| 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 | 49.7 | Very low | 54.5 | Low | 243 Ų | 243 | 153.8 Ų | 153.8 | 100% | 1.197 | 83% | 0.833 | S | S | * | * | 0 | 97.6 | 0 | -91.8 | -79.1 | -147.2 | 0 | 0 | 108.3 | |||||
| 2 | L | 40.2 | Very low | 54.8 | Low | 153 Ų | 153 | 159.1 Ų | 159.1 | 80% | 0.801 | 84% | 0.843 | S | S | * | * | trans | -65.3 | 132.8 | -167.7 | -85.3 | 62.6 | 0 | 0 | 0 | 113.5 | ||||
| 3 | R | 54.6 | Low | 55.7 | Low | 229 Ų | 229 | 160.3 Ų | 160.3 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | -140.7 | 97.3 | 139.4 | -76.2 | -165.2 | -177.5 | 148.3 | 2.5 | 110 | F5 | R3-F5 PolarHBondContact O-N 3.21Š| ||
| 4 | L | 47.8 | Very low | 55.8 | Low | 145 Ų | 145 | 157.7 Ų | 157.7 | 76% | 0.759 | 84% | 0.835 | S | S | * | * | trans | -58.1 | 106.7 | 162.6 | -70.3 | 155 | 0 | 0 | 0 | 108.6 | T6 | L4-T6 PolarHBondContact O-N 3.25Š| ||
| 5 | F | 58.3 | Low | 56.5 | Low | 200 Ų | 200 | 153.8 Ų | 153.8 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -92.5 | 86.3 | 159.6 | -98.4 | -85.3 | 0 | 0 | 0 | 107.6 | R3 V7 | R3-F5 PolarHBondContact O-N 3.21Å; F5-V7 PolarHBondContact O-N 3.13Å | ||
| 6 | T | 59.4 | Low | 56.9 | Low | 117 Ų | 117 | 160 Ų | 160 | 72% | 0.718 | 84% | 0.841 | S | S | * | * | trans | -64 | 127.3 | 176.8 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | L4 | L4-T6 PolarHBondContact O-N 3.25Š| ||
| 7 | V | 52.4 | Low | 57.4 | Low | 123 Ų | 123 | 162.6 Ų | 162.6 | 75% | 0.745 | 84% | 0.844 | S | S | * | * | trans | -28.6 | 127.3 | 160.7 | 174.1 | 0 | 0 | 0 | 0 | 113.4 | F5 A9 | F5-V7 PolarHBondContact O-N 3.13Å; V7-A9 HydrophobicContact CG1-CB 4.29Å | ||
| 8 | M | 59.6 | Low | 57.7 | Low | 189 Ų | 189 | 160.2 Ų | 160.2 | 93% | 0.931 | 84% | 0.844 | S | S | * | * | trans | -131.2 | 83.9 | 153.9 | -159.6 | 173.4 | 70.9 | 0 | 0 | 109.1 | ||||
| 9 | A | 57.7 | Low | 58.2 | Low | 84 Ų | 84 | 158.8 Ų | 158.8 | 69% | 0.694 | 84% | 0.843 | S | S | * | * | trans | -88.2 | 126.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | V7 | V7-A9 HydrophobicContact CG1-CB 4.29Š| ||
| 10 | S | 58.6 | Low | 58.3 | Low | 115 Ų | 115 | 154 Ų | 154 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -163.3 | 124.9 | 156.1 | -165.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 11 | A | 61.7 | Low | 58.1 | Low | 94 Ų | 94 | 156.2 Ų | 156.2 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | trans | 54.4 | 108.1 | 147.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 12 | K | 58 | Low | 58.4 | Low | 217 Ų | 217 | 154.5 Ų | 154.5 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | trans | -73.4 | 127.6 | 151.5 | -83.5 | 173.8 | 172.5 | 176.7 | 0 | 109.7 | ||||
| 13 | Q | 66.2 | Low | 59.4 | Low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -150.2 | 111 | 155.9 | -168.6 | 157.3 | 4.4 | 0 | 0 | 113 | ||||
| 14 | T | 57.4 | Low | 59.6 | Low | 124 Ų | 124 | 148.5 Ų | 148.5 | 76% | 0.761 | 82% | 0.819 | S | S | * | * | trans | 37.5 | 128.3 | 142.2 | 67.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 15 | A | 66.3 | Low | 60.1 | Low | 99 Ų | 99 | 152.2 Ų | 152.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -171.5 | 132.6 | 104.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 16 | R | 62.8 | Low | 60 | Low | 253 Ų | 253 | 151.8 Ų | 151.8 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -85.8 | 131.5 | 175.5 | -66.7 | 175.6 | 173.2 | 172.8 | -2.9 | 109 | ||||
| 17 | K | 65.8 | Low | 60 | Low | 204 Ų | 204 | 154.7 Ų | 154.7 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -107.2 | 109.4 | 165.7 | -80.1 | -176.5 | 177.6 | -178.7 | 0 | 109.4 | ||||
| 18 | S | 61.7 | Low | 60 | Low | 120 Ų | 120 | 157.4 Ų | 157.4 | 84% | 0.839 | 84% | 0.836 | S | S | * | * | trans | -73.6 | 121.2 | 158.4 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | T | 67.1 | Low | 60 | Low | 134 Ų | 134 | 152.8 Ų | 152.8 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -113.6 | 108.4 | 161.5 | -58.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 20 | G | 60.9 | Low | 59.7 | Low | 62 Ų | 62 | 156 Ų | 156 | 64% | 0.639 | 84% | 0.839 | S | S | * | * | trans | -59.7 | 152.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K22 | G20-K22 PolarHBondContact O-N 3.24Š| ||
| 21 | E | 53.9 | Low | 60 | Low | 200 Ų | 200 | 154.4 Ų | 154.4 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -38.2 | 121.9 | 170.1 | -69.6 | 168.2 | 109.5 | 0 | 0 | 112.4 | ||||
| 22 | K | 56.6 | Low | 60 | Low | 207 Ų | 207 | 155.7 Ų | 155.7 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | trans | -119.2 | 104.8 | 153.9 | -90.4 | -178.3 | 174.1 | 178.2 | 0 | 107.6 | G20 L24 | G20-K22 PolarHBondContact O-N 3.24Å; K22-L24 PolarHBondContact O-N 3.1Å | ||
| 23 | A | 60.1 | Low | 60.3 | Low | 79 Ų | 79 | 149.9 Ų | 149.9 | 65% | 0.653 | 83% | 0.826 | S | S | * | * | trans | -44 | 119.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R25 | A23-R25 VanDerWaalsContact C-N 3.27Å; A23-R25 HydrophobicContact CB-CG 4.24Å; A23-R25 PolarHBondContact O-N 3.32Å | ||
| 24 | L | 60.3 | Low | 60.1 | Low | 177 Ų | 177 | 148 Ų | 148 | 93% | 0.927 | 83% | 0.826 | S | S | * | * | trans | -79.7 | 76.6 | 171.2 | -168.2 | 86.9 | 0 | 0 | 0 | 109 | K22 | K22-L24 PolarHBondContact O-N 3.1Š| ||
| 25 | R | 56.8 | Low | 60.6 | Low | 223 Ų | 223 | 145.2 Ų | 145.2 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -97.7 | 98.4 | 168.6 | -60.1 | -174.6 | -173.1 | -132.8 | 2.2 | 108.4 | A23 | A23-R25 VanDerWaalsContact C-N 3.27Å; A23-R25 HydrophobicContact CB-CG 4.24Å; A23-R25 PolarHBondContact O-N 3.32Å | ||
| 26 | K | 56.9 | Low | 61.1 | Low | 191 Ų | 191 | 143.6 Ų | 143.6 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -173.1 | 87.9 | 162.8 | -101.3 | 165.5 | -170.3 | -166.7 | 0 | 107.3 | ||||
| 27 | Q | 60.2 | Low | 61.9 | Low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | 52.4 | 93.1 | 102.9 | -76.6 | -174.9 | -11.6 | 0 | 0 | 114.2 | A29 | Q27-A29 PolarHBondContact O-N 2.98Š| |||
| 28 | L | 51.6 | Low | 62.8 | Low | 179 Ų | 179 | 137.7 Ų | 137.7 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | 33.9 | 83.5 | 128.6 | -58.9 | 170.8 | 0 | 0 | 0 | 116.5 | |||||
| 29 | A | 58.7 | Low | 64 | Low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -152.1 | 82.6 | 154 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q27 A31 | Q27-A29 PolarHBondContact O-N 2.98Å; A29-A31 VanDerWaalsContact C-N 3.32Å; A29-A31 PolarHBondContact O-N 3.35Å | ||
| 30 | T | 53.1 | Low | 65 | Low | 152 Ų | 152 | 139.6 Ų | 139.6 | 93% | 0.933 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 85 | 167.9 | 37.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 31 | A | 63.9 | Low | 66.4 | Low | 80 Ų | 80 | 143.5 Ų | 143.5 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | trans | -96.8 | 135.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A29 A33 | A29-A31 VanDerWaalsContact C-N 3.32Å; A29-A31 PolarHBondContact O-N 3.35Å; A31-A33 PolarHBondContact O-N 3.37Å | ||
| 32 | P | 61.1 | Low | 68.2 | Low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -67.6 | 102.7 | 174 | 28.6 | -30.3 | 0 | 0 | 0 | 107.2 | T34 | P32-T34 PolarHBondContact O-N 3.49Š| ||
| 33 | A | 64.7 | Low | 70 | Confident | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 93.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | A31 G35 | A31-A33 PolarHBondContact O-N 3.37Å; A33-G35 PolarHBondContact O-N 3.09Å | ||
| 34 | T | 62.4 | Low | 71.6 | Confident | 136 Ų | 136 | 142.2 Ų | 142.2 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -56.5 | 92.4 | 164.4 | -47.3 | 0 | 0 | 0 | 0 | 106.2 | P32 G36 | P32-T34 PolarHBondContact O-N 3.49Å; T34-G36 PolarHBondContact O-N 3.41Å | ||
| 35 | G | 67.4 | Low | 73.3 | Confident | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | -61.2 | 107.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | A33 V37 | A33-G35 PolarHBondContact O-N 3.09Å; G35-V37 PolarHBondContact O-N 3.07Å | ||
| 36 | G | 76.7 | Confident | 75.2 | Confident | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | -50 | 135.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T34 K38 | T34-G36 PolarHBondContact O-N 3.41Å; G36-K38 PolarHBondContact O-N 3.48Å | ||
| 37 | V | 80.2 | Confident | 77.2 | Confident | 145 Ų | 145 | 125.4 Ų | 125.4 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -57 | 109.2 | 177.3 | 179 | 0 | 0 | 0 | 0 | 107.5 | G35 K39 | G35-V37 PolarHBondContact O-N 3.07Å; V37-K39 PolarHBondContact O-N 3.35Å | ||
| 38 | K | 84 | Confident | 78.9 | Confident | 188 Ų | 188 | 119 Ų | 119 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134 | 174.4 | -70.2 | -176 | 177.9 | 179.7 | 0 | 107.8 | G36 | G36-K38 PolarHBondContact O-N 3.48Š|
| 39 | K | 87.3 | Confident | 81 | Confident | 189 Ų | 189 | 112.7 Ų | 112.7 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 136.8 | 175.3 | -175.6 | 171.7 | -179.4 | 174.1 | 0 | 109.8 | V37 H41 | V37-K39 PolarHBondContact O-N 3.35Å; K39-H41 PolarHBondContact O-N 3.15Å |
| 40 | P | 89.2 | Confident | 82.9 | Confident | 105 Ų | 105 | 113.1 Ų | 113.1 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 128.5 | 177.7 | -28.5 | 35.1 | 0 | 0 | 0 | 111.1 | C42 | P40-C42 PolarHBondContact O-N 3.11Š|
| 41 | H | 89 | Confident | 85 | Confident | 144 Ų | 144 | 111.9 Ų | 111.9 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | trans | -71.3 | 115.4 | -180 | 175 | -82.7 | 0 | 0 | 0 | 109.8 | K39 Y43 | K39-H41 PolarHBondContact O-N 3.15Å; H41-Y43 AromaticContact CE1-CD1 3.6Å; H41-Y43 AromaticContact CE1-CE1 3.61Å | ||
| 42 | C | 92.5 | Very high | 86.5 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 72% | 0.723 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 129.5 | 172.1 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | P40 | P40-C42 PolarHBondContact O-N 3.11Š|
| 43 | Y | 93.7 | Very high | 88.2 | Confident | 140 Ų | 140 | 110.6 Ų | 110.6 | 55% | 0.549 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -71 | 149.9 | 171.3 | -66.6 | -76.5 | 0 | 0 | 0 | 110.9 | H41 T47 V48 | H41-Y43 AromaticContact CE1-CD1 3.6Å; H41-Y43 AromaticContact CE1-CE1 3.61Å; Y43-T47 HydrophobicContact CD1-CG2 3.85Å; Y43-T47 HydrophobicContact CG-CG2 4.35Å; Y43-V48 HydrophobicContact CD2-CG2 4.04Å; Y43-V48 HydrophobicContact CG-CG2 4.21Å |
| 44 | R | 94.6 | Very high | 89.8 | Confident | 211 Ų | 211 | 114.9 Ų | 114.9 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 146.9 | 172.1 | -65.4 | -176.7 | -180 | -171 | -0.8 | 110.1 | G46 T47 | R44-G46 PolarHBondContact O-N 3.45Å; R44-T47 VanDerWaalsContact O-CB 3.29Å; R44-T47 WeakPolarHBondContact O-CB 3.26Å; R44-T47 PolarHBondContact O-N 3.18Å; R44-T47 PolarHBondContact O-OG1 3.16Å; R44-T47 VanDerWaalsContact O-OG1 3.12Å |
| 45 | P | 96.2 | Very high | 91.4 | Very high | 135 Ų | 135 | 111.6 Ų | 111.6 | 88% | 0.877 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 140.4 | 173.2 | 23.9 | -34 | 0 | 0 | 0 | 110 | T47 | P45-T47 VanDerWaalsContact C-N 3.31Å; P45-T47 PolarHBondContact O-N 3.46Å |
| 46 | G | 96.5 | Very high | 92.8 | Very high | 42 Ų | 42 | 114 Ų | 114 | 43% | 0.433 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.4 | -21.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R44 V48 A49 L50 | R44-G46 PolarHBondContact O-N 3.45Å; G46-V48 PolarHBondContact O-N 3.07Å; G46-A49 PolarHBondContact O-N 3.4Å; G46-L50 WeakPolarHBondContact O-CG 3.37Å; G46-L50 PolarHBondContact O-N 3.38Å |
| 47 | T | 97.6 | Very high | 93.8 | Very high | 61 Ų | 61 | 118.4 Ų | 118.4 | 37% | 0.374 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66 | -43.4 | -179.3 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | Y43 R44 P45 R51 | Y43-T47 HydrophobicContact CD1-CG2 3.85Å; Y43-T47 HydrophobicContact CG-CG2 4.35Å; R44-T47 VanDerWaalsContact O-CB 3.29Å; R44-T47 WeakPolarHBondContact O-CB 3.26Å; R44-T47 PolarHBondContact O-N 3.18Å; R44-T47 PolarHBondContact O-OG1 3.16Å; R44-T47 VanDerWaalsContact O-OG1 3.12Å; P45-T47 VanDerWaalsContact C-N 3.31Å; P45-T47 PolarHBondContact O-N 3.46Å; T47-R51 PolarHBondContact O-N 3.22Å |
| 48 | V | 96.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 120.7 Ų | 120.7 | 28% | 0.279 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70 | -43.4 | 177.5 | 175 | 0 | 0 | 0 | 0 | 110.8 | Y43 G46 L50 R51 E52 | Y43-V48 HydrophobicContact CD2-CG2 4.04Å; Y43-V48 HydrophobicContact CG-CG2 4.21Å; G46-V48 PolarHBondContact O-N 3.07Å; V48-L50 PolarHBondContact O-N 2.9Å; V48-R51 WeakPolarHBondContact O-CB 3.38Å; V48-R51 PolarHBondContact O-N 3.41Å; V48-R51 VanDerWaalsContact O-N 3.09Å; V48-E52 HydrophobicContact CG1-CG 4.41Å; V48-E52 WeakPolarHBondContact CG1-OE1 3.49Å; V48-E52 PolarHBondContact O-N 3.11Å |
| 49 | A | 96.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 113.7 Ų | 113.7 | 38% | 0.38 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.3 | -47.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G46 R51 E52 I53 | G46-A49 PolarHBondContact O-N 3.4Å; A49-R51 VanDerWaalsContact C-N 3.26Å; A49-R51 PolarHBondContact O-N 3.36Å; A49-E52 PolarHBondContact O-N 3.43Å; A49-I53 VanDerWaalsContact O-CG1 3.27Å; A49-I53 WeakPolarHBondContact O-CG1 3.38Å; A49-I53 PolarHBondContact O-N 3.35Å |
| 50 | L | 97.5 | Very high | 95.5 | Very high | 102 Ų | 102 | 113 Ų | 113 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -32 | 177.5 | -70.1 | 176.1 | 0 | 0 | 0 | 112.7 | G46 V48 R54 | G46-L50 WeakPolarHBondContact O-CG 3.37Å; G46-L50 PolarHBondContact O-N 3.38Å; V48-L50 PolarHBondContact O-N 2.9Å; L50-R54 VanDerWaalsContact O-CG 3.25Å; L50-R54 WeakPolarHBondContact O-CG 3.42Å; L50-R54 PolarHBondContact O-N 3.45Å |
| 51 | R | 96.7 | Very high | 95.8 | Very high | 125 Ų | 125 | 113.6 Ų | 113.6 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.8 | -45.4 | 175.1 | -176.3 | 178.1 | 67.2 | -112.7 | 3.5 | 111.1 | T47 V48 A49 R54 S55 | T47-R51 PolarHBondContact O-N 3.22Å; V48-R51 WeakPolarHBondContact O-CB 3.38Å; V48-R51 PolarHBondContact O-N 3.41Å; V48-R51 VanDerWaalsContact O-N 3.09Å; A49-R51 VanDerWaalsContact C-N 3.26Å; A49-R51 PolarHBondContact O-N 3.36Å; R51-R54 PolarHBondContact O-N 3.31Å; R51-S55 PolarHBondContact O-N 3.45Å |
| 52 | E | 96.4 | Very high | 96.1 | Very high | 89 Ų | 89 | 112.8 Ų | 112.8 | 42% | 0.416 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -46.8 | 177.6 | -72 | 168 | -175.9 | 0 | 0 | 111.6 | V48 A49 R54 S55 Y56 | V48-E52 HydrophobicContact CG1-CG 4.41Å; V48-E52 WeakPolarHBondContact CG1-OE1 3.49Å; V48-E52 PolarHBondContact O-N 3.11Å; A49-E52 PolarHBondContact O-N 3.43Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.12Å; E52-S55 WeakPolarHBondContact O-CA 3.4Å; E52-S55 WeakPolarHBondContact O-CB 3.27Å; E52-S55 PolarHBondContact O-N 3.06Å; E52-Y56 HydrophobicContact CB-CD2 4.35Å; E52-Y56 HydrophobicContact CB-CE2 3.99Å; E52-Y56 VanDerWaalsContact O-CD2 3.22Å; E52-Y56 WeakPolarHBondContact O-CD2 3.42Å; E52-Y56 PolarHBondContact O-N 3.02Å |
| 53 | I | 97.2 | Very high | 96.2 | Very high | 86 Ų | 86 | 113.9 Ų | 113.9 | 44% | 0.441 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -55.9 | -47.2 | 177 | -68.2 | 164.9 | 0 | 0 | 0 | 111 | A49 S55 Y56 Q57 | A49-I53 VanDerWaalsContact O-CG1 3.27Å; A49-I53 WeakPolarHBondContact O-CG1 3.38Å; A49-I53 PolarHBondContact O-N 3.35Å; I53-S55 VanDerWaalsContact C-N 3.3Å; I53-S55 PolarHBondContact O-N 3.09Å; I53-Y56 PolarHBondContact O-N 2.97Å; I53-Q57 HydrophobicContact CG2-CG 4.48Å; I53-Q57 WeakPolarHBondContact O-CB 3.49Å; I53-Q57 VanDerWaalsContact O-CG 3.26Å; I53-Q57 WeakPolarHBondContact O-CG 3.27Å; I53-Q57 PolarHBondContact O-N 3.5Å |
| 54 | R | 97 | Very high | 96.2 | Very high | 186 Ų | 186 | 111.6 Ų | 111.6 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -35.4 | 177.2 | -72.1 | 172.2 | -179.2 | -177.7 | 0.7 | 112.5 | L50 R51 E52 K58 | L50-R54 VanDerWaalsContact O-CG 3.25Å; L50-R54 WeakPolarHBondContact O-CG 3.42Å; L50-R54 PolarHBondContact O-N 3.45Å; R51-R54 PolarHBondContact O-N 3.31Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.12Å; R54-K58 PolarHBondContact O-N 3.21Å |
| 55 | S | 96.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 111.4 Ų | 111.4 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -52.1 | 177.4 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | R51 E52 I53 Q57 K58 S59 | R51-S55 PolarHBondContact O-N 3.45Å; E52-S55 WeakPolarHBondContact O-CA 3.4Å; E52-S55 WeakPolarHBondContact O-CB 3.27Å; E52-S55 PolarHBondContact O-N 3.06Å; I53-S55 VanDerWaalsContact C-N 3.3Å; I53-S55 PolarHBondContact O-N 3.09Å; S55-Q57 VanDerWaalsContact C-N 3.32Å; S55-Q57 PolarHBondContact O-N 3.47Å; S55-K58 WeakPolarHBondContact O-CB 3.45Å; S55-K58 PolarHBondContact O-N 3.38Å; S55-S59 PolarHBondContact O-N 3.32Å; S55-S59 VanDerWaalsContact O-N 3.11Å; S55-S59 PolarHBondContact O-OG 3.42Å |
| 56 | Y | 96.7 | Very high | 96.3 | Very high | 116 Ų | 116 | 112.7 Ų | 112.7 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -27.1 | -178.5 | -63.7 | -47.8 | 0 | 0 | 0 | 113.7 | E52 I53 K58 L63 | E52-Y56 HydrophobicContact CB-CD2 4.35Å; E52-Y56 HydrophobicContact CB-CE2 3.99Å; E52-Y56 VanDerWaalsContact O-CD2 3.22Å; E52-Y56 WeakPolarHBondContact O-CD2 3.42Å; E52-Y56 PolarHBondContact O-N 3.02Å; I53-Y56 PolarHBondContact O-N 2.97Å; Y56-K58 VanDerWaalsContact C-N 3.27Å; Y56-L63 HydrophobicContact CD1-CD2 3.55Å; Y56-L63 HydrophobicContact CE1-CD2 3.62Å; Y56-L63 HydrophobicContact CG-CD2 4.11Å |
| 57 | Q | 96.8 | Very high | 96.2 | Very high | 157 Ų | 157 | 115.6 Ų | 115.6 | 73% | 0.734 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.1 | -21.2 | 172 | -74.4 | -179.8 | -13.1 | 0 | 0 | 113.1 | I53 S55 | I53-Q57 HydrophobicContact CG2-CG 4.48Å; I53-Q57 WeakPolarHBondContact O-CB 3.49Å; I53-Q57 VanDerWaalsContact O-CG 3.26Å; I53-Q57 WeakPolarHBondContact O-CG 3.27Å; I53-Q57 PolarHBondContact O-N 3.5Å; S55-Q57 VanDerWaalsContact C-N 3.32Å; S55-Q57 PolarHBondContact O-N 3.47Å |
| 58 | K | 97.3 | Very high | 96.2 | Very high | 194 Ų | 194 | 116.2 Ų | 116.2 | 84% | 0.843 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -88.5 | -32.6 | 178.6 | -171.9 | 178.3 | 179.6 | -176.9 | 0 | 112.2 | R54 S55 Y56 | R54-K58 PolarHBondContact O-N 3.21Å; S55-K58 WeakPolarHBondContact O-CB 3.45Å; S55-K58 PolarHBondContact O-N 3.38Å; Y56-K58 VanDerWaalsContact C-N 3.27Å |
| 59 | S | 95.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 119.9 Ų | 119.9 | 29% | 0.287 | 58% | 0.577 | S | S | . | * | trans | -96.5 | 170.5 | 177.6 | 68 | 0 | 0 | 0 | 0 | 111.9 | S55 E61 | S55-S59 PolarHBondContact O-N 3.32Å; S55-S59 VanDerWaalsContact O-N 3.11Å; S55-S59 PolarHBondContact O-OG 3.42Å; S59-E61 PolarHBondContact OG-OE1 3.35Å | ||
| 60 | I | 96.1 | Very high | 96.2 | Very high | 175 Ų | 175 | 124.1 Ų | 124.1 | 90% | 0.897 | 58% | 0.583 | S | S | * | * | trans | -124.3 | 22.8 | 174.5 | 59.5 | 163.5 | 0 | 0 | 0 | 111.4 | ||||
| 61 | E | 94.3 | Very high | 96.1 | Very high | 116 Ų | 116 | 124.5 Ų | 124.5 | 54% | 0.542 | 58% | 0.582 | S | S | . | * | trans | -71 | 151 | -175 | 70.2 | -168.6 | 151.4 | 0 | 0 | 112.1 | S59 L63 | S59-E61 PolarHBondContact OG-OE1 3.35Å; E61-L63 PolarHBondContact O-N 2.92Å | ||
| 62 | L | 95 | Very high | 96.1 | Very high | 127 Ų | 127 | 122.5 Ų | 122.5 | 67% | 0.665 | 58% | 0.58 | S | S | * | * | trans | -69.4 | 121.2 | 175.7 | -63.3 | 175.3 | 0 | 0 | 0 | 109.6 | V64 K66 | L62-V64 VanDerWaalsContact C-N 3.28Å; L62-V64 PolarHBondContact O-N 3.24Å; L62-K66 HydrophobicContact CD1-CG 4.16Å | ||
| 63 | L | 94.6 | Very high | 96.1 | Very high | 130 Ų | 130 | 121.9 Ų | 121.9 | 68% | 0.681 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -71.8 | -24 | 178.2 | -56.7 | -175.5 | 0 | 0 | 0 | 112.8 | Y56 E61 | Y56-L63 HydrophobicContact CD1-CD2 3.55Å; Y56-L63 HydrophobicContact CE1-CD2 3.62Å; Y56-L63 HydrophobicContact CG-CD2 4.11Å; E61-L63 PolarHBondContact O-N 2.92Å |
| 64 | V | 94.9 | Very high | 96.1 | Very high | 93 Ų | 93 | 125 Ų | 125 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -106.3 | 134.7 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | L62 F69 | L62-V64 VanDerWaalsContact C-N 3.28Å; L62-V64 PolarHBondContact O-N 3.24Å; V64-F69 HydrophobicContact CG1-CB 4.29Å |
| 65 | R | 96.1 | Very high | 96 | Very high | 206 Ų | 206 | 122.4 Ų | 122.4 | 78% | 0.777 | 59% | 0.585 | S | S | * | * | trans | -63.3 | 141.8 | 176.1 | -69.1 | -175.3 | 178.3 | 177.8 | 0.3 | 110.7 | L67 P68 F69 | R65-L67 PolarHBondContact O-N 3.06Å; R65-P68 HydrophobicContact CB-CG 4.14Å; R65-P68 WeakPolarHBondContact O-CD 3.22Å; R65-F69 PolarHBondContact O-N 3.39Å | ||
| 66 | K | 95.9 | Very high | 96.1 | Very high | 162 Ų | 162 | 123.4 Ų | 123.4 | 70% | 0.704 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.2 | -40.6 | -177.1 | -65.4 | -173.7 | 178.5 | -175.5 | 0 | 114 | L62 F69 R70 | L62-K66 HydrophobicContact CD1-CG 4.16Å; K66-F69 PolarHBondContact O-N 2.91Å; K66-R70 WeakPolarHBondContact O-CB 3.19Å; K66-R70 PolarHBondContact O-N 3.04Å |
| 67 | L | 95.5 | Very high | 96 | Very high | 104 Ų | 104 | 120.8 Ų | 120.8 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.5 | -51.5 | -174.2 | 178.9 | 66.7 | 0 | 0 | 0 | 112.6 | R65 F69 R70 H71 | R65-L67 PolarHBondContact O-N 3.06Å; L67-F69 VanDerWaalsContact C-N 3.3Å; L67-F69 PolarHBondContact O-N 3.45Å; L67-R70 WeakPolarHBondContact O-CB 3.38Å; L67-R70 PolarHBondContact O-N 3.42Å; L67-H71 WeakPolarHBondContact CD1-NE2 3.35Å; L67-H71 PolarHBondContact O-CD2 3.45Å; L67-H71 PolarHBondContact O-N 3.03Å; L67-H71 VanDerWaalsContact O-N 3.11Å |
| 68 | P | 96.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 120.8 Ų | 120.8 | 48% | 0.481 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -56.2 | -42.1 | 172.3 | -26.2 | 34.4 | 0 | 0 | 0 | 113.2 | R65 R70 H71 L72 | R65-P68 HydrophobicContact CB-CG 4.14Å; R65-P68 WeakPolarHBondContact O-CD 3.22Å; P68-R70 PolarHBondContact O-N 3.02Å; P68-H71 PolarHBondContact O-N 3.48Å; P68-L72 PolarHBondContact O-N 3.24Å; P68-L72 VanDerWaalsContact O-N 3.15Å |
| 69 | F | 97.3 | Very high | 95.7 | Very high | 123 Ų | 123 | 117.9 Ų | 117.9 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 178.5 | -172.8 | -107.6 | 0 | 0 | 0 | 112.3 | V64 R65 K66 L67 H71 L72 V73 | V64-F69 HydrophobicContact CG1-CB 4.29Å; R65-F69 PolarHBondContact O-N 3.39Å; K66-F69 PolarHBondContact O-N 2.91Å; L67-F69 VanDerWaalsContact C-N 3.3Å; L67-F69 PolarHBondContact O-N 3.45Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 3.11Å; F69-L72 PolarHBondContact O-N 3.46Å; F69-V73 HydrophobicContact CD1-CG2 4.38Å; F69-V73 HydrophobicContact CE1-CG2 4.09Å; F69-V73 HydrophobicContact CZ-CG2 4.32Å; F69-V73 WeakPolarHBondContact O-CG2 3.26Å; F69-V73 PolarHBondContact O-N 3.24Å |
| 70 | R | 95.4 | Very high | 95.4 | Very high | 135 Ų | 135 | 126.5 Ų | 126.5 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.7 | -38.7 | 173.5 | 175.3 | -176.4 | 171.1 | -168.1 | 0.7 | 112.4 | K66 L67 P68 V73 R74 | K66-R70 WeakPolarHBondContact O-CB 3.19Å; K66-R70 PolarHBondContact O-N 3.04Å; L67-R70 WeakPolarHBondContact O-CB 3.38Å; L67-R70 PolarHBondContact O-N 3.42Å; P68-R70 PolarHBondContact O-N 3.02Å; R70-V73 PolarHBondContact O-N 3.35Å; R70-R74 WeakPolarHBondContact O-CG 3.4Å; R70-R74 PolarHBondContact O-N 3.35Å; R70-R74 VanDerWaalsContact O-N 3.16Å |
| 71 | H | 96.9 | Very high | 95.4 | Very high | 109 Ų | 109 | 124.1 Ų | 124.1 | 51% | 0.505 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.4 | -45.8 | 176.9 | -72.4 | -66.2 | 0 | 0 | 0 | 111.1 | L67 P68 F69 V73 R74 E75 | L67-H71 WeakPolarHBondContact CD1-NE2 3.35Å; L67-H71 PolarHBondContact O-CD2 3.45Å; L67-H71 PolarHBondContact O-N 3.03Å; L67-H71 VanDerWaalsContact O-N 3.11Å; P68-H71 PolarHBondContact O-N 3.48Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 3.11Å; H71-V73 VanDerWaalsContact C-N 3.35Å; H71-V73 PolarHBondContact O-N 2.92Å; H71-R74 WeakPolarHBondContact O-CB 3.29Å; H71-R74 PolarHBondContact O-N 3.41Å; H71-R74 VanDerWaalsContact O-N 3.11Å; H71-E75 PolarHBondContact O-N 3.46Å |
| 72 | L | 96.1 | Very high | 95.4 | Very high | 83 Ų | 83 | 124.5 Ų | 124.5 | 44% | 0.435 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.5 | -43.9 | 175.7 | -179.5 | 66 | 0 | 0 | 0 | 112.5 | P68 F69 R74 E75 I76 | P68-L72 PolarHBondContact O-N 3.24Å; P68-L72 VanDerWaalsContact O-N 3.15Å; F69-L72 PolarHBondContact O-N 3.46Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 3.22Å; L72-E75 PolarHBondContact O-N 2.94Å; L72-I76 HydrophobicContact CD1-CD1 4.16Å; L72-I76 HydrophobicContact CG-CD1 4.04Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 2.75Å; L72-I76 VanDerWaalsContact O-N 3.1Å |
| 73 | V | 96.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 124.4 Ų | 124.4 | 47% | 0.467 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.4 | -36.7 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | F69 R70 H71 A77 | F69-V73 HydrophobicContact CD1-CG2 4.38Å; F69-V73 HydrophobicContact CE1-CG2 4.09Å; F69-V73 HydrophobicContact CZ-CG2 4.32Å; F69-V73 WeakPolarHBondContact O-CG2 3.26Å; F69-V73 PolarHBondContact O-N 3.24Å; R70-V73 PolarHBondContact O-N 3.35Å; H71-V73 VanDerWaalsContact C-N 3.35Å; H71-V73 PolarHBondContact O-N 2.92Å; V73-A77 VanDerWaalsContact O-CB 3.27Å; V73-A77 WeakPolarHBondContact O-CB 3.48Å; V73-A77 PolarHBondContact O-N 3.06Å; V73-A77 VanDerWaalsContact O-N 3.09Å |
| 74 | R | 96.9 | Very high | 95.5 | Very high | 151 Ų | 151 | 124.1 Ų | 124.1 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.8 | -37.6 | 178.2 | -74.5 | 179.1 | 167.4 | -138.3 | -9.1 | 113 | R70 H71 L72 A77 Q78 | R70-R74 WeakPolarHBondContact O-CG 3.4Å; R70-R74 PolarHBondContact O-N 3.35Å; R70-R74 VanDerWaalsContact O-N 3.16Å; H71-R74 WeakPolarHBondContact O-CB 3.29Å; H71-R74 PolarHBondContact O-N 3.41Å; H71-R74 VanDerWaalsContact O-N 3.11Å; L72-R74 VanDerWaalsContact C-N 3.26Å; L72-R74 PolarHBondContact O-N 3.22Å; R74-A77 PolarHBondContact O-N 3.44Å; R74-Q78 PolarHBondContact O-N 3.02Å |
| 75 | E | 95.8 | Very high | 95.5 | Very high | 132 Ų | 132 | 126 Ų | 126 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.8 | -52.2 | 174.8 | -176.9 | -178 | 167.1 | 0 | 0 | 110.3 | H71 L72 A77 Q78 | H71-E75 PolarHBondContact O-N 3.46Å; L72-E75 PolarHBondContact O-N 2.94Å; E75-A77 VanDerWaalsContact C-N 3.34Å; E75-A77 PolarHBondContact O-N 3.31Å; E75-Q78 WeakPolarHBondContact O-CB 3.36Å; E75-Q78 PolarHBondContact O-N 3.27Å; E75-Q78 VanDerWaalsContact O-N 3.13Å |
| 76 | I | 96.9 | Very high | 95.5 | Very high | 86 Ų | 86 | 120.7 Ų | 120.7 | 44% | 0.441 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.2 | -42.6 | 178.7 | -63.2 | 167 | 0 | 0 | 0 | 111.2 | L72 Q78 D79 F80 | L72-I76 HydrophobicContact CD1-CD1 4.16Å; L72-I76 HydrophobicContact CG-CD1 4.04Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 2.75Å; L72-I76 VanDerWaalsContact O-N 3.1Å; I76-Q78 PolarHBondContact O-N 2.92Å; I76-D79 PolarHBondContact O-N 2.87Å; I76-F80 HydrophobicContact CG2-CD2 4.32Å; I76-F80 HydrophobicContact CG2-CE2 3.96Å; I76-F80 VanDerWaalsContact O-CD2 3.26Å; I76-F80 WeakPolarHBondContact O-CD2 3.25Å |
| 77 | A | 96 | Very high | 95.4 | Very high | 62 Ų | 62 | 117.7 Ų | 117.7 | 51% | 0.512 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V73 R74 E75 | V73-A77 VanDerWaalsContact O-CB 3.27Å; V73-A77 WeakPolarHBondContact O-CB 3.48Å; V73-A77 PolarHBondContact O-N 3.06Å; V73-A77 VanDerWaalsContact O-N 3.09Å; R74-A77 PolarHBondContact O-N 3.44Å; E75-A77 VanDerWaalsContact C-N 3.34Å; E75-A77 PolarHBondContact O-N 3.31Å |
| 78 | Q | 93.2 | Very high | 95.4 | Very high | 157 Ų | 157 | 118.8 Ų | 118.8 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -23.1 | 176.1 | -173.5 | 61.1 | 49.2 | 0 | 0 | 112.2 | R74 E75 I76 | R74-Q78 PolarHBondContact O-N 3.02Å; E75-Q78 WeakPolarHBondContact O-CB 3.36Å; E75-Q78 PolarHBondContact O-N 3.27Å; E75-Q78 VanDerWaalsContact O-N 3.13Å; I76-Q78 PolarHBondContact O-N 2.92Å |
| 79 | D | 93.1 | Very high | 95.3 | Very high | 132 Ų | 132 | 122.5 Ų | 122.5 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -86.1 | -5.4 | -178.4 | -65 | -37.2 | 0 | 0 | 0 | 113.5 | I76 | I76-D79 PolarHBondContact O-N 2.87Š| ||
| 80 | F | 89.8 | Confident | 95.2 | Very high | 223 Ų | 223 | 122.5 Ų | 122.5 | 98% | 0.978 | 59% | 0.588 | S | S | * | * | trans | -123.3 | 0 | -179.5 | -64.1 | -78.1 | 0 | 0 | 0 | 111.5 | I76 | I76-F80 HydrophobicContact CG2-CD2 4.32Å; I76-F80 HydrophobicContact CG2-CE2 3.96Å; I76-F80 VanDerWaalsContact O-CD2 3.26Å; I76-F80 WeakPolarHBondContact O-CD2 3.25Å |
Retrieved 80 of 80 residues in 75.5 ms
(Link to these results)