| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.8 | Very low | 48.9 | Very low | 234 Ų | 234 | 161.2 Ų | 161.2 | 100% | 1.153 | 85% | 0.848 | S | S | * | * | 0 | 112.2 | 0 | -72.9 | 174.2 | -178.8 | 0 | 0 | 107.8 | |||||
| 2 | M | 43.5 | Very low | 49.4 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -145.2 | 108.6 | 153.5 | -88.9 | 119.8 | 171.9 | 0 | 0 | 105.5 | ||||
| 3 | L | 50.9 | Low | 50 | Low | 161 Ų | 161 | 155.6 Ų | 155.6 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -77.7 | 125.7 | 172.9 | -65.3 | 163.8 | 0 | 0 | 0 | 106.9 | ||||
| 4 | N | 44.5 | Very low | 50 | Low | 164 Ų | 164 | 151.4 Ų | 151.4 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -108.5 | 103.2 | 159.4 | -72.8 | -14.1 | 0 | 0 | 0 | 106.8 | ||||
| 5 | S | 51.6 | Low | 49.9 | Very low | 93 Ų | 93 | 152.1 Ų | 152.1 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | trans | -79 | 163.2 | 162.7 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | D | 48.8 | Very low | 49.6 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | 79 | 116.2 | 171.9 | -52.9 | -62.7 | 0 | 0 | 0 | 113.9 | ||||
| 7 | T | 52.7 | Low | 49.2 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | -164.4 | 134.1 | 60.1 | -48.3 | 0 | 0 | 0 | 0 | 108.8 | E9 | T7-E9 PolarHBondContact O-N 2.97Š| |||
| 8 | M | 52.1 | Low | 48.8 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -78.2 | 100.5 | 171.6 | -60.8 | -179.5 | -174.8 | 0 | 0 | 108.8 | ||||
| 9 | E | 50.4 | Low | 48.8 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -89.6 | 106.2 | 168.8 | -91 | -73 | 141.5 | 0 | 0 | 109.1 | T7 D11 | T7-E9 PolarHBondContact O-N 2.97Å; E9-D11 PolarHBondContact O-N 3.13Å | ||
| 10 | L | 51.7 | Low | 48.8 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -76.9 | 95.5 | 169.6 | -88.7 | 145.5 | 0 | 0 | 0 | 108.7 | L12 | L10-L12 PolarHBondContact O-N 3.01Š| ||
| 11 | D | 41.8 | Very low | 48.7 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -84.4 | 96.5 | 169.7 | -157.4 | 19.1 | 0 | 0 | 0 | 109.2 | E9 | E9-D11 PolarHBondContact O-N 3.13Š| ||
| 12 | L | 54.7 | Low | 48.3 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 121.5 | 175 | -145.3 | 80.4 | 0 | 0 | 0 | 108.3 | L10 | L10-L12 PolarHBondContact O-N 3.01Š|
| 13 | P | 57.6 | Low | 48.1 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 150.6 | 177.7 | 27.6 | -32.7 | 0 | 0 | 0 | 112 | ||
| 14 | P | 50.7 | Low | 47.9 | Very low | 97 Ų | 97 | 142 Ų | 142 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 142.1 | -172.3 | 28.5 | -33.3 | 0 | 0 | 0 | 112.6 | H16 | P14-H16 PolarHBondContact O-CD2 3.48Å; P14-H16 PolarHBondContact O-N 3.49Å |
| 15 | N | 47.7 | Very low | 47.8 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -62.2 | 108.8 | 173 | -159.3 | 7.3 | 0 | 0 | 0 | 109.8 | ||||
| 16 | H | 44.7 | Very low | 47.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -104.5 | 108.4 | 169.7 | -75.1 | -75 | 0 | 0 | 0 | 109.3 | P14 | P14-H16 PolarHBondContact O-CD2 3.48Å; P14-H16 PolarHBondContact O-N 3.49Å | ||
| 17 | S | 43.3 | Very low | 47.1 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -45.4 | 128.8 | 169.6 | 32.4 | 0 | 0 | 0 | 0 | 112.7 | T19 | S17-T19 PolarHBondContact O-N 3.49Š| ||
| 18 | E | 42 | Very low | 46.5 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -57.8 | 119.9 | 167 | -61 | -177.6 | 118.3 | 0 | 0 | 109.4 | ||||
| 19 | T | 49.1 | Very low | 45.6 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -119.3 | 95.2 | 158.6 | 40.9 | 0 | 0 | 0 | 0 | 107 | S17 S21 | S17-T19 PolarHBondContact O-N 3.49Å; T19-S21 PolarHBondContact O-N 3.37Å; T19-S21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | E | 49.4 | Very low | 45.2 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -54 | 114.9 | 160.7 | -60 | -153.8 | 118.9 | 0 | 0 | 108.1 | ||||
| 21 | S | 46.3 | Very low | 44.4 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -129.7 | 120.1 | 165.9 | 54.1 | 0 | 0 | 0 | 0 | 107.7 | T19 | T19-S21 PolarHBondContact O-N 3.37Å; T19-S21 VanDerWaalsContact O-N 3.14Å | ||
| 22 | G | 40 | Very low | 44.9 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -60.8 | 149.4 | -158.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S24 | G22-S24 PolarHBondContact O-N 3.23Š| ||
| 23 | F | 40.8 | Very low | 44.1 | Very low | 222 Ų | 222 | 125.1 Ų | 125.1 | 97% | 0.974 | 80% | 0.8 | S | S | * | * | trans | -56.3 | 87.9 | 157.8 | -96.9 | -98.8 | 0 | 0 | 0 | 109.2 | D25 | F23-D25 PolarHBondContact O-N 2.98Å; F23-D25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | S | 45.2 | Very low | 43.1 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -75.2 | 100.3 | 165.9 | -87.3 | 0 | 0 | 0 | 0 | 109 | G22 C26 | G22-S24 PolarHBondContact O-N 3.23Å; S24-C26 PolarHBondContact O-N 3.47Å | ||
| 25 | D | 43.2 | Very low | 42.4 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -46.3 | 112.5 | 157.6 | 179.1 | 43.8 | 0 | 0 | 0 | 110.2 | F23 G27 | F23-D25 PolarHBondContact O-N 2.98Å; F23-D25 VanDerWaalsContact O-N 3.13Å; D25-G27 VanDerWaalsContact C-N 3.33Å; D25-G27 PolarHBondContact O-N 3.23Å | ||
| 26 | C | 45.7 | Very low | 41.8 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -97.6 | 71 | 165 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | S24 | S24-C26 PolarHBondContact O-N 3.47Š| ||
| 27 | G | 41.2 | Very low | 41.9 | Very low | 55 Ų | 55 | 119 Ų | 119 | 57% | 0.567 | 82% | 0.819 | S | S | * | * | trans | -59.9 | 139.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D25 | D25-G27 VanDerWaalsContact C-N 3.33Å; D25-G27 PolarHBondContact O-N 3.23Å | ||
| 28 | G | 38.6 | Very low | 41.5 | Very low | 86 Ų | 86 | 118 Ų | 118 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -76.8 | 173 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 29 | G | 34.4 | Very low | 41.1 | Very low | 84 Ų | 84 | 112.7 Ų | 112.7 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | 169.8 | 113.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 30 | A | 41.1 | Very low | 41 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | -83.1 | 145.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 31 | G | 34.6 | Very low | 40.2 | Very low | 72 Ų | 72 | 107.8 Ų | 107.8 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 173.5 | 114.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 32 | P | 53.7 | Low | 39.8 | Very low | 115 Ų | 115 | 106.5 Ų | 106.5 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | trans | -88.6 | 151.6 | 167.3 | 36 | -28.2 | 0 | 0 | 0 | 109.8 | ||||
| 33 | D | 37.5 | Very low | 39.7 | Very low | 174 Ų | 174 | 106.3 Ų | 106.3 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | 167.1 | 138.6 | 143.6 | -80.9 | -26.7 | 0 | 0 | 0 | 110.7 | ||||
| 34 | G | 35.9 | Very low | 39.6 | Very low | 78 Ų | 78 | 105.2 Ų | 105.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 133.2 | 70.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 35 | A | 36 | Very low | 39.5 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | 36.3 | 115.3 | 136 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 36 | G | 34.7 | Very low | 39.3 | Very low | 75 Ų | 75 | 109.5 Ų | 109.5 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | 64.1 | 163.7 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 37 | P | 47.2 | Very low | 39.2 | Very low | 136 Ų | 136 | 105.9 Ų | 105.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | cis | -138.2 | 166.1 | 15.2 | 39.2 | -19.8 | 0 | 0 | 0 | 117.5 | ||||
| 38 | G | 35.1 | Very low | 39.4 | Very low | 80 Ų | 80 | 109.7 Ų | 109.7 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | 99.2 | 91.8 | 128.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 39 | G | 33.8 | Very low | 39.9 | Very low | 77 Ų | 77 | 113.8 Ų | 113.8 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 74.4 | 171.6 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 40 | P | 46.9 | Very low | 40.6 | Very low | 137 Ų | 137 | 115.4 Ų | 115.4 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | -127.7 | 165.5 | -65.8 | 38.4 | -26.5 | 0 | 0 | 0 | 113.9 | |||||
| 41 | G | 33.4 | Very low | 40.8 | Very low | 80 Ų | 80 | 113.3 Ų | 113.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 118.7 | 140.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 42 | G | 36.5 | Very low | 41.5 | Very low | 83 Ų | 83 | 117.8 Ų | 117.8 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | 106.3 | 107 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 43 | G | 37.7 | Very low | 41.4 | Very low | 66 Ų | 66 | 118.3 Ų | 118.3 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | -90.7 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 44 | Q | 39.5 | Very low | 42.2 | Very low | 200 Ų | 200 | 112 Ų | 112 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | 72.9 | 130.8 | 168.6 | -66 | 153.4 | 87.8 | 0 | 0 | 114.9 | ||||
| 45 | A | 42.2 | Very low | 43.1 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -149.2 | 146.3 | 16.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G47 | A45-G47 PolarHBondContact O-N 3.08Š| ||
| 46 | R | 39.3 | Very low | 43.7 | Very low | 257 Ų | 257 | 122.7 Ų | 122.7 | 97% | 0.97 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 110 | 176.8 | -79.3 | 179.9 | 166.6 | -161.3 | -3.2 | 110.4 | ||||
| 47 | G | 44.1 | Very low | 44.6 | Very low | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 78% | 0.784 | S | S | . | * | trans | -89.2 | 153.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A45 E49 | A45-G47 PolarHBondContact O-N 3.08Å; G47-E49 PolarHBondContact O-N 3.46Å | ||
| 48 | P | 45 | Very low | 44.9 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -78.6 | 101.5 | 175.5 | 31.2 | -28.3 | 0 | 0 | 0 | 109.2 | ||||
| 49 | E | 49.2 | Very low | 46 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134.3 | 170.5 | -72.1 | -73.2 | 127.8 | 0 | 0 | 110.2 | G47 G51 | G47-E49 PolarHBondContact O-N 3.46Å; E49-G51 PolarHBondContact O-N 2.97Å; E49-G51 VanDerWaalsContact O-N 3.15Å |
| 50 | P | 48.6 | Very low | 47.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.1 | 175.7 | 26 | -30.4 | 0 | 0 | 0 | 109 | E52 | P50-E52 PolarHBondContact O-N 3.19Å; P50-E52 VanDerWaalsContact O-N 3.14Å |
| 51 | G | 45.5 | Very low | 49 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E49 P53 | E49-G51 PolarHBondContact O-N 2.97Å; E49-G51 VanDerWaalsContact O-N 3.15Å; G51-P53 WeakPolarHBondContact O-CD 3.29Å |
| 52 | E | 49.6 | Very low | 51.5 | Low | 166 Ų | 166 | 128.1 Ų | 128.1 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | -58.7 | 112.4 | 163.4 | -70.9 | -162.2 | 138.9 | 0 | 0 | 108.9 | P50 | P50-E52 PolarHBondContact O-N 3.19Å; P50-E52 VanDerWaalsContact O-N 3.14Å | ||
| 53 | P | 52.2 | Low | 54 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -81.7 | 132.7 | 170 | 33 | -25.2 | 0 | 0 | 0 | 107.6 | G51 | G51-P53 WeakPolarHBondContact O-CD 3.29Š| ||
| 54 | G | 54 | Low | 56.5 | Low | 42 Ų | 42 | 135.1 Ų | 135.1 | 43% | 0.433 | 71% | 0.708 | S | S | . | * | trans | 121.5 | 17.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 55 | R | 55.4 | Low | 58.9 | Low | 217 Ų | 217 | 129.6 Ų | 129.6 | 82% | 0.819 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -81.4 | -24.2 | 163.5 | -72.8 | -173.8 | 166.8 | -150.5 | -3 | 113.4 | ||
| 56 | K | 47.2 | Very low | 61.2 | Low | 188 Ų | 188 | 131.4 Ų | 131.4 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -93.5 | -19.4 | -171.4 | -64.2 | -177.4 | -179.7 | 178.7 | 0 | 115.1 | M58 | K56-M58 VanDerWaalsContact C-N 3.29Å; K56-M58 PolarHBondContact O-N 3.48Å |
| 57 | D | 53.7 | Low | 63.6 | Low | 116 Ų | 116 | 124.5 Ų | 124.5 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -83.8 | -1.1 | -176.4 | -53.7 | -36.8 | 0 | 0 | 0 | 114.3 | Q59 | D57-Q59 VanDerWaalsContact C-N 3.31Å; D57-Q59 PolarHBondContact O-N 3.45Å |
| 58 | M | 53.9 | Low | 65.9 | Low | 106 Ų | 106 | 130.5 Ų | 130.5 | 52% | 0.522 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -79.1 | -9.9 | -174.9 | -82.8 | -79.9 | -80.6 | 0 | 0 | 114.2 | K56 L61 R69 | K56-M58 VanDerWaalsContact C-N 3.29Å; K56-M58 PolarHBondContact O-N 3.48Å; M58-L61 HydrophobicContact SD-CD1 3.85Å; M58-R69 PolarHBondContact SD-NH1 3.1Å |
| 59 | Q | 59.3 | Low | 68.2 | Low | 177 Ų | 177 | 129.6 Ų | 129.6 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -87.6 | -12.8 | -171.4 | -63.5 | -172.4 | 6.5 | 0 | 0 | 114.2 | D57 | D57-Q59 VanDerWaalsContact C-N 3.31Å; D57-Q59 PolarHBondContact O-N 3.45Å |
| 60 | H | 67.1 | Low | 70.2 | Confident | 185 Ų | 185 | 129.8 Ų | 129.8 | 86% | 0.856 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -121.4 | 21.9 | -175.6 | -121.6 | -88.7 | 0 | 0 | 0 | 114.9 | S62 | H60-S62 PolarHBondContact O-N 3.28Š|
| 61 | L | 75.4 | Confident | 72.4 | Confident | 35 Ų | 35 | 130.3 Ų | 130.3 | 18% | 0.183 | 61% | 0.608 | C | S | . | * | trans | -78.3 | 125.6 | 178.1 | -54.4 | -178.8 | 0 | 0 | 0 | 110.1 | M58 E65 R69 | M58-L61 HydrophobicContact SD-CD1 3.85Å; L61-E65 HydrophobicContact CB-CB 4.02Å; L61-E65 HydrophobicContact CB-CG 4.08Å; L61-E65 HydrophobicContact CD1-CG 4.47Å; L61-E65 HydrophobicContact CD2-CG 3.97Å; L61-E65 HydrophobicContact CG-CG 4.38Å; L61-R69 VanDerWaalsContact CD1-NH1 3.35Å | ||
| 62 | S | 87 | Confident | 74.7 | Confident | 80 Ų | 80 | 130 Ų | 130 | 56% | 0.559 | 60% | 0.598 | S | S | * | * | trans | -50.9 | 151.2 | 169.3 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | H60 E64 E65 R66 | H60-S62 PolarHBondContact O-N 3.28Å; S62-E64 PolarHBondContact O-N 3.39Å; S62-E65 WeakPolarHBondContact O-CB 3.26Å; S62-E65 PolarHBondContact O-N 2.96Å; S62-R66 PolarHBondContact O-N 2.91Å | ||
| 63 | R | 87.9 | Confident | 76.9 | Confident | 190 Ų | 190 | 125.2 Ų | 125.2 | 72% | 0.717 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -50 | -35.5 | 176.2 | -173.9 | -179.9 | -177 | -167.2 | 2.2 | 111.7 | R67 | R63-R67 WeakPolarHBondContact O-CG 3.35Å; R63-R67 PolarHBondContact O-N 2.82Å |
| 64 | E | 89.9 | Confident | 79 | Confident | 106 Ų | 106 | 122 Ų | 122 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71 | -42.7 | 178.7 | -170.3 | 53.5 | -148.7 | 0 | 0 | 112.6 | S62 R66 R67 R68 | S62-E64 PolarHBondContact O-N 3.39Å; E64-R66 VanDerWaalsContact C-N 3.29Å; E64-R66 PolarHBondContact O-N 3.36Å; E64-R67 WeakPolarHBondContact O-CB 3.32Å; E64-R67 PolarHBondContact O-N 3.03Å; E64-R67 VanDerWaalsContact O-N 3.09Å; E64-R68 PolarHBondContact O-N 3.44Å |
| 65 | E | 90.4 | Very high | 81 | Confident | 84 Ų | 84 | 128.6 Ų | 128.6 | 39% | 0.393 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.9 | -41.1 | 176.1 | -163.1 | 81.4 | -132.7 | 0 | 0 | 111.2 | L61 S62 R67 R68 R69 | L61-E65 HydrophobicContact CB-CB 4.02Å; L61-E65 HydrophobicContact CB-CG 4.08Å; L61-E65 HydrophobicContact CD1-CG 4.47Å; L61-E65 HydrophobicContact CD2-CG 3.97Å; L61-E65 HydrophobicContact CG-CG 4.38Å; S62-E65 WeakPolarHBondContact O-CB 3.26Å; S62-E65 PolarHBondContact O-N 2.96Å; E65-R67 PolarHBondContact O-N 3.37Å; E65-R68 PolarHBondContact O-N 2.92Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 3.26Å |
| 66 | R | 89.6 | Confident | 83 | Confident | 138 Ų | 138 | 122.3 Ų | 122.3 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -38.8 | 175.3 | -168.4 | -179 | -69.1 | -175.1 | -1.2 | 112 | S62 E64 R70 | S62-R66 PolarHBondContact O-N 2.91Å; E64-R66 VanDerWaalsContact C-N 3.29Å; E64-R66 PolarHBondContact O-N 3.36Å; R66-R70 WeakPolarHBondContact O-CG 3.27Å; R66-R70 PolarHBondContact O-N 3.28Å; R66-R70 VanDerWaalsContact O-N 3.13Å |
| 67 | R | 90.9 | Very high | 85.4 | Confident | 112 Ų | 112 | 120 Ų | 120 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 174.5 | -75.5 | 174.6 | 170.1 | -164.1 | -4 | 111.1 | R63 E64 E65 R70 R71 | R63-R67 WeakPolarHBondContact O-CG 3.35Å; R63-R67 PolarHBondContact O-N 2.82Å; E64-R67 WeakPolarHBondContact O-CB 3.32Å; E64-R67 PolarHBondContact O-N 3.03Å; E64-R67 VanDerWaalsContact O-N 3.09Å; E65-R67 PolarHBondContact O-N 3.37Å; R67-R70 PolarHBondContact O-N 3.37Å; R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 3.28Å |
| 68 | R | 93.2 | Very high | 87.5 | Confident | 178 Ų | 178 | 118.6 Ų | 118.6 | 67% | 0.672 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.1 | -48.4 | 177.6 | -169.1 | 178.4 | -177.1 | 177.3 | 1.8 | 111.4 | E64 E65 R70 R71 A72 | E64-R68 PolarHBondContact O-N 3.44Å; E65-R68 PolarHBondContact O-N 2.92Å; R68-R70 PolarHBondContact O-N 3.18Å; R68-R71 PolarHBondContact O-N 3.04Å; R68-A72 WeakPolarHBondContact O-CB 3.39Å; R68-A72 PolarHBondContact O-N 3.14Å |
| 69 | R | 91.6 | Very high | 89.6 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.4 | -72.8 | -173.1 | -173.6 | -165.7 | 3.1 | 112.3 | M58 L61 E65 A72 T73 | M58-R69 PolarHBondContact SD-NH1 3.1Å; L61-R69 VanDerWaalsContact CD1-NH1 3.35Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 3.26Å; R69-A72 PolarHBondContact O-N 2.93Å; R69-T73 PolarHBondContact O-N 3.3Å |
| 70 | R | 91.8 | Very high | 91.4 | Very high | 175 Ų | 175 | 111.7 Ų | 111.7 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -46.5 | 175.5 | -75.9 | -177.3 | -178 | -124.6 | 1.4 | 112.1 | R66 R67 R68 A72 T73 Y76 | R66-R70 WeakPolarHBondContact O-CG 3.27Å; R66-R70 PolarHBondContact O-N 3.28Å; R66-R70 VanDerWaalsContact O-N 3.13Å; R67-R70 PolarHBondContact O-N 3.37Å; R68-R70 PolarHBondContact O-N 3.18Å; R70-A72 VanDerWaalsContact C-N 3.26Å; R70-A72 PolarHBondContact O-N 3.2Å; R70-T73 WeakPolarHBondContact O-CB 3.44Å; R70-T73 WeakPolarHBondContact O-CG2 3.34Å; R70-T73 PolarHBondContact O-N 3.14Å; R70-T73 VanDerWaalsContact O-N 3.12Å; R70-T73 PolarHBondContact O-OG1 3.33Å; R70-Y76 VanDerWaalsContact O-CB 3.23Å; R70-Y76 WeakPolarHBondContact O-CB 3.5Å |
| 71 | R | 94.4 | Very high | 92.9 | Very high | 129 Ų | 129 | 105.2 Ų | 105.2 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 178.1 | -68.8 | 177.5 | 178.5 | 168.6 | -0.2 | 113 | R67 R68 T73 Y76 | R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 3.28Å; R68-R71 PolarHBondContact O-N 3.04Å; R71-T73 VanDerWaalsContact C-N 3.26Å; R71-T73 PolarHBondContact O-N 3.29Å; R71-Y76 HydrophobicContact CB-CD1 4.09Å; R71-Y76 HydrophobicContact CB-CE1 4.06Å; R71-Y76 HydrophobicContact CG-CD1 4.15Å; R71-Y76 HydrophobicContact CG-CE1 3.71Å; R71-Y76 HydrophobicContact CG-CE2 4.21Å |
| 72 | A | 93.5 | Very high | 94 | Very high | 63 Ų | 63 | 106.7 Ų | 106.7 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -6.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R68 R69 R70 R77 | R68-A72 WeakPolarHBondContact O-CB 3.39Å; R68-A72 PolarHBondContact O-N 3.14Å; R69-A72 PolarHBondContact O-N 2.93Å; R70-A72 VanDerWaalsContact C-N 3.26Å; R70-A72 PolarHBondContact O-N 3.2Å; A72-R77 VanDerWaalsContact C-NH1 3.33Å; A72-R77 PolarHBondContact O-NH1 3.45Å |
| 73 | T | 96.3 | Very high | 94.5 | Very high | 66 Ų | 66 | 110.2 Ų | 110.2 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -72.1 | 142.6 | 173.5 | 65.7 | 0 | 0 | 0 | 0 | 111 | R69 R70 R71 K75 Y76 R77 | R69-T73 PolarHBondContact O-N 3.3Å; R70-T73 WeakPolarHBondContact O-CB 3.44Å; R70-T73 WeakPolarHBondContact O-CG2 3.34Å; R70-T73 PolarHBondContact O-N 3.14Å; R70-T73 VanDerWaalsContact O-N 3.12Å; R70-T73 PolarHBondContact O-OG1 3.33Å; R71-T73 VanDerWaalsContact C-N 3.26Å; R71-T73 PolarHBondContact O-N 3.29Å; T73-K75 VanDerWaalsContact C-N 3.26Å; T73-K75 PolarHBondContact O-N 3.18Å; T73-Y76 PolarHBondContact O-N 2.85Å; T73-Y76 WeakPolarHBondContact OG1-CB 3.48Å; T73-Y76 PolarHBondContact OG1-N 2.66Å; T73-R77 PolarHBondContact O-N 3.01Å; T73-R77 VanDerWaalsContact O-N 3.16Å |
| 74 | A | 96.4 | Very high | 95 | Very high | 59 Ų | 59 | 104.5 Ų | 104.5 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.1 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y76 R77 T78 | A74-Y76 VanDerWaalsContact C-N 3.34Å; A74-Y76 PolarHBondContact O-N 3.36Å; A74-R77 PolarHBondContact O-N 3.32Å; A74-R77 VanDerWaalsContact O-N 3.16Å; A74-T78 WeakPolarHBondContact O-CG2 3.23Å; A74-T78 PolarHBondContact O-N 3.38Å; A74-T78 PolarHBondContact O-OG1 2.9Å; A74-T78 VanDerWaalsContact O-OG1 3.11Å |
| 75 | K | 96.4 | Very high | 95.4 | Very high | 179 Ų | 179 | 107.2 Ų | 107.2 | 78% | 0.778 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.1 | -44.2 | 176.6 | -65.3 | -173.8 | 178.7 | -175.1 | 0 | 112.8 | T73 T78 A79 | T73-K75 VanDerWaalsContact C-N 3.26Å; T73-K75 PolarHBondContact O-N 3.18Å; K75-T78 PolarHBondContact O-OG1 3.41Å; K75-T78 VanDerWaalsContact O-OG1 3.1Å; K75-A79 VanDerWaalsContact O-CB 3.25Å; K75-A79 WeakPolarHBondContact O-CB 3.45Å; K75-A79 PolarHBondContact O-N 3.4Å; K75-A79 VanDerWaalsContact O-N 3.07Å |
| 76 | Y | 96.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 107.9 Ų | 107.9 | 33% | 0.333 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 177.2 | -177.2 | -83.1 | 0 | 0 | 0 | 111.4 | R70 R71 T73 A74 A79 H80 | R70-Y76 VanDerWaalsContact O-CB 3.23Å; R70-Y76 WeakPolarHBondContact O-CB 3.5Å; R71-Y76 HydrophobicContact CB-CD1 4.09Å; R71-Y76 HydrophobicContact CB-CE1 4.06Å; R71-Y76 HydrophobicContact CG-CD1 4.15Å; R71-Y76 HydrophobicContact CG-CE1 3.71Å; R71-Y76 HydrophobicContact CG-CE2 4.21Å; T73-Y76 PolarHBondContact O-N 2.85Å; T73-Y76 WeakPolarHBondContact OG1-CB 3.48Å; T73-Y76 PolarHBondContact OG1-N 2.66Å; A74-Y76 VanDerWaalsContact C-N 3.34Å; A74-Y76 PolarHBondContact O-N 3.36Å; Y76-A79 PolarHBondContact O-N 3.11Å; Y76-H80 HydrophobicContact CE1-CB 4.4Å; Y76-H80 WeakPolarHBondContact O-CB 3.47Å; Y76-H80 PolarHBondContact O-N 3.25Å |
| 77 | R | 96.9 | Very high | 96.3 | Very high | 140 Ų | 140 | 109 Ų | 109 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | -179.5 | -68.8 | -162.5 | -59.6 | -84.1 | 0.7 | 112 | A72 T73 A74 H80 A81 | A72-R77 VanDerWaalsContact C-NH1 3.33Å; A72-R77 PolarHBondContact O-NH1 3.45Å; T73-R77 PolarHBondContact O-N 3.01Å; T73-R77 VanDerWaalsContact O-N 3.16Å; A74-R77 PolarHBondContact O-N 3.32Å; A74-R77 VanDerWaalsContact O-N 3.16Å; R77-H80 PolarHBondContact O-N 3.32Å; R77-A81 WeakPolarHBondContact O-CB 3.36Å; R77-A81 PolarHBondContact O-N 2.98Å |
| 78 | T | 98.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 106.4 Ų | 106.4 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 178.7 | 55.1 | 0 | 0 | 0 | 0 | 111 | A74 K75 H80 A81 T82 | A74-T78 WeakPolarHBondContact O-CG2 3.23Å; A74-T78 PolarHBondContact O-N 3.38Å; A74-T78 PolarHBondContact O-OG1 2.9Å; A74-T78 VanDerWaalsContact O-OG1 3.11Å; K75-T78 PolarHBondContact O-OG1 3.41Å; K75-T78 VanDerWaalsContact O-OG1 3.1Å; T78-H80 VanDerWaalsContact C-N 3.28Å; T78-H80 PolarHBondContact O-N 3.45Å; T78-A81 PolarHBondContact O-N 2.93Å; T78-T82 PolarHBondContact O-N 3.05Å; T78-T82 PolarHBondContact O-OG1 3.12Å; T78-T82 VanDerWaalsContact O-OG1 3.11Å |
| 79 | A | 97.6 | Very high | 96.9 | Very high | 42 Ų | 42 | 103.2 Ų | 103.2 | 35% | 0.347 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -34.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K75 Y76 R83 | K75-A79 VanDerWaalsContact O-CB 3.25Å; K75-A79 WeakPolarHBondContact O-CB 3.45Å; K75-A79 PolarHBondContact O-N 3.4Å; K75-A79 VanDerWaalsContact O-N 3.07Å; Y76-A79 PolarHBondContact O-N 3.11Å; A79-R83 WeakPolarHBondContact O-CG 3.49Å; A79-R83 PolarHBondContact O-N 3.43Å; A79-R83 PolarHBondContact O-NE 3.05Å; A79-R83 VanDerWaalsContact O-NE 3.14Å |
| 80 | H | 97.7 | Very high | 97.2 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.8 | -44.6 | 174.6 | -170.5 | -73.9 | 0 | 0 | 0 | 111.7 | Y76 R77 T78 T82 R83 E84 | Y76-H80 HydrophobicContact CE1-CB 4.4Å; Y76-H80 WeakPolarHBondContact O-CB 3.47Å; Y76-H80 PolarHBondContact O-N 3.25Å; R77-H80 PolarHBondContact O-N 3.32Å; T78-H80 VanDerWaalsContact C-N 3.28Å; T78-H80 PolarHBondContact O-N 3.45Å; H80-T82 VanDerWaalsContact C-N 3.35Å; H80-T82 PolarHBondContact O-N 2.86Å; H80-R83 PolarHBondContact O-N 3.33Å; H80-E84 PolarHBondContact O-N 2.74Å |
| 81 | A | 98.3 | Very high | 97.6 | Very high | 50 Ų | 50 | 97 Ų | 97 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R77 T78 E84 R85 | R77-A81 WeakPolarHBondContact O-CB 3.36Å; R77-A81 PolarHBondContact O-N 2.98Å; T78-A81 PolarHBondContact O-N 2.93Å; A81-E84 PolarHBondContact O-N 3.49Å; A81-R85 WeakPolarHBondContact O-CB 3.36Å; A81-R85 PolarHBondContact O-N 3.26Å |
| 82 | T | 98.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 94 Ų | 94 | 40% | 0.399 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | T78 H80 E84 R85 I86 | T78-T82 PolarHBondContact O-N 3.05Å; T78-T82 PolarHBondContact O-OG1 3.12Å; T78-T82 VanDerWaalsContact O-OG1 3.11Å; H80-T82 VanDerWaalsContact C-N 3.35Å; H80-T82 PolarHBondContact O-N 2.86Å; T82-E84 VanDerWaalsContact C-N 3.32Å; T82-E84 PolarHBondContact O-N 2.99Å; T82-R85 WeakPolarHBondContact O-CB 3.42Å; T82-R85 PolarHBondContact O-N 3.14Å; T82-I86 HydrophobicContact CG2-CD1 4.03Å; T82-I86 WeakPolarHBondContact O-CG1 3.43Å; T82-I86 PolarHBondContact O-N 3.29Å |
| 83 | R | 98.6 | Very high | 98 | Very high | 155 Ų | 155 | 95.8 Ų | 95.8 | 59% | 0.585 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.6 | -43.6 | 176.9 | -80.1 | -176.8 | -82.7 | -172 | -5.8 | 112.2 | A79 H80 I86 R87 | A79-R83 WeakPolarHBondContact O-CG 3.49Å; A79-R83 PolarHBondContact O-N 3.43Å; A79-R83 PolarHBondContact O-NE 3.05Å; A79-R83 VanDerWaalsContact O-NE 3.14Å; H80-R83 PolarHBondContact O-N 3.33Å; R83-I86 PolarHBondContact O-N 2.94Å; R83-R87 PolarHBondContact O-N 3.25Å |
| 84 | E | 98.6 | Very high | 98.1 | Very high | 69 Ų | 69 | 95.5 Ų | 95.5 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 178.2 | -175.9 | 55.2 | -157.8 | 0 | 0 | 112.1 | H80 A81 T82 I86 R87 V88 | H80-E84 PolarHBondContact O-N 2.74Å; A81-E84 PolarHBondContact O-N 3.49Å; T82-E84 VanDerWaalsContact C-N 3.32Å; T82-E84 PolarHBondContact O-N 2.99Å; E84-I86 PolarHBondContact O-N 3.49Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.19Å; E84-R87 IonicContact OE1-CZ 2.9Å; E84-R87 IonicContact OE1-NE 3.57Å; E84-R87 PolarHBondContact OE1-NE 3.25Å; E84-R87 IonicContact OE1-NH2 2.81Å; E84-R87 PolarHBondContact OE1-NH2 3Å; E84-R87 IonicContact OE2-CZ 3.34Å; E84-R87 IonicContact OE2-NE 3.19Å; E84-R87 PolarHBondContact OE2-NE 3.13Å; E84-R87 IonicContact OE2-NH2 2.67Å; E84-V88 WeakPolarHBondContact O-CG2 3.45Å; E84-V88 PolarHBondContact O-N 3.26Å; E84-V88 WeakPolarHBondContact OE1-CG2 3.21Å |
| 85 | R | 98.7 | Very high | 98.2 | Very high | 163 Ų | 163 | 94 Ų | 94 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.2 | -48.6 | 173.6 | -174.2 | -175.3 | -65.6 | 128.4 | -2.2 | 111.4 | A81 T82 R87 V88 E89 | A81-R85 WeakPolarHBondContact O-CB 3.36Å; A81-R85 PolarHBondContact O-N 3.26Å; T82-R85 WeakPolarHBondContact O-CB 3.42Å; T82-R85 PolarHBondContact O-N 3.14Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R85-R87 PolarHBondContact O-N 2.81Å; R85-V88 PolarHBondContact O-N 3.43Å; R85-E89 WeakPolarHBondContact O-CB 3.32Å; R85-E89 PolarHBondContact O-N 2.94Å |
| 86 | I | 98.7 | Very high | 98.2 | Very high | 99 Ų | 99 | 87.7 Ų | 87.7 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 177.6 | -66.9 | 164.8 | 0 | 0 | 0 | 110.6 | T82 R83 E84 V88 E89 A90 | T82-I86 HydrophobicContact CG2-CD1 4.03Å; T82-I86 WeakPolarHBondContact O-CG1 3.43Å; T82-I86 PolarHBondContact O-N 3.29Å; R83-I86 PolarHBondContact O-N 2.94Å; E84-I86 PolarHBondContact O-N 3.49Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.38Å; I86-E89 PolarHBondContact O-N 3.24Å; I86-A90 WeakPolarHBondContact O-CB 3.37Å; I86-A90 PolarHBondContact O-N 3.42Å |
| 87 | R | 98.7 | Very high | 98.2 | Very high | 162 Ų | 162 | 88.4 Ų | 88.4 | 61% | 0.611 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.3 | -45.1 | 177.6 | -168.6 | -176.4 | 76.8 | 100.1 | 2.2 | 111.9 | R83 E84 R85 F91 | R83-R87 PolarHBondContact O-N 3.25Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.19Å; E84-R87 IonicContact OE1-CZ 2.9Å; E84-R87 IonicContact OE1-NE 3.57Å; E84-R87 PolarHBondContact OE1-NE 3.25Å; E84-R87 IonicContact OE1-NH2 2.81Å; E84-R87 PolarHBondContact OE1-NH2 3Å; E84-R87 IonicContact OE2-CZ 3.34Å; E84-R87 IonicContact OE2-NE 3.19Å; E84-R87 PolarHBondContact OE2-NE 3.13Å; E84-R87 IonicContact OE2-NH2 2.67Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R85-R87 PolarHBondContact O-N 2.81Å; R87-F91 WeakPolarHBondContact O-CB 3.43Å; R87-F91 PolarHBondContact O-N 3.44Å; R87-F91 VanDerWaalsContact O-N 3.08Å |
| 88 | V | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 84.4 Ų | 84.4 | 35% | 0.345 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | E84 R85 I86 F91 N92 | E84-V88 WeakPolarHBondContact O-CG2 3.45Å; E84-V88 PolarHBondContact O-N 3.26Å; E84-V88 WeakPolarHBondContact OE1-CG2 3.21Å; R85-V88 PolarHBondContact O-N 3.43Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.38Å; V88-F91 WeakPolarHBondContact O-CB 3.37Å; V88-F91 PolarHBondContact O-N 2.91Å; V88-N92 WeakPolarHBondContact O-CB 3.38Å; V88-N92 PolarHBondContact O-N 3.02Å; V88-N92 PolarHBondContact O-ND2 3.43Å |
| 89 | E | 98.7 | Very high | 98.2 | Very high | 111 Ų | 111 | 83 Ų | 83 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 174.8 | -175.8 | 175.8 | -177.1 | 0 | 0 | 111.3 | R85 I86 F91 N92 L93 | R85-E89 WeakPolarHBondContact O-CB 3.32Å; R85-E89 PolarHBondContact O-N 2.94Å; I86-E89 PolarHBondContact O-N 3.24Å; E89-F91 VanDerWaalsContact C-N 3.27Å; E89-F91 PolarHBondContact O-N 3.3Å; E89-N92 PolarHBondContact O-N 3.38Å; E89-L93 HydrophobicContact CG-CD1 4.47Å; E89-L93 WeakPolarHBondContact O-CG 3.44Å; E89-L93 PolarHBondContact O-N 3.23Å |
| 90 | A | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 88 Ų | 88 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56.4 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I86 L93 A94 | I86-A90 WeakPolarHBondContact O-CB 3.37Å; I86-A90 PolarHBondContact O-N 3.42Å; A90-L93 PolarHBondContact O-N 3.24Å; A90-A94 PolarHBondContact O-N 3.08Å; A90-A94 VanDerWaalsContact O-N 3.11Å |
| 91 | F | 98.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 89.4 Ų | 89.4 | 45% | 0.447 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.7 | 173.9 | -88.2 | 0 | 0 | 0 | 112.6 | R87 V88 E89 A94 F95 K113 | R87-F91 WeakPolarHBondContact O-CB 3.43Å; R87-F91 PolarHBondContact O-N 3.44Å; R87-F91 VanDerWaalsContact O-N 3.08Å; V88-F91 WeakPolarHBondContact O-CB 3.37Å; V88-F91 PolarHBondContact O-N 2.91Å; E89-F91 VanDerWaalsContact C-N 3.27Å; E89-F91 PolarHBondContact O-N 3.3Å; F91-A94 PolarHBondContact O-N 2.86Å; F91-F95 HydrophobicContact CD1-CD2 4.08Å; F91-F95 HydrophobicContact CD1-CE2 4.43Å; F91-F95 HydrophobicContact CD2-CE2 4.44Å; F91-F95 AromaticContact CE1-CD2 3.52Å; F91-F95 HydrophobicContact CE1-CD2 3.52Å; F91-F95 AromaticContact CE1-CE2 3.53Å; F91-F95 HydrophobicContact CE1-CE2 3.53Å; F91-F95 HydrophobicContact CE1-CG 4.45Å; F91-F95 HydrophobicContact CE1-CZ 4.44Å; F91-F95 HydrophobicContact CE2-CD2 4.04Å; F91-F95 AromaticContact CE2-CE2 3.58Å; F91-F95 HydrophobicContact CE2-CE2 3.58Å; F91-F95 AromaticContact CZ-CD2 3.54Å; F91-F95 HydrophobicContact CZ-CD2 3.54Å; F91-F95 AromaticContact CZ-CE2 3.06Å; F91-F95 HydrophobicContact CZ-CE2 3.06Å; F91-F95 AromaticContact CZ-CZ 3.94Å; F91-F95 HydrophobicContact CZ-CZ 3.94Å; F91-F95 PolarHBondContact O-N 2.89Å; F91-F95 VanDerWaalsContact O-N 3.12Å; F91-K113 HydrophobicContact CE1-CD 4.11Å |
| 92 | N | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 87.6 Ų | 87.6 | 35% | 0.353 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.3 | -35.1 | 179.8 | -69.7 | -28.6 | 0 | 0 | 0 | 111.9 | V88 E89 F95 A96 K113 | V88-N92 WeakPolarHBondContact O-CB 3.38Å; V88-N92 PolarHBondContact O-N 3.02Å; V88-N92 PolarHBondContact O-ND2 3.43Å; E89-N92 PolarHBondContact O-N 3.38Å; N92-F95 WeakPolarHBondContact O-CB 3.47Å; N92-F95 PolarHBondContact O-N 2.75Å; N92-A96 PolarHBondContact O-N 3.01Å; N92-K113 WeakPolarHBondContact OD1-CE 3.48Å; N92-K113 PolarHBondContact OD1-NZ 3.31Å |
| 93 | L | 98.4 | Very high | 97.9 | Very high | 101 Ų | 101 | 87.8 Ų | 87.8 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 172.5 | -71 | 173.4 | 0 | 0 | 0 | 110.9 | E89 A90 F95 A96 E97 | E89-L93 HydrophobicContact CG-CD1 4.47Å; E89-L93 WeakPolarHBondContact O-CG 3.44Å; E89-L93 PolarHBondContact O-N 3.23Å; A90-L93 PolarHBondContact O-N 3.24Å; L93-F95 VanDerWaalsContact C-N 3.28Å; L93-F95 PolarHBondContact O-N 3.42Å; L93-A96 WeakPolarHBondContact O-CB 3.48Å; L93-A96 PolarHBondContact O-N 3.29Å; L93-E97 PolarHBondContact O-N 2.96Å |
| 94 | A | 98.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 82 Ų | 82 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A90 F91 E97 L98 | A90-A94 PolarHBondContact O-N 3.08Å; A90-A94 VanDerWaalsContact O-N 3.11Å; F91-A94 PolarHBondContact O-N 2.86Å; A94-E97 PolarHBondContact O-N 3.17Å; A94-L98 WeakPolarHBondContact O-CB 3.38Å; A94-L98 PolarHBondContact O-N 2.67Å |
| 95 | F | 98.1 | Very high | 97.3 | Very high | 28 Ų | 28 | 86.3 Ų | 86.3 | 12% | 0.123 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 173.7 | -100.4 | -94.2 | 0 | 0 | 0 | 113.1 | F91 N92 L93 R99 K113 I116 L117 | F91-F95 HydrophobicContact CD1-CD2 4.08Å; F91-F95 HydrophobicContact CD1-CE2 4.43Å; F91-F95 HydrophobicContact CD2-CE2 4.44Å; F91-F95 AromaticContact CE1-CD2 3.52Å; F91-F95 HydrophobicContact CE1-CD2 3.52Å; F91-F95 AromaticContact CE1-CE2 3.53Å; F91-F95 HydrophobicContact CE1-CE2 3.53Å; F91-F95 HydrophobicContact CE1-CG 4.45Å; F91-F95 HydrophobicContact CE1-CZ 4.44Å; F91-F95 HydrophobicContact CE2-CD2 4.04Å; F91-F95 AromaticContact CE2-CE2 3.58Å; F91-F95 HydrophobicContact CE2-CE2 3.58Å; F91-F95 AromaticContact CZ-CD2 3.54Å; F91-F95 HydrophobicContact CZ-CD2 3.54Å; F91-F95 AromaticContact CZ-CE2 3.06Å; F91-F95 HydrophobicContact CZ-CE2 3.06Å; F91-F95 AromaticContact CZ-CZ 3.94Å; F91-F95 HydrophobicContact CZ-CZ 3.94Å; F91-F95 PolarHBondContact O-N 2.89Å; F91-F95 VanDerWaalsContact O-N 3.12Å; N92-F95 WeakPolarHBondContact O-CB 3.47Å; N92-F95 PolarHBondContact O-N 2.75Å; L93-F95 VanDerWaalsContact C-N 3.28Å; L93-F95 PolarHBondContact O-N 3.42Å; F95-R99 WeakPolarHBondContact O-CB 3.47Å; F95-R99 PolarHBondContact O-N 2.81Å; F95-K113 HydrophobicContact CD1-CB 4.24Å; F95-K113 HydrophobicContact CD1-CG 3.94Å; F95-K113 HydrophobicContact CE1-CB 3.73Å; F95-K113 HydrophobicContact CE1-CG 3.89Å; F95-K113 HydrophobicContact CZ-CB 4.28Å; F95-K113 HydrophobicContact CZ-CG 4.45Å; F95-I116 HydrophobicContact CD1-CB 4.24Å; F95-I116 HydrophobicContact CD1-CD1 3.9Å; F95-I116 HydrophobicContact CD1-CG2 3.92Å; F95-I116 HydrophobicContact CE1-CB 4.23Å; F95-I116 HydrophobicContact CE1-CG2 4.05Å; F95-L117 HydrophobicContact CE1-CD2 4.24Å; F95-L117 HydrophobicContact CE1-CG 4.13Å; F95-L117 HydrophobicContact CZ-CD1 4.25Å; F95-L117 HydrophobicContact CZ-CD2 3.9Å; F95-L117 HydrophobicContact CZ-CG 4.02Å |
| 96 | A | 97.1 | Very high | 96.9 | Very high | 45 Ų | 45 | 82 Ų | 82 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N92 L93 R99 K100 | N92-A96 PolarHBondContact O-N 3.01Å; L93-A96 WeakPolarHBondContact O-CB 3.48Å; L93-A96 PolarHBondContact O-N 3.29Å; A96-R99 WeakPolarHBondContact O-CB 3.28Å; A96-R99 PolarHBondContact O-N 2.84Å; A96-K100 WeakPolarHBondContact O-CG 3.31Å; A96-K100 PolarHBondContact O-N 2.67Å |
| 97 | E | 97.8 | Very high | 96.3 | Very high | 101 Ų | 101 | 82.6 Ų | 82.6 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.8 | -65.7 | -47.7 | 132.1 | 0 | 0 | 111.8 | L93 A94 R99 K100 | L93-E97 PolarHBondContact O-N 2.96Å; A94-E97 PolarHBondContact O-N 3.17Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 3.16Å; E97-K100 PolarHBondContact O-N 2.66Å; E97-K100 IonicContact OE1-NZ 3.54Å; E97-K100 PolarHBondContact OE1-NZ 3.34Å; E97-K100 IonicContact OE2-NZ 2.66Å; E97-K100 PolarHBondContact OE2-NZ 3.31Å |
| 98 | L | 98 | Very high | 95.8 | Very high | 55 Ų | 55 | 80.7 Ų | 80.7 | 29% | 0.288 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 175.4 | 176.9 | 58 | 0 | 0 | 0 | 111.3 | A94 K100 L101 L102 I116 A120 | A94-L98 WeakPolarHBondContact O-CB 3.38Å; A94-L98 PolarHBondContact O-N 2.67Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.14Å; L98-L101 WeakPolarHBondContact O-CB 3.38Å; L98-L101 PolarHBondContact O-N 3.33Å; L98-L101 VanDerWaalsContact O-N 3.14Å; L98-L102 WeakPolarHBondContact O-CG 3.25Å; L98-I116 HydrophobicContact CB-CG2 4.43Å; L98-I116 HydrophobicContact CD2-CG2 3.58Å; L98-I116 HydrophobicContact CG-CG2 3.82Å; L98-A120 HydrophobicContact CD1-CB 4.17Å; L98-A120 HydrophobicContact CD2-CB 4.35Å |
| 99 | R | 97.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 82.9 Ų | 82.9 | 22% | 0.219 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.5 | -39.3 | -180 | -173.4 | -153.7 | 175.5 | 86.6 | 12.5 | 112.8 | F95 A96 E97 L101 L102 D108 K109 K110 L111 I116 | F95-R99 WeakPolarHBondContact O-CB 3.47Å; F95-R99 PolarHBondContact O-N 2.81Å; A96-R99 WeakPolarHBondContact O-CB 3.28Å; A96-R99 PolarHBondContact O-N 2.84Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 3.16Å; R99-L101 PolarHBondContact O-N 2.91Å; R99-L102 PolarHBondContact O-N 3.3Å; R99-D108 PolarHBondContact NH2-O 3.42Å; R99-K109 PolarHBondContact NH2-O 3.31Å; R99-K110 VanDerWaalsContact NH2-CA 3.34Å; R99-L111 HydrophobicContact CG-CD1 4.43Å; R99-L111 PolarHBondContact NH1-O 3.47Å; R99-L111 VanDerWaalsContact NH1-O 3.16Å; R99-L111 VanDerWaalsContact NH2-N 3.14Å; R99-I116 HydrophobicContact CB-CD1 4.16Å; R99-I116 HydrophobicContact CG-CD1 4.32Å |
| 100 | K | 95.7 | Very high | 95.3 | Very high | 145 Ų | 145 | 87 Ų | 87 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.5 | -25.2 | -179.7 | -66.6 | 172.1 | -169.6 | 169.1 | 0 | 112.8 | A96 E97 L98 | A96-K100 WeakPolarHBondContact O-CG 3.31Å; A96-K100 PolarHBondContact O-N 2.67Å; E97-K100 PolarHBondContact O-N 2.66Å; E97-K100 IonicContact OE1-NZ 3.54Å; E97-K100 PolarHBondContact OE1-NZ 3.34Å; E97-K100 IonicContact OE2-NZ 2.66Å; E97-K100 PolarHBondContact OE2-NZ 3.31Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.14Å |
| 101 | L | 96.5 | Very high | 95.1 | Very high | 126 Ų | 126 | 85.3 Ų | 85.3 | 66% | 0.66 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -11.2 | 179 | -55.2 | 176.4 | 0 | 0 | 0 | 112.8 | L98 R99 Y123 | L98-L101 WeakPolarHBondContact O-CB 3.38Å; L98-L101 PolarHBondContact O-N 3.33Å; L98-L101 VanDerWaalsContact O-N 3.14Å; R99-L101 PolarHBondContact O-N 2.91Å; L101-Y123 WeakPolarHBondContact O-CE1 3.37Å |
| 102 | L | 97 | Very high | 95.1 | Very high | 13 Ų | 13 | 82.9 Ų | 82.9 | 7% | 0.068 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -86.7 | 134.7 | -175 | -60.8 | -178 | 0 | 0 | 0 | 111.5 | L98 R99 T104 L111 I116 L119 A120 | L98-L102 WeakPolarHBondContact O-CG 3.25Å; R99-L102 PolarHBondContact O-N 3.3Å; L102-T104 PolarHBondContact O-N 3.24Å; L102-L111 HydrophobicContact CD1-CD1 4.11Å; L102-I116 HydrophobicContact CD1-CB 4.18Å; L102-I116 HydrophobicContact CD1-CG1 4.34Å; L102-I116 HydrophobicContact CD1-CG2 3.86Å; L102-I116 WeakPolarHBondContact CD1-O 3.43Å; L102-L119 HydrophobicContact CB-CD2 3.83Å; L102-L119 HydrophobicContact CB-CG 4.32Å; L102-L119 HydrophobicContact CD1-CB 4.16Å; L102-L119 HydrophobicContact CD1-CD2 4.06Å; L102-L119 HydrophobicContact CD1-CG 4.25Å; L102-L119 HydrophobicContact CD2-CG 4.42Å; L102-L119 HydrophobicContact CG-CD2 4.43Å; L102-A120 HydrophobicContact CD2-CB 3.87Å |
| 103 | P | 96 | Very high | 95.1 | Very high | 69 Ų | 69 | 84.5 Ų | 84.5 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | trans | -72.6 | 117.5 | 176.4 | 29 | -33.7 | 0 | 0 | 0 | 110.7 | Y123 | P103-Y123 HydrophobicContact CG-CD1 4.41Å; P103-Y123 HydrophobicContact CG-CD2 3.77Å; P103-Y123 HydrophobicContact CG-CE2 3.92Å; P103-Y123 HydrophobicContact CG-CG 4.04Å | ||
| 104 | T | 95.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 84 Ų | 84 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | trans | -135.2 | 150.2 | 174.2 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | L102 P106 P107 L111 L119 | L102-T104 PolarHBondContact O-N 3.24Å; T104-P106 CarbonylContact C-O 3.41Å; T104-P106 CarbonylContact O-C 3.46Å; T104-P106 PolarHBondContact OG1-O 2.91Å; T104-P107 PolarHBondContact OG1-O 2.99Å; T104-L111 HydrophobicContact CG2-CD1 3.77Å; T104-L111 HydrophobicContact CG2-CD2 4.28Å; T104-L111 HydrophobicContact CG2-CG 4.24Å; T104-L119 HydrophobicContact CG2-CD2 4.03Å | ||
| 105 | L | 89.7 | Confident | 95.1 | Very high | 161 Ų | 161 | 85 Ų | 85 | 84% | 0.843 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -123.4 | 120.8 | 169.4 | -149.3 | 77 | 0 | 0 | 0 | 109 | ||
| 106 | P | 90 | Very high | 95.1 | Very high | 72 Ų | 72 | 84.1 Ų | 84.1 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | S | Bend | cis | -65.8 | 165.1 | -9.7 | 31.2 | -36.6 | 0 | 0 | 0 | 112.8 | T104 D108 K109 | T104-P106 CarbonylContact C-O 3.41Å; T104-P106 CarbonylContact O-C 3.46Å; T104-P106 PolarHBondContact OG1-O 2.91Å; P106-D108 VanDerWaalsContact CB-OD1 3.32Å; P106-D108 WeakPolarHBondContact CB-OD1 3.49Å; P106-D108 VanDerWaalsContact CG-OD1 3.25Å; P106-D108 WeakPolarHBondContact CG-OD1 3.25Å; P106-D108 PolarHBondContact O-N 3.24Å; P106-K109 WeakPolarHBondContact O-CB 3.38Å; P106-K109 PolarHBondContact O-N 3.37Å |
| 107 | P | 86.4 | Confident | 95.1 | Very high | 112 Ų | 112 | 85.8 Ų | 85.8 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -62.4 | -26.4 | -177.1 | -24.2 | 34.4 | 0 | 0 | 0 | 114.4 | T104 | T104-P107 PolarHBondContact OG1-O 2.99Š|
| 108 | D | 86.7 | Confident | 95.2 | Very high | 121 Ų | 121 | 89 Ų | 89 | 65% | 0.647 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -76.9 | -61.8 | 175.3 | 59 | -15.6 | 0 | 0 | 0 | 109.9 | R99 P106 | R99-D108 PolarHBondContact NH2-O 3.42Å; P106-D108 VanDerWaalsContact CB-OD1 3.32Å; P106-D108 WeakPolarHBondContact CB-OD1 3.49Å; P106-D108 VanDerWaalsContact CG-OD1 3.25Å; P106-D108 WeakPolarHBondContact CG-OD1 3.25Å; P106-D108 PolarHBondContact O-N 3.24Å |
| 109 | K | 94.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 88.8 Ų | 88.8 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | trans | 37.6 | 176.5 | -176.1 | -174 | 162.2 | 172.9 | 129 | 0 | 113.6 | R99 P106 L111 | R99-K109 PolarHBondContact NH2-O 3.31Å; P106-K109 WeakPolarHBondContact O-CB 3.38Å; P106-K109 PolarHBondContact O-N 3.37Å; K109-L111 HydrophobicContact CD-CD2 4.03Å; K109-L111 HydrophobicContact CG-CD2 4.24Å | ||
| 110 | K | 93.8 | Very high | 95.2 | Very high | 197 Ų | 197 | 86.6 Ų | 86.6 | 86% | 0.857 | 44% | 0.439 | S | S | * | . | trans | -131.7 | 91.4 | 166.7 | -71.5 | -172.9 | -179.2 | 176.1 | 0 | 109.5 | R99 | R99-K110 VanDerWaalsContact NH2-CA 3.34Š| ||
| 111 | L | 95.1 | Very high | 95.3 | Very high | 23 Ų | 23 | 85 Ų | 85 | 12% | 0.12 | 44% | 0.437 | C | S | . | . | trans | -75.4 | 134.7 | 168.7 | -52.2 | 179.3 | 0 | 0 | 0 | 112.2 | R99 L102 T104 K109 E115 I116 L119 | R99-L111 HydrophobicContact CG-CD1 4.43Å; R99-L111 PolarHBondContact NH1-O 3.47Å; R99-L111 VanDerWaalsContact NH1-O 3.16Å; R99-L111 VanDerWaalsContact NH2-N 3.14Å; L102-L111 HydrophobicContact CD1-CD1 4.11Å; T104-L111 HydrophobicContact CG2-CD1 3.77Å; T104-L111 HydrophobicContact CG2-CD2 4.28Å; T104-L111 HydrophobicContact CG2-CG 4.24Å; K109-L111 HydrophobicContact CD-CD2 4.03Å; K109-L111 HydrophobicContact CG-CD2 4.24Å; L111-E115 HydrophobicContact CB-CB 4.24Å; L111-E115 HydrophobicContact CD2-CB 4.35Å; L111-I116 HydrophobicContact CB-CD1 4.32Å; L111-I116 HydrophobicContact CB-CG1 3.68Å; L111-I116 HydrophobicContact CD1-CG1 4.05Å; L111-L119 HydrophobicContact CD1-CD2 3.91Å | ||
| 112 | S | 97.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 83 Ų | 83 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | trans | -74.1 | 165.5 | 165.3 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | I114 E115 I116 | S112-I114 VanDerWaalsContact C-N 3.28Å; S112-I114 PolarHBondContact O-N 3.05Å; S112-I114 WeakPolarHBondContact OG-CG2 3.48Å; S112-E115 VanDerWaalsContact CB-OE2 3.28Å; S112-E115 WeakPolarHBondContact CB-OE2 3.49Å; S112-E115 PolarHBondContact N-OE2 3.49Å; S112-E115 PolarHBondContact O-N 2.89Å; S112-E115 VanDerWaalsContact O-N 3.17Å; S112-E115 VanDerWaalsContact OG-CG 3.31Å; S112-E115 WeakPolarHBondContact OG-CG 3.35Å; S112-E115 PolarHBondContact OG-N 3.19Å; S112-E115 PolarHBondContact OG-OE2 3.09Å; S112-I116 WeakPolarHBondContact O-CG1 3.42Å; S112-I116 PolarHBondContact O-N 3.48Å | ||
| 113 | K | 97.9 | Very high | 95.5 | Very high | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57 | -40.1 | 179 | -69.8 | -177.7 | 174.4 | 177.5 | 0 | 112.4 | F91 N92 F95 L117 | F91-K113 HydrophobicContact CE1-CD 4.11Å; N92-K113 WeakPolarHBondContact OD1-CE 3.48Å; N92-K113 PolarHBondContact OD1-NZ 3.31Å; F95-K113 HydrophobicContact CD1-CB 4.24Å; F95-K113 HydrophobicContact CD1-CG 3.94Å; F95-K113 HydrophobicContact CE1-CB 3.73Å; F95-K113 HydrophobicContact CE1-CG 3.89Å; F95-K113 HydrophobicContact CZ-CB 4.28Å; F95-K113 HydrophobicContact CZ-CG 4.45Å; K113-L117 WeakPolarHBondContact O-CG 3.42Å; K113-L117 PolarHBondContact O-N 3.13Å |
| 114 | I | 98.3 | Very high | 95.6 | Very high | 90 Ų | 90 | 87.5 Ų | 87.5 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.8 | -38 | 179.2 | -173.9 | 59.7 | 0 | 0 | 0 | 112.1 | S112 L117 R118 | S112-I114 VanDerWaalsContact C-N 3.28Å; S112-I114 PolarHBondContact O-N 3.05Å; S112-I114 WeakPolarHBondContact OG-CG2 3.48Å; I114-L117 PolarHBondContact O-N 2.96Å; I114-R118 HydrophobicContact CD1-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 2.71Å |
| 115 | E | 97.7 | Very high | 95.7 | Very high | 83 Ų | 83 | 89.4 Ų | 89.4 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176 | -71.6 | 167.4 | 123.3 | 0 | 0 | 111.4 | L111 S112 L117 R118 L119 | L111-E115 HydrophobicContact CB-CB 4.24Å; L111-E115 HydrophobicContact CD2-CB 4.35Å; S112-E115 VanDerWaalsContact CB-OE2 3.28Å; S112-E115 WeakPolarHBondContact CB-OE2 3.49Å; S112-E115 PolarHBondContact N-OE2 3.49Å; S112-E115 PolarHBondContact O-N 2.89Å; S112-E115 VanDerWaalsContact O-N 3.17Å; S112-E115 VanDerWaalsContact OG-CG 3.31Å; S112-E115 WeakPolarHBondContact OG-CG 3.35Å; S112-E115 PolarHBondContact OG-N 3.19Å; S112-E115 PolarHBondContact OG-OE2 3.09Å; E115-L117 VanDerWaalsContact C-N 3.31Å; E115-L117 PolarHBondContact O-N 3.23Å; E115-R118 PolarHBondContact O-N 3.12Å; E115-L119 WeakPolarHBondContact O-CB 3.23Å; E115-L119 PolarHBondContact O-N 3.16Å |
| 116 | I | 98.2 | Very high | 96.1 | Very high | 9 Ų | 9 | 88.4 Ų | 88.4 | 5% | 0.046 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -55.4 | -48.4 | 175 | -70.2 | 168.8 | 0 | 0 | 0 | 110.2 | F95 L98 R99 L102 L111 S112 A120 | F95-I116 HydrophobicContact CD1-CB 4.24Å; F95-I116 HydrophobicContact CD1-CD1 3.9Å; F95-I116 HydrophobicContact CD1-CG2 3.92Å; F95-I116 HydrophobicContact CE1-CB 4.23Å; F95-I116 HydrophobicContact CE1-CG2 4.05Å; L98-I116 HydrophobicContact CB-CG2 4.43Å; L98-I116 HydrophobicContact CD2-CG2 3.58Å; L98-I116 HydrophobicContact CG-CG2 3.82Å; R99-I116 HydrophobicContact CB-CD1 4.16Å; R99-I116 HydrophobicContact CG-CD1 4.32Å; L102-I116 HydrophobicContact CD1-CB 4.18Å; L102-I116 HydrophobicContact CD1-CG1 4.34Å; L102-I116 HydrophobicContact CD1-CG2 3.86Å; L102-I116 WeakPolarHBondContact CD1-O 3.43Å; L111-I116 HydrophobicContact CB-CD1 4.32Å; L111-I116 HydrophobicContact CB-CG1 3.68Å; L111-I116 HydrophobicContact CD1-CG1 4.05Å; S112-I116 WeakPolarHBondContact O-CG1 3.42Å; S112-I116 PolarHBondContact O-N 3.48Å; I116-A120 VanDerWaalsContact O-CB 3.27Å; I116-A120 WeakPolarHBondContact O-CB 3.32Å; I116-A120 PolarHBondContact O-N 3.16Å |
| 117 | L | 98.7 | Very high | 96.4 | Very high | 80 Ų | 80 | 88.1 Ų | 88.1 | 42% | 0.419 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | -179.9 | -67.5 | 176.8 | 0 | 0 | 0 | 112.3 | F95 K113 I114 E115 A120 I121 | F95-L117 HydrophobicContact CE1-CD2 4.24Å; F95-L117 HydrophobicContact CE1-CG 4.13Å; F95-L117 HydrophobicContact CZ-CD1 4.25Å; F95-L117 HydrophobicContact CZ-CD2 3.9Å; F95-L117 HydrophobicContact CZ-CG 4.02Å; K113-L117 WeakPolarHBondContact O-CG 3.42Å; K113-L117 PolarHBondContact O-N 3.13Å; I114-L117 PolarHBondContact O-N 2.96Å; E115-L117 VanDerWaalsContact C-N 3.31Å; E115-L117 PolarHBondContact O-N 3.23Å; L117-A120 PolarHBondContact O-N 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.5Å; L117-I121 PolarHBondContact O-N 3.36Å; L117-I121 VanDerWaalsContact O-N 3.14Å |
| 118 | R | 98.4 | Very high | 97 | Very high | 168 Ų | 168 | 86.9 Ų | 86.9 | 63% | 0.634 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 179 | -73.7 | 176.6 | 174.4 | -177.5 | -1.9 | 111.6 | I114 E115 I121 C122 | I114-R118 HydrophobicContact CD1-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 2.71Å; E115-R118 PolarHBondContact O-N 3.12Å; R118-I121 PolarHBondContact O-N 3.22Å; R118-C122 PolarHBondContact O-N 3.1Å; R118-C122 PolarHBondContact O-SG 3.37Å; R118-C122 VanDerWaalsContact O-SG 3.36Å |
| 119 | L | 97.9 | Very high | 97.5 | Very high | 51 Ų | 51 | 87 Ų | 87 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | -179.1 | -175.1 | 61.7 | 0 | 0 | 0 | 111.6 | L102 T104 L111 E115 C122 Y123 | L102-L119 HydrophobicContact CB-CD2 3.83Å; L102-L119 HydrophobicContact CB-CG 4.32Å; L102-L119 HydrophobicContact CD1-CB 4.16Å; L102-L119 HydrophobicContact CD1-CD2 4.06Å; L102-L119 HydrophobicContact CD1-CG 4.25Å; L102-L119 HydrophobicContact CD2-CG 4.42Å; L102-L119 HydrophobicContact CG-CD2 4.43Å; T104-L119 HydrophobicContact CG2-CD2 4.03Å; L111-L119 HydrophobicContact CD1-CD2 3.91Å; E115-L119 WeakPolarHBondContact O-CB 3.23Å; E115-L119 PolarHBondContact O-N 3.16Å; L119-C122 PolarHBondContact O-N 3.07Å; L119-Y123 VanDerWaalsContact O-CB 3.23Å; L119-Y123 WeakPolarHBondContact O-CB 3.44Å; L119-Y123 PolarHBondContact O-N 3.22Å |
| 120 | A | 98.5 | Very high | 97.6 | Very high | 12 Ų | 12 | 85.4 Ų | 85.4 | 10% | 0.099 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L98 L102 I116 L117 Y123 I124 | L98-A120 HydrophobicContact CD1-CB 4.17Å; L98-A120 HydrophobicContact CD2-CB 4.35Å; L102-A120 HydrophobicContact CD2-CB 3.87Å; I116-A120 VanDerWaalsContact O-CB 3.27Å; I116-A120 WeakPolarHBondContact O-CB 3.32Å; I116-A120 PolarHBondContact O-N 3.16Å; L117-A120 PolarHBondContact O-N 3.27Å; A120-Y123 PolarHBondContact O-N 2.88Å; A120-I124 WeakPolarHBondContact O-CG1 3.45Å; A120-I124 PolarHBondContact O-N 3.46Å |
| 121 | I | 98.4 | Very high | 97.7 | Very high | 113 Ų | 113 | 82.3 Ų | 82.3 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.4 | -49.9 | 177 | -66.7 | 164 | 0 | 0 | 0 | 110.4 | L117 R118 Y123 I124 S125 | L117-I121 WeakPolarHBondContact O-CG1 3.5Å; L117-I121 PolarHBondContact O-N 3.36Å; L117-I121 VanDerWaalsContact O-N 3.14Å; R118-I121 PolarHBondContact O-N 3.22Å; I121-Y123 VanDerWaalsContact C-N 3.28Å; I121-Y123 PolarHBondContact O-N 3.45Å; I121-I124 PolarHBondContact O-N 3.43Å; I121-S125 PolarHBondContact O-N 2.94Å; I121-S125 VanDerWaalsContact O-N 3.1Å; I121-S125 PolarHBondContact O-OG 2.86Å |
| 122 | C | 98.1 | Very high | 97.4 | Very high | 82 Ų | 82 | 88 Ų | 88 | 55% | 0.554 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60 | -39.6 | 178.1 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | R118 L119 S125 Y126 | R118-C122 PolarHBondContact O-N 3.1Å; R118-C122 PolarHBondContact O-SG 3.37Å; R118-C122 VanDerWaalsContact O-SG 3.36Å; L119-C122 PolarHBondContact O-N 3.07Å; C122-S125 PolarHBondContact O-N 3.34Å; C122-Y126 WeakPolarHBondContact O-CB 3.32Å; C122-Y126 PolarHBondContact O-N 3.34Å |
| 123 | Y | 98 | Very high | 95.6 | Very high | 77 Ų | 77 | 92.9 Ų | 92.9 | 30% | 0.302 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.8 | -41.8 | -177.2 | -173.2 | -136.5 | 0 | 0 | 0 | 112.1 | L101 P103 L119 A120 I121 S125 Y126 L127 | L101-Y123 WeakPolarHBondContact O-CE1 3.37Å; P103-Y123 HydrophobicContact CG-CD1 4.41Å; P103-Y123 HydrophobicContact CG-CD2 3.77Å; P103-Y123 HydrophobicContact CG-CE2 3.92Å; P103-Y123 HydrophobicContact CG-CG 4.04Å; L119-Y123 VanDerWaalsContact O-CB 3.23Å; L119-Y123 WeakPolarHBondContact O-CB 3.44Å; L119-Y123 PolarHBondContact O-N 3.22Å; A120-Y123 PolarHBondContact O-N 2.88Å; I121-Y123 VanDerWaalsContact C-N 3.28Å; I121-Y123 PolarHBondContact O-N 3.45Å; Y123-S125 VanDerWaalsContact C-N 3.35Å; Y123-S125 PolarHBondContact O-N 2.98Å; Y123-Y126 HydrophobicContact CD2-CD1 4.16Å; Y123-Y126 HydrophobicContact CE2-CD1 4.2Å; Y123-Y126 PolarHBondContact O-N 3.11Å; Y123-L127 HydrophobicContact CD1-CD1 4.24Å; Y123-L127 HydrophobicContact CD2-CD1 4.42Å; Y123-L127 HydrophobicContact CD2-CG 4.13Å; Y123-L127 HydrophobicContact CE1-CD1 3.87Å; Y123-L127 HydrophobicContact CE2-CD1 4.05Å; Y123-L127 HydrophobicContact CE2-CD2 3.8Å; Y123-L127 HydrophobicContact CE2-CG 3.82Å; Y123-L127 WeakPolarHBondContact O-CG 3.34Å; Y123-L127 PolarHBondContact O-N 2.88Å |
| 124 | I | 98.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 92.6 Ų | 92.6 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 172.4 | -67.7 | 165.6 | 0 | 0 | 0 | 110.2 | A120 I121 Y126 L127 N128 | A120-I124 WeakPolarHBondContact O-CG1 3.45Å; A120-I124 PolarHBondContact O-N 3.46Å; I121-I124 PolarHBondContact O-N 3.43Å; I124-Y126 VanDerWaalsContact C-N 3.31Å; I124-Y126 PolarHBondContact O-N 3.35Å; I124-L127 PolarHBondContact O-N 3.07Å; I124-N128 PolarHBondContact O-N 3.42Å; I124-N128 PolarHBondContact O-ND2 3.36Å |
| 125 | S | 97.9 | Very high | 95.4 | Very high | 72 Ų | 72 | 92.7 Ų | 92.7 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | I121 C122 Y123 H129 | I121-S125 PolarHBondContact O-N 2.94Å; I121-S125 VanDerWaalsContact O-N 3.1Å; I121-S125 PolarHBondContact O-OG 2.86Å; C122-S125 PolarHBondContact O-N 3.34Å; Y123-S125 VanDerWaalsContact C-N 3.35Å; Y123-S125 PolarHBondContact O-N 2.98Å; S125-H129 PolarHBondContact O-N 3.27Å; S125-H129 VanDerWaalsContact O-N 3.08Å |
| 126 | Y | 97.8 | Very high | 95.2 | Very high | 140 Ų | 140 | 93.3 Ų | 93.3 | 55% | 0.549 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 175.8 | 170.9 | -101.2 | 0 | 0 | 0 | 111.8 | C122 Y123 I124 N128 H129 V130 | C122-Y126 WeakPolarHBondContact O-CB 3.32Å; C122-Y126 PolarHBondContact O-N 3.34Å; Y123-Y126 HydrophobicContact CD2-CD1 4.16Å; Y123-Y126 HydrophobicContact CE2-CD1 4.2Å; Y123-Y126 PolarHBondContact O-N 3.11Å; I124-Y126 VanDerWaalsContact C-N 3.31Å; I124-Y126 PolarHBondContact O-N 3.35Å; Y126-N128 VanDerWaalsContact C-N 3.34Å; Y126-N128 PolarHBondContact O-N 2.94Å; Y126-H129 PolarHBondContact O-N 2.65Å; Y126-V130 HydrophobicContact CD1-CG2 4.39Å; Y126-V130 HydrophobicContact CD2-CG2 4.32Å; Y126-V130 HydrophobicContact CE1-CG2 3.92Å; Y126-V130 HydrophobicContact CE2-CG2 3.84Å; Y126-V130 WeakPolarHBondContact O-CG2 3.42Å; Y126-V130 PolarHBondContact O-N 3.44Å |
| 127 | L | 97.3 | Very high | 95.1 | Very high | 66 Ų | 66 | 98.2 Ų | 98.2 | 35% | 0.346 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.7 | -68.4 | 177.6 | 0 | 0 | 0 | 111.8 | Y123 I124 H129 V130 L131 | Y123-L127 HydrophobicContact CD1-CD1 4.24Å; Y123-L127 HydrophobicContact CD2-CD1 4.42Å; Y123-L127 HydrophobicContact CD2-CG 4.13Å; Y123-L127 HydrophobicContact CE1-CD1 3.87Å; Y123-L127 HydrophobicContact CE2-CD1 4.05Å; Y123-L127 HydrophobicContact CE2-CD2 3.8Å; Y123-L127 HydrophobicContact CE2-CG 3.82Å; Y123-L127 WeakPolarHBondContact O-CG 3.34Å; Y123-L127 PolarHBondContact O-N 2.88Å; I124-L127 PolarHBondContact O-N 3.07Å; L127-H129 VanDerWaalsContact C-N 3.35Å; L127-H129 PolarHBondContact O-N 3.25Å; L127-V130 PolarHBondContact O-N 3.36Å; L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 3.34Å |
| 128 | N | 97.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 99.4 Ų | 99.4 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 174.8 | -71.9 | -21 | 0 | 0 | 0 | 111.3 | I124 Y126 V130 L131 D132 | I124-N128 PolarHBondContact O-N 3.42Å; I124-N128 PolarHBondContact O-ND2 3.36Å; Y126-N128 VanDerWaalsContact C-N 3.34Å; Y126-N128 PolarHBondContact O-N 2.94Å; N128-V130 VanDerWaalsContact C-N 3.31Å; N128-V130 PolarHBondContact O-N 3.11Å; N128-L131 PolarHBondContact O-N 3.14Å; N128-L131 VanDerWaalsContact O-N 3.13Å; N128-D132 VanDerWaalsContact O-CG 3.29Å; N128-D132 PolarHBondContact O-N 3.19Å |
| 129 | H | 96.8 | Very high | 94.6 | Very high | 124 Ų | 124 | 94.8 Ų | 94.8 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 177 | -179.2 | 52.8 | 0 | 0 | 0 | 112.8 | S125 Y126 L127 L131 V133 | S125-H129 PolarHBondContact O-N 3.27Å; S125-H129 VanDerWaalsContact O-N 3.08Å; Y126-H129 PolarHBondContact O-N 2.65Å; L127-H129 VanDerWaalsContact C-N 3.35Å; L127-H129 PolarHBondContact O-N 3.25Å; H129-L131 VanDerWaalsContact C-N 3.3Å; H129-L131 PolarHBondContact O-N 3.15Å; H129-V133 VanDerWaalsContact O-CG2 3.26Å; H129-V133 WeakPolarHBondContact O-CG2 3.18Å; H129-V133 PolarHBondContact O-N 3.43Å |
| 130 | V | 96.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 97.9 Ų | 97.9 | 42% | 0.418 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -31.7 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | Y126 L127 N128 | Y126-V130 HydrophobicContact CD1-CG2 4.39Å; Y126-V130 HydrophobicContact CD2-CG2 4.32Å; Y126-V130 HydrophobicContact CE1-CG2 3.92Å; Y126-V130 HydrophobicContact CE2-CG2 3.84Å; Y126-V130 WeakPolarHBondContact O-CG2 3.42Å; Y126-V130 PolarHBondContact O-N 3.44Å; L127-V130 PolarHBondContact O-N 3.36Å; N128-V130 VanDerWaalsContact C-N 3.31Å; N128-V130 PolarHBondContact O-N 3.11Å |
| 131 | L | 95.5 | Very high | 94 | Very high | 133 Ų | 133 | 104.5 Ų | 104.5 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -82.8 | -26.6 | 179.7 | -68.7 | 172.4 | 0 | 0 | 0 | 113.6 | L127 N128 H129 V133 | L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 3.34Å; N128-L131 PolarHBondContact O-N 3.14Å; N128-L131 VanDerWaalsContact O-N 3.13Å; H129-L131 VanDerWaalsContact C-N 3.3Å; H129-L131 PolarHBondContact O-N 3.15Å; L131-V133 VanDerWaalsContact C-N 3.29Å |
| 132 | D | 90.4 | Very high | 93.7 | Very high | 142 Ų | 142 | 103.8 Ų | 103.8 | 76% | 0.759 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -80 | -11.3 | 177.8 | -70.3 | -28.7 | 0 | 0 | 0 | 113.1 | N128 | N128-D132 VanDerWaalsContact O-CG 3.29Å; N128-D132 PolarHBondContact O-N 3.19Å |
| 133 | V | 59.6 | Low | 93.3 | Very high | 155 Ų | 155 | 105.8 Ų | 105.8 | 94% | 0.939 | 55% | 0.551 | S | S | * | * | trans | -95.1 | 0 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | H129 L131 | H129-V133 VanDerWaalsContact O-CG2 3.26Å; H129-V133 WeakPolarHBondContact O-CG2 3.18Å; H129-V133 PolarHBondContact O-N 3.43Å; L131-V133 VanDerWaalsContact C-N 3.29Å |
Retrieved 133 of 133 residues in 65.2 ms
(Link to these results)