| 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 | 46.6 | Very low | 46.2 | Very low | 233 Ų | 233 | 151.5 Ų | 151.5 | 100% | 1.148 | 83% | 0.825 | S | S | * | * | 0 | 91.5 | 0 | -63.1 | -48.9 | -175.9 | 0 | 0 | 106.8 | |||||
| 2 | S | 56 | Low | 46.1 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | trans | -72.6 | 129.3 | 162.9 | 37.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | E | 57.1 | Low | 45.6 | Very low | 185 Ų | 185 | 156.5 Ų | 156.5 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -145.8 | 93.6 | 155.9 | -100.3 | 137.8 | -173 | 0 | 0 | 105.9 | ||||
| 4 | D | 47.2 | Very low | 45.1 | Very low | 149 Ų | 149 | 154.3 Ų | 154.3 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -45.9 | 141.5 | 152.9 | -60.2 | -79.4 | 0 | 0 | 0 | 109.8 | ||||
| 5 | N | 52.4 | Low | 44.8 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -129.4 | 118.3 | 163.2 | -149 | -35.7 | 0 | 0 | 0 | 108.8 | ||||
| 6 | D | 47.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 69% | 0.69 | 82% | 0.815 | S | S | * | * | trans | -40.5 | 141.8 | -168.7 | -74.5 | -102 | 0 | 0 | 0 | 118.9 | ||||
| 7 | E | 49.8 | Very low | 44.5 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -57.8 | 129 | 142.8 | -73.6 | -178.2 | 135.7 | 0 | 0 | 110.5 | ||||
| 8 | T | 40.2 | Very low | 44.2 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -136.6 | 97.9 | 155 | 33 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 9 | Q | 37.4 | Very low | 43.8 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | 50.2 | 109.1 | 100 | -80.3 | -171.7 | 1.2 | 0 | 0 | 115.6 | |||||
| 10 | T | 34.2 | Very low | 43.9 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | 58.6 | 109.1 | 123.7 | -31.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 11 | A | 39.6 | Very low | 43.9 | Very low | 87 Ų | 87 | 148.3 Ų | 148.3 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | -164.8 | 114.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | E13 | A11-E13 PolarHBondContact O-N 3.49Š| |||
| 12 | E | 45.5 | Very low | 43.7 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -51.4 | 129.3 | 139.9 | -81.7 | -159.1 | 142 | 0 | 0 | 107 | ||||
| 13 | E | 39 | Very low | 43.6 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -154.3 | 120.4 | 140.3 | -72.3 | -153.5 | 158.2 | 0 | 0 | 108.9 | A11 | A11-E13 PolarHBondContact O-N 3.49Š| ||
| 14 | T | 38.8 | Very low | 43 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -55.2 | 143.3 | 154.4 | 46 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 15 | P | 40.3 | Very low | 43.1 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -114.3 | 103.4 | 140.2 | 29.2 | -17.9 | 0 | 0 | 0 | 108.6 | ||||
| 16 | V | 42.3 | Very low | 43.1 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | -71.2 | 145.6 | 150 | 175.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 17 | E | 42.4 | Very low | 43.3 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | 77.6 | 109 | 169.5 | -78.6 | 157.2 | -155.3 | 0 | 0 | 117.6 | ||||
| 18 | E | 39.6 | Very low | 43.8 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | -178.1 | 89.3 | 119.6 | -96.7 | 178.4 | -163.6 | 0 | 0 | 110.1 | |||||
| 19 | T | 37.3 | Very low | 44.7 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | -147.9 | 62.2 | 139.9 | 59.9 | 0 | 0 | 0 | 0 | 108.2 | S21 | T19-S21 VanDerWaalsContact C-N 3.3Å; T19-S21 PolarHBondContact O-N 3.14Å | ||
| 20 | E | 44.1 | Very low | 46 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -86.9 | 62.5 | 170.6 | -59.4 | -163.4 | 143.6 | 0 | 0 | 110.3 | ||||
| 21 | S | 44.7 | Very low | 47.6 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -160.7 | 46.3 | 176.8 | 57.7 | 0 | 0 | 0 | 0 | 114 | T19 | T19-S21 VanDerWaalsContact C-N 3.3Å; T19-S21 PolarHBondContact O-N 3.14Å | ||
| 22 | Q | 43.2 | Very low | 49.1 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | trans | -142 | 58.8 | 152.1 | -69.4 | -157.7 | -5.3 | 0 | 0 | 109.3 | ||||
| 23 | D | 52.6 | Low | 50.2 | Low | 131 Ų | 131 | 132.2 Ų | 132.2 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 143.8 | 169.3 | -161.5 | 2.4 | 0 | 0 | 0 | 109.3 | ||
| 24 | K | 46.3 | Very low | 52 | Low | 194 Ų | 194 | 126.8 Ų | 126.8 | 84% | 0.843 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.1 | -8 | -179.2 | -57.2 | -177.3 | -179.5 | -170.4 | 0 | 120.3 | ||
| 25 | V | 48.4 | Very low | 54 | Low | 131 Ų | 131 | 127.8 Ų | 127.8 | 79% | 0.794 | 68% | 0.677 | S | S | * | * | trans | -124.1 | 71.6 | 160 | -171.5 | 0 | 0 | 0 | 0 | 107 | S27 | V25-S27 PolarHBondContact O-N 3.39Š| ||
| 26 | I | 52.4 | Low | 55.6 | Low | 134 Ų | 134 | 125.9 Ų | 125.9 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | trans | -69.9 | 87.6 | 175.1 | -59.4 | 166.2 | 0 | 0 | 0 | 106 | ||||
| 27 | S | 50.8 | Low | 57.3 | Low | 30 Ų | 30 | 124.6 Ų | 124.6 | 21% | 0.21 | 65% | 0.645 | C | S | . | * | trans | -51.3 | 133.8 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | V25 E29 K30 | V25-S27 PolarHBondContact O-N 3.39Å; S27-E29 PolarHBondContact O-N 2.86Å; S27-E29 VanDerWaalsContact OG-CB 3.24Å; S27-E29 WeakPolarHBondContact OG-CB 3.11Å; S27-E29 WeakPolarHBondContact OG-CG 3.25Å; S27-E29 PolarHBondContact OG-N 2.67Å; S27-E29 PolarHBondContact OG-OE2 2.84Å; S27-K30 PolarHBondContact O-N 3.33Å | ||
| 28 | P | 61.4 | Low | 59.1 | Low | 94 Ų | 94 | 121.8 Ų | 121.8 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -51.2 | -21.7 | 172.9 | 23 | -34.3 | 0 | 0 | 0 | 112.6 | K30 A31 E32 | P28-K30 PolarHBondContact O-N 2.97Å; P28-A31 PolarHBondContact O-N 2.91Å; P28-E32 WeakPolarHBondContact O-CG 3.35Å; P28-E32 PolarHBondContact O-N 3.32Å |
| 29 | E | 58.6 | Low | 61.3 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -58 | -41.8 | 176.6 | -60.8 | 166.3 | 156.5 | 0 | 0 | 112.8 | S27 A31 E32 E33 | S27-E29 PolarHBondContact O-N 2.86Å; S27-E29 VanDerWaalsContact OG-CB 3.24Å; S27-E29 WeakPolarHBondContact OG-CB 3.11Å; S27-E29 WeakPolarHBondContact OG-CG 3.25Å; S27-E29 PolarHBondContact OG-N 2.67Å; S27-E29 PolarHBondContact OG-OE2 2.84Å; E29-A31 PolarHBondContact O-N 3.27Å; E29-E32 PolarHBondContact O-N 2.87Å; E29-E33 WeakPolarHBondContact O-CB 3.43Å; E29-E33 WeakPolarHBondContact O-CG 3.39Å; E29-E33 PolarHBondContact O-N 3.39Å |
| 30 | K | 65.3 | Low | 63.3 | Low | 153 Ų | 153 | 121.9 Ų | 121.9 | 67% | 0.665 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.7 | -36.1 | 179 | -93 | 179.1 | 178.2 | 169.6 | 0 | 112.7 | S27 P28 A34 | S27-K30 PolarHBondContact O-N 3.33Å; P28-K30 PolarHBondContact O-N 2.97Å; K30-A34 PolarHBondContact O-N 3.47Å; K30-A34 VanDerWaalsContact O-N 3.11Å |
| 31 | A | 67.9 | Low | 64.9 | Low | 66 Ų | 66 | 118.7 Ų | 118.7 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.4 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P28 E29 A34 K35 | P28-A31 PolarHBondContact O-N 2.91Å; E29-A31 PolarHBondContact O-N 3.27Å; A31-A34 PolarHBondContact O-N 3.32Å; A31-K35 PolarHBondContact O-N 3.27Å; A31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | E | 70.5 | Confident | 66.3 | Low | 132 Ų | 132 | 121.3 Ų | 121.3 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.8 | -38.1 | 175 | -71.5 | -173.3 | 177 | 0 | 0 | 112 | P28 E29 K35 L36 | P28-E32 WeakPolarHBondContact O-CG 3.35Å; P28-E32 PolarHBondContact O-N 3.32Å; E29-E32 PolarHBondContact O-N 2.87Å; E32-K35 PolarHBondContact O-N 2.9Å; E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 WeakPolarHBondContact O-CG 3.36Å; E32-L36 PolarHBondContact O-N 2.71Å |
| 33 | E | 69.4 | Low | 67.6 | Low | 132 Ų | 132 | 116.3 Ų | 116.3 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63 | -42.9 | 173.5 | -77.4 | -177.5 | 178.5 | 0 | 0 | 112.4 | E29 K35 L36 K37 | E29-E33 WeakPolarHBondContact O-CB 3.43Å; E29-E33 WeakPolarHBondContact O-CG 3.39Å; E29-E33 PolarHBondContact O-N 3.39Å; E33-K35 PolarHBondContact O-N 3.38Å; E33-L36 PolarHBondContact O-N 3.11Å; E33-K37 VanDerWaalsContact O-CB 3.25Å; E33-K37 WeakPolarHBondContact O-CB 3.49Å; E33-K37 PolarHBondContact O-N 3.18Å |
| 34 | A | 75.3 | Confident | 68.2 | Low | 62 Ų | 62 | 111.7 Ų | 111.7 | 51% | 0.512 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.5 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | K30 A31 K37 A38 | K30-A34 PolarHBondContact O-N 3.47Å; K30-A34 VanDerWaalsContact O-N 3.11Å; A31-A34 PolarHBondContact O-N 3.32Å; A34-K37 PolarHBondContact O-N 3.24Å; A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.31Å |
| 35 | K | 81.3 | Confident | 69.1 | Low | 146 Ų | 146 | 111.2 Ų | 111.2 | 64% | 0.635 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.7 | -41.2 | 175.6 | -171.2 | 174.4 | -177 | 176 | 0 | 111.5 | A31 E32 E33 K37 A38 R39 | A31-K35 PolarHBondContact O-N 3.27Å; A31-K35 VanDerWaalsContact O-N 3.11Å; E32-K35 PolarHBondContact O-N 2.9Å; E33-K35 PolarHBondContact O-N 3.38Å; K35-K37 VanDerWaalsContact C-N 3.35Å; K35-A38 PolarHBondContact O-N 2.77Å; K35-R39 WeakPolarHBondContact O-CB 3.34Å; K35-R39 WeakPolarHBondContact O-CG 3.19Å; K35-R39 PolarHBondContact O-N 3.11Å |
| 36 | L | 74.8 | Confident | 70 | Confident | 86 Ų | 86 | 111 Ų | 111 | 45% | 0.45 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -38.8 | 174.5 | -83.3 | 168.3 | 0 | 0 | 0 | 111.7 | E32 E33 R39 Y40 L43 | E32-L36 WeakPolarHBondContact O-CB 3.44Å; E32-L36 WeakPolarHBondContact O-CG 3.36Å; E32-L36 PolarHBondContact O-N 2.71Å; E33-L36 PolarHBondContact O-N 3.11Å; L36-R39 PolarHBondContact O-N 2.85Å; L36-Y40 HydrophobicContact CD2-CD2 3.94Å; L36-Y40 HydrophobicContact CD2-CE2 3.78Å; L36-Y40 WeakPolarHBondContact O-CB 3.18Å; L36-Y40 WeakPolarHBondContact O-CD2 3.19Å; L36-Y40 PolarHBondContact O-N 3.48Å; L36-L43 HydrophobicContact CB-CD2 4.38Å |
| 37 | K | 78.2 | Confident | 70.4 | Confident | 82 Ų | 82 | 111.2 Ų | 111.2 | 36% | 0.357 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -41.6 | 176.4 | -173.1 | 58.8 | 171.1 | 171.7 | 0 | 112.2 | E33 A34 K35 Y40 P41 | E33-K37 VanDerWaalsContact O-CB 3.25Å; E33-K37 WeakPolarHBondContact O-CB 3.49Å; E33-K37 PolarHBondContact O-N 3.18Å; A34-K37 PolarHBondContact O-N 3.24Å; K35-K37 VanDerWaalsContact C-N 3.35Å; K37-Y40 CarbonylContact O-C 3.57Å; K37-Y40 PolarHBondContact O-N 2.67Å; K37-P41 PolarHBondContact NZ-O 3.48Å |
| 38 | A | 78.8 | Confident | 71.3 | Confident | 84 Ų | 84 | 112.8 Ų | 112.8 | 69% | 0.694 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.9 | -35.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A34 K35 | A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.31Å; K35-A38 PolarHBondContact O-N 2.77Å |
| 39 | R | 87.2 | Confident | 72 | Confident | 182 Ų | 182 | 110.7 Ų | 110.7 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.3 | -32.9 | 175.1 | -73.5 | -64.9 | -155.3 | -170.3 | 5.2 | 112.9 | K35 L36 | K35-R39 WeakPolarHBondContact O-CB 3.34Å; K35-R39 WeakPolarHBondContact O-CG 3.19Å; K35-R39 PolarHBondContact O-N 3.11Å; L36-R39 PolarHBondContact O-N 2.85Å |
| 40 | Y | 78.3 | Confident | 73.1 | Confident | 140 Ų | 140 | 107.5 Ų | 107.5 | 55% | 0.549 | 59% | 0.594 | S | S | . | * | trans | -131.1 | 79.9 | -175.4 | -55.4 | -71.3 | 0 | 0 | 0 | 109.7 | L36 K37 N42 L43 | L36-Y40 HydrophobicContact CD2-CD2 3.94Å; L36-Y40 HydrophobicContact CD2-CE2 3.78Å; L36-Y40 WeakPolarHBondContact O-CB 3.18Å; L36-Y40 WeakPolarHBondContact O-CD2 3.19Å; L36-Y40 PolarHBondContact O-N 3.48Å; K37-Y40 CarbonylContact O-C 3.57Å; K37-Y40 PolarHBondContact O-N 2.67Å; Y40-N42 PolarHBondContact O-N 3.28Å; Y40-N42 VanDerWaalsContact O-N 3.14Å; Y40-L43 HydrophobicContact CD2-CD2 4.39Å; Y40-L43 WeakPolarHBondContact O-CB 3.39Å; Y40-L43 PolarHBondContact O-N 3.47Å | ||
| 41 | P | 77.6 | Confident | 73.6 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 59% | 0.591 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -31.9 | 179.4 | 17.7 | -29.1 | 0 | 0 | 0 | 112.5 | K37 L43 | K37-P41 PolarHBondContact NZ-O 3.48Å; P41-L43 VanDerWaalsContact C-N 3.29Å; P41-L43 PolarHBondContact O-N 3.06Å |
| 42 | N | 74.4 | Confident | 74.2 | Confident | 154 Ų | 154 | 106.7 Ų | 106.7 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 0.6 | 175.5 | -61.6 | -35.4 | 0 | 0 | 0 | 114.7 | Y40 G44 | Y40-N42 PolarHBondContact O-N 3.28Å; Y40-N42 VanDerWaalsContact O-N 3.14Å; N42-G44 PolarHBondContact O-N 3.37Å |
| 43 | L | 70.2 | Confident | 74.6 | Confident | 87 Ų | 87 | 105.6 Ų | 105.6 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | trans | -76 | 42.1 | 171.3 | -163 | 64.1 | 0 | 0 | 0 | 110.1 | L36 Y40 P41 | L36-L43 HydrophobicContact CB-CD2 4.38Å; Y40-L43 HydrophobicContact CD2-CD2 4.39Å; Y40-L43 WeakPolarHBondContact O-CB 3.39Å; Y40-L43 PolarHBondContact O-N 3.47Å; P41-L43 VanDerWaalsContact C-N 3.29Å; P41-L43 PolarHBondContact O-N 3.06Å | ||
| 44 | G | 65.4 | Low | 75.1 | Confident | 34 Ų | 34 | 102.5 Ų | 102.5 | 35% | 0.351 | 57% | 0.567 | S | S | . | * | trans | -50.8 | 152.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | N42 K46 | N42-G44 PolarHBondContact O-N 3.37Å; G44-K46 PolarHBondContact O-N 3.42Å | ||
| 45 | H | 64.6 | Low | 75.4 | Confident | 183 Ų | 183 | 105.8 Ų | 105.8 | 85% | 0.847 | 57% | 0.57 | S | S | * | * | trans | -58.3 | 79.3 | 165.9 | -58.7 | 130.5 | 0 | 0 | 0 | 108.6 | ||||
| 46 | K | 67.3 | Low | 75.4 | Confident | 127 Ų | 127 | 108.5 Ų | 108.5 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | trans | -64.1 | 126.6 | 174.6 | -77.4 | -177.7 | 164.6 | 177.9 | 0 | 106 | G44 G48 G49 | G44-K46 PolarHBondContact O-N 3.42Å; K46-G48 PolarHBondContact O-N 2.83Å; K46-G49 PolarHBondContact O-N 3.31Å | ||
| 47 | P | 62.1 | Low | 75.6 | Confident | 138 Ų | 138 | 111.6 Ų | 111.6 | 90% | 0.896 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 110.5 | 172.3 | 23.7 | -31.5 | 0 | 0 | 0 | 107.1 | ||
| 48 | G | 68.2 | Low | 75.6 | Confident | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.2 | 3.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | K46 | K46-G48 PolarHBondContact O-N 2.83Š|
| 49 | G | 77 | Confident | 75.3 | Confident | 51 Ų | 51 | 117.5 Ų | 117.5 | 53% | 0.526 | 61% | 0.605 | S | S | . | * | trans | 71.8 | -155.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K46 | K46-G49 PolarHBondContact O-N 3.31Š| ||
| 50 | S | 80.9 | Confident | 74.6 | Confident | 64 Ų | 64 | 110.9 Ų | 110.9 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | trans | -58.7 | 137.5 | -174.1 | 172.8 | 0 | 0 | 0 | 0 | 113.5 | L52 L53 R54 | S50-L52 PolarHBondContact O-N 3.48Å; S50-L52 VanDerWaalsContact O-N 3.12Å; S50-L52 PolarHBondContact OG-N 3.36Å; S50-L53 WeakPolarHBondContact O-CB 3.48Å; S50-L53 PolarHBondContact O-N 2.98Å; S50-R54 PolarHBondContact O-N 2.95Å | ||
| 51 | D | 77.2 | Confident | 74.4 | Confident | 71 Ų | 71 | 111.7 Ų | 111.7 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -51.8 | -32.3 | 171.6 | -89.3 | 21.9 | 0 | 0 | 0 | 113.2 | R54 K55 | D51-R54 IonicContact OD1-CZ 3.12Å; D51-R54 IonicContact OD1-NH1 2.67Å; D51-R54 PolarHBondContact OD1-NH1 2.97Å; D51-R54 IonicContact OD1-NH2 2.71Å; D51-R54 PolarHBondContact OD1-NH2 3.4Å; D51-R54 IonicContact OD2-NH2 3.24Å; D51-R54 PolarHBondContact OD2-NH2 3.46Å; D51-K55 WeakPolarHBondContact O-CB 3.46Å; D51-K55 WeakPolarHBondContact O-CG 3.24Å; D51-K55 PolarHBondContact O-N 3.06Å |
| 52 | L | 79.8 | Confident | 74.4 | Confident | 131 Ų | 131 | 115.2 Ų | 115.2 | 69% | 0.686 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.9 | -46.1 | 176.5 | -174.4 | 67.9 | 0 | 0 | 0 | 111.4 | S50 R54 K55 R56 | S50-L52 PolarHBondContact O-N 3.48Å; S50-L52 VanDerWaalsContact O-N 3.12Å; S50-L52 PolarHBondContact OG-N 3.36Å; L52-R54 VanDerWaalsContact C-N 3.34Å; L52-K55 PolarHBondContact O-N 3.42Å; L52-R56 WeakPolarHBondContact O-CB 3.48Å; L52-R56 PolarHBondContact O-N 2.92Å |
| 53 | L | 78.3 | Confident | 74.6 | Confident | 110 Ų | 110 | 117.3 Ų | 117.3 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.9 | -42 | 176.8 | -69.4 | 172.1 | 0 | 0 | 0 | 110.5 | S50 K55 R56 L57 | S50-L53 WeakPolarHBondContact O-CB 3.48Å; S50-L53 PolarHBondContact O-N 2.98Å; L53-K55 PolarHBondContact O-N 2.75Å; L53-R56 PolarHBondContact O-N 3.14Å; L53-R56 VanDerWaalsContact O-N 3.16Å; L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 PolarHBondContact O-N 3.4Å |
| 54 | R | 80.6 | Confident | 75.2 | Confident | 66 Ų | 66 | 118.8 Ų | 118.8 | 25% | 0.249 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -62.1 | -43.8 | 176 | -169.3 | 174.8 | 65.8 | -101.3 | -0.6 | 112.2 | S50 D51 L52 R56 L57 Q58 | S50-R54 PolarHBondContact O-N 2.95Å; D51-R54 IonicContact OD1-CZ 3.12Å; D51-R54 IonicContact OD1-NH1 2.67Å; D51-R54 PolarHBondContact OD1-NH1 2.97Å; D51-R54 IonicContact OD1-NH2 2.71Å; D51-R54 PolarHBondContact OD1-NH2 3.4Å; D51-R54 IonicContact OD2-NH2 3.24Å; D51-R54 PolarHBondContact OD2-NH2 3.46Å; L52-R54 VanDerWaalsContact C-N 3.34Å; R54-R56 VanDerWaalsContact C-N 3.29Å; R54-R56 PolarHBondContact O-N 3.22Å; R54-L57 PolarHBondContact O-N 3.12Å; R54-Q58 HydrophobicContact CG-CG 4.17Å; R54-Q58 WeakPolarHBondContact O-CB 3.38Å; R54-Q58 WeakPolarHBondContact O-CG 3.32Å; R54-Q58 PolarHBondContact O-N 2.99Å |
| 55 | K | 82.5 | Confident | 76.2 | Confident | 132 Ų | 132 | 122.1 Ų | 122.1 | 57% | 0.574 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63 | -35.7 | 174.2 | -79.3 | 177.2 | 178.7 | 174.1 | 0 | 112.4 | D51 L52 L53 K59 | D51-K55 WeakPolarHBondContact O-CB 3.46Å; D51-K55 WeakPolarHBondContact O-CG 3.24Å; D51-K55 PolarHBondContact O-N 3.06Å; L52-K55 PolarHBondContact O-N 3.42Å; L53-K55 PolarHBondContact O-N 2.75Å; K55-K59 VanDerWaalsContact O-CB 3.31Å; K55-K59 WeakPolarHBondContact O-CB 3.31Å; K55-K59 WeakPolarHBondContact O-CG 3.46Å; K55-K59 PolarHBondContact O-N 3.46Å; K55-K59 VanDerWaalsContact O-N 3.1Å |
| 56 | R | 80.4 | Confident | 77.1 | Confident | 203 Ų | 203 | 118.2 Ų | 118.2 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.6 | -41.2 | 177.7 | -169.1 | 178 | 177 | 94.6 | 0.7 | 111.6 | L52 L53 R54 K59 | L52-R56 WeakPolarHBondContact O-CB 3.48Å; L52-R56 PolarHBondContact O-N 2.92Å; L53-R56 PolarHBondContact O-N 3.14Å; L53-R56 VanDerWaalsContact O-N 3.16Å; R54-R56 VanDerWaalsContact C-N 3.29Å; R54-R56 PolarHBondContact O-N 3.22Å; R56-K59 CarbonylContact O-C 3.41Å |
| 57 | L | 79.7 | Confident | 78.3 | Confident | 150 Ų | 150 | 113.7 Ų | 113.7 | 79% | 0.785 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.5 | -37.3 | -180 | -158.2 | 69.4 | 0 | 0 | 0 | 112.1 | L53 R54 K59 G60 | L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 PolarHBondContact O-N 3.4Å; R54-L57 PolarHBondContact O-N 3.12Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-G60 PolarHBondContact O-N 2.94Å |
| 58 | Q | 77.3 | Confident | 79.6 | Confident | 142 Ų | 142 | 110.3 Ų | 110.3 | 66% | 0.664 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.8 | -28.8 | 174.3 | -73.2 | 176.4 | -17 | 0 | 0 | 112.8 | R54 G60 | R54-Q58 HydrophobicContact CG-CG 4.17Å; R54-Q58 WeakPolarHBondContact O-CB 3.38Å; R54-Q58 WeakPolarHBondContact O-CG 3.32Å; R54-Q58 PolarHBondContact O-N 2.99Å; Q58-G60 PolarHBondContact O-N 3.26Å |
| 59 | K | 71.9 | Confident | 80.6 | Confident | 149 Ų | 149 | 113.4 Ų | 113.4 | 65% | 0.648 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -76.5 | 59 | 163.6 | -77.7 | 173.8 | 171.9 | 176.4 | 0 | 109.5 | K55 R56 L57 | K55-K59 VanDerWaalsContact O-CB 3.31Å; K55-K59 WeakPolarHBondContact O-CB 3.31Å; K55-K59 WeakPolarHBondContact O-CG 3.46Å; K55-K59 PolarHBondContact O-N 3.46Å; K55-K59 VanDerWaalsContact O-N 3.1Å; R56-K59 CarbonylContact O-C 3.41Å; L57-K59 VanDerWaalsContact C-N 3.35Å |
| 60 | G | 72.2 | Confident | 81.2 | Confident | 43 Ų | 43 | 116.5 Ų | 116.5 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | trans | -54.8 | -171.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L57 Q58 K62 | L57-G60 PolarHBondContact O-N 2.94Å; Q58-G60 PolarHBondContact O-N 3.26Å; G60-K62 WeakPolarHBondContact O-CG 3.13Å; G60-K62 PolarHBondContact O-N 3.41Å | ||
| 61 | Q | 75.2 | Confident | 81.5 | Confident | 157 Ų | 157 | 118 Ų | 118 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | trans | -49.1 | 105 | 176 | -94.3 | -75.7 | -12.4 | 0 | 0 | 110.5 | Y63 | Q61-Y63 HydrophobicContact CB-CE2 4.27Å; Q61-Y63 WeakPolarHBondContact O-CD2 3.5Å; Q61-Y63 PolarHBondContact O-N 3.1Å; Q61-Y63 VanDerWaalsContact O-N 3.09Å | ||
| 62 | K | 77.4 | Confident | 81.6 | Confident | 164 Ų | 164 | 116.7 Ų | 116.7 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | trans | -82.1 | 94.1 | 178.8 | -60.5 | -155.6 | 78.5 | 166.9 | 0 | 106.4 | G60 | G60-K62 WeakPolarHBondContact O-CG 3.13Å; G60-K62 PolarHBondContact O-N 3.41Å | ||
| 63 | Y | 78.4 | Confident | 81.6 | Confident | 199 Ų | 199 | 115.4 Ų | 115.4 | 78% | 0.78 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.9 | 165.3 | -58 | -74.1 | 0 | 0 | 0 | 108.4 | Q61 D65 | Q61-Y63 HydrophobicContact CB-CE2 4.27Å; Q61-Y63 WeakPolarHBondContact O-CD2 3.5Å; Q61-Y63 PolarHBondContact O-N 3.1Å; Q61-Y63 VanDerWaalsContact O-N 3.09Å; Y63-D65 PolarHBondContact O-N 2.82Å |
| 64 | F | 83.6 | Confident | 81.5 | Confident | 117 Ų | 117 | 112.4 Ų | 112.4 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 121.7 | 176.9 | -168.5 | -113.9 | 0 | 0 | 0 | 108.7 | D68 Y69 A72 | F64-D68 HydrophobicContact CD1-CB 4.14Å; F64-D68 HydrophobicContact CD2-CB 3.46Å; F64-D68 VanDerWaalsContact CD2-CB 3.46Å; F64-D68 VanDerWaalsContact CE1-C 3.47Å; F64-D68 HydrophobicContact CE1-CB 3.94Å; F64-D68 HydrophobicContact CE2-CB 3.17Å; F64-D68 HydrophobicContact CG-CB 3.96Å; F64-D68 HydrophobicContact CZ-CB 3.46Å; F64-D68 VanDerWaalsContact CZ-CB 3.46Å; F64-D68 WeakPolarHBondContact CZ-O 3.45Å; F64-Y69 HydrophobicContact CD1-CD2 4.46Å; F64-Y69 VanDerWaalsContact CE1-CB 3.46Å; F64-Y69 AromaticContact CE1-CD2 3.76Å; F64-Y69 HydrophobicContact CE1-CD2 3.76Å; F64-Y69 HydrophobicContact CE1-CG 4.03Å; F64-Y69 VanDerWaalsContact CZ-CA 3.41Å; F64-A72 HydrophobicContact CZ-CB 4.09Å |
| 65 | D | 84.9 | Confident | 81.1 | Confident | 104 Ų | 104 | 116.6 Ų | 116.6 | 56% | 0.556 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 142.9 | 174.2 | -171.7 | -4.2 | 0 | 0 | 0 | 108.1 | Y63 G67 D68 | Y63-D65 PolarHBondContact O-N 2.82Å; D65-G67 PolarHBondContact O-N 3.16Å; D65-D68 WeakPolarHBondContact O-CB 3.34Å; D65-D68 PolarHBondContact O-N 3.29Å |
| 66 | S | 85.3 | Confident | 80.3 | Confident | 101 Ų | 101 | 115.3 Ų | 115.3 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -49.3 | -28.9 | 173.3 | 61.3 | 0 | 0 | 0 | 0 | 113 | ||
| 67 | G | 91.6 | Very high | 79.7 | Confident | 33 Ų | 33 | 114.4 Ų | 114.4 | 34% | 0.34 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.6 | -30.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D65 Y69 N70 | D65-G67 PolarHBondContact O-N 3.16Å; G67-Y69 PolarHBondContact O-N 2.97Å; G67-N70 PolarHBondContact O-N 2.72Å |
| 68 | D | 89.9 | Confident | 78.9 | Confident | 66 Ų | 66 | 113.3 Ų | 113.3 | 35% | 0.353 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -26.7 | 177.7 | -73.2 | -27.5 | 0 | 0 | 0 | 111.4 | F64 D65 N70 M71 A72 | F64-D68 HydrophobicContact CD1-CB 4.14Å; F64-D68 HydrophobicContact CD2-CB 3.46Å; F64-D68 VanDerWaalsContact CD2-CB 3.46Å; F64-D68 VanDerWaalsContact CE1-C 3.47Å; F64-D68 HydrophobicContact CE1-CB 3.94Å; F64-D68 HydrophobicContact CE2-CB 3.17Å; F64-D68 HydrophobicContact CG-CB 3.96Å; F64-D68 HydrophobicContact CZ-CB 3.46Å; F64-D68 VanDerWaalsContact CZ-CB 3.46Å; F64-D68 WeakPolarHBondContact CZ-O 3.45Å; D65-D68 WeakPolarHBondContact O-CB 3.34Å; D65-D68 PolarHBondContact O-N 3.29Å; D68-N70 VanDerWaalsContact C-N 3.34Å; D68-N70 PolarHBondContact O-N 3.47Å; D68-M71 HydrophobicContact CB-CE 4.49Å; D68-M71 PolarHBondContact O-N 3.42Å; D68-M71 WeakPolarHBondContact OD1-CE 3.2Å; D68-A72 WeakPolarHBondContact O-CB 3.05Å; D68-A72 PolarHBondContact O-N 3.3Å |
| 69 | Y | 89.4 | Confident | 78 | Confident | 128 Ų | 128 | 113.9 Ų | 113.9 | 50% | 0.502 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.3 | -45.9 | 179.8 | -161.9 | -86.7 | 0 | 0 | 0 | 111.7 | F64 G67 A72 K73 | F64-Y69 HydrophobicContact CD1-CD2 4.46Å; F64-Y69 VanDerWaalsContact CE1-CB 3.46Å; F64-Y69 AromaticContact CE1-CD2 3.76Å; F64-Y69 HydrophobicContact CE1-CD2 3.76Å; F64-Y69 HydrophobicContact CE1-CG 4.03Å; F64-Y69 VanDerWaalsContact CZ-CA 3.41Å; G67-Y69 PolarHBondContact O-N 2.97Å; Y69-A72 PolarHBondContact O-N 3.09Å; Y69-K73 HydrophobicContact CD1-CG 3.89Å; Y69-K73 HydrophobicContact CE1-CD 4.26Å; Y69-K73 HydrophobicContact CE1-CG 3.66Å; Y69-K73 WeakPolarHBondContact O-CB 3.29Å; Y69-K73 VanDerWaalsContact O-CG 3.29Å; Y69-K73 WeakPolarHBondContact O-CG 3.38Å; Y69-K73 PolarHBondContact O-N 2.8Å; Y69-K73 WeakPolarHBondContact OH-CE 3.2Å |
| 70 | N | 88.8 | Confident | 77.3 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.9 | -38.8 | -179.2 | -71.8 | -15.6 | 0 | 0 | 0 | 111.3 | G67 D68 K73 A74 | G67-N70 PolarHBondContact O-N 2.72Å; D68-N70 VanDerWaalsContact C-N 3.34Å; D68-N70 PolarHBondContact O-N 3.47Å; N70-K73 PolarHBondContact O-N 3.33Å; N70-A74 WeakPolarHBondContact O-CB 3.2Å; N70-A74 PolarHBondContact O-N 3Å |
| 71 | M | 86.9 | Confident | 76.2 | Confident | 95 Ų | 95 | 118.1 Ų | 118.1 | 47% | 0.468 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -42 | 176 | -69.5 | -170.4 | -73.4 | 0 | 0 | 112.3 | D68 A74 K75 | D68-M71 HydrophobicContact CB-CE 4.49Å; D68-M71 PolarHBondContact O-N 3.42Å; D68-M71 WeakPolarHBondContact OD1-CE 3.2Å; M71-A74 PolarHBondContact O-N 2.84Å; M71-K75 WeakPolarHBondContact O-CB 3.43Å; M71-K75 WeakPolarHBondContact O-CG 3.39Å; M71-K75 PolarHBondContact O-N 3.38Å |
| 72 | A | 78.9 | Confident | 75.2 | Confident | 43 Ų | 43 | 116.4 Ų | 116.4 | 36% | 0.355 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.9 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F64 D68 Y69 K75 I76 | F64-A72 HydrophobicContact CZ-CB 4.09Å; D68-A72 WeakPolarHBondContact O-CB 3.05Å; D68-A72 PolarHBondContact O-N 3.3Å; Y69-A72 PolarHBondContact O-N 3.09Å; A72-K75 PolarHBondContact O-N 3.43Å; A72-I76 WeakPolarHBondContact O-CG1 3.03Å; A72-I76 PolarHBondContact O-N 2.98Å |
| 73 | K | 79.8 | Confident | 73.8 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 46% | 0.457 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.9 | -35.3 | 175.1 | -71.9 | -67.5 | -167.9 | 175.6 | 0 | 112.9 | Y69 N70 I76 K77 | Y69-K73 HydrophobicContact CD1-CG 3.89Å; Y69-K73 HydrophobicContact CE1-CD 4.26Å; Y69-K73 HydrophobicContact CE1-CG 3.66Å; Y69-K73 WeakPolarHBondContact O-CB 3.29Å; Y69-K73 VanDerWaalsContact O-CG 3.29Å; Y69-K73 WeakPolarHBondContact O-CG 3.38Å; Y69-K73 PolarHBondContact O-N 2.8Å; Y69-K73 WeakPolarHBondContact OH-CE 3.2Å; N70-K73 PolarHBondContact O-N 3.33Å; K73-I76 HydrophobicContact CD-CD1 3.9Å; K73-I76 WeakPolarHBondContact O-CG1 3.47Å; K73-K77 PolarHBondContact O-N 3.43Å |
| 74 | A | 76.8 | Confident | 72.6 | Confident | 47 Ų | 47 | 108.4 Ų | 108.4 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.6 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N70 M71 I76 K77 N78 | N70-A74 WeakPolarHBondContact O-CB 3.2Å; N70-A74 PolarHBondContact O-N 3Å; M71-A74 PolarHBondContact O-N 2.84Å; A74-I76 VanDerWaalsContact C-N 3.35Å; A74-I76 PolarHBondContact O-N 2.9Å; A74-K77 PolarHBondContact O-N 3.29Å; A74-N78 WeakPolarHBondContact O-CB 3.21Å; A74-N78 PolarHBondContact O-N 2.88Å |
| 75 | K | 73.3 | Confident | 71 | Confident | 153 Ų | 153 | 106.6 Ų | 106.6 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.3 | -37.8 | 176.7 | -76.4 | 169.4 | -175.2 | 176.5 | 0 | 112.7 | M71 A72 N78 | M71-K75 WeakPolarHBondContact O-CB 3.43Å; M71-K75 WeakPolarHBondContact O-CG 3.39Å; M71-K75 PolarHBondContact O-N 3.38Å; A72-K75 PolarHBondContact O-N 3.43Å; K75-N78 CarbonylContact O-C 3.15Å |
| 76 | I | 64.8 | Low | 69.5 | Low | 106 Ų | 106 | 106.7 Ų | 106.7 | 54% | 0.544 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.5 | -30 | 174.6 | 57 | 177.3 | 0 | 0 | 0 | 113 | A72 K73 A74 | A72-I76 WeakPolarHBondContact O-CG1 3.03Å; A72-I76 PolarHBondContact O-N 2.98Å; K73-I76 HydrophobicContact CD-CD1 3.9Å; K73-I76 WeakPolarHBondContact O-CG1 3.47Å; A74-I76 VanDerWaalsContact C-N 3.35Å; A74-I76 PolarHBondContact O-N 2.9Å |
| 77 | K | 68.2 | Low | 67.7 | Low | 184 Ų | 184 | 110.1 Ų | 110.1 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.5 | -35.9 | 176.1 | -170.9 | 179.1 | 178.1 | -176.8 | 0 | 111.8 | K73 A74 K79 | K73-K77 PolarHBondContact O-N 3.43Å; A74-K77 PolarHBondContact O-N 3.29Å; K77-K79 PolarHBondContact O-N 3.36Å |
| 78 | N | 62.1 | Low | 66.1 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 43.2 | 168.7 | -68.8 | -21.2 | 0 | 0 | 0 | 111.2 | A74 K75 Q80 | A74-N78 WeakPolarHBondContact O-CB 3.21Å; A74-N78 PolarHBondContact O-N 2.88Å; K75-N78 CarbonylContact O-C 3.15Å; N78-Q80 PolarHBondContact O-N 2.84Å |
| 79 | K | 59.6 | Low | 64.3 | Low | 154 Ų | 154 | 119.7 Ų | 119.7 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | trans | -71.6 | 57.2 | 155.1 | -97.7 | -179.7 | 165.7 | -179.5 | 0 | 109.4 | K77 L81 | K77-K79 PolarHBondContact O-N 3.36Å; K79-L81 HydrophobicContact CB-CD1 4.3Å; K79-L81 HydrophobicContact CD-CD1 4.07Å; K79-L81 HydrophobicContact CG-CD1 3.86Å; K79-L81 PolarHBondContact O-N 3.49Å; K79-L81 VanDerWaalsContact O-N 3.08Å | ||
| 80 | Q | 56.7 | Low | 62.9 | Low | 184 Ų | 184 | 122.7 Ų | 122.7 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | -71.7 | 84.6 | 128.5 | -73.6 | -171.1 | 62.5 | 0 | 0 | 103.9 | N78 | N78-Q80 PolarHBondContact O-N 2.84Š| |||
| 81 | L | 48.5 | Very low | 61.4 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | trans | -31.2 | 132.7 | 149.4 | -115.7 | 66.7 | 0 | 0 | 0 | 106.5 | K79 T83 | K79-L81 HydrophobicContact CB-CD1 4.3Å; K79-L81 HydrophobicContact CD-CD1 4.07Å; K79-L81 HydrophobicContact CG-CD1 3.86Å; K79-L81 PolarHBondContact O-N 3.49Å; K79-L81 VanDerWaalsContact O-N 3.08Å; L81-T83 PolarHBondContact O-N 3.15Å | ||
| 82 | P | 54.9 | Low | 59.8 | Low | 121 Ų | 121 | 123.8 Ų | 123.8 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -51.9 | 108.2 | 131.7 | 25.8 | -27.2 | 0 | 0 | 0 | 103.2 | A84 | P82-A84 PolarHBondContact O-N 3.3Š| ||
| 83 | T | 47.7 | Very low | 59.3 | Low | 109 Ų | 109 | 125.8 Ų | 125.8 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | trans | -52.2 | 97.8 | 164.2 | -77 | 0 | 0 | 0 | 0 | 103.3 | L81 A85 | L81-T83 PolarHBondContact O-N 3.15Å; T83-A85 PolarHBondContact O-N 3.26Å | ||
| 84 | A | 52.7 | Low | 58.6 | Low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | trans | -57.8 | 101.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 101.8 | P82 P86 | P82-A84 PolarHBondContact O-N 3.3Å; A84-P86 WeakPolarHBondContact O-CD 3.46Å; A84-P86 VanDerWaalsContact O-N 3.07Å | ||
| 85 | A | 50.6 | Low | 58.8 | Low | 79 Ų | 79 | 131.7 Ų | 131.7 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | trans | -50 | 120.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | T83 E87 | T83-A85 PolarHBondContact O-N 3.26Å; A85-E87 PolarHBondContact O-N 3.43Å | ||
| 86 | P | 52.4 | Low | 59 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -66.5 | 123.4 | 167.5 | 28.5 | -28.7 | 0 | 0 | 0 | 105.7 | A84 | A84-P86 WeakPolarHBondContact O-CD 3.46Å; A84-P86 VanDerWaalsContact O-N 3.07Å | ||
| 87 | E | 49 | Very low | 59.5 | Low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | trans | 71.7 | 114.1 | 163.8 | -50.6 | -178 | -173.7 | 0 | 0 | 115.3 | A85 | A85-E87 PolarHBondContact O-N 3.43Š| ||
| 88 | K | 56.4 | Low | 60.1 | Low | 192 Ų | 192 | 124.8 Ų | 124.8 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | -151 | 131.9 | 92.9 | -70 | -137 | 179.4 | -166.2 | 0 | 110.9 | |||||
| 89 | T | 53 | Low | 60.7 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | trans | 65 | 106.8 | 161.5 | 60.8 | 0 | 0 | 0 | 0 | 116.5 | I91 | T89-I91 VanDerWaalsContact C-N 3.32Å; T89-I91 WeakPolarHBondContact O-CG1 3.13Å; T89-I91 PolarHBondContact O-N 2.82Å | ||
| 90 | E | 59.3 | Low | 61.6 | Low | 192 Ų | 192 | 125.7 Ų | 125.7 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | trans | -38.8 | 100.1 | 141.8 | -63.4 | 171.7 | 159.3 | 0 | 0 | 109.4 | T92 | E90-T92 PolarHBondContact O-N 3.45Š| ||
| 91 | I | 58.9 | Low | 62.5 | Low | 109 Ų | 109 | 121.6 Ų | 121.6 | 56% | 0.559 | 70% | 0.699 | S | S | * | * | trans | -99.3 | 59.5 | 168.5 | -21.4 | 175.3 | 0 | 0 | 0 | 106.2 | T89 G93 H95 | T89-I91 VanDerWaalsContact C-N 3.32Å; T89-I91 WeakPolarHBondContact O-CG1 3.13Å; T89-I91 PolarHBondContact O-N 2.82Å; I91-G93 PolarHBondContact O-N 3.2Å; I91-H95 HydrophobicContact CG2-CB 3.65Å | ||
| 92 | T | 53.2 | Low | 63.7 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 77% | 0.767 | 70% | 0.699 | S | S | * | * | trans | -66.9 | 92.6 | 171.2 | -61.9 | 0 | 0 | 0 | 0 | 107.1 | E90 D94 | E90-T92 PolarHBondContact O-N 3.45Å; T92-D94 PolarHBondContact O-N 2.89Å | ||
| 93 | G | 66.9 | Low | 64.9 | Low | 85 Ų | 85 | 121.5 Ų | 121.5 | 88% | 0.876 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 63.4 | -11.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | I91 | I91-G93 PolarHBondContact O-N 3.2Š|
| 94 | D | 66.1 | Low | 66.5 | Low | 160 Ų | 160 | 125.4 Ų | 125.4 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -106.2 | -16.7 | -165.9 | -148.3 | 30.6 | 0 | 0 | 0 | 114.1 | T92 | T92-D94 PolarHBondContact O-N 2.89Š|
| 95 | H | 80.3 | Confident | 67.7 | Low | 116 Ų | 116 | 132.4 Ų | 132.4 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | S | Bend | trans | -110.4 | 104.7 | 178.1 | -171.9 | -76.3 | 0 | 0 | 0 | 110.9 | I91 | I91-H95 HydrophobicContact CG2-CB 3.65Š|
| 96 | I | 76.8 | Confident | 69.1 | Low | 146 Ų | 146 | 138.1 Ų | 138.1 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 123.8 | 175.4 | -58 | -179.7 | 0 | 0 | 0 | 108.5 | T98 | I96-T98 PolarHBondContact O-N 3.23Š|
| 97 | P | 75.8 | Confident | 70.3 | Confident | 86 Ų | 86 | 139 Ų | 139 | 56% | 0.558 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.8 | 179.3 | 24.5 | -32.4 | 0 | 0 | 0 | 109.9 | L102 | P97-L102 HydrophobicContact CB-CD1 4Š|
| 98 | T | 80.5 | Confident | 71.6 | Confident | 66 Ų | 66 | 135.3 Ų | 135.3 | 41% | 0.405 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -79.1 | 156.4 | 177.6 | 67.8 | 0 | 0 | 0 | 0 | 109.6 | I96 Q100 D101 | I96-T98 PolarHBondContact O-N 3.23Å; T98-Q100 PolarHBondContact O-N 2.91Å; T98-D101 PolarHBondContact N-OD2 3.21Å; T98-D101 VanDerWaalsContact N-OD2 3.09Å; T98-D101 WeakPolarHBondContact O-CB 3.47Å; T98-D101 PolarHBondContact O-N 2.97Å; T98-D101 PolarHBondContact OG1-OD2 3.08Å |
| 99 | P | 75.4 | Confident | 72.3 | Confident | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -13.4 | 179.6 | 21.4 | -32 | 0 | 0 | 0 | 114.1 | ||
| 100 | Q | 77.6 | Confident | 73.1 | Confident | 173 Ų | 173 | 135.1 Ų | 135.1 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -25.8 | 173.9 | -162.9 | 63.1 | 23.1 | 0 | 0 | 112.9 | T98 L102 | T98-Q100 PolarHBondContact O-N 2.91Å; Q100-L102 VanDerWaalsContact C-N 3.32Å |
| 101 | D | 76.1 | Confident | 73.6 | Confident | 99 Ų | 99 | 129.9 Ų | 129.9 | 53% | 0.529 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -12.9 | 179.2 | -58.6 | -44.4 | 0 | 0 | 0 | 112.3 | T98 | T98-D101 PolarHBondContact N-OD2 3.21Å; T98-D101 VanDerWaalsContact N-OD2 3.09Å; T98-D101 WeakPolarHBondContact O-CB 3.47Å; T98-D101 PolarHBondContact O-N 2.97Å; T98-D101 PolarHBondContact OG1-OD2 3.08Å |
| 102 | L | 73.3 | Confident | 74.5 | Confident | 99 Ų | 99 | 129.6 Ų | 129.6 | 52% | 0.518 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -88.8 | 138.2 | 176.7 | -98.5 | 69.3 | 0 | 0 | 0 | 110.8 | P97 Q100 Q104 | P97-L102 HydrophobicContact CB-CD1 4Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; L102-Q104 PolarHBondContact O-N 2.87Å |
| 103 | P | 81.6 | Confident | 75.4 | Confident | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 129.7 | 173.4 | 24.5 | -33 | 0 | 0 | 0 | 109.9 | R105 | P103-R105 PolarHBondContact O-N 2.69Å; P103-R105 VanDerWaalsContact O-N 3.15Å |
| 104 | Q | 79.7 | Confident | 75.4 | Confident | 191 Ų | 191 | 136.8 Ų | 136.8 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.4 | -175.7 | -143.3 | 172.1 | 17.4 | 0 | 0 | 109.9 | L102 K106 | L102-Q104 PolarHBondContact O-N 2.87Å; Q104-K106 PolarHBondContact O-N 2.87Å |
| 105 | R | 78 | Confident | 74.9 | Confident | 232 Ų | 232 | 134.5 Ų | 134.5 | 88% | 0.875 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.2 | 176.6 | -76.6 | -178.8 | 168.4 | 152 | -2 | 108.9 | P103 | P103-R105 PolarHBondContact O-N 2.69Å; P103-R105 VanDerWaalsContact O-N 3.15Å |
| 106 | K | 80.8 | Confident | 73.4 | Confident | 199 Ų | 199 | 136.3 Ų | 136.3 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.3 | 173.8 | -63.1 | -175.2 | -179.7 | -178.3 | 0 | 108.8 | Q104 S108 | Q104-K106 PolarHBondContact O-N 2.87Å; K106-S108 PolarHBondContact O-N 2.84Å |
| 107 | P | 78.1 | Confident | 73.3 | Confident | 125 Ų | 125 | 135.8 Ų | 135.8 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.2 | 175.3 | 25.3 | -32.6 | 0 | 0 | 0 | 109.7 | L109 | P107-L109 PolarHBondContact O-N 2.76Š|
| 108 | S | 75.8 | Confident | 73.1 | Confident | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.7 | 179.4 | 133.4 | 0 | 0 | 0 | 0 | 110 | K106 V110 | K106-S108 PolarHBondContact O-N 2.84Å; S108-V110 PolarHBondContact O-N 3.2Å; S108-V110 VanDerWaalsContact O-N 3.14Å; S108-V110 WeakPolarHBondContact OG-CG2 3.36Å; S108-V110 PolarHBondContact OG-N 3.22Å |
| 109 | L | 70.8 | Confident | 72.7 | Confident | 171 Ų | 171 | 142.4 Ų | 142.4 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -84.6 | 34.9 | 178.2 | -141.9 | 168 | 0 | 0 | 0 | 111.8 | P107 A111 | P107-L109 PolarHBondContact O-N 2.76Å; L109-A111 PolarHBondContact O-N 3.09Å | ||
| 110 | V | 70.8 | Confident | 72.6 | Confident | 124 Ų | 124 | 143.4 Ų | 143.4 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -84.8 | 96.6 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | S108 S112 | S108-V110 PolarHBondContact O-N 3.2Å; S108-V110 VanDerWaalsContact O-N 3.14Å; S108-V110 WeakPolarHBondContact OG-CG2 3.36Å; S108-V110 PolarHBondContact OG-N 3.22Å; V110-S112 PolarHBondContact O-N 3.47Å | ||
| 111 | A | 70 | Confident | 72.3 | Confident | 82 Ų | 82 | 141.6 Ų | 141.6 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -72.1 | 121.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | L109 K113 | L109-A111 PolarHBondContact O-N 3.09Å; A111-K113 PolarHBondContact O-N 2.75Å | ||
| 112 | S | 75.9 | Confident | 72 | Confident | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 84% | 0.844 | S | S | * | * | trans | -61.2 | 116.4 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | V110 L114 | V110-S112 PolarHBondContact O-N 3.47Å; S112-L114 VanDerWaalsContact C-N 3.3Å; S112-L114 PolarHBondContact O-N 2.91Å | ||
| 113 | K | 72.1 | Confident | 71.9 | Confident | 206 Ų | 206 | 147.6 Ų | 147.6 | 90% | 0.896 | 87% | 0.867 | S | S | * | * | trans | -89.6 | 70.4 | 167.1 | -73.7 | -178.5 | 167.9 | -179.4 | 0 | 108.8 | A111 | A111-K113 PolarHBondContact O-N 2.75Š| ||
| 114 | L | 66.9 | Low | 71.2 | Confident | 155 Ų | 155 | 149.9 Ų | 149.9 | 81% | 0.812 | 88% | 0.875 | S | S | * | * | trans | -129 | 125.3 | 161.3 | -120 | 95.6 | 0 | 0 | 0 | 107.7 | S112 | S112-L114 VanDerWaalsContact C-N 3.3Å; S112-L114 PolarHBondContact O-N 2.91Å | ||
| 115 | A | 55.8 | Low | 70.5 | Confident | 112 Ų | 112 | 146.5 Ų | 146.5 | 93% | 0.926 | 87% | 0.873 | S | S | * | * | trans | 78.4 | 107.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 116 | G | 50.6 | Low | 69.8 | Low | 154 Ų | 154 | 138.7 Ų | 138.7 | 100% | 1.588 | 87% | 0.873 | S | S | * | * | trans | 177.8 | 0 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 116 of 116 residues in 43.7 ms
(Link to these results)