| 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 | 43.6 | Very low | 51.1 | Low | 238 Ų | 238 | 145.6 Ų | 145.6 | 100% | 1.172 | 83% | 0.832 | S | S | * | * | 0 | 111.6 | 0 | -86.8 | 158.8 | 158.1 | 0 | 0 | 105.4 | |||||
| 2 | A | 46.1 | Very low | 51.3 | Low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -85.9 | 116.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 106 | V4 | A2-V4 PolarHBondContact O-N 3.05Š| ||
| 3 | D | 50.1 | Low | 52.8 | Low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 83% | 0.829 | S | S | * | * | trans | -66.2 | 115.7 | 173 | -74 | -40.4 | 0 | 0 | 0 | 108.2 | L5 | D3-L5 PolarHBondContact O-N 3.18Š| ||
| 4 | V | 51 | Low | 54.7 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 74% | 0.739 | 83% | 0.829 | S | S | * | * | trans | -73.5 | 108.5 | 167.7 | 172.7 | 0 | 0 | 0 | 0 | 105.5 | A2 D6 | A2-V4 PolarHBondContact O-N 3.05Å; V4-D6 PolarHBondContact O-N 2.89Å; V4-D6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | L | 53.8 | Low | 56.4 | Low | 156 Ų | 156 | 148.1 Ų | 148.1 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | trans | -62.4 | 112.4 | 165.7 | -76.5 | 163.5 | 0 | 0 | 0 | 107.6 | D3 L7 | D3-L5 PolarHBondContact O-N 3.18Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.77Å | ||
| 6 | D | 50.9 | Low | 58.1 | Low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 83% | 0.83 | S | S | * | * | trans | -63 | 96.2 | 165.8 | -78.6 | -38.1 | 0 | 0 | 0 | 108 | V4 H8 | V4-D6 PolarHBondContact O-N 2.89Å; V4-D6 VanDerWaalsContact O-N 3.13Å; D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 2.57Å | ||
| 7 | L | 55.8 | Low | 59.6 | Low | 171 Ų | 171 | 146.8 Ų | 146.8 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -57.3 | 96 | 162.4 | -92.6 | 145.6 | 0 | 0 | 0 | 106.8 | L5 E9 | L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.77Å; L7-E9 PolarHBondContact O-N 3.09Å | ||
| 8 | H | 52.8 | Low | 61.1 | Low | 175 Ų | 175 | 143.2 Ų | 143.2 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -49.5 | 129.1 | 166.7 | -85 | 68.3 | 0 | 0 | 0 | 107.5 | D6 A10 | D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 2.57Å; H8-A10 PolarHBondContact O-N 3.01Å | ||
| 9 | E | 51 | Low | 62.4 | Low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -38.3 | 123.4 | 178 | -65.8 | 174.7 | 149.6 | 0 | 0 | 109.5 | L7 G11 | L7-E9 PolarHBondContact O-N 3.09Å; E9-G11 PolarHBondContact O-N 2.63Å | ||
| 10 | A | 56 | Low | 63.6 | Low | 103 Ų | 103 | 142.8 Ų | 142.8 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -61.5 | 84.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | H8 G12 | H8-A10 PolarHBondContact O-N 3.01Å; A10-G12 PolarHBondContact O-N 2.71Å | ||
| 11 | G | 51.4 | Low | 64.6 | Low | 59 Ų | 59 | 136.7 Ų | 136.7 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -51.8 | 113.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 105 | E9 E13 | E9-G11 PolarHBondContact O-N 2.63Å; G11-E13 PolarHBondContact O-N 2.72Å | ||
| 12 | G | 52.9 | Low | 66.8 | Low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -66.9 | 69.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A10 D14 | A10-G12 PolarHBondContact O-N 2.71Å; G12-D14 PolarHBondContact O-N 2.95Å; G12-D14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | E | 70.8 | Confident | 68.8 | Low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | -66.2 | 105.4 | 162 | -66.8 | -171 | 163.3 | 0 | 0 | 105.6 | G11 F15 | G11-E13 PolarHBondContact O-N 2.72Å; E13-F15 PolarHBondContact O-N 2.67Å | ||
| 14 | D | 79.7 | Confident | 70.5 | Confident | 154 Ų | 154 | 126.8 Ų | 126.8 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 138.9 | 167.4 | -72.2 | -46.5 | 0 | 0 | 0 | 108.4 | G12 A16 | G12-D14 PolarHBondContact O-N 2.95Å; G12-D14 VanDerWaalsContact O-N 3.12Å; D14-A16 PolarHBondContact O-N 2.76Å |
| 15 | F | 80.8 | Confident | 72.2 | Confident | 207 Ų | 207 | 124.7 Ų | 124.7 | 91% | 0.908 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 128.3 | 174.6 | -67.3 | -71.6 | 0 | 0 | 0 | 109.4 | E13 M17 | E13-F15 PolarHBondContact O-N 2.67Å; F15-M17 PolarHBondContact O-N 3.2Å |
| 16 | A | 83 | Confident | 73.8 | Confident | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 135.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D14 D18 | D14-A16 PolarHBondContact O-N 2.76Å; A16-D18 PolarHBondContact O-N 2.72Å |
| 17 | M | 84.2 | Confident | 75.6 | Confident | 181 Ų | 181 | 120.8 Ų | 120.8 | 89% | 0.892 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 122.6 | 175 | -69.9 | -171.3 | -67 | 0 | 0 | 109.7 | F15 | F15-M17 PolarHBondContact O-N 3.2Š|
| 18 | D | 85.6 | Confident | 77.2 | Confident | 83 Ų | 83 | 118.6 Ų | 118.6 | 44% | 0.444 | 65% | 0.652 | S | S | . | * | trans | -121.8 | 84.1 | 177.6 | -179.4 | 12.2 | 0 | 0 | 0 | 109.7 | A16 D20 G21 D22 | A16-D18 PolarHBondContact O-N 2.72Å; D18-D20 VanDerWaalsContact C-N 3.26Å; D18-D20 PolarHBondContact O-N 2.65Å; D18-D20 PolarHBondContact OD1-N 3.38Å; D18-G21 VanDerWaalsContact CG-N 3.33Å; D18-G21 PolarHBondContact O-N 3.38Å; D18-G21 PolarHBondContact OD1-N 3.18Å; D18-G21 WeakPolarHBondContact OD2-CA 3.35Å; D18-G21 PolarHBondContact OD2-N 3.31Å; D18-D22 PolarHBondContact O-N 3.27Å | ||
| 19 | E | 87.2 | Confident | 78.8 | Confident | 153 Ų | 153 | 116.7 Ų | 116.7 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.3 | -37.7 | -179.1 | -64.7 | -177.6 | 172.9 | 0 | 0 | 112 | D22 E23 | E19-D22 PolarHBondContact O-N 3.44Å; E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.05Å |
| 20 | D | 85.9 | Confident | 80.6 | Confident | 125 Ų | 125 | 114.2 Ų | 114.2 | 67% | 0.668 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.1 | -44.3 | 178.7 | -79.8 | -36.8 | 0 | 0 | 0 | 110.9 | D18 S24 | D18-D20 VanDerWaalsContact C-N 3.26Å; D18-D20 PolarHBondContact O-N 2.65Å; D18-D20 PolarHBondContact OD1-N 3.38Å; D20-S24 WeakPolarHBondContact O-CB 3.23Å; D20-S24 PolarHBondContact O-N 2.97Å |
| 21 | G | 85 | Confident | 82.2 | Confident | 14 Ų | 14 | 117.1 Ų | 117.1 | 14% | 0.144 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -59.1 | -49.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D18 E23 S24 I25 | D18-G21 VanDerWaalsContact CG-N 3.33Å; D18-G21 PolarHBondContact O-N 3.38Å; D18-G21 PolarHBondContact OD1-N 3.18Å; D18-G21 WeakPolarHBondContact OD2-CA 3.35Å; D18-G21 PolarHBondContact OD2-N 3.31Å; G21-E23 PolarHBondContact O-N 3.41Å; G21-S24 WeakPolarHBondContact O-CB 3Å; G21-S24 PolarHBondContact O-N 2.92Å; G21-S24 VanDerWaalsContact O-N 3.14Å; G21-S24 PolarHBondContact O-OG 3.35Å; G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 2.84Å |
| 22 | D | 88.4 | Confident | 83.8 | Confident | 111 Ų | 111 | 116.6 Ų | 116.6 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -45 | 178.3 | -78.8 | -22.9 | 0 | 0 | 0 | 112.3 | D18 E19 S24 I25 H26 | D18-D22 PolarHBondContact O-N 3.27Å; E19-D22 PolarHBondContact O-N 3.44Å; D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 PolarHBondContact O-N 3.24Å; D22-I25 PolarHBondContact O-N 3.19Å; D22-H26 WeakPolarHBondContact O-CB 3.1Å; D22-H26 PolarHBondContact O-N 3.15Å |
| 23 | E | 88.4 | Confident | 85.4 | Confident | 106 Ų | 106 | 123 Ų | 123 | 50% | 0.495 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.2 | -39.8 | 173.9 | -82.7 | -162.2 | -172.4 | 0 | 0 | 112.4 | E19 G21 H26 K27 | E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.05Å; G21-E23 PolarHBondContact O-N 3.41Å; E23-H26 PolarHBondContact O-N 3.43Å; E23-K27 WeakPolarHBondContact O-CG 3.38Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE2-NZ 3.78Å; E23-K27 PolarHBondContact OE2-NZ 3.4Å |
| 24 | S | 85.9 | Confident | 85.9 | Confident | 67 Ų | 67 | 122.3 Ų | 122.3 | 47% | 0.469 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.8 | -43.5 | -179.8 | 83.2 | 0 | 0 | 0 | 0 | 111.3 | D20 G21 D22 H26 K27 L28 | D20-S24 WeakPolarHBondContact O-CB 3.23Å; D20-S24 PolarHBondContact O-N 2.97Å; G21-S24 WeakPolarHBondContact O-CB 3Å; G21-S24 PolarHBondContact O-N 2.92Å; G21-S24 VanDerWaalsContact O-N 3.14Å; G21-S24 PolarHBondContact O-OG 3.35Å; D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 PolarHBondContact O-N 3.24Å; S24-H26 VanDerWaalsContact C-N 3.35Å; S24-K27 PolarHBondContact O-N 2.96Å; S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.14Å |
| 25 | I | 87.4 | Confident | 85.8 | Confident | 79 Ų | 79 | 121.7 Ų | 121.7 | 41% | 0.405 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65 | -40.9 | 175.8 | -66.5 | 172.4 | 0 | 0 | 0 | 110 | G21 D22 L28 K29 | G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 2.84Å; D22-I25 PolarHBondContact O-N 3.19Å; I25-L28 PolarHBondContact O-N 2.99Å; I25-K29 HydrophobicContact CG2-CD 4Å; I25-K29 HydrophobicContact CG2-CG 4.44Å; I25-K29 WeakPolarHBondContact O-CB 3.33Å; I25-K29 WeakPolarHBondContact O-CG 3.29Å; I25-K29 PolarHBondContact O-N 3.36Å |
| 26 | H | 86.9 | Confident | 85.8 | Confident | 110 Ų | 110 | 115.7 Ų | 115.7 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.5 | -50.9 | 175.7 | -171.4 | -87.1 | 0 | 0 | 0 | 111.4 | D22 E23 S24 L28 K29 E30 | D22-H26 WeakPolarHBondContact O-CB 3.1Å; D22-H26 PolarHBondContact O-N 3.15Å; E23-H26 PolarHBondContact O-N 3.43Å; S24-H26 VanDerWaalsContact C-N 3.35Å; H26-L28 VanDerWaalsContact C-N 3.28Å; H26-L28 PolarHBondContact O-N 2.72Å; H26-K29 PolarHBondContact O-N 3.34Å; H26-E30 VanDerWaalsContact CE1-CD 3.42Å; H26-E30 IonicContact CE1-OE1 3.83Å; H26-E30 PolarHBondContact CE1-OE1 3.13Å; H26-E30 IonicContact ND1-OE1 2.73Å; H26-E30 IonicContact ND1-OE2 2.73Å; H26-E30 PolarHBondContact O-N 3.43Å |
| 27 | K | 89.5 | Confident | 85.7 | Confident | 102 Ų | 102 | 113.3 Ų | 113.3 | 44% | 0.443 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -36.3 | 176.7 | -71.2 | 163.9 | -170.9 | 150 | 0 | 112.2 | E23 S24 K31 | E23-K27 WeakPolarHBondContact O-CG 3.38Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE2-NZ 3.78Å; E23-K27 PolarHBondContact OE2-NZ 3.4Å; S24-K27 PolarHBondContact O-N 2.96Å; K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 3.4Å |
| 28 | L | 88.4 | Confident | 85.6 | Confident | 125 Ų | 125 | 117 Ų | 117 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.8 | -46.5 | 175.9 | -175.2 | 67.8 | 0 | 0 | 0 | 111.2 | S24 I25 H26 E30 K31 A32 | S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.14Å; I25-L28 PolarHBondContact O-N 2.99Å; H26-L28 VanDerWaalsContact C-N 3.28Å; H26-L28 PolarHBondContact O-N 2.72Å; L28-E30 PolarHBondContact O-N 3.47Å; L28-K31 PolarHBondContact O-N 2.99Å; L28-A32 PolarHBondContact O-N 2.95Å |
| 29 | K | 87.3 | Confident | 85.4 | Confident | 134 Ų | 134 | 116.9 Ų | 116.9 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.9 | -38.5 | 177.3 | -73.9 | 173 | 179.9 | 169.9 | 0 | 112.3 | I25 H26 K31 A32 | I25-K29 HydrophobicContact CG2-CD 4Å; I25-K29 HydrophobicContact CG2-CG 4.44Å; I25-K29 WeakPolarHBondContact O-CB 3.33Å; I25-K29 WeakPolarHBondContact O-CG 3.29Å; I25-K29 PolarHBondContact O-N 3.36Å; H26-K29 PolarHBondContact O-N 3.34Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.36Å; K29-A32 WeakPolarHBondContact O-CB 3.44Å; K29-A32 PolarHBondContact O-N 2.68Å |
| 30 | E | 87.8 | Confident | 84.8 | Confident | 134 Ų | 134 | 113.8 Ų | 113.8 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.9 | -33.3 | 175.9 | -75 | -171.2 | 145.4 | 0 | 0 | 113.1 | H26 L28 A32 | H26-E30 VanDerWaalsContact CE1-CD 3.42Å; H26-E30 IonicContact CE1-OE1 3.83Å; H26-E30 PolarHBondContact CE1-OE1 3.13Å; H26-E30 IonicContact ND1-OE1 2.73Å; H26-E30 IonicContact ND1-OE2 2.73Å; H26-E30 PolarHBondContact O-N 3.43Å; L28-E30 PolarHBondContact O-N 3.47Å; E30-A32 PolarHBondContact O-N 3.26Å |
| 31 | K | 89.4 | Confident | 83.9 | Confident | 165 Ų | 165 | 111 Ų | 111 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.4 | -12.5 | 177.4 | -73.3 | 174.2 | -176 | 172.2 | 0 | 113.6 | K27 L28 K29 K33 | K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 3.4Å; L28-K31 PolarHBondContact O-N 2.99Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.36Å; K31-K33 PolarHBondContact O-N 2.86Å; K31-K33 VanDerWaalsContact O-N 3.12Å |
| 32 | A | 86.2 | Confident | 82.2 | Confident | 48 Ų | 48 | 116.3 Ų | 116.3 | 40% | 0.397 | 60% | 0.601 | S | S | . | * | trans | -69.2 | 107.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L28 K29 E30 K34 | L28-A32 PolarHBondContact O-N 2.95Å; K29-A32 WeakPolarHBondContact O-CB 3.44Å; K29-A32 PolarHBondContact O-N 2.68Å; E30-A32 PolarHBondContact O-N 3.26Å; A32-K34 VanDerWaalsContact C-N 3.3Å; A32-K34 PolarHBondContact O-N 3.49Å | ||
| 33 | K | 84.7 | Confident | 80.5 | Confident | 209 Ų | 209 | 119.5 Ų | 119.5 | 91% | 0.909 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -72.4 | -19 | 179.9 | -62.6 | -175 | -178.8 | 179.3 | 0 | 114.4 | K31 | K31-K33 PolarHBondContact O-N 2.86Å; K31-K33 VanDerWaalsContact O-N 3.12Å |
| 34 | K | 82.9 | Confident | 78.5 | Confident | 168 Ų | 168 | 123.9 Ų | 123.9 | 73% | 0.73 | 63% | 0.633 | S | S | * | * | trans | -124.8 | 124.5 | -178.8 | -67 | -177.5 | 179.9 | 177.6 | 0 | 108.5 | A32 | A32-K34 VanDerWaalsContact C-N 3.3Å; A32-K34 PolarHBondContact O-N 3.49Å | ||
| 35 | R | 77.5 | Confident | 76.7 | Confident | 142 Ų | 142 | 122 Ų | 122 | 54% | 0.536 | 62% | 0.624 | S | S | . | * | trans | -127.6 | 133.8 | 177.3 | -58.6 | 175.5 | 78.3 | 162.8 | 2.8 | 107.7 | F40 | R35-F40 HydrophobicContact CB-CD1 4.48Å; R35-F40 HydrophobicContact CB-CD2 4.16Å; R35-F40 HydrophobicContact CB-CE1 4.47Å; R35-F40 HydrophobicContact CB-CE2 4.15Å; R35-F40 HydrophobicContact CB-CG 4.33Å; R35-F40 HydrophobicContact CB-CZ 4.3Å; R35-F40 HydrophobicContact CG-CZ 4.49Å; R35-F40 VanDerWaalsContact NE-CE1 3.29Å; R35-F40 VanDerWaalsContact NH2-CE1 3.34Å | ||
| 36 | K | 81.3 | Confident | 75.2 | Confident | 81 Ų | 81 | 123 Ų | 123 | 35% | 0.352 | 64% | 0.638 | S | S | . | * | trans | -154.1 | 142.7 | 177.1 | 171.2 | 168.3 | -168.6 | 155.2 | 0 | 109.4 | F40 G45 S46 R47 | K36-F40 WeakPolarHBondContact O-CE2 3.07Å; K36-G45 VanDerWaalsContact CD-C 3.43Å; K36-G45 VanDerWaalsContact CD-O 3.25Å; K36-G45 WeakPolarHBondContact CD-O 3.26Å; K36-G45 WeakPolarHBondContact CE-O 3.43Å; K36-G45 PolarHBondContact NZ-O 2.88Å; K36-S46 VanDerWaalsContact CD-C 3.45Å; K36-S46 WeakPolarHBondContact CD-O 3.44Å; K36-R47 HydrophobicContact CD-CB 4.3Å; K36-R47 HydrophobicContact CD-CG 3.84Å; K36-R47 VanDerWaalsContact NZ-CG 3.31Å | ||
| 37 | G | 79.6 | Confident | 73.5 | Confident | 43 Ų | 43 | 128.5 Ų | 128.5 | 44% | 0.443 | 65% | 0.654 | S | S | . | * | S | Bend | trans | 128.4 | 160.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G39 F40 | G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.13Å; G37-F40 PolarHBondContact O-N 3.47Å; G37-F40 VanDerWaalsContact O-N 3.16Å |
| 38 | R | 82.6 | Confident | 71.8 | Confident | 259 Ų | 259 | 127.3 Ų | 127.3 | 98% | 0.977 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -15.1 | -177.1 | -66.5 | -179.9 | 175.3 | 177.2 | -2.7 | 114.1 | F40 | R38-F40 VanDerWaalsContact C-N 3.3Š|
| 39 | G | 82.3 | Confident | 69.9 | Low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -15.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G37 | G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.13Å |
| 40 | F | 74.3 | Confident | 68.2 | Low | 88 Ų | 88 | 135.8 Ų | 135.8 | 39% | 0.386 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -95.1 | 119.5 | 163.7 | -52.5 | -72.3 | 0 | 0 | 0 | 105.2 | R35 K36 G37 R38 | R35-F40 HydrophobicContact CB-CD1 4.48Å; R35-F40 HydrophobicContact CB-CD2 4.16Å; R35-F40 HydrophobicContact CB-CE1 4.47Å; R35-F40 HydrophobicContact CB-CE2 4.15Å; R35-F40 HydrophobicContact CB-CG 4.33Å; R35-F40 HydrophobicContact CB-CZ 4.3Å; R35-F40 HydrophobicContact CG-CZ 4.49Å; R35-F40 VanDerWaalsContact NE-CE1 3.29Å; R35-F40 VanDerWaalsContact NH2-CE1 3.34Å; K36-F40 WeakPolarHBondContact O-CE2 3.07Å; G37-F40 PolarHBondContact O-N 3.47Å; G37-F40 VanDerWaalsContact O-N 3.16Å; R38-F40 VanDerWaalsContact C-N 3.3Å |
| 41 | G | 66 | Low | 66.5 | Low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | -45.6 | 149.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E43 | G41-E43 PolarHBondContact O-N 2.81Š| ||
| 42 | S | 48.5 | Very low | 65.1 | Low | 125 Ų | 125 | 138.9 Ų | 138.9 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -42.2 | 84 | -164.1 | 57.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 43 | E | 53 | Low | 64.3 | Low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -144.1 | 138.6 | 161.6 | -72.7 | -167.4 | 139.1 | 0 | 0 | 108.9 | G41 | G41-E43 PolarHBondContact O-N 2.81Š| ||
| 44 | E | 47.6 | Very low | 63.5 | Low | 198 Ų | 198 | 137.8 Ų | 137.8 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | trans | -58.5 | 143.4 | -156.6 | -66.1 | 173 | 125 | 0 | 0 | 115.3 | ||||
| 45 | G | 48.2 | Very low | 62.7 | Low | 28 Ų | 28 | 137.8 Ų | 137.8 | 29% | 0.289 | 70% | 0.7 | S | S | . | * | trans | -127.6 | 126.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K36 | K36-G45 VanDerWaalsContact CD-C 3.43Å; K36-G45 VanDerWaalsContact CD-O 3.25Å; K36-G45 WeakPolarHBondContact CD-O 3.26Å; K36-G45 WeakPolarHBondContact CE-O 3.43Å; K36-G45 PolarHBondContact NZ-O 2.88Å | ||
| 46 | S | 55.3 | Low | 62.1 | Low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | -84.1 | 134.2 | 161.6 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | K36 | K36-S46 VanDerWaalsContact CD-C 3.45Å; K36-S46 WeakPolarHBondContact CD-O 3.44Å | ||
| 47 | R | 51.3 | Low | 61 | Low | 225 Ų | 225 | 134.6 Ų | 134.6 | 85% | 0.849 | 71% | 0.706 | S | S | * | * | trans | -83.7 | 126.1 | -179.8 | -105.4 | 157.5 | -176.9 | 145.2 | -1 | 109.2 | K36 | K36-R47 HydrophobicContact CD-CB 4.3Å; K36-R47 HydrophobicContact CD-CG 3.84Å; K36-R47 VanDerWaalsContact NZ-CG 3.31Å | ||
| 48 | A | 54.5 | Low | 59.9 | Low | 76 Ų | 76 | 140.1 Ų | 140.1 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | trans | -119.9 | 134.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 49 | R | 48.1 | Very low | 58.7 | Low | 256 Ų | 256 | 135.6 Ų | 135.6 | 97% | 0.966 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.1 | 175.1 | -65.1 | -179 | 179.3 | -180 | -0.6 | 107.6 | ||
| 50 | M | 51.5 | Low | 57.3 | Low | 182 Ų | 182 | 136.3 Ų | 136.3 | 90% | 0.897 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 133.5 | 175.1 | -164.4 | 162.7 | -173 | 0 | 0 | 108.2 | ||
| 51 | R | 51.1 | Low | 56.4 | Low | 234 Ų | 234 | 136.5 Ų | 136.5 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 134 | 170.8 | -172.8 | 175 | 172.3 | -170.9 | -2.5 | 107.2 | D53 | R51-D53 PolarHBondContact O-N 3.26Å; R51-D53 VanDerWaalsContact O-N 3.11Å |
| 52 | E | 60.6 | Low | 56.2 | Low | 129 Ų | 129 | 137.6 Ų | 137.6 | 60% | 0.603 | 71% | 0.712 | S | S | * | * | trans | -68.1 | 106.4 | 179.2 | -65.8 | 173.9 | 170.8 | 0 | 0 | 107.9 | K114 | E52-K114 IonicContact OE1-NZ 3.04Å; E52-K114 PolarHBondContact OE1-NZ 3.44Å; E52-K114 WeakPolarHBondContact OE2-CE 3.33Å; E52-K114 IonicContact OE2-NZ 2.9Å; E52-K114 PolarHBondContact OE2-NZ 3.49Å | ||
| 53 | D | 69.1 | Low | 57 | Low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | trans | -104.5 | 127.7 | 172.1 | -164.1 | 27.6 | 0 | 0 | 0 | 105.7 | R51 | R51-D53 PolarHBondContact O-N 3.26Å; R51-D53 VanDerWaalsContact O-N 3.11Å | ||
| 54 | Y | 68.4 | Low | 58.2 | Low | 80 Ų | 80 | 127.7 Ų | 127.7 | 31% | 0.314 | 65% | 0.654 | S | S | . | * | trans | -81.5 | 134.9 | 175.5 | -67.2 | -83.3 | 0 | 0 | 0 | 108 | S56 F76 T78 K114 Y116 | Y54-S56 PolarHBondContact O-N 3.38Å; Y54-S56 VanDerWaalsContact O-N 3.11Å; Y54-F76 HydrophobicContact CD1-CE1 4.3Å; Y54-F76 AromaticContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CE1-CZ 4.23Å; Y54-T78 HydrophobicContact CG-CG2 4.43Å; Y54-K114 PolarHBondContact OH-O 2.99Å; Y54-Y116 AromaticContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CE1 4.5Å; Y54-Y116 HydrophobicContact CE1-CG 4.47Å; Y54-Y116 AromaticContact CZ-CD1 3.9Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.26Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.41Å | ||
| 55 | D | 65.5 | Low | 60.1 | Low | 167 Ų | 167 | 119.7 Ų | 119.7 | 89% | 0.893 | 62% | 0.624 | S | S | * | * | trans | -70.4 | 107.8 | 172.5 | -154.2 | -0.9 | 0 | 0 | 0 | 107.3 | ||||
| 56 | S | 65 | Low | 62.3 | Low | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 136.1 | 170.5 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | Y54 E58 | Y54-S56 PolarHBondContact O-N 3.38Å; Y54-S56 VanDerWaalsContact O-N 3.11Å; S56-E58 PolarHBondContact O-N 3.28Å |
| 57 | V | 58.2 | Low | 64.3 | Low | 73 Ų | 73 | 118.3 Ų | 118.3 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -77.2 | 119.5 | 172.3 | -166.9 | 0 | 0 | 0 | 0 | 106.9 | Q59 E63 P155 | V57-Q59 PolarHBondContact O-N 3.32Å; V57-E63 WeakPolarHBondContact CB-OE1 3.46Å; V57-E63 HydrophobicContact CG1-CG 4.12Å; V57-E63 WeakPolarHBondContact CG1-OE1 3.35Å; V57-P155 HydrophobicContact CG1-CG 4.36Å |
| 58 | E | 57.5 | Low | 66.4 | Low | 159 Ų | 159 | 112.6 Ų | 112.6 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 125.4 | 173.6 | -69.3 | -170.8 | 155.6 | 0 | 0 | 109 | S56 D60 | S56-E58 PolarHBondContact O-N 3.28Å; E58-D60 PolarHBondContact O-N 2.68Å |
| 59 | Q | 55.7 | Low | 68.4 | Low | 164 Ų | 164 | 110.2 Ų | 110.2 | 77% | 0.766 | 56% | 0.557 | S | S | * | * | trans | -69.4 | 65.8 | 179.9 | -164.8 | 177.3 | 52.1 | 0 | 0 | 111.8 | V57 | V57-Q59 PolarHBondContact O-N 3.32Š| ||
| 60 | D | 53.3 | Low | 70.6 | Confident | 96 Ų | 96 | 104.3 Ų | 104.3 | 51% | 0.513 | 55% | 0.55 | S | S | . | . | trans | -93.2 | 127.6 | 166.7 | -96.2 | -26.6 | 0 | 0 | 0 | 108 | E58 D62 E63 | E58-D60 PolarHBondContact O-N 2.68Å; D60-D62 PolarHBondContact O-N 3Å; D60-E63 PolarHBondContact O-N 2.87Å | ||
| 61 | G | 56.2 | Low | 72.7 | Confident | 92 Ų | 92 | 102.6 Ų | 102.6 | 95% | 0.948 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 32.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 62 | D | 61.2 | Low | 74.9 | Confident | 90 Ų | 90 | 91.5 Ų | 91.5 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 24.3 | 165.8 | -132.1 | -69.9 | 0 | 0 | 0 | 110.6 | D60 K156 | D60-D62 PolarHBondContact O-N 3Å; D62-K156 HydrophobicContact CB-CB 4.22Å; D62-K156 VanDerWaalsContact OD1-CB 3.23Å; D62-K156 WeakPolarHBondContact OD1-CB 3.37Å; D62-K156 WeakPolarHBondContact OD1-CD 3.47Å |
| 63 | E | 64.8 | Low | 76.7 | Confident | 74 Ų | 74 | 86.7 Ų | 86.7 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 141.3 | -179.8 | -89.7 | -174.2 | 123.7 | 0 | 0 | 112.3 | V57 D60 G65 | V57-E63 WeakPolarHBondContact CB-OE1 3.46Å; V57-E63 HydrophobicContact CG1-CG 4.12Å; V57-E63 WeakPolarHBondContact CG1-OE1 3.35Å; D60-E63 PolarHBondContact O-N 2.87Å; E63-G65 PolarHBondContact O-N 2.96Å |
| 64 | P | 79.5 | Confident | 78.1 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 14% | 0.136 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 121.7 | 172.6 | 25.3 | -25 | 0 | 0 | 0 | 107.1 | V151 G153 | P64-V151 HydrophobicContact CB-CB 4.16Å; P64-V151 HydrophobicContact CB-CG2 4.45Å; P64-V151 HydrophobicContact CG-CB 3.84Å; P64-V151 HydrophobicContact CG-CG1 4.45Å; P64-V151 HydrophobicContact CG-CG2 3.8Å; P64-G153 WeakPolarHBondContact CB-O 3.5Å; P64-G153 WeakPolarHBondContact CG-O 3.37Å |
| 65 | G | 87.3 | Confident | 79.5 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 159.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E63 R152 | E63-G65 PolarHBondContact O-N 2.96Å; G65-R152 WeakPolarHBondContact O-CG 3.49Å; G65-R152 PolarHBondContact O-N 2.69Å |
| 66 | P | 94.9 | Very high | 81.1 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 146.3 | -172.1 | 24.6 | -34 | 0 | 0 | 0 | 112.8 | W73 Y124 W148 R152 | P66-W73 HydrophobicContact CB-CE3 4.36Å; P66-W73 HydrophobicContact CB-CZ3 3.9Å; P66-W73 HydrophobicContact CG-CZ3 4Å; P66-Y124 HydrophobicContact CG-CD2 4.45Å; P66-Y124 HydrophobicContact CG-CE2 3.61Å; P66-W148 HydrophobicContact CB-CB 4.07Å; P66-W148 HydrophobicContact CB-CD2 3.34Å; P66-W148 HydrophobicContact CB-CE3 3.73Å; P66-W148 HydrophobicContact CB-CG 3.49Å; P66-W148 VanDerWaalsContact CB-CG 3.49Å; P66-W148 HydrophobicContact CB-CZ2 4.3Å; P66-W148 HydrophobicContact CB-CZ3 4.35Å; P66-W148 HydrophobicContact CG-CD2 3.89Å; P66-W148 HydrophobicContact CG-CE3 4.42Å; P66-W148 HydrophobicContact CG-CG 4.23Å; P66-W148 HydrophobicContact CG-CH2 4.48Å; P66-W148 HydrophobicContact CG-CZ2 3.96Å; P66-R152 PolarHBondContact O-NE 3.19Å; P66-R152 PolarHBondContact O-NH1 3.23Å; P66-R152 PolarHBondContact O-NH2 2.86Å |
| 67 | Q | 95.7 | Very high | 82.6 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 126.5 | 178.6 | 176.4 | 59.2 | 51.9 | 0 | 0 | 109.6 | F150 R152 | Q67-F150 HydrophobicContact CB-CB 3.94Å; Q67-F150 HydrophobicContact CG-CB 4.34Å; Q67-F150 PolarHBondContact N-O 2.86Å; Q67-R152 HydrophobicContact CB-CG 4.34Å |
| 68 | R | 96.2 | Very high | 84.5 | Confident | 106 Ų | 106 | 64.9 Ų | 64.9 | 40% | 0.4 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 138.5 | 173.4 | -166.4 | -174.6 | 173.4 | -85.8 | 2.6 | 109.6 | V70 E71 G72 W73 | R68-V70 PolarHBondContact NH1-O 3.39Å; R68-E71 PolarHBondContact NH2-O 3.45Å; R68-E71 VanDerWaalsContact NH2-O 3.09Å; R68-G72 WeakPolarHBondContact CG-O 3.1Å; R68-W73 HydrophobicContact CB-CD2 4.15Å; R68-W73 HydrophobicContact CB-CE3 4.28Å; R68-W73 HydrophobicContact CB-CH2 3.95Å; R68-W73 HydrophobicContact CB-CZ2 3.78Å; R68-W73 HydrophobicContact CB-CZ3 4.18Å; R68-W73 HydrophobicContact CG-CD2 4Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 3.98Å |
| 69 | S | 96.5 | Very high | 86.4 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | trans | -76.9 | -178.8 | 169.2 | -63.7 | 0 | 0 | 0 | 0 | 111 | G72 I74 | S69-G72 WeakPolarHBondContact CA-O 3.27Å; S69-G72 WeakPolarHBondContact CB-O 3.22Å; S69-G72 PolarHBondContact N-O 2.9Å; S69-I74 WeakPolarHBondContact OG-CD1 3.46Å; S69-I74 WeakPolarHBondContact OG-CG1 3.39Å | ||
| 70 | V | 95.1 | Very high | 88.4 | Confident | 133 Ų | 133 | 50.8 Ų | 50.8 | 81% | 0.806 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -60.2 | -47.3 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | R68 | R68-V70 PolarHBondContact NH1-O 3.39Š|
| 71 | E | 94.6 | Very high | 90.5 | Very high | 146 Ų | 146 | 48.2 Ų | 48.2 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -107.3 | -19.9 | -172.3 | -61.2 | -169.4 | 146.3 | 0 | 0 | 114 | R68 | R68-E71 PolarHBondContact NH2-O 3.45Å; R68-E71 VanDerWaalsContact NH2-O 3.09Å |
| 72 | G | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -165 | -155.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R68 S69 E120 Y121 | R68-G72 WeakPolarHBondContact CG-O 3.1Å; S69-G72 WeakPolarHBondContact CA-O 3.27Å; S69-G72 WeakPolarHBondContact CB-O 3.22Å; S69-G72 PolarHBondContact N-O 2.9Å; G72-E120 VanDerWaalsContact CA-OE1 3.28Å; G72-E120 WeakPolarHBondContact CA-OE1 3.33Å; G72-E120 PolarHBondContact N-OE1 2.99Å; G72-Y121 CarbonylContact C-O 3.52Å; G72-Y121 WeakPolarHBondContact CA-O 3.33Å |
| 73 | W | 98.2 | Very high | 94.2 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.5 | 177.9 | -66.9 | 83.7 | 0 | 0 | 0 | 109.1 | P66 R68 E120 Y121 Y124 A127 W148 | P66-W73 HydrophobicContact CB-CE3 4.36Å; P66-W73 HydrophobicContact CB-CZ3 3.9Å; P66-W73 HydrophobicContact CG-CZ3 4Å; R68-W73 HydrophobicContact CB-CD2 4.15Å; R68-W73 HydrophobicContact CB-CE3 4.28Å; R68-W73 HydrophobicContact CB-CH2 3.95Å; R68-W73 HydrophobicContact CB-CZ2 3.78Å; R68-W73 HydrophobicContact CB-CZ3 4.18Å; R68-W73 HydrophobicContact CG-CD2 4Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 3.98Å; W73-E120 WeakPolarHBondContact O-CA 3.44Å; W73-Y121 PolarHBondContact N-O 2.95Å; W73-Y121 PolarHBondContact O-N 2.79Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.77Å; W73-Y124 HydrophobicContact CE3-CD2 3.77Å; W73-Y124 AromaticContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CE2 4.36Å; W73-Y124 HydrophobicContact CH2-CG 4.4Å; W73-Y124 AromaticContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CG 4.24Å; W73-Y124 AromaticContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CE2 4.14Å; W73-A127 HydrophobicContact CB-CB 3.78Å; W73-W148 HydrophobicContact CB-CZ3 4.25Å; W73-W148 HydrophobicContact CE3-CE3 4.41Å; W73-W148 HydrophobicContact CE3-CH2 4.43Å; W73-W148 AromaticContact CE3-CZ3 3.9Å; W73-W148 HydrophobicContact CE3-CZ3 3.9Å |
| 74 | I | 98.5 | Very high | 95.7 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.128 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.3 | -172.5 | -55.1 | -173.6 | 0 | 0 | 0 | 110 | S69 L118 V119 E120 C149 F150 | S69-I74 WeakPolarHBondContact OG-CD1 3.46Å; S69-I74 WeakPolarHBondContact OG-CG1 3.39Å; I74-L118 HydrophobicContact CG2-CB 3.98Å; I74-L118 HydrophobicContact CG2-CD2 4.4Å; I74-V119 WeakPolarHBondContact CA-O 3.45Å; I74-E120 HydrophobicContact CD1-CG 4.46Å; I74-E120 HydrophobicContact CG1-CB 3.98Å; I74-E120 HydrophobicContact CG1-CG 3.84Å; I74-C149 HydrophobicContact CB-CB 3.9Å; I74-C149 HydrophobicContact CG2-CB 3.61Å; I74-C149 WeakPolarHBondContact O-CB 3.23Å; I74-C149 PolarHBondContact O-N 2.97Å; I74-F150 HydrophobicContact CB-CE2 4.47Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å |
| 75 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139 | 168.9 | -59.1 | -177.1 | 0 | 0 | 0 | 110 | F93 L118 V119 Y121 A127 A130 M131 V146 D147 W148 | L75-F93 HydrophobicContact CD1-CE1 4.45Å; L75-L118 WeakPolarHBondContact O-CA 3.45Å; L75-V119 PolarHBondContact N-O 3.03Å; L75-V119 PolarHBondContact O-N 2.98Å; L75-Y121 HydrophobicContact CD1-CD2 4.32Å; L75-Y121 HydrophobicContact CD1-CE2 3.94Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.41Å; L75-A127 HydrophobicContact CD2-CB 4.12Å; L75-A127 HydrophobicContact CG-CB 4.24Å; L75-A130 HydrophobicContact CD1-CB 3.86Å; L75-M131 HydrophobicContact CD1-CB 4.5Å; L75-M131 HydrophobicContact CD2-CB 4.4Å; L75-M131 HydrophobicContact CD2-CE 3.51Å; L75-V146 HydrophobicContact CB-CG1 4.16Å; L75-V146 HydrophobicContact CD1-CG1 3.8Å; L75-V146 HydrophobicContact CG-CG1 4.43Å; L75-D147 CarbonylContact C-O 3.55Å; L75-D147 WeakPolarHBondContact CA-O 3.38Å; L75-W148 HydrophobicContact CD2-CD2 4.3Å; L75-W148 HydrophobicContact CD2-CE3 3.7Å; L75-W148 HydrophobicContact CD2-CZ3 3.86Å |
| 76 | F | 98.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 53 Ų | 53 | 22% | 0.219 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.7 | 170.5 | -174 | -114 | 0 | 0 | 0 | 108.3 | Y54 T78 Y116 L118 D147 C149 | Y54-F76 HydrophobicContact CD1-CE1 4.3Å; Y54-F76 AromaticContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CE1-CZ 4.23Å; F76-T78 HydrophobicContact CD1-CG2 3.57Å; F76-T78 HydrophobicContact CE1-CG2 3.08Å; F76-T78 HydrophobicContact CZ-CG2 3.72Å; F76-Y116 AromaticContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CE2 4.37Å; F76-Y116 HydrophobicContact CE2-CG 4.03Å; F76-Y116 HydrophobicContact CZ-CD2 4.3Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; F76-L118 HydrophobicContact CD2-CD2 3.52Å; F76-L118 HydrophobicContact CE2-CD2 4.19Å; F76-D147 PolarHBondContact N-O 3.44Å; F76-D147 PolarHBondContact O-N 2.77Å; F76-C149 HydrophobicContact CB-CB 3.98Å |
| 77 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.3 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | V80 F93 Y116 T117 V119 I144 S145 V146 | V77-V80 HydrophobicContact CG1-CG2 4.05Å; V77-F93 HydrophobicContact CB-CZ 4.43Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.87Å; V77-F93 HydrophobicContact CG2-CE2 4.38Å; V77-F93 HydrophobicContact CG2-CZ 3.48Å; V77-F93 VanDerWaalsContact CG2-CZ 3.48Å; V77-Y116 CarbonylContact O-C 3.6Å; V77-Y116 WeakPolarHBondContact O-CA 3.33Å; V77-Y116 VanDerWaalsContact O-CB 3.27Å; V77-Y116 WeakPolarHBondContact O-CB 3.3Å; V77-T117 HydrophobicContact CB-CG2 3.63Å; V77-T117 HydrophobicContact CG1-CG2 4.12Å; V77-T117 HydrophobicContact CG2-CG2 4.04Å; V77-T117 PolarHBondContact N-O 3.26Å; V77-T117 PolarHBondContact O-N 3.28Å; V77-V119 HydrophobicContact CG2-CG2 4.22Å; V77-I144 HydrophobicContact CG1-CB 4.2Å; V77-I144 HydrophobicContact CG1-CD1 4.16Å; V77-S145 CarbonylContact C-O 3.55Å; V77-S145 VanDerWaalsContact CA-O 3.3Å; V77-S145 WeakPolarHBondContact CA-O 3.3Å; V77-V146 HydrophobicContact CG1-CG2 4.23Å; V77-V146 HydrophobicContact CG2-CG1 4.31Å; V77-V146 HydrophobicContact CG2-CG2 4.31Å |
| 78 | T | 98 | Very high | 97.3 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 163.7 | 178.4 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | Y54 F76 V80 I144 S145 | Y54-T78 HydrophobicContact CG-CG2 4.43Å; F76-T78 HydrophobicContact CD1-CG2 3.57Å; F76-T78 HydrophobicContact CE1-CG2 3.08Å; F76-T78 HydrophobicContact CZ-CG2 3.72Å; T78-V80 VanDerWaalsContact C-N 3.32Å; T78-I144 CarbonylContact O-C 3.48Å; T78-I144 VanDerWaalsContact O-CA 3.28Å; T78-I144 WeakPolarHBondContact O-CA 3.37Å; T78-S145 PolarHBondContact N-O 2.97Å; T78-S145 PolarHBondContact O-N 2.75Å |
| 79 | G | 96.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | trans | 76.6 | 22 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G115 Q142 | G79-G115 PolarHBondContact N-O 2.87Å; G79-Q142 VanDerWaalsContact C-NE2 3.28Å; G79-Q142 PolarHBondContact O-NE2 3.5Å | ||
| 80 | V | 97.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | trans | -67.1 | 133.7 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | V77 T78 A84 I89 L113 G115 T117 L139 | V77-V80 HydrophobicContact CG1-CG2 4.05Å; T78-V80 VanDerWaalsContact C-N 3.32Å; V80-A84 HydrophobicContact CG1-CB 3.88Å; V80-I89 HydrophobicContact CG1-CD1 4.04Å; V80-L113 HydrophobicContact CG1-CD1 3.69Å; V80-G115 PolarHBondContact N-O 2.87Å; V80-G115 VanDerWaalsContact N-O 3.12Å; V80-T117 HydrophobicContact CG2-CG2 4.01Å; V80-L139 HydrophobicContact CG1-CD2 4.02Å | ||
| 81 | H | 97.8 | Very high | 97.6 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | trans | -59.8 | 140.6 | 177.8 | -174.1 | -92.2 | 0 | 0 | 0 | 111.3 | E83 A84 M140 | H81-E83 PolarHBondContact ND1-N 3.12Å; H81-E83 PolarHBondContact O-N 2.91Å; H81-A84 HydrophobicContact CB-CB 4.28Å; H81-A84 WeakPolarHBondContact O-CB 3.42Å; H81-A84 PolarHBondContact O-N 3.39Å; H81-M140 HydrophobicContact CB-CB 3.94Å; H81-M140 HydrophobicContact CB-CG 4.45Å; H81-M140 HydrophobicContact CB-SD 4.03Å | ||
| 82 | E | 97.1 | Very high | 97.7 | Very high | 110 Ų | 110 | 50.4 Ų | 50.4 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.1 | -170.4 | 72.7 | -176.1 | 148.5 | 0 | 0 | 114.2 | Y112 L113 | E82-Y112 HydrophobicContact CG-CD1 4.29Å; E82-L113 PolarHBondContact O-N 3.11Å |
| 83 | E | 97 | Very high | 97.7 | Very high | 113 Ų | 113 | 50.4 Ų | 50.4 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6.2 | 176 | -50.5 | -167 | 155.3 | 0 | 0 | 113.8 | H81 Y112 | H81-E83 PolarHBondContact ND1-N 3.12Å; H81-E83 PolarHBondContact O-N 2.91Å; E83-Y112 HydrophobicContact CG-CD1 4.11Å; E83-Y112 HydrophobicContact CG-CE1 3.88Å |
| 84 | A | 97.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | trans | -63 | 154.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V80 H81 L113 L139 M140 | V80-A84 HydrophobicContact CG1-CB 3.88Å; H81-A84 HydrophobicContact CB-CB 4.28Å; H81-A84 WeakPolarHBondContact O-CB 3.42Å; H81-A84 PolarHBondContact O-N 3.39Å; A84-L113 HydrophobicContact CB-CD1 3.87Å; A84-L113 VanDerWaalsContact O-CD1 3.23Å; A84-L113 WeakPolarHBondContact O-CD1 3.48Å; A84-L113 WeakPolarHBondContact O-CG 3.35Å; A84-L139 HydrophobicContact CB-CD2 4.28Å; A84-M140 VanDerWaalsContact CA-SD 3.55Å; A84-M140 HydrophobicContact CB-SD 3.73Å | ||
| 85 | T | 97.5 | Very high | 97.7 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | trans | -111.5 | 167.3 | 177.7 | 69 | 0 | 0 | 0 | 0 | 111 | E87 D88 I89 | T85-E87 PolarHBondContact O-N 2.94Å; T85-E87 PolarHBondContact OG1-N 3.49Å; T85-D88 WeakPolarHBondContact CB-OD2 3.47Å; T85-D88 PolarHBondContact N-OD2 2.81Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 3.25Å; T85-D88 PolarHBondContact OG1-OD2 3.48Å; T85-I89 PolarHBondContact O-N 3.27Å | ||
| 86 | E | 97.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -32 | 172.2 | -168.6 | 178.2 | 152.1 | 0 | 0 | 111.8 | I89 H90 I102 | E86-I89 PolarHBondContact O-N 3.17Å; E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 2.93Å; E86-I102 HydrophobicContact CG-CB 4.38Å; E86-I102 HydrophobicContact CG-CD1 4.33Å; E86-I102 HydrophobicContact CG-CG2 4.19Å |
| 87 | E | 97.7 | Very high | 97.6 | Very high | 139 Ų | 139 | 57.5 Ų | 57.5 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 174.4 | -173.5 | 176.1 | 175 | 0 | 0 | 111.2 | T85 I89 H90 D91 | T85-E87 PolarHBondContact O-N 2.94Å; T85-E87 PolarHBondContact OG1-N 3.49Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.94Å; E87-H90 PolarHBondContact O-N 3.36Å; E87-D91 WeakPolarHBondContact O-CB 3.39Å; E87-D91 PolarHBondContact O-N 3.38Å |
| 88 | D | 97.5 | Very high | 97.5 | Very high | 57 Ų | 57 | 63 Ų | 63 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 177.3 | -59.3 | -65.7 | 0 | 0 | 0 | 112.4 | T85 K92 | T85-D88 WeakPolarHBondContact CB-OD2 3.47Å; T85-D88 PolarHBondContact N-OD2 2.81Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 3.25Å; T85-D88 PolarHBondContact OG1-OD2 3.48Å; D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 PolarHBondContact O-N 3.48Å |
| 89 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.4 | -48 | 175.1 | -60.4 | -54.3 | 0 | 0 | 0 | 110.4 | V80 T85 E86 E87 D91 K92 F93 I102 L104 T117 V119 L139 | V80-I89 HydrophobicContact CG1-CD1 4.04Å; T85-I89 PolarHBondContact O-N 3.27Å; E86-I89 PolarHBondContact O-N 3.17Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.94Å; I89-D91 PolarHBondContact O-N 3.19Å; I89-K92 PolarHBondContact O-N 3.33Å; I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 HydrophobicContact CG2-CE2 4.3Å; I89-F93 WeakPolarHBondContact O-CB 3.21Å; I89-F93 VanDerWaalsContact O-CD2 3.27Å; I89-F93 WeakPolarHBondContact O-CD2 3.28Å; I89-F93 PolarHBondContact O-N 3.38Å; I89-I102 HydrophobicContact CG2-CD1 4.27Å; I89-I102 HydrophobicContact CG2-CG2 4.06Å; I89-L104 HydrophobicContact CB-CD1 4.41Å; I89-L104 HydrophobicContact CD1-CD1 4.37Å; I89-L104 HydrophobicContact CG1-CD1 3.4Å; I89-T117 HydrophobicContact CD1-CG2 4.18Å; I89-T117 HydrophobicContact CG1-CG2 4.31Å; I89-T117 HydrophobicContact CG2-CG2 4.1Å; I89-V119 HydrophobicContact CG2-CG2 3.95Å; I89-L139 HydrophobicContact CD1-CD2 3.58Å |
| 90 | H | 98.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 41% | 0.407 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.5 | -49.7 | 179.8 | -179.9 | -80.4 | 0 | 0 | 0 | 110.9 | E86 E87 K92 F93 A94 I102 | E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 2.93Å; E87-H90 PolarHBondContact O-N 3.36Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.02Å; H90-F93 PolarHBondContact O-N 3.24Å; H90-A94 WeakPolarHBondContact O-CB 3.46Å; H90-A94 PolarHBondContact O-N 3.28Å; H90-I102 HydrophobicContact CB-CD1 3.96Å |
| 91 | D | 97.3 | Very high | 97.6 | Very high | 105 Ų | 105 | 69.6 Ų | 69.6 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.4 | -39.4 | -178.9 | -76.2 | -4.1 | 0 | 0 | 0 | 112.6 | E87 I89 | E87-D91 WeakPolarHBondContact O-CB 3.39Å; E87-D91 PolarHBondContact O-N 3.38Å; I89-D91 PolarHBondContact O-N 3.19Å |
| 92 | K | 97 | Very high | 97.7 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.3 | -35.8 | 179.2 | -163.7 | 78 | -178.6 | -155.8 | 0 | 112.6 | D88 I89 H90 L134 D138 L139 | D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 PolarHBondContact O-N 3.48Å; I89-K92 PolarHBondContact O-N 3.33Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.02Å; K92-L134 HydrophobicContact CD-CD2 4.26Å; K92-L134 HydrophobicContact CG-CD1 4.36Å; K92-L134 HydrophobicContact CG-CD2 3.77Å; K92-D138 PolarHBondContact NZ-O 2.69Å; K92-L139 HydrophobicContact CB-CD1 4.29Å; K92-L139 HydrophobicContact CD-CD1 4.47Å; K92-L139 HydrophobicContact CG-CD1 4.3Å |
| 93 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -95.1 | -22.6 | -173.5 | -80.4 | -100.5 | 0 | 0 | 0 | 113.4 | L75 V77 I89 H90 E95 Y96 I99 V119 Y121 A130 L134 I144 V146 | L75-F93 HydrophobicContact CD1-CE1 4.45Å; V77-F93 HydrophobicContact CB-CZ 4.43Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.87Å; V77-F93 HydrophobicContact CG2-CE2 4.38Å; V77-F93 HydrophobicContact CG2-CZ 3.48Å; V77-F93 VanDerWaalsContact CG2-CZ 3.48Å; I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 HydrophobicContact CG2-CE2 4.3Å; I89-F93 WeakPolarHBondContact O-CB 3.21Å; I89-F93 VanDerWaalsContact O-CD2 3.27Å; I89-F93 WeakPolarHBondContact O-CD2 3.28Å; I89-F93 PolarHBondContact O-N 3.38Å; H90-F93 PolarHBondContact O-N 3.24Å; F93-E95 PolarHBondContact O-N 3.47Å; F93-Y96 PolarHBondContact O-N 2.92Å; F93-I99 HydrophobicContact CB-CD1 3.79Å; F93-V119 HydrophobicContact CB-CG1 4.28Å; F93-V119 HydrophobicContact CD1-CB 4.22Å; F93-V119 HydrophobicContact CD1-CG1 3.92Å; F93-V119 HydrophobicContact CD1-CG2 4.07Å; F93-V119 HydrophobicContact CE1-CB 4.48Å; F93-V119 HydrophobicContact CE1-CG2 4.2Å; F93-V119 HydrophobicContact CG-CG1 4.26Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; F93-Y121 WeakPolarHBondContact CB-OH 3.36Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y121 PolarHBondContact O-OH 3.18Å; F93-A130 HydrophobicContact CD1-CB 4.42Å; F93-L134 HydrophobicContact CB-CD1 4.49Å; F93-L134 HydrophobicContact CD1-CD1 3.54Å; F93-L134 HydrophobicContact CD2-CD1 3.78Å; F93-L134 HydrophobicContact CE1-CD1 3.52Å; F93-L134 HydrophobicContact CE2-CD1 3.77Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.63Å; F93-I144 HydrophobicContact CE2-CD1 4.22Å; F93-I144 HydrophobicContact CZ-CD1 4.26Å; F93-V146 HydrophobicContact CE1-CG1 4.39Å; F93-V146 HydrophobicContact CZ-CG2 4.09Å |
| 94 | A | 98 | Very high | 97.7 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -67.5 | -18.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H90 Y96 I99 | H90-A94 WeakPolarHBondContact O-CB 3.46Å; H90-A94 PolarHBondContact O-N 3.28Å; A94-Y96 PolarHBondContact O-N 3.44Å; A94-I99 HydrophobicContact CB-CD1 4.19Å |
| 95 | E | 97.1 | Very high | 97.7 | Very high | 135 Ų | 135 | 66.3 Ų | 66.3 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -67.1 | -17.9 | 177.7 | 70.2 | 178.5 | 163.6 | 0 | 0 | 113.8 | F93 | F93-E95 PolarHBondContact O-N 3.47Š|
| 96 | Y | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -99.4 | -13.8 | -174.4 | -60 | -83.2 | 0 | 0 | 0 | 114.7 | F93 A94 E126 A129 A130 L134 | F93-Y96 PolarHBondContact O-N 2.92Å; A94-Y96 PolarHBondContact O-N 3.44Å; Y96-E126 WeakPolarHBondContact O-CB 3.18Å; Y96-E126 WeakPolarHBondContact O-CG 3.18Å; Y96-A129 VanDerWaalsContact CD1-C 3.47Å; Y96-A129 HydrophobicContact CD1-CB 4.07Å; Y96-A129 WeakPolarHBondContact CD1-O 3.27Å; Y96-A129 WeakPolarHBondContact CE1-O 3.08Å; Y96-A130 HydrophobicContact CD1-CB 4.33Å; Y96-A130 HydrophobicContact CD2-CB 3.87Å; Y96-A130 VanDerWaalsContact CG-CA 3.41Å; Y96-A130 HydrophobicContact CG-CB 3.7Å; Y96-L134 HydrophobicContact CD2-CD1 3.96Å; Y96-L134 HydrophobicContact CD2-CG 4.3Å; Y96-L134 HydrophobicContact CE2-CD1 3.52Å; Y96-L134 HydrophobicContact CE2-CD2 3.79Å; Y96-L134 HydrophobicContact CE2-CG 3.45Å; Y96-L134 VanDerWaalsContact CE2-CG 3.45Å |
| 97 | G | 97.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 163.3 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I99 E126 | G97-I99 PolarHBondContact O-N 3.3Å; G97-E126 WeakPolarHBondContact CA-OE1 3.43Å |
| 98 | E | 97.2 | Very high | 97.6 | Very high | 115 Ų | 115 | 68.6 Ų | 68.6 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | trans | -75.3 | 115.2 | 176.1 | -171.1 | -177.1 | 141.7 | 0 | 0 | 110.6 | K100 E126 | E98-K100 PolarHBondContact O-N 2.94Å; E98-K100 IonicContact OE1-NZ 3.86Å; E98-K100 PolarHBondContact OE1-NZ 2.8Å; E98-K100 IonicContact OE2-NZ 2.72Å; E98-E126 PolarHBondContact N-OE1 3.18Å | ||
| 99 | I | 98.2 | Very high | 97.5 | Very high | 30 Ų | 30 | 76.1 Ų | 76.1 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.5 | 176 | -58.5 | 173.2 | 0 | 0 | 0 | 108.9 | F93 A94 G97 I102 V119 Y121 | F93-I99 HydrophobicContact CB-CD1 3.79Å; A94-I99 HydrophobicContact CB-CD1 4.19Å; G97-I99 PolarHBondContact O-N 3.3Å; I99-I102 HydrophobicContact CD1-CD1 4.21Å; I99-I102 HydrophobicContact CG2-CD1 3.97Å; I99-I102 HydrophobicContact CG2-CG1 3.52Å; I99-V119 HydrophobicContact CG1-CG1 4.44Å; I99-V119 HydrophobicContact CG2-CG1 4.21Å; I99-Y121 HydrophobicContact CG1-CD1 4.45Å; I99-Y121 HydrophobicContact CG1-CE1 3.83Å |
| 100 | K | 98.1 | Very high | 97.4 | Very high | 91 Ų | 91 | 79.5 Ų | 79.5 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -36.5 | 176.6 | -64.7 | -61.9 | 178.8 | -173.7 | 0 | 112.4 | E98 E120 E122 | E98-K100 PolarHBondContact O-N 2.94Å; E98-K100 IonicContact OE1-NZ 3.86Å; E98-K100 PolarHBondContact OE1-NZ 2.8Å; E98-K100 IonicContact OE2-NZ 2.72Å; K100-E120 HydrophobicContact CB-CB 4.43Å; K100-E120 HydrophobicContact CB-CG 4.21Å; K100-E120 PolarHBondContact N-O 3.31Å; K100-E122 WeakPolarHBondContact CE-OE2 3.19Å; K100-E122 HydrophobicContact CG-CB 4.42Å; K100-E122 IonicContact NZ-OE2 2.72Å; K100-E122 PolarHBondContact NZ-OE2 3.22Å |
| 101 | N | 97.9 | Very high | 97.3 | Very high | 70 Ų | 70 | 77.6 Ų | 77.6 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 148.4 | -177.7 | -158.7 | -5.8 | 0 | 0 | 0 | 111.8 | H103 E120 | N101-H103 PolarHBondContact ND2-NE2 3.4Å; N101-H103 PolarHBondContact OD1-CD2 3.12Å; N101-E120 HydrophobicContact CB-CB 4.07Å; N101-E120 PolarHBondContact O-N 3.44Å |
| 102 | I | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 77.8 Ų | 77.8 | 9% | 0.092 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.1 | 173.2 | -55.8 | 179.4 | 0 | 0 | 0 | 108.8 | E86 I89 H90 I99 L118 | E86-I102 HydrophobicContact CG-CB 4.38Å; E86-I102 HydrophobicContact CG-CD1 4.33Å; E86-I102 HydrophobicContact CG-CG2 4.19Å; I89-I102 HydrophobicContact CG2-CD1 4.27Å; I89-I102 HydrophobicContact CG2-CG2 4.06Å; H90-I102 HydrophobicContact CB-CD1 3.96Å; I99-I102 HydrophobicContact CD1-CD1 4.21Å; I99-I102 HydrophobicContact CG2-CD1 3.97Å; I99-I102 HydrophobicContact CG2-CG1 3.52Å; I102-L118 CarbonylContact C-O 3.57Å; I102-L118 VanDerWaalsContact CA-O 3.3Å; I102-L118 WeakPolarHBondContact CA-O 3.34Å |
| 103 | H | 98.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 75.5 Ų | 75.5 | 39% | 0.394 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 98.3 | 171.3 | -69.9 | -175.7 | 0 | 0 | 0 | 111.3 | N101 N105 T117 L118 | N101-H103 PolarHBondContact ND2-NE2 3.4Å; N101-H103 PolarHBondContact OD1-CD2 3.12Å; H103-N105 PolarHBondContact O-N 2.85Å; H103-T117 VanDerWaalsContact O-CA 3.28Å; H103-T117 WeakPolarHBondContact O-CA 3.36Å; H103-T117 PolarHBondContact O-OG1 3.43Å; H103-L118 HydrophobicContact CB-CB 4.07Å; H103-L118 HydrophobicContact CB-CD1 4.37Å; H103-L118 HydrophobicContact CB-CG 4.29Å; H103-L118 PolarHBondContact N-O 3.12Å; H103-L118 PolarHBondContact O-N 3.34Å; H103-L118 VanDerWaalsContact O-N 3.14Å |
| 104 | L | 97.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 77.9 Ų | 77.9 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 80.4 | -179.8 | -167.3 | 112 | 0 | 0 | 0 | 110.9 | I89 L113 | I89-L104 HydrophobicContact CB-CD1 4.41Å; I89-L104 HydrophobicContact CD1-CD1 4.37Å; I89-L104 HydrophobicContact CG1-CD1 3.4Å; L104-L113 HydrophobicContact CD1-CD1 3.78Å; L104-L113 HydrophobicContact CD2-CD1 3.74Å; L104-L113 HydrophobicContact CD2-CD2 3.23Å; L104-L113 HydrophobicContact CD2-CG 4.12Å; L104-L113 HydrophobicContact CG-CD1 3.76Å; L104-L113 HydrophobicContact CG-CD2 3.8Å; L104-L113 HydrophobicContact CG-CG 4.42Å |
| 105 | N | 97.5 | Very high | 97.2 | Very high | 66 Ų | 66 | 76.8 Ų | 76.8 | 35% | 0.353 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 140.1 | -169.2 | -70.9 | -22.3 | 0 | 0 | 0 | 113.4 | H103 K114 Y116 | H103-N105 PolarHBondContact O-N 2.85Å; N105-K114 VanDerWaalsContact O-CB 3.3Å; N105-K114 WeakPolarHBondContact O-CB 3.42Å; N105-K114 PolarHBondContact O-N 2.92Å; N105-Y116 HydrophobicContact CB-CE2 4.37Å; N105-Y116 PolarHBondContact ND2-OH 3.22Å |
| 106 | L | 97.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 72.9 Ų | 72.9 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 146.8 | 178.8 | -54.1 | -177.9 | 0 | 0 | 0 | 113.2 | R108 Y112 L113 | L106-R108 PolarHBondContact O-N 3.07Å; L106-Y112 CarbonylContact C-O 3.5Å; L106-Y112 WeakPolarHBondContact CA-O 3.02Å; L106-L113 HydrophobicContact CD2-CD2 3.44Å; L106-L113 VanDerWaalsContact CD2-CD2 3.44Å |
| 107 | D | 96.6 | Very high | 97.3 | Very high | 30 Ų | 30 | 70.1 Ų | 70.1 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 117.3 | 161.9 | -173.9 | -70.5 | 0 | 0 | 0 | 109.8 | R109 T110 G111 Y112 K114 | D107-R109 PolarHBondContact O-N 2.82Å; D107-R109 WeakPolarHBondContact OD1-CA 3.49Å; D107-R109 WeakPolarHBondContact OD1-CB 3.32Å; D107-R109 PolarHBondContact OD1-N 2.96Å; D107-T110 PolarHBondContact O-N 2.83Å; D107-T110 PolarHBondContact OD1-N 2.92Å; D107-T110 VanDerWaalsContact OD1-N 3.13Å; D107-G111 WeakPolarHBondContact O-CA 3.31Å; D107-G111 PolarHBondContact O-N 3.09Å; D107-Y112 PolarHBondContact N-O 2.73Å; D107-K114 HydrophobicContact CB-CD 4.01Å; D107-K114 IonicContact OD2-NZ 3.17Å; D107-K114 PolarHBondContact OD2-NZ 2.93Å |
| 108 | R | 96.3 | Very high | 97.3 | Very high | 243 Ų | 243 | 71 Ų | 71 | 92% | 0.917 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.6 | -172.2 | -57.6 | -58.9 | -63.6 | -139 | -2.3 | 114.3 | L106 | L106-R108 PolarHBondContact O-N 3.07Š|
| 109 | R | 95.8 | Very high | 97.4 | Very high | 214 Ų | 214 | 65.5 Ų | 65.5 | 81% | 0.808 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -44.6 | 179.6 | 179.3 | 178.5 | 61.4 | 126.1 | 3 | 111.9 | D107 | D107-R109 PolarHBondContact O-N 2.82Å; D107-R109 WeakPolarHBondContact OD1-CA 3.49Å; D107-R109 WeakPolarHBondContact OD1-CB 3.32Å; D107-R109 PolarHBondContact OD1-N 2.96Å |
| 110 | T | 96.2 | Very high | 97.4 | Very high | 71 Ų | 71 | 65 Ų | 65 | 44% | 0.436 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -26.5 | -174.3 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | D107 Y112 | D107-T110 PolarHBondContact O-N 2.83Å; D107-T110 PolarHBondContact OD1-N 2.92Å; D107-T110 VanDerWaalsContact OD1-N 3.13Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 2.9Å |
| 111 | G | 95.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 84.2 | -7.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D107 | D107-G111 WeakPolarHBondContact O-CA 3.31Å; D107-G111 PolarHBondContact O-N 3.09Å |
| 112 | Y | 96.5 | Very high | 97.4 | Very high | 108 Ų | 108 | 61.7 Ų | 61.7 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -76.5 | 173.2 | 171.4 | -70.2 | -76.4 | 0 | 0 | 0 | 111.6 | E82 E83 L106 D107 T110 | E82-Y112 HydrophobicContact CG-CD1 4.29Å; E83-Y112 HydrophobicContact CG-CD1 4.11Å; E83-Y112 HydrophobicContact CG-CE1 3.88Å; L106-Y112 CarbonylContact C-O 3.5Å; L106-Y112 WeakPolarHBondContact CA-O 3.02Å; D107-Y112 PolarHBondContact N-O 2.73Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 2.9Å |
| 113 | L | 97.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 147.2 | 174.8 | -58.5 | -162.2 | 0 | 0 | 0 | 111.8 | V80 E82 A84 L104 L106 G115 | V80-L113 HydrophobicContact CG1-CD1 3.69Å; E82-L113 PolarHBondContact O-N 3.11Å; A84-L113 HydrophobicContact CB-CD1 3.87Å; A84-L113 VanDerWaalsContact O-CD1 3.23Å; A84-L113 WeakPolarHBondContact O-CD1 3.48Å; A84-L113 WeakPolarHBondContact O-CG 3.35Å; L104-L113 HydrophobicContact CD1-CD1 3.78Å; L104-L113 HydrophobicContact CD2-CD1 3.74Å; L104-L113 HydrophobicContact CD2-CD2 3.23Å; L104-L113 HydrophobicContact CD2-CG 4.12Å; L104-L113 HydrophobicContact CG-CD1 3.76Å; L104-L113 HydrophobicContact CG-CD2 3.8Å; L104-L113 HydrophobicContact CG-CG 4.42Å; L106-L113 HydrophobicContact CD2-CD2 3.44Å; L106-L113 VanDerWaalsContact CD2-CD2 3.44Å; L113-G115 PolarHBondContact O-N 2.62Å |
| 114 | K | 97 | Very high | 97.4 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 22% | 0.222 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -14.1 | 177.6 | -166.3 | 57.9 | -172.9 | 174.4 | 0 | 113 | E52 Y54 N105 D107 Y116 | E52-K114 IonicContact OE1-NZ 3.04Å; E52-K114 PolarHBondContact OE1-NZ 3.44Å; E52-K114 WeakPolarHBondContact OE2-CE 3.33Å; E52-K114 IonicContact OE2-NZ 2.9Å; E52-K114 PolarHBondContact OE2-NZ 3.49Å; Y54-K114 PolarHBondContact OH-O 2.99Å; N105-K114 VanDerWaalsContact O-CB 3.3Å; N105-K114 WeakPolarHBondContact O-CB 3.42Å; N105-K114 PolarHBondContact O-N 2.92Å; D107-K114 HydrophobicContact CB-CD 4.01Å; D107-K114 IonicContact OD2-NZ 3.17Å; D107-K114 PolarHBondContact OD2-NZ 2.93Å; K114-Y116 HydrophobicContact CB-CD1 4.06Å; K114-Y116 HydrophobicContact CB-CE1 3.85Å; K114-Y116 HydrophobicContact CG-CD1 3.93Å; K114-Y116 HydrophobicContact CG-CE1 3.5Å |
| 115 | G | 97 | Very high | 97.4 | Very high | 16 Ų | 16 | 69.9 Ų | 69.9 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.6 | 7.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | G79 V80 L113 | G79-G115 PolarHBondContact N-O 2.87Å; V80-G115 PolarHBondContact N-O 2.87Å; V80-G115 VanDerWaalsContact N-O 3.12Å; L113-G115 PolarHBondContact O-N 2.62Å |
| 116 | Y | 98.4 | Very high | 97.4 | Very high | 54 Ų | 54 | 68.7 Ų | 68.7 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157.1 | 173.2 | 72.8 | -87.8 | 0 | 0 | 0 | 111.6 | Y54 F76 V77 N105 K114 | Y54-Y116 AromaticContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CE1 4.5Å; Y54-Y116 HydrophobicContact CE1-CG 4.47Å; Y54-Y116 AromaticContact CZ-CD1 3.9Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.26Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.41Å; F76-Y116 AromaticContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CE2 4.37Å; F76-Y116 HydrophobicContact CE2-CG 4.03Å; F76-Y116 HydrophobicContact CZ-CD2 4.3Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; V77-Y116 CarbonylContact O-C 3.6Å; V77-Y116 WeakPolarHBondContact O-CA 3.33Å; V77-Y116 VanDerWaalsContact O-CB 3.27Å; V77-Y116 WeakPolarHBondContact O-CB 3.3Å; N105-Y116 HydrophobicContact CB-CE2 4.37Å; N105-Y116 PolarHBondContact ND2-OH 3.22Å; K114-Y116 HydrophobicContact CB-CD1 4.06Å; K114-Y116 HydrophobicContact CB-CE1 3.85Å; K114-Y116 HydrophobicContact CG-CD1 3.93Å; K114-Y116 HydrophobicContact CG-CE1 3.5Å |
| 117 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.3 | 171.3 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | V77 V80 I89 H103 V119 | V77-T117 HydrophobicContact CB-CG2 3.63Å; V77-T117 HydrophobicContact CG1-CG2 4.12Å; V77-T117 HydrophobicContact CG2-CG2 4.04Å; V77-T117 PolarHBondContact N-O 3.26Å; V77-T117 PolarHBondContact O-N 3.28Å; V80-T117 HydrophobicContact CG2-CG2 4.01Å; I89-T117 HydrophobicContact CD1-CG2 4.18Å; I89-T117 HydrophobicContact CG1-CG2 4.31Å; I89-T117 HydrophobicContact CG2-CG2 4.1Å; H103-T117 VanDerWaalsContact O-CA 3.28Å; H103-T117 WeakPolarHBondContact O-CA 3.36Å; H103-T117 PolarHBondContact O-OG1 3.43Å; T117-V119 HydrophobicContact CG2-CG2 4.21Å |
| 118 | L | 98.7 | Very high | 97.5 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.9 | 169.3 | -52.5 | -179.4 | 0 | 0 | 0 | 108.7 | I74 L75 F76 I102 H103 | I74-L118 HydrophobicContact CG2-CB 3.98Å; I74-L118 HydrophobicContact CG2-CD2 4.4Å; L75-L118 WeakPolarHBondContact O-CA 3.45Å; F76-L118 HydrophobicContact CD2-CD2 3.52Å; F76-L118 HydrophobicContact CE2-CD2 4.19Å; I102-L118 CarbonylContact C-O 3.57Å; I102-L118 VanDerWaalsContact CA-O 3.3Å; I102-L118 WeakPolarHBondContact CA-O 3.34Å; H103-L118 HydrophobicContact CB-CB 4.07Å; H103-L118 HydrophobicContact CB-CD1 4.37Å; H103-L118 HydrophobicContact CB-CG 4.29Å; H103-L118 PolarHBondContact N-O 3.12Å; H103-L118 PolarHBondContact O-N 3.34Å; H103-L118 VanDerWaalsContact O-N 3.14Å |
| 119 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.5 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | I74 L75 V77 I89 F93 I99 T117 Y121 | I74-V119 WeakPolarHBondContact CA-O 3.45Å; L75-V119 PolarHBondContact N-O 3.03Å; L75-V119 PolarHBondContact O-N 2.98Å; V77-V119 HydrophobicContact CG2-CG2 4.22Å; I89-V119 HydrophobicContact CG2-CG2 3.95Å; F93-V119 HydrophobicContact CB-CG1 4.28Å; F93-V119 HydrophobicContact CD1-CB 4.22Å; F93-V119 HydrophobicContact CD1-CG1 3.92Å; F93-V119 HydrophobicContact CD1-CG2 4.07Å; F93-V119 HydrophobicContact CE1-CB 4.48Å; F93-V119 HydrophobicContact CE1-CG2 4.2Å; F93-V119 HydrophobicContact CG-CG1 4.26Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; I99-V119 HydrophobicContact CG1-CG1 4.44Å; I99-V119 HydrophobicContact CG2-CG1 4.21Å; T117-V119 HydrophobicContact CG2-CG2 4.21Å; V119-Y121 HydrophobicContact CG1-CD2 4.47Å; V119-Y121 HydrophobicContact CG1-CE2 3.95Å |
| 120 | E | 98.7 | Very high | 97.7 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.1 | 179.9 | -173.5 | 166.8 | -156.9 | 0 | 0 | 111.4 | G72 W73 I74 K100 N101 | G72-E120 VanDerWaalsContact CA-OE1 3.28Å; G72-E120 WeakPolarHBondContact CA-OE1 3.33Å; G72-E120 PolarHBondContact N-OE1 2.99Å; W73-E120 WeakPolarHBondContact O-CA 3.44Å; I74-E120 HydrophobicContact CD1-CG 4.46Å; I74-E120 HydrophobicContact CG1-CB 3.98Å; I74-E120 HydrophobicContact CG1-CG 3.84Å; K100-E120 HydrophobicContact CB-CB 4.43Å; K100-E120 HydrophobicContact CB-CG 4.21Å; K100-E120 PolarHBondContact N-O 3.31Å; N101-E120 HydrophobicContact CB-CB 4.07Å; N101-E120 PolarHBondContact O-N 3.44Å |
| 121 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 159 | 170.3 | -68.6 | -77.9 | 0 | 0 | 0 | 111.5 | G72 W73 L75 F93 I99 V119 E126 A127 A130 | G72-Y121 CarbonylContact C-O 3.52Å; G72-Y121 WeakPolarHBondContact CA-O 3.33Å; W73-Y121 PolarHBondContact N-O 2.95Å; W73-Y121 PolarHBondContact O-N 2.79Å; L75-Y121 HydrophobicContact CD1-CD2 4.32Å; L75-Y121 HydrophobicContact CD1-CE2 3.94Å; F93-Y121 WeakPolarHBondContact CB-OH 3.36Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y121 PolarHBondContact O-OH 3.18Å; I99-Y121 HydrophobicContact CG1-CD1 4.45Å; I99-Y121 HydrophobicContact CG1-CE1 3.83Å; V119-Y121 HydrophobicContact CG1-CD2 4.47Å; V119-Y121 HydrophobicContact CG1-CE2 3.95Å; Y121-E126 HydrophobicContact CD1-CB 3.92Å; Y121-E126 HydrophobicContact CG-CB 3.97Å; Y121-A127 HydrophobicContact CD2-CB 3.84Å; Y121-A127 HydrophobicContact CG-CB 4.43Å; Y121-A130 HydrophobicContact CE2-CB 3.56Å; Y121-A130 WeakPolarHBondContact OH-CB 3.35Å |
| 122 | E | 97.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -66.1 | -46.5 | 175.5 | -167.7 | 166.4 | 158.3 | 0 | 0 | 112.1 | K100 | K100-E122 WeakPolarHBondContact CE-OE2 3.19Å; K100-E122 HydrophobicContact CG-CB 4.42Å; K100-E122 IonicContact NZ-OE2 2.72Å; K100-E122 PolarHBondContact NZ-OE2 3.22Å |
| 123 | T | 97.6 | Very high | 98 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -114.7 | 152.9 | -170.4 | 75.8 | 0 | 0 | 0 | 0 | 113.4 | K125 E126 A127 | T123-K125 PolarHBondContact O-N 3.32Å; T123-E126 WeakPolarHBondContact CB-OE2 3.38Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 2.76Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.38Å; T123-E126 PolarHBondContact OG1-OE2 3.28Å; T123-A127 PolarHBondContact O-N 2.82Å |
| 124 | Y | 97.7 | Very high | 98 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 34% | 0.341 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.5 | -38.8 | 174 | 176.6 | -97.7 | 0 | 0 | 0 | 111.8 | P66 W73 A127 Q128 W148 | P66-Y124 HydrophobicContact CG-CD2 4.45Å; P66-Y124 HydrophobicContact CG-CE2 3.61Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.77Å; W73-Y124 HydrophobicContact CE3-CD2 3.77Å; W73-Y124 AromaticContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CE2 4.36Å; W73-Y124 HydrophobicContact CH2-CG 4.4Å; W73-Y124 AromaticContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CG 4.24Å; W73-Y124 AromaticContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CE2 4.14Å; Y124-A127 PolarHBondContact O-N 2.79Å; Y124-Q128 HydrophobicContact CE1-CB 4.18Å; Y124-Q128 HydrophobicContact CE1-CG 4.43Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3Å; Y124-Q128 PolarHBondContact O-N 2.73Å; Y124-Q128 PolarHBondContact OH-OE1 3.12Å; Y124-W148 AromaticContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CZ2 4.22Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.54Å; Y124-W148 HydrophobicContact CE2-CZ2 3.54Å |
| 125 | K | 98.1 | Very high | 98.1 | Very high | 164 Ų | 164 | 43.7 Ų | 43.7 | 71% | 0.713 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.8 | -42 | -174.7 | -173.3 | -174.7 | 174.7 | -169.1 | 0 | 111.5 | T123 A129 | T123-K125 PolarHBondContact O-N 3.32Å; K125-A129 VanDerWaalsContact O-CB 3.27Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.31Å |
| 126 | E | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -49 | 177.1 | -66.7 | 162.3 | 134.6 | 0 | 0 | 110.6 | Y96 G97 E98 Y121 T123 Q128 A129 A130 | Y96-E126 WeakPolarHBondContact O-CB 3.18Å; Y96-E126 WeakPolarHBondContact O-CG 3.18Å; G97-E126 WeakPolarHBondContact CA-OE1 3.43Å; E98-E126 PolarHBondContact N-OE1 3.18Å; Y121-E126 HydrophobicContact CD1-CB 3.92Å; Y121-E126 HydrophobicContact CG-CB 3.97Å; T123-E126 WeakPolarHBondContact CB-OE2 3.38Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 2.76Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.38Å; T123-E126 PolarHBondContact OG1-OE2 3.28Å; E126-Q128 PolarHBondContact O-N 2.72Å; E126-A129 PolarHBondContact O-N 3.14Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.91Å |
| 127 | A | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W73 L75 Y121 T123 Y124 A130 M131 W148 | W73-A127 HydrophobicContact CB-CB 3.78Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.41Å; L75-A127 HydrophobicContact CD2-CB 4.12Å; L75-A127 HydrophobicContact CG-CB 4.24Å; Y121-A127 HydrophobicContact CD2-CB 3.84Å; Y121-A127 HydrophobicContact CG-CB 4.43Å; T123-A127 PolarHBondContact O-N 2.82Å; Y124-A127 PolarHBondContact O-N 2.79Å; A127-A130 PolarHBondContact O-N 2.93Å; A127-M131 WeakPolarHBondContact O-CB 3.39Å; A127-M131 PolarHBondContact O-N 2.84Å; A127-W148 HydrophobicContact CB-CH2 3.83Å; A127-W148 HydrophobicContact CB-CZ3 3.6Å |
| 128 | Q | 97.9 | Very high | 97.9 | Very high | 62 Ų | 62 | 51 Ų | 51 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 176.8 | -167.9 | -169.9 | -94.8 | 0 | 0 | 111.1 | Y124 E126 M131 E132 W148 | Y124-Q128 HydrophobicContact CE1-CB 4.18Å; Y124-Q128 HydrophobicContact CE1-CG 4.43Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3Å; Y124-Q128 PolarHBondContact O-N 2.73Å; Y124-Q128 PolarHBondContact OH-OE1 3.12Å; E126-Q128 PolarHBondContact O-N 2.72Å; Q128-M131 PolarHBondContact O-N 3.42Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.38Å; Q128-E132 PolarHBondContact NE2-OE1 3.33Å; Q128-E132 WeakPolarHBondContact O-CG 3.38Å; Q128-E132 PolarHBondContact O-N 3.36Å; Q128-W148 HydrophobicContact CB-CH2 4.13Å; Q128-W148 HydrophobicContact CB-CZ2 4.05Å; Q128-W148 HydrophobicContact CG-CZ2 4.31Å |
| 129 | A | 98.2 | Very high | 97.8 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y96 K125 E126 E132 G133 | Y96-A129 VanDerWaalsContact CD1-C 3.47Å; Y96-A129 HydrophobicContact CD1-CB 4.07Å; Y96-A129 WeakPolarHBondContact CD1-O 3.27Å; Y96-A129 WeakPolarHBondContact CE1-O 3.08Å; K125-A129 VanDerWaalsContact O-CB 3.27Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.31Å; E126-A129 PolarHBondContact O-N 3.14Å; A129-E132 PolarHBondContact O-N 3.29Å; A129-G133 PolarHBondContact O-N 3.01Å |
| 130 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L75 F93 Y96 Y121 E126 A127 G133 L134 | L75-A130 HydrophobicContact CD1-CB 3.86Å; F93-A130 HydrophobicContact CD1-CB 4.42Å; Y96-A130 HydrophobicContact CD1-CB 4.33Å; Y96-A130 HydrophobicContact CD2-CB 3.87Å; Y96-A130 VanDerWaalsContact CG-CA 3.41Å; Y96-A130 HydrophobicContact CG-CB 3.7Å; Y121-A130 HydrophobicContact CE2-CB 3.56Å; Y121-A130 WeakPolarHBondContact OH-CB 3.35Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.91Å; A127-A130 PolarHBondContact O-N 2.93Å; A130-G133 PolarHBondContact O-N 3.32Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.27Å; A130-L134 PolarHBondContact O-N 3.2Å |
| 131 | M | 97.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 56 Ų | 56 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -51.5 | 176 | 178.7 | -175.2 | -61 | 0 | 0 | 112 | L75 A127 Q128 G133 N135 V146 D147 W148 | L75-M131 HydrophobicContact CD1-CB 4.5Å; L75-M131 HydrophobicContact CD2-CB 4.4Å; L75-M131 HydrophobicContact CD2-CE 3.51Å; A127-M131 WeakPolarHBondContact O-CB 3.39Å; A127-M131 PolarHBondContact O-N 2.84Å; Q128-M131 PolarHBondContact O-N 3.42Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 3.17Å; M131-N135 WeakPolarHBondContact O-CB 3.26Å; M131-N135 PolarHBondContact O-N 3.05Å; M131-V146 HydrophobicContact CB-CG1 4.21Å; M131-V146 HydrophobicContact CG-CG1 4.39Å; M131-V146 WeakPolarHBondContact CG-O 3.07Å; M131-D147 VanDerWaalsContact CE-C 3.43Å; M131-W148 HydrophobicContact CE-CB 4.25Å; M131-W148 VanDerWaalsContact CE-CD1 3.48Å; M131-W148 HydrophobicContact CE-CD2 3.37Å; M131-W148 HydrophobicContact CE-CE3 4.03Å; M131-W148 HydrophobicContact CE-CG 3.46Å; M131-W148 VanDerWaalsContact CE-CG 3.46Å; M131-W148 HydrophobicContact CE-CZ2 4.03Å; M131-W148 VanDerWaalsContact CE-N 3.29Å |
| 132 | E | 97.4 | Very high | 97.3 | Very high | 140 Ų | 140 | 59.6 Ų | 59.6 | 65% | 0.654 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.3 | -34.6 | -179.3 | -71 | 172.7 | -166.8 | 0 | 0 | 112.4 | Q128 A129 | Q128-E132 WeakPolarHBondContact CG-OE1 3.38Å; Q128-E132 PolarHBondContact NE2-OE1 3.33Å; Q128-E132 WeakPolarHBondContact O-CG 3.38Å; Q128-E132 PolarHBondContact O-N 3.36Å; A129-E132 PolarHBondContact O-N 3.29Å |
| 133 | G | 97.7 | Very high | 97.3 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79.1 | -37.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A129 A130 M131 Q137 | A129-G133 PolarHBondContact O-N 3.01Å; A130-G133 PolarHBondContact O-N 3.32Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 3.17Å; G133-Q137 WeakPolarHBondContact O-CG 3.2Å; G133-Q137 PolarHBondContact O-NE2 3.28Å; G133-Q137 VanDerWaalsContact O-NE2 3.15Å |
| 134 | L | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -105 | -17.9 | -169.4 | -63.3 | 176.3 | 0 | 0 | 0 | 114.9 | K92 F93 Y96 A130 G136 Q137 I144 V146 | K92-L134 HydrophobicContact CD-CD2 4.26Å; K92-L134 HydrophobicContact CG-CD1 4.36Å; K92-L134 HydrophobicContact CG-CD2 3.77Å; F93-L134 HydrophobicContact CB-CD1 4.49Å; F93-L134 HydrophobicContact CD1-CD1 3.54Å; F93-L134 HydrophobicContact CD2-CD1 3.78Å; F93-L134 HydrophobicContact CE1-CD1 3.52Å; F93-L134 HydrophobicContact CE2-CD1 3.77Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.63Å; Y96-L134 HydrophobicContact CD2-CD1 3.96Å; Y96-L134 HydrophobicContact CD2-CG 4.3Å; Y96-L134 HydrophobicContact CE2-CD1 3.52Å; Y96-L134 HydrophobicContact CE2-CD2 3.79Å; Y96-L134 HydrophobicContact CE2-CG 3.45Å; Y96-L134 VanDerWaalsContact CE2-CG 3.45Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.27Å; A130-L134 PolarHBondContact O-N 3.2Å; L134-G136 PolarHBondContact O-N 3.22Å; L134-Q137 HydrophobicContact CD2-CG 4.43Å; L134-Q137 VanDerWaalsContact O-CB 3.31Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 WeakPolarHBondContact O-CG 3.04Å; L134-Q137 PolarHBondContact O-N 3.25Å; L134-I144 HydrophobicContact CB-CD1 4.48Å; L134-V146 HydrophobicContact CB-CG2 4.02Å |
| 135 | N | 97.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 121.7 | 178.7 | -167.8 | 13.9 | 0 | 0 | 0 | 110.9 | M131 Q137 S145 V146 | M131-N135 WeakPolarHBondContact O-CB 3.26Å; M131-N135 PolarHBondContact O-N 3.05Å; N135-Q137 VanDerWaalsContact C-N 3.31Å; N135-S145 WeakPolarHBondContact OD1-CA 3.28Å; N135-V146 HydrophobicContact CB-CB 4.09Å; N135-V146 PolarHBondContact ND2-O 3.39Å; N135-V146 PolarHBondContact OD1-N 2.83Å |
| 136 | G | 96.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L134 I144 | L134-G136 PolarHBondContact O-N 3.22Å; G136-I144 VanDerWaalsContact CA-O 3.26Å; G136-I144 WeakPolarHBondContact CA-O 3.3Å; G136-I144 PolarHBondContact N-O 3.12Å |
| 137 | Q | 97.4 | Very high | 97.3 | Very high | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | trans | -76.4 | 164 | 175.6 | -64.2 | -61.8 | -16.3 | 0 | 0 | 112.2 | G133 L134 N135 P143 I144 | G133-Q137 WeakPolarHBondContact O-CG 3.2Å; G133-Q137 PolarHBondContact O-NE2 3.28Å; G133-Q137 VanDerWaalsContact O-NE2 3.15Å; L134-Q137 HydrophobicContact CD2-CG 4.43Å; L134-Q137 VanDerWaalsContact O-CB 3.31Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 WeakPolarHBondContact O-CG 3.04Å; L134-Q137 PolarHBondContact O-N 3.25Å; N135-Q137 VanDerWaalsContact C-N 3.31Å; Q137-P143 CarbonylContact O-C 3.57Å; Q137-P143 VanDerWaalsContact O-CA 3.32Å; Q137-P143 WeakPolarHBondContact O-CA 3.49Å; Q137-I144 WeakPolarHBondContact O-CG1 3.25Å; Q137-I144 PolarHBondContact O-N 2.86Å | ||
| 138 | D | 96.8 | Very high | 97.3 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 136.3 | 177.5 | -171.4 | -90.5 | 0 | 0 | 0 | 112.8 | K92 G141 Q142 | K92-D138 PolarHBondContact NZ-O 2.69Å; D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.16Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D138-G141 PolarHBondContact OD2-N 3.21Å; D138-Q142 PolarHBondContact OD2-N 3.46Å; D138-Q142 VanDerWaalsContact OD2-N 3.12Å |
| 139 | L | 95.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 113 | 166.3 | -171.7 | 81.7 | 0 | 0 | 0 | 108.6 | V80 A84 I89 K92 G141 Q142 I144 | V80-L139 HydrophobicContact CG1-CD2 4.02Å; A84-L139 HydrophobicContact CB-CD2 4.28Å; I89-L139 HydrophobicContact CD1-CD2 3.58Å; K92-L139 HydrophobicContact CB-CD1 4.29Å; K92-L139 HydrophobicContact CD-CD1 4.47Å; K92-L139 HydrophobicContact CG-CD1 4.3Å; L139-G141 VanDerWaalsContact C-N 3.28Å; L139-G141 PolarHBondContact O-N 2.9Å; L139-Q142 PolarHBondContact N-O 3.05Å; L139-Q142 PolarHBondContact O-N 3.04Å; L139-Q142 VanDerWaalsContact O-N 3.12Å; L139-I144 HydrophobicContact CB-CG2 3.76Å; L139-I144 HydrophobicContact CD2-CG2 4.25Å |
| 140 | M | 95.6 | Very high | 97.1 | Very high | 89 Ų | 89 | 52 Ų | 52 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 36.8 | -178.1 | -57 | -179.6 | 73.6 | 0 | 0 | 114.4 | H81 A84 Q142 | H81-M140 HydrophobicContact CB-CB 3.94Å; H81-M140 HydrophobicContact CB-CG 4.45Å; H81-M140 HydrophobicContact CB-SD 4.03Å; A84-M140 VanDerWaalsContact CA-SD 3.55Å; A84-M140 HydrophobicContact CB-SD 3.73Å; M140-Q142 VanDerWaalsContact C-N 3.31Å |
| 141 | G | 95.3 | Very high | 96.9 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 6.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D138 L139 | D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.16Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D138-G141 PolarHBondContact OD2-N 3.21Å; L139-G141 VanDerWaalsContact C-N 3.28Å; L139-G141 PolarHBondContact O-N 2.9Å |
| 142 | Q | 95.9 | Very high | 96.5 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.7 | 177.3 | -168.3 | 171.1 | -54.6 | 0 | 0 | 110.6 | G79 D138 L139 M140 | G79-Q142 VanDerWaalsContact C-NE2 3.28Å; G79-Q142 PolarHBondContact O-NE2 3.5Å; D138-Q142 PolarHBondContact OD2-N 3.46Å; D138-Q142 VanDerWaalsContact OD2-N 3.12Å; L139-Q142 PolarHBondContact N-O 3.05Å; L139-Q142 PolarHBondContact O-N 3.04Å; L139-Q142 VanDerWaalsContact O-N 3.12Å; M140-Q142 VanDerWaalsContact C-N 3.31Å |
| 143 | P | 97.5 | Very high | 95.9 | Very high | 87 Ų | 87 | 56 Ų | 56 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 133.7 | 175.9 | 28.3 | -33.9 | 0 | 0 | 0 | 110.8 | Q137 | Q137-P143 CarbonylContact O-C 3.57Å; Q137-P143 VanDerWaalsContact O-CA 3.32Å; Q137-P143 WeakPolarHBondContact O-CA 3.49Å |
| 144 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -99.6 | 148.3 | 173.1 | 59.1 | 167.7 | 0 | 0 | 0 | 110.9 | V77 T78 F93 L134 G136 Q137 L139 V146 | V77-I144 HydrophobicContact CG1-CB 4.2Å; V77-I144 HydrophobicContact CG1-CD1 4.16Å; T78-I144 CarbonylContact O-C 3.48Å; T78-I144 VanDerWaalsContact O-CA 3.28Å; T78-I144 WeakPolarHBondContact O-CA 3.37Å; F93-I144 HydrophobicContact CE2-CD1 4.22Å; F93-I144 HydrophobicContact CZ-CD1 4.26Å; L134-I144 HydrophobicContact CB-CD1 4.48Å; G136-I144 VanDerWaalsContact CA-O 3.26Å; G136-I144 WeakPolarHBondContact CA-O 3.3Å; G136-I144 PolarHBondContact N-O 3.12Å; Q137-I144 WeakPolarHBondContact O-CG1 3.25Å; Q137-I144 PolarHBondContact O-N 2.86Å; L139-I144 HydrophobicContact CB-CG2 3.76Å; L139-I144 HydrophobicContact CD2-CG2 4.25Å; I144-V146 HydrophobicContact CD1-CG2 4.1Å; I144-V146 HydrophobicContact CG1-CG2 4.47Å | ||
| 145 | S | 98.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.4 | 168.1 | -58.7 | 0 | 0 | 0 | 0 | 109.3 | V77 T78 N135 | V77-S145 CarbonylContact C-O 3.55Å; V77-S145 VanDerWaalsContact CA-O 3.3Å; V77-S145 WeakPolarHBondContact CA-O 3.3Å; T78-S145 PolarHBondContact N-O 2.97Å; T78-S145 PolarHBondContact O-N 2.75Å; N135-S145 WeakPolarHBondContact OD1-CA 3.28Å |
| 146 | V | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.4 | -176.4 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | L75 V77 F93 M131 L134 N135 I144 | L75-V146 HydrophobicContact CB-CG1 4.16Å; L75-V146 HydrophobicContact CD1-CG1 3.8Å; L75-V146 HydrophobicContact CG-CG1 4.43Å; V77-V146 HydrophobicContact CG1-CG2 4.23Å; V77-V146 HydrophobicContact CG2-CG1 4.31Å; V77-V146 HydrophobicContact CG2-CG2 4.31Å; F93-V146 HydrophobicContact CE1-CG1 4.39Å; F93-V146 HydrophobicContact CZ-CG2 4.09Å; M131-V146 HydrophobicContact CB-CG1 4.21Å; M131-V146 HydrophobicContact CG-CG1 4.39Å; M131-V146 WeakPolarHBondContact CG-O 3.07Å; L134-V146 HydrophobicContact CB-CG2 4.02Å; N135-V146 HydrophobicContact CB-CB 4.09Å; N135-V146 PolarHBondContact ND2-O 3.39Å; N135-V146 PolarHBondContact OD1-N 2.83Å; I144-V146 HydrophobicContact CD1-CG2 4.1Å; I144-V146 HydrophobicContact CG1-CG2 4.47Å |
| 147 | D | 97.4 | Very high | 90.7 | Very high | 59 Ų | 59 | 68.2 Ų | 68.2 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 168.5 | -177.2 | -69.2 | -69.4 | 0 | 0 | 0 | 111.1 | L75 F76 M131 C149 | L75-D147 CarbonylContact C-O 3.55Å; L75-D147 WeakPolarHBondContact CA-O 3.38Å; F76-D147 PolarHBondContact N-O 3.44Å; F76-D147 PolarHBondContact O-N 2.77Å; M131-D147 VanDerWaalsContact CE-C 3.43Å; D147-C149 PolarHBondContact O-N 2.64Å |
| 148 | W | 97.2 | Very high | 88.7 | Confident | 53 Ų | 53 | 71 Ų | 71 | 20% | 0.201 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 130.4 | 172.4 | -65.9 | 111.5 | 0 | 0 | 0 | 109.6 | P66 W73 L75 Y124 A127 Q128 M131 | P66-W148 HydrophobicContact CB-CB 4.07Å; P66-W148 HydrophobicContact CB-CD2 3.34Å; P66-W148 HydrophobicContact CB-CE3 3.73Å; P66-W148 HydrophobicContact CB-CG 3.49Å; P66-W148 VanDerWaalsContact CB-CG 3.49Å; P66-W148 HydrophobicContact CB-CZ2 4.3Å; P66-W148 HydrophobicContact CB-CZ3 4.35Å; P66-W148 HydrophobicContact CG-CD2 3.89Å; P66-W148 HydrophobicContact CG-CE3 4.42Å; P66-W148 HydrophobicContact CG-CG 4.23Å; P66-W148 HydrophobicContact CG-CH2 4.48Å; P66-W148 HydrophobicContact CG-CZ2 3.96Å; W73-W148 HydrophobicContact CB-CZ3 4.25Å; W73-W148 HydrophobicContact CE3-CE3 4.41Å; W73-W148 HydrophobicContact CE3-CH2 4.43Å; W73-W148 AromaticContact CE3-CZ3 3.9Å; W73-W148 HydrophobicContact CE3-CZ3 3.9Å; L75-W148 HydrophobicContact CD2-CD2 4.3Å; L75-W148 HydrophobicContact CD2-CE3 3.7Å; L75-W148 HydrophobicContact CD2-CZ3 3.86Å; Y124-W148 AromaticContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CZ2 4.22Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.54Å; Y124-W148 HydrophobicContact CE2-CZ2 3.54Å; A127-W148 HydrophobicContact CB-CH2 3.83Å; A127-W148 HydrophobicContact CB-CZ3 3.6Å; Q128-W148 HydrophobicContact CB-CH2 4.13Å; Q128-W148 HydrophobicContact CB-CZ2 4.05Å; Q128-W148 HydrophobicContact CG-CZ2 4.31Å; M131-W148 HydrophobicContact CE-CB 4.25Å; M131-W148 VanDerWaalsContact CE-CD1 3.48Å; M131-W148 HydrophobicContact CE-CD2 3.37Å; M131-W148 HydrophobicContact CE-CE3 4.03Å; M131-W148 HydrophobicContact CE-CG 3.46Å; M131-W148 VanDerWaalsContact CE-CG 3.46Å; M131-W148 HydrophobicContact CE-CZ2 4.03Å; M131-W148 VanDerWaalsContact CE-N 3.29Å |
| 149 | C | 96.9 | Very high | 86.4 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 20% | 0.203 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -70.9 | -34.6 | -179.2 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | I74 F76 D147 | I74-C149 HydrophobicContact CB-CB 3.9Å; I74-C149 HydrophobicContact CG2-CB 3.61Å; I74-C149 WeakPolarHBondContact O-CB 3.23Å; I74-C149 PolarHBondContact O-N 2.97Å; F76-C149 HydrophobicContact CB-CB 3.98Å; D147-C149 PolarHBondContact O-N 2.64Å |
| 150 | F | 95.7 | Very high | 84.2 | Confident | 100 Ų | 100 | 89.5 Ų | 89.5 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | trans | -131.9 | 144.6 | -179.6 | -54.7 | -65.4 | 0 | 0 | 0 | 110.6 | Q67 I74 | Q67-F150 HydrophobicContact CB-CB 3.94Å; Q67-F150 HydrophobicContact CG-CB 4.34Å; Q67-F150 PolarHBondContact N-O 2.86Å; I74-F150 HydrophobicContact CB-CE2 4.47Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å | ||
| 151 | V | 94.3 | Very high | 81.7 | Confident | 57 Ų | 57 | 88.5 Ų | 88.5 | 35% | 0.345 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 156.6 | 179.6 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | P64 G153 | P64-V151 HydrophobicContact CB-CB 4.16Å; P64-V151 HydrophobicContact CB-CG2 4.45Å; P64-V151 HydrophobicContact CG-CB 3.84Å; P64-V151 HydrophobicContact CG-CG1 4.45Å; P64-V151 HydrophobicContact CG-CG2 3.8Å; V151-G153 WeakPolarHBondContact CG2-O 3.07Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.13Å |
| 152 | R | 89.2 | Confident | 79.1 | Confident | 159 Ų | 159 | 88.6 Ų | 88.6 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -68.1 | -9.8 | -171.5 | -75.4 | -178.4 | -176.2 | 110.2 | 3.1 | 115.6 | G65 P66 Q67 | G65-R152 WeakPolarHBondContact O-CG 3.49Å; G65-R152 PolarHBondContact O-N 2.69Å; P66-R152 PolarHBondContact O-NE 3.19Å; P66-R152 PolarHBondContact O-NH1 3.23Å; P66-R152 PolarHBondContact O-NH2 2.86Å; Q67-R152 HydrophobicContact CB-CG 4.34Å |
| 153 | G | 83.4 | Confident | 76.6 | Confident | 29 Ų | 29 | 94.2 Ų | 94.2 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | S | Bend | trans | 174.9 | -174 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P64 V151 | P64-G153 WeakPolarHBondContact CB-O 3.5Å; P64-G153 WeakPolarHBondContact CG-O 3.37Å; V151-G153 WeakPolarHBondContact CG2-O 3.07Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.13Å |
| 154 | P | 80.3 | Confident | 74.1 | Confident | 102 Ų | 102 | 101.6 Ų | 101.6 | 66% | 0.662 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -66.1 | 150.3 | 176.5 | 27.5 | -33.5 | 0 | 0 | 0 | 110.6 | K156 | P154-K156 PolarHBondContact O-N 2.73Š|
| 155 | P | 74.1 | Confident | 71.8 | Confident | 82 Ų | 82 | 110 Ų | 110 | 53% | 0.532 | 54% | 0.542 | S | S | . | . | trans | -52.2 | 136.8 | 170.3 | -24.1 | 32.9 | 0 | 0 | 0 | 110.4 | V57 G157 | V57-P155 HydrophobicContact CG1-CG 4.36Å; P155-G157 PolarHBondContact O-N 3.13Å | ||
| 156 | K | 67.1 | Low | 69.6 | Low | 153 Ų | 153 | 112.1 Ų | 112.1 | 67% | 0.665 | 56% | 0.558 | S | S | * | * | trans | -68.9 | 86.3 | 168.8 | -67.9 | -140.3 | -177.2 | 173.9 | 0 | 107.5 | D62 P154 K158 | D62-K156 HydrophobicContact CB-CB 4.22Å; D62-K156 VanDerWaalsContact OD1-CB 3.23Å; D62-K156 WeakPolarHBondContact OD1-CB 3.37Å; D62-K156 WeakPolarHBondContact OD1-CD 3.47Å; P154-K156 PolarHBondContact O-N 2.73Å; K156-K158 PolarHBondContact O-N 2.71Å | ||
| 157 | G | 61.4 | Low | 67.3 | Low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | trans | -52.6 | 117.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | P155 R159 | P155-G157 PolarHBondContact O-N 3.13Å; G157-R159 PolarHBondContact O-N 2.88Å | ||
| 158 | K | 53.9 | Low | 65.4 | Low | 154 Ų | 154 | 125.9 Ų | 125.9 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | trans | -53.9 | 101.4 | 159.1 | -80.6 | 173.6 | -174.2 | 154.6 | 0 | 104 | K156 R160 | K156-K158 PolarHBondContact O-N 2.71Å; K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 3.05Å | ||
| 159 | R | 49.3 | Very low | 63.4 | Low | 234 Ų | 234 | 129.2 Ų | 129.2 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | trans | -43.2 | 104.8 | 165.5 | -81.5 | -176.7 | 149.8 | 148.4 | -1 | 103.5 | G157 G161 | G157-R159 PolarHBondContact O-N 2.88Å; R159-G161 WeakPolarHBondContact O-CA 3.49Å; R159-G161 PolarHBondContact O-N 3.3Å | ||
| 160 | R | 49.7 | Very low | 61.5 | Low | 242 Ų | 242 | 134.1 Ų | 134.1 | 91% | 0.913 | 67% | 0.672 | S | S | * | * | trans | -55.2 | 102.4 | -176.1 | -79 | -175.5 | 103.1 | 167.7 | 9.8 | 104 | K158 G162 | K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 3.05Å; R160-G162 PolarHBondContact O-N 3.13Å | ||
| 161 | G | 42.3 | Very low | 59.6 | Low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -50.3 | 121.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 105 | R159 R163 | R159-G161 WeakPolarHBondContact O-CA 3.49Å; R159-G161 PolarHBondContact O-N 3.3Å; G161-R163 PolarHBondContact O-N 2.92Å; G161-R163 VanDerWaalsContact O-N 3.09Å | ||
| 162 | G | 42.5 | Very low | 57.8 | Low | 64 Ų | 64 | 147.9 Ų | 147.9 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | -38.8 | 124.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | R160 R164 | R160-G162 PolarHBondContact O-N 3.13Å; G162-R164 PolarHBondContact O-N 3.44Å | ||
| 163 | R | 43.4 | Very low | 56.2 | Low | 192 Ų | 192 | 150.8 Ų | 150.8 | 73% | 0.725 | 73% | 0.726 | S | S | * | * | trans | -59.9 | 81.3 | 177.1 | -163.9 | -171.2 | -170.4 | 160.7 | 7.2 | 106.8 | G161 R165 | G161-R163 PolarHBondContact O-N 2.92Å; G161-R163 VanDerWaalsContact O-N 3.09Å; R163-R165 HydrophobicContact CG-CG 4Å; R163-R165 VanDerWaalsContact NE-NE 3.12Å; R163-R165 PolarHBondContact O-N 3.39Å | ||
| 164 | R | 44.3 | Very low | 55.1 | Low | 242 Ų | 242 | 164.8 Ų | 164.8 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -65.6 | 74.6 | 158.6 | -74.6 | -174.6 | 174.6 | -171.2 | -0.4 | 103.2 | G162 S166 | G162-R164 PolarHBondContact O-N 3.44Å; R164-S166 PolarHBondContact O-N 3.13Å | ||
| 165 | R | 48.9 | Very low | 53.8 | Low | 176 Ų | 176 | 167.9 Ų | 167.9 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 97.9 | 154.1 | -91.7 | 178.7 | 171 | 170 | -6.2 | 103.9 | R163 R167 | R163-R165 HydrophobicContact CG-CG 4Å; R163-R165 VanDerWaalsContact NE-NE 3.12Å; R163-R165 PolarHBondContact O-N 3.39Å; R165-R167 PolarHBondContact O-N 3.3Å | ||
| 166 | S | 52.6 | Low | 52.8 | Low | 97 Ų | 97 | 172.4 Ų | 172.4 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -9.1 | 104.5 | 165.9 | 38.1 | 0 | 0 | 0 | 0 | 113.6 | R164 S168 | R164-S166 PolarHBondContact O-N 3.13Å; S166-S168 PolarHBondContact O-N 3.21Å | ||
| 167 | R | 50.2 | Low | 52 | Low | 250 Ų | 250 | 173.5 Ų | 173.5 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 87.6 | 140.9 | -85 | -178.5 | 171 | 170.7 | -2.6 | 106.5 | R165 | R165-R167 PolarHBondContact O-N 3.3Š| ||
| 168 | S | 57.6 | Low | 51.4 | Low | 98 Ų | 98 | 180.1 Ų | 180.1 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -123.9 | 94.6 | 158.3 | -60.4 | 0 | 0 | 0 | 0 | 106.9 | S166 | S166-S168 PolarHBondContact O-N 3.21Š| ||
| 169 | P | 53.6 | Low | 51.3 | Low | 123 Ų | 123 | 181.7 Ų | 181.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -82.5 | 108.3 | 159.3 | 22 | -8.6 | 0 | 0 | 0 | 107.2 | ||||
| 170 | D | 58.6 | Low | 51.4 | Low | 132 Ų | 132 | 178.2 Ų | 178.2 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -135.4 | 107.2 | 164.8 | -160 | 34.9 | 0 | 0 | 0 | 113 | ||||
| 171 | R | 55.7 | Low | 51.5 | Low | 191 Ų | 191 | 173.6 Ų | 173.6 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | 23.3 | 113.9 | 140.8 | -59.1 | 174.1 | -176.3 | -159.4 | 0.3 | 117.3 | ||||
| 172 | R | 55.2 | Low | 52.2 | Low | 255 Ų | 255 | 181.8 Ų | 181.8 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | -122.8 | 106.5 | 127.7 | -75.8 | -170.1 | 176.9 | -177.2 | -0.4 | 109.6 | |||||
| 173 | R | 56.2 | Low | 53.1 | Low | 220 Ų | 220 | 191.6 Ų | 191.6 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -70.6 | 118.5 | 159.4 | -78.6 | 177.6 | 167.9 | -177.9 | -5.1 | 108.1 | ||||
| 174 | R | 60.6 | Low | 53.9 | Low | 323 Ų | 323 | 191.5 Ų | 191.5 | 100% | 1.219 | 83% | 0.829 | S | S | * | * | -171.8 | 0 | 128.4 | -105.8 | -172.3 | -177.6 | -146.7 | 1.3 | 108.9 |
Retrieved 174 of 174 residues in 96.9 ms
(Link to these results)