 3.04Å; G159-T163 PolarHBondContact O-OG1 3.07Å; G159-T163 VanDerWaalsContact O-OG1 3.11Å; K160-T163 PolarHBondContact O-N 3.48Å; K160-T163 VanDerWaalsContact O-N 3.15Å; T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 2.9Å; T163-N166 WeakPolarHBondContact CA-ND2 3.29Å; T163-N166 WeakPolarHBondContact O-CB 3.41Å; T163-N166 PolarHBondContact O-N 3.32Å; T163-N166 PolarHBondContact O-ND2 3.44Å |
| 164 | E | 89.6 | Confident | 88.4 | Confident | 119 Ų | 119 | 63 Ų | 63 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.8 | -30.7 | -179.5 | -68.8 | -63.6 | 140 | 0 | 0 | 113.5 | I127 K160 I161 K162 | I127-E164 HydrophobicContact CD1-CB 3.81Å; I127-E164 HydrophobicContact CD1-CG 3.81Å; K160-E164 VanDerWaalsContact O-CG 3.32Å; K160-E164 WeakPolarHBondContact O-CG 3.35Å; K160-E164 PolarHBondContact O-N 3.1Å; I161-E164 PolarHBondContact O-N 3.09Å; K162-E164 PolarHBondContact O-N 3.05Å |
| 165 | L | 88.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 6.1 | -178.8 | -69.8 | 179.6 | 0 | 0 | 0 | 114 | I127 L130 I161 K162 T163 G167 K168 F171 L185 | I127-L165 HydrophobicContact CG2-CD2 3.96Å; I127-L165 HydrophobicContact CG2-CG 4.48Å; L130-L165 HydrophobicContact CD1-CD1 4.22Å; I161-L165 HydrophobicContact CG2-CD1 3.75Å; I161-L165 HydrophobicContact CG2-CG 4.41Å; I161-L165 WeakPolarHBondContact O-CB 3.44Å; I161-L165 PolarHBondContact O-N 3.25Å; K162-L165 PolarHBondContact O-N 3.17Å; T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 2.9Å; L165-G167 PolarHBondContact O-N 2.92Å; L165-G167 VanDerWaalsContact O-N 3.14Å; L165-K168 PolarHBondContact O-N 3.14Å; L165-F171 HydrophobicContact CB-CE1 3.9Å; L165-F171 HydrophobicContact CB-CZ 3.55Å; L165-F171 HydrophobicContact CD1-CE1 4.43Å; L165-L185 HydrophobicContact CD1-CD2 3.58Å |
| 166 | N | 87 | Confident | 88.2 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 120.9 | 176.3 | -83.4 | -33.3 | 0 | 0 | 0 | 110.6 | K162 T163 | K162-N166 PolarHBondContact O-N 3.11Å; K162-N166 PolarHBondContact O-OD1 3.09Å; T163-N166 WeakPolarHBondContact CA-ND2 3.29Å; T163-N166 WeakPolarHBondContact O-CB 3.41Å; T163-N166 PolarHBondContact O-N 3.32Å; T163-N166 PolarHBondContact O-ND2 3.44Å |
| 167 | G | 83 | Confident | 88 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 83% | 0.825 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -12.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L165 | L165-G167 PolarHBondContact O-N 2.92Å; L165-G167 VanDerWaalsContact O-N 3.14Å |
| 168 | K | 84.8 | Confident | 87.6 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -22.4 | -180 | -59.4 | -169.6 | -177.8 | -170 | 0 | 114.1 | L131 L165 | L131-K168 HydrophobicContact CD1-CB 4.23Å; L131-K168 HydrophobicContact CD1-CD 3.88Å; L131-K168 HydrophobicContact CD2-CD 4.2Å; L165-K168 PolarHBondContact O-N 3.14Å |
| 169 | A | 87.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L134 L185 | L134-A169 HydrophobicContact CD1-CB 3.7Å; A169-L185 HydrophobicContact CB-CD2 4.13Å |
| 170 | K | 90.2 | Very high | 87.2 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 47% | 0.465 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.5 | 166.3 | -66.1 | -177.5 | -178 | 175.1 | 0 | 108.6 | L185 T186 H188 | K170-L185 WeakPolarHBondContact O-CA 3.39Å; K170-T186 PolarHBondContact N-O 3.13Å; K170-T186 PolarHBondContact O-N 3.16Å; K170-H188 WeakPolarHBondContact CE-CD2 3.21Å |
| 171 | F | 91.4 | Very high | 87.3 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 27% | 0.272 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.5 | 178.3 | -57 | -83.7 | 0 | 0 | 0 | 109.8 | K162 L165 I183 L185 | K162-F171 HydrophobicContact CB-CE1 4.31Å; K162-F171 HydrophobicContact CB-CZ 4.31Å; K162-F171 HydrophobicContact CG-CD1 3.99Å; K162-F171 HydrophobicContact CG-CE1 3.96Å; K162-F171 HydrophobicContact CG-CG 4.42Å; K162-F171 HydrophobicContact CG-CZ 4.37Å; K162-F171 WeakPolarHBondContact O-CZ 3.39Å; L165-F171 HydrophobicContact CB-CE1 3.9Å; L165-F171 HydrophobicContact CB-CZ 3.55Å; L165-F171 HydrophobicContact CD1-CE1 4.43Å; F171-I183 HydrophobicContact CB-CD1 4.16Å; F171-I183 HydrophobicContact CD1-CD1 3.91Å; F171-I183 HydrophobicContact CG-CD1 4.45Å; F171-L185 HydrophobicContact CD1-CD2 3.5Å; F171-L185 VanDerWaalsContact CD1-CD2 3.5Å; F171-L185 HydrophobicContact CD1-CG 4.23Å; F171-L185 HydrophobicContact CE1-CD2 3.43Å; F171-L185 VanDerWaalsContact CE1-CD2 3.43Å; F171-L185 HydrophobicContact CZ-CD2 4.49Å |
| 172 | G | 88.5 | Confident | 87.4 | Confident | 23 Ų | 23 | 68.9 Ų | 68.9 | 24% | 0.237 | 40% | 0.398 | C | S | . | . | trans | -76.5 | -178.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A174 V184 | G172-A174 PolarHBondContact O-N 3.01Å; G172-V184 WeakPolarHBondContact CA-O 3.38Å; G172-V184 PolarHBondContact N-O 3.27Å | ||
| 173 | P | 88.5 | Confident | 87.5 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 66% | 0.662 | 38% | 0.382 | S | S | * | . | trans | -59.8 | 127.1 | 175.6 | 25.8 | -33.6 | 0 | 0 | 0 | 110 | ||||
| 174 | A | 84.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | trans | -79.9 | 121.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | G172 I183 | G172-A174 PolarHBondContact O-N 3.01Å; A174-I183 HydrophobicContact CB-CD1 4.27Å; A174-I183 HydrophobicContact CB-CG1 4.45Å | ||
| 175 | Q | 87 | Confident | 87.8 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.7 | 177.5 | -62.7 | -177 | 7.2 | 0 | 0 | 108.4 | A181 V182 | Q175-A181 CarbonylContact O-C 3.42Å; Q175-V182 PolarHBondContact N-O 2.96Å; Q175-V182 PolarHBondContact O-N 2.91Å; Q175-V182 VanDerWaalsContact O-O 3.14Å |
| 176 | G | 80.9 | Confident | 87.9 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 154 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H180 | G176-H180 CarbonylContact C-O 3.6Å; G176-H180 WeakPolarHBondContact CA-O 3.26Å |
| 177 | T | 83.1 | Confident | 87.9 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | trans | -89.4 | -178.7 | 164.4 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | H179 H180 | T177-H179 VanDerWaalsContact C-N 3.27Å; T177-H179 PolarHBondContact O-N 2.84Å; T177-H180 PolarHBondContact N-O 3.17Å; T177-H180 PolarHBondContact OG1-N 2.91Å; T177-H180 PolarHBondContact OG1-O 2.93Å | ||
| 178 | T | 80.9 | Confident | 87.7 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -55.6 | -41.7 | 175.1 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | N153 A154 | N153-T178 VanDerWaalsContact OD1-CG2 3.24Å; N153-T178 WeakPolarHBondContact OD1-CG2 3.4Å; A154-T178 PolarHBondContact N-O 2.85Å |
| 179 | H | 83.9 | Confident | 86.9 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 27% | 0.269 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -102.8 | -24.2 | -173.3 | -54.1 | -65.7 | 0 | 0 | 0 | 113.6 | G146 S147 T177 | G146-H179 WeakPolarHBondContact CA-O 3.37Å; G146-H179 PolarHBondContact N-O 3.28Å; S147-H179 PolarHBondContact O-ND1 3.01Å; T177-H179 VanDerWaalsContact C-N 3.27Å; T177-H179 PolarHBondContact O-N 2.84Å |
| 180 | H | 88.4 | Confident | 85.3 | Confident | 81 Ų | 81 | 67 Ų | 67 | 38% | 0.375 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.3 | 179.2 | 179.1 | -93.7 | 0 | 0 | 0 | 110.4 | V144 G176 T177 V182 | V144-H180 CarbonylContact O-C 3.56Å; V144-H180 WeakPolarHBondContact O-CA 3.32Å; G176-H180 CarbonylContact C-O 3.6Å; G176-H180 WeakPolarHBondContact CA-O 3.26Å; T177-H180 PolarHBondContact N-O 3.17Å; T177-H180 PolarHBondContact OG1-N 2.91Å; T177-H180 PolarHBondContact OG1-O 2.93Å; H180-V182 WeakPolarHBondContact CE1-CG2 3.46Å |
| 181 | A | 91.4 | Very high | 83.3 | Confident | 2 Ų | 2 | 71 Ų | 71 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 145.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V144 A154 I158 Q175 | V144-A181 PolarHBondContact N-O 2.98Å; V144-A181 PolarHBondContact O-N 3.44Å; A154-A181 HydrophobicContact CB-CB 3.87Å; I158-A181 HydrophobicContact CD1-CB 3.33Å; I158-A181 HydrophobicContact CG1-CB 4.29Å; Q175-A181 CarbonylContact O-C 3.42Å |
| 182 | V | 93.1 | Very high | 82.9 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.4 | -173.9 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | R141 V142 E143 Q175 H180 | R141-V182 HydrophobicContact CG-CG1 3.73Å; V142-V182 CarbonylContact O-C 3.51Å; V142-V182 VanDerWaalsContact O-CA 3.28Å; V142-V182 WeakPolarHBondContact O-CA 3.31Å; E143-V182 HydrophobicContact CB-CG2 4.45Å; E143-V182 HydrophobicContact CG-CG1 4.24Å; E143-V182 HydrophobicContact CG-CG2 4.11Å; Q175-V182 PolarHBondContact N-O 2.96Å; Q175-V182 PolarHBondContact O-N 2.91Å; Q175-V182 VanDerWaalsContact O-O 3.14Å; H180-V182 WeakPolarHBondContact CE1-CG2 3.46Å |
| 183 | I | 93.5 | Very high | 82.6 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.4 | 172.5 | -171.2 | 168.4 | 0 | 0 | 0 | 109.7 | V142 I158 K162 F171 A174 L185 | V142-I183 HydrophobicContact CB-CG2 3.9Å; V142-I183 PolarHBondContact N-O 2.94Å; V142-I183 PolarHBondContact O-N 2.95Å; I158-I183 HydrophobicContact CD1-CB 4.37Å; I158-I183 HydrophobicContact CD1-CG2 4.28Å; I158-I183 HydrophobicContact CG2-CD1 4.07Å; I158-I183 HydrophobicContact CG2-CG2 4.38Å; K162-I183 HydrophobicContact CD-CD1 4.43Å; K162-I183 HydrophobicContact CG-CD1 4.23Å; F171-I183 HydrophobicContact CB-CD1 4.16Å; F171-I183 HydrophobicContact CD1-CD1 3.91Å; F171-I183 HydrophobicContact CG-CD1 4.45Å; A174-I183 HydrophobicContact CB-CD1 4.27Å; A174-I183 HydrophobicContact CB-CG1 4.45Å; I183-L185 HydrophobicContact CG2-CD1 4.2Å |
| 184 | V | 93.7 | Very high | 82.3 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | V139 R141 G172 | V139-V184 HydrophobicContact CG1-CG1 3.66Å; R141-V184 HydrophobicContact CB-CG2 4.43Å; R141-V184 HydrophobicContact CG-CG2 4.39Å; G172-V184 WeakPolarHBondContact CA-O 3.38Å; G172-V184 PolarHBondContact N-O 3.27Å |
| 185 | L | 92.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.3 | 176.1 | -62.4 | 112.9 | 0 | 0 | 0 | 109.5 | L130 L134 V140 V142 L165 A169 K170 F171 I183 | L130-L185 HydrophobicContact CD2-CD1 3.86Å; L134-L185 HydrophobicContact CD2-CB 4.19Å; V140-L185 PolarHBondContact N-O 2.73Å; V140-L185 PolarHBondContact O-N 2.85Å; V142-L185 HydrophobicContact CB-CD1 4.12Å; V142-L185 HydrophobicContact CG2-CD1 3.27Å; L165-L185 HydrophobicContact CD1-CD2 3.58Å; A169-L185 HydrophobicContact CB-CD2 4.13Å; K170-L185 WeakPolarHBondContact O-CA 3.39Å; F171-L185 HydrophobicContact CD1-CD2 3.5Å; F171-L185 VanDerWaalsContact CD1-CD2 3.5Å; F171-L185 HydrophobicContact CD1-CG 4.23Å; F171-L185 HydrophobicContact CE1-CD2 3.43Å; F171-L185 VanDerWaalsContact CE1-CD2 3.43Å; F171-L185 HydrophobicContact CZ-CD2 4.49Å; I183-L185 HydrophobicContact CG2-CD1 4.2Å |
| 186 | T | 90.5 | Very high | 81.8 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 36% | 0.356 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.3 | 176.2 | -4.6 | 0 | 0 | 0 | 0 | 108.1 | V139 K170 | V139-T186 HydrophobicContact CG1-CG2 4.33Å; V139-T186 HydrophobicContact CG2-CG2 3.87Å; K170-T186 PolarHBondContact N-O 3.13Å; K170-T186 PolarHBondContact O-N 3.16Å |
| 187 | P | 87.1 | Confident | 81.9 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 143.7 | 172.5 | 25.6 | -32.9 | 0 | 0 | 0 | 109.4 | L134 E189 | L134-P187 HydrophobicContact CB-CB 4.45Å; L134-P187 HydrophobicContact CD2-CB 4.35Å; P187-E189 VanDerWaalsContact C-N 3.29Å; P187-E189 PolarHBondContact O-N 2.94Å |
| 188 | H | 79.6 | Confident | 81.8 | Confident | 109 Ų | 109 | 70.1 Ų | 70.1 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | trans | -71.9 | 91.6 | 170.2 | -175.8 | -74.7 | 0 | 0 | 0 | 107.5 | K170 L190 | K170-H188 WeakPolarHBondContact CE-CD2 3.21Å; H188-L190 PolarHBondContact O-N 3.35Å; H188-L190 VanDerWaalsContact O-N 3.14Å | ||
| 189 | E | 67.4 | Low | 81.9 | Confident | 150 Ų | 150 | 70.2 Ų | 70.2 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | trans | -55.1 | 121.5 | 171.2 | -64.3 | -169.5 | 111.6 | 0 | 0 | 108.4 | P187 S191 | P187-E189 VanDerWaalsContact C-N 3.29Å; P187-E189 PolarHBondContact O-N 2.94Å; E189-S191 PolarHBondContact O-N 2.98Å; E189-S191 VanDerWaalsContact O-N 3.15Å | ||
| 190 | L | 55.2 | Low | 81.7 | Confident | 165 Ų | 165 | 71.3 Ų | 71.3 | 86% | 0.864 | 40% | 0.397 | S | S | * | . | trans | -63.9 | 106.8 | 154.7 | -67.8 | 164.8 | 0 | 0 | 0 | 104.1 | H188 | H188-L190 PolarHBondContact O-N 3.35Å; H188-L190 VanDerWaalsContact O-N 3.14Å | ||
| 191 | S | 47.7 | Very low | 81.1 | Confident | 191 Ų | 191 | 70.4 Ų | 70.4 | 100% | 1.336 | 40% | 0.399 | S | S | * | . | trans | -53.4 | 0 | 171.6 | -71 | 0 | 0 | 0 | 0 | 111.7 | E189 | E189-S191 PolarHBondContact O-N 2.98Å; E189-S191 VanDerWaalsContact O-N 3.15Å |
Retrieved 191 of 191 residues in 148.6 ms
(Link to these results)