| 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 | 42.8 | Very low | 46.5 | Very low | 253 Ų | 253 | 149.8 Ų | 149.8 | 100% | 1.246 | 90% | 0.9 | S | S | * | * | 0 | 150.3 | 0 | -77.4 | 165.7 | 159.4 | 0 | 0 | 107.8 | |||||
| 2 | A | 44.5 | Very low | 46.5 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 83% | 0.826 | 89% | 0.891 | S | S | * | * | trans | -106.3 | 148.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3 | A | 41.1 | Very low | 46.1 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 81% | 0.81 | 89% | 0.887 | S | S | * | * | trans | -150.3 | 122.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | T | 49.3 | Very low | 45.9 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 87% | 0.865 | 88% | 0.882 | S | S | * | * | trans | -149.5 | 139.5 | -177.9 | 47 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 5 | G | 49 | Very low | 45.7 | Very low | 76 Ų | 76 | 146.2 Ų | 146.2 | 78% | 0.784 | 88% | 0.876 | S | S | * | * | trans | 99.4 | 156 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 6 | E | 49.4 | Very low | 45.8 | Very low | 196 Ų | 196 | 152 Ų | 152 | 92% | 0.916 | 88% | 0.877 | S | S | * | * | cis | -157.9 | 97.7 | 5.4 | -172.5 | 163.9 | 109.1 | 0 | 0 | 111.3 | ||||
| 7 | E | 48.3 | Very low | 45.4 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 94% | 0.935 | 88% | 0.88 | S | S | * | * | trans | -162.6 | 97.7 | 164.1 | -133.2 | 179.5 | -162.9 | 0 | 0 | 110.6 | ||||
| 8 | A | 45.2 | Very low | 44.9 | Very low | 107 Ų | 107 | 149 Ų | 149 | 88% | 0.884 | 87% | 0.869 | S | S | * | * | trans | -160.6 | 18.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 9 | A | 47 | Very low | 44.8 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 82% | 0.818 | 87% | 0.869 | S | S | * | * | trans | -115.3 | 1.6 | -155.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 10 | E | 47.9 | Very low | 44.2 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 87% | 0.868 | S | S | * | * | S | Bend | trans | -123.6 | 48.3 | -170.2 | -63.8 | -155.5 | 140.4 | 0 | 0 | 115.8 | ||
| 11 | M | 46.8 | Very low | 43.8 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 95% | 0.951 | 87% | 0.869 | S | S | * | * | trans | -140.5 | 15.4 | 173.1 | -74.7 | -155.1 | -179.5 | 0 | 0 | 117.4 | ||||
| 12 | D | 46.2 | Very low | 44.3 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | -99.6 | 18.5 | -173.5 | -156.8 | 37.2 | 0 | 0 | 0 | 115.5 | ||||
| 13 | C | 41.9 | Very low | 43.7 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 83% | 0.831 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -97.4 | -8 | -162.5 | -62.8 | 0 | 0 | 0 | 0 | 117.1 | ||
| 14 | I | 43.2 | Very low | 43.5 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | trans | -107.1 | -15.1 | -163.3 | -56 | -178.3 | 0 | 0 | 0 | 113.7 | R16 | I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 3.01Å | ||
| 15 | S | 43.1 | Very low | 42.7 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 85% | 0.846 | S | S | * | * | trans | -78.8 | 47.6 | -167.6 | -56.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 16 | R | 47.8 | Very low | 42.3 | Very low | 239 Ų | 239 | 148.2 Ų | 148.2 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -138.7 | 66.5 | 174.3 | -75.1 | -163.2 | 177.5 | -166.6 | 1.5 | 115 | I14 | I14-R16 VanDerWaalsContact C-N 3.28Å; I14-R16 PolarHBondContact O-N 3.01Å | ||
| 17 | V | 37.8 | Very low | 41.5 | Very low | 151 Ų | 151 | 147 Ų | 147 | 92% | 0.915 | 85% | 0.847 | S | S | * | * | trans | -127.9 | 146.5 | 151.6 | -179 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 18 | S | 37.6 | Very low | 40.7 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 84% | 0.841 | S | S | * | * | trans | -108.7 | 145.7 | -164.6 | -167.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 19 | L | 41.6 | Very low | 40.2 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | 23.4 | 117 | 160.3 | -88 | 67 | 0 | 0 | 0 | 119.6 | ||||
| 20 | A | 32.6 | Very low | 39.6 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | -159.7 | 129.8 | 120.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 21 | H | 36.7 | Very low | 39 | Very low | 192 Ų | 192 | 138 Ų | 138 | 89% | 0.889 | 84% | 0.839 | S | S | * | * | trans | -123.6 | 169.6 | 165.4 | -90.8 | -84.9 | 0 | 0 | 0 | 107.2 | ||||
| 22 | P | 52.8 | Low | 38.5 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | cis | -136.5 | 175.5 | -41.4 | 38.7 | -23.6 | 0 | 0 | 0 | 112 | ||||
| 23 | T | 32.4 | Very low | 38.3 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -144.2 | 139.5 | 152.5 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 24 | A | 37.8 | Very low | 37.9 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -90.5 | 154.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 25 | L | 32.4 | Very low | 37.2 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | trans | -124.1 | 132.8 | 158.9 | -72.6 | 175.6 | 0 | 0 | 0 | 108.7 | ||||
| 26 | S | 39.4 | Very low | 36.7 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -112.1 | 131.5 | 173.7 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 27 | L | 33.7 | Very low | 36.4 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -123.7 | 101.1 | 174.9 | -79 | 168.4 | 0 | 0 | 0 | 108.8 | ||||
| 28 | G | 31.4 | Very low | 35.9 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 133.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 29 | G | 34.9 | Very low | 35.6 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -90.2 | 161.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 30 | S | 32.8 | Very low | 35.1 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -143.9 | 138.1 | 164.4 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 31 | S | 35.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -83.8 | 161 | -174.6 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 32 | E | 36.8 | Very low | 34.9 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | trans | -63.9 | 174.9 | 162 | -50.2 | -172.5 | 126.8 | 0 | 0 | 112.1 | ||||
| 33 | P | 42.3 | Very low | 33.8 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | -142.6 | 137.1 | 85 | 35.7 | -19.1 | 0 | 0 | 0 | 117.1 | |||||
| 34 | R | 33 | Very low | 33.6 | Very low | 207 Ų | 207 | 130.8 Ų | 130.8 | 78% | 0.781 | 84% | 0.837 | S | S | * | * | trans | 0.5 | 138 | 142.5 | -175.5 | -178.4 | -177.6 | -155.8 | -1.5 | 119.5 | E36 | R34-E36 IonicContact NH2-OE2 2.69Š| ||
| 35 | G | 28.1 | Very low | 33.2 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -160.9 | 131.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 36 | E | 33.6 | Very low | 33.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -118.5 | 154.8 | 165 | -59.4 | 174.1 | 99.6 | 0 | 0 | 107.3 | R34 | R34-E36 IonicContact NH2-OE2 2.69Š| ||
| 37 | P | 40.3 | Very low | 33 | Very low | 138 Ų | 138 | 134 Ų | 134 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | -155.7 | 177.7 | 91 | 41.4 | -23.6 | 0 | 0 | 0 | 115.7 | |||||
| 38 | G | 28.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 139.3 | 108.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 39 | E | 31.7 | Very low | 32.9 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -81 | 155.4 | 170.8 | -60.8 | 162 | 94.8 | 0 | 0 | 112.4 | ||||
| 40 | T | 30 | Very low | 32.7 | Very low | 153 Ų | 153 | 136 Ų | 136 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -165.2 | 141.7 | 134.9 | 4.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 41 | A | 34.5 | Very low | 32.9 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -112.5 | 157.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 42 | S | 31.1 | Very low | 33.2 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -154.9 | 144.1 | 166.4 | -154.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 43 | E | 29.8 | Very low | 33.2 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -117.4 | 156.6 | -172.8 | -60.8 | 175.4 | 106.9 | 0 | 0 | 112 | ||||
| 44 | G | 28.6 | Very low | 33 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 75.8 | 171.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 45 | Q | 29.5 | Very low | 33.4 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | cis | -152 | 166.7 | -20 | -176.1 | 165.2 | 1.1 | 0 | 0 | 109.3 | ||||
| 46 | E | 32.6 | Very low | 33.7 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -39.9 | 154.1 | 171.3 | -52.8 | 155.9 | 98.1 | 0 | 0 | 116.2 | ||||
| 47 | V | 33.8 | Very low | 33.6 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -128.3 | 119 | 159.3 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 48 | V | 36.2 | Very low | 33.3 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 67% | 0.667 | 80% | 0.802 | S | S | * | * | trans | -107.8 | 176.3 | 172.3 | 173.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 49 | T | 27.8 | Very low | 33.9 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | 92.8 | 150.2 | 174.5 | 80.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 50 | T | 30.8 | Very low | 34.1 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | cis | -135.4 | 170.7 | 5.7 | 48 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 51 | A | 36.8 | Very low | 35 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -142.2 | 149.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 52 | P | 41.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -150.2 | 137.4 | 141.1 | 33.5 | -14.7 | 0 | 0 | 0 | 118.2 | ||||
| 53 | K | 36.8 | Very low | 36.4 | Very low | 215 Ų | 215 | 130.6 Ų | 130.6 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | trans | 83 | 148 | 140.7 | -72.8 | 178.3 | 174.6 | 176.2 | 0 | 122.5 | ||||
| 54 | K | 37.8 | Very low | 37.6 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -116.7 | 144.5 | -170.2 | -176.4 | -167.3 | -173.6 | 177.4 | 0 | 110.7 | ||||
| 55 | P | 41.5 | Very low | 38.8 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -144.8 | 168.3 | 123.1 | 37.7 | -23.3 | 0 | 0 | 0 | 112.4 | |||||
| 56 | T | 33.8 | Very low | 40.1 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | cis | -168.1 | 139.8 | -20.1 | 28.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 57 | N | 32.3 | Very low | 41.4 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 62.9 | 163.1 | 172.9 | 91.3 | 65.6 | 0 | 0 | 0 | 115.7 | ||||
| 58 | S | 33 | Very low | 42.4 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | -135.5 | 175.6 | 0.7 | -84.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 59 | S | 41.4 | Very low | 43.5 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -61.6 | 136.1 | 174.2 | 173.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 60 | D | 36.7 | Very low | 45.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -147.9 | 159.6 | 133.7 | -156.9 | 3.3 | 0 | 0 | 0 | 110.3 | ||||
| 61 | G | 49.2 | Very low | 46.8 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -100.5 | 98.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 62 | G | 44.4 | Very low | 48.3 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -117.8 | 114.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | E64 | G62-E64 PolarHBondContact O-N 2.9Š| ||
| 63 | V | 49.7 | Very low | 49.6 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -85.9 | 89.7 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | T65 | V63-T65 PolarHBondContact O-N 2.97Š| ||
| 64 | E | 54.8 | Low | 51.3 | Low | 190 Ų | 190 | 132.6 Ų | 132.6 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -66.6 | 102.1 | 163.9 | -65.7 | -173.2 | 136.7 | 0 | 0 | 107.3 | G62 A66 | G62-E64 PolarHBondContact O-N 2.9Å; E64-A66 PolarHBondContact O-N 3.3Å | ||
| 65 | T | 54.2 | Low | 53.1 | Low | 126 Ų | 126 | 127.8 Ų | 127.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -60.1 | 110 | 167.4 | 35.7 | 0 | 0 | 0 | 0 | 107.7 | V63 E67 | V63-T65 PolarHBondContact O-N 2.97Å; T65-E67 PolarHBondContact O-N 3.33Å; T65-E67 VanDerWaalsContact O-N 3.12Å | ||
| 66 | A | 57.1 | Low | 55.2 | Low | 93 Ų | 93 | 126.4 Ų | 126.4 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 120.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | E64 E68 | E64-A66 PolarHBondContact O-N 3.3Å; A66-E68 PolarHBondContact O-N 3.2Å; A66-E68 VanDerWaalsContact O-N 3.09Å |
| 67 | E | 60.6 | Low | 57.9 | Low | 190 Ų | 190 | 126.7 Ų | 126.7 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 116.2 | 170.5 | -169.8 | 172 | 133.1 | 0 | 0 | 106.9 | T65 A69 | T65-E67 PolarHBondContact O-N 3.33Å; T65-E67 VanDerWaalsContact O-N 3.12Å; E67-A69 PolarHBondContact O-N 3.1Å; E67-A69 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 54.3 | Low | 60.7 | Low | 168 Ų | 168 | 124.6 Ų | 124.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 118.1 | -179.7 | -174.1 | 171.4 | 169.8 | 0 | 0 | 107.3 | A66 V70 | A66-E68 PolarHBondContact O-N 3.2Å; A66-E68 VanDerWaalsContact O-N 3.09Å; E68-V70 PolarHBondContact O-N 3.37Å |
| 69 | A | 60 | Low | 63.5 | Low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -70 | 83.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | E67 E71 | E67-A69 PolarHBondContact O-N 3.1Å; E67-A69 VanDerWaalsContact O-N 3.09Å; A69-E71 PolarHBondContact O-N 3.15Å | ||
| 70 | V | 63.3 | Low | 66 | Low | 123 Ų | 123 | 124.3 Ų | 124.3 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | trans | -55.7 | 107.1 | -179.5 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | E68 | E68-V70 PolarHBondContact O-N 3.37Š| ||
| 71 | E | 63.4 | Low | 68.7 | Low | 173 Ų | 173 | 119.2 Ų | 119.2 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 126.3 | 172.6 | -169.9 | 163.1 | -137.8 | 0 | 0 | 107.4 | A69 A73 | A69-E71 PolarHBondContact O-N 3.15Å; E71-A73 PolarHBondContact O-N 3.19Å |
| 72 | P | 67.7 | Low | 70.9 | Confident | 116 Ų | 116 | 119.6 Ų | 119.6 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 118.4 | -173.1 | 23.6 | -33.4 | 0 | 0 | 0 | 108.5 | E74 | P72-E74 PolarHBondContact O-N 2.91Š|
| 73 | A | 69.4 | Low | 73.4 | Confident | 94 Ų | 94 | 119.4 Ų | 119.4 | 78% | 0.777 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -49 | 128 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E71 | E71-A73 PolarHBondContact O-N 3.19Š|
| 74 | E | 71.8 | Confident | 75.6 | Confident | 187 Ų | 187 | 117.2 Ų | 117.2 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.7 | -178.3 | -64 | -171.3 | 147.4 | 0 | 0 | 109.5 | P72 | P72-E74 PolarHBondContact O-N 2.91Š|
| 75 | P | 75.8 | Confident | 77.6 | Confident | 90 Ų | 90 | 114.6 Ų | 114.6 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -62 | 142.5 | -175.1 | 25.7 | -34.5 | 0 | 0 | 0 | 110.4 | I77 | P75-I77 PolarHBondContact O-N 2.93Š|
| 76 | D | 86.4 | Confident | 79.7 | Confident | 79 Ų | 79 | 113.4 Ų | 113.4 | 42% | 0.422 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 126.3 | 177.5 | -175.1 | -14.5 | 0 | 0 | 0 | 109 | N78 E79 L80 | D76-N78 PolarHBondContact O-N 3.27Å; D76-N78 VanDerWaalsContact O-N 3.08Å; D76-N78 WeakPolarHBondContact OD1-CB 3.29Å; D76-N78 PolarHBondContact OD1-N 3.16Å; D76-N78 PolarHBondContact OD1-ND2 3.05Å; D76-E79 HydrophobicContact CB-CB 4.35Å; D76-E79 HydrophobicContact CB-CG 4.08Å; D76-E79 PolarHBondContact O-N 2.93Å; D76-L80 PolarHBondContact O-N 3.05Å |
| 77 | I | 90.3 | Very high | 81.6 | Confident | 114 Ų | 114 | 115 Ų | 115 | 59% | 0.585 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -53.8 | -29.8 | 177.7 | -169.5 | 60.4 | 0 | 0 | 0 | 111.9 | P75 C81 | P75-I77 PolarHBondContact O-N 2.93Å; I77-C81 VanDerWaalsContact O-CB 3.31Å; I77-C81 WeakPolarHBondContact O-CB 3.49Å; I77-C81 PolarHBondContact O-N 3.21Å; I77-C81 PolarHBondContact O-SG 3.43Å |
| 78 | N | 91.3 | Very high | 83.4 | Confident | 105 Ų | 105 | 110.1 Ų | 110.1 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.5 | -43.8 | 175.3 | -60.2 | -79.4 | 0 | 0 | 0 | 111.8 | D76 C81 T82 | D76-N78 PolarHBondContact O-N 3.27Å; D76-N78 VanDerWaalsContact O-N 3.08Å; D76-N78 WeakPolarHBondContact OD1-CB 3.29Å; D76-N78 PolarHBondContact OD1-N 3.16Å; D76-N78 PolarHBondContact OD1-ND2 3.05Å; N78-C81 PolarHBondContact O-N 3.41Å; N78-T82 PolarHBondContact O-N 3.19Å; N78-T82 PolarHBondContact O-OG1 2.94Å |
| 79 | E | 91.4 | Very high | 85.5 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.6 | -43.2 | 175.9 | -66.7 | -175.4 | 156.3 | 0 | 0 | 111 | D76 C81 T82 D83 | D76-E79 HydrophobicContact CB-CB 4.35Å; D76-E79 HydrophobicContact CB-CG 4.08Å; D76-E79 PolarHBondContact O-N 2.93Å; E79-C81 PolarHBondContact O-N 3.13Å; E79-T82 PolarHBondContact O-N 2.91Å; E79-D83 WeakPolarHBondContact O-CB 3.5Å; E79-D83 PolarHBondContact O-N 3.27Å |
| 80 | L | 93.8 | Very high | 87.3 | Confident | 87 Ų | 87 | 105.4 Ų | 105.4 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -37.4 | 176.3 | -177.3 | 60.8 | 0 | 0 | 0 | 112.4 | D76 M84 | D76-L80 PolarHBondContact O-N 3.05Å; L80-M84 WeakPolarHBondContact O-CB 3.49Å; L80-M84 PolarHBondContact O-N 3.39Å |
| 81 | C | 95 | Very high | 89 | Confident | 55 Ų | 55 | 105 Ų | 105 | 37% | 0.372 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65 | -43.4 | 172.1 | -80.9 | 0 | 0 | 0 | 0 | 112 | I77 N78 E79 M84 F85 | I77-C81 VanDerWaalsContact O-CB 3.31Å; I77-C81 WeakPolarHBondContact O-CB 3.49Å; I77-C81 PolarHBondContact O-N 3.21Å; I77-C81 PolarHBondContact O-SG 3.43Å; N78-C81 PolarHBondContact O-N 3.41Å; E79-C81 PolarHBondContact O-N 3.13Å; C81-M84 PolarHBondContact O-N 2.91Å; C81-F85 WeakPolarHBondContact O-CD2 3.29Å; C81-F85 PolarHBondContact O-N 2.62Å |
| 82 | T | 95.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 101.7 Ų | 101.7 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.3 | -49.3 | 176.3 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | N78 E79 M84 F85 D86 | N78-T82 PolarHBondContact O-N 3.19Å; N78-T82 PolarHBondContact O-OG1 2.94Å; E79-T82 PolarHBondContact O-N 2.91Å; T82-M84 VanDerWaalsContact C-N 3.27Å; T82-M84 PolarHBondContact O-N 2.89Å; T82-F85 PolarHBondContact O-N 3.39Å; T82-F85 VanDerWaalsContact O-N 3.08Å; T82-D86 PolarHBondContact O-N 3.34Å |
| 83 | D | 95.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 101.6 Ų | 101.6 | 35% | 0.348 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57 | -38.9 | 176.1 | 172.7 | 76.4 | 0 | 0 | 0 | 112.4 | E79 K87 | E79-D83 WeakPolarHBondContact O-CB 3.5Å; E79-D83 PolarHBondContact O-N 3.27Å; D83-K87 VanDerWaalsContact O-CB 3.31Å; D83-K87 WeakPolarHBondContact O-CB 3.41Å; D83-K87 VanDerWaalsContact O-CG 3.28Å; D83-K87 WeakPolarHBondContact O-CG 3.31Å; D83-K87 PolarHBondContact O-N 3.01Å; D83-K87 WeakPolarHBondContact OD1-CE 3.49Å; D83-K87 IonicContact OD1-NZ 3.54Å; D83-K87 PolarHBondContact OD1-NZ 3.12Å; D83-K87 WeakPolarHBondContact OD2-CE 3.28Å; D83-K87 IonicContact OD2-NZ 2.65Å; D83-K87 PolarHBondContact OD2-NZ 3.24Å |
| 84 | M | 96.5 | Very high | 93.5 | Very high | 91 Ų | 91 | 99 Ų | 99 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 174.9 | -168.7 | -82.7 | -68.4 | 0 | 0 | 112.2 | L80 C81 T82 M88 | L80-M84 WeakPolarHBondContact O-CB 3.49Å; L80-M84 PolarHBondContact O-N 3.39Å; C81-M84 PolarHBondContact O-N 2.91Å; T82-M84 VanDerWaalsContact C-N 3.27Å; T82-M84 PolarHBondContact O-N 2.89Å; M84-M88 VanDerWaalsContact O-CB 3.23Å; M84-M88 WeakPolarHBondContact O-CB 3.47Å; M84-M88 PolarHBondContact O-N 2.7Å; M84-M88 HydrophobicContact SD-CE 4.42Å |
| 85 | F | 97.3 | Very high | 94.7 | Very high | 136 Ų | 136 | 95.7 Ų | 95.7 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 175 | -75.7 | -58.9 | 0 | 0 | 0 | 112.7 | C81 T82 M88 A89 | C81-F85 WeakPolarHBondContact O-CD2 3.29Å; C81-F85 PolarHBondContact O-N 2.62Å; T82-F85 PolarHBondContact O-N 3.39Å; T82-F85 VanDerWaalsContact O-N 3.08Å; F85-M88 PolarHBondContact O-N 2.79Å; F85-A89 WeakPolarHBondContact O-CB 3.5Å; F85-A89 PolarHBondContact O-N 3.5Å |
| 86 | D | 97.6 | Very high | 95.8 | Very high | 101 Ų | 101 | 96.2 Ų | 96.2 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 177.8 | -74.3 | -23 | 0 | 0 | 0 | 111.2 | T82 M88 A89 V90 | T82-D86 PolarHBondContact O-N 3.34Å; D86-M88 VanDerWaalsContact C-N 3.35Å; D86-M88 PolarHBondContact O-N 2.98Å; D86-A89 PolarHBondContact O-N 2.97Å; D86-V90 WeakPolarHBondContact O-CG2 3.25Å; D86-V90 PolarHBondContact O-N 3.31Å |
| 87 | K | 97.9 | Very high | 96.4 | Very high | 126 Ų | 126 | 95 Ų | 95 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 173.7 | -74.8 | 169.7 | -179 | 160.9 | 0 | 112.5 | D83 V90 F91 | D83-K87 VanDerWaalsContact O-CB 3.31Å; D83-K87 WeakPolarHBondContact O-CB 3.41Å; D83-K87 VanDerWaalsContact O-CG 3.28Å; D83-K87 WeakPolarHBondContact O-CG 3.31Å; D83-K87 PolarHBondContact O-N 3.01Å; D83-K87 WeakPolarHBondContact OD1-CE 3.49Å; D83-K87 IonicContact OD1-NZ 3.54Å; D83-K87 PolarHBondContact OD1-NZ 3.12Å; D83-K87 WeakPolarHBondContact OD2-CE 3.28Å; D83-K87 IonicContact OD2-NZ 2.65Å; D83-K87 PolarHBondContact OD2-NZ 3.24Å; K87-V90 PolarHBondContact O-N 2.88Å; K87-F91 VanDerWaalsContact O-CB 3.29Å; K87-F91 WeakPolarHBondContact O-CB 3.5Å; K87-F91 PolarHBondContact O-N 3.41Å |
| 88 | M | 98.2 | Very high | 96.7 | Very high | 87 Ų | 87 | 91 Ų | 91 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 174.2 | -173.1 | 62.9 | 64.3 | 0 | 0 | 111.4 | M84 F85 D86 F91 L92 | M84-M88 VanDerWaalsContact O-CB 3.23Å; M84-M88 WeakPolarHBondContact O-CB 3.47Å; M84-M88 PolarHBondContact O-N 2.7Å; M84-M88 HydrophobicContact SD-CE 4.42Å; F85-M88 PolarHBondContact O-N 2.79Å; D86-M88 VanDerWaalsContact C-N 3.35Å; D86-M88 PolarHBondContact O-N 2.98Å; M88-F91 PolarHBondContact O-N 3.45Å; M88-F91 HydrophobicContact SD-CD1 4.43Å; M88-L92 HydrophobicContact CG-CD1 3.95Å; M88-L92 HydrophobicContact CG-CG 4.43Å; M88-L92 WeakPolarHBondContact O-CB 3.43Å; M88-L92 VanDerWaalsContact O-CG 3.26Å; M88-L92 WeakPolarHBondContact O-CG 3.45Å; M88-L92 PolarHBondContact O-N 2.88Å; M88-L92 HydrophobicContact SD-CD1 4.27Å; M88-L92 HydrophobicContact SD-CG 4.28Å |
| 89 | A | 97.9 | Very high | 97.1 | Very high | 57 Ų | 57 | 89.2 Ų | 89.2 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | F85 D86 Q93 | F85-A89 WeakPolarHBondContact O-CB 3.5Å; F85-A89 PolarHBondContact O-N 3.5Å; D86-A89 PolarHBondContact O-N 2.97Å; A89-Q93 VanDerWaalsContact O-CB 3.29Å; A89-Q93 WeakPolarHBondContact O-CB 2.99Å; A89-Q93 PolarHBondContact O-N 2.96Å |
| 90 | V | 98.1 | Very high | 97.4 | Very high | 110 Ų | 110 | 85.8 Ų | 85.8 | 67% | 0.667 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | D86 K87 Q93 G94 | D86-V90 WeakPolarHBondContact O-CG2 3.25Å; D86-V90 PolarHBondContact O-N 3.31Å; K87-V90 PolarHBondContact O-N 2.88Å; V90-Q93 PolarHBondContact O-N 3.39Å; V90-G94 PolarHBondContact O-N 3.19Å |
| 91 | F | 98.2 | Very high | 97.6 | Very high | 115 Ų | 115 | 87.9 Ų | 87.9 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 176.7 | 173.9 | -105.5 | 0 | 0 | 0 | 111.9 | K87 M88 Q93 G94 E95 | K87-F91 VanDerWaalsContact O-CB 3.29Å; K87-F91 WeakPolarHBondContact O-CB 3.5Å; K87-F91 PolarHBondContact O-N 3.41Å; M88-F91 PolarHBondContact O-N 3.45Å; M88-F91 HydrophobicContact SD-CD1 4.43Å; F91-Q93 VanDerWaalsContact C-N 3.3Å; F91-Q93 PolarHBondContact O-N 3.38Å; F91-G94 WeakPolarHBondContact O-CA 3.42Å; F91-G94 PolarHBondContact O-N 2.92Å; F91-E95 HydrophobicContact CD1-CG 4.39Å; F91-E95 HydrophobicContact CD2-CG 4.16Å; F91-E95 HydrophobicContact CE1-CG 3.89Å; F91-E95 HydrophobicContact CE2-CG 3.63Å; F91-E95 HydrophobicContact CZ-CG 3.47Å; F91-E95 VanDerWaalsContact CZ-CG 3.47Å; F91-E95 WeakPolarHBondContact O-CG 3.48Å; F91-E95 PolarHBondContact O-N 3.01Å |
| 92 | L | 98.2 | Very high | 97.8 | Very high | 103 Ų | 103 | 90.7 Ų | 90.7 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 178.9 | -70.2 | 171.2 | 0 | 0 | 0 | 112.2 | M88 L96 | M88-L92 HydrophobicContact CG-CD1 3.95Å; M88-L92 HydrophobicContact CG-CG 4.43Å; M88-L92 WeakPolarHBondContact O-CB 3.43Å; M88-L92 VanDerWaalsContact O-CG 3.26Å; M88-L92 WeakPolarHBondContact O-CG 3.45Å; M88-L92 PolarHBondContact O-N 2.88Å; M88-L92 HydrophobicContact SD-CD1 4.27Å; M88-L92 HydrophobicContact SD-CG 4.28Å; L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.2Å; L92-L96 PolarHBondContact O-N 3.08Å; L92-L96 VanDerWaalsContact O-N 3.08Å |
| 93 | Q | 98.1 | Very high | 97.9 | Very high | 114 Ų | 114 | 94.4 Ų | 94.4 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 172.7 | -177.3 | 61.2 | 57.9 | 0 | 0 | 111.4 | A89 V90 F91 T97 | A89-Q93 VanDerWaalsContact O-CB 3.29Å; A89-Q93 WeakPolarHBondContact O-CB 2.99Å; A89-Q93 PolarHBondContact O-N 2.96Å; V90-Q93 PolarHBondContact O-N 3.39Å; F91-Q93 VanDerWaalsContact C-N 3.3Å; F91-Q93 PolarHBondContact O-N 3.38Å; Q93-T97 PolarHBondContact NE2-OG1 3.16Å; Q93-T97 VanDerWaalsContact O-CB 3.3Å; Q93-T97 WeakPolarHBondContact O-CB 3.43Å; Q93-T97 PolarHBondContact O-N 2.83Å; Q93-T97 PolarHBondContact O-OG1 3.15Å |
| 94 | G | 98.3 | Very high | 98.1 | Very high | 41 Ų | 41 | 97 Ų | 97 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -55.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V90 F91 L96 T97 G98 | V90-G94 PolarHBondContact O-N 3.19Å; F91-G94 WeakPolarHBondContact O-CA 3.42Å; F91-G94 PolarHBondContact O-N 2.92Å; G94-L96 VanDerWaalsContact C-N 3.33Å; G94-L96 PolarHBondContact O-N 3.2Å; G94-T97 PolarHBondContact O-N 2.81Å; G94-T97 VanDerWaalsContact O-N 3.12Å; G94-G98 PolarHBondContact O-N 3.13Å |
| 95 | E | 97.9 | Very high | 98.2 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58 | -43 | 179 | -65 | -70.9 | 88 | 0 | 0 | 112 | F91 T99 | F91-E95 HydrophobicContact CD1-CG 4.39Å; F91-E95 HydrophobicContact CD2-CG 4.16Å; F91-E95 HydrophobicContact CE1-CG 3.89Å; F91-E95 HydrophobicContact CE2-CG 3.63Å; F91-E95 HydrophobicContact CZ-CG 3.47Å; F91-E95 VanDerWaalsContact CZ-CG 3.47Å; F91-E95 WeakPolarHBondContact O-CG 3.48Å; F91-E95 PolarHBondContact O-N 3.01Å; E95-T99 WeakPolarHBondContact O-CB 3.35Å; E95-T99 PolarHBondContact O-N 2.99Å; E95-T99 PolarHBondContact O-OG1 2.92Å |
| 96 | L | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 95.2 Ų | 95.2 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 176.6 | -178.3 | 60.7 | 0 | 0 | 0 | 112.1 | L92 G94 T99 C100 | L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.2Å; L92-L96 PolarHBondContact O-N 3.08Å; L92-L96 VanDerWaalsContact O-N 3.08Å; G94-L96 VanDerWaalsContact C-N 3.33Å; G94-L96 PolarHBondContact O-N 3.2Å; L96-T99 WeakPolarHBondContact O-CB 3.45Å; L96-T99 PolarHBondContact O-N 2.86Å; L96-C100 PolarHBondContact O-N 3.2Å; L96-C100 PolarHBondContact O-SG 3.32Å; L96-C100 VanDerWaalsContact O-SG 3.38Å |
| 97 | T | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 94.6 Ų | 94.6 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 179.2 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | Q93 G94 T99 C100 E101 | Q93-T97 PolarHBondContact NE2-OG1 3.16Å; Q93-T97 VanDerWaalsContact O-CB 3.3Å; Q93-T97 WeakPolarHBondContact O-CB 3.43Å; Q93-T97 PolarHBondContact O-N 2.83Å; Q93-T97 PolarHBondContact O-OG1 3.15Å; G94-T97 PolarHBondContact O-N 2.81Å; G94-T97 VanDerWaalsContact O-N 3.12Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.32Å; T97-C100 WeakPolarHBondContact O-CB 3.48Å; T97-C100 PolarHBondContact O-N 3.43Å; T97-C100 VanDerWaalsContact O-N 3.1Å; T97-E101 PolarHBondContact O-N 3.35Å |
| 98 | G | 98.3 | Very high | 98.3 | Very high | 31 Ų | 31 | 92.8 Ų | 92.8 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G94 C100 E101 D102 | G94-G98 PolarHBondContact O-N 3.13Å; G98-C100 VanDerWaalsContact C-N 3.31Å; G98-C100 PolarHBondContact O-N 3.44Å; G98-E101 PolarHBondContact O-N 2.95Å; G98-E101 VanDerWaalsContact O-N 3.15Å; G98-D102 PolarHBondContact O-N 3.03Å |
| 99 | T | 98.2 | Very high | 98.3 | Very high | 67 Ų | 67 | 93.8 Ų | 93.8 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 174 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | E95 L96 T97 Y103 | E95-T99 WeakPolarHBondContact O-CB 3.35Å; E95-T99 PolarHBondContact O-N 2.99Å; E95-T99 PolarHBondContact O-OG1 2.92Å; L96-T99 WeakPolarHBondContact O-CB 3.45Å; L96-T99 PolarHBondContact O-N 2.86Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.32Å; T99-Y103 HydrophobicContact CG2-CD2 3.96Å; T99-Y103 HydrophobicContact CG2-CE2 3.69Å; T99-Y103 WeakPolarHBondContact O-CD2 3.31Å; T99-Y103 PolarHBondContact O-N 3.13Å; T99-Y103 VanDerWaalsContact O-N 3.16Å |
| 100 | C | 98.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 95.7 Ų | 95.7 | 43% | 0.426 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -37 | 175.4 | -72.3 | 0 | 0 | 0 | 0 | 113.1 | L96 T97 G98 Y103 H104 | L96-C100 PolarHBondContact O-N 3.2Å; L96-C100 PolarHBondContact O-SG 3.32Å; L96-C100 VanDerWaalsContact O-SG 3.38Å; T97-C100 WeakPolarHBondContact O-CB 3.48Å; T97-C100 PolarHBondContact O-N 3.43Å; T97-C100 VanDerWaalsContact O-N 3.1Å; G98-C100 VanDerWaalsContact C-N 3.31Å; G98-C100 PolarHBondContact O-N 3.44Å; C100-Y103 PolarHBondContact O-N 3.49Å; C100-H104 PolarHBondContact O-CD2 3.34Å; C100-H104 PolarHBondContact O-N 3.13Å |
| 101 | E | 98.6 | Very high | 98.4 | Very high | 130 Ų | 130 | 95.5 Ų | 95.5 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.4 | -42.5 | 176.2 | -71.6 | 178.9 | -166.2 | 0 | 0 | 111.8 | T97 G98 Y103 H104 L105 | T97-E101 PolarHBondContact O-N 3.35Å; G98-E101 PolarHBondContact O-N 2.95Å; G98-E101 VanDerWaalsContact O-N 3.15Å; E101-Y103 PolarHBondContact O-N 3.12Å; E101-H104 PolarHBondContact O-N 3.02Å; E101-L105 PolarHBondContact O-N 2.93Å |
| 102 | D | 98.4 | Very high | 98.4 | Very high | 114 Ų | 114 | 95.7 Ų | 95.7 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -43.6 | 173.1 | -85 | -22.9 | 0 | 0 | 0 | 112.1 | G98 L105 L106 | G98-D102 PolarHBondContact O-N 3.03Å; D102-L105 PolarHBondContact O-N 2.7Å; D102-L106 WeakPolarHBondContact O-CB 2.99Å; D102-L106 PolarHBondContact O-N 3.25Å |
| 103 | Y | 98.7 | Very high | 98.4 | Very high | 161 Ų | 161 | 93.9 Ų | 93.9 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 175.3 | -81.6 | -58.7 | 0 | 0 | 0 | 112.5 | T99 C100 E101 L106 E107 | T99-Y103 HydrophobicContact CG2-CD2 3.96Å; T99-Y103 HydrophobicContact CG2-CE2 3.69Å; T99-Y103 WeakPolarHBondContact O-CD2 3.31Å; T99-Y103 PolarHBondContact O-N 3.13Å; T99-Y103 VanDerWaalsContact O-N 3.16Å; C100-Y103 PolarHBondContact O-N 3.49Å; E101-Y103 PolarHBondContact O-N 3.12Å; Y103-L106 PolarHBondContact O-N 3.37Å; Y103-E107 WeakPolarHBondContact O-CB 3.46Å; Y103-E107 PolarHBondContact O-N 3.32Å |
| 104 | H | 98.5 | Very high | 98.4 | Very high | 118 Ų | 118 | 91.7 Ų | 91.7 | 55% | 0.546 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 173.9 | -84.1 | -50.7 | 0 | 0 | 0 | 112.7 | C100 E101 E107 N108 | C100-H104 PolarHBondContact O-CD2 3.34Å; C100-H104 PolarHBondContact O-N 3.13Å; E101-H104 PolarHBondContact O-N 3.02Å; H104-E107 IonicContact ND1-OE2 2.81Å; H104-N108 WeakPolarHBondContact O-CB 3.21Å; H104-N108 VanDerWaalsContact O-CG 3.31Å; H104-N108 PolarHBondContact O-N 2.77Å; H104-N108 PolarHBondContact O-ND2 3.01Å |
| 105 | L | 98.6 | Very high | 98.4 | Very high | 100 Ų | 100 | 95.1 Ų | 95.1 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 173.5 | 177.4 | 58.7 | 0 | 0 | 0 | 110.8 | E101 D102 E107 N108 M109 | E101-L105 PolarHBondContact O-N 2.93Å; D102-L105 PolarHBondContact O-N 2.7Å; L105-E107 PolarHBondContact O-N 3.23Å; L105-N108 PolarHBondContact O-N 2.98Å; L105-M109 HydrophobicContact CD1-CG 4.16Å; L105-M109 HydrophobicContact CD1-SD 4.27Å; L105-M109 HydrophobicContact CG-SD 4.31Å; L105-M109 WeakPolarHBondContact O-CG 3.49Å; L105-M109 PolarHBondContact O-N 2.98Å |
| 106 | L | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 94 Ų | 94 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.5 | -178.7 | 59.8 | 0 | 0 | 0 | 112.2 | D102 Y103 M109 N110 | D102-L106 WeakPolarHBondContact O-CB 2.99Å; D102-L106 PolarHBondContact O-N 3.25Å; Y103-L106 PolarHBondContact O-N 3.37Å; L106-M109 PolarHBondContact O-N 3.46Å; L106-N110 WeakPolarHBondContact O-CB 3.4Å; L106-N110 VanDerWaalsContact O-CG 3.27Å; L106-N110 PolarHBondContact O-N 3.37Å; L106-N110 PolarHBondContact O-ND2 3.11Å; L106-N110 VanDerWaalsContact O-ND2 3.16Å |
| 107 | E | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 96.8 Ų | 96.8 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.1 | -163 | -150.4 | -178.4 | 0 | 0 | 111.4 | Y103 H104 L105 N110 K111 | Y103-E107 WeakPolarHBondContact O-CB 3.46Å; Y103-E107 PolarHBondContact O-N 3.32Å; H104-E107 IonicContact ND1-OE2 2.81Å; L105-E107 PolarHBondContact O-N 3.23Å; E107-N110 PolarHBondContact O-N 2.96Å; E107-K111 VanDerWaalsContact CD-CE 3.41Å; E107-K111 VanDerWaalsContact O-CG 3.32Å; E107-K111 WeakPolarHBondContact O-CG 3.27Å; E107-K111 PolarHBondContact O-N 2.81Å; E107-K111 WeakPolarHBondContact OE1-CE 3.33Å; E107-K111 IonicContact OE1-NZ 2.7Å; E107-K111 PolarHBondContact OE1-NZ 3.08Å; E107-K111 IonicContact OE2-NZ 2.79Å; E107-K111 PolarHBondContact OE2-NZ 3.25Å |
| 108 | N | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 99.3 Ų | 99.3 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 178.7 | -72.8 | -42 | 0 | 0 | 0 | 112.8 | H104 L105 N110 K111 L112 | H104-N108 WeakPolarHBondContact O-CB 3.21Å; H104-N108 VanDerWaalsContact O-CG 3.31Å; H104-N108 PolarHBondContact O-N 2.77Å; H104-N108 PolarHBondContact O-ND2 3.01Å; L105-N108 PolarHBondContact O-N 2.98Å; N108-N110 VanDerWaalsContact C-N 3.35Å; N108-K111 PolarHBondContact O-N 3.29Å; N108-L112 WeakPolarHBondContact O-CB 3.14Å; N108-L112 PolarHBondContact O-N 3.09Å |
| 109 | M | 98.5 | Very high | 98.5 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 53% | 0.527 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 172.5 | -71.5 | -170.4 | 73.6 | 0 | 0 | 111.9 | L105 L106 L112 T113 | L105-M109 HydrophobicContact CD1-CG 4.16Å; L105-M109 HydrophobicContact CD1-SD 4.27Å; L105-M109 HydrophobicContact CG-SD 4.31Å; L105-M109 WeakPolarHBondContact O-CG 3.49Å; L105-M109 PolarHBondContact O-N 2.98Å; L106-M109 PolarHBondContact O-N 3.46Å; M109-L112 PolarHBondContact O-N 2.86Å; M109-T113 VanDerWaalsContact O-CB 3.26Å; M109-T113 WeakPolarHBondContact O-CB 3.28Å; M109-T113 PolarHBondContact O-N 2.93Å; M109-T113 PolarHBondContact O-OG1 3.24Å |
| 110 | N | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 103.4 Ų | 103.4 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 174.9 | -75.7 | -32 | 0 | 0 | 0 | 112.2 | L106 E107 N108 T113 S114 | L106-N110 WeakPolarHBondContact O-CB 3.4Å; L106-N110 VanDerWaalsContact O-CG 3.27Å; L106-N110 PolarHBondContact O-N 3.37Å; L106-N110 PolarHBondContact O-ND2 3.11Å; L106-N110 VanDerWaalsContact O-ND2 3.16Å; E107-N110 PolarHBondContact O-N 2.96Å; N108-N110 VanDerWaalsContact C-N 3.35Å; N110-T113 PolarHBondContact O-N 3.26Å; N110-S114 WeakPolarHBondContact O-CB 3.35Å; N110-S114 PolarHBondContact O-N 3.03Å |
| 111 | K | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 106.6 Ų | 106.6 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 172.9 | -72.8 | 165.1 | -177.7 | 166.3 | 0 | 111.7 | E107 N108 S114 L115 | E107-K111 VanDerWaalsContact CD-CE 3.41Å; E107-K111 VanDerWaalsContact O-CG 3.32Å; E107-K111 WeakPolarHBondContact O-CG 3.27Å; E107-K111 PolarHBondContact O-N 2.81Å; E107-K111 WeakPolarHBondContact OE1-CE 3.33Å; E107-K111 IonicContact OE1-NZ 2.7Å; E107-K111 PolarHBondContact OE1-NZ 3.08Å; E107-K111 IonicContact OE2-NZ 2.79Å; E107-K111 PolarHBondContact OE2-NZ 3.25Å; N108-K111 PolarHBondContact O-N 3.29Å; K111-S114 PolarHBondContact O-N 3.44Å; K111-L115 PolarHBondContact O-N 3.18Å |
| 112 | L | 98.4 | Very high | 98.6 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 178.1 | -179.9 | 61.4 | 0 | 0 | 0 | 112.2 | N108 M109 L115 K116 | N108-L112 WeakPolarHBondContact O-CB 3.14Å; N108-L112 PolarHBondContact O-N 3.09Å; M109-L112 PolarHBondContact O-N 2.86Å; L112-L115 PolarHBondContact O-N 3.35Å; L112-K116 PolarHBondContact O-N 3.35Å |
| 113 | T | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 103.4 Ų | 103.4 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 177.8 | -60 | 0 | 0 | 0 | 0 | 111.4 | M109 N110 K116 Y117 | M109-T113 VanDerWaalsContact O-CB 3.26Å; M109-T113 WeakPolarHBondContact O-CB 3.28Å; M109-T113 PolarHBondContact O-N 2.93Å; M109-T113 PolarHBondContact O-OG1 3.24Å; N110-T113 PolarHBondContact O-N 3.26Å; T113-K116 PolarHBondContact O-N 2.85Å; T113-Y117 HydrophobicContact CG2-CD2 3.84Å; T113-Y117 HydrophobicContact CG2-CE2 3.61Å; T113-Y117 VanDerWaalsContact O-CD2 3.28Å; T113-Y117 WeakPolarHBondContact O-CD2 3.31Å; T113-Y117 PolarHBondContact O-N 3.03Å |
| 114 | S | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 99.1 Ų | 99.1 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 174 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | N110 K111 K116 Y117 M118 | N110-S114 WeakPolarHBondContact O-CB 3.35Å; N110-S114 PolarHBondContact O-N 3.03Å; K111-S114 PolarHBondContact O-N 3.44Å; S114-K116 VanDerWaalsContact C-N 3.29Å; S114-K116 PolarHBondContact O-N 3.33Å; S114-Y117 PolarHBondContact O-N 3.34Å; S114-Y117 VanDerWaalsContact O-N 3.15Å; S114-M118 PolarHBondContact O-N 2.88Å |
| 115 | L | 98.4 | Very high | 98.6 | Very high | 112 Ų | 112 | 97.1 Ų | 97.1 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.6 | -40.7 | 175.6 | -180 | 62.4 | 0 | 0 | 0 | 112.1 | K111 L112 M118 E119 | K111-L115 PolarHBondContact O-N 3.18Å; L112-L115 PolarHBondContact O-N 3.35Å; L115-M118 WeakPolarHBondContact O-CB 3.43Å; L115-M118 PolarHBondContact O-N 3.46Å; L115-E119 PolarHBondContact O-N 2.86Å |
| 116 | K | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 96.1 Ų | 96.1 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 178.1 | -168 | 49.7 | 164.5 | 178.5 | 0 | 112.7 | L112 T113 S114 E119 M120 | L112-K116 PolarHBondContact O-N 3.35Å; T113-K116 PolarHBondContact O-N 2.85Å; S114-K116 VanDerWaalsContact C-N 3.29Å; S114-K116 PolarHBondContact O-N 3.33Å; K116-E119 HydrophobicContact CD-CB 4.48Å; K116-E119 WeakPolarHBondContact CD-OE2 3.36Å; K116-E119 WeakPolarHBondContact CE-OE2 3.33Å; K116-E119 IonicContact NZ-OE1 3.94Å; K116-E119 PolarHBondContact NZ-OE1 3Å; K116-E119 IonicContact NZ-OE2 2.74Å; K116-E119 PolarHBondContact NZ-OE2 3Å; K116-E119 PolarHBondContact O-N 3.07Å; K116-M120 HydrophobicContact CG-CE 4.19Å; K116-M120 WeakPolarHBondContact O-CG 3.41Å; K116-M120 PolarHBondContact O-N 3.33Å |
| 117 | Y | 98.8 | Very high | 98.5 | Very high | 161 Ų | 161 | 96.7 Ų | 96.7 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.1 | -32.5 | 171.8 | -79.9 | -62.6 | 0 | 0 | 0 | 113 | T113 S114 M120 K121 | T113-Y117 HydrophobicContact CG2-CD2 3.84Å; T113-Y117 HydrophobicContact CG2-CE2 3.61Å; T113-Y117 VanDerWaalsContact O-CD2 3.28Å; T113-Y117 WeakPolarHBondContact O-CD2 3.31Å; T113-Y117 PolarHBondContact O-N 3.03Å; S114-Y117 PolarHBondContact O-N 3.34Å; S114-Y117 VanDerWaalsContact O-N 3.15Å; Y117-M120 HydrophobicContact CD1-SD 4.4Å; Y117-K121 VanDerWaalsContact O-CB 3.3Å; Y117-K121 WeakPolarHBondContact O-CB 3.31Å; Y117-K121 PolarHBondContact O-N 2.94Å |
| 118 | M | 98.5 | Very high | 98.5 | Very high | 106 Ų | 106 | 95.3 Ų | 95.3 | 52% | 0.522 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 170.8 | -68.9 | -177.7 | 66.9 | 0 | 0 | 111.6 | S114 L115 M120 K121 D122 | S114-M118 PolarHBondContact O-N 2.88Å; L115-M118 WeakPolarHBondContact O-CB 3.43Å; L115-M118 PolarHBondContact O-N 3.46Å; M118-M120 PolarHBondContact O-N 3.43Å; M118-K121 WeakPolarHBondContact O-CB 3.45Å; M118-K121 PolarHBondContact O-N 2.99Å; M118-D122 PolarHBondContact O-N 2.95Å |
| 119 | E | 98.4 | Very high | 98.5 | Very high | 91 Ų | 91 | 96.8 Ų | 96.8 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 175.3 | -169.3 | -159.1 | 142 | 0 | 0 | 111.8 | L115 K116 K121 D122 I123 | L115-E119 PolarHBondContact O-N 2.86Å; K116-E119 HydrophobicContact CD-CB 4.48Å; K116-E119 WeakPolarHBondContact CD-OE2 3.36Å; K116-E119 WeakPolarHBondContact CE-OE2 3.33Å; K116-E119 IonicContact NZ-OE1 3.94Å; K116-E119 PolarHBondContact NZ-OE1 3Å; K116-E119 IonicContact NZ-OE2 2.74Å; K116-E119 PolarHBondContact NZ-OE2 3Å; K116-E119 PolarHBondContact O-N 3.07Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.25Å; E119-D122 PolarHBondContact O-N 3.49Å; E119-I123 HydrophobicContact CG-CD1 4.12Å; E119-I123 VanDerWaalsContact O-CG1 3.28Å; E119-I123 WeakPolarHBondContact O-CG1 3.44Å; E119-I123 PolarHBondContact O-N 3.39Å |
| 120 | M | 98.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 95.8 Ų | 95.8 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 176.5 | -73.4 | -177.7 | 177.8 | 0 | 0 | 112.8 | K116 Y117 M118 S124 | K116-M120 HydrophobicContact CG-CE 4.19Å; K116-M120 WeakPolarHBondContact O-CG 3.41Å; K116-M120 PolarHBondContact O-N 3.33Å; Y117-M120 HydrophobicContact CD1-SD 4.4Å; M118-M120 PolarHBondContact O-N 3.43Å; M120-S124 WeakPolarHBondContact O-CB 3.47Å; M120-S124 PolarHBondContact O-N 3.48Å; M120-S124 PolarHBondContact O-OG 3.28Å |
| 121 | K | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 96.8 Ų | 96.8 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -47.2 | 174.6 | 170.5 | -170.3 | 169.7 | -166 | 0 | 110.8 | Y117 M118 E119 S124 I125 | Y117-K121 VanDerWaalsContact O-CB 3.3Å; Y117-K121 WeakPolarHBondContact O-CB 3.31Å; Y117-K121 PolarHBondContact O-N 2.94Å; M118-K121 WeakPolarHBondContact O-CB 3.45Å; M118-K121 PolarHBondContact O-N 2.99Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.25Å; K121-S124 WeakPolarHBondContact O-CB 3.38Å; K121-S124 PolarHBondContact O-N 3Å; K121-S124 VanDerWaalsContact O-N 3.15Å; K121-I125 HydrophobicContact CG-CD1 3.88Å; K121-I125 WeakPolarHBondContact O-CG1 3.47Å; K121-I125 PolarHBondContact O-N 3.21Å |
| 122 | D | 98.5 | Very high | 98.5 | Very high | 94 Ų | 94 | 97.8 Ų | 97.8 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | -177.6 | -68.1 | -18.5 | 0 | 0 | 0 | 112.1 | M118 E119 S124 I125 N126 | M118-D122 PolarHBondContact O-N 2.95Å; E119-D122 PolarHBondContact O-N 3.49Å; D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 PolarHBondContact O-N 3.24Å; D122-I125 PolarHBondContact O-N 3.5Å; D122-N126 WeakPolarHBondContact O-CB 3.31Å; D122-N126 PolarHBondContact O-N 3Å |
| 123 | I | 98.4 | Very high | 98.5 | Very high | 83 Ų | 83 | 96 Ų | 96 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 168.9 | -69.1 | 165.5 | 0 | 0 | 0 | 110.5 | E119 N126 I127 | E119-I123 HydrophobicContact CG-CD1 4.12Å; E119-I123 VanDerWaalsContact O-CG1 3.28Å; E119-I123 WeakPolarHBondContact O-CG1 3.44Å; E119-I123 PolarHBondContact O-N 3.39Å; I123-N126 WeakPolarHBondContact O-CB 3.47Å; I123-N126 PolarHBondContact O-N 3.47Å; I123-I127 HydrophobicContact CG2-CD1 3.86Å; I123-I127 WeakPolarHBondContact O-CG1 3.45Å; I123-I127 PolarHBondContact O-N 2.99Å |
| 124 | S | 98.8 | Very high | 98.5 | Very high | 71 Ų | 71 | 96.9 Ų | 96.9 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | -179.7 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | M120 K121 D122 N126 I127 S128 | M120-S124 WeakPolarHBondContact O-CB 3.47Å; M120-S124 PolarHBondContact O-N 3.48Å; M120-S124 PolarHBondContact O-OG 3.28Å; K121-S124 WeakPolarHBondContact O-CB 3.38Å; K121-S124 PolarHBondContact O-N 3Å; K121-S124 VanDerWaalsContact O-N 3.15Å; D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 PolarHBondContact O-N 3.24Å; S124-N126 VanDerWaalsContact C-N 3.31Å; S124-N126 PolarHBondContact O-N 2.85Å; S124-I127 PolarHBondContact O-N 3.4Å; S124-S128 WeakPolarHBondContact O-CB 3.42Å; S124-S128 PolarHBondContact O-N 2.97Å |
| 125 | I | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 98.9 Ų | 98.9 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 172.6 | -71.1 | 166.3 | 0 | 0 | 0 | 110.3 | K121 D122 S128 R129 | K121-I125 HydrophobicContact CG-CD1 3.88Å; K121-I125 WeakPolarHBondContact O-CG1 3.47Å; K121-I125 PolarHBondContact O-N 3.21Å; D122-I125 PolarHBondContact O-N 3.5Å; I125-S128 PolarHBondContact O-N 3.15Å; I125-R129 PolarHBondContact O-N 2.81Å |
| 126 | N | 98.3 | Very high | 98.4 | Very high | 79 Ų | 79 | 100 Ų | 100 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 178.2 | -163.1 | 36.2 | 0 | 0 | 0 | 112.4 | D122 I123 S124 S128 R129 N130 | D122-N126 WeakPolarHBondContact O-CB 3.31Å; D122-N126 PolarHBondContact O-N 3Å; I123-N126 WeakPolarHBondContact O-CB 3.47Å; I123-N126 PolarHBondContact O-N 3.47Å; S124-N126 VanDerWaalsContact C-N 3.31Å; S124-N126 PolarHBondContact O-N 2.85Å; N126-S128 VanDerWaalsContact C-N 3.35Å; N126-S128 PolarHBondContact O-N 3.49Å; N126-R129 PolarHBondContact O-N 3.39Å; N126-R129 PolarHBondContact OD1-NH1 3.41Å; N126-N130 PolarHBondContact O-N 2.92Å; N126-N130 PolarHBondContact O-ND2 2.71Å |
| 127 | I | 98.6 | Very high | 98.3 | Very high | 104 Ų | 104 | 102 Ų | 102 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174 | -67.6 | 166.1 | 0 | 0 | 0 | 110.7 | I123 S124 R129 N130 L131 | I123-I127 HydrophobicContact CG2-CD1 3.86Å; I123-I127 WeakPolarHBondContact O-CG1 3.45Å; I123-I127 PolarHBondContact O-N 2.99Å; S124-I127 PolarHBondContact O-N 3.4Å; I127-R129 PolarHBondContact O-N 3.45Å; I127-N130 PolarHBondContact O-N 3.17Å; I127-L131 WeakPolarHBondContact O-CB 3.45Å; I127-L131 PolarHBondContact O-N 2.99Å |
| 128 | S | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 102 Ų | 102 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | S124 I125 N126 L131 Q132 | S124-S128 WeakPolarHBondContact O-CB 3.42Å; S124-S128 PolarHBondContact O-N 2.97Å; I125-S128 PolarHBondContact O-N 3.15Å; N126-S128 VanDerWaalsContact C-N 3.35Å; N126-S128 PolarHBondContact O-N 3.49Å; S128-L131 PolarHBondContact O-N 3.01Å; S128-Q132 WeakPolarHBondContact O-CG 3.41Å; S128-Q132 PolarHBondContact O-N 3.25Å |
| 129 | R | 98.5 | Very high | 98.2 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 175 | -172.8 | -174.1 | -59.6 | 106.9 | 1.2 | 111.9 | I125 N126 I127 L131 Q132 D133 | I125-R129 PolarHBondContact O-N 2.81Å; N126-R129 PolarHBondContact O-N 3.39Å; N126-R129 PolarHBondContact OD1-NH1 3.41Å; I127-R129 PolarHBondContact O-N 3.45Å; R129-L131 PolarHBondContact O-N 3.32Å; R129-Q132 WeakPolarHBondContact O-CB 3.31Å; R129-Q132 PolarHBondContact O-N 3.45Å; R129-D133 PolarHBondContact O-N 2.96Å |
| 130 | N | 98.3 | Very high | 98.1 | Very high | 87 Ų | 87 | 98.1 Ų | 98.1 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 179.5 | -68.1 | -23.1 | 0 | 0 | 0 | 112.3 | N126 I127 L134 | N126-N130 PolarHBondContact O-N 2.92Å; N126-N130 PolarHBondContact O-ND2 2.71Å; I127-N130 PolarHBondContact O-N 3.17Å; N130-L134 VanDerWaalsContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CB 3.42Å; N130-L134 PolarHBondContact O-N 2.93Å |
| 131 | L | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 98 Ų | 98 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.7 | -39.5 | 175.1 | -174.5 | 64.7 | 0 | 0 | 0 | 112.3 | I127 S128 R129 L134 N135 | I127-L131 WeakPolarHBondContact O-CB 3.45Å; I127-L131 PolarHBondContact O-N 2.99Å; S128-L131 PolarHBondContact O-N 3.01Å; R129-L131 PolarHBondContact O-N 3.32Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-N135 WeakPolarHBondContact O-CB 3.47Å; L131-N135 PolarHBondContact O-N 3.41Å |
| 132 | Q | 98.3 | Very high | 98 | Very high | 129 Ų | 129 | 96.5 Ų | 96.5 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -46 | 173.5 | -72.7 | 176.7 | -9.7 | 0 | 0 | 111.6 | S128 R129 L134 N135 H136 | S128-Q132 WeakPolarHBondContact O-CG 3.41Å; S128-Q132 PolarHBondContact O-N 3.25Å; R129-Q132 WeakPolarHBondContact O-CB 3.31Å; R129-Q132 PolarHBondContact O-N 3.45Å; Q132-L134 VanDerWaalsContact C-N 3.32Å; Q132-L134 PolarHBondContact O-N 2.65Å; Q132-N135 PolarHBondContact O-N 3Å; Q132-H136 WeakPolarHBondContact O-CB 3.35Å; Q132-H136 PolarHBondContact O-N 2.71Å |
| 133 | D | 98.1 | Very high | 97.9 | Very high | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 177.2 | -70.4 | -22 | 0 | 0 | 0 | 111.9 | R129 K137 | R129-D133 PolarHBondContact O-N 2.96Å; D133-K137 VanDerWaalsContact O-CG 3.31Å; D133-K137 WeakPolarHBondContact O-CG 3.48Å; D133-K137 PolarHBondContact O-N 3.43Å; D133-K137 VanDerWaalsContact O-N 3.08Å |
| 134 | L | 98.2 | Very high | 97.9 | Very high | 84 Ų | 84 | 97.8 Ų | 97.8 | 44% | 0.44 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 175.4 | -179.2 | 60.1 | 0 | 0 | 0 | 111.7 | N130 L131 Q132 H136 K137 Y138 | N130-L134 VanDerWaalsContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CB 3.42Å; N130-L134 PolarHBondContact O-N 2.93Å; L131-L134 PolarHBondContact O-N 2.99Å; Q132-L134 VanDerWaalsContact C-N 3.32Å; Q132-L134 PolarHBondContact O-N 2.65Å; L134-H136 VanDerWaalsContact C-N 3.33Å; L134-H136 PolarHBondContact O-N 2.79Å; L134-K137 WeakPolarHBondContact O-CB 3.28Å; L134-K137 PolarHBondContact O-N 3.04Å; L134-Y138 HydrophobicContact CD1-CD2 4.16Å; L134-Y138 HydrophobicContact CD1-CE2 3.73Å; L134-Y138 HydrophobicContact CD2-CE2 4.33Å; L134-Y138 HydrophobicContact CG-CD2 4.07Å; L134-Y138 HydrophobicContact CG-CE2 3.78Å; L134-Y138 VanDerWaalsContact O-CD2 3.28Å; L134-Y138 WeakPolarHBondContact O-CD2 3.49Å; L134-Y138 PolarHBondContact O-N 2.89Å |
| 135 | N | 97.9 | Very high | 97.9 | Very high | 111 Ų | 111 | 98.1 Ų | 98.1 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 176.3 | -170.8 | 27.3 | 0 | 0 | 0 | 111.7 | L131 Q132 K137 Y138 A139 | L131-N135 WeakPolarHBondContact O-CB 3.47Å; L131-N135 PolarHBondContact O-N 3.41Å; Q132-N135 PolarHBondContact O-N 3Å; N135-K137 VanDerWaalsContact C-N 3.33Å; N135-K137 PolarHBondContact O-N 3.41Å; N135-Y138 PolarHBondContact O-N 3.47Å; N135-A139 PolarHBondContact O-N 3.38Å |
| 136 | H | 97.8 | Very high | 97.9 | Very high | 136 Ų | 136 | 98.2 Ų | 98.2 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 174 | -174.8 | 69.3 | 0 | 0 | 0 | 112 | Q132 L134 A139 S140 | Q132-H136 WeakPolarHBondContact O-CB 3.35Å; Q132-H136 PolarHBondContact O-N 2.71Å; L134-H136 VanDerWaalsContact C-N 3.33Å; L134-H136 PolarHBondContact O-N 2.79Å; H136-A139 PolarHBondContact O-N 3.15Å; H136-S140 WeakPolarHBondContact O-CB 3.34Å; H136-S140 PolarHBondContact O-N 2.99Å |
| 137 | K | 97.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 99.1 Ų | 99.1 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 173.6 | -71.5 | 167.5 | -168.6 | 174 | 0 | 112.1 | D133 L134 N135 S140 L141 | D133-K137 VanDerWaalsContact O-CG 3.31Å; D133-K137 WeakPolarHBondContact O-CG 3.48Å; D133-K137 PolarHBondContact O-N 3.43Å; D133-K137 VanDerWaalsContact O-N 3.08Å; L134-K137 WeakPolarHBondContact O-CB 3.28Å; L134-K137 PolarHBondContact O-N 3.04Å; N135-K137 VanDerWaalsContact C-N 3.33Å; N135-K137 PolarHBondContact O-N 3.41Å; K137-S140 WeakPolarHBondContact CA-OG 3.44Å; K137-S140 PolarHBondContact O-N 3.33Å; K137-S140 PolarHBondContact O-OG 2.92Å; K137-L141 PolarHBondContact O-N 3.4Å |
| 138 | Y | 97.4 | Very high | 97.8 | Very high | 160 Ų | 160 | 99 Ų | 99 | 63% | 0.627 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -47.4 | 173.2 | -81 | -69.1 | 0 | 0 | 0 | 112.1 | L134 N135 S140 L141 | L134-Y138 HydrophobicContact CD1-CD2 4.16Å; L134-Y138 HydrophobicContact CD1-CE2 3.73Å; L134-Y138 HydrophobicContact CD2-CE2 4.33Å; L134-Y138 HydrophobicContact CG-CD2 4.07Å; L134-Y138 HydrophobicContact CG-CE2 3.78Å; L134-Y138 VanDerWaalsContact O-CD2 3.28Å; L134-Y138 WeakPolarHBondContact O-CD2 3.49Å; L134-Y138 PolarHBondContact O-N 2.89Å; N135-Y138 PolarHBondContact O-N 3.47Å; Y138-S140 VanDerWaalsContact C-N 3.28Å; Y138-S140 PolarHBondContact O-N 3.23Å; Y138-L141 WeakPolarHBondContact O-CB 3.37Å; Y138-L141 PolarHBondContact O-N 2.98Å; Y138-L141 VanDerWaalsContact O-N 3.11Å |
| 139 | A | 97.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 100.5 Ų | 100.5 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N135 H136 L141 Q142 | N135-A139 PolarHBondContact O-N 3.38Å; H136-A139 PolarHBondContact O-N 3.15Å; A139-L141 PolarHBondContact O-N 3.05Å; A139-Q142 WeakPolarHBondContact O-CB 3.36Å; A139-Q142 PolarHBondContact O-N 2.94Å |
| 140 | S | 97.1 | Very high | 97.8 | Very high | 54 Ų | 54 | 100.1 Ų | 100.1 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.8 | -17 | 176.9 | 79.5 | 0 | 0 | 0 | 0 | 114.3 | H136 K137 Y138 P143 Y144 | H136-S140 WeakPolarHBondContact O-CB 3.34Å; H136-S140 PolarHBondContact O-N 2.99Å; K137-S140 WeakPolarHBondContact CA-OG 3.44Å; K137-S140 PolarHBondContact O-N 3.33Å; K137-S140 PolarHBondContact O-OG 2.92Å; Y138-S140 VanDerWaalsContact C-N 3.28Å; Y138-S140 PolarHBondContact O-N 3.23Å; S140-P143 WeakPolarHBondContact O-CD 3.49Å; S140-P143 WeakPolarHBondContact O-CG 3.47Å; S140-Y144 WeakPolarHBondContact O-CD2 3.4Å; S140-Y144 WeakPolarHBondContact O-CE2 3.3Å |
| 141 | L | 97.2 | Very high | 97.8 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -78.9 | -31.2 | 176.8 | -173.5 | 60.6 | 0 | 0 | 0 | 112.4 | K137 Y138 A139 Y144 L145 | K137-L141 PolarHBondContact O-N 3.4Å; Y138-L141 WeakPolarHBondContact O-CB 3.37Å; Y138-L141 PolarHBondContact O-N 2.98Å; Y138-L141 VanDerWaalsContact O-N 3.11Å; A139-L141 PolarHBondContact O-N 3.05Å; L141-Y144 WeakPolarHBondContact O-CB 3.28Å; L141-Y144 PolarHBondContact O-N 2.86Å; L141-L145 HydrophobicContact CG-CG 4.46Å; L141-L145 PolarHBondContact O-N 3.34Å |
| 142 | Q | 96.5 | Very high | 97.8 | Very high | 99 Ų | 99 | 101.1 Ų | 101.1 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -48.6 | -52 | -178.9 | -172.4 | 61.6 | 46.1 | 0 | 0 | 114.1 | A139 Y144 L145 D146 | A139-Q142 WeakPolarHBondContact O-CB 3.36Å; A139-Q142 PolarHBondContact O-N 2.94Å; Q142-Y144 PolarHBondContact O-N 3.22Å; Q142-Y144 VanDerWaalsContact O-N 3.09Å; Q142-L145 WeakPolarHBondContact O-CB 3.33Å; Q142-L145 PolarHBondContact O-N 3.44Å; Q142-D146 PolarHBondContact NE2-OD1 2.93Å; Q142-D146 VanDerWaalsContact O-CG 3.29Å; Q142-D146 PolarHBondContact O-N 3.16Å |
| 143 | P | 97.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 101.7 Ų | 101.7 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -20.2 | -179.5 | 24.6 | -36.3 | 0 | 0 | 0 | 114.2 | S140 Q147 | S140-P143 WeakPolarHBondContact O-CD 3.49Å; S140-P143 WeakPolarHBondContact O-CG 3.47Å; P143-Q147 VanDerWaalsContact O-CG 3.28Å; P143-Q147 WeakPolarHBondContact O-CG 3.16Å; P143-Q147 PolarHBondContact O-N 3.44Å; P143-Q147 VanDerWaalsContact O-N 3.15Å; P143-Q147 PolarHBondContact O-NE2 3.44Å |
| 144 | Y | 98 | Very high | 97.9 | Very high | 142 Ų | 142 | 103.4 Ų | 103.4 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -79.7 | -34.5 | 172.7 | -61.3 | -79.5 | 0 | 0 | 0 | 112 | S140 L141 Q142 Q147 I148 | S140-Y144 WeakPolarHBondContact O-CD2 3.4Å; S140-Y144 WeakPolarHBondContact O-CE2 3.3Å; L141-Y144 WeakPolarHBondContact O-CB 3.28Å; L141-Y144 PolarHBondContact O-N 2.86Å; Q142-Y144 PolarHBondContact O-N 3.22Å; Q142-Y144 VanDerWaalsContact O-N 3.09Å; Y144-Q147 PolarHBondContact O-N 2.72Å; Y144-I148 VanDerWaalsContact O-CG1 3.31Å; Y144-I148 WeakPolarHBondContact O-CG1 3.49Å; Y144-I148 PolarHBondContact O-N 3.32Å |
| 145 | L | 97.9 | Very high | 97.9 | Very high | 77 Ų | 77 | 103.4 Ų | 103.4 | 40% | 0.403 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 170.9 | -59.1 | 176.5 | 0 | 0 | 0 | 110.5 | L141 Q142 Q147 I148 N149 | L141-L145 HydrophobicContact CG-CG 4.46Å; L141-L145 PolarHBondContact O-N 3.34Å; Q142-L145 WeakPolarHBondContact O-CB 3.33Å; Q142-L145 PolarHBondContact O-N 3.44Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 2.89Å; L145-I148 PolarHBondContact O-N 2.88Å; L145-I148 VanDerWaalsContact O-N 3.13Å; L145-N149 PolarHBondContact O-N 3.2Å; L145-N149 PolarHBondContact O-ND2 2.9Å |
| 146 | D | 98 | Very high | 97.9 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.5 | -57.5 | -30.2 | 0 | 0 | 0 | 111.9 | Q142 N149 Q150 | Q142-D146 PolarHBondContact NE2-OD1 2.93Å; Q142-D146 VanDerWaalsContact O-CG 3.29Å; Q142-D146 PolarHBondContact O-N 3.16Å; D146-N149 PolarHBondContact O-N 3.45Å; D146-Q150 PolarHBondContact O-N 3.46Å |
| 147 | Q | 98.4 | Very high | 97.9 | Very high | 98 Ų | 98 | 97.9 Ų | 97.9 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 171.5 | -80.2 | 166.1 | 80.3 | 0 | 0 | 112.7 | P143 Y144 L145 Q150 I151 | P143-Q147 VanDerWaalsContact O-CG 3.28Å; P143-Q147 WeakPolarHBondContact O-CG 3.16Å; P143-Q147 PolarHBondContact O-N 3.44Å; P143-Q147 VanDerWaalsContact O-N 3.15Å; P143-Q147 PolarHBondContact O-NE2 3.44Å; Y144-Q147 PolarHBondContact O-N 2.72Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 2.89Å; Q147-Q150 PolarHBondContact O-N 3.43Å; Q147-I151 VanDerWaalsContact O-CG1 3.31Å; Q147-I151 WeakPolarHBondContact O-CG1 3.1Å; Q147-I151 PolarHBondContact O-N 3.03Å |
| 148 | I | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 97.4 Ų | 97.4 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.4 | -70.3 | 163.7 | 0 | 0 | 0 | 110.3 | Y144 L145 Q150 I151 E152 | Y144-I148 VanDerWaalsContact O-CG1 3.31Å; Y144-I148 WeakPolarHBondContact O-CG1 3.49Å; Y144-I148 PolarHBondContact O-N 3.32Å; L145-I148 PolarHBondContact O-N 2.88Å; L145-I148 VanDerWaalsContact O-N 3.13Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.16Å; I148-I151 PolarHBondContact O-N 2.97Å; I148-I151 VanDerWaalsContact O-N 3.13Å; I148-E152 PolarHBondContact O-N 3.12Å |
| 149 | N | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 96.5 Ų | 96.5 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 176.1 | -60.5 | -25.9 | 0 | 0 | 0 | 111.6 | L145 D146 E152 E153 | L145-N149 PolarHBondContact O-N 3.2Å; L145-N149 PolarHBondContact O-ND2 2.9Å; D146-N149 PolarHBondContact O-N 3.45Å; N149-E152 PolarHBondContact O-N 2.93Å; N149-E153 PolarHBondContact O-N 3.38Å; N149-E153 VanDerWaalsContact O-N 3.13Å |
| 150 | Q | 98.4 | Very high | 98.1 | Very high | 111 Ų | 111 | 98.9 Ų | 98.9 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 176.5 | -169.2 | 179.8 | 37.8 | 0 | 0 | 112.5 | D146 Q147 I148 Q154 | D146-Q150 PolarHBondContact O-N 3.46Å; Q147-Q150 PolarHBondContact O-N 3.43Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.16Å; Q150-Q154 VanDerWaalsContact O-CG 3.31Å; Q150-Q154 WeakPolarHBondContact O-CG 3.37Å; Q150-Q154 PolarHBondContact O-N 2.92Å; Q150-Q154 VanDerWaalsContact O-N 3.12Å |
| 151 | I | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 98.4 Ų | 98.4 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 175.4 | -69 | 164 | 0 | 0 | 0 | 110.5 | Q147 I148 E153 Q154 V155 | Q147-I151 VanDerWaalsContact O-CG1 3.31Å; Q147-I151 WeakPolarHBondContact O-CG1 3.1Å; Q147-I151 PolarHBondContact O-N 3.03Å; I148-I151 PolarHBondContact O-N 2.97Å; I148-I151 VanDerWaalsContact O-N 3.13Å; I151-E153 PolarHBondContact O-N 3Å; I151-Q154 PolarHBondContact O-N 2.6Å; I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.33Å; I151-V155 PolarHBondContact O-N 2.95Å |
| 152 | E | 98.4 | Very high | 98.1 | Very high | 126 Ų | 126 | 96.8 Ų | 96.8 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 175.5 | -174.3 | 176.8 | -169.6 | 0 | 0 | 112.2 | I148 N149 V155 S156 | I148-E152 PolarHBondContact O-N 3.12Å; N149-E152 PolarHBondContact O-N 2.93Å; E152-V155 PolarHBondContact O-N 3.36Å; E152-S156 WeakPolarHBondContact O-CB 3.28Å; E152-S156 PolarHBondContact O-N 2.93Å; E152-S156 PolarHBondContact O-OG 3.48Å |
| 153 | E | 98.3 | Very high | 98.2 | Very high | 142 Ų | 142 | 100 Ų | 100 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 174 | -173.6 | -179.9 | -156.3 | 0 | 0 | 111.9 | N149 I151 S156 S157 | N149-E153 PolarHBondContact O-N 3.38Å; N149-E153 VanDerWaalsContact O-N 3.13Å; I151-E153 PolarHBondContact O-N 3Å; E153-S156 PolarHBondContact O-N 2.94Å; E153-S157 WeakPolarHBondContact O-CB 3.32Å; E153-S157 PolarHBondContact O-N 2.95Å |
| 154 | Q | 98.4 | Very high | 98.2 | Very high | 115 Ų | 115 | 102.1 Ų | 102.1 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 177.9 | -72.6 | 175.2 | 22.3 | 0 | 0 | 112.5 | Q150 I151 S157 L158 | Q150-Q154 VanDerWaalsContact O-CG 3.31Å; Q150-Q154 WeakPolarHBondContact O-CG 3.37Å; Q150-Q154 PolarHBondContact O-N 2.92Å; Q150-Q154 VanDerWaalsContact O-N 3.12Å; I151-Q154 PolarHBondContact O-N 2.6Å; Q154-S157 PolarHBondContact O-N 3.41Å; Q154-L158 WeakPolarHBondContact O-CB 3.44Å; Q154-L158 PolarHBondContact O-N 3.15Å |
| 155 | V | 98.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 100.9 Ų | 100.9 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | I151 E152 S157 L158 E159 | I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.33Å; I151-V155 PolarHBondContact O-N 2.95Å; E152-V155 PolarHBondContact O-N 3.36Å; V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 3.1Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 3.41Å; V155-E159 PolarHBondContact O-N 2.99Å |
| 156 | S | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 100.3 Ų | 100.3 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | E152 E153 Q160 | E152-S156 WeakPolarHBondContact O-CB 3.28Å; E152-S156 PolarHBondContact O-N 2.93Å; E152-S156 PolarHBondContact O-OG 3.48Å; E153-S156 PolarHBondContact O-N 2.94Å; S156-Q160 WeakPolarHBondContact O-CG 3.26Å; S156-Q160 PolarHBondContact O-N 3.37Å; S156-Q160 VanDerWaalsContact O-N 3.16Å |
| 157 | S | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 98.4 Ų | 98.4 | 54% | 0.538 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | E153 Q154 V155 Q160 A161 | E153-S157 WeakPolarHBondContact O-CB 3.32Å; E153-S157 PolarHBondContact O-N 2.95Å; Q154-S157 PolarHBondContact O-N 3.41Å; V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 3.1Å; S157-Q160 PolarHBondContact O-N 3.04Å; S157-A161 PolarHBondContact O-N 3.37Å |
| 158 | L | 98.4 | Very high | 98.1 | Very high | 123 Ų | 123 | 101.3 Ų | 101.3 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 176.8 | -178.1 | 61.7 | 0 | 0 | 0 | 112.2 | Q154 V155 A161 A162 | Q154-L158 WeakPolarHBondContact O-CB 3.44Å; Q154-L158 PolarHBondContact O-N 3.15Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 3.41Å; L158-A161 WeakPolarHBondContact O-CB 3.45Å; L158-A161 PolarHBondContact O-N 2.91Å; L158-A162 PolarHBondContact O-N 2.94Å |
| 159 | E | 98 | Very high | 98.1 | Very high | 141 Ų | 141 | 100 Ų | 100 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -46.8 | 174.2 | -173.8 | -177.6 | 179.9 | 0 | 0 | 111 | V155 A161 A162 Y163 | V155-E159 PolarHBondContact O-N 2.99Å; E159-A161 VanDerWaalsContact C-N 3.27Å; E159-A161 PolarHBondContact O-N 2.74Å; E159-A162 PolarHBondContact O-N 3.28Å; E159-Y163 WeakPolarHBondContact O-CB 3.41Å; E159-Y163 PolarHBondContact O-N 2.88Å |
| 160 | Q | 98.2 | Very high | 98 | Very high | 112 Ų | 112 | 101.3 Ų | 101.3 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 175.3 | -72.1 | -176.3 | 38.4 | 0 | 0 | 112.7 | S156 S157 K164 | S156-Q160 WeakPolarHBondContact O-CG 3.26Å; S156-Q160 PolarHBondContact O-N 3.37Å; S156-Q160 VanDerWaalsContact O-N 3.16Å; S157-Q160 PolarHBondContact O-N 3.04Å; Q160-K164 WeakPolarHBondContact O-CB 3.39Å; Q160-K164 WeakPolarHBondContact O-CD 3.37Å; Q160-K164 WeakPolarHBondContact O-CG 3.34Å; Q160-K164 PolarHBondContact O-N 3.41Å; Q160-K164 VanDerWaalsContact O-N 3.08Å |
| 161 | A | 97.9 | Very high | 97.9 | Very high | 45 Ų | 45 | 102.1 Ų | 102.1 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S157 L158 E159 K164 L165 | S157-A161 PolarHBondContact O-N 3.37Å; L158-A161 WeakPolarHBondContact O-CB 3.45Å; L158-A161 PolarHBondContact O-N 2.91Å; E159-A161 VanDerWaalsContact C-N 3.27Å; E159-A161 PolarHBondContact O-N 2.74Å; A161-K164 PolarHBondContact O-N 3.08Å; A161-L165 WeakPolarHBondContact O-CG 3.3Å; A161-L165 PolarHBondContact O-N 2.95Å |
| 162 | A | 98.3 | Very high | 97.8 | Very high | 56 Ų | 56 | 103.4 Ų | 103.4 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L158 E159 K164 L165 D166 | L158-A162 PolarHBondContact O-N 2.94Å; E159-A162 PolarHBondContact O-N 3.28Å; A162-K164 VanDerWaalsContact C-N 3.34Å; A162-K164 PolarHBondContact O-N 2.94Å; A162-L165 PolarHBondContact O-N 3.48Å; A162-D166 PolarHBondContact O-N 2.87Å |
| 163 | Y | 98.2 | Very high | 97.6 | Very high | 166 Ų | 166 | 102.1 Ų | 102.1 | 65% | 0.651 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -39.6 | 176.4 | -177.2 | -94.5 | 0 | 0 | 0 | 112.6 | E159 T167 | E159-Y163 WeakPolarHBondContact O-CB 3.41Å; E159-Y163 PolarHBondContact O-N 2.88Å; Y163-T167 VanDerWaalsContact O-CB 3.27Å; Y163-T167 WeakPolarHBondContact O-CB 3.38Å; Y163-T167 PolarHBondContact O-N 3.08Å; Y163-T167 PolarHBondContact O-OG1 3.03Å |
| 164 | K | 97.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 173.3 | -72.1 | 159.8 | -165.1 | 161.6 | 0 | 110.6 | Q160 A161 A162 T167 Y168 | Q160-K164 WeakPolarHBondContact O-CB 3.39Å; Q160-K164 WeakPolarHBondContact O-CD 3.37Å; Q160-K164 WeakPolarHBondContact O-CG 3.34Å; Q160-K164 PolarHBondContact O-N 3.41Å; Q160-K164 VanDerWaalsContact O-N 3.08Å; A161-K164 PolarHBondContact O-N 3.08Å; A162-K164 VanDerWaalsContact C-N 3.34Å; A162-K164 PolarHBondContact O-N 2.94Å; K164-T167 WeakPolarHBondContact O-CB 3.13Å; K164-T167 PolarHBondContact O-N 3.3Å; K164-Y168 HydrophobicContact CB-CE2 4.36Å; K164-Y168 WeakPolarHBondContact O-CD2 3.39Å; K164-Y168 PolarHBondContact O-N 3.38Å |
| 165 | L | 97.8 | Very high | 97.3 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -48.6 | 178.2 | -74.1 | 169.8 | 0 | 0 | 0 | 112.9 | A161 A162 T167 Y168 S169 | A161-L165 WeakPolarHBondContact O-CG 3.3Å; A161-L165 PolarHBondContact O-N 2.95Å; A162-L165 PolarHBondContact O-N 3.48Å; L165-T167 VanDerWaalsContact C-N 3.3Å; L165-T167 PolarHBondContact O-N 3.47Å; L165-Y168 PolarHBondContact O-N 2.9Å; L165-Y168 VanDerWaalsContact O-N 3.12Å; L165-S169 PolarHBondContact O-N 3.32Å; L165-S169 PolarHBondContact O-OG 3.08Å |
| 166 | D | 97.6 | Very high | 97.1 | Very high | 65 Ų | 65 | 101.5 Ų | 101.5 | 35% | 0.348 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.2 | -45.6 | 173.6 | 169.6 | 75.6 | 0 | 0 | 0 | 111.8 | A162 Y168 S169 K170 | A162-D166 PolarHBondContact O-N 2.87Å; D166-Y168 VanDerWaalsContact C-N 3.33Å; D166-Y168 PolarHBondContact O-N 2.87Å; D166-S169 PolarHBondContact O-N 2.91Å; D166-K170 WeakPolarHBondContact O-CB 3.5Å; D166-K170 WeakPolarHBondContact O-CG 3.24Å; D166-K170 PolarHBondContact O-N 2.74Å; D166-K170 WeakPolarHBondContact OD1-CE 3.29Å; D166-K170 IonicContact OD1-NZ 2.79Å; D166-K170 PolarHBondContact OD1-NZ 3.15Å; D166-K170 WeakPolarHBondContact OD2-CD 3.46Å; D166-K170 WeakPolarHBondContact OD2-CE 3.36Å; D166-K170 IonicContact OD2-NZ 2.71Å; D166-K170 PolarHBondContact OD2-NZ 2.87Å |
| 167 | T | 97.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 104 Ų | 104 | 23% | 0.227 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -60.5 | -39 | 176.3 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | Y163 K164 L165 K171 | Y163-T167 VanDerWaalsContact O-CB 3.27Å; Y163-T167 WeakPolarHBondContact O-CB 3.38Å; Y163-T167 PolarHBondContact O-N 3.08Å; Y163-T167 PolarHBondContact O-OG1 3.03Å; K164-T167 WeakPolarHBondContact O-CB 3.13Å; K164-T167 PolarHBondContact O-N 3.3Å; L165-T167 VanDerWaalsContact C-N 3.3Å; L165-T167 PolarHBondContact O-N 3.47Å; T167-K171 HydrophobicContact CG2-CD 4.12Å; T167-K171 VanDerWaalsContact CG2-NZ 3.32Å; T167-K171 WeakPolarHBondContact O-CB 3.29Å; T167-K171 WeakPolarHBondContact O-CD 3.26Å; T167-K171 WeakPolarHBondContact O-CG 3.46Å; T167-K171 PolarHBondContact O-N 3.47Å |
| 168 | Y | 97.3 | Very high | 96.6 | Very high | 159 Ų | 159 | 107.7 Ų | 107.7 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.8 | -44.5 | 175.2 | -73.4 | -62.7 | 0 | 0 | 0 | 111.9 | K164 L165 D166 K170 K171 L172 | K164-Y168 HydrophobicContact CB-CE2 4.36Å; K164-Y168 WeakPolarHBondContact O-CD2 3.39Å; K164-Y168 PolarHBondContact O-N 3.38Å; L165-Y168 PolarHBondContact O-N 2.9Å; L165-Y168 VanDerWaalsContact O-N 3.12Å; D166-Y168 VanDerWaalsContact C-N 3.33Å; D166-Y168 PolarHBondContact O-N 2.87Å; Y168-K170 PolarHBondContact O-N 2.95Å; Y168-K171 PolarHBondContact O-N 2.99Å; Y168-L172 WeakPolarHBondContact O-CB 3.23Å; Y168-L172 PolarHBondContact O-N 3.22Å |
| 169 | S | 97.5 | Very high | 96.4 | Very high | 75 Ų | 75 | 107.8 Ų | 107.8 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 177.9 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | L165 D166 K171 L172 E173 | L165-S169 PolarHBondContact O-N 3.32Å; L165-S169 PolarHBondContact O-OG 3.08Å; D166-S169 PolarHBondContact O-N 2.91Å; S169-K171 VanDerWaalsContact C-N 3.32Å; S169-K171 PolarHBondContact O-N 3.01Å; S169-L172 PolarHBondContact O-N 2.69Å; S169-L172 VanDerWaalsContact O-N 3.15Å; S169-E173 WeakPolarHBondContact O-CB 3.46Å; S169-E173 PolarHBondContact O-N 2.95Å |
| 170 | K | 97.1 | Very high | 95.9 | Very high | 117 Ų | 117 | 107.4 Ų | 107.4 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 176.2 | -74.1 | 168.8 | 176.4 | 159 | 0 | 112.5 | D166 Y168 A174 | D166-K170 WeakPolarHBondContact O-CB 3.5Å; D166-K170 WeakPolarHBondContact O-CG 3.24Å; D166-K170 PolarHBondContact O-N 2.74Å; D166-K170 WeakPolarHBondContact OD1-CE 3.29Å; D166-K170 IonicContact OD1-NZ 2.79Å; D166-K170 PolarHBondContact OD1-NZ 3.15Å; D166-K170 WeakPolarHBondContact OD2-CD 3.46Å; D166-K170 WeakPolarHBondContact OD2-CE 3.36Å; D166-K170 IonicContact OD2-NZ 2.71Å; D166-K170 PolarHBondContact OD2-NZ 2.87Å; Y168-K170 PolarHBondContact O-N 2.95Å; K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.41Å |
| 171 | K | 96.2 | Very high | 95.1 | Very high | 128 Ų | 128 | 110.4 Ų | 110.4 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -38.3 | 175.1 | -76 | 168.9 | -176.2 | 171.3 | 0 | 112.3 | T167 Y168 S169 K175 | T167-K171 HydrophobicContact CG2-CD 4.12Å; T167-K171 VanDerWaalsContact CG2-NZ 3.32Å; T167-K171 WeakPolarHBondContact O-CB 3.29Å; T167-K171 WeakPolarHBondContact O-CD 3.26Å; T167-K171 WeakPolarHBondContact O-CG 3.46Å; T167-K171 PolarHBondContact O-N 3.47Å; Y168-K171 PolarHBondContact O-N 2.99Å; S169-K171 VanDerWaalsContact C-N 3.32Å; S169-K171 PolarHBondContact O-N 3.01Å; K171-K175 VanDerWaalsContact O-CG 3.28Å; K171-K175 WeakPolarHBondContact O-CG 3.28Å; K171-K175 PolarHBondContact O-N 3.31Å; K171-K175 VanDerWaalsContact O-N 3.16Å |
| 172 | L | 95.9 | Very high | 93.1 | Very high | 126 Ų | 126 | 121.6 Ų | 121.6 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.9 | -47.4 | 177.9 | -179.2 | 60.2 | 0 | 0 | 0 | 111.4 | Y168 S169 A174 K175 F176 | Y168-L172 WeakPolarHBondContact O-CB 3.23Å; Y168-L172 PolarHBondContact O-N 3.22Å; S169-L172 PolarHBondContact O-N 2.69Å; S169-L172 VanDerWaalsContact O-N 3.15Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-A174 PolarHBondContact O-N 2.89Å; L172-K175 WeakPolarHBondContact O-CB 2.98Å; L172-K175 PolarHBondContact O-N 2.93Å; L172-F176 PolarHBondContact O-N 3.02Å |
| 173 | E | 95.1 | Very high | 92.8 | Very high | 99 Ų | 99 | 124.9 Ų | 124.9 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -57 | -46.2 | 175.1 | -168.7 | -157.8 | 154 | 0 | 0 | 111.5 | S169 K175 F176 K177 | S169-E173 WeakPolarHBondContact O-CB 3.46Å; S169-E173 PolarHBondContact O-N 2.95Å; E173-K175 PolarHBondContact O-N 3.17Å; E173-F176 PolarHBondContact O-N 3.25Å; E173-K177 HydrophobicContact CG-CD 4.25Å; E173-K177 WeakPolarHBondContact O-CB 3.31Å; E173-K177 PolarHBondContact O-N 2.75Å; E173-K177 VanDerWaalsContact OE1-CE 3.29Å; E173-K177 WeakPolarHBondContact OE1-CE 3.07Å; E173-K177 IonicContact OE1-NZ 2.62Å; E173-K177 PolarHBondContact OE1-NZ 3.09Å |
| 174 | A | 95.3 | Very high | 92.5 | Very high | 49 Ų | 49 | 122.7 Ų | 122.7 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.5 | -16.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K170 L172 K178 | K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-A174 PolarHBondContact O-N 2.89Å; A174-K178 VanDerWaalsContact O-CD 3.31Å; A174-K178 WeakPolarHBondContact O-CD 3.41Å; A174-K178 VanDerWaalsContact O-CG 3.29Å; A174-K178 WeakPolarHBondContact O-CG 3.46Å |
| 175 | K | 94.3 | Very high | 92.3 | Very high | 146 Ų | 146 | 123.6 Ų | 123.6 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -83.4 | -44.7 | 168.4 | -74.2 | -82.4 | -173.9 | 166.9 | 0 | 110.8 | K171 L172 E173 K178 L179 | K171-K175 VanDerWaalsContact O-CG 3.28Å; K171-K175 WeakPolarHBondContact O-CG 3.28Å; K171-K175 PolarHBondContact O-N 3.31Å; K171-K175 VanDerWaalsContact O-N 3.16Å; L172-K175 WeakPolarHBondContact O-CB 2.98Å; L172-K175 PolarHBondContact O-N 2.93Å; E173-K175 PolarHBondContact O-N 3.17Å; K175-K178 WeakPolarHBondContact O-CB 3.34Å; K175-K178 PolarHBondContact O-N 3.09Å; K175-K178 VanDerWaalsContact O-N 3.13Å; K175-L179 PolarHBondContact O-N 2.75Å |
| 176 | F | 94.9 | Very high | 91.9 | Very high | 134 Ų | 134 | 124 Ų | 124 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.1 | -51.1 | 178.1 | -168.1 | -88 | 0 | 0 | 0 | 111.6 | L172 E173 K178 L179 E180 | L172-F176 PolarHBondContact O-N 3.02Å; E173-F176 PolarHBondContact O-N 3.25Å; F176-K178 PolarHBondContact O-N 2.92Å; F176-L179 PolarHBondContact O-N 3.12Å; F176-E180 PolarHBondContact O-N 3.04Å |
| 177 | K | 94.2 | Very high | 91.6 | Very high | 106 Ų | 106 | 127.7 Ų | 127.7 | 46% | 0.461 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.4 | -7 | 176.3 | -73.4 | 179.8 | 170.3 | 175.2 | 0 | 115.2 | E173 K181 | E173-K177 HydrophobicContact CG-CD 4.25Å; E173-K177 WeakPolarHBondContact O-CB 3.31Å; E173-K177 PolarHBondContact O-N 2.75Å; E173-K177 VanDerWaalsContact OE1-CE 3.29Å; E173-K177 WeakPolarHBondContact OE1-CE 3.07Å; E173-K177 IonicContact OE1-NZ 2.62Å; E173-K177 PolarHBondContact OE1-NZ 3.09Å; K177-K181 WeakPolarHBondContact O-CG 3.31Å |
| 178 | K | 92.6 | Very high | 91.2 | Very high | 154 Ų | 154 | 133.7 Ų | 133.7 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -99.7 | -19 | 171.9 | -73.2 | 178.5 | -176.8 | -176.1 | 0 | 113.4 | A174 K175 F176 | A174-K178 VanDerWaalsContact O-CD 3.31Å; A174-K178 WeakPolarHBondContact O-CD 3.41Å; A174-K178 VanDerWaalsContact O-CG 3.29Å; A174-K178 WeakPolarHBondContact O-CG 3.46Å; K175-K178 WeakPolarHBondContact O-CB 3.34Å; K175-K178 PolarHBondContact O-N 3.09Å; K175-K178 VanDerWaalsContact O-N 3.13Å; F176-K178 PolarHBondContact O-N 2.92Å |
| 179 | L | 92.6 | Very high | 90.8 | Very high | 125 Ų | 125 | 131.9 Ų | 131.9 | 65% | 0.654 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -87.8 | -40 | 173.1 | -66.4 | 171.1 | 0 | 0 | 0 | 110.7 | K175 F176 K181 R182 | K175-L179 PolarHBondContact O-N 2.75Å; F176-L179 PolarHBondContact O-N 3.12Å; L179-K181 PolarHBondContact O-N 3.04Å; L179-K181 VanDerWaalsContact O-N 3.1Å; L179-R182 PolarHBondContact O-N 3.27Å |
| 180 | E | 88.2 | Confident | 90.2 | Very high | 133 Ų | 133 | 136.3 Ų | 136.3 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -15.9 | 178.1 | -174.1 | 177.8 | -138.8 | 0 | 0 | 114.5 | F176 | F176-E180 PolarHBondContact O-N 3.04Š|
| 181 | K | 81.7 | Confident | 89.7 | Confident | 176 Ų | 176 | 137.9 Ų | 137.9 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 22.8 | -177.5 | -63.5 | -172.4 | 177.8 | -168.5 | 0 | 113.6 | K177 L179 | K177-K181 WeakPolarHBondContact O-CG 3.31Å; L179-K181 PolarHBondContact O-N 3.04Å; L179-K181 VanDerWaalsContact O-N 3.1Å |
| 182 | R | 55.2 | Low | 89.1 | Confident | 279 Ų | 279 | 138.8 Ų | 138.8 | 100% | 1.053 | 63% | 0.634 | S | S | * | * | trans | -139.6 | 0 | -169.6 | -170.8 | 175.9 | -172.4 | 173.3 | 3.9 | 112.9 | L179 | L179-R182 PolarHBondContact O-N 3.27Š|
Retrieved 182 of 182 residues in 128.5 ms
(Link to these results)