| 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 | 51.5 | Low | 47.6 | Very low | 246 Ų | 246 | 142.4 Ų | 142.4 | 100% | 1.212 | 85% | 0.852 | S | S | * | * | 0 | 107.6 | 0 | -72.3 | -118.8 | -82.4 | 0 | 0 | 106.6 | |||||
| 2 | G | 58.5 | Low | 46.8 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 76% | 0.763 | 85% | 0.845 | S | S | * | * | trans | -76.7 | 149 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | C | 51.6 | Low | 46.8 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 91% | 0.912 | 85% | 0.846 | S | S | * | * | trans | -126.4 | 110.1 | 158.1 | -76.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | C | 46.9 | Very low | 46.4 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 87% | 0.872 | 85% | 0.848 | S | S | * | * | trans | -72.5 | 129.1 | 171.4 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 5 | Y | 45.7 | Very low | 46 | Very low | 219 Ų | 219 | 153 Ų | 153 | 86% | 0.859 | 85% | 0.851 | S | S | * | * | trans | -108.5 | 105.4 | 163.7 | -163.8 | -94.5 | 0 | 0 | 0 | 107.6 | G7 | Y5-G7 PolarHBondContact O-N 3.43Š| ||
| 6 | S | 55.5 | Low | 46 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -85.4 | 99.4 | 165.7 | -68.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 7 | G | 45.6 | Very low | 45.8 | Very low | 51 Ų | 51 | 150.1 Ų | 150.1 | 53% | 0.526 | 83% | 0.833 | S | S | . | * | trans | -102 | 118.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y5 | Y5-G7 PolarHBondContact O-N 3.43Š| ||
| 8 | E | 44.4 | Very low | 45.9 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | trans | -62.7 | 129 | 176.3 | -173.9 | 154.5 | 118.5 | 0 | 0 | 110.8 | G10 | E8-G10 PolarHBondContact O-N 3.45Š| ||
| 9 | D | 47 | Very low | 46.3 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -68.5 | 109.2 | 176.7 | -78.3 | -47.1 | 0 | 0 | 0 | 111 | ||||
| 10 | G | 35.2 | Very low | 46.6 | Very low | 72 Ų | 72 | 149.5 Ų | 149.5 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -111.2 | 91.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E8 S12 | E8-G10 PolarHBondContact O-N 3.45Å; G10-S12 PolarHBondContact O-N 3.47Å; G10-S12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | N | 42.2 | Very low | 47.2 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -55.6 | 106.4 | 178.9 | 176.6 | 36.9 | 0 | 0 | 0 | 113.3 | ||||
| 12 | S | 37.4 | Very low | 47.4 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -149.7 | 110.9 | 145.6 | 56.3 | 0 | 0 | 0 | 0 | 110 | G10 E14 | G10-S12 PolarHBondContact O-N 3.47Å; G10-S12 VanDerWaalsContact O-N 3.12Å; S12-E14 PolarHBondContact O-N 3.39Å | ||
| 13 | R | 47 | Very low | 47.3 | Very low | 229 Ų | 229 | 146.3 Ų | 146.3 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -39.7 | 127 | 170.7 | -67.2 | 153.9 | 83.6 | 169.2 | 5.3 | 111.5 | ||||
| 14 | E | 41.5 | Very low | 47.5 | Very low | 186 Ų | 186 | 145.7 Ų | 145.7 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | -173.8 | 117 | 129.8 | -99.2 | 162.2 | -157.6 | 0 | 0 | 107.9 | S12 P16 | S12-E14 PolarHBondContact O-N 3.39Å; E14-P16 WeakPolarHBondContact O-CD 3.19Å | |||
| 15 | K | 40.3 | Very low | 47.7 | Very low | 205 Ų | 205 | 147.7 Ų | 147.7 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 116 | 179.5 | -171.9 | -174 | -175.4 | -170 | 0 | 106.4 | E17 | K15-E17 PolarHBondContact O-N 3.31Š|
| 16 | P | 44.9 | Very low | 48.1 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 122.3 | 173.7 | -3.7 | 20.9 | 0 | 0 | 0 | 107.5 | E14 | E14-P16 WeakPolarHBondContact O-CD 3.19Š|
| 17 | E | 44.1 | Very low | 47.6 | Very low | 145 Ų | 145 | 144 Ų | 144 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.7 | 166.6 | -79.1 | -141.8 | 146.8 | 0 | 0 | 109.6 | K15 T19 D20 | K15-E17 PolarHBondContact O-N 3.31Å; E17-T19 PolarHBondContact O-N 2.88Å; E17-T19 PolarHBondContact OE2-OG1 2.62Å; E17-D20 PolarHBondContact O-N 3.24Å |
| 18 | E | 47.7 | Very low | 47.7 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 13.9 | 178.4 | -65.2 | -177.8 | 132.1 | 0 | 0 | 113.7 | ||
| 19 | T | 53.4 | Low | 47.9 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 11.6 | -175.3 | 25.4 | 0 | 0 | 0 | 0 | 113.6 | E17 P21 | E17-T19 PolarHBondContact O-N 2.88Å; E17-T19 PolarHBondContact OE2-OG1 2.62Å; T19-P21 WeakPolarHBondContact O-CD 3.36Å |
| 20 | D | 52.2 | Low | 47.7 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | trans | -82.1 | 118.6 | 170.4 | -94.1 | -23.9 | 0 | 0 | 0 | 111.1 | E17 L22 | E17-D20 PolarHBondContact O-N 3.24Å; D20-L22 PolarHBondContact O-N 3.31Å | ||
| 21 | P | 58.3 | Low | 47.7 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 60% | 0.597 | 79% | 0.785 | S | S | * | * | trans | -63.9 | 126.3 | 175.3 | -17.2 | 30.4 | 0 | 0 | 0 | 110.4 | T19 I23 | T19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-I23 PolarHBondContact O-N 2.96Å | ||
| 22 | L | 56.9 | Low | 48.1 | Very low | 178 Ų | 178 | 146 Ų | 146 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -67.5 | 8.5 | 178.9 | -65.3 | 172.3 | 0 | 0 | 0 | 114.5 | D20 | D20-L22 PolarHBondContact O-N 3.31Š|
| 23 | I | 55.3 | Low | 48.4 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -137.1 | 117.9 | -175.9 | -49.7 | 178.7 | 0 | 0 | 0 | 109.1 | P21 H25 | P21-I23 PolarHBondContact O-N 2.96Å; I23-H25 PolarHBondContact O-N 2.9Å |
| 24 | P | 56.7 | Low | 47.8 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 129.4 | 171.8 | -15.6 | 29.2 | 0 | 0 | 0 | 110.6 | ||||
| 25 | H | 51.1 | Low | 48 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | trans | -62.2 | 138.4 | 177 | -71.4 | -65.1 | 0 | 0 | 0 | 111.8 | I23 N27 | I23-H25 PolarHBondContact O-N 2.9Å; H25-N27 PolarHBondContact O-N 3.03Å | ||
| 26 | P | 53.9 | Low | 47.9 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -86.8 | 7.4 | -165.7 | -3 | 21.6 | 0 | 0 | 0 | 116.2 | ||
| 27 | N | 44.6 | Very low | 48 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -141.7 | 110.2 | -170.5 | -96.7 | -26.3 | 0 | 0 | 0 | 114.1 | H25 | H25-N27 PolarHBondContact O-N 3.03Š| ||
| 28 | P | 48.6 | Very low | 47.6 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -84.7 | 127.9 | 153.3 | 31.2 | -26.2 | 0 | 0 | 0 | 110.4 | ||||
| 29 | V | 46.8 | Very low | 47.5 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -67.7 | 127.7 | -180 | 162.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 30 | S | 44.7 | Very low | 47.1 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 42.9 | 119.6 | 145.1 | -57.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 31 | K | 34.8 | Very low | 47.3 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | -172.3 | 133.4 | 121.6 | -126.7 | 174.6 | -177.2 | 176 | 0 | 113.2 | |||||
| 32 | P | 49.2 | Very low | 46.7 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -97.3 | 149.7 | 163.1 | 35.8 | -27.1 | 0 | 0 | 0 | 110.9 | ||||
| 33 | P | 45 | Very low | 46.1 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -142.3 | 129 | 133.2 | 31.8 | -14.3 | 0 | 0 | 0 | 113.7 | ||||
| 34 | N | 34.1 | Very low | 45.8 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | 43.3 | 128.5 | 138.5 | -141.8 | 22.8 | 0 | 0 | 0 | 121.3 | ||||
| 35 | G | 46.7 | Very low | 45.8 | Very low | 63 Ų | 63 | 131.1 Ų | 131.1 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -84.1 | 168.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 36 | T | 38 | Very low | 46 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -160.5 | 162.2 | 151.8 | -40.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 37 | E | 45.7 | Very low | 46.2 | Very low | 163 Ų | 163 | 127.2 Ų | 127.2 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -120.6 | 135.7 | -139.8 | 11.7 | -173.4 | 168.3 | 0 | 0 | 113.8 | ||||
| 38 | W | 36.3 | Very low | 47 | Very low | 218 Ų | 218 | 125.1 Ų | 125.1 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 64.7 | 158.7 | 150.3 | -68.5 | 73.4 | 0 | 0 | 0 | 121.5 | ||||
| 39 | P | 46 | Very low | 48.2 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | cis | -134 | 169 | 12.8 | 35.3 | -13.1 | 0 | 0 | 0 | 119 | ||||
| 40 | T | 43.6 | Very low | 50 | Low | 110 Ų | 110 | 121.2 Ų | 121.2 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | -41.9 | 178.1 | 170.6 | 13.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 41 | P | 58.2 | Low | 52.1 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | cis | -134.5 | 156.7 | -21 | 35.1 | -16.6 | 0 | 0 | 0 | 114.9 | ||||
| 42 | G | 44.8 | Very low | 54.8 | Low | 71 Ų | 71 | 114.9 Ų | 114.9 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | trans | 100.4 | 103.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 43 | V | 45 | Very low | 56.9 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | -154.3 | 118.2 | 127.6 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | S45 | V43-S45 PolarHBondContact O-N 3.13Å; V43-S45 VanDerWaalsContact O-N 3.13Å | |||
| 44 | P | 47.8 | Very low | 59.3 | Low | 121 Ų | 121 | 113 Ų | 113 | 79% | 0.786 | 68% | 0.684 | S | S | * | * | trans | -75 | 99 | 163.9 | 26.9 | -22.3 | 0 | 0 | 0 | 107.5 | ||||
| 45 | S | 56.5 | Low | 62.2 | Low | 92 Ų | 92 | 108.8 Ų | 108.8 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | trans | -57.9 | 135.8 | 160.8 | 53.1 | 0 | 0 | 0 | 0 | 107.8 | V43 P47 | V43-S45 PolarHBondContact O-N 3.13Å; V43-S45 VanDerWaalsContact O-N 3.13Å; S45-P47 VanDerWaalsContact O-CD 3.3Å; S45-P47 WeakPolarHBondContact O-CD 3.49Å | ||
| 46 | P | 56.2 | Low | 64.6 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | -57.6 | 119.9 | -173.6 | 22.8 | -31.5 | 0 | 0 | 0 | 109.2 | T48 | P46-T48 PolarHBondContact O-N 3.31Š| ||
| 47 | P | 58.2 | Low | 67.4 | Low | 103 Ų | 103 | 106.4 Ų | 106.4 | 67% | 0.669 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 8.5 | -177.9 | 27.3 | -33.9 | 0 | 0 | 0 | 113.5 | S45 Q51 | S45-P47 VanDerWaalsContact O-CD 3.3Å; S45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-Q51 VanDerWaalsContact O-CG 3.28Å; P47-Q51 WeakPolarHBondContact O-CG 3.35Å |
| 48 | T | 61.8 | Low | 69.8 | Low | 101 Ų | 101 | 104.6 Ų | 104.6 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -79.8 | -34.5 | -165.7 | -46 | 0 | 0 | 0 | 0 | 113.3 | P46 A52 | P46-T48 PolarHBondContact O-N 3.31Å; T48-A52 VanDerWaalsContact O-CB 3.25Å; T48-A52 WeakPolarHBondContact O-CB 3.46Å; T48-A52 PolarHBondContact O-N 3.45Å |
| 49 | D | 73 | Confident | 72.7 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.7 | -46.3 | -172.2 | -169.1 | 27.1 | 0 | 0 | 0 | 112.9 | Q51 A52 L53 | D49-Q51 VanDerWaalsContact C-N 3.32Å; D49-Q51 PolarHBondContact O-N 3.41Å; D49-A52 PolarHBondContact O-N 3.37Å; D49-L53 PolarHBondContact O-N 3.47Å |
| 50 | G | 84.9 | Confident | 75.1 | Confident | 46 Ų | 46 | 98.3 Ų | 98.3 | 47% | 0.474 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.9 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L54 | G50-L54 VanDerWaalsContact O-CG 3.31Å; G50-L54 WeakPolarHBondContact O-CG 3.49Å; G50-L54 PolarHBondContact O-N 2.97Å; G50-L54 VanDerWaalsContact O-N 3.14Å |
| 51 | Q | 88.4 | Confident | 77.7 | Confident | 119 Ų | 119 | 96.2 Ų | 96.2 | 56% | 0.556 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.3 | -36.1 | 176.1 | -68.2 | -64.1 | -26.4 | 0 | 0 | 112.2 | P47 D49 T55 | P47-Q51 VanDerWaalsContact O-CG 3.28Å; P47-Q51 WeakPolarHBondContact O-CG 3.35Å; D49-Q51 VanDerWaalsContact C-N 3.32Å; D49-Q51 PolarHBondContact O-N 3.41Å; Q51-T55 WeakPolarHBondContact O-CB 3.45Å; Q51-T55 PolarHBondContact O-N 3.43Å; Q51-T55 PolarHBondContact O-OG1 3.17Å |
| 52 | A | 90.9 | Very high | 79.5 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 45% | 0.446 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T48 D49 T55 S56 | T48-A52 VanDerWaalsContact O-CB 3.25Å; T48-A52 WeakPolarHBondContact O-CB 3.46Å; T48-A52 PolarHBondContact O-N 3.45Å; D49-A52 PolarHBondContact O-N 3.37Å; A52-T55 PolarHBondContact O-N 2.95Å; A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3.19Å |
| 53 | L | 94.1 | Very high | 81.9 | Confident | 107 Ų | 107 | 97.9 Ų | 97.9 | 56% | 0.56 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.8 | -47.6 | 175.1 | -179.3 | 64 | 0 | 0 | 0 | 111.6 | D49 T55 S56 I57 | D49-L53 PolarHBondContact O-N 3.47Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 PolarHBondContact O-N 3.31Å; L53-S56 WeakPolarHBondContact O-CB 3.34Å; L53-S56 PolarHBondContact O-N 2.82Å; L53-I57 HydrophobicContact CD1-CD1 4.42Å; L53-I57 HydrophobicContact CG-CD1 4.09Å; L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.26Å |
| 54 | L | 95.5 | Very high | 84.3 | Confident | 93 Ų | 93 | 97 Ų | 97 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.1 | -39.1 | 176.6 | -68.1 | 173.2 | 0 | 0 | 0 | 111.8 | G50 I57 L58 | G50-L54 VanDerWaalsContact O-CG 3.31Å; G50-L54 WeakPolarHBondContact O-CG 3.49Å; G50-L54 PolarHBondContact O-N 2.97Å; G50-L54 VanDerWaalsContact O-N 3.14Å; L54-I57 PolarHBondContact O-N 3.45Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 2.9Å |
| 55 | T | 95.3 | Very high | 86.6 | Confident | 80 Ų | 80 | 96.8 Ų | 96.8 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -40.6 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | Q51 A52 L53 L58 T59 | Q51-T55 WeakPolarHBondContact O-CB 3.45Å; Q51-T55 PolarHBondContact O-N 3.43Å; Q51-T55 PolarHBondContact O-OG1 3.17Å; A52-T55 PolarHBondContact O-N 2.95Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 PolarHBondContact O-N 3.31Å; T55-L58 PolarHBondContact O-N 2.96Å; T55-T59 WeakPolarHBondContact O-CB 3.48Å; T55-T59 PolarHBondContact O-N 3.23Å; T55-T59 PolarHBondContact O-OG1 3.43Å |
| 56 | S | 96.1 | Very high | 88.3 | Confident | 71 Ų | 71 | 99.2 Ų | 99.2 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -43.9 | 175.2 | -177 | 0 | 0 | 0 | 0 | 111.5 | A52 L53 T59 K60 | A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3.19Å; L53-S56 WeakPolarHBondContact O-CB 3.34Å; L53-S56 PolarHBondContact O-N 2.82Å; S56-T59 PolarHBondContact O-N 3.07Å; S56-K60 VanDerWaalsContact O-CB 3.23Å; S56-K60 WeakPolarHBondContact O-CB 3.45Å; S56-K60 PolarHBondContact O-N 3.2Å |
| 57 | I | 96.3 | Very high | 89.9 | Confident | 86 Ų | 86 | 99 Ų | 99 | 44% | 0.441 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.1 | -48.8 | 176.5 | -68.4 | 164.7 | 0 | 0 | 0 | 110.3 | L53 L54 T59 K60 T61 | L53-I57 HydrophobicContact CD1-CD1 4.42Å; L53-I57 HydrophobicContact CG-CD1 4.09Å; L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.26Å; L54-I57 PolarHBondContact O-N 3.45Å; I57-T59 PolarHBondContact O-N 3.28Å; I57-K60 PolarHBondContact O-N 3.33Å; I57-T61 WeakPolarHBondContact O-CB 3.49Å; I57-T61 PolarHBondContact O-N 3.45Å; I57-T61 PolarHBondContact O-OG1 3.33Å |
| 58 | L | 97.4 | Very high | 91.4 | Very high | 125 Ų | 125 | 100.5 Ų | 100.5 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.6 | -43.6 | 178.6 | -70.9 | 172.9 | 0 | 0 | 0 | 112 | L54 T55 T61 A62 | L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 2.9Å; T55-L58 PolarHBondContact O-N 2.96Å; L58-T61 PolarHBondContact O-N 2.62Å; L58-A62 VanDerWaalsContact O-CB 3.32Å; L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.46Å |
| 59 | T | 96.5 | Very high | 92.7 | Very high | 69 Ų | 69 | 99.4 Ų | 99.4 | 42% | 0.423 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.6 | -47.2 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | T55 S56 I57 T61 A62 Q63 | T55-T59 WeakPolarHBondContact O-CB 3.48Å; T55-T59 PolarHBondContact O-N 3.23Å; T55-T59 PolarHBondContact O-OG1 3.43Å; S56-T59 PolarHBondContact O-N 3.07Å; I57-T59 PolarHBondContact O-N 3.28Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 3.38Å; T59-A62 PolarHBondContact O-N 3.42Å; T59-Q63 VanDerWaalsContact O-CG 3.31Å; T59-Q63 WeakPolarHBondContact O-CG 3.42Å; T59-Q63 PolarHBondContact O-N 2.92Å |
| 60 | K | 96.7 | Very high | 92.9 | Very high | 133 Ų | 133 | 95.9 Ų | 95.9 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -39.5 | 177.5 | -177.1 | 174.2 | -178.6 | 178.9 | 0 | 111.3 | S56 I57 Q63 N64 | S56-K60 VanDerWaalsContact O-CB 3.23Å; S56-K60 WeakPolarHBondContact O-CB 3.45Å; S56-K60 PolarHBondContact O-N 3.2Å; I57-K60 PolarHBondContact O-N 3.33Å; K60-Q63 PolarHBondContact O-N 2.84Å; K60-N64 WeakPolarHBondContact O-CB 3.44Å; K60-N64 PolarHBondContact O-N 3.21Å; K60-N64 VanDerWaalsContact O-N 3.13Å; K60-N64 PolarHBondContact O-ND2 2.94Å; K60-N64 VanDerWaalsContact O-ND2 3.11Å |
| 61 | T | 97.5 | Very high | 92.3 | Very high | 66 Ų | 66 | 98.2 Ų | 98.2 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.3 | -46.2 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | I57 L58 T59 Q63 N64 I65 | I57-T61 WeakPolarHBondContact O-CB 3.49Å; I57-T61 PolarHBondContact O-N 3.45Å; I57-T61 PolarHBondContact O-OG1 3.33Å; L58-T61 PolarHBondContact O-N 2.62Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 3.38Å; T61-Q63 VanDerWaalsContact C-N 3.26Å; T61-Q63 PolarHBondContact O-N 3.38Å; T61-N64 PolarHBondContact O-N 2.96Å; T61-N64 VanDerWaalsContact O-N 3.12Å; T61-I65 HydrophobicContact CG2-CD1 3.72Å; T61-I65 HydrophobicContact CG2-CG1 4.22Å; T61-I65 WeakPolarHBondContact O-CG1 3.48Å; T61-I65 PolarHBondContact O-N 3.41Å |
| 62 | A | 96.4 | Very high | 91.7 | Very high | 75 Ų | 75 | 99 Ų | 99 | 62% | 0.62 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.2 | -32.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L58 T59 | L58-A62 VanDerWaalsContact O-CB 3.32Å; L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.46Å; T59-A62 PolarHBondContact O-N 3.42Å |
| 63 | Q | 94.7 | Very high | 90.4 | Very high | 148 Ų | 148 | 100.9 Ų | 100.9 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.1 | -27.5 | 175.6 | -72.2 | 171.4 | -3.3 | 0 | 0 | 113.7 | T59 K60 T61 | T59-Q63 VanDerWaalsContact O-CG 3.31Å; T59-Q63 WeakPolarHBondContact O-CG 3.42Å; T59-Q63 PolarHBondContact O-N 2.92Å; K60-Q63 PolarHBondContact O-N 2.84Å; T61-Q63 VanDerWaalsContact C-N 3.26Å; T61-Q63 PolarHBondContact O-N 3.38Å |
| 64 | N | 95.7 | Very high | 88.9 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 60% | 0.599 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -95.2 | -19.7 | -176.1 | -69 | -25.2 | 0 | 0 | 0 | 113.4 | K60 T61 | K60-N64 WeakPolarHBondContact O-CB 3.44Å; K60-N64 PolarHBondContact O-N 3.21Å; K60-N64 VanDerWaalsContact O-N 3.13Å; K60-N64 PolarHBondContact O-ND2 2.94Å; K60-N64 VanDerWaalsContact O-ND2 3.11Å; T61-N64 PolarHBondContact O-N 2.96Å; T61-N64 VanDerWaalsContact O-N 3.12Å |
| 65 | I | 95.6 | Very high | 87.7 | Confident | 117 Ų | 117 | 103 Ų | 103 | 60% | 0.6 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -69.5 | 132.5 | 173.2 | -72.1 | 170.9 | 0 | 0 | 0 | 108.7 | T61 | T61-I65 HydrophobicContact CG2-CD1 3.72Å; T61-I65 HydrophobicContact CG2-CG1 4.22Å; T61-I65 WeakPolarHBondContact O-CG1 3.48Å; T61-I65 PolarHBondContact O-N 3.41Å |
| 66 | I | 92.4 | Very high | 86.7 | Confident | 142 Ų | 142 | 102.3 Ų | 102.3 | 73% | 0.728 | 60% | 0.599 | S | S | * | * | trans | -86.2 | 118.2 | 175.9 | -59.5 | 171 | 0 | 0 | 0 | 108 | V68 | I66-V68 PolarHBondContact O-N 2.9Š| ||
| 67 | D | 90.9 | Very high | 86.1 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | trans | -74.6 | 102.5 | 168.3 | -176.3 | -1.2 | 0 | 0 | 0 | 109.6 | S69 A70 | D67-S69 PolarHBondContact O-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CA 3.34Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 2.96Å; D67-S69 PolarHBondContact OD1-OG 2.96Å; D67-A70 HydrophobicContact CB-CB 4.02Å; D67-A70 PolarHBondContact O-N 3.24Å; D67-A70 PolarHBondContact OD1-N 3.41Å | ||
| 68 | V | 89.9 | Confident | 85.4 | Confident | 136 Ų | 136 | 107.4 Ų | 107.4 | 82% | 0.824 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -13 | 178.1 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | I66 | I66-V68 PolarHBondContact O-N 2.9Š|
| 69 | S | 87.6 | Confident | 85 | Confident | 77 Ų | 77 | 105.9 Ų | 105.9 | 54% | 0.538 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | -9.1 | 178.8 | 68.5 | 0 | 0 | 0 | 0 | 114 | D67 A71 D72 | D67-S69 PolarHBondContact O-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CA 3.34Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 2.96Å; D67-S69 PolarHBondContact OD1-OG 2.96Å; S69-A71 PolarHBondContact O-N 3.4Å; S69-D72 PolarHBondContact O-N 2.97Å |
| 70 | A | 78.8 | Confident | 84.6 | Confident | 60 Ų | 60 | 106.7 Ų | 106.7 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | 5.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D67 D72 | D67-A70 HydrophobicContact CB-CB 4.02Å; D67-A70 PolarHBondContact O-N 3.24Å; D67-A70 PolarHBondContact OD1-N 3.41Å; A70-D72 VanDerWaalsContact C-N 3.26Å |
| 71 | A | 72.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -23.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S69 S73 | S69-A71 PolarHBondContact O-N 3.4Å; A71-S73 PolarHBondContact O-N 2.88Å |
| 72 | D | 75.1 | Confident | 83.5 | Confident | 136 Ų | 136 | 105 Ų | 105 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -66.9 | 120.2 | 167.5 | -71.4 | -29.3 | 0 | 0 | 0 | 107.7 | S69 A70 V74 | S69-D72 PolarHBondContact O-N 2.97Å; A70-D72 VanDerWaalsContact C-N 3.26Å; D72-V74 PolarHBondContact O-N 2.65Å |
| 73 | S | 63.5 | Low | 83.1 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 65% | 0.65 | 58% | 0.584 | S | S | * | * | trans | -52.1 | 118.4 | -177.8 | 55.3 | 0 | 0 | 0 | 0 | 108.6 | A71 V75 | A71-S73 PolarHBondContact O-N 2.88Å; S73-V75 WeakPolarHBondContact O-CG2 3.45Å; S73-V75 PolarHBondContact O-N 3.12Å; S73-V75 WeakPolarHBondContact OG-CG2 3.35Å | ||
| 74 | V | 62.8 | Low | 82.7 | Confident | 136 Ų | 136 | 102.3 Ų | 102.3 | 82% | 0.824 | 57% | 0.57 | S | S | * | * | trans | -62.2 | 87.2 | 159.9 | 179.7 | 0 | 0 | 0 | 0 | 105.1 | D72 M76 | D72-V74 PolarHBondContact O-N 2.65Å; V74-M76 PolarHBondContact O-N 3.31Å | ||
| 75 | V | 70.3 | Confident | 82.1 | Confident | 108 Ų | 108 | 99.5 Ų | 99.5 | 66% | 0.655 | 56% | 0.562 | S | S | * | * | trans | -71.5 | 90.5 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 104.6 | S73 E77 | S73-V75 WeakPolarHBondContact O-CG2 3.45Å; S73-V75 PolarHBondContact O-N 3.12Å; S73-V75 WeakPolarHBondContact OG-CG2 3.35Å; V75-E77 PolarHBondContact O-N 3.27Å | ||
| 76 | M | 73.8 | Confident | 81.6 | Confident | 65 Ų | 65 | 100.3 Ų | 100.3 | 32% | 0.32 | 56% | 0.558 | S | S | . | * | trans | -52.2 | 135.1 | 161.4 | -162.6 | 162.6 | 62.8 | 0 | 0 | 106.6 | V74 Q78 E80 I81 K84 | V74-M76 PolarHBondContact O-N 3.31Å; M76-Q78 PolarHBondContact O-N 2.85Å; M76-E80 HydrophobicContact CG-CB 3.71Å; M76-E80 WeakPolarHBondContact CG-OE2 3.21Å; M76-E80 HydrophobicContact SD-CB 4.45Å; M76-I81 HydrophobicContact CB-CD1 4.32Å; M76-I81 HydrophobicContact CB-CG1 3.94Å; M76-I81 HydrophobicContact CE-CB 4.4Å; M76-I81 HydrophobicContact CE-CG1 3.64Å; M76-I81 HydrophobicContact CG-CG1 4.28Å; M76-I81 VanDerWaalsContact O-CD1 3.28Å; M76-I81 WeakPolarHBondContact O-CD1 3.32Å; M76-K84 HydrophobicContact CE-CD 3.91Å; M76-K84 HydrophobicContact SD-CD 4.36Å | ||
| 77 | E | 84.3 | Confident | 81 | Confident | 115 Ų | 115 | 99.1 Ų | 99.1 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | trans | -60.9 | 145.5 | -171.4 | -66.9 | -168.9 | 89.3 | 0 | 0 | 109.7 | V75 H79 E80 I81 | V75-E77 PolarHBondContact O-N 3.27Å; E77-H79 WeakPolarHBondContact CB-ND1 3.38Å; E77-H79 VanDerWaalsContact CD-CE1 3.48Å; E77-H79 PolarHBondContact O-N 2.96Å; E77-H79 IonicContact OE1-CE1 3.18Å; E77-H79 IonicContact OE2-CE1 3.82Å; E77-H79 PolarHBondContact OE2-CE1 3.36Å; E77-E80 HydrophobicContact CB-CG 4.13Å; E77-E80 PolarHBondContact N-OE2 2.97Å; E77-E80 VanDerWaalsContact N-OE2 3.1Å; E77-E80 WeakPolarHBondContact O-CA 3.21Å; E77-E80 WeakPolarHBondContact O-CB 3.49Å; E77-E80 PolarHBondContact O-N 2.71Å; E77-I81 PolarHBondContact O-N 3.45Å | ||
| 78 | Q | 81.6 | Confident | 80.2 | Confident | 149 Ų | 149 | 101 Ų | 101 | 70% | 0.696 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -54.4 | -34.2 | -174.5 | -175.5 | 179.6 | -10 | 0 | 0 | 112.1 | M76 M82 | M76-Q78 PolarHBondContact O-N 2.85Å; Q78-M82 HydrophobicContact CG-CE 4.36Å; Q78-M82 VanDerWaalsContact O-CG 3.32Å; Q78-M82 WeakPolarHBondContact O-CG 3.47Å; Q78-M82 PolarHBondContact O-N 3.44Å |
| 79 | H | 88.5 | Confident | 79.1 | Confident | 93 Ų | 93 | 101.7 Ų | 101.7 | 43% | 0.431 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71 | -38.5 | 177 | 74.6 | -91 | 0 | 0 | 0 | 112.6 | E77 I81 M82 D83 | E77-H79 WeakPolarHBondContact CB-ND1 3.38Å; E77-H79 VanDerWaalsContact CD-CE1 3.48Å; E77-H79 PolarHBondContact O-N 2.96Å; E77-H79 IonicContact OE1-CE1 3.18Å; E77-H79 IonicContact OE2-CE1 3.82Å; E77-H79 PolarHBondContact OE2-CE1 3.36Å; H79-I81 VanDerWaalsContact C-N 3.34Å; H79-I81 PolarHBondContact O-N 2.9Å; H79-M82 HydrophobicContact CB-CE 4.45Å; H79-M82 PolarHBondContact O-N 3.29Å; H79-D83 WeakPolarHBondContact O-CB 3.34Å; H79-D83 PolarHBondContact O-N 3.34Å |
| 80 | E | 88.7 | Confident | 77.9 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 173 | -65.3 | -177.9 | 141.2 | 0 | 0 | 111.3 | M76 E77 D83 K84 | M76-E80 HydrophobicContact CG-CB 3.71Å; M76-E80 WeakPolarHBondContact CG-OE2 3.21Å; M76-E80 HydrophobicContact SD-CB 4.45Å; E77-E80 HydrophobicContact CB-CG 4.13Å; E77-E80 PolarHBondContact N-OE2 2.97Å; E77-E80 VanDerWaalsContact N-OE2 3.1Å; E77-E80 WeakPolarHBondContact O-CA 3.21Å; E77-E80 WeakPolarHBondContact O-CB 3.49Å; E77-E80 PolarHBondContact O-N 2.71Å; E80-D83 PolarHBondContact O-N 3.33Å; E80-K84 WeakPolarHBondContact O-CB 3.3Å; E80-K84 PolarHBondContact O-N 3.36Å |
| 81 | I | 85.1 | Confident | 76.5 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 43% | 0.431 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 174.2 | -63 | 170 | 0 | 0 | 0 | 110.3 | M76 E77 H79 K84 A85 | M76-I81 HydrophobicContact CB-CD1 4.32Å; M76-I81 HydrophobicContact CB-CG1 3.94Å; M76-I81 HydrophobicContact CE-CB 4.4Å; M76-I81 HydrophobicContact CE-CG1 3.64Å; M76-I81 HydrophobicContact CG-CG1 4.28Å; M76-I81 VanDerWaalsContact O-CD1 3.28Å; M76-I81 WeakPolarHBondContact O-CD1 3.32Å; E77-I81 PolarHBondContact O-N 3.45Å; H79-I81 VanDerWaalsContact C-N 3.34Å; H79-I81 PolarHBondContact O-N 2.9Å; I81-K84 PolarHBondContact O-N 2.73Å; I81-A85 WeakPolarHBondContact O-CB 3.31Å; I81-A85 PolarHBondContact O-N 2.98Å |
| 82 | M | 85.8 | Confident | 75.5 | Confident | 79 Ų | 79 | 112 Ų | 112 | 39% | 0.389 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 179.3 | -75.5 | -169.1 | -63.4 | 0 | 0 | 112 | Q78 H79 A85 R86 | Q78-M82 HydrophobicContact CG-CE 4.36Å; Q78-M82 VanDerWaalsContact O-CG 3.32Å; Q78-M82 WeakPolarHBondContact O-CG 3.47Å; Q78-M82 PolarHBondContact O-N 3.44Å; H79-M82 HydrophobicContact CB-CE 4.45Å; H79-M82 PolarHBondContact O-N 3.29Å; M82-A85 PolarHBondContact O-N 3.19Å; M82-R86 WeakPolarHBondContact O-CB 3.32Å; M82-R86 VanDerWaalsContact O-CG 3.27Å; M82-R86 WeakPolarHBondContact O-CG 3.48Å; M82-R86 PolarHBondContact O-N 3.42Å |
| 83 | D | 88 | Confident | 74.3 | Confident | 78 Ų | 78 | 112.3 Ų | 112.3 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.2 | -39.1 | 179.5 | -75.8 | -11.4 | 0 | 0 | 0 | 111.6 | H79 E80 R86 Q87 | H79-D83 WeakPolarHBondContact O-CB 3.34Å; H79-D83 PolarHBondContact O-N 3.34Å; E80-D83 PolarHBondContact O-N 3.33Å; D83-R86 CarbonylContact O-C 3.52Å; D83-R86 WeakPolarHBondContact O-CB 3.35Å; D83-R86 PolarHBondContact O-N 3.14Å; D83-R86 IonicContact OD1-NE 3.92Å; D83-Q87 WeakPolarHBondContact O-CB 3.3Å; D83-Q87 VanDerWaalsContact O-CG 3.25Å; D83-Q87 WeakPolarHBondContact O-CG 3.46Å; D83-Q87 PolarHBondContact O-N 3.13Å |
| 84 | K | 85.6 | Confident | 73.6 | Confident | 89 Ų | 89 | 113.6 Ų | 113.6 | 39% | 0.387 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 173.9 | -159.1 | 176.1 | -170.7 | 163.5 | 0 | 111.5 | M76 E80 I81 Q87 Y88 | M76-K84 HydrophobicContact CE-CD 3.91Å; M76-K84 HydrophobicContact SD-CD 4.36Å; E80-K84 WeakPolarHBondContact O-CB 3.3Å; E80-K84 PolarHBondContact O-N 3.36Å; I81-K84 PolarHBondContact O-N 2.73Å; K84-Q87 PolarHBondContact O-N 3.46Å; K84-Y88 HydrophobicContact CD-CE2 4.07Å; K84-Y88 WeakPolarHBondContact CE-OH 3.42Å; K84-Y88 HydrophobicContact CG-CD2 4.07Å; K84-Y88 HydrophobicContact CG-CE2 3.58Å; K84-Y88 WeakPolarHBondContact O-CD2 3.25Å; K84-Y88 PolarHBondContact O-N 3.37Å |
| 85 | A | 83.1 | Confident | 72.5 | Confident | 54 Ų | 54 | 109.5 Ų | 109.5 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I81 M82 R89 | I81-A85 WeakPolarHBondContact O-CB 3.31Å; I81-A85 PolarHBondContact O-N 2.98Å; M82-A85 PolarHBondContact O-N 3.19Å; A85-R89 WeakPolarHBondContact O-CA 3.23Å; A85-R89 WeakPolarHBondContact O-CB 3.31Å; A85-R89 PolarHBondContact O-N 2.92Å |
| 86 | R | 86 | Confident | 71.4 | Confident | 134 Ų | 134 | 108.8 Ų | 108.8 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 171.2 | -74.3 | 178.2 | -141.3 | -77.9 | -1.8 | 111.9 | M82 D83 R89 N90 | M82-R86 WeakPolarHBondContact O-CB 3.32Å; M82-R86 VanDerWaalsContact O-CG 3.27Å; M82-R86 WeakPolarHBondContact O-CG 3.48Å; M82-R86 PolarHBondContact O-N 3.42Å; D83-R86 CarbonylContact O-C 3.52Å; D83-R86 WeakPolarHBondContact O-CB 3.35Å; D83-R86 PolarHBondContact O-N 3.14Å; D83-R86 IonicContact OD1-NE 3.92Å; R86-R89 CarbonylContact O-C 3.44Å; R86-R89 PolarHBondContact O-N 3.4Å; R86-N90 WeakPolarHBondContact O-CA 3.39Å; R86-N90 WeakPolarHBondContact O-CB 3.03Å; R86-N90 PolarHBondContact O-N 3.34Å; R86-N90 PolarHBondContact O-ND2 3.11Å; R86-N90 VanDerWaalsContact O-ND2 3.08Å |
| 87 | Q | 79.3 | Confident | 70.1 | Confident | 116 Ų | 116 | 111.2 Ų | 111.2 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.5 | -46.3 | 176.1 | -74.2 | 172.2 | 26 | 0 | 0 | 110.8 | D83 K84 R89 N90 Y91 | D83-Q87 WeakPolarHBondContact O-CB 3.3Å; D83-Q87 VanDerWaalsContact O-CG 3.25Å; D83-Q87 WeakPolarHBondContact O-CG 3.46Å; D83-Q87 PolarHBondContact O-N 3.13Å; K84-Q87 PolarHBondContact O-N 3.46Å; Q87-R89 VanDerWaalsContact C-N 3.26Å; Q87-R89 PolarHBondContact O-N 3.49Å; Q87-N90 PolarHBondContact O-N 3.02Å; Q87-N90 VanDerWaalsContact O-N 3.12Å; Q87-Y91 VanDerWaalsContact O-CB 3.3Å; Q87-Y91 WeakPolarHBondContact O-CB 3.28Å; Q87-Y91 PolarHBondContact O-N 3.49Å |
| 88 | Y | 74.7 | Confident | 68.1 | Low | 139 Ų | 139 | 113.1 Ų | 113.1 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 169.5 | -72.4 | -54.8 | 0 | 0 | 0 | 110.8 | K84 N90 K92 | K84-Y88 HydrophobicContact CD-CE2 4.07Å; K84-Y88 WeakPolarHBondContact CE-OH 3.42Å; K84-Y88 HydrophobicContact CG-CD2 4.07Å; K84-Y88 HydrophobicContact CG-CE2 3.58Å; K84-Y88 WeakPolarHBondContact O-CD2 3.25Å; K84-Y88 PolarHBondContact O-N 3.37Å; Y88-N90 PolarHBondContact O-N 2.86Å; Y88-K92 VanDerWaalsContact O-CA 3.25Å; Y88-K92 WeakPolarHBondContact O-CA 3.38Å; Y88-K92 WeakPolarHBondContact O-CB 3.48Å; Y88-K92 PolarHBondContact O-N 3.36Å |
| 89 | R | 67.1 | Low | 66.4 | Low | 150 Ų | 150 | 110.3 Ų | 110.3 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 174 | -174.5 | 177.3 | 173.2 | 174.2 | -2 | 110.9 | A85 R86 Q87 L93 F94 | A85-R89 WeakPolarHBondContact O-CA 3.23Å; A85-R89 WeakPolarHBondContact O-CB 3.31Å; A85-R89 PolarHBondContact O-N 2.92Å; R86-R89 CarbonylContact O-C 3.44Å; R86-R89 PolarHBondContact O-N 3.4Å; Q87-R89 VanDerWaalsContact C-N 3.26Å; Q87-R89 PolarHBondContact O-N 3.49Å; R89-L93 HydrophobicContact CG-CB 4.26Å; R89-L93 CarbonylContact O-C 3.59Å; R89-L93 WeakPolarHBondContact O-CA 3.3Å; R89-L93 WeakPolarHBondContact O-CB 3.46Å; R89-L93 PolarHBondContact O-N 2.91Å; R89-F94 HydrophobicContact CG-CB 4.19Å; R89-F94 PolarHBondContact O-N 2.85Å |
| 90 | N | 60.9 | Low | 64.3 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 31% | 0.31 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -86.4 | -37.1 | -170.2 | -65.8 | -26.4 | 0 | 0 | 0 | 113.2 | R86 Q87 Y88 F94 S95 | R86-N90 WeakPolarHBondContact O-CA 3.39Å; R86-N90 WeakPolarHBondContact O-CB 3.03Å; R86-N90 PolarHBondContact O-N 3.34Å; R86-N90 PolarHBondContact O-ND2 3.11Å; R86-N90 VanDerWaalsContact O-ND2 3.08Å; Q87-N90 PolarHBondContact O-N 3.02Å; Q87-N90 VanDerWaalsContact O-N 3.12Å; Y88-N90 PolarHBondContact O-N 2.86Å; N90-F94 VanDerWaalsContact CA-O 3.31Å; N90-F94 WeakPolarHBondContact CA-O 3.28Å; N90-F94 CarbonylContact O-C 3.54Å; N90-F94 PolarHBondContact OD1-O 2.84Å; N90-S95 WeakPolarHBondContact O-CB 3.14Å; N90-S95 PolarHBondContact O-N 3.44Å; N90-S95 VanDerWaalsContact O-N 3.13Å |
| 91 | Y | 51.1 | Low | 62.2 | Low | 220 Ų | 220 | 114.8 Ų | 114.8 | 86% | 0.863 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -81.9 | -21.9 | 173.9 | -87.2 | -93.6 | 0 | 0 | 0 | 113.2 | Q87 | Q87-Y91 VanDerWaalsContact O-CB 3.3Å; Q87-Y91 WeakPolarHBondContact O-CB 3.28Å; Q87-Y91 PolarHBondContact O-N 3.49Å |
| 92 | K | 50.4 | Low | 60.2 | Low | 171 Ų | 171 | 116.1 Ų | 116.1 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -121.5 | -13.8 | -176.8 | -149.7 | 170.4 | 178.2 | 172.7 | 0 | 114.9 | Y88 | Y88-K92 VanDerWaalsContact O-CA 3.25Å; Y88-K92 WeakPolarHBondContact O-CA 3.38Å; Y88-K92 WeakPolarHBondContact O-CB 3.48Å; Y88-K92 PolarHBondContact O-N 3.36Å |
| 93 | L | 50.4 | Low | 58.2 | Low | 142 Ų | 142 | 115.3 Ų | 115.3 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | -15.5 | -174 | -88.2 | 146.6 | 0 | 0 | 0 | 117.3 | R89 | R89-L93 HydrophobicContact CG-CB 4.26Å; R89-L93 CarbonylContact O-C 3.59Å; R89-L93 WeakPolarHBondContact O-CA 3.3Å; R89-L93 WeakPolarHBondContact O-CB 3.46Å; R89-L93 PolarHBondContact O-N 2.91Å |
| 94 | F | 48.4 | Very low | 56.1 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 53% | 0.526 | 59% | 0.592 | S | S | . | * | trans | -178.9 | 78.8 | -172.6 | -158.4 | -102.7 | 0 | 0 | 0 | 114.7 | R89 N90 P96 | R89-F94 HydrophobicContact CG-CB 4.19Å; R89-F94 PolarHBondContact O-N 2.85Å; N90-F94 VanDerWaalsContact CA-O 3.31Å; N90-F94 WeakPolarHBondContact CA-O 3.28Å; N90-F94 CarbonylContact O-C 3.54Å; N90-F94 PolarHBondContact OD1-O 2.84Å; F94-P96 HydrophobicContact CE1-CB 4.47Å; F94-P96 WeakPolarHBondContact O-CD 3.44Å | ||
| 95 | S | 40.3 | Very low | 54.1 | Low | 49 Ų | 49 | 118.8 Ų | 118.8 | 34% | 0.343 | 60% | 0.598 | S | S | . | * | trans | -81.1 | 124 | 166.6 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | N90 F98 | N90-S95 WeakPolarHBondContact O-CB 3.14Å; N90-S95 PolarHBondContact O-N 3.44Å; N90-S95 VanDerWaalsContact O-N 3.13Å; S95-F98 PolarHBondContact OG-N 2.96Å | ||
| 96 | P | 47.2 | Very low | 52.3 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -5.5 | -180 | 30.9 | -31 | 0 | 0 | 0 | 114.5 | F94 | F94-P96 HydrophobicContact CE1-CB 4.47Å; F94-P96 WeakPolarHBondContact O-CD 3.44Å |
| 97 | S | 44.9 | Very low | 50.5 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 8.4 | 171.3 | -80.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 98 | F | 42.7 | Very low | 49.2 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | trans | -125 | 33.6 | 173.9 | -106.4 | -104.7 | 0 | 0 | 0 | 111.2 | S95 T100 | S95-F98 PolarHBondContact OG-N 2.96Å; F98-T100 PolarHBondContact O-N 3.33Å | ||
| 99 | S | 46.5 | Very low | 48.2 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 20.7 | -169.6 | -169.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 100 | T | 44.8 | Very low | 48 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | -24.5 | -177 | -44.9 | 0 | 0 | 0 | 0 | 114.3 | F98 | F98-T100 PolarHBondContact O-N 3.33Š|
| 101 | K | 44.7 | Very low | 48.1 | Very low | 161 Ų | 161 | 119.1 Ų | 119.1 | 70% | 0.7 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -24.3 | -173.7 | -65.9 | -170.6 | 179.6 | -174.7 | 0 | 115.3 | ||
| 102 | L | 41.5 | Very low | 48.7 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 59% | 0.592 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -92.4 | -11.4 | 177 | -152.9 | 87 | 0 | 0 | 0 | 113.8 | M104 L105 S106 | L102-M104 PolarHBondContact O-N 2.74Å; L102-L105 HydrophobicContact CD1-CB 3.94Å; L102-L105 HydrophobicContact CD1-CD1 3.71Å; L102-L105 HydrophobicContact CD1-CG 4.46Å; L102-L105 HydrophobicContact CG-CB 4.19Å; L102-L105 PolarHBondContact O-N 3.32Å; L102-L105 VanDerWaalsContact O-N 3.11Å; L102-S106 PolarHBondContact O-N 3.48Å; L102-S106 PolarHBondContact O-OG 3.08Å |
| 103 | A | 44.7 | Very low | 49.8 | Very low | 61 Ų | 61 | 118.5 Ų | 118.5 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -20.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S106 T107 | A103-S106 PolarHBondContact O-OG 3.22Å; A103-T107 WeakPolarHBondContact O-CG2 3.32Å; A103-T107 PolarHBondContact O-OG1 3.48Å |
| 104 | M | 43.5 | Very low | 51 | Low | 142 Ų | 142 | 116.4 Ų | 116.4 | 70% | 0.7 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -12.2 | 171.6 | -67.3 | -170.6 | 171.5 | 0 | 0 | 113.8 | L102 T107 | L102-M104 PolarHBondContact O-N 2.74Å; M104-T107 VanDerWaalsContact C-OG1 3.24Å; M104-T107 WeakPolarHBondContact CA-OG1 3.39Å; M104-T107 PolarHBondContact O-OG1 2.96Å |
| 105 | L | 43.3 | Very low | 52.5 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 51% | 0.513 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.3 | -25.4 | 178.8 | -76.3 | 165.4 | 0 | 0 | 0 | 112.7 | L102 T107 S108 L109 | L102-L105 HydrophobicContact CD1-CB 3.94Å; L102-L105 HydrophobicContact CD1-CD1 3.71Å; L102-L105 HydrophobicContact CD1-CG 4.46Å; L102-L105 HydrophobicContact CG-CB 4.19Å; L102-L105 PolarHBondContact O-N 3.32Å; L102-L105 VanDerWaalsContact O-N 3.11Å; L105-T107 PolarHBondContact O-N 2.87Å; L105-S108 WeakPolarHBondContact CA-OG 3.45Å; L105-S108 WeakPolarHBondContact CD2-OG 3.25Å; L105-S108 PolarHBondContact O-N 3.4Å; L105-S108 PolarHBondContact O-OG 3.12Å; L105-S108 VanDerWaalsContact O-OG 3.04Å; L105-L109 PolarHBondContact O-N 3.5Å |
| 106 | S | 45.1 | Very low | 54.7 | Low | 66 Ų | 66 | 122.3 Ų | 122.3 | 46% | 0.462 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | -18.7 | 166.3 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | L102 A103 | L102-S106 PolarHBondContact O-N 3.48Å; L102-S106 PolarHBondContact O-OG 3.08Å; A103-S106 PolarHBondContact O-OG 3.22Å |
| 107 | T | 48.4 | Very low | 56.8 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -17.6 | 168.5 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | A103 M104 L105 | A103-T107 WeakPolarHBondContact O-CG2 3.32Å; A103-T107 PolarHBondContact O-OG1 3.48Å; M104-T107 VanDerWaalsContact C-OG1 3.24Å; M104-T107 WeakPolarHBondContact CA-OG1 3.39Å; M104-T107 PolarHBondContact O-OG1 2.96Å; L105-T107 PolarHBondContact O-N 2.87Å |
| 108 | S | 53.1 | Low | 59 | Low | 77 Ų | 77 | 124.6 Ų | 124.6 | 54% | 0.538 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98 | -19.3 | 179.9 | 74.5 | 0 | 0 | 0 | 0 | 114 | L105 | L105-S108 WeakPolarHBondContact CA-OG 3.45Å; L105-S108 WeakPolarHBondContact CD2-OG 3.25Å; L105-S108 PolarHBondContact O-N 3.4Å; L105-S108 PolarHBondContact O-OG 3.12Å; L105-S108 VanDerWaalsContact O-OG 3.04Å |
| 109 | L | 53.4 | Low | 61.5 | Low | 129 Ų | 129 | 122.5 Ų | 122.5 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -101.1 | 114 | 172.6 | -163.3 | 70 | 0 | 0 | 0 | 109.5 | L105 Q111 | L105-L109 PolarHBondContact O-N 3.5Å; L109-Q111 PolarHBondContact O-N 3.13Å |
| 110 | P | 62.5 | Low | 63.8 | Low | 102 Ų | 102 | 126 Ų | 126 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | trans | -62 | 108.4 | 179.4 | 24.3 | -31.7 | 0 | 0 | 0 | 108.7 | K112 | P110-K112 VanDerWaalsContact C-N 3.33Å; P110-K112 PolarHBondContact O-N 2.95Å | ||
| 111 | Q | 63.8 | Low | 66.2 | Low | 167 Ų | 167 | 123.2 Ų | 123.2 | 78% | 0.78 | 69% | 0.685 | S | S | * | * | trans | -60 | 102 | 167.2 | -71.4 | -174.8 | -43.4 | 0 | 0 | 106.5 | L109 K113 | L109-Q111 PolarHBondContact O-N 3.13Å; Q111-K113 VanDerWaalsContact C-N 3.35Å; Q111-K113 PolarHBondContact O-N 3.22Å | ||
| 112 | K | 63.2 | Low | 68.6 | Low | 189 Ų | 189 | 120.9 Ų | 120.9 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -61.8 | 99.2 | -179.6 | -70.6 | -177.6 | 178.7 | 178.5 | 0 | 107.4 | P110 | P110-K112 VanDerWaalsContact C-N 3.33Å; P110-K112 PolarHBondContact O-N 2.95Å | ||
| 113 | K | 72.8 | Confident | 71.3 | Confident | 189 Ų | 189 | 120.8 Ų | 120.8 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 147.2 | 161.8 | -66.2 | -179.2 | 179.6 | 178.6 | 0 | 107.3 | Q111 L115 | Q111-K113 VanDerWaalsContact C-N 3.35Å; Q111-K113 PolarHBondContact O-N 3.22Å; K113-L115 PolarHBondContact O-N 3.37Å |
| 114 | A | 76.2 | Confident | 73.7 | Confident | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 122.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | T116 | A114-T116 PolarHBondContact O-N 3.02Š|
| 115 | L | 80 | Confident | 76.3 | Confident | 163 Ų | 163 | 122 Ų | 122 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 125.9 | -177.6 | -80.4 | 113.1 | 0 | 0 | 0 | 108.4 | K113 | K113-L115 PolarHBondContact O-N 3.37Š|
| 116 | T | 86.7 | Confident | 78.9 | Confident | 130 Ų | 130 | 123.2 Ų | 123.2 | 80% | 0.798 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 145.2 | 169.5 | -49.6 | 0 | 0 | 0 | 0 | 108.9 | A114 | A114-T116 PolarHBondContact O-N 3.02Š|
| 117 | L | 90.1 | Very high | 81.4 | Confident | 159 Ų | 159 | 123.8 Ų | 123.8 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 138.2 | 174.5 | -68.7 | 173.1 | 0 | 0 | 0 | 110 | ||
| 118 | P | 92.1 | Very high | 83.7 | Confident | 99 Ų | 99 | 125 Ų | 125 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 138.5 | 178.1 | 27.5 | -33.8 | 0 | 0 | 0 | 110.1 | L120 | P118-L120 HydrophobicContact CG-CD2 4.42Å; P118-L120 PolarHBondContact O-N 2.9Å |
| 119 | S | 94.2 | Very high | 85.8 | Confident | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | trans | -71.1 | 115.6 | 171 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 120 | L | 95.4 | Very high | 87.8 | Confident | 164 Ų | 164 | 122.4 Ų | 122.4 | 86% | 0.859 | 69% | 0.687 | S | S | * | * | trans | -85.8 | -28.6 | -177.4 | -59.5 | 179.9 | 0 | 0 | 0 | 113 | P118 | P118-L120 HydrophobicContact CG-CD2 4.42Å; P118-L120 PolarHBondContact O-N 2.9Å | ||
| 121 | T | 95.1 | Very high | 89.4 | Confident | 54 Ų | 54 | 125.2 Ų | 125.2 | 33% | 0.331 | 70% | 0.696 | S | S | . | * | trans | -155.8 | 148.5 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | Q123 P124 V127 | T121-Q123 PolarHBondContact OG1-N 2.87Å; T121-Q123 VanDerWaalsContact OG1-N 3.1Å; T121-P124 HydrophobicContact CG2-CB 4.44Å; T121-V127 HydrophobicContact CG2-CB 4.43Å; T121-V127 HydrophobicContact CG2-CG2 4.02Å; T121-V127 WeakPolarHBondContact OG1-CG2 3.08Å | ||
| 122 | S | 96.4 | Very high | 91 | Very high | 111 Ų | 111 | 124.5 Ų | 124.5 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -87.5 | -11.3 | 170.9 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 123 | Q | 96.8 | Very high | 92.5 | Very high | 112 Ų | 112 | 120.5 Ų | 120.5 | 52% | 0.523 | 69% | 0.688 | S | S | . | * | trans | -128.2 | 73.8 | -177.8 | -62.9 | -169.1 | 53.1 | 0 | 0 | 110.9 | T121 H125 Q126 V127 | T121-Q123 PolarHBondContact OG1-N 2.87Å; T121-Q123 VanDerWaalsContact OG1-N 3.1Å; Q123-H125 VanDerWaalsContact C-N 3.33Å; Q123-H125 PolarHBondContact O-N 2.76Å; Q123-Q126 HydrophobicContact CB-CB 4.09Å; Q123-Q126 PolarHBondContact O-N 3.46Å; Q123-V127 PolarHBondContact O-N 3.02Å | ||
| 124 | P | 96.6 | Very high | 93.7 | Very high | 66 Ų | 66 | 114.9 Ų | 114.9 | 43% | 0.429 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -61.9 | -38.7 | -174.1 | 24.2 | -34 | 0 | 0 | 0 | 112.8 | T121 Q126 V127 L128 | T121-P124 HydrophobicContact CG2-CB 4.44Å; P124-Q126 VanDerWaalsContact C-N 3.33Å; P124-Q126 PolarHBondContact O-N 3.1Å; P124-V127 PolarHBondContact O-N 2.98Å; P124-L128 WeakPolarHBondContact O-CB 3.14Å; P124-L128 VanDerWaalsContact O-CG 3.25Å; P124-L128 WeakPolarHBondContact O-CG 3.49Å; P124-L128 PolarHBondContact O-N 3.18Å |
| 125 | H | 97.8 | Very high | 94.8 | Very high | 161 Ų | 161 | 118 Ų | 118 | 75% | 0.745 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.9 | -37.4 | 179.6 | -60.7 | -64.8 | 0 | 0 | 0 | 112.7 | Q123 A129 | Q123-H125 VanDerWaalsContact C-N 3.33Å; Q123-H125 PolarHBondContact O-N 2.76Å; H125-A129 VanDerWaalsContact O-CB 3.29Å; H125-A129 WeakPolarHBondContact O-CB 3.21Å; H125-A129 PolarHBondContact O-N 3.22Å; H125-A129 VanDerWaalsContact O-N 3.16Å |
| 126 | Q | 97.3 | Very high | 95.6 | Very high | 125 Ų | 125 | 113.5 Ų | 113.5 | 58% | 0.584 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.9 | -44.1 | 178.3 | -172.1 | -174.9 | 5.9 | 0 | 0 | 111.2 | Q123 P124 L128 A129 S130 | Q123-Q126 HydrophobicContact CB-CB 4.09Å; Q123-Q126 PolarHBondContact O-N 3.46Å; P124-Q126 VanDerWaalsContact C-N 3.33Å; P124-Q126 PolarHBondContact O-N 3.1Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 2.9Å; Q126-A129 CarbonylContact O-C 3.01Å; Q126-A129 PolarHBondContact O-N 3.42Å; Q126-S130 PolarHBondContact O-N 3.27Å; Q126-S130 VanDerWaalsContact O-N 3.11Å |
| 127 | V | 97.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 110.7 Ų | 110.7 | 47% | 0.467 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.4 | -37.4 | 179 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | T121 Q123 P124 A129 S130 | T121-V127 HydrophobicContact CG2-CB 4.43Å; T121-V127 HydrophobicContact CG2-CG2 4.02Å; T121-V127 WeakPolarHBondContact OG1-CG2 3.08Å; Q123-V127 PolarHBondContact O-N 3.02Å; P124-V127 PolarHBondContact O-N 2.98Å; V127-A129 VanDerWaalsContact C-N 3.29Å; V127-A129 PolarHBondContact O-N 3Å; V127-S130 PolarHBondContact O-N 3.49Å; V127-S130 PolarHBondContact O-OG 3.49Å |
| 128 | L | 96.6 | Very high | 96.6 | Very high | 143 Ų | 143 | 106.4 Ų | 106.4 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74 | -21.6 | 177.5 | -67.4 | 173.6 | 0 | 0 | 0 | 113.4 | P124 Q126 | P124-L128 WeakPolarHBondContact O-CB 3.14Å; P124-L128 VanDerWaalsContact O-CG 3.25Å; P124-L128 WeakPolarHBondContact O-CG 3.49Å; P124-L128 PolarHBondContact O-N 3.18Å; Q126-L128 VanDerWaalsContact C-N 3.33Å; Q126-L128 PolarHBondContact O-N 2.9Å |
| 129 | A | 96.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 106.7 Ų | 106.7 | 69% | 0.686 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 0.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H125 Q126 V127 | H125-A129 VanDerWaalsContact O-CB 3.29Å; H125-A129 WeakPolarHBondContact O-CB 3.21Å; H125-A129 PolarHBondContact O-N 3.22Å; H125-A129 VanDerWaalsContact O-N 3.16Å; Q126-A129 CarbonylContact O-C 3.01Å; Q126-A129 PolarHBondContact O-N 3.42Å; V127-A129 VanDerWaalsContact C-N 3.29Å; V127-A129 PolarHBondContact O-N 3Å |
| 130 | S | 97 | Very high | 97.1 | Very high | 69 Ų | 69 | 107.4 Ų | 107.4 | 48% | 0.483 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -70 | 167.3 | 175.7 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | Q126 V127 L132 | Q126-S130 PolarHBondContact O-N 3.27Å; Q126-S130 VanDerWaalsContact O-N 3.11Å; V127-S130 PolarHBondContact O-N 3.49Å; V127-S130 PolarHBondContact O-OG 3.49Å; S130-L132 PolarHBondContact O-N 2.83Å |
| 131 | D | 96.4 | Very high | 97.2 | Very high | 160 Ų | 160 | 104.2 Ų | 104.2 | 86% | 0.856 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 137.7 | 176.5 | -64 | -33.9 | 0 | 0 | 0 | 111.4 | ||
| 132 | L | 95.5 | Very high | 97.4 | Very high | 153 Ų | 153 | 105 Ų | 105 | 80% | 0.801 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 162.8 | 178.2 | -59.3 | 179.2 | 0 | 0 | 0 | 110.6 | S130 | S130-L132 PolarHBondContact O-N 2.83Š|
| 133 | V | 96.6 | Very high | 97.5 | Very high | 105 Ų | 105 | 107.7 Ų | 107.7 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.7 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | Y135 D137 V138 | V133-Y135 PolarHBondContact O-N 3.11Å; V133-D137 HydrophobicContact CG1-CB 4.16Å; V133-V138 HydrophobicContact CG1-CG2 4.28Å |
| 134 | P | 97.9 | Very high | 97.6 | Very high | 71 Ų | 71 | 107.1 Ų | 107.1 | 46% | 0.461 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 139.1 | 179.2 | -25.9 | 34.3 | 0 | 0 | 0 | 112.3 | S136 D137 | P134-S136 PolarHBondContact O-N 3.47Å; P134-D137 WeakPolarHBondContact O-CB 3.27Å; P134-D137 PolarHBondContact O-N 2.8Å; P134-D137 VanDerWaalsContact O-N 3.08Å |
| 135 | Y | 97.9 | Very high | 97.7 | Very high | 162 Ų | 162 | 106.7 Ų | 106.7 | 64% | 0.635 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.5 | -27.9 | -177.9 | -175.9 | -110.2 | 0 | 0 | 0 | 113.3 | V133 D137 V138 Q139 | V133-Y135 PolarHBondContact O-N 3.11Å; Y135-D137 VanDerWaalsContact C-N 3.25Å; Y135-D137 PolarHBondContact O-N 3.42Å; Y135-V138 PolarHBondContact O-N 3.24Å; Y135-Q139 HydrophobicContact CD1-CG 3.93Å; Y135-Q139 HydrophobicContact CE1-CG 3.46Å; Y135-Q139 VanDerWaalsContact CE1-CG 3.46Å; Y135-Q139 HydrophobicContact CE2-CG 4.24Å; Y135-Q139 WeakPolarHBondContact O-CG 3.49Å; Y135-Q139 PolarHBondContact O-N 3.16Å; Y135-Q139 PolarHBondContact OH-NE2 3.43Å |
| 136 | S | 98.2 | Very high | 97.7 | Very high | 69 Ų | 69 | 101.7 Ų | 101.7 | 48% | 0.483 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -55.2 | -41.1 | 172.7 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | P134 Q139 Q140 | P134-S136 PolarHBondContact O-N 3.47Å; S136-Q139 PolarHBondContact O-N 2.91Å; S136-Q140 WeakPolarHBondContact O-CB 3.43Å; S136-Q140 PolarHBondContact O-N 2.76Å |
| 137 | D | 98.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 104.4 Ų | 104.4 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.6 | -41.7 | -175.1 | -62.6 | 11.6 | 0 | 0 | 0 | 109.2 | V133 P134 Y135 Q139 Q140 V141 | V133-D137 HydrophobicContact CG1-CB 4.16Å; P134-D137 WeakPolarHBondContact O-CB 3.27Å; P134-D137 PolarHBondContact O-N 2.8Å; P134-D137 VanDerWaalsContact O-N 3.08Å; Y135-D137 VanDerWaalsContact C-N 3.25Å; Y135-D137 PolarHBondContact O-N 3.42Å; D137-Q139 PolarHBondContact O-N 3.25Å; D137-Q140 PolarHBondContact O-N 2.83Å; D137-V141 VanDerWaalsContact O-CG2 3.3Å; D137-V141 WeakPolarHBondContact O-CG2 3.29Å; D137-V141 PolarHBondContact O-N 2.85Å |
| 138 | V | 98.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 103 Ų | 103 | 42% | 0.424 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.6 | -44.2 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | V133 Y135 S142 | V133-V138 HydrophobicContact CG1-CG2 4.28Å; Y135-V138 PolarHBondContact O-N 3.24Å; V138-S142 WeakPolarHBondContact O-CB 3.45Å; V138-S142 PolarHBondContact O-N 3.25Å; V138-S142 PolarHBondContact O-OG 3.22Å |
| 139 | Q | 98.5 | Very high | 97.8 | Very high | 105 Ų | 105 | 104.7 Ų | 104.7 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -41.9 | 176.4 | -73.9 | -162.9 | -42.6 | 0 | 0 | 112 | Y135 S136 D137 S142 K143 | Y135-Q139 HydrophobicContact CD1-CG 3.93Å; Y135-Q139 HydrophobicContact CE1-CG 3.46Å; Y135-Q139 VanDerWaalsContact CE1-CG 3.46Å; Y135-Q139 HydrophobicContact CE2-CG 4.24Å; Y135-Q139 WeakPolarHBondContact O-CG 3.49Å; Y135-Q139 PolarHBondContact O-N 3.16Å; Y135-Q139 PolarHBondContact OH-NE2 3.43Å; S136-Q139 PolarHBondContact O-N 2.91Å; D137-Q139 PolarHBondContact O-N 3.25Å; Q139-S142 PolarHBondContact O-N 2.73Å; Q139-K143 WeakPolarHBondContact O-CB 2.97Å; Q139-K143 PolarHBondContact O-N 3.38Å |
| 140 | Q | 98.4 | Very high | 97.8 | Very high | 124 Ų | 124 | 103.9 Ų | 103.9 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62 | -48.6 | 178.1 | -176.7 | 179.6 | 4 | 0 | 0 | 111.2 | S136 D137 S142 K143 I144 | S136-Q140 WeakPolarHBondContact O-CB 3.43Å; S136-Q140 PolarHBondContact O-N 2.76Å; D137-Q140 PolarHBondContact O-N 2.83Å; Q140-S142 VanDerWaalsContact C-N 3.31Å; Q140-S142 PolarHBondContact O-N 3.46Å; Q140-K143 WeakPolarHBondContact O-CB 3.25Å; Q140-K143 PolarHBondContact O-N 3.25Å; Q140-I144 HydrophobicContact CG-CD1 4.02Å; Q140-I144 VanDerWaalsContact O-CG1 3.32Å; Q140-I144 WeakPolarHBondContact O-CG1 3.44Å; Q140-I144 PolarHBondContact O-N 2.99Å |
| 141 | V | 98.5 | Very high | 97.9 | Very high | 97 Ų | 97 | 103 Ų | 103 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.8 | -41.6 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | D137 K143 I144 A145 | D137-V141 VanDerWaalsContact O-CG2 3.3Å; D137-V141 WeakPolarHBondContact O-CG2 3.29Å; D137-V141 PolarHBondContact O-N 2.85Å; V141-K143 VanDerWaalsContact C-N 3.32Å; V141-K143 PolarHBondContact O-N 3.41Å; V141-I144 PolarHBondContact O-N 3.28Å; V141-A145 WeakPolarHBondContact O-CB 3.3Å; V141-A145 PolarHBondContact O-N 2.91Å |
| 142 | S | 98.4 | Very high | 97.9 | Very high | 70 Ų | 70 | 100.3 Ų | 100.3 | 49% | 0.49 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | V138 Q139 Q140 A145 A146 | V138-S142 WeakPolarHBondContact O-CB 3.45Å; V138-S142 PolarHBondContact O-N 3.25Å; V138-S142 PolarHBondContact O-OG 3.22Å; Q139-S142 PolarHBondContact O-N 2.73Å; Q140-S142 VanDerWaalsContact C-N 3.31Å; Q140-S142 PolarHBondContact O-N 3.46Å; S142-A145 PolarHBondContact O-N 2.83Å; S142-A146 WeakPolarHBondContact O-CB 3.21Å; S142-A146 PolarHBondContact O-N 3.48Å |
| 143 | K | 98.5 | Very high | 97.8 | Very high | 168 Ų | 168 | 96.5 Ų | 96.5 | 73% | 0.73 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 176.2 | -174.6 | 178.3 | -179.7 | 179.7 | 0 | 111.9 | Q139 Q140 V141 A145 A146 Y147 | Q139-K143 WeakPolarHBondContact O-CB 2.97Å; Q139-K143 PolarHBondContact O-N 3.38Å; Q140-K143 WeakPolarHBondContact O-CB 3.25Å; Q140-K143 PolarHBondContact O-N 3.25Å; V141-K143 VanDerWaalsContact C-N 3.32Å; V141-K143 PolarHBondContact O-N 3.41Å; K143-A145 VanDerWaalsContact C-N 3.35Å; K143-A146 PolarHBondContact O-N 3.35Å; K143-Y147 WeakPolarHBondContact O-CB 3.02Å; K143-Y147 PolarHBondContact O-N 3.4Å |
| 144 | I | 98.4 | Very high | 97.8 | Very high | 101 Ų | 101 | 97.8 Ų | 97.8 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.8 | -67.1 | 165.3 | 0 | 0 | 0 | 110.2 | Q140 V141 Y147 A148 | Q140-I144 HydrophobicContact CG-CD1 4.02Å; Q140-I144 VanDerWaalsContact O-CG1 3.32Å; Q140-I144 WeakPolarHBondContact O-CG1 3.44Å; Q140-I144 PolarHBondContact O-N 2.99Å; V141-I144 PolarHBondContact O-N 3.28Å; I144-Y147 PolarHBondContact O-N 3.32Å; I144-A148 PolarHBondContact O-N 3.06Å |
| 145 | A | 98.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 101.3 Ų | 101.3 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V141 S142 K143 Y147 A148 Y149 | V141-A145 WeakPolarHBondContact O-CB 3.3Å; V141-A145 PolarHBondContact O-N 2.91Å; S142-A145 PolarHBondContact O-N 2.83Å; K143-A145 VanDerWaalsContact C-N 3.35Å; A145-Y147 VanDerWaalsContact C-N 3.31Å; A145-Y147 PolarHBondContact O-N 3.48Å; A145-A148 PolarHBondContact O-N 2.65Å; A145-Y149 WeakPolarHBondContact O-CB 3.49Å; A145-Y149 PolarHBondContact O-N 3.08Å |
| 146 | A | 98 | Very high | 97.6 | Very high | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S142 K143 Y149 S150 | S142-A146 WeakPolarHBondContact O-CB 3.21Å; S142-A146 PolarHBondContact O-N 3.48Å; K143-A146 PolarHBondContact O-N 3.35Å; A146-Y149 PolarHBondContact O-N 2.73Å; A146-S150 WeakPolarHBondContact O-CB 3.31Å; A146-S150 PolarHBondContact O-N 2.57Å; A146-S150 PolarHBondContact O-OG 2.83Å |
| 147 | Y | 98.1 | Very high | 97.4 | Very high | 181 Ų | 181 | 103.4 Ų | 103.4 | 71% | 0.71 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.8 | -44.4 | 176 | -172.9 | -101.7 | 0 | 0 | 0 | 111.9 | K143 I144 A145 Y149 S150 A151 | K143-Y147 WeakPolarHBondContact O-CB 3.02Å; K143-Y147 PolarHBondContact O-N 3.4Å; I144-Y147 PolarHBondContact O-N 3.32Å; A145-Y147 VanDerWaalsContact C-N 3.31Å; A145-Y147 PolarHBondContact O-N 3.48Å; Y147-Y149 VanDerWaalsContact C-N 3.33Å; Y147-Y149 PolarHBondContact O-N 2.75Å; Y147-S150 WeakPolarHBondContact O-CB 3.25Å; Y147-S150 PolarHBondContact O-N 3.12Å; Y147-A151 PolarHBondContact O-N 2.87Å |
| 148 | A | 98.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 104.8 Ų | 104.8 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.1 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I144 A145 S150 A151 I152 | I144-A148 PolarHBondContact O-N 3.06Å; A145-A148 PolarHBondContact O-N 2.65Å; A148-S150 VanDerWaalsContact C-N 3.31Å; A148-S150 PolarHBondContact O-N 2.79Å; A148-A151 WeakPolarHBondContact O-CB 3.47Å; A148-A151 PolarHBondContact O-N 3.13Å; A148-I152 WeakPolarHBondContact O-CG1 3.16Å; A148-I152 PolarHBondContact O-N 3.04Å |
| 149 | Y | 97.4 | Very high | 97.1 | Very high | 177 Ų | 177 | 106 Ų | 106 | 69% | 0.694 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.9 | -42.4 | 175.1 | -175.5 | -97.9 | 0 | 0 | 0 | 112.1 | A145 A146 Y147 A151 I152 S153 | A145-Y149 WeakPolarHBondContact O-CB 3.49Å; A145-Y149 PolarHBondContact O-N 3.08Å; A146-Y149 PolarHBondContact O-N 2.73Å; Y147-Y149 VanDerWaalsContact C-N 3.33Å; Y147-Y149 PolarHBondContact O-N 2.75Å; Y149-A151 VanDerWaalsContact C-N 3.32Å; Y149-A151 PolarHBondContact O-N 2.89Å; Y149-I152 PolarHBondContact O-N 3.21Å; Y149-S153 PolarHBondContact O-N 3.48Å |
| 150 | S | 97.6 | Very high | 97 | Very high | 67 Ų | 67 | 109.5 Ų | 109.5 | 47% | 0.469 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -38 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 112 | A146 Y147 A148 S153 | A146-S150 WeakPolarHBondContact O-CB 3.31Å; A146-S150 PolarHBondContact O-N 2.57Å; A146-S150 PolarHBondContact O-OG 2.83Å; Y147-S150 WeakPolarHBondContact O-CB 3.25Å; Y147-S150 PolarHBondContact O-N 3.12Å; A148-S150 VanDerWaalsContact C-N 3.31Å; A148-S150 PolarHBondContact O-N 2.79Å; S150-S153 WeakPolarHBondContact O-CB 3.42Å; S150-S153 PolarHBondContact O-N 3.1Å; S150-S153 PolarHBondContact O-OG 3.2Å |
| 151 | A | 97.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 111.6 Ų | 111.6 | 41% | 0.413 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y147 A148 Y149 S153 Q154 | Y147-A151 PolarHBondContact O-N 2.87Å; A148-A151 WeakPolarHBondContact O-CB 3.47Å; A148-A151 PolarHBondContact O-N 3.13Å; Y149-A151 VanDerWaalsContact C-N 3.32Å; Y149-A151 PolarHBondContact O-N 2.89Å; A151-S153 PolarHBondContact O-N 3.07Å; A151-Q154 WeakPolarHBondContact O-CB 3.35Å; A151-Q154 PolarHBondContact O-N 3.48Å |
| 152 | I | 97.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 114.2 Ų | 114.2 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.3 | -33.9 | 176.5 | -67.4 | 167 | 0 | 0 | 0 | 111.3 | A148 Y149 Q154 I155 | A148-I152 WeakPolarHBondContact O-CG1 3.16Å; A148-I152 PolarHBondContact O-N 3.04Å; Y149-I152 PolarHBondContact O-N 3.21Å; I152-Q154 PolarHBondContact O-N 3.33Å; I152-Q154 VanDerWaalsContact O-N 3.13Å; I152-I155 HydrophobicContact CG2-CD1 4.46Å; I152-I155 WeakPolarHBondContact O-CB 3.38Å; I152-I155 WeakPolarHBondContact O-CG1 3.48Å; I152-I155 PolarHBondContact O-N 3.11Å |
| 153 | S | 93.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 119.2 Ų | 119.2 | 51% | 0.51 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | -17.4 | 176.8 | 77.1 | 0 | 0 | 0 | 0 | 114.3 | Y149 S150 A151 I155 | Y149-S153 PolarHBondContact O-N 3.48Å; S150-S153 WeakPolarHBondContact O-CB 3.42Å; S150-S153 PolarHBondContact O-N 3.1Å; S150-S153 PolarHBondContact O-OG 3.2Å; A151-S153 PolarHBondContact O-N 3.07Å; S153-I155 VanDerWaalsContact C-N 3.3Å |
| 154 | Q | 95.3 | Very high | 95.9 | Very high | 132 Ų | 132 | 116.5 Ų | 116.5 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -9.6 | 174.4 | -55.3 | -61.1 | -18.8 | 0 | 0 | 112.7 | A151 I152 K156 | A151-Q154 WeakPolarHBondContact O-CB 3.35Å; A151-Q154 PolarHBondContact O-N 3.48Å; I152-Q154 PolarHBondContact O-N 3.33Å; I152-Q154 VanDerWaalsContact O-N 3.13Å; Q154-K156 PolarHBondContact O-N 2.97Å |
| 155 | I | 96.6 | Very high | 95.6 | Very high | 144 Ų | 144 | 115.9 Ų | 115.9 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | trans | -77.7 | 79.8 | 173.2 | -52.4 | 174.6 | 0 | 0 | 0 | 107.8 | I152 S153 | I152-I155 HydrophobicContact CG2-CD1 4.46Å; I152-I155 WeakPolarHBondContact O-CB 3.38Å; I152-I155 WeakPolarHBondContact O-CG1 3.48Å; I152-I155 PolarHBondContact O-N 3.11Å; S153-I155 VanDerWaalsContact C-N 3.3Å | ||
| 156 | K | 95.3 | Very high | 95.1 | Very high | 134 Ų | 134 | 121.8 Ų | 121.8 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -144 | 157.3 | 177.3 | 64.9 | -176.2 | -178 | -178.7 | 0 | 109.7 | Q154 | Q154-K156 PolarHBondContact O-N 2.97Š|
| 157 | V | 95.6 | Very high | 94.6 | Very high | 141 Ų | 141 | 128 Ų | 128 | 86% | 0.855 | 66% | 0.663 | S | S | * | * | trans | -86.3 | 119.8 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | A159 | V157-A159 PolarHBondContact O-N 3.34Š| ||
| 158 | D | 95.6 | Very high | 93.9 | Very high | 100 Ų | 100 | 123.8 Ų | 123.8 | 54% | 0.535 | 67% | 0.665 | S | S | . | * | trans | -76.6 | 113.6 | 172 | -72.6 | -28.2 | 0 | 0 | 0 | 109.5 | K160 | D158-K160 PolarHBondContact O-N 3.05Š| ||
| 159 | A | 94.7 | Very high | 92.7 | Very high | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 69% | 0.686 | S | S | * | * | trans | -64.5 | 123 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V157 | V157-A159 PolarHBondContact O-N 3.34Š| ||
| 160 | K | 95.3 | Very high | 91.4 | Very high | 178 Ų | 178 | 130 Ų | 130 | 77% | 0.774 | 71% | 0.712 | S | S | * | * | trans | -105.2 | -38.6 | 176.5 | -62.4 | -58.7 | -179.6 | -171.5 | 0 | 112.7 | D158 | D158-K160 PolarHBondContact O-N 3.05Š| ||
| 161 | E | 93.9 | Very high | 91.1 | Very high | 168 Ų | 168 | 133.2 Ų | 133.2 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -138.1 | 158.3 | -176 | -64.5 | 178.3 | -179.6 | 0 | 0 | 109.5 | L163 | E161-L163 PolarHBondContact O-N 3.44Š|
| 162 | E | 90.4 | Very high | 90.7 | Very high | 153 Ų | 153 | 137.5 Ų | 137.5 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | trans | -75.7 | 121.5 | 176 | -161.5 | 177.9 | -167.2 | 0 | 0 | 109.6 | V164 | E162-V164 VanDerWaalsContact C-N 3.26Å; E162-V164 WeakPolarHBondContact CG-O 3.45Å; E162-V164 PolarHBondContact O-N 2.98Å; E162-V164 VanDerWaalsContact OE1-O 3.1Å | ||
| 163 | L | 93.6 | Very high | 90.4 | Very high | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -79 | -11.9 | 179.5 | -60.9 | -179.4 | 0 | 0 | 0 | 113 | E161 | E161-L163 PolarHBondContact O-N 3.44Š|
| 164 | V | 93.4 | Very high | 90.2 | Very high | 111 Ų | 111 | 143.3 Ų | 143.3 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | trans | -133.8 | 114.7 | -176.3 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | E162 | E162-V164 VanDerWaalsContact C-N 3.26Å; E162-V164 WeakPolarHBondContact CG-O 3.45Å; E162-V164 PolarHBondContact O-N 2.98Å; E162-V164 VanDerWaalsContact OE1-O 3.1Å | ||
| 165 | V | 91.9 | Very high | 89.9 | Confident | 89 Ų | 89 | 144 Ų | 144 | 54% | 0.539 | 78% | 0.776 | S | S | . | * | trans | -105.6 | 130.1 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 166 | Q | 87.7 | Confident | 89.4 | Confident | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -88 | 116.9 | 173.4 | -167.9 | 161.2 | 25.9 | 0 | 0 | 110.2 | A168 | Q166-A168 PolarHBondContact O-N 3.35Š| ||
| 167 | F | 87.4 | Confident | 89 | Confident | 187 Ų | 187 | 144.7 Ų | 144.7 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 114.6 | 171.4 | -65 | -84 | 0 | 0 | 0 | 109.1 | ||||
| 168 | A | 83.9 | Confident | 88.5 | Confident | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -100.8 | 138.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q166 | Q166-A168 PolarHBondContact O-N 3.35Š| ||
| 169 | I | 72.5 | Confident | 87.9 | Confident | 164 Ų | 164 | 148.8 Ų | 148.8 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -87 | 131.3 | 173.1 | -54.7 | 172.4 | 0 | 0 | 0 | 107 | ||||
| 170 | P | 70.5 | Confident | 87.3 | Confident | 192 Ų | 192 | 153.5 Ų | 153.5 | 100% | 1.247 | 81% | 0.81 | S | S | * | * | trans | -64 | 0 | 179.4 | 25.8 | -33.4 | 0 | 0 | 0 | 113.7 |
Retrieved 170 of 170 residues in 133.7 ms
(Link to these results)