| 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 | 40.2 | Very low | 46.8 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 100% | 1.158 | 80% | 0.803 | S | S | * | * | 0 | 76.6 | 0 | -68.3 | 158.5 | 110.3 | 0 | 0 | 105.7 | |||||
| 2 | T | 49.2 | Very low | 46.2 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | 76.9 | 89.8 | 111.4 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 3 | D | 48 | Very low | 45.8 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 148.6 | 155.6 | -56.3 | -59.5 | 0 | 0 | 0 | 110.2 | ||||
| 4 | P | 59.4 | Low | 45.6 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -104.9 | 108.4 | 150.9 | 28.9 | -18.5 | 0 | 0 | 0 | 110.1 | ||||
| 5 | T | 41.1 | Very low | 45.4 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -51.9 | 132.1 | 159.1 | -159.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 6 | T | 46.5 | Very low | 45.2 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -113.8 | 102.8 | 164.9 | -59 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 7 | S | 48.7 | Very low | 45 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 56% | 0.559 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 137.3 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | P | 49.8 | Very low | 44.5 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -90.7 | 100.2 | 169.4 | 32.1 | -24.2 | 0 | 0 | 0 | 109.4 | ||||
| 9 | E | 43.9 | Very low | 44.3 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -101.2 | 123.2 | 168.7 | -65.8 | -148.8 | 149 | 0 | 0 | 111.2 | ||||
| 10 | D | 43.9 | Very low | 43.9 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | 46.1 | 101.7 | 141.3 | -59.2 | -30 | 0 | 0 | 0 | 119.8 | ||||
| 11 | H | 44.2 | Very low | 43.7 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -132.9 | 61.4 | 161.4 | -135.9 | 95.4 | 0 | 0 | 0 | 111.4 | K13 | H11-K13 VanDerWaalsContact C-N 3.26Å; H11-K13 PolarHBondContact O-N 3.27Å | ||
| 12 | W | 39.2 | Very low | 43.5 | Very low | 208 Ų | 208 | 134.5 Ų | 134.5 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | -88.8 | 41.8 | 170 | 61.8 | -90.1 | 0 | 0 | 0 | 112.5 | T14 | W12-T14 VanDerWaalsContact C-N 3.28Å; W12-T14 PolarHBondContact O-N 3.34Å | ||
| 13 | K | 41.1 | Very low | 42.9 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -71.6 | 89.3 | 170.9 | -78.4 | -175.9 | 176 | 179.4 | 0 | 110.2 | H11 D15 | H11-K13 VanDerWaalsContact C-N 3.26Å; H11-K13 PolarHBondContact O-N 3.27Å; K13-D15 PolarHBondContact O-N 3.44Å | ||
| 14 | T | 43.2 | Very low | 42.6 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -70.2 | 103.5 | 163.9 | -52.9 | 0 | 0 | 0 | 0 | 107.8 | W12 G16 | W12-T14 VanDerWaalsContact C-N 3.28Å; W12-T14 PolarHBondContact O-N 3.34Å; T14-G16 PolarHBondContact O-N 3.34Å; T14-G16 VanDerWaalsContact O-N 3.17Å | ||
| 15 | D | 43.2 | Very low | 42 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -67.5 | 111 | 166.7 | -70.3 | -42.7 | 0 | 0 | 0 | 108.6 | K13 | K13-D15 PolarHBondContact O-N 3.44Š| ||
| 16 | G | 40.9 | Very low | 42 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 127.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T14 | T14-G16 PolarHBondContact O-N 3.34Å; T14-G16 VanDerWaalsContact O-N 3.17Å | ||
| 17 | A | 42.3 | Very low | 41.6 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 176.4 | 87.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | F | 35.5 | Very low | 41.3 | Very low | 212 Ų | 212 | 144 Ų | 144 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 125.7 | 144.9 | -150.3 | -95 | 0 | 0 | 0 | 109.1 | ||||
| 19 | S | 42.1 | Very low | 40.9 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -59.1 | 135.2 | -162.7 | -59.1 | 0 | 0 | 0 | 0 | 114 | N21 | S19-N21 PolarHBondContact O-N 2.95Š| ||
| 20 | D | 35.5 | Very low | 40.5 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -40.9 | 105 | 150 | 179 | 29.3 | 0 | 0 | 0 | 111.6 | G22 | D20-G22 PolarHBondContact OD1-N 3.49Š| ||
| 21 | N | 39.3 | Very low | 40 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -105.9 | 87.9 | 153.9 | -90.6 | 30.4 | 0 | 0 | 0 | 106.7 | S19 F23 | S19-N21 PolarHBondContact O-N 2.95Å; N21-F23 PolarHBondContact O-N 2.98Å | ||
| 22 | G | 35.7 | Very low | 39.9 | Very low | 51 Ų | 51 | 140.3 Ų | 140.3 | 53% | 0.526 | 78% | 0.779 | S | S | . | * | trans | -47.8 | 120.2 | 166 | 0 | 0 | 0 | 0 | 0 | 110.5 | D20 D24 | D20-G22 PolarHBondContact OD1-N 3.49Å; G22-D24 PolarHBondContact O-N 2.9Å; G22-D24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | F | 38.4 | Very low | 40.2 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 92.7 | 169.3 | -154.8 | -93.5 | 0 | 0 | 0 | 106.7 | N21 T25 | N21-F23 PolarHBondContact O-N 2.98Å; F23-T25 PolarHBondContact O-N 3.43Å; F23-T25 VanDerWaalsContact O-N 3.09Å; F23-T25 PolarHBondContact O-OG1 3.49Å | ||
| 24 | D | 41.1 | Very low | 40.2 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -54.8 | 115.4 | -179 | -83.6 | -48.8 | 0 | 0 | 0 | 111.2 | G22 S26 | G22-D24 PolarHBondContact O-N 2.9Å; G22-D24 VanDerWaalsContact O-N 3.12Å; D24-S26 VanDerWaalsContact C-N 3.25Å; D24-S26 PolarHBondContact O-N 3.2Å | ||
| 25 | T | 46.5 | Very low | 40.2 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -90.9 | 56.3 | 176.8 | -48.1 | 0 | 0 | 0 | 0 | 109.2 | F23 | F23-T25 PolarHBondContact O-N 3.43Å; F23-T25 VanDerWaalsContact O-N 3.09Å; F23-T25 PolarHBondContact O-OG1 3.49Å | ||
| 26 | S | 40.7 | Very low | 40.2 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | trans | -136.7 | 18.4 | -174.2 | 63.9 | 0 | 0 | 0 | 0 | 115.5 | D24 F28 | D24-S26 VanDerWaalsContact C-N 3.25Å; D24-S26 PolarHBondContact O-N 3.2Å; S26-F28 VanDerWaalsContact C-N 3.3Å; S26-F28 PolarHBondContact O-N 3.33Å | ||
| 27 | F | 37.6 | Very low | 40.9 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -86.9 | 8.5 | 176.7 | -160.8 | -102.5 | 0 | 0 | 0 | 114.7 | ||||
| 28 | F | 44.3 | Very low | 41.2 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -123.5 | 72.4 | 178.5 | -86 | -85.5 | 0 | 0 | 0 | 111.4 | S26 | S26-F28 VanDerWaalsContact C-N 3.3Å; S26-F28 PolarHBondContact O-N 3.33Å |
| 29 | T | 39.5 | Very low | 41.8 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -169.2 | 134.3 | 146.4 | 36.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 30 | D | 36.4 | Very low | 42.2 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 75.4 | 89.6 | 165.4 | -69.1 | -51.2 | 0 | 0 | 0 | 119.7 | ||||
| 31 | T | 33.4 | Very low | 42.7 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | -144.5 | 85.4 | 128.6 | -34.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 32 | A | 41.3 | Very low | 43.1 | Very low | 79 Ų | 79 | 146.5 Ų | 146.5 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | trans | -81 | 130 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 33 | R | 47 | Very low | 43.7 | Very low | 238 Ų | 238 | 148.6 Ų | 148.6 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | 86.8 | 104.3 | 159.7 | -54.4 | 177 | 177.3 | 176 | -0.2 | 118.1 | ||||
| 34 | K | 40.9 | Very low | 44.4 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | -170.1 | 136.6 | 95.3 | -127.6 | 173.3 | 177.1 | -177.2 | 0 | 109.8 | |||||
| 35 | G | 42.3 | Very low | 44.4 | Very low | 81 Ų | 81 | 144.2 Ų | 144.2 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -68.3 | 155.3 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 36 | S | 44 | Very low | 44.6 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -156.1 | 99.8 | 150.8 | -165.4 | 0 | 0 | 0 | 0 | 108 | V38 | S36-V38 PolarHBondContact O-N 3.41Å; S36-V38 VanDerWaalsContact OG-CG2 3.25Å; S36-V38 WeakPolarHBondContact OG-CG2 3.06Å | ||
| 37 | I | 55.1 | Low | 44.9 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | trans | -66.7 | 109.5 | 161 | 42.7 | 135.5 | 0 | 0 | 0 | 107.5 | ||||
| 38 | V | 48.2 | Very low | 45.4 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | trans | -132.4 | 124 | 165.5 | -159.8 | 0 | 0 | 0 | 0 | 109.2 | S36 | S36-V38 PolarHBondContact O-N 3.41Å; S36-V38 VanDerWaalsContact OG-CG2 3.25Å; S36-V38 WeakPolarHBondContact OG-CG2 3.06Å | ||
| 39 | S | 48.1 | Very low | 45.7 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -53 | 146.7 | -172.7 | -53.3 | 0 | 0 | 0 | 0 | 114 | A41 | S39-A41 PolarHBondContact O-N 3.05Å; S39-A41 VanDerWaalsContact O-N 3.13Å | ||
| 40 | R | 51.1 | Low | 46.4 | Very low | 257 Ų | 257 | 136.8 Ų | 136.8 | 97% | 0.97 | 82% | 0.819 | S | S | * | * | trans | -59.1 | 110.5 | 161.9 | -66.4 | 175.2 | 168.5 | 177.6 | -4.5 | 108.8 | ||||
| 41 | A | 46 | Very low | 47 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | trans | -98.7 | 104.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109 | S39 S43 | S39-A41 PolarHBondContact O-N 3.05Å; S39-A41 VanDerWaalsContact O-N 3.13Å; A41-S43 PolarHBondContact O-N 3.41Å | ||
| 42 | N | 48.4 | Very low | 48.3 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | trans | -73.1 | 111.9 | 153.3 | -130.4 | 34.3 | 0 | 0 | 0 | 105.7 | ||||
| 43 | S | 46.5 | Very low | 49 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | trans | -138.9 | 105.7 | 166.2 | 72.5 | 0 | 0 | 0 | 0 | 110.8 | A41 | A41-S43 PolarHBondContact O-N 3.41Š| ||
| 44 | I | 54.6 | Low | 49.2 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 92% | 0.923 | 81% | 0.808 | S | S | * | * | trans | -40 | 129.5 | 139.9 | 47.8 | 169.1 | 0 | 0 | 0 | 109.7 | ||||
| 45 | G | 41.1 | Very low | 49.9 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | -173.9 | 86.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T47 | G45-T47 PolarHBondContact O-N 3.49Š| ||
| 46 | S | 49.4 | Very low | 50.8 | Low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -48.1 | 118.9 | 165.7 | -52 | 0 | 0 | 0 | 0 | 110.3 | S48 | S46-S48 PolarHBondContact O-N 3.06Š| ||
| 47 | T | 47.8 | Very low | 51.5 | Low | 144 Ų | 144 | 132.9 Ų | 132.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -92.8 | 91.2 | 167.8 | 46.9 | 0 | 0 | 0 | 0 | 109.2 | G45 | G45-T47 PolarHBondContact O-N 3.49Š| ||
| 48 | S | 48.8 | Very low | 51.6 | Low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -80 | 116.5 | 155.6 | -61.3 | 0 | 0 | 0 | 0 | 108 | S46 | S46-S48 PolarHBondContact O-N 3.06Š| ||
| 49 | A | 49.8 | Very low | 52.3 | Low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | 171.4 | 108.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 50 | S | 54.8 | Low | 52.8 | Low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | 175.6 | 99.2 | 128.2 | -179 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 51 | S | 48.6 | Very low | 52.8 | Low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -91.4 | 114.6 | 171.5 | 37.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 52 | V | 60.5 | Low | 53.2 | Low | 110 Ų | 110 | 131 Ų | 131 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | trans | -106.1 | 110.9 | 161.4 | -160.8 | 0 | 0 | 0 | 0 | 106 | N54 | V52-N54 PolarHBondContact O-N 2.92Å; V52-N54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | P | 55.6 | Low | 53.5 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -78.9 | 98.3 | 172.7 | 29.8 | -26.8 | 0 | 0 | 0 | 107.4 | ||||
| 54 | N | 51.8 | Low | 53.9 | Low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -74 | 132.8 | 164.9 | -80.2 | -8.9 | 0 | 0 | 0 | 108.2 | V52 D56 | V52-N54 PolarHBondContact O-N 2.92Å; V52-N54 VanDerWaalsContact O-N 3.16Å; N54-D56 PolarHBondContact O-N 2.99Å | ||
| 55 | T | 55.2 | Low | 53.9 | Low | 135 Ų | 135 | 131.9 Ų | 131.9 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -50.7 | 127.2 | -176 | 46.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 56 | D | 62.6 | Low | 54.7 | Low | 156 Ų | 156 | 132.2 Ų | 132.2 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -76.1 | 109.3 | 168.2 | -177.1 | 32.2 | 0 | 0 | 0 | 108 | N54 | N54-D56 PolarHBondContact O-N 2.99Š| ||
| 57 | D | 58.6 | Low | 55.3 | Low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | -152.8 | 126.7 | 161.9 | -90.4 | -39.4 | 0 | 0 | 0 | 108.5 | ||||
| 58 | E | 56.4 | Low | 55.9 | Low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | trans | 98.1 | 95.2 | 170 | -55.8 | -61 | 152.5 | 0 | 0 | 118.8 | ||||
| 59 | D | 62.3 | Low | 56.7 | Low | 139 Ų | 139 | 130.6 Ų | 130.6 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | -86.2 | 120.4 | 164.1 | -178.8 | 19.1 | 0 | 0 | 0 | 109.8 | ||||
| 60 | S | 59 | Low | 57.6 | Low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 164.9 | 53.9 | 143.1 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 61 | D | 51.7 | Low | 58.5 | Low | 135 Ų | 135 | 127.9 Ų | 127.9 | 72% | 0.722 | 67% | 0.67 | S | S | * | * | trans | -163.1 | 14.1 | 164 | -94.8 | -28.6 | 0 | 0 | 0 | 115.2 | R63 H64 | D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 3.25Å; D61-H64 PolarHBondContact O-N 3.2Å | ||
| 62 | Y | 54.6 | Low | 59.8 | Low | 177 Ų | 177 | 129.1 Ų | 129.1 | 69% | 0.694 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.2 | -22.8 | -164.2 | -107.8 | -92.8 | 0 | 0 | 0 | 117 | T66 | Y62-T66 WeakPolarHBondContact O-CG2 3.4Å; Y62-T66 PolarHBondContact O-OG1 3.38Å |
| 63 | R | 54.3 | Low | 60.9 | Low | 235 Ų | 235 | 129.8 Ų | 129.8 | 89% | 0.887 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -79.8 | -25.7 | -176.3 | -94.2 | -87 | 176.7 | 160.4 | -3.8 | 113.4 | D61 T66 | D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 3.25Å; R63-T66 PolarHBondContact O-OG1 2.76Å |
| 64 | H | 55.3 | Low | 62.4 | Low | 120 Ų | 120 | 127.8 Ų | 127.8 | 56% | 0.556 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -90 | -40.9 | -178.5 | -167 | -104.7 | 0 | 0 | 0 | 111.3 | D61 T66 S67 Y68 | D61-H64 PolarHBondContact O-N 3.2Å; H64-T66 PolarHBondContact O-N 3.31Å; H64-S67 PolarHBondContact O-N 3.04Å; H64-Y68 AromaticContact CE1-CD2 3.74Å; H64-Y68 AromaticContact CE1-CE2 3.07Å; H64-Y68 WeakPolarHBondContact CE1-CE2 3.44Å; H64-Y68 AromaticContact CE1-CZ 3.7Å; H64-Y68 AromaticContact ND1-CD2 3.85Å; H64-Y68 AromaticContact ND1-CE2 3.66Å; H64-Y68 AromaticContact NE2-CE2 3.3Å; H64-Y68 VanDerWaalsContact NE2-CE2 3.3Å; H64-Y68 WeakPolarHBondContact NE2-CE2 3.35Å; H64-Y68 WeakPolarHBondContact O-CD2 3.4Å; H64-Y68 PolarHBondContact O-N 3.45Å |
| 65 | E | 54.7 | Low | 64.1 | Low | 116 Ų | 116 | 129.3 Ų | 129.3 | 54% | 0.542 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.4 | -31.2 | -175.6 | -173.4 | 150 | 170.8 | 0 | 0 | 114.4 | S67 Y68 K69 | E65-S67 PolarHBondContact O-N 3.47Å; E65-Y68 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact O-CB 3.46Å; E65-K69 PolarHBondContact O-N 3.27Å; E65-K69 IonicContact OE1-NZ 3.94Å |
| 66 | T | 57.7 | Low | 65.9 | Low | 69 Ų | 69 | 130.8 Ų | 130.8 | 42% | 0.423 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.8 | -42.5 | 173.3 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | Y62 R63 H64 Y68 K69 D70 | Y62-T66 WeakPolarHBondContact O-CG2 3.4Å; Y62-T66 PolarHBondContact O-OG1 3.38Å; R63-T66 PolarHBondContact O-OG1 2.76Å; H64-T66 PolarHBondContact O-N 3.31Å; T66-Y68 PolarHBondContact O-N 2.85Å; T66-K69 PolarHBondContact O-N 2.93Å; T66-D70 WeakPolarHBondContact O-CB 3.28Å; T66-D70 VanDerWaalsContact O-CG 3.31Å; T66-D70 PolarHBondContact O-N 2.77Å |
| 67 | S | 60.6 | Low | 67.4 | Low | 67 Ų | 67 | 131.9 Ų | 131.9 | 47% | 0.469 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.5 | -38.9 | 177.3 | -171.9 | 0 | 0 | 0 | 0 | 113.1 | H64 E65 S71 | H64-S67 PolarHBondContact O-N 3.04Å; E65-S67 PolarHBondContact O-N 3.47Å; S67-S71 WeakPolarHBondContact O-CB 3.29Å; S67-S71 PolarHBondContact O-N 3.24Å; S67-S71 PolarHBondContact O-OG 3.23Å |
| 68 | Y | 60.5 | Low | 69.1 | Low | 151 Ų | 151 | 129.9 Ų | 129.9 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.5 | -41 | 176.7 | -84.9 | -100.2 | 0 | 0 | 0 | 112.9 | H64 E65 T66 D70 S71 Y72 | H64-Y68 AromaticContact CE1-CD2 3.74Å; H64-Y68 AromaticContact CE1-CE2 3.07Å; H64-Y68 WeakPolarHBondContact CE1-CE2 3.44Å; H64-Y68 AromaticContact CE1-CZ 3.7Å; H64-Y68 AromaticContact ND1-CD2 3.85Å; H64-Y68 AromaticContact ND1-CE2 3.66Å; H64-Y68 AromaticContact NE2-CE2 3.3Å; H64-Y68 VanDerWaalsContact NE2-CE2 3.3Å; H64-Y68 WeakPolarHBondContact NE2-CE2 3.35Å; H64-Y68 WeakPolarHBondContact O-CD2 3.4Å; H64-Y68 PolarHBondContact O-N 3.45Å; E65-Y68 PolarHBondContact O-N 2.89Å; T66-Y68 PolarHBondContact O-N 2.85Å; Y68-D70 VanDerWaalsContact C-N 3.33Å; Y68-D70 PolarHBondContact O-N 3.13Å; Y68-S71 PolarHBondContact O-N 3.48Å; Y68-Y72 PolarHBondContact O-N 3.06Å |
| 69 | K | 66.9 | Low | 71 | Confident | 128 Ų | 128 | 124.6 Ų | 124.6 | 56% | 0.557 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.1 | -37.7 | 173.8 | -95.2 | 179.4 | 174.6 | 160.5 | 0 | 112.3 | E65 T66 Y72 K73 | E65-K69 WeakPolarHBondContact O-CB 3.46Å; E65-K69 PolarHBondContact O-N 3.27Å; E65-K69 IonicContact OE1-NZ 3.94Å; T66-K69 PolarHBondContact O-N 2.93Å; K69-Y72 PolarHBondContact O-N 3.43Å; K69-K73 WeakPolarHBondContact O-CG 3.37Å; K69-K73 PolarHBondContact O-N 3.44Å; K69-K73 VanDerWaalsContact O-N 3.1Å |
| 70 | D | 67.5 | Low | 72.6 | Confident | 93 Ų | 93 | 124.6 Ų | 124.6 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.7 | -38.3 | 176.4 | -74.1 | -21.1 | 0 | 0 | 0 | 111.9 | T66 Y68 Y72 K73 D74 | T66-D70 WeakPolarHBondContact O-CB 3.28Å; T66-D70 VanDerWaalsContact O-CG 3.31Å; T66-D70 PolarHBondContact O-N 2.77Å; Y68-D70 VanDerWaalsContact C-N 3.33Å; Y68-D70 PolarHBondContact O-N 3.13Å; D70-Y72 VanDerWaalsContact C-N 3.31Å; D70-Y72 PolarHBondContact O-N 2.99Å; D70-K73 PolarHBondContact O-N 2.98Å; D70-D74 WeakPolarHBondContact O-CB 3.33Å; D70-D74 PolarHBondContact O-N 2.94Å |
| 71 | S | 74.1 | Confident | 74.5 | Confident | 66 Ų | 66 | 124.3 Ų | 124.3 | 46% | 0.462 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.5 | -37.5 | 172.6 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | S67 Y68 R75 | S67-S71 WeakPolarHBondContact O-CB 3.29Å; S67-S71 PolarHBondContact O-N 3.24Å; S67-S71 PolarHBondContact O-OG 3.23Å; Y68-S71 PolarHBondContact O-N 3.48Å; S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 3.49Å |
| 72 | Y | 75.3 | Confident | 76.7 | Confident | 143 Ų | 143 | 124 Ų | 124 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71 | -42.2 | 176.5 | -174.2 | -97.7 | 0 | 0 | 0 | 112.5 | Y68 K69 D70 D74 R75 R76 | Y68-Y72 PolarHBondContact O-N 3.06Å; K69-Y72 PolarHBondContact O-N 3.43Å; D70-Y72 VanDerWaalsContact C-N 3.31Å; D70-Y72 PolarHBondContact O-N 2.99Å; Y72-D74 VanDerWaalsContact C-N 3.31Å; Y72-D74 PolarHBondContact O-N 3.06Å; Y72-R75 PolarHBondContact O-N 3.45Å; Y72-R76 PolarHBondContact O-N 2.87Å |
| 73 | K | 84.5 | Confident | 78.8 | Confident | 123 Ų | 123 | 118.5 Ų | 118.5 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 174.1 | -72.3 | 173.3 | -176.6 | 170.7 | 0 | 111.3 | K69 D70 R76 R77 | K69-K73 WeakPolarHBondContact O-CG 3.37Å; K69-K73 PolarHBondContact O-N 3.44Å; K69-K73 VanDerWaalsContact O-N 3.1Å; D70-K73 PolarHBondContact O-N 2.98Å; K73-R76 PolarHBondContact O-N 3.24Å; K73-R77 WeakPolarHBondContact O-CG 3.49Å; K73-R77 PolarHBondContact O-N 3.36Å |
| 74 | D | 86.3 | Confident | 80.9 | Confident | 78 Ų | 78 | 109.8 Ų | 109.8 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 177.1 | -166.8 | 60.1 | 0 | 0 | 0 | 111.5 | D70 Y72 R76 R77 Q78 | D70-D74 WeakPolarHBondContact O-CB 3.33Å; D70-D74 PolarHBondContact O-N 2.94Å; Y72-D74 VanDerWaalsContact C-N 3.31Å; Y72-D74 PolarHBondContact O-N 3.06Å; D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.36Å; D74-R77 WeakPolarHBondContact O-CB 3.48Å; D74-R77 PolarHBondContact O-N 3.37Å; D74-Q78 WeakPolarHBondContact O-CG 3.29Å; D74-Q78 PolarHBondContact O-N 3.24Å; D74-Q78 PolarHBondContact OD2-NE2 2.96Å |
| 75 | R | 88.2 | Confident | 83 | Confident | 176 Ų | 176 | 108.7 Ų | 108.7 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.7 | -41.6 | 173 | -170.7 | -179.3 | -59.5 | -170.6 | 1.7 | 112.5 | S71 Y72 Q78 A79 | S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 3.49Å; Y72-R75 PolarHBondContact O-N 3.45Å; R75-Q78 PolarHBondContact O-N 2.93Å; R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 2.87Å |
| 76 | R | 92.3 | Very high | 85.1 | Confident | 166 Ų | 166 | 110.9 Ų | 110.9 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 175.4 | -179.1 | 177.5 | -74.9 | 179.3 | -5.4 | 111.7 | Y72 K73 D74 A79 H80 | Y72-R76 PolarHBondContact O-N 2.87Å; K73-R76 PolarHBondContact O-N 3.24Å; D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.36Å; R76-A79 PolarHBondContact O-N 3Å; R76-H80 WeakPolarHBondContact O-CB 3.43Å; R76-H80 PolarHBondContact O-N 3.47Å |
| 77 | R | 94 | Very high | 87 | Confident | 180 Ų | 180 | 114.2 Ų | 114.2 | 68% | 0.679 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -46.7 | 175.2 | -73.4 | 177.9 | 179.8 | -76.3 | 1.2 | 111.3 | K73 D74 A79 H80 T81 | K73-R77 WeakPolarHBondContact O-CG 3.49Å; K73-R77 PolarHBondContact O-N 3.36Å; D74-R77 WeakPolarHBondContact O-CB 3.48Å; D74-R77 PolarHBondContact O-N 3.37Å; R77-A79 PolarHBondContact O-N 3.2Å; R77-H80 WeakPolarHBondContact O-CB 3.36Å; R77-H80 PolarHBondContact O-N 2.9Å; R77-T81 PolarHBondContact O-N 3.35Å; R77-T81 PolarHBondContact O-OG1 3Å; R77-T81 VanDerWaalsContact O-OG1 3.12Å |
| 78 | Q | 94.1 | Very high | 88.8 | Confident | 101 Ų | 101 | 118 Ų | 118 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 178.1 | -68.2 | 178.9 | 13 | 0 | 0 | 112 | D74 R75 H80 T81 Q82 | D74-Q78 WeakPolarHBondContact O-CG 3.29Å; D74-Q78 PolarHBondContact O-N 3.24Å; D74-Q78 PolarHBondContact OD2-NE2 2.96Å; R75-Q78 PolarHBondContact O-N 2.93Å; Q78-H80 VanDerWaalsContact C-N 3.32Å; Q78-H80 PolarHBondContact O-N 3.26Å; Q78-T81 PolarHBondContact O-N 3.46Å; Q78-Q82 WeakPolarHBondContact O-CB 3.35Å; Q78-Q82 VanDerWaalsContact O-CG 3.31Å; Q78-Q82 WeakPolarHBondContact O-CG 3.22Å; Q78-Q82 PolarHBondContact O-N 2.9Å; Q78-Q82 PolarHBondContact O-NE2 3.37Å |
| 79 | A | 96.3 | Very high | 90.6 | Very high | 55 Ų | 55 | 114.7 Ų | 114.7 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R75 R76 R77 Q82 A83 | R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 2.87Å; R76-A79 PolarHBondContact O-N 3Å; R77-A79 PolarHBondContact O-N 3.2Å; A79-Q82 PolarHBondContact O-N 2.81Å; A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 2.92Å |
| 80 | H | 97.9 | Very high | 92.2 | Very high | 139 Ų | 139 | 111.7 Ų | 111.7 | 64% | 0.644 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 175.6 | -177.4 | -82.1 | 0 | 0 | 0 | 112 | R76 R77 Q78 Q82 A83 E84 | R76-H80 WeakPolarHBondContact O-CB 3.43Å; R76-H80 PolarHBondContact O-N 3.47Å; R77-H80 WeakPolarHBondContact O-CB 3.36Å; R77-H80 PolarHBondContact O-N 2.9Å; Q78-H80 VanDerWaalsContact C-N 3.32Å; Q78-H80 PolarHBondContact O-N 3.26Å; H80-Q82 PolarHBondContact O-N 2.96Å; H80-A83 PolarHBondContact O-N 3.49Å; H80-E84 PolarHBondContact O-N 3.39Å |
| 81 | T | 97.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 110.6 Ų | 110.6 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -44 | 176 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | R77 Q78 E84 Q85 | R77-T81 PolarHBondContact O-N 3.35Å; R77-T81 PolarHBondContact O-OG1 3Å; R77-T81 VanDerWaalsContact O-OG1 3.12Å; Q78-T81 PolarHBondContact O-N 3.46Å; T81-E84 PolarHBondContact O-N 3.44Å; T81-Q85 WeakPolarHBondContact O-CB 3.48Å; T81-Q85 PolarHBondContact O-N 3.49Å |
| 82 | Q | 98.1 | Very high | 94.7 | Very high | 128 Ų | 128 | 113 Ų | 113 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 177.5 | -74.5 | 174.9 | 69.4 | 0 | 0 | 112.1 | Q78 A79 H80 Q85 K86 | Q78-Q82 WeakPolarHBondContact O-CB 3.35Å; Q78-Q82 VanDerWaalsContact O-CG 3.31Å; Q78-Q82 WeakPolarHBondContact O-CG 3.22Å; Q78-Q82 PolarHBondContact O-N 2.9Å; Q78-Q82 PolarHBondContact O-NE2 3.37Å; A79-Q82 PolarHBondContact O-N 2.81Å; H80-Q82 PolarHBondContact O-N 2.96Å; Q82-Q85 PolarHBondContact O-N 3.29Å; Q82-K86 WeakPolarHBondContact O-CB 3.4Å; Q82-K86 PolarHBondContact O-N 3.47Å |
| 83 | A | 98.4 | Very high | 95.8 | Very high | 62 Ų | 62 | 112.5 Ų | 112.5 | 51% | 0.512 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A79 H80 K86 R87 | A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 2.92Å; H80-A83 PolarHBondContact O-N 3.49Å; A83-K86 PolarHBondContact O-N 3.12Å; A83-R87 PolarHBondContact O-N 3.08Å |
| 84 | E | 98.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 108 Ų | 108 | 24% | 0.243 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 177.3 | 175.4 | 59 | -172.6 | 0 | 0 | 112.1 | H80 T81 R87 R88 | H80-E84 PolarHBondContact O-N 3.39Å; T81-E84 PolarHBondContact O-N 3.44Å; E84-R87 WeakPolarHBondContact O-CB 3.33Å; E84-R87 PolarHBondContact O-N 3.25Å; E84-R87 IonicContact OE1-NH1 3.14Å; E84-R87 PolarHBondContact OE1-NH1 2.96Å; E84-R87 VanDerWaalsContact OE1-NH1 3.14Å; E84-R87 IonicContact OE2-CZ 3.96Å; E84-R87 IonicContact OE2-NH1 2.99Å; E84-R87 PolarHBondContact OE2-NH1 3.25Å; E84-R88 WeakPolarHBondContact O-CG 3.27Å; E84-R88 PolarHBondContact O-N 3.27Å; E84-R88 IonicContact OE1-CZ 3.22Å; E84-R88 VanDerWaalsContact OE1-CZ 3.22Å; E84-R88 IonicContact OE1-NE 2.81Å; E84-R88 PolarHBondContact OE1-NE 3.04Å; E84-R88 IonicContact OE1-NH2 2.84Å; E84-R88 PolarHBondContact OE1-NH2 3.28Å |
| 85 | Q | 98.7 | Very high | 97 | Very high | 97 Ų | 97 | 106.4 Ų | 106.4 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 173.5 | -172.6 | 59.9 | 48.4 | 0 | 0 | 110.8 | T81 Q82 R87 R88 D89 | T81-Q85 WeakPolarHBondContact O-CB 3.48Å; T81-Q85 PolarHBondContact O-N 3.49Å; Q82-Q85 PolarHBondContact O-N 3.29Å; Q85-R87 VanDerWaalsContact C-N 3.26Å; Q85-R87 PolarHBondContact O-N 2.88Å; Q85-R88 WeakPolarHBondContact O-CA 3.46Å; Q85-R88 WeakPolarHBondContact O-CB 3.42Å; Q85-R88 PolarHBondContact O-N 2.95Å; Q85-D89 PolarHBondContact NE2-OD1 3.31Å; Q85-D89 VanDerWaalsContact O-CG 3.22Å; Q85-D89 PolarHBondContact O-N 2.95Å |
| 86 | K | 98.6 | Very high | 97.4 | Very high | 163 Ų | 163 | 101.4 Ų | 101.4 | 71% | 0.709 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.5 | -40.7 | 175.5 | -175.5 | 178.6 | -179.3 | 179.9 | 0 | 111.9 | Q82 A83 D89 A90 | Q82-K86 WeakPolarHBondContact O-CB 3.4Å; Q82-K86 PolarHBondContact O-N 3.47Å; A83-K86 PolarHBondContact O-N 3.12Å; K86-D89 PolarHBondContact O-N 3.43Å; K86-A90 WeakPolarHBondContact O-CB 3.5Å; K86-A90 PolarHBondContact O-N 3.44Å |
| 87 | R | 98.8 | Very high | 97.6 | Very high | 139 Ų | 139 | 97.3 Ų | 97.3 | 53% | 0.525 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.2 | 176.8 | 177.8 | 163.5 | -90.5 | -5.6 | 111.6 | A83 E84 Q85 A90 I91 | A83-R87 PolarHBondContact O-N 3.08Å; E84-R87 WeakPolarHBondContact O-CB 3.33Å; E84-R87 PolarHBondContact O-N 3.25Å; E84-R87 IonicContact OE1-NH1 3.14Å; E84-R87 PolarHBondContact OE1-NH1 2.96Å; E84-R87 VanDerWaalsContact OE1-NH1 3.14Å; E84-R87 IonicContact OE2-CZ 3.96Å; E84-R87 IonicContact OE2-NH1 2.99Å; E84-R87 PolarHBondContact OE2-NH1 3.25Å; Q85-R87 VanDerWaalsContact C-N 3.26Å; Q85-R87 PolarHBondContact O-N 2.88Å; R87-A90 PolarHBondContact O-N 2.89Å; R87-I91 HydrophobicContact CG-CD1 4.11Å; R87-I91 WeakPolarHBondContact O-CG1 3.34Å; R87-I91 PolarHBondContact O-N 3.07Å |
| 88 | R | 98.7 | Very high | 97.8 | Very high | 145 Ų | 145 | 90.5 Ų | 90.5 | 55% | 0.547 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178 | -73.5 | 176.8 | -174.2 | -105.6 | -9 | 112.2 | E84 Q85 I91 K92 | E84-R88 WeakPolarHBondContact O-CG 3.27Å; E84-R88 PolarHBondContact O-N 3.27Å; E84-R88 IonicContact OE1-CZ 3.22Å; E84-R88 VanDerWaalsContact OE1-CZ 3.22Å; E84-R88 IonicContact OE1-NE 2.81Å; E84-R88 PolarHBondContact OE1-NE 3.04Å; E84-R88 IonicContact OE1-NH2 2.84Å; E84-R88 PolarHBondContact OE1-NH2 3.28Å; Q85-R88 WeakPolarHBondContact O-CA 3.46Å; Q85-R88 WeakPolarHBondContact O-CB 3.42Å; Q85-R88 PolarHBondContact O-N 2.95Å; R88-I91 PolarHBondContact O-N 3.03Å; R88-K92 WeakPolarHBondContact O-CB 3.44Å; R88-K92 PolarHBondContact O-N 3.45Å |
| 89 | D | 98.6 | Very high | 97.8 | Very high | 83 Ų | 83 | 88.3 Ų | 88.3 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 178.9 | -63.2 | -23.6 | 0 | 0 | 0 | 111 | Q85 K86 I91 K92 K93 | Q85-D89 PolarHBondContact NE2-OD1 3.31Å; Q85-D89 VanDerWaalsContact O-CG 3.22Å; Q85-D89 PolarHBondContact O-N 2.95Å; K86-D89 PolarHBondContact O-N 3.43Å; D89-I91 PolarHBondContact O-N 3.14Å; D89-K92 PolarHBondContact O-N 3.39Å; D89-K93 WeakPolarHBondContact O-CB 3.41Å; D89-K93 PolarHBondContact O-N 3.4Å |
| 90 | A | 98.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 87.7 Ų | 87.7 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | K86 R87 K93 G94 | K86-A90 WeakPolarHBondContact O-CB 3.5Å; K86-A90 PolarHBondContact O-N 3.44Å; R87-A90 PolarHBondContact O-N 2.89Å; A90-K93 PolarHBondContact O-N 3.01Å; A90-G94 PolarHBondContact O-N 3.36Å |
| 91 | I | 98.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 86.2 Ų | 86.2 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.4 | -69.9 | 169.3 | 0 | 0 | 0 | 110.5 | R87 R88 D89 K93 G94 Y95 | R87-I91 HydrophobicContact CG-CD1 4.11Å; R87-I91 WeakPolarHBondContact O-CG1 3.34Å; R87-I91 PolarHBondContact O-N 3.07Å; R88-I91 PolarHBondContact O-N 3.03Å; D89-I91 PolarHBondContact O-N 3.14Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 2.8Å; I91-G94 PolarHBondContact O-N 3.16Å; I91-Y95 HydrophobicContact CG2-CD2 3.96Å; I91-Y95 HydrophobicContact CG2-CE2 3.75Å; I91-Y95 VanDerWaalsContact O-CD2 3.3Å; I91-Y95 WeakPolarHBondContact O-CD2 3.34Å; I91-Y95 PolarHBondContact O-N 3.01Å; I91-Y95 VanDerWaalsContact O-N 3.11Å |
| 92 | K | 97.8 | Very high | 97.6 | Very high | 116 Ų | 116 | 81.9 Ų | 81.9 | 50% | 0.504 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 178.5 | 174.2 | 164.3 | 171.5 | 27.2 | 0 | 110.9 | R88 D89 G94 Y95 D96 | R88-K92 WeakPolarHBondContact O-CB 3.44Å; R88-K92 PolarHBondContact O-N 3.45Å; D89-K92 PolarHBondContact O-N 3.39Å; K92-G94 VanDerWaalsContact C-N 3.3Å; K92-G94 PolarHBondContact O-N 3.4Å; K92-Y95 PolarHBondContact O-N 3.37Å; K92-Y95 VanDerWaalsContact O-N 3.12Å; K92-D96 IonicContact NZ-OD1 2.83Å; K92-D96 PolarHBondContact NZ-OD1 3.36Å; K92-D96 VanDerWaalsContact NZ-OD1 3.08Å; K92-D96 IonicContact NZ-OD2 3.86Å; K92-D96 PolarHBondContact NZ-OD2 3.03Å; K92-D96 PolarHBondContact O-N 3.08Å |
| 93 | K | 98.1 | Very high | 97.5 | Very high | 132 Ų | 132 | 77.8 Ų | 77.8 | 57% | 0.574 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57.2 | -44.8 | 174.9 | -170.7 | -168.4 | 173 | -159.9 | 0 | 111.3 | D89 A90 I91 Y95 D96 D97 | D89-K93 WeakPolarHBondContact O-CB 3.41Å; D89-K93 PolarHBondContact O-N 3.4Å; A90-K93 PolarHBondContact O-N 3.01Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 2.8Å; K93-Y95 VanDerWaalsContact C-N 3.28Å; K93-Y95 PolarHBondContact O-N 3.17Å; K93-D96 PolarHBondContact O-N 3.3Å; K93-D97 VanDerWaalsContact O-CG 3.3Å; K93-D97 PolarHBondContact O-N 2.95Å |
| 94 | G | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 77.6 Ų | 77.6 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.2 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A90 I91 K92 L98 | A90-G94 PolarHBondContact O-N 3.36Å; I91-G94 PolarHBondContact O-N 3.16Å; K92-G94 VanDerWaalsContact C-N 3.3Å; K92-G94 PolarHBondContact O-N 3.4Å; G94-L98 WeakPolarHBondContact O-CB 2.98Å; G94-L98 VanDerWaalsContact O-CG 3.27Å; G94-L98 WeakPolarHBondContact O-CG 3.47Å; G94-L98 PolarHBondContact O-N 3.2Å |
| 95 | Y | 97.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 75.2 Ų | 75.2 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 173.6 | -82.5 | -78.4 | 0 | 0 | 0 | 113.1 | I91 K92 K93 D97 L98 Q99 K120 I123 L124 | I91-Y95 HydrophobicContact CG2-CD2 3.96Å; I91-Y95 HydrophobicContact CG2-CE2 3.75Å; I91-Y95 VanDerWaalsContact O-CD2 3.3Å; I91-Y95 WeakPolarHBondContact O-CD2 3.34Å; I91-Y95 PolarHBondContact O-N 3.01Å; I91-Y95 VanDerWaalsContact O-N 3.11Å; K92-Y95 PolarHBondContact O-N 3.37Å; K92-Y95 VanDerWaalsContact O-N 3.12Å; K93-Y95 VanDerWaalsContact C-N 3.28Å; K93-Y95 PolarHBondContact O-N 3.17Å; Y95-D97 VanDerWaalsContact C-N 3.32Å; Y95-L98 PolarHBondContact O-N 3Å; Y95-Q99 WeakPolarHBondContact O-CG 2.87Å; Y95-Q99 PolarHBondContact O-N 2.95Å; Y95-K120 HydrophobicContact CD1-CB 4.4Å; Y95-K120 HydrophobicContact CD1-CG 4.15Å; Y95-K120 HydrophobicContact CE1-CB 3.63Å; Y95-K120 HydrophobicContact CE1-CD 4.33Å; Y95-K120 HydrophobicContact CE1-CG 3.76Å; Y95-K120 HydrophobicContact CE2-CD 4.04Å; Y95-K120 HydrophobicContact CE2-CG 4.32Å; Y95-I123 HydrophobicContact CD1-CB 4.25Å; Y95-I123 HydrophobicContact CD1-CD1 3.8Å; Y95-I123 HydrophobicContact CD1-CG2 4.08Å; Y95-I123 HydrophobicContact CE1-CB 4.48Å; Y95-L124 HydrophobicContact CE1-CD2 4.11Å; Y95-L124 HydrophobicContact CE1-CG 4.05Å |
| 96 | D | 95.5 | Very high | 96.5 | Very high | 71 Ų | 71 | 74 Ų | 74 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.5 | -60.6 | -26.9 | 0 | 0 | 0 | 109.7 | K92 K93 Q99 G100 | K92-D96 IonicContact NZ-OD1 2.83Å; K92-D96 PolarHBondContact NZ-OD1 3.36Å; K92-D96 VanDerWaalsContact NZ-OD1 3.08Å; K92-D96 IonicContact NZ-OD2 3.86Å; K92-D96 PolarHBondContact NZ-OD2 3.03Å; K92-D96 PolarHBondContact O-N 3.08Å; K93-D96 PolarHBondContact O-N 3.3Å; D96-Q99 PolarHBondContact O-N 3.44Å; D96-G100 PolarHBondContact O-N 2.85Å; D96-G100 VanDerWaalsContact O-N 3.14Å |
| 97 | D | 97.1 | Very high | 95.9 | Very high | 81 Ų | 81 | 72 Ų | 72 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174.4 | -67.3 | -19.5 | 0 | 0 | 0 | 111.4 | K93 Y95 Q99 G100 I101 | K93-D97 VanDerWaalsContact O-CG 3.3Å; K93-D97 PolarHBondContact O-N 2.95Å; Y95-D97 VanDerWaalsContact C-N 3.32Å; D97-Q99 VanDerWaalsContact C-N 3.3Å; D97-Q99 PolarHBondContact O-N 2.93Å; D97-G100 PolarHBondContact O-N 2.84Å; D97-I101 WeakPolarHBondContact O-CG1 3.37Å; D97-I101 PolarHBondContact O-N 2.67Å; D97-I101 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 97.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 69.6 Ų | 69.6 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 176.2 | -75.8 | 179.9 | 0 | 0 | 0 | 112.1 | G94 Y95 G100 I101 V102 I123 L124 T127 | G94-L98 WeakPolarHBondContact O-CB 2.98Å; G94-L98 VanDerWaalsContact O-CG 3.27Å; G94-L98 WeakPolarHBondContact O-CG 3.47Å; G94-L98 PolarHBondContact O-N 3.2Å; Y95-L98 PolarHBondContact O-N 3Å; L98-G100 PolarHBondContact O-N 3.17Å; L98-I101 HydrophobicContact CD2-CD1 4.32Å; L98-I101 PolarHBondContact O-N 3.17Å; L98-V102 VanDerWaalsContact O-CB 3.27Å; L98-V102 WeakPolarHBondContact O-CB 3.49Å; L98-V102 VanDerWaalsContact O-CG2 3.22Å; L98-V102 WeakPolarHBondContact O-CG2 3.46Å; L98-V102 PolarHBondContact O-N 3.07Å; L98-I123 HydrophobicContact CB-CG2 3.71Å; L98-I123 HydrophobicContact CD1-CG2 4.06Å; L98-L124 HydrophobicContact CD1-CD2 4.2Å; L98-T127 HydrophobicContact CD1-CG2 4.49Å; L98-T127 HydrophobicContact CD2-CG2 3.57Å |
| 99 | Q | 94.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 66 Ų | 66 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -34.5 | 175.1 | -75.2 | 179.6 | -17.3 | 0 | 0 | 112.2 | Y95 D96 D97 Q106 I118 I123 | Y95-Q99 WeakPolarHBondContact O-CG 2.87Å; Y95-Q99 PolarHBondContact O-N 2.95Å; D96-Q99 PolarHBondContact O-N 3.44Å; D97-Q99 VanDerWaalsContact C-N 3.3Å; D97-Q99 PolarHBondContact O-N 2.93Å; Q99-Q106 WeakPolarHBondContact O-CG 3.23Å; Q99-I118 HydrophobicContact CG-CG2 4.35Å; Q99-I123 HydrophobicContact CG-CD1 3.81Å; Q99-I123 HydrophobicContact CG-CG1 4.08Å; Q99-I123 VanDerWaalsContact NE2-CD1 3.26Å |
| 100 | G | 94.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -78.8 | -19.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D96 D97 L98 Q106 | D96-G100 PolarHBondContact O-N 2.85Å; D96-G100 VanDerWaalsContact O-N 3.14Å; D97-G100 PolarHBondContact O-N 2.84Å; L98-G100 PolarHBondContact O-N 3.17Å; G100-Q106 PolarHBondContact O-NE2 3.42Å |
| 101 | I | 96.5 | Very high | 92 | Very high | 108 Ų | 108 | 75.1 Ų | 75.1 | 55% | 0.554 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -109.9 | -20.5 | -178.5 | 68.8 | 179.9 | 0 | 0 | 0 | 113.8 | D97 L98 P103 | D97-I101 WeakPolarHBondContact O-CG1 3.37Å; D97-I101 PolarHBondContact O-N 2.67Å; D97-I101 VanDerWaalsContact O-N 3.08Å; L98-I101 HydrophobicContact CD2-CD1 4.32Å; L98-I101 PolarHBondContact O-N 3.17Å; I101-P103 WeakPolarHBondContact O-CD 3.05Å |
| 102 | V | 97.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | trans | -89.8 | 111.7 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | L98 T104 C105 Q106 K126 T127 Y130 | L98-V102 VanDerWaalsContact O-CB 3.27Å; L98-V102 WeakPolarHBondContact O-CB 3.49Å; L98-V102 VanDerWaalsContact O-CG2 3.22Å; L98-V102 WeakPolarHBondContact O-CG2 3.46Å; L98-V102 PolarHBondContact O-N 3.07Å; V102-T104 VanDerWaalsContact C-N 3.28Å; V102-T104 PolarHBondContact O-N 2.83Å; V102-T104 VanDerWaalsContact O-N 3.16Å; V102-C105 HydrophobicContact CB-CB 4.06Å; V102-C105 HydrophobicContact CG1-CB 4.24Å; V102-C105 WeakPolarHBondContact O-CB 3.36Å; V102-C105 PolarHBondContact O-N 3.28Å; V102-Q106 PolarHBondContact O-N 3.38Å; V102-K126 HydrophobicContact CG1-CB 4.09Å; V102-T127 HydrophobicContact CG2-CG2 4.28Å; V102-Y130 HydrophobicContact CG1-CG 4.49Å; V102-Y130 HydrophobicContact CG2-CD1 4.16Å | ||
| 103 | P | 95.1 | Very high | 88.9 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.3 | -37.2 | -170.7 | -26.6 | 35.4 | 0 | 0 | 0 | 113.7 | I101 C105 Q106 Q107 Y130 | I101-P103 WeakPolarHBondContact O-CD 3.05Å; P103-C105 VanDerWaalsContact C-N 3.27Å; P103-C105 PolarHBondContact O-N 3.47Å; P103-Q106 PolarHBondContact O-N 3.11Å; P103-Q107 VanDerWaalsContact O-CG 3.3Å; P103-Q107 WeakPolarHBondContact O-CG 3.48Å; P103-Q107 PolarHBondContact O-N 2.85Å; P103-Y130 HydrophobicContact CG-CE2 3.96Å |
| 104 | T | 93 | Very high | 87 | Confident | 59 Ų | 59 | 71.5 Ų | 71.5 | 36% | 0.362 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -73.9 | -18.9 | -179.5 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | V102 K126 | V102-T104 VanDerWaalsContact C-N 3.28Å; V102-T104 PolarHBondContact O-N 2.83Å; V102-T104 VanDerWaalsContact O-N 3.16Å; T104-K126 PolarHBondContact O-NZ 3.06Å |
| 105 | C | 92.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -78.2 | -44.2 | 170 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | V102 P103 Q108 S109 I118 K126 | V102-C105 HydrophobicContact CB-CB 4.06Å; V102-C105 HydrophobicContact CG1-CB 4.24Å; V102-C105 WeakPolarHBondContact O-CB 3.36Å; V102-C105 PolarHBondContact O-N 3.28Å; P103-C105 VanDerWaalsContact C-N 3.27Å; P103-C105 PolarHBondContact O-N 3.47Å; C105-Q108 PolarHBondContact O-N 3.12Å; C105-S109 PolarHBondContact O-N 2.97Å; C105-S109 VanDerWaalsContact O-N 3.08Å; C105-I118 HydrophobicContact CB-CD1 4.5Å; C105-K126 VanDerWaalsContact SG-CD 3.59Å |
| 106 | Q | 89.4 | Confident | 83.9 | Confident | 73 Ų | 73 | 81 Ų | 81 | 34% | 0.341 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.6 | -53.1 | 177.8 | -64 | -179.5 | -60.2 | 0 | 0 | 111.7 | Q99 G100 V102 P103 Q108 S109 E110 | Q99-Q106 WeakPolarHBondContact O-CG 3.23Å; G100-Q106 PolarHBondContact O-NE2 3.42Å; V102-Q106 PolarHBondContact O-N 3.38Å; P103-Q106 PolarHBondContact O-N 3.11Å; Q106-Q108 PolarHBondContact O-N 3.05Å; Q106-S109 WeakPolarHBondContact O-CA 3.48Å; Q106-S109 PolarHBondContact O-N 3.24Å; Q106-S109 PolarHBondContact O-OG 3.37Å; Q106-E110 WeakPolarHBondContact O-CG 3.34Å; Q106-E110 PolarHBondContact O-N 3.42Å |
| 107 | Q | 85.8 | Confident | 83.3 | Confident | 120 Ų | 120 | 86.7 Ų | 86.7 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.9 | -39.6 | 179.7 | -71.2 | 170.6 | 11.1 | 0 | 0 | 112.5 | P103 E110 F111 | P103-Q107 VanDerWaalsContact O-CG 3.3Å; P103-Q107 WeakPolarHBondContact O-CG 3.48Å; P103-Q107 PolarHBondContact O-N 2.85Å; Q107-E110 PolarHBondContact O-N 2.98Å; Q107-F111 WeakPolarHBondContact O-CB 3.01Å; Q107-F111 PolarHBondContact O-N 2.86Å |
| 108 | Q | 83.4 | Confident | 83 | Confident | 89 Ų | 89 | 83.9 Ų | 83.9 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.9 | -33 | 178.5 | -173.4 | 168.1 | -1.3 | 0 | 0 | 112 | C105 Q106 A112 | C105-Q108 PolarHBondContact O-N 3.12Å; Q106-Q108 PolarHBondContact O-N 3.05Å; Q108-A112 WeakPolarHBondContact O-CB 3.34Å; Q108-A112 PolarHBondContact O-N 3.47Å; Q108-A112 VanDerWaalsContact O-N 3.13Å |
| 109 | S | 79.5 | Confident | 82.8 | Confident | 70 Ų | 70 | 85 Ų | 85 | 49% | 0.49 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.1 | -33.5 | 174.3 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | C105 Q106 | C105-S109 PolarHBondContact O-N 2.97Å; C105-S109 VanDerWaalsContact O-N 3.08Å; Q106-S109 WeakPolarHBondContact O-CA 3.48Å; Q106-S109 PolarHBondContact O-N 3.24Å; Q106-S109 PolarHBondContact O-OG 3.37Å |
| 110 | E | 76.3 | Confident | 82.8 | Confident | 153 Ų | 153 | 88.8 Ų | 88.8 | 72% | 0.715 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.7 | -39.3 | 177.8 | -70.4 | 175.1 | 176.6 | 0 | 0 | 112.2 | Q106 Q107 | Q106-E110 WeakPolarHBondContact O-CG 3.34Å; Q106-E110 PolarHBondContact O-N 3.42Å; Q107-E110 PolarHBondContact O-N 2.98Å |
| 111 | F | 73.9 | Confident | 82.9 | Confident | 185 Ų | 185 | 90.3 Ų | 90.3 | 81% | 0.811 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -84.1 | -18.1 | -178.5 | -165.7 | -99.1 | 0 | 0 | 0 | 113.5 | Q107 V113 | Q107-F111 WeakPolarHBondContact O-CB 3.01Å; Q107-F111 PolarHBondContact O-N 2.86Å; F111-V113 VanDerWaalsContact C-N 3.27Å; F111-V113 PolarHBondContact O-N 2.9Å |
| 112 | A | 73.8 | Confident | 82.9 | Confident | 39 Ų | 39 | 87.6 Ų | 87.6 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | trans | -70.7 | 85.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q108 G114 | Q108-A112 WeakPolarHBondContact O-CB 3.34Å; Q108-A112 PolarHBondContact O-N 3.47Å; Q108-A112 VanDerWaalsContact O-N 3.13Å; A112-G114 PolarHBondContact O-N 3.23Å | ||
| 113 | V | 57.8 | Low | 82.9 | Confident | 152 Ų | 152 | 87.7 Ų | 87.7 | 92% | 0.921 | 49% | 0.489 | S | S | * | . | trans | -67.5 | 85.5 | 167.4 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | F111 | F111-V113 VanDerWaalsContact C-N 3.27Å; F111-V113 PolarHBondContact O-N 2.9Å | ||
| 114 | G | 58.5 | Low | 83.1 | Confident | 51 Ų | 51 | 89.4 Ų | 89.4 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | S | Bend | trans | 131.7 | 150.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A112 Q116 | A112-G114 PolarHBondContact O-N 3.23Å; G114-Q116 PolarHBondContact O-N 3.09Å |
| 115 | A | 58.5 | Low | 83.3 | Confident | 102 Ų | 102 | 91.4 Ų | 91.4 | 84% | 0.843 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -62.9 | 22.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | K117 | A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 3.41Å |
| 116 | Q | 72.3 | Confident | 83.6 | Confident | 171 Ų | 171 | 93.3 Ų | 93.3 | 80% | 0.799 | 51% | 0.509 | S | S | * | . | trans | -73 | 85.9 | 173.1 | -76.5 | -75.2 | -52.1 | 0 | 0 | 109.7 | G114 I118 | G114-Q116 PolarHBondContact O-N 3.09Å; Q116-I118 PolarHBondContact O-N 3.14Å | ||
| 117 | K | 82.5 | Confident | 84 | Confident | 190 Ų | 190 | 90.7 Ų | 90.7 | 83% | 0.826 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 131 | 173.6 | -65.5 | -179.7 | 178.3 | 178.2 | 0 | 109.8 | A115 S119 | A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 3.41Å; K117-S119 PolarHBondContact O-N 3.38Å |
| 118 | I | 90.3 | Very high | 84.6 | Confident | 23 Ų | 23 | 88.7 Ų | 88.7 | 12% | 0.118 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 136.9 | 171.5 | -175 | 173.3 | 0 | 0 | 0 | 110.6 | Q99 C105 Q116 T122 I123 K126 | Q99-I118 HydrophobicContact CG-CG2 4.35Å; C105-I118 HydrophobicContact CB-CD1 4.5Å; Q116-I118 PolarHBondContact O-N 3.14Å; I118-T122 HydrophobicContact CD1-CG2 3.77Å; I118-T122 HydrophobicContact CG1-CG2 3.8Å; I118-I123 HydrophobicContact CB-CG1 4.5Å; I118-I123 HydrophobicContact CD1-CG1 4.14Å; I118-I123 HydrophobicContact CG1-CG1 4.1Å; I118-I123 HydrophobicContact CG2-CD1 3.95Å; I118-I123 HydrophobicContact CG2-CG1 3.71Å; I118-K126 HydrophobicContact CD1-CD 3.77Å |
| 119 | S | 94.1 | Very high | 85.3 | Confident | 59 Ų | 59 | 88.5 Ų | 88.5 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 152.1 | -177 | 90.2 | 0 | 0 | 0 | 0 | 112 | K117 A121 T122 I123 | K117-S119 PolarHBondContact O-N 3.38Å; S119-A121 VanDerWaalsContact C-N 3.29Å; S119-A121 PolarHBondContact O-N 2.83Å; S119-T122 WeakPolarHBondContact O-CB 3.3Å; S119-T122 PolarHBondContact O-N 3.08Å; S119-T122 VanDerWaalsContact O-N 3.1Å; S119-T122 WeakPolarHBondContact OG-CB 3.47Å; S119-T122 PolarHBondContact OG-N 2.94Å; S119-T122 VanDerWaalsContact OG-N 3.1Å; S119-T122 PolarHBondContact OG-OG1 3.22Å; S119-I123 WeakPolarHBondContact O-CG1 3.27Å; S119-I123 PolarHBondContact O-N 3.01Å |
| 120 | K | 95.1 | Very high | 86.2 | Confident | 135 Ų | 135 | 88.3 Ų | 88.3 | 59% | 0.587 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.3 | -43.8 | 175.9 | -71.8 | -176.6 | 178.8 | 179.4 | 0 | 112.4 | Y95 T122 I123 L124 | Y95-K120 HydrophobicContact CD1-CB 4.4Å; Y95-K120 HydrophobicContact CD1-CG 4.15Å; Y95-K120 HydrophobicContact CE1-CB 3.63Å; Y95-K120 HydrophobicContact CE1-CD 4.33Å; Y95-K120 HydrophobicContact CE1-CG 3.76Å; Y95-K120 HydrophobicContact CE2-CD 4.04Å; Y95-K120 HydrophobicContact CE2-CG 4.32Å; K120-T122 VanDerWaalsContact C-N 3.32Å; K120-T122 PolarHBondContact O-N 2.95Å; K120-I123 PolarHBondContact O-N 3.36Å; K120-L124 WeakPolarHBondContact O-CG 3.36Å; K120-L124 PolarHBondContact O-N 3.13Å; K120-L124 VanDerWaalsContact O-N 3.08Å |
| 121 | A | 96.9 | Very high | 87.3 | Confident | 73 Ų | 73 | 84.8 Ų | 84.8 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S119 L124 Q125 | S119-A121 VanDerWaalsContact C-N 3.29Å; S119-A121 PolarHBondContact O-N 2.83Å; A121-L124 PolarHBondContact O-N 2.8Å; A121-Q125 PolarHBondContact O-N 3.01Å |
| 122 | T | 96 | Very high | 88.4 | Confident | 51 Ų | 51 | 81.5 Ų | 81.5 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 177.5 | -48.1 | 0 | 0 | 0 | 0 | 112 | I118 S119 K120 L124 Q125 K126 | I118-T122 HydrophobicContact CD1-CG2 3.77Å; I118-T122 HydrophobicContact CG1-CG2 3.8Å; S119-T122 WeakPolarHBondContact O-CB 3.3Å; S119-T122 PolarHBondContact O-N 3.08Å; S119-T122 VanDerWaalsContact O-N 3.1Å; S119-T122 WeakPolarHBondContact OG-CB 3.47Å; S119-T122 PolarHBondContact OG-N 2.94Å; S119-T122 VanDerWaalsContact OG-N 3.1Å; S119-T122 PolarHBondContact OG-OG1 3.22Å; K120-T122 VanDerWaalsContact C-N 3.32Å; K120-T122 PolarHBondContact O-N 2.95Å; T122-L124 VanDerWaalsContact C-N 3.33Å; T122-L124 PolarHBondContact O-N 2.7Å; T122-Q125 PolarHBondContact O-N 3.42Å; T122-K126 HydrophobicContact CG2-CD 4.17Å; T122-K126 HydrophobicContact CG2-CG 4.42Å; T122-K126 WeakPolarHBondContact O-CB 3.34Å; T122-K126 WeakPolarHBondContact O-CG 3.43Å; T122-K126 PolarHBondContact O-N 3.22Å |
| 123 | I | 96.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 84.7 Ų | 84.7 | 2% | 0.021 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.4 | -63.5 | 162.3 | 0 | 0 | 0 | 109.9 | Y95 L98 Q99 I118 S119 K120 Q125 K126 T127 | Y95-I123 HydrophobicContact CD1-CB 4.25Å; Y95-I123 HydrophobicContact CD1-CD1 3.8Å; Y95-I123 HydrophobicContact CD1-CG2 4.08Å; Y95-I123 HydrophobicContact CE1-CB 4.48Å; L98-I123 HydrophobicContact CB-CG2 3.71Å; L98-I123 HydrophobicContact CD1-CG2 4.06Å; Q99-I123 HydrophobicContact CG-CD1 3.81Å; Q99-I123 HydrophobicContact CG-CG1 4.08Å; Q99-I123 VanDerWaalsContact NE2-CD1 3.26Å; I118-I123 HydrophobicContact CB-CG1 4.5Å; I118-I123 HydrophobicContact CD1-CG1 4.14Å; I118-I123 HydrophobicContact CG1-CG1 4.1Å; I118-I123 HydrophobicContact CG2-CD1 3.95Å; I118-I123 HydrophobicContact CG2-CG1 3.71Å; S119-I123 WeakPolarHBondContact O-CG1 3.27Å; S119-I123 PolarHBondContact O-N 3.01Å; K120-I123 PolarHBondContact O-N 3.36Å; I123-Q125 PolarHBondContact O-N 3.38Å; I123-K126 PolarHBondContact O-N 3.08Å; I123-T127 WeakPolarHBondContact O-CB 3.49Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 3.03Å |
| 124 | L | 98.3 | Very high | 91.5 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 40% | 0.403 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 179.1 | -66.3 | 178.4 | 0 | 0 | 0 | 111.6 | Y95 L98 K120 A121 T122 T127 I128 | Y95-L124 HydrophobicContact CE1-CD2 4.11Å; Y95-L124 HydrophobicContact CE1-CG 4.05Å; L98-L124 HydrophobicContact CD1-CD2 4.2Å; K120-L124 WeakPolarHBondContact O-CG 3.36Å; K120-L124 PolarHBondContact O-N 3.13Å; K120-L124 VanDerWaalsContact O-N 3.08Å; A121-L124 PolarHBondContact O-N 2.8Å; T122-L124 VanDerWaalsContact C-N 3.33Å; T122-L124 PolarHBondContact O-N 2.7Å; L124-T127 WeakPolarHBondContact O-CB 3.42Å; L124-T127 PolarHBondContact O-N 3.48Å; L124-I128 WeakPolarHBondContact O-CG1 3.27Å; L124-I128 PolarHBondContact O-N 3.5Å |
| 125 | Q | 98.2 | Very high | 93.4 | Very high | 102 Ų | 102 | 84.6 Ų | 84.6 | 48% | 0.477 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 178.5 | -172.9 | 59.6 | 55 | 0 | 0 | 111.8 | A121 T122 I123 T127 I128 D129 | A121-Q125 PolarHBondContact O-N 3.01Å; T122-Q125 PolarHBondContact O-N 3.42Å; I123-Q125 PolarHBondContact O-N 3.38Å; Q125-T127 PolarHBondContact O-N 3.01Å; Q125-I128 WeakPolarHBondContact O-CB 3.22Å; Q125-I128 PolarHBondContact O-N 3.35Å; Q125-I128 VanDerWaalsContact O-N 3.11Å; Q125-D129 PolarHBondContact NE2-OD1 2.98Å; Q125-D129 VanDerWaalsContact NE2-OD1 3.13Å; Q125-D129 VanDerWaalsContact O-CG 3.26Å; Q125-D129 PolarHBondContact O-N 3.27Å |
| 126 | K | 97.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 87.4 Ų | 87.4 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.1 | -34.2 | 176.9 | -74.5 | 177.9 | -178.2 | -114.3 | 0 | 112.3 | V102 T104 C105 I118 T122 I123 Y130 | V102-K126 HydrophobicContact CG1-CB 4.09Å; T104-K126 PolarHBondContact O-NZ 3.06Å; C105-K126 VanDerWaalsContact SG-CD 3.59Å; I118-K126 HydrophobicContact CD1-CD 3.77Å; T122-K126 HydrophobicContact CG2-CD 4.17Å; T122-K126 HydrophobicContact CG2-CG 4.42Å; T122-K126 WeakPolarHBondContact O-CB 3.34Å; T122-K126 WeakPolarHBondContact O-CG 3.43Å; T122-K126 PolarHBondContact O-N 3.22Å; I123-K126 PolarHBondContact O-N 3.08Å; K126-Y130 VanDerWaalsContact O-CB 3.32Å; K126-Y130 WeakPolarHBondContact O-CB 3.32Å; K126-Y130 PolarHBondContact O-N 3.29Å |
| 127 | T | 98.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 82.2 Ų | 82.2 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 175.7 | -55.8 | 0 | 0 | 0 | 0 | 111 | L98 V102 I123 L124 Q125 D129 Y130 I131 | L98-T127 HydrophobicContact CD1-CG2 4.49Å; L98-T127 HydrophobicContact CD2-CG2 3.57Å; V102-T127 HydrophobicContact CG2-CG2 4.28Å; I123-T127 WeakPolarHBondContact O-CB 3.49Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 3.03Å; L124-T127 WeakPolarHBondContact O-CB 3.42Å; L124-T127 PolarHBondContact O-N 3.48Å; Q125-T127 PolarHBondContact O-N 3.01Å; T127-D129 VanDerWaalsContact C-N 3.33Å; T127-D129 PolarHBondContact O-N 2.85Å; T127-Y130 PolarHBondContact O-N 3.43Å; T127-I131 HydrophobicContact CG2-CD1 4.2Å; T127-I131 WeakPolarHBondContact O-CG1 3.42Å; T127-I131 PolarHBondContact O-N 2.84Å |
| 128 | I | 98.6 | Very high | 97.3 | Very high | 78 Ų | 78 | 79 Ų | 79 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 176.3 | -68.9 | 163.3 | 0 | 0 | 0 | 110.2 | L124 Q125 Y130 I131 H132 | L124-I128 WeakPolarHBondContact O-CG1 3.27Å; L124-I128 PolarHBondContact O-N 3.5Å; Q125-I128 WeakPolarHBondContact O-CB 3.22Å; Q125-I128 PolarHBondContact O-N 3.35Å; Q125-I128 VanDerWaalsContact O-N 3.11Å; I128-Y130 VanDerWaalsContact C-N 3.27Å; I128-Y130 PolarHBondContact O-N 2.82Å; I128-I131 PolarHBondContact O-N 3.29Å; I128-H132 VanDerWaalsContact CG2-CE1 3.42Å; I128-H132 WeakPolarHBondContact CG2-CE1 3.17Å; I128-H132 PolarHBondContact O-N 3.34Å; I128-H132 PolarHBondContact O-ND1 2.92Å |
| 129 | D | 98.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 83.9 Ų | 83.9 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 178.3 | -60 | -21.9 | 0 | 0 | 0 | 111.2 | Q125 T127 H132 F133 | Q125-D129 PolarHBondContact NE2-OD1 2.98Å; Q125-D129 VanDerWaalsContact NE2-OD1 3.13Å; Q125-D129 VanDerWaalsContact O-CG 3.26Å; Q125-D129 PolarHBondContact O-N 3.27Å; T127-D129 VanDerWaalsContact C-N 3.33Å; T127-D129 PolarHBondContact O-N 2.85Å; D129-H132 PolarHBondContact O-N 3.48Å; D129-F133 PolarHBondContact O-N 3.48Å |
| 130 | Y | 98.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 85.7 Ų | 85.7 | 26% | 0.259 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 177 | -173.7 | -128.1 | 0 | 0 | 0 | 112.7 | V102 P103 K126 T127 I128 H132 F133 L134 | V102-Y130 HydrophobicContact CG1-CG 4.49Å; V102-Y130 HydrophobicContact CG2-CD1 4.16Å; P103-Y130 HydrophobicContact CG-CE2 3.96Å; K126-Y130 VanDerWaalsContact O-CB 3.32Å; K126-Y130 WeakPolarHBondContact O-CB 3.32Å; K126-Y130 PolarHBondContact O-N 3.29Å; T127-Y130 PolarHBondContact O-N 3.43Å; I128-Y130 VanDerWaalsContact C-N 3.27Å; I128-Y130 PolarHBondContact O-N 2.82Å; Y130-H132 VanDerWaalsContact C-N 3.34Å; Y130-H132 PolarHBondContact O-N 3.44Å; Y130-F133 AromaticContact CD2-CD1 3.97Å; Y130-F133 HydrophobicContact CD2-CD1 3.97Å; Y130-F133 AromaticContact CE2-CD1 3.9Å; Y130-F133 HydrophobicContact CE2-CD1 3.9Å; Y130-F133 HydrophobicContact CE2-CE1 4.34Å; Y130-F133 WeakPolarHBondContact O-CB 3.47Å; Y130-F133 PolarHBondContact O-N 3.11Å; Y130-L134 HydrophobicContact CD1-CD1 4.05Å; Y130-L134 HydrophobicContact CD2-CG 4.37Å; Y130-L134 HydrophobicContact CE1-CD1 3.71Å; Y130-L134 HydrophobicContact CE1-CG 4.21Å; Y130-L134 HydrophobicContact CE2-CD1 4.45Å; Y130-L134 HydrophobicContact CE2-CD2 4.05Å; Y130-L134 HydrophobicContact CE2-CG 4.05Å; Y130-L134 WeakPolarHBondContact O-CG 3.44Å; Y130-L134 PolarHBondContact O-N 2.96Å |
| 131 | I | 98.5 | Very high | 98.1 | Very high | 80 Ų | 80 | 84.4 Ų | 84.4 | 41% | 0.41 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 172.9 | -69.5 | 165.9 | 0 | 0 | 0 | 110.4 | T127 I128 F133 L134 H135 | T127-I131 HydrophobicContact CG2-CD1 4.2Å; T127-I131 WeakPolarHBondContact O-CG1 3.42Å; T127-I131 PolarHBondContact O-N 2.84Å; I128-I131 PolarHBondContact O-N 3.29Å; I131-F133 VanDerWaalsContact C-N 3.31Å; I131-F133 PolarHBondContact O-N 2.67Å; I131-L134 PolarHBondContact O-N 3.48Å; I131-H135 PolarHBondContact O-N 3.08Å |
| 132 | H | 98.6 | Very high | 98.1 | Very high | 116 Ų | 116 | 86.2 Ų | 86.2 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.1 | -66.4 | 136.8 | 0 | 0 | 0 | 112.2 | I128 D129 Y130 H135 K136 | I128-H132 VanDerWaalsContact CG2-CE1 3.42Å; I128-H132 WeakPolarHBondContact CG2-CE1 3.17Å; I128-H132 PolarHBondContact O-N 3.34Å; I128-H132 PolarHBondContact O-ND1 2.92Å; D129-H132 PolarHBondContact O-N 3.48Å; Y130-H132 VanDerWaalsContact C-N 3.34Å; Y130-H132 PolarHBondContact O-N 3.44Å; H132-H135 PolarHBondContact O-N 3.27Å; H132-K136 PolarHBondContact O-N 2.98Å; H132-K136 VanDerWaalsContact O-N 3.09Å |
| 133 | F | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 89 Ų | 89 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 174.1 | 170.4 | -95.2 | 0 | 0 | 0 | 111.8 | D129 Y130 I131 H135 K136 E137 | D129-F133 PolarHBondContact O-N 3.48Å; Y130-F133 AromaticContact CD2-CD1 3.97Å; Y130-F133 HydrophobicContact CD2-CD1 3.97Å; Y130-F133 AromaticContact CE2-CD1 3.9Å; Y130-F133 HydrophobicContact CE2-CD1 3.9Å; Y130-F133 HydrophobicContact CE2-CE1 4.34Å; Y130-F133 WeakPolarHBondContact O-CB 3.47Å; Y130-F133 PolarHBondContact O-N 3.11Å; I131-F133 VanDerWaalsContact C-N 3.31Å; I131-F133 PolarHBondContact O-N 2.67Å; F133-H135 VanDerWaalsContact C-N 3.31Å; F133-H135 PolarHBondContact O-N 3.21Å; F133-K136 WeakPolarHBondContact O-CB 3.44Å; F133-K136 PolarHBondContact O-N 2.94Å; F133-K136 VanDerWaalsContact O-N 3.14Å; F133-E137 HydrophobicContact CZ-CB 4.47Å; F133-E137 PolarHBondContact O-N 3.34Å |
| 134 | L | 98.3 | Very high | 98.3 | Very high | 77 Ų | 77 | 93.4 Ų | 93.4 | 40% | 0.403 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 178.6 | -72.1 | 175.8 | 0 | 0 | 0 | 112.1 | Y130 I131 E137 K138 | Y130-L134 HydrophobicContact CD1-CD1 4.05Å; Y130-L134 HydrophobicContact CD2-CG 4.37Å; Y130-L134 HydrophobicContact CE1-CD1 3.71Å; Y130-L134 HydrophobicContact CE1-CG 4.21Å; Y130-L134 HydrophobicContact CE2-CD1 4.45Å; Y130-L134 HydrophobicContact CE2-CD2 4.05Å; Y130-L134 HydrophobicContact CE2-CG 4.05Å; Y130-L134 WeakPolarHBondContact O-CG 3.44Å; Y130-L134 PolarHBondContact O-N 2.96Å; I131-L134 PolarHBondContact O-N 3.48Å; L134-E137 PolarHBondContact O-N 3.19Å; L134-K138 VanDerWaalsContact O-CB 3.23Å; L134-K138 WeakPolarHBondContact O-CB 3.49Å; L134-K138 PolarHBondContact O-N 3.1Å |
| 135 | H | 98.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 92.9 Ų | 92.9 | 57% | 0.569 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 174.2 | -72.6 | 173.2 | 0 | 0 | 0 | 112.4 | I131 H132 F133 K139 | I131-H135 PolarHBondContact O-N 3.08Å; H132-H135 PolarHBondContact O-N 3.27Å; F133-H135 VanDerWaalsContact C-N 3.31Å; F133-H135 PolarHBondContact O-N 3.21Å; H135-K139 WeakPolarHBondContact O-CB 3.37Å; H135-K139 PolarHBondContact O-N 2.93Å; H135-K139 VanDerWaalsContact O-N 3.07Å |
| 136 | K | 98.4 | Very high | 98.3 | Very high | 162 Ų | 162 | 90.6 Ų | 90.6 | 70% | 0.704 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 176.9 | -175.9 | -178.3 | 177.9 | -177 | 0 | 111.4 | H132 F133 K139 K140 | H132-K136 PolarHBondContact O-N 2.98Å; H132-K136 VanDerWaalsContact O-N 3.09Å; F133-K136 WeakPolarHBondContact O-CB 3.44Å; F133-K136 PolarHBondContact O-N 2.94Å; F133-K136 VanDerWaalsContact O-N 3.14Å; K136-K139 PolarHBondContact O-N 2.94Å; K136-K140 PolarHBondContact O-N 3.24Å |
| 137 | E | 98.2 | Very high | 98.3 | Very high | 61 Ų | 61 | 92.1 Ų | 92.1 | 29% | 0.285 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | -178 | -165.3 | 69.7 | 166.3 | 0 | 0 | 111.7 | F133 L134 K139 K140 Q141 | F133-E137 HydrophobicContact CZ-CB 4.47Å; F133-E137 PolarHBondContact O-N 3.34Å; L134-E137 PolarHBondContact O-N 3.19Å; E137-K139 PolarHBondContact O-N 3.13Å; E137-K140 PolarHBondContact O-N 3.33Å; E137-Q141 WeakPolarHBondContact O-CG 3.36Å; E137-Q141 PolarHBondContact O-N 3.25Å |
| 138 | K | 98.4 | Very high | 98.3 | Very high | 122 Ų | 122 | 96 Ų | 96 | 53% | 0.53 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 171.9 | 177.9 | -179 | 168.4 | 179.6 | 0 | 111.3 | L134 K140 Q141 E142 | L134-K138 VanDerWaalsContact O-CB 3.23Å; L134-K138 WeakPolarHBondContact O-CB 3.49Å; L134-K138 PolarHBondContact O-N 3.1Å; K138-K140 VanDerWaalsContact C-N 3.34Å; K138-K140 PolarHBondContact O-N 2.97Å; K138-Q141 PolarHBondContact O-N 3.49Å; K138-E142 WeakPolarHBondContact CE-OE1 3.36Å; K138-E142 IonicContact NZ-OE1 3.97Å; K138-E142 WeakPolarHBondContact O-CG 3.46Å; K138-E142 PolarHBondContact O-N 3.3Å |
| 139 | K | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 100.9 Ų | 100.9 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 178.6 | -179.8 | 177.1 | 175.1 | 178.9 | 0 | 111.8 | H135 K136 E137 Q141 E142 E143 | H135-K139 WeakPolarHBondContact O-CB 3.37Å; H135-K139 PolarHBondContact O-N 2.93Å; H135-K139 VanDerWaalsContact O-N 3.07Å; K136-K139 PolarHBondContact O-N 2.94Å; E137-K139 PolarHBondContact O-N 3.13Å; K139-Q141 PolarHBondContact O-N 2.73Å; K139-E142 PolarHBondContact O-N 3.45Å; K139-E143 WeakPolarHBondContact CE-OE1 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.3Å; K139-E143 PolarHBondContact O-N 3.05Å |
| 140 | K | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 42% | 0.422 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 176.8 | 178.4 | -174.5 | 162 | -161.1 | 0 | 111.4 | K136 E137 K138 E142 E143 E144 | K136-K140 PolarHBondContact O-N 3.24Å; E137-K140 PolarHBondContact O-N 3.33Å; K138-K140 VanDerWaalsContact C-N 3.34Å; K138-K140 PolarHBondContact O-N 2.97Å; K140-E142 VanDerWaalsContact C-N 3.35Å; K140-E142 PolarHBondContact O-N 2.91Å; K140-E143 PolarHBondContact O-N 3.38Å; K140-E144 WeakPolarHBondContact CE-OE1 3.4Å; K140-E144 IonicContact NZ-OE1 3.08Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.22Å |
| 141 | Q | 98.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 105.5 Ų | 105.5 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 177.5 | -70.9 | 174.3 | -1.8 | 0 | 0 | 112.3 | E137 K138 K139 E143 E144 V145 | E137-Q141 WeakPolarHBondContact O-CG 3.36Å; E137-Q141 PolarHBondContact O-N 3.25Å; K138-Q141 PolarHBondContact O-N 3.49Å; K139-Q141 PolarHBondContact O-N 2.73Å; Q141-E143 VanDerWaalsContact C-N 3.35Å; Q141-E143 PolarHBondContact O-N 3.38Å; Q141-E144 PolarHBondContact O-N 3.49Å; Q141-V145 WeakPolarHBondContact O-CB 3.5Å; Q141-V145 VanDerWaalsContact O-CG2 3.27Å; Q141-V145 WeakPolarHBondContact O-CG2 3.4Å; Q141-V145 PolarHBondContact O-N 3.48Å |
| 142 | E | 98.1 | Very high | 98.2 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.6 | -72.9 | 172 | 173.7 | 0 | 0 | 112.1 | K138 K139 K140 S146 | K138-E142 WeakPolarHBondContact CE-OE1 3.36Å; K138-E142 IonicContact NZ-OE1 3.97Å; K138-E142 WeakPolarHBondContact O-CG 3.46Å; K138-E142 PolarHBondContact O-N 3.3Å; K139-E142 PolarHBondContact O-N 3.45Å; K140-E142 VanDerWaalsContact C-N 3.35Å; K140-E142 PolarHBondContact O-N 2.91Å; E142-S146 PolarHBondContact O-N 3.36Å; E142-S146 VanDerWaalsContact O-N 3.08Å |
| 143 | E | 97.9 | Very high | 98.1 | Very high | 109 Ų | 109 | 105.5 Ų | 105.5 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -46 | 174.4 | -71.7 | 173.1 | -170.3 | 0 | 0 | 111.7 | K139 K140 Q141 V145 S146 V147 | K139-E143 WeakPolarHBondContact CE-OE1 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.3Å; K139-E143 PolarHBondContact O-N 3.05Å; K140-E143 PolarHBondContact O-N 3.38Å; Q141-E143 VanDerWaalsContact C-N 3.35Å; Q141-E143 PolarHBondContact O-N 3.38Å; E143-V145 VanDerWaalsContact C-N 3.35Å; E143-V145 PolarHBondContact O-N 3.34Å; E143-S146 WeakPolarHBondContact O-CB 3.44Å; E143-S146 PolarHBondContact O-N 2.95Å; E143-S146 VanDerWaalsContact O-N 3.12Å; E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 2.98Å |
| 144 | E | 98.1 | Very high | 98 | Very high | 97 Ų | 97 | 102.6 Ų | 102.6 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.5 | -74.3 | 176.3 | -170.2 | 0 | 0 | 111.8 | K140 Q141 S146 V147 L148 | K140-E144 WeakPolarHBondContact CE-OE1 3.4Å; K140-E144 IonicContact NZ-OE1 3.08Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.22Å; Q141-E144 PolarHBondContact O-N 3.49Å; E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 3.4Å; E144-V147 PolarHBondContact O-N 3.48Å; E144-L148 WeakPolarHBondContact O-CB 3.48Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 3Å |
| 145 | V | 98.5 | Very high | 97.9 | Very high | 66 Ų | 66 | 103.9 Ų | 103.9 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | Q141 E143 R149 | Q141-V145 WeakPolarHBondContact O-CB 3.5Å; Q141-V145 VanDerWaalsContact O-CG2 3.27Å; Q141-V145 WeakPolarHBondContact O-CG2 3.4Å; Q141-V145 PolarHBondContact O-N 3.48Å; E143-V145 VanDerWaalsContact C-N 3.35Å; E143-V145 PolarHBondContact O-N 3.34Å; V145-R149 HydrophobicContact CG1-CG 4.5Å; V145-R149 WeakPolarHBondContact O-CB 3.35Å; V145-R149 WeakPolarHBondContact O-CG 3.31Å; V145-R149 PolarHBondContact O-N 2.92Å |
| 146 | S | 97.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.5 | -176 | 0 | 0 | 0 | 0 | 112.1 | E142 E143 E144 R149 K150 | E142-S146 PolarHBondContact O-N 3.36Å; E142-S146 VanDerWaalsContact O-N 3.08Å; E143-S146 WeakPolarHBondContact O-CB 3.44Å; E143-S146 PolarHBondContact O-N 2.95Å; E143-S146 VanDerWaalsContact O-N 3.12Å; E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 3.4Å; S146-R149 PolarHBondContact O-N 3.45Å; S146-K150 WeakPolarHBondContact O-CG 3.46Å; S146-K150 PolarHBondContact O-N 2.73Å |
| 147 | V | 98.1 | Very high | 97.5 | Very high | 73 Ų | 73 | 101.2 Ų | 101.2 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -51.6 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | E143 E144 R149 K150 E151 | E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 2.98Å; E144-V147 PolarHBondContact O-N 3.48Å; V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 3.31Å; V147-K150 WeakPolarHBondContact O-CA 3.48Å; V147-K150 WeakPolarHBondContact O-CB 3.46Å; V147-K150 PolarHBondContact O-N 3.1Å; V147-E151 HydrophobicContact CG1-CG 4.46Å; V147-E151 PolarHBondContact O-N 3.12Å |
| 148 | L | 98.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 103.8 Ų | 103.8 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 179.8 | -71.6 | 170.8 | 0 | 0 | 0 | 112.1 | E144 K150 E151 V152 | E144-L148 WeakPolarHBondContact O-CB 3.48Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 3Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 3.43Å; L148-E151 PolarHBondContact O-N 2.91Å; L148-V152 WeakPolarHBondContact O-CB 3.48Å; L148-V152 VanDerWaalsContact O-CG2 3.29Å; L148-V152 WeakPolarHBondContact O-CG2 3.36Å; L148-V152 PolarHBondContact O-N 2.98Å |
| 149 | R | 98 | Very high | 97 | Very high | 182 Ų | 182 | 105.9 Ų | 105.9 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 174.3 | -77.1 | 173.2 | 179.9 | -174 | 1.5 | 112.4 | V145 S146 V147 M153 | V145-R149 HydrophobicContact CG1-CG 4.5Å; V145-R149 WeakPolarHBondContact O-CB 3.35Å; V145-R149 WeakPolarHBondContact O-CG 3.31Å; V145-R149 PolarHBondContact O-N 2.92Å; S146-R149 PolarHBondContact O-N 3.45Å; V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 3.31Å; R149-M153 PolarHBondContact O-N 2.85Å |
| 150 | K | 97.7 | Very high | 96.7 | Very high | 142 Ų | 142 | 104.2 Ų | 104.2 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 176.2 | -69 | 171 | -176.2 | 175.3 | 0 | 111.3 | S146 V147 L148 M153 A154 | S146-K150 WeakPolarHBondContact O-CG 3.46Å; S146-K150 PolarHBondContact O-N 2.73Å; V147-K150 WeakPolarHBondContact O-CA 3.48Å; V147-K150 WeakPolarHBondContact O-CB 3.46Å; V147-K150 PolarHBondContact O-N 3.1Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-K150 PolarHBondContact O-N 3.43Å; K150-M153 PolarHBondContact O-N 3.02Å; K150-A154 PolarHBondContact O-N 3.36Å |
| 151 | E | 97.6 | Very high | 96.5 | Very high | 104 Ų | 104 | 104.8 Ų | 104.8 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 176.5 | -70.3 | -179.5 | 179.2 | 0 | 0 | 111.7 | V147 L148 M153 A154 L155 | V147-E151 HydrophobicContact CG1-CG 4.46Å; V147-E151 PolarHBondContact O-N 3.12Å; L148-E151 PolarHBondContact O-N 2.91Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 3.44Å; E151-A154 PolarHBondContact O-N 2.76Å; E151-L155 WeakPolarHBondContact O-CB 3.39Å; E151-L155 VanDerWaalsContact O-CG 3.3Å; E151-L155 WeakPolarHBondContact O-CG 3.3Å; E151-L155 PolarHBondContact O-N 3.42Å |
| 152 | V | 98.1 | Very high | 96 | Very high | 73 Ų | 73 | 101 Ų | 101 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 175.4 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | L148 L155 K156 | L148-V152 WeakPolarHBondContact O-CB 3.48Å; L148-V152 VanDerWaalsContact O-CG2 3.29Å; L148-V152 WeakPolarHBondContact O-CG2 3.36Å; L148-V152 PolarHBondContact O-N 2.98Å; V152-L155 PolarHBondContact O-N 3.49Å; V152-K156 HydrophobicContact CG1-CD 4.17Å; V152-K156 WeakPolarHBondContact O-CB 3.07Å; V152-K156 VanDerWaalsContact O-CG 3.29Å; V152-K156 WeakPolarHBondContact O-CG 3.37Å; V152-K156 PolarHBondContact O-N 3.28Å |
| 153 | M | 97.2 | Very high | 95.5 | Very high | 124 Ų | 124 | 99.2 Ų | 99.2 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -46.9 | 177 | -175.5 | 179.4 | -70.4 | 0 | 0 | 111.6 | R149 K150 E151 L155 K156 I157 | R149-M153 PolarHBondContact O-N 2.85Å; K150-M153 PolarHBondContact O-N 3.02Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 3.44Å; M153-L155 PolarHBondContact O-N 3.37Å; M153-K156 PolarHBondContact O-N 3.44Å; M153-I157 HydrophobicContact CG-CD1 4.05Å; M153-I157 WeakPolarHBondContact O-CG1 3.38Å; M153-I157 PolarHBondContact O-N 3.32Å |
| 154 | A | 95.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 95.9 Ų | 95.9 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K150 E151 K156 I157 M158 | K150-A154 PolarHBondContact O-N 3.36Å; E151-A154 PolarHBondContact O-N 2.76Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 2.95Å; A154-I157 PolarHBondContact O-N 3.09Å; A154-M158 WeakPolarHBondContact O-CG 3.43Å; A154-M158 PolarHBondContact O-N 3.06Å |
| 155 | L | 95.5 | Very high | 94.4 | Very high | 104 Ų | 104 | 97.1 Ų | 97.1 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 176.6 | -72.5 | 166.8 | 0 | 0 | 0 | 112.2 | E151 V152 M153 M158 K159 | E151-L155 WeakPolarHBondContact O-CB 3.39Å; E151-L155 VanDerWaalsContact O-CG 3.3Å; E151-L155 WeakPolarHBondContact O-CG 3.3Å; E151-L155 PolarHBondContact O-N 3.42Å; V152-L155 PolarHBondContact O-N 3.49Å; M153-L155 PolarHBondContact O-N 3.37Å; L155-M158 HydrophobicContact CD2-CE 3.73Å; L155-M158 HydrophobicContact CG-CE 4.23Å; L155-M158 PolarHBondContact O-N 3.12Å; L155-K159 WeakPolarHBondContact O-CB 3.43Å; L155-K159 PolarHBondContact O-N 2.91Å |
| 156 | K | 94.9 | Very high | 93.8 | Very high | 139 Ų | 139 | 102.9 Ų | 102.9 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 175.2 | -75.8 | 175 | 178.8 | -178.2 | 0 | 112.1 | V152 M153 A154 T160 | V152-K156 HydrophobicContact CG1-CD 4.17Å; V152-K156 WeakPolarHBondContact O-CB 3.07Å; V152-K156 VanDerWaalsContact O-CG 3.29Å; V152-K156 WeakPolarHBondContact O-CG 3.37Å; V152-K156 PolarHBondContact O-N 3.28Å; M153-K156 PolarHBondContact O-N 3.44Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 2.95Å; K156-T160 WeakPolarHBondContact O-CB 3.48Å; K156-T160 PolarHBondContact O-N 3.25Å; K156-T160 PolarHBondContact O-OG1 2.84Å |
| 157 | I | 94.4 | Very high | 93.2 | Very high | 90 Ų | 90 | 105.4 Ų | 105.4 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -50.1 | 176.5 | -67.9 | 166.1 | 0 | 0 | 0 | 109.9 | M153 A154 K159 T160 L161 | M153-I157 HydrophobicContact CG-CD1 4.05Å; M153-I157 WeakPolarHBondContact O-CG1 3.38Å; M153-I157 PolarHBondContact O-N 3.32Å; A154-I157 PolarHBondContact O-N 3.09Å; I157-K159 VanDerWaalsContact C-N 3.33Å; I157-K159 PolarHBondContact O-N 2.85Å; I157-T160 PolarHBondContact O-N 3.02Å; I157-T160 VanDerWaalsContact O-N 3.13Å; I157-L161 HydrophobicContact CG2-CD1 3.58Å; I157-L161 HydrophobicContact CG2-CG 4.03Å; I157-L161 WeakPolarHBondContact O-CB 3.42Å; I157-L161 WeakPolarHBondContact O-CG 3.5Å; I157-L161 PolarHBondContact O-N 2.81Å |
| 158 | M | 92.9 | Very high | 92.7 | Very high | 115 Ų | 115 | 108.5 Ų | 108.5 | 57% | 0.567 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.7 | -43.1 | 179.7 | -73.6 | -171.7 | -68.6 | 0 | 0 | 112.2 | A154 L155 T160 G162 | A154-M158 WeakPolarHBondContact O-CG 3.43Å; A154-M158 PolarHBondContact O-N 3.06Å; L155-M158 HydrophobicContact CD2-CE 3.73Å; L155-M158 HydrophobicContact CG-CE 4.23Å; L155-M158 PolarHBondContact O-N 3.12Å; M158-T160 PolarHBondContact O-N 2.99Å; M158-G162 PolarHBondContact O-N 3.14Å |
| 159 | K | 92.8 | Very high | 92.2 | Very high | 167 Ų | 167 | 111 Ų | 111 | 73% | 0.726 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.3 | -45.9 | 175.5 | -177.7 | 178 | 178.8 | 178 | 0 | 111.7 | L155 I157 S163 | L155-K159 WeakPolarHBondContact O-CB 3.43Å; L155-K159 PolarHBondContact O-N 2.91Å; I157-K159 VanDerWaalsContact C-N 3.33Å; I157-K159 PolarHBondContact O-N 2.85Å; K159-S163 PolarHBondContact O-N 3.49Å; K159-S163 PolarHBondContact O-OG 3.45Å |
| 160 | T | 93.2 | Very high | 91.8 | Very high | 92 Ų | 92 | 109.9 Ų | 109.9 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.2 | -51 | -177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | K156 I157 M158 G162 S163 G164 | K156-T160 WeakPolarHBondContact O-CB 3.48Å; K156-T160 PolarHBondContact O-N 3.25Å; K156-T160 PolarHBondContact O-OG1 2.84Å; I157-T160 PolarHBondContact O-N 3.02Å; I157-T160 VanDerWaalsContact O-N 3.13Å; M158-T160 PolarHBondContact O-N 2.99Å; T160-G162 PolarHBondContact O-N 3.34Å; T160-S163 PolarHBondContact O-N 3.39Å; T160-S163 PolarHBondContact O-OG 3.37Å; T160-G164 PolarHBondContact O-N 3.5Å |
| 161 | L | 92.4 | Very high | 91.3 | Very high | 109 Ų | 109 | 109.3 Ų | 109.3 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.2 | -43.9 | 177.8 | -66 | 179.6 | 0 | 0 | 0 | 111.4 | I157 S163 G164 L165 | I157-L161 HydrophobicContact CG2-CD1 3.58Å; I157-L161 HydrophobicContact CG2-CG 4.03Å; I157-L161 WeakPolarHBondContact O-CB 3.42Å; I157-L161 WeakPolarHBondContact O-CG 3.5Å; I157-L161 PolarHBondContact O-N 2.81Å; L161-S163 PolarHBondContact O-N 3.45Å; L161-G164 PolarHBondContact O-N 3.06Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.98Å |
| 162 | G | 88.9 | Confident | 90.7 | Very high | 27 Ų | 27 | 111.7 Ų | 111.7 | 28% | 0.278 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.8 | -51.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M158 T160 G164 L165 Y166 | M158-G162 PolarHBondContact O-N 3.14Å; T160-G162 PolarHBondContact O-N 3.34Å; G162-G164 VanDerWaalsContact C-N 3.34Å; G162-G164 PolarHBondContact O-N 3.5Å; G162-L165 PolarHBondContact O-N 3.29Å; G162-Y166 WeakPolarHBondContact O-CD2 3.36Å; G162-Y166 PolarHBondContact O-N 2.98Å |
| 163 | S | 88.2 | Confident | 89.6 | Confident | 74 Ų | 74 | 118.7 Ų | 118.7 | 52% | 0.517 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.7 | -39.5 | 177.9 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | K159 T160 L161 Y166 L167 | K159-S163 PolarHBondContact O-N 3.49Å; K159-S163 PolarHBondContact O-OG 3.45Å; T160-S163 PolarHBondContact O-N 3.39Å; T160-S163 PolarHBondContact O-OG 3.37Å; L161-S163 PolarHBondContact O-N 3.45Å; S163-Y166 PolarHBondContact O-N 3.31Å; S163-L167 PolarHBondContact O-N 2.97Å |
| 164 | G | 84.3 | Confident | 89.3 | Confident | 40 Ų | 40 | 118.5 Ų | 118.5 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.5 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T160 L161 G162 L167 F168 | T160-G164 PolarHBondContact O-N 3.5Å; L161-G164 PolarHBondContact O-N 3.06Å; G162-G164 VanDerWaalsContact C-N 3.34Å; G162-G164 PolarHBondContact O-N 3.5Å; G164-L167 PolarHBondContact O-N 3.44Å; G164-F168 WeakPolarHBondContact O-CB 3.36Å; G164-F168 PolarHBondContact O-N 3.06Å |
| 165 | L | 87.7 | Confident | 88.9 | Confident | 123 Ų | 123 | 122.4 Ų | 122.4 | 64% | 0.644 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.6 | -39.8 | 176.3 | -69.1 | 172.5 | 0 | 0 | 0 | 112 | L161 G162 F168 Y169 | L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.98Å; G162-L165 PolarHBondContact O-N 3.29Å; L165-F168 PolarHBondContact O-N 2.97Å; L165-Y169 WeakPolarHBondContact O-CB 3.4Å; L165-Y169 PolarHBondContact O-N 2.95Å |
| 166 | Y | 87.3 | Confident | 88.6 | Confident | 187 Ų | 187 | 123.4 Ų | 123.4 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.1 | -43.3 | 173.6 | -92.6 | -86.1 | 0 | 0 | 0 | 112 | G162 S163 Y169 F170 | G162-Y166 WeakPolarHBondContact O-CD2 3.36Å; G162-Y166 PolarHBondContact O-N 2.98Å; S163-Y166 PolarHBondContact O-N 3.31Å; Y166-Y169 PolarHBondContact O-N 3.1Å; Y166-F170 WeakPolarHBondContact O-CB 3.32Å; Y166-F170 PolarHBondContact O-N 3.49Å |
| 167 | L | 84.8 | Confident | 88.2 | Confident | 106 Ų | 106 | 122.5 Ų | 122.5 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.6 | -44.1 | 177.9 | -169.2 | 63.8 | 0 | 0 | 0 | 111.2 | S163 G164 Y169 F170 L171 | S163-L167 PolarHBondContact O-N 2.97Å; G164-L167 PolarHBondContact O-N 3.44Å; L167-Y169 PolarHBondContact O-N 3.23Å; L167-F170 PolarHBondContact O-N 3.31Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CG-CD1 3.75Å; L167-L171 WeakPolarHBondContact O-CD1 3.25Å; L167-L171 PolarHBondContact O-N 3.44Å |
| 168 | F | 86.4 | Confident | 87.8 | Confident | 138 Ų | 138 | 124.5 Ų | 124.5 | 61% | 0.605 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.7 | -45.6 | 176.6 | -175 | -96.2 | 0 | 0 | 0 | 112.1 | G164 L165 F170 L171 Q172 | G164-F168 WeakPolarHBondContact O-CB 3.36Å; G164-F168 PolarHBondContact O-N 3.06Å; L165-F168 PolarHBondContact O-N 2.97Å; F168-F170 VanDerWaalsContact C-N 3.29Å; F168-F170 PolarHBondContact O-N 3.43Å; F168-L171 PolarHBondContact O-N 3.24Å; F168-Q172 PolarHBondContact O-N 3.5Å |
| 169 | Y | 88.2 | Confident | 87.5 | Confident | 152 Ų | 152 | 125.1 Ų | 125.1 | 60% | 0.596 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.7 | -38.7 | 175.5 | -176.7 | -92.9 | 0 | 0 | 0 | 112.1 | L165 Y166 L167 Q172 | L165-Y169 WeakPolarHBondContact O-CB 3.4Å; L165-Y169 PolarHBondContact O-N 2.95Å; Y166-Y169 PolarHBondContact O-N 3.1Å; L167-Y169 PolarHBondContact O-N 3.23Å; Y169-Q172 PolarHBondContact O-N 3.13Å |
| 170 | F | 89.5 | Confident | 87.1 | Confident | 157 Ų | 157 | 122.1 Ų | 122.1 | 69% | 0.689 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69 | -39.3 | 177.6 | -173.1 | -95.4 | 0 | 0 | 0 | 113 | Y166 L167 F168 Q172 K173 | Y166-F170 WeakPolarHBondContact O-CB 3.32Å; Y166-F170 PolarHBondContact O-N 3.49Å; L167-F170 PolarHBondContact O-N 3.31Å; F168-F170 VanDerWaalsContact C-N 3.29Å; F168-F170 PolarHBondContact O-N 3.43Å; F170-Q172 PolarHBondContact O-N 3.29Å; F170-K173 PolarHBondContact O-N 3.16Å |
| 171 | L | 87.4 | Confident | 86.6 | Confident | 130 Ų | 130 | 124.5 Ų | 124.5 | 68% | 0.681 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.5 | -22.5 | 176.7 | -90.9 | 88.1 | 0 | 0 | 0 | 113.4 | L167 F168 K173 | L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CG-CD1 3.75Å; L167-L171 WeakPolarHBondContact O-CD1 3.25Å; L167-L171 PolarHBondContact O-N 3.44Å; F168-L171 PolarHBondContact O-N 3.24Å; L171-K173 VanDerWaalsContact C-N 3.33Å |
| 172 | Q | 84.2 | Confident | 86.1 | Confident | 155 Ų | 155 | 125.8 Ų | 125.8 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -0.6 | -176.6 | -131.3 | -165.9 | -2.2 | 0 | 0 | 114.2 | F168 Y169 F170 | F168-Q172 PolarHBondContact O-N 3.5Å; Y169-Q172 PolarHBondContact O-N 3.13Å; F170-Q172 PolarHBondContact O-N 3.29Å |
| 173 | K | 76.7 | Confident | 85.9 | Confident | 220 Ų | 220 | 134.7 Ų | 134.7 | 96% | 0.957 | 65% | 0.647 | S | S | * | * | trans | -120.9 | 0 | -173.7 | -150.1 | -174.8 | -172 | 176.9 | 0 | 111.2 | F170 L171 | F170-K173 PolarHBondContact O-N 3.16Å; L171-K173 VanDerWaalsContact C-N 3.33Å |
Retrieved 173 of 173 residues in 100.9 ms
(Link to these results)