| 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 | 37.3 | Very low | 44.2 | Very low | 244 Ų | 244 | 171 Ų | 171 | 100% | 1.202 | 84% | 0.835 | S | S | * | * | 0 | 124.3 | 0 | -82.3 | -177.4 | 163.5 | 0 | 0 | 108.3 | |||||
| 2 | A | 51.7 | Low | 43.9 | Very low | 107 Ų | 107 | 173.8 Ų | 173.8 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | 34.5 | 96 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | L | 41.8 | Very low | 44.3 | Very low | 165 Ų | 165 | 168.8 Ų | 168.8 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -102.7 | 139.6 | 160.4 | -91.4 | 161.5 | 0 | 0 | 0 | 109.7 | ||||
| 4 | H | 47.1 | Very low | 45.1 | Very low | 172 Ų | 172 | 162.9 Ų | 162.9 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | -54.2 | 134.9 | 171.3 | -67.1 | -91.1 | 0 | 0 | 0 | 112.1 | ||||
| 5 | V | 50.3 | Low | 45.6 | Very low | 129 Ų | 129 | 165.7 Ų | 165.7 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -114.5 | 105.8 | 169.7 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | H7 | V5-H7 PolarHBondContact O-N 3.03Š| ||
| 6 | W | 37.5 | Very low | 45.9 | Very low | 223 Ų | 223 | 162.8 Ų | 162.8 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -71 | 115.4 | 172.4 | -77.6 | 71.5 | 0 | 0 | 0 | 109.4 | ||||
| 7 | H | 44.4 | Very low | 46.4 | Very low | 155 Ų | 155 | 156.1 Ų | 156.1 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | -89.1 | 102.7 | 157.7 | -107.9 | -83.9 | 0 | 0 | 0 | 108.4 | V5 F9 | V5-H7 PolarHBondContact O-N 3.03Å; H7-F9 AromaticContact ND1-CD2 3.47Å; H7-F9 WeakPolarHBondContact ND1-CD2 3.16Å; H7-F9 AromaticContact ND1-CE2 3.72Å; H7-F9 PolarHBondContact O-N 3.05Å | ||
| 8 | L | 46.5 | Very low | 46.7 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | -57.5 | 90.6 | 151.8 | -97.4 | 92.4 | 0 | 0 | 0 | 108 | ||||
| 9 | F | 43.2 | Very low | 47.1 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -131.4 | 75.1 | 154 | -94 | -89.3 | 0 | 0 | 0 | 106.7 | H7 | H7-F9 AromaticContact ND1-CD2 3.47Å; H7-F9 WeakPolarHBondContact ND1-CD2 3.16Å; H7-F9 AromaticContact ND1-CE2 3.72Å; H7-F9 PolarHBondContact O-N 3.05Å | ||
| 10 | L | 42.7 | Very low | 47.6 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | 82.7 | 72.6 | 95.6 | -80.6 | 153.6 | 0 | 0 | 0 | 110 | W12 | L10-W12 PolarHBondContact O-N 2.85Š| |||
| 11 | W | 44.2 | Very low | 48 | Very low | 248 Ų | 248 | 146.9 Ų | 146.9 | 94% | 0.939 | 71% | 0.706 | S | S | * | * | trans | -67 | 59.1 | 169.9 | -169.3 | 53.1 | 0 | 0 | 0 | 112.3 | ||||
| 12 | W | 40.3 | Very low | 48.9 | Very low | 205 Ų | 205 | 143.1 Ų | 143.1 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | trans | -142.6 | 83.1 | 163.4 | -85.3 | -20.8 | 0 | 0 | 0 | 110.1 | L10 D14 | L10-W12 PolarHBondContact O-N 2.85Å; W12-D14 PolarHBondContact O-N 3.43Å | ||
| 13 | D | 48.9 | Very low | 49.3 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 58% | 0.583 | 68% | 0.675 | S | S | * | * | trans | -71.1 | 84 | 152.7 | -169.1 | -5.5 | 0 | 0 | 0 | 107.7 | R15 L16 | D13-R15 PolarHBondContact O-N 2.73Å; D13-R15 PolarHBondContact OD1-N 2.76Å; D13-L16 PolarHBondContact O-N 2.85Å | ||
| 14 | D | 55.4 | Low | 50.4 | Low | 85 Ų | 85 | 147.5 Ų | 147.5 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -58 | -13.2 | -179.3 | -84.8 | -29.7 | 0 | 0 | 0 | 113.4 | W12 S17 L18 | W12-D14 PolarHBondContact O-N 3.43Å; D14-S17 WeakPolarHBondContact CA-OG 3.5Å; D14-S17 PolarHBondContact O-N 3.22Å; D14-S17 PolarHBondContact O-OG 2.88Å; D14-L18 WeakPolarHBondContact O-CB 3.33Å; D14-L18 WeakPolarHBondContact O-CD1 3.27Å; D14-L18 PolarHBondContact O-N 2.81Å |
| 15 | R | 53.1 | Low | 51.2 | Low | 205 Ų | 205 | 146.8 Ų | 146.8 | 77% | 0.774 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.1 | -32.1 | 179.4 | -63.2 | -176.6 | 175.4 | -163.9 | -0.1 | 112.3 | D13 R19 | D13-R15 PolarHBondContact O-N 2.73Å; D13-R15 PolarHBondContact OD1-N 2.76Å; R15-R19 PolarHBondContact O-N 2.83Å |
| 16 | L | 50.3 | Low | 52.1 | Low | 119 Ų | 119 | 144 Ų | 144 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.4 | -34.7 | 170.6 | -71 | 176.7 | 0 | 0 | 0 | 111.1 | D13 L18 R19 S20 | D13-L16 PolarHBondContact O-N 2.85Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-R19 PolarHBondContact O-N 2.8Å; L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 3.15Å; L16-S20 PolarHBondContact O-OG 3.47Å |
| 17 | S | 54.2 | Low | 53.8 | Low | 50 Ų | 50 | 138.8 Ų | 138.8 | 35% | 0.35 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.8 | -39.5 | 172.5 | 90.3 | 0 | 0 | 0 | 0 | 111 | D14 S20 L21 | D14-S17 WeakPolarHBondContact CA-OG 3.5Å; D14-S17 PolarHBondContact O-N 3.22Å; D14-S17 PolarHBondContact O-OG 2.88Å; S17-S20 WeakPolarHBondContact CA-OG 3.31Å; S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact O-OG 3.34Å; S17-L21 WeakPolarHBondContact O-CA 3.38Å; S17-L21 WeakPolarHBondContact O-CB 3.45Å; S17-L21 PolarHBondContact O-N 3.38Å |
| 18 | L | 51.7 | Low | 55.2 | Low | 110 Ų | 110 | 135.3 Ų | 135.3 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64 | -41.1 | 174.4 | -92.3 | 149.1 | 0 | 0 | 0 | 113 | D14 L16 K22 | D14-L18 WeakPolarHBondContact O-CB 3.33Å; D14-L18 WeakPolarHBondContact O-CD1 3.27Å; D14-L18 PolarHBondContact O-N 2.81Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L18-K22 WeakPolarHBondContact O-CB 3.22Å; L18-K22 PolarHBondContact O-N 2.76Å |
| 19 | R | 53.8 | Low | 56.6 | Low | 184 Ų | 184 | 134 Ų | 134 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -38.2 | 175 | -97.2 | -173.2 | 179.5 | -174.9 | 1.1 | 112.3 | R15 L16 R23 | R15-R19 PolarHBondContact O-N 2.83Å; L16-R19 PolarHBondContact O-N 2.8Å; R19-R23 PolarHBondContact O-N 2.87Å; R19-R23 VanDerWaalsContact O-N 3.08Å |
| 20 | S | 57.2 | Low | 58.2 | Low | 61 Ų | 61 | 129.4 Ų | 129.4 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.6 | -38.8 | 177.7 | 67.4 | 0 | 0 | 0 | 0 | 111.6 | L16 S17 R23 R24 | L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 3.15Å; L16-S20 PolarHBondContact O-OG 3.47Å; S17-S20 WeakPolarHBondContact CA-OG 3.31Å; S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact O-OG 3.34Å; S20-R23 PolarHBondContact O-N 2.94Å; S20-R24 WeakPolarHBondContact O-CB 3.44Å; S20-R24 WeakPolarHBondContact O-CG 3.35Å; S20-R24 PolarHBondContact O-N 3.25Å |
| 21 | L | 56 | Low | 59.9 | Low | 75 Ų | 75 | 127.2 Ų | 127.2 | 39% | 0.393 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.4 | -44.5 | 172.8 | -168.8 | 75 | 0 | 0 | 0 | 110.6 | S17 R23 R24 W25 | S17-L21 WeakPolarHBondContact O-CA 3.38Å; S17-L21 WeakPolarHBondContact O-CB 3.45Å; S17-L21 PolarHBondContact O-N 3.38Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.28Å; L21-R24 WeakPolarHBondContact O-CB 3.31Å; L21-R24 PolarHBondContact O-N 3.18Å; L21-R24 VanDerWaalsContact O-N 3.17Å; L21-W25 HydrophobicContact CD2-CZ2 3.97Å; L21-W25 HydrophobicContact CG-CZ2 4.32Å; L21-W25 WeakPolarHBondContact O-CB 2.98Å; L21-W25 VanDerWaalsContact O-CD1 3.31Å; L21-W25 PolarHBondContact O-N 2.96Å |
| 22 | K | 57.4 | Low | 61.5 | Low | 166 Ų | 166 | 119.4 Ų | 119.4 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.2 | -40.5 | 175 | -169.3 | 174.3 | -175.1 | 177.7 | 0 | 111.8 | L18 S26 | L18-K22 WeakPolarHBondContact O-CB 3.22Å; L18-K22 PolarHBondContact O-N 2.76Å; K22-S26 PolarHBondContact O-N 3.01Å; K22-S26 PolarHBondContact O-OG 3.1Å |
| 23 | R | 58.7 | Low | 63.3 | Low | 186 Ų | 186 | 112.4 Ų | 112.4 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 172.8 | -83.3 | -165.4 | -121 | 166.8 | -1.3 | 112.4 | R19 S20 L21 S26 H27 | R19-R23 PolarHBondContact O-N 2.87Å; R19-R23 VanDerWaalsContact O-N 3.08Å; S20-R23 PolarHBondContact O-N 2.94Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.28Å; R23-S26 WeakPolarHBondContact CA-OG 3.49Å; R23-S26 PolarHBondContact O-N 2.77Å; R23-S26 PolarHBondContact O-OG 3.19Å; R23-H27 PolarHBondContact O-N 2.84Å |
| 24 | R | 65.9 | Low | 64.7 | Low | 177 Ų | 177 | 112 Ų | 112 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.3 | -50.8 | 175.4 | -81.6 | -175.1 | 169.5 | -160.8 | -3 | 110.9 | S20 L21 S26 H27 D28 | S20-R24 WeakPolarHBondContact O-CB 3.44Å; S20-R24 WeakPolarHBondContact O-CG 3.35Å; S20-R24 PolarHBondContact O-N 3.25Å; L21-R24 WeakPolarHBondContact O-CB 3.31Å; L21-R24 PolarHBondContact O-N 3.18Å; L21-R24 VanDerWaalsContact O-N 3.17Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 2.95Å; R24-H27 CarbonylContact O-C 3.6Å; R24-H27 WeakPolarHBondContact O-CA 3.48Å; R24-H27 WeakPolarHBondContact O-CB 3.35Å; R24-H27 PolarHBondContact O-N 2.92Å; R24-D28 VanDerWaalsContact O-CG 3.23Å; R24-D28 PolarHBondContact O-N 2.95Å |
| 25 | W | 63.7 | Low | 65.7 | Low | 157 Ų | 157 | 114.1 Ų | 114.1 | 60% | 0.595 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61 | -40.8 | 178.5 | -70.2 | 11.7 | 0 | 0 | 0 | 112.2 | L21 H27 D28 L29 | L21-W25 HydrophobicContact CD2-CZ2 3.97Å; L21-W25 HydrophobicContact CG-CZ2 4.32Å; L21-W25 WeakPolarHBondContact O-CB 2.98Å; L21-W25 VanDerWaalsContact O-CD1 3.31Å; L21-W25 PolarHBondContact O-N 2.96Å; W25-H27 VanDerWaalsContact C-N 3.27Å; W25-H27 PolarHBondContact O-N 3.24Å; W25-D28 PolarHBondContact O-N 3.13Å; W25-L29 VanDerWaalsContact O-CB 3.29Å; W25-L29 WeakPolarHBondContact O-CB 3.28Å; W25-L29 WeakPolarHBondContact O-CG 3.35Å; W25-L29 PolarHBondContact O-N 3.41Å |
| 26 | S | 69.6 | Low | 66.8 | Low | 71 Ų | 71 | 108.7 Ų | 108.7 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 175.1 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | K22 R23 R24 C30 | K22-S26 PolarHBondContact O-N 3.01Å; K22-S26 PolarHBondContact O-OG 3.1Å; R23-S26 WeakPolarHBondContact CA-OG 3.49Å; R23-S26 PolarHBondContact O-N 2.77Å; R23-S26 PolarHBondContact O-OG 3.19Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 2.95Å; S26-C30 VanDerWaalsContact O-CB 3.28Å; S26-C30 WeakPolarHBondContact O-CB 3.32Å; S26-C30 PolarHBondContact O-N 3.04Å; S26-C30 VanDerWaalsContact O-N 3.13Å |
| 27 | H | 72.4 | Confident | 68 | Low | 114 Ų | 114 | 109.2 Ų | 109.2 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.5 | -45.2 | 176.2 | -165.2 | 60.5 | 0 | 0 | 0 | 111.3 | R23 R24 W25 L29 C30 L31 | R23-H27 PolarHBondContact O-N 2.84Å; R24-H27 CarbonylContact O-C 3.6Å; R24-H27 WeakPolarHBondContact O-CA 3.48Å; R24-H27 WeakPolarHBondContact O-CB 3.35Å; R24-H27 PolarHBondContact O-N 2.92Å; W25-H27 VanDerWaalsContact C-N 3.27Å; W25-H27 PolarHBondContact O-N 3.24Å; H27-L29 PolarHBondContact O-N 2.7Å; H27-C30 WeakPolarHBondContact O-CB 3.29Å; H27-C30 PolarHBondContact O-N 2.69Å; H27-C30 VanDerWaalsContact O-N 3.15Å; H27-L31 WeakPolarHBondContact O-CG 3.38Å; H27-L31 PolarHBondContact O-N 2.88Å |
| 28 | D | 73.2 | Confident | 69 | Low | 81 Ų | 81 | 112 Ų | 112 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178 | -61.3 | -23.4 | 0 | 0 | 0 | 111.1 | R24 W25 C30 L31 I32 | R24-D28 VanDerWaalsContact O-CG 3.23Å; R24-D28 PolarHBondContact O-N 2.95Å; W25-D28 PolarHBondContact O-N 3.13Å; D28-C30 VanDerWaalsContact C-N 3.32Å; D28-C30 PolarHBondContact O-N 2.85Å; D28-L31 PolarHBondContact O-N 3.32Å; D28-I32 VanDerWaalsContact O-CG1 3.24Å; D28-I32 WeakPolarHBondContact O-CG1 3.24Å; D28-I32 PolarHBondContact O-N 2.73Å |
| 29 | L | 76.5 | Confident | 69.8 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 60% | 0.602 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -35.5 | 174.8 | -71.1 | 172.4 | 0 | 0 | 0 | 112.3 | W25 H27 I32 A33 | W25-L29 VanDerWaalsContact O-CB 3.29Å; W25-L29 WeakPolarHBondContact O-CB 3.28Å; W25-L29 WeakPolarHBondContact O-CG 3.35Å; W25-L29 PolarHBondContact O-N 3.41Å; H27-L29 PolarHBondContact O-N 2.7Å; L29-I32 PolarHBondContact O-N 2.79Å; L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.2Å; L29-A33 PolarHBondContact O-N 3.43Å |
| 30 | C | 77.9 | Confident | 70.6 | Confident | 69 Ų | 69 | 108 Ų | 108 | 47% | 0.466 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -42 | 175 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | S26 H27 D28 A33 L34 | S26-C30 VanDerWaalsContact O-CB 3.28Å; S26-C30 WeakPolarHBondContact O-CB 3.32Å; S26-C30 PolarHBondContact O-N 3.04Å; S26-C30 VanDerWaalsContact O-N 3.13Å; H27-C30 WeakPolarHBondContact O-CB 3.29Å; H27-C30 PolarHBondContact O-N 2.69Å; H27-C30 VanDerWaalsContact O-N 3.15Å; D28-C30 VanDerWaalsContact C-N 3.32Å; D28-C30 PolarHBondContact O-N 2.85Å; C30-A33 PolarHBondContact O-N 2.8Å; C30-L34 WeakPolarHBondContact O-CB 3.05Å; C30-L34 PolarHBondContact O-N 3.24Å |
| 31 | L | 77 | Confident | 71.1 | Confident | 85 Ų | 85 | 114.1 Ų | 114.1 | 45% | 0.445 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 175 | -68.8 | 174.7 | 0 | 0 | 0 | 112.1 | H27 D28 L34 Q35 | H27-L31 WeakPolarHBondContact O-CG 3.38Å; H27-L31 PolarHBondContact O-N 2.88Å; D28-L31 PolarHBondContact O-N 3.32Å; L31-L34 PolarHBondContact O-N 3.12Å; L31-Q35 PolarHBondContact O-N 3.45Å |
| 32 | I | 78.7 | Confident | 71.5 | Confident | 83 Ų | 83 | 113.6 Ų | 113.6 | 43% | 0.426 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -43.3 | 174.6 | -67.7 | 163.6 | 0 | 0 | 0 | 110.5 | D28 L29 L34 Q35 I36 | D28-I32 VanDerWaalsContact O-CG1 3.24Å; D28-I32 WeakPolarHBondContact O-CG1 3.24Å; D28-I32 PolarHBondContact O-N 2.73Å; L29-I32 PolarHBondContact O-N 2.79Å; I32-L34 PolarHBondContact O-N 3.44Å; I32-Q35 PolarHBondContact O-N 2.89Å; I32-I36 HydrophobicContact CG2-CD1 3.78Å; I32-I36 HydrophobicContact CG2-CG1 4.4Å; I32-I36 VanDerWaalsContact O-CG1 3.29Å; I32-I36 WeakPolarHBondContact O-CG1 3.47Å; I32-I36 PolarHBondContact O-N 3.41Å |
| 33 | A | 77.8 | Confident | 71.7 | Confident | 58 Ų | 58 | 110.1 Ų | 110.1 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L29 C30 I36 E37 | L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.2Å; L29-A33 PolarHBondContact O-N 3.43Å; C30-A33 PolarHBondContact O-N 2.8Å; A33-I36 PolarHBondContact O-N 2.79Å; A33-E37 WeakPolarHBondContact O-CB 3.47Å; A33-E37 PolarHBondContact O-N 2.86Å |
| 34 | L | 78.1 | Confident | 71.7 | Confident | 101 Ų | 101 | 109.4 Ų | 109.4 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.1 | -42.2 | 172.7 | -97.7 | 145.5 | 0 | 0 | 0 | 112.2 | C30 L31 I32 E37 D38 | C30-L34 WeakPolarHBondContact O-CB 3.05Å; C30-L34 PolarHBondContact O-N 3.24Å; L31-L34 PolarHBondContact O-N 3.12Å; I32-L34 PolarHBondContact O-N 3.44Å; L34-E37 PolarHBondContact O-N 3.4Å; L34-D38 WeakPolarHBondContact O-CB 3.42Å; L34-D38 PolarHBondContact O-N 3.49Å |
| 35 | Q | 76 | Confident | 70.9 | Confident | 130 Ų | 130 | 104.4 Ų | 104.4 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 175.1 | -83.1 | -175.1 | -24.8 | 0 | 0 | 112.2 | L31 I32 D38 M39 | L31-Q35 PolarHBondContact O-N 3.45Å; I32-Q35 PolarHBondContact O-N 2.89Å; Q35-D38 PolarHBondContact O-N 3.5Å; Q35-M39 WeakPolarHBondContact O-CB 3.28Å; Q35-M39 VanDerWaalsContact O-CG 3.22Å; Q35-M39 WeakPolarHBondContact O-CG 3.42Å; Q35-M39 PolarHBondContact O-N 2.84Å |
| 36 | I | 76.5 | Confident | 70.3 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 177 | -66.8 | 165.9 | 0 | 0 | 0 | 110.3 | I32 A33 M39 N40 | I32-I36 HydrophobicContact CG2-CD1 3.78Å; I32-I36 HydrophobicContact CG2-CG1 4.4Å; I32-I36 VanDerWaalsContact O-CG1 3.29Å; I32-I36 WeakPolarHBondContact O-CG1 3.47Å; I32-I36 PolarHBondContact O-N 3.41Å; A33-I36 PolarHBondContact O-N 2.79Å; I36-M39 PolarHBondContact O-N 3.21Å; I36-N40 VanDerWaalsContact O-CB 3.28Å; I36-N40 WeakPolarHBondContact O-CB 3.29Å; I36-N40 PolarHBondContact O-N 3.23Å; I36-N40 PolarHBondContact O-ND2 2.88Å |
| 37 | E | 75.1 | Confident | 69.6 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.6 | -42 | 175.5 | -168.9 | 177.3 | 177.5 | 0 | 0 | 111.7 | A33 L34 N40 R41 | A33-E37 WeakPolarHBondContact O-CB 3.47Å; A33-E37 PolarHBondContact O-N 2.86Å; L34-E37 PolarHBondContact O-N 3.4Å; E37-N40 PolarHBondContact O-N 2.9Å; E37-R41 VanDerWaalsContact O-CB 3.28Å; E37-R41 WeakPolarHBondContact O-CB 3.42Å; E37-R41 PolarHBondContact O-N 2.99Å |
| 38 | D | 75.1 | Confident | 68.3 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.4 | -42.6 | 177 | -164.1 | 43.1 | 0 | 0 | 0 | 112 | L34 Q35 N40 R41 A42 | L34-D38 WeakPolarHBondContact O-CB 3.42Å; L34-D38 PolarHBondContact O-N 3.49Å; Q35-D38 PolarHBondContact O-N 3.5Å; D38-N40 PolarHBondContact O-N 3.49Å; D38-R41 PolarHBondContact O-N 2.93Å; D38-A42 WeakPolarHBondContact O-CB 3.4Å; D38-A42 PolarHBondContact O-N 2.85Å |
| 39 | M | 69.8 | Low | 67.1 | Low | 128 Ų | 128 | 104.8 Ų | 104.8 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.5 | -43.4 | 172.7 | -75 | 177 | 68.5 | 0 | 0 | 111.9 | Q35 I36 R41 A42 S43 | Q35-M39 WeakPolarHBondContact O-CB 3.28Å; Q35-M39 VanDerWaalsContact O-CG 3.22Å; Q35-M39 WeakPolarHBondContact O-CG 3.42Å; Q35-M39 PolarHBondContact O-N 2.84Å; I36-M39 PolarHBondContact O-N 3.21Å; M39-R41 VanDerWaalsContact C-N 3.35Å; M39-A42 PolarHBondContact O-N 2.89Å; M39-S43 WeakPolarHBondContact O-CB 3.28Å; M39-S43 PolarHBondContact O-N 3.32Å; M39-S43 PolarHBondContact O-OG 3.38Å |
| 40 | N | 69.9 | Low | 65.7 | Low | 80 Ų | 80 | 103.6 Ų | 103.6 | 43% | 0.428 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.3 | -44.6 | 175.2 | -75.9 | -24.9 | 0 | 0 | 0 | 110.1 | I36 E37 D38 A42 S43 F44 | I36-N40 VanDerWaalsContact O-CB 3.28Å; I36-N40 WeakPolarHBondContact O-CB 3.29Å; I36-N40 PolarHBondContact O-N 3.23Å; I36-N40 PolarHBondContact O-ND2 2.88Å; E37-N40 PolarHBondContact O-N 2.9Å; D38-N40 PolarHBondContact O-N 3.49Å; N40-A42 VanDerWaalsContact C-N 3.34Å; N40-A42 PolarHBondContact O-N 2.88Å; N40-S43 CarbonylContact O-C 3.55Å; N40-S43 WeakPolarHBondContact O-CB 3.29Å; N40-S43 PolarHBondContact O-N 3.5Å; N40-S43 VanDerWaalsContact O-N 3.12Å; N40-F44 HydrophobicContact CB-CD2 4.19Å; N40-F44 HydrophobicContact CB-CE2 4.19Å; N40-F44 WeakPolarHBondContact O-CB 3.4Å; N40-F44 WeakPolarHBondContact O-CD2 3.47Å; N40-F44 WeakPolarHBondContact O-CG 3.42Å; N40-F44 PolarHBondContact O-N 3.38Å |
| 41 | R | 67.6 | Low | 63.9 | Low | 191 Ų | 191 | 109.4 Ų | 109.4 | 72% | 0.721 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.5 | -37.4 | 178.2 | -167.1 | 176.4 | -179.1 | -162.1 | -0.3 | 112.3 | E37 D38 M39 S43 F44 S45 | E37-R41 VanDerWaalsContact O-CB 3.28Å; E37-R41 WeakPolarHBondContact O-CB 3.42Å; E37-R41 PolarHBondContact O-N 2.99Å; D38-R41 PolarHBondContact O-N 2.93Å; M39-R41 VanDerWaalsContact C-N 3.35Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-F44 CarbonylContact O-C 3.58Å; R41-F44 PolarHBondContact O-N 2.87Å; R41-S45 WeakPolarHBondContact O-CB 3.49Å; R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.43Å |
| 42 | A | 65.8 | Low | 62.2 | Low | 64 Ų | 64 | 114.5 Ų | 114.5 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.3 | -34.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D38 M39 N40 S45 | D38-A42 WeakPolarHBondContact O-CB 3.4Å; D38-A42 PolarHBondContact O-N 2.85Å; M39-A42 PolarHBondContact O-N 2.89Å; N40-A42 VanDerWaalsContact C-N 3.34Å; N40-A42 PolarHBondContact O-N 2.88Å; A42-S45 WeakPolarHBondContact CA-OG 3.37Å; A42-S45 PolarHBondContact O-OG 2.87Å |
| 43 | S | 61.4 | Low | 60.3 | Low | 93 Ų | 93 | 121.4 Ų | 121.4 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.1 | -31.8 | 176.2 | -55 | 0 | 0 | 0 | 0 | 112.4 | M39 N40 R41 | M39-S43 WeakPolarHBondContact O-CB 3.28Å; M39-S43 PolarHBondContact O-N 3.32Å; M39-S43 PolarHBondContact O-OG 3.38Å; N40-S43 CarbonylContact O-C 3.55Å; N40-S43 WeakPolarHBondContact O-CB 3.29Å; N40-S43 PolarHBondContact O-N 3.5Å; N40-S43 VanDerWaalsContact O-N 3.12Å; R41-S43 VanDerWaalsContact C-N 3.33Å |
| 44 | F | 58.2 | Low | 58.7 | Low | 170 Ų | 170 | 123 Ų | 123 | 75% | 0.746 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -94.2 | -12.6 | 177.9 | -69.3 | -62.6 | 0 | 0 | 0 | 113.8 | N40 R41 S46 | N40-F44 HydrophobicContact CB-CD2 4.19Å; N40-F44 HydrophobicContact CB-CE2 4.19Å; N40-F44 WeakPolarHBondContact O-CB 3.4Å; N40-F44 WeakPolarHBondContact O-CD2 3.47Å; N40-F44 WeakPolarHBondContact O-CG 3.42Å; N40-F44 PolarHBondContact O-N 3.38Å; R41-F44 CarbonylContact O-C 3.58Å; R41-F44 PolarHBondContact O-N 2.87Å; F44-S46 PolarHBondContact O-N 3.34Å |
| 45 | S | 47.8 | Very low | 56.8 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 51% | 0.51 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -67.2 | 95.9 | 163 | 59.5 | 0 | 0 | 0 | 0 | 106.2 | R41 A42 | R41-S45 WeakPolarHBondContact O-CB 3.49Å; R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.43Å; A42-S45 WeakPolarHBondContact CA-OG 3.37Å; A42-S45 PolarHBondContact O-OG 2.87Å |
| 46 | S | 52.9 | Low | 55.1 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | trans | -38.6 | 128.2 | 169.1 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | F44 A48 | F44-S46 PolarHBondContact O-N 3.34Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.9Å | ||
| 47 | P | 53.3 | Low | 53.4 | Low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -58.9 | 97.9 | -179.1 | 23.8 | -32.5 | 0 | 0 | 0 | 107.6 | S49 | P47-S49 VanDerWaalsContact C-N 3.34Å; P47-S49 PolarHBondContact O-N 3.28Å | ||
| 48 | A | 45.3 | Very low | 51.9 | Low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | -64 | 109.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 103.4 | S46 A50 | S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.9Å; A48-A50 PolarHBondContact O-N 3.15Å | ||
| 49 | S | 48.4 | Very low | 50.4 | Low | 121 Ų | 121 | 123.3 Ų | 123.3 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -38.8 | 106.9 | -178 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | P47 | P47-S49 VanDerWaalsContact C-N 3.34Å; P47-S49 PolarHBondContact O-N 3.28Å | ||
| 50 | A | 46.2 | Very low | 49.4 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -134.1 | 87.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | A48 | A48-A50 PolarHBondContact O-N 3.15Š| ||
| 51 | E | 40.3 | Very low | 48.3 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | 8.2 | 122.6 | 153.1 | -149 | 165.5 | -178.2 | 0 | 0 | 117.1 | R53 | E51-R53 PolarHBondContact O-N 3.13Š| ||
| 52 | E | 42.3 | Very low | 47.8 | Very low | 192 Ų | 192 | 116.9 Ų | 116.9 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | trans | -45.9 | 91.6 | 175.9 | -167.6 | 175.6 | -157.2 | 0 | 0 | 112.7 | A54 | E52-A54 PolarHBondContact O-N 2.88Š| ||
| 53 | R | 38.8 | Very low | 47.1 | Very low | 229 Ų | 229 | 122.3 Ų | 122.3 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -82.7 | 98.2 | 163.7 | -148.3 | -178.6 | -156.9 | 174.4 | 6.4 | 107.7 | E51 T55 | E51-R53 PolarHBondContact O-N 3.13Å; R53-T55 PolarHBondContact O-N 3.44Å | ||
| 54 | A | 43.3 | Very low | 47 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | trans | -53.8 | 94.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E52 | E52-A54 PolarHBondContact O-N 2.88Š| ||
| 55 | T | 39.6 | Very low | 47.1 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -86.5 | 118.6 | 159 | 34.5 | 0 | 0 | 0 | 0 | 107.9 | R53 | R53-T55 PolarHBondContact O-N 3.44Š| ||
| 56 | P | 38.8 | Very low | 47.7 | Very low | 119 Ų | 119 | 116.6 Ų | 116.6 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -77.8 | 143.4 | -178.7 | 30.6 | -31.2 | 0 | 0 | 0 | 111.1 | ||||
| 57 | S | 41.1 | Very low | 47.6 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | 72.2 | 77.8 | 156.7 | -147.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 58 | A | 43.1 | Very low | 47.8 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -146.9 | 131.5 | 134.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | T60 | A58-T60 PolarHBondContact O-N 3.42Å; A58-T60 PolarHBondContact O-OG1 3.4Å |
| 59 | S | 44.4 | Very low | 49 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -47 | 95.4 | -179.3 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | G61 | S59-G61 PolarHBondContact O-N 3.47Š| ||
| 60 | T | 48.8 | Very low | 50 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | trans | -90 | 83.9 | 178.7 | -56.7 | 0 | 0 | 0 | 0 | 106.1 | A58 V62 | A58-T60 PolarHBondContact O-N 3.42Å; A58-T60 PolarHBondContact O-OG1 3.4Å; T60-V62 PolarHBondContact O-N 2.83Å | ||
| 61 | G | 46.1 | Very low | 50.9 | Low | 34 Ų | 34 | 129.4 Ų | 129.4 | 35% | 0.351 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 124.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | S59 W63 D77 | S59-G61 PolarHBondContact O-N 3.47Å; G61-W63 PolarHBondContact O-N 2.99Å; G61-D77 WeakPolarHBondContact CA-O 3.49Å |
| 62 | V | 57.2 | Low | 52.1 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 62% | 0.624 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 118.1 | 171.7 | 180 | 0 | 0 | 0 | 0 | 107.1 | T60 | T60-V62 PolarHBondContact O-N 2.83Š|
| 63 | W | 52 | Low | 53.3 | Low | 178 Ų | 178 | 124.6 Ų | 124.6 | 67% | 0.674 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.9 | 173.7 | -175 | 31.9 | 0 | 0 | 0 | 109.4 | G61 V65 S74 | G61-W63 PolarHBondContact O-N 2.99Å; W63-V65 HydrophobicContact CD2-CG2 3.93Å; W63-V65 HydrophobicContact CG-CG2 4.45Å; W63-V65 HydrophobicContact CH2-CG2 4.05Å; W63-V65 HydrophobicContact CZ2-CG2 3.32Å; W63-S74 PolarHBondContact NE1-OG 3.42Å; W63-S74 VanDerWaalsContact NE1-OG 3.13Å |
| 64 | S | 60 | Low | 54.7 | Low | 57 Ų | 57 | 116.8 Ų | 116.8 | 40% | 0.399 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.1 | 167.6 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | S74 T75 | S64-S74 WeakPolarHBondContact O-CA 3.5Å; S64-T75 PolarHBondContact N-O 3.3Å; S64-T75 PolarHBondContact O-N 3.08Å; S64-T75 VanDerWaalsContact O-N 3.15Å |
| 65 | V | 59 | Low | 56.2 | Low | 71 Ų | 71 | 115.8 Ų | 115.8 | 43% | 0.43 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 111.6 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | W63 | W63-V65 HydrophobicContact CD2-CG2 3.93Å; W63-V65 HydrophobicContact CG-CG2 4.45Å; W63-V65 HydrophobicContact CH2-CG2 4.05Å; W63-V65 HydrophobicContact CZ2-CG2 3.32Å |
| 66 | I | 61.2 | Low | 57.9 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 45% | 0.451 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 117 | 168.2 | -57.3 | 175.9 | 0 | 0 | 0 | 106.7 | Q73 | I66-Q73 PolarHBondContact N-O 3Å; I66-Q73 PolarHBondContact O-N 3.01Å |
| 67 | K | 50.9 | Low | 59.6 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 92 | 178.5 | -173.1 | -177.9 | -179 | -173.3 | 0 | 108.8 | F72 | K67-F72 HydrophobicContact CD-CE1 4.45Å; K67-F72 HydrophobicContact CG-CD1 4.46Å; K67-F72 HydrophobicContact CG-CE1 3.92Å |
| 68 | D | 57.5 | Low | 61 | Low | 104 Ų | 104 | 110.8 Ų | 110.8 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 144.3 | 160.9 | -76.6 | -22.9 | 0 | 0 | 0 | 108.6 | K70 K71 | D68-K70 PolarHBondContact O-N 3.38Å; D68-K71 PolarHBondContact N-O 2.8Å; D68-K71 CarbonylContact O-C 3.46Å; D68-K71 PolarHBondContact O-N 3.34Å; D68-K71 VanDerWaalsContact O-O 3.06Å |
| 69 | D | 71 | Confident | 62.5 | Low | 168 Ų | 168 | 113.5 Ų | 113.5 | 90% | 0.898 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -14.6 | -172.6 | -69.5 | -32.2 | 0 | 0 | 0 | 115.4 | ||
| 70 | K | 69.6 | Low | 63.7 | Low | 200 Ų | 200 | 111.1 Ų | 111.1 | 87% | 0.87 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | -4.7 | 179.2 | -64.5 | -175.6 | -180 | 179.7 | 0 | 114.7 | D68 | D68-K70 PolarHBondContact O-N 3.38Š|
| 71 | K | 63.9 | Low | 64.8 | Low | 158 Ų | 158 | 113.7 Ų | 113.7 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -147.4 | 122.1 | -174 | -65.3 | -173.8 | -179.9 | -179 | 0 | 110.2 | D68 | D68-K71 PolarHBondContact N-O 2.8Å; D68-K71 CarbonylContact O-C 3.46Å; D68-K71 PolarHBondContact O-N 3.34Å; D68-K71 VanDerWaalsContact O-O 3.06Å |
| 72 | F | 65.7 | Low | 65.9 | Low | 157 Ų | 157 | 116 Ų | 116 | 69% | 0.689 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.7 | 165.2 | -64 | -84 | 0 | 0 | 0 | 107.4 | K67 | K67-F72 HydrophobicContact CD-CE1 4.45Å; K67-F72 HydrophobicContact CG-CD1 4.46Å; K67-F72 HydrophobicContact CG-CE1 3.92Å |
| 73 | Q | 68.2 | Low | 66.6 | Low | 124 Ų | 124 | 113 Ų | 113 | 58% | 0.579 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.6 | 168.1 | -172.6 | 172.4 | -1.3 | 0 | 0 | 107.6 | I66 | I66-Q73 PolarHBondContact N-O 3Å; I66-Q73 PolarHBondContact O-N 3.01Å |
| 74 | S | 67.2 | Low | 67.8 | Low | 66 Ų | 66 | 109.2 Ų | 109.2 | 46% | 0.462 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.5 | 171.1 | -74 | 0 | 0 | 0 | 0 | 108.4 | W63 S64 | W63-S74 PolarHBondContact NE1-OG 3.42Å; W63-S74 VanDerWaalsContact NE1-OG 3.13Å; S64-S74 WeakPolarHBondContact O-CA 3.5Å |
| 75 | T | 74.7 | Confident | 68.7 | Low | 69 Ų | 69 | 110 Ų | 110 | 42% | 0.423 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.7 | 172.1 | -54.7 | 0 | 0 | 0 | 0 | 107.6 | S64 | S64-T75 PolarHBondContact N-O 3.3Å; S64-T75 PolarHBondContact O-N 3.08Å; S64-T75 VanDerWaalsContact O-N 3.15Å |
| 76 | L | 74.9 | Confident | 69.8 | Low | 88 Ų | 88 | 110.3 Ų | 110.3 | 46% | 0.461 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 114 | 172.6 | -178.1 | 73.1 | 0 | 0 | 0 | 107.6 | V78 I96 | L76-V78 HydrophobicContact CD1-CG2 4.34Å; L76-V78 HydrophobicContact CD2-CG2 3.57Å; L76-V78 HydrophobicContact CG-CG2 3.56Å; L76-I96 HydrophobicContact CD2-CD1 3.54Å |
| 77 | D | 74.8 | Confident | 70.9 | Confident | 119 Ų | 119 | 111 Ų | 111 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | trans | -94.3 | 120.7 | 173.9 | -153.7 | -7 | 0 | 0 | 0 | 109 | G61 | G61-D77 WeakPolarHBondContact CA-O 3.49Š| ||
| 78 | V | 71.2 | Confident | 72.6 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | trans | -131.5 | 116.9 | -177.1 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | L76 L80 | L76-V78 HydrophobicContact CD1-CG2 4.34Å; L76-V78 HydrophobicContact CD2-CG2 3.57Å; L76-V78 HydrophobicContact CG-CG2 3.56Å; V78-L80 HydrophobicContact CG1-CD2 3.62Å; V78-L80 HydrophobicContact CG1-CG 3.96Å | ||
| 79 | T | 73.8 | Confident | 73.9 | Confident | 137 Ų | 137 | 106.3 Ų | 106.3 | 84% | 0.84 | 58% | 0.575 | S | S | * | * | trans | -86.2 | 110 | 170 | -38.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 80 | L | 70.6 | Confident | 74.7 | Confident | 66 Ų | 66 | 104.5 Ų | 104.5 | 35% | 0.346 | 56% | 0.559 | S | S | . | * | trans | -100 | 134.1 | 176.3 | -63 | 176.2 | 0 | 0 | 0 | 110.7 | V78 A82 L85 V98 | V78-L80 HydrophobicContact CG1-CD2 3.62Å; V78-L80 HydrophobicContact CG1-CG 3.96Å; L80-A82 PolarHBondContact O-N 3.2Å; L80-L85 HydrophobicContact CD1-CB 4.04Å; L80-L85 HydrophobicContact CD1-CD1 3.53Å; L80-L85 HydrophobicContact CD1-CG 4.39Å; L80-V98 HydrophobicContact CD1-CB 4.49Å; L80-V98 HydrophobicContact CD1-CG1 3.94Å; L80-V98 HydrophobicContact CD1-CG2 3.74Å; L80-V98 HydrophobicContact CD2-CG1 4.17Å; L80-V98 HydrophobicContact CD2-CG2 3.89Å; L80-V98 HydrophobicContact CG-CG2 4.5Å | ||
| 81 | Q | 70.7 | Confident | 75.6 | Confident | 182 Ų | 182 | 100.9 Ų | 100.9 | 85% | 0.85 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -75.5 | 105.8 | 164.9 | -73.2 | -171.9 | -0.7 | 0 | 0 | 108 | H100 | Q81-H100 PolarHBondContact O-ND1 3.17Š|
| 82 | A | 69.1 | Low | 76.4 | Confident | 81 Ų | 81 | 102 Ų | 102 | 67% | 0.669 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 33.5 | 99.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L80 H100 | L80-A82 PolarHBondContact O-N 3.2Å; A82-H100 PolarHBondContact O-CE1 2.77Å; A82-H100 PolarHBondContact O-ND1 2.81Å |
| 83 | G | 72.4 | Confident | 77.2 | Confident | 40 Ų | 40 | 103.6 Ų | 103.6 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | trans | -170.9 | 165.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K99 | G83-K99 CarbonylContact C-O 3.57Å; G83-K99 WeakPolarHBondContact CA-O 3.18Å | ||
| 84 | T | 76.8 | Confident | 77.9 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.1 | 170.6 | -55.5 | 0 | 0 | 0 | 0 | 108.5 | K99 | T84-K99 PolarHBondContact N-O 2.85Å; T84-K99 PolarHBondContact O-N 2.72Å |
| 85 | L | 79.9 | Confident | 78.7 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 38% | 0.382 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.9 | 173.9 | -179.7 | 132.4 | 0 | 0 | 0 | 109.3 | L80 I87 I96 H97 V98 | L80-L85 HydrophobicContact CD1-CB 4.04Å; L80-L85 HydrophobicContact CD1-CD1 3.53Å; L80-L85 HydrophobicContact CD1-CG 4.39Å; L85-I87 HydrophobicContact CD2-CD1 3.6Å; L85-I87 HydrophobicContact CD2-CG1 3.33Å; L85-I87 HydrophobicContact CG-CG1 4.36Å; L85-I96 HydrophobicContact CD1-CG2 3.53Å; L85-I96 HydrophobicContact CG-CG2 3.98Å; L85-H97 WeakPolarHBondContact CA-O 3.47Å; L85-V98 HydrophobicContact CD1-CG2 4.34Å |
| 86 | E | 80.7 | Confident | 79 | Confident | 78 Ų | 78 | 102.7 Ų | 102.7 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.7 | 176.6 | 178.7 | 175.6 | -176.7 | 0 | 0 | 108.4 | T88 H97 K99 | E86-T88 HydrophobicContact CG-CG2 4.16Å; E86-H97 HydrophobicContact CB-CB 4.2Å; E86-H97 PolarHBondContact N-O 3.34Å; E86-H97 PolarHBondContact O-N 2.94Å; E86-K99 VanDerWaalsContact OE2-CE 3.31Å; E86-K99 WeakPolarHBondContact OE2-CE 3.46Å; E86-K99 IonicContact OE2-NZ 2.76Å; E86-K99 PolarHBondContact OE2-NZ 3.32Å |
| 87 | I | 84.8 | Confident | 79.3 | Confident | 102 Ų | 102 | 103 Ų | 103 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.9 | 177.3 | -53.1 | 178.3 | 0 | 0 | 0 | 107.7 | L85 L94 | L85-I87 HydrophobicContact CD2-CD1 3.6Å; L85-I87 HydrophobicContact CD2-CG1 3.33Å; L85-I87 HydrophobicContact CG-CG1 4.36Å; I87-L94 HydrophobicContact CG2-CD1 3.48Å; I87-L94 VanDerWaalsContact CG2-CD1 3.48Å; I87-L94 HydrophobicContact CG2-CG 4.24Å |
| 88 | T | 86.9 | Confident | 79.5 | Confident | 50 Ų | 50 | 100.8 Ų | 100.8 | 31% | 0.307 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 155.1 | 173.3 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | E86 I95 | E86-T88 HydrophobicContact CG-CG2 4.16Å; T88-I95 PolarHBondContact N-O 3.25Å; T88-I95 PolarHBondContact O-N 3.2Å |
| 89 | T | 85.2 | Confident | 79.8 | Confident | 115 Ų | 115 | 103.6 Ų | 103.6 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.2 | 174.9 | 54 | 0 | 0 | 0 | 0 | 109.1 | R93 L94 | T89-R93 WeakPolarHBondContact CA-O 3.5Å; T89-L94 HydrophobicContact CG2-CD1 3.76Å |
| 90 | K | 87.6 | Confident | 79.9 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 136 | 177.9 | -169.8 | -174 | 173.3 | -176.3 | 0 | 110.2 | D92 R93 I95 | K90-D92 VanDerWaalsContact C-N 3.3Å; K90-D92 PolarHBondContact O-N 2.87Å; K90-R93 PolarHBondContact N-O 3.22Å; K90-R93 WeakPolarHBondContact O-CA 3.44Å; K90-R93 VanDerWaalsContact O-CB 3.31Å; K90-R93 WeakPolarHBondContact O-CB 3.47Å; K90-R93 PolarHBondContact O-N 2.98Å; K90-I95 HydrophobicContact CB-CD1 4.1Å |
| 91 | D | 88.3 | Confident | 79.7 | Confident | 124 Ų | 124 | 106.5 Ų | 106.5 | 66% | 0.663 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.8 | 46.9 | 175.9 | -51.6 | -38 | 0 | 0 | 0 | 112.9 | R93 | D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 VanDerWaalsContact O-N 3.1Å |
| 92 | D | 81.2 | Confident | 79.6 | Confident | 182 Ų | 182 | 105.6 Ų | 105.6 | 97% | 0.973 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 16.2 | -175.2 | -55.9 | -38.2 | 0 | 0 | 0 | 115.3 | K90 | K90-D92 VanDerWaalsContact C-N 3.3Å; K90-D92 PolarHBondContact O-N 2.87Å |
| 93 | R | 82.9 | Confident | 79.4 | Confident | 189 Ų | 189 | 109.2 Ų | 109.2 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.2 | 175.7 | -59.9 | 174.8 | -179.3 | -163.9 | -1.6 | 110.7 | T89 K90 D91 | T89-R93 WeakPolarHBondContact CA-O 3.5Å; K90-R93 PolarHBondContact N-O 3.22Å; K90-R93 WeakPolarHBondContact O-CA 3.44Å; K90-R93 VanDerWaalsContact O-CB 3.31Å; K90-R93 WeakPolarHBondContact O-CB 3.47Å; K90-R93 PolarHBondContact O-N 2.98Å; D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 VanDerWaalsContact O-N 3.1Å |
| 94 | L | 81.9 | Confident | 78.4 | Confident | 114 Ų | 114 | 120.3 Ų | 120.3 | 60% | 0.597 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84 | 124.1 | 166.3 | -170.5 | 71.7 | 0 | 0 | 0 | 108.5 | I87 T89 I96 | I87-L94 HydrophobicContact CG2-CD1 3.48Å; I87-L94 VanDerWaalsContact CG2-CD1 3.48Å; I87-L94 HydrophobicContact CG2-CG 4.24Å; T89-L94 HydrophobicContact CG2-CD1 3.76Å; L94-I96 HydrophobicContact CD2-CD1 4.45Å; L94-I96 HydrophobicContact CG-CG1 4.49Å |
| 95 | I | 83.7 | Confident | 78.5 | Confident | 58 Ų | 58 | 121.4 Ų | 121.4 | 30% | 0.297 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.1 | 179.8 | -53.3 | 173.8 | 0 | 0 | 0 | 107.9 | T88 K90 H97 | T88-I95 PolarHBondContact N-O 3.25Å; T88-I95 PolarHBondContact O-N 3.2Å; K90-I95 HydrophobicContact CB-CD1 4.1Å; I95-H97 VanDerWaalsContact CG2-NE2 3.27Å; I95-H97 WeakPolarHBondContact CG2-NE2 3.43Å |
| 96 | I | 82.8 | Confident | 78.4 | Confident | 69 Ų | 69 | 123.9 Ų | 123.9 | 35% | 0.354 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 114.2 | 179.5 | -55.5 | 172.9 | 0 | 0 | 0 | 107.7 | L76 L85 L94 | L76-I96 HydrophobicContact CD2-CD1 3.54Å; L85-I96 HydrophobicContact CD1-CG2 3.53Å; L85-I96 HydrophobicContact CG-CG2 3.98Å; L94-I96 HydrophobicContact CD2-CD1 4.45Å; L94-I96 HydrophobicContact CG-CG1 4.49Å |
| 97 | H | 80.2 | Confident | 78.3 | Confident | 94 Ų | 94 | 126.5 Ų | 126.5 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.1 | 172.7 | -68.7 | -81.5 | 0 | 0 | 0 | 109.6 | L85 E86 I95 | L85-H97 WeakPolarHBondContact CA-O 3.47Å; E86-H97 HydrophobicContact CB-CB 4.2Å; E86-H97 PolarHBondContact N-O 3.34Å; E86-H97 PolarHBondContact O-N 2.94Å; I95-H97 VanDerWaalsContact CG2-NE2 3.27Å; I95-H97 WeakPolarHBondContact CG2-NE2 3.43Å |
| 98 | V | 78.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 127.9 Ų | 127.9 | 44% | 0.442 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.6 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | L80 L85 | L80-V98 HydrophobicContact CD1-CB 4.49Å; L80-V98 HydrophobicContact CD1-CG1 3.94Å; L80-V98 HydrophobicContact CD1-CG2 3.74Å; L80-V98 HydrophobicContact CD2-CG1 4.17Å; L80-V98 HydrophobicContact CD2-CG2 3.89Å; L80-V98 HydrophobicContact CG-CG2 4.5Å; L85-V98 HydrophobicContact CD1-CG2 4.34Å |
| 99 | K | 77.6 | Confident | 77.4 | Confident | 119 Ų | 119 | 132.8 Ų | 132.8 | 52% | 0.517 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 106.5 | 170.5 | -67.3 | 179.8 | -171.7 | 158.9 | 0 | 107.8 | G83 T84 E86 | G83-K99 CarbonylContact C-O 3.57Å; G83-K99 WeakPolarHBondContact CA-O 3.18Å; T84-K99 PolarHBondContact N-O 2.85Å; T84-K99 PolarHBondContact O-N 2.72Å; E86-K99 VanDerWaalsContact OE2-CE 3.31Å; E86-K99 WeakPolarHBondContact OE2-CE 3.46Å; E86-K99 IonicContact OE2-NZ 2.76Å; E86-K99 PolarHBondContact OE2-NZ 3.32Å |
| 100 | H | 75.3 | Confident | 76.8 | Confident | 101 Ų | 101 | 134 Ų | 134 | 47% | 0.468 | 64% | 0.639 | S | S | . | * | trans | -92.7 | 116.7 | 171 | -174.6 | 65.1 | 0 | 0 | 0 | 108.2 | Q81 A82 E102 | Q81-H100 PolarHBondContact O-ND1 3.17Å; A82-H100 PolarHBondContact O-CE1 2.77Å; A82-H100 PolarHBondContact O-ND1 2.81Å; H100-E102 PolarHBondContact O-N 3.42Å | ||
| 101 | E | 68.4 | Low | 76.1 | Confident | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | trans | -85 | 104.7 | 166.7 | -77 | -171.9 | 159.8 | 0 | 0 | 107.6 | N103 | E101-N103 PolarHBondContact O-N 3Š| ||
| 102 | E | 68.6 | Low | 75.1 | Confident | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | trans | -67.6 | 100.6 | 166.5 | -70.4 | -175.7 | 167 | 0 | 0 | 107.9 | H100 K104 | H100-E102 PolarHBondContact O-N 3.42Å; E102-K104 PolarHBondContact O-N 2.98Å | ||
| 103 | N | 63.3 | Low | 74.6 | Confident | 157 Ų | 157 | 131.1 Ų | 131.1 | 84% | 0.84 | 61% | 0.614 | S | S | * | * | trans | -66.6 | 106.3 | 163.9 | -84.7 | -31.5 | 0 | 0 | 0 | 107.6 | E101 | E101-N103 PolarHBondContact O-N 3Š| ||
| 104 | K | 52.5 | Low | 73.9 | Confident | 273 Ų | 273 | 125.8 Ų | 125.8 | 100% | 1.187 | 61% | 0.606 | S | S | * | * | trans | -71.9 | 0 | 176.8 | -158.7 | -178.4 | -173.3 | -177.7 | 0 | 112.1 | E102 | E102-K104 PolarHBondContact O-N 2.98Š|
Retrieved 104 of 104 residues in 48.3 ms
(Link to these results)