| 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 | 42.1 | Very low | 37 | Very low | 242 Ų | 242 | 154 Ų | 154 | 100% | 1.192 | 83% | 0.825 | S | S | * | * | 0 | 89.3 | 0 | -57.8 | 174.8 | -179.8 | 0 | 0 | 107.1 | |||||
| 2 | A | 35.1 | Very low | 36.7 | Very low | 94 Ų | 94 | 152.4 Ų | 152.4 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | cis | 74 | 98.7 | 19 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 3 | S | 34 | Very low | 36.6 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | 177.3 | 147.8 | 132.3 | -79.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 4 | T | 40.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 68% | 0.675 | 82% | 0.823 | S | S | * | * | cis | -166.3 | 157.9 | -25.9 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | R | 39.3 | Very low | 36 | Very low | 227 Ų | 227 | 154.3 Ų | 154.3 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | trans | 97.9 | 124.2 | 169.3 | -62.4 | -176.7 | 176.9 | 167.2 | -0.1 | 115.1 | ||||
| 6 | I | 40.2 | Very low | 36 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 75% | 0.754 | 83% | 0.826 | S | S | * | * | cis | 72.3 | 128.8 | 9.6 | -31.3 | 167.8 | 0 | 0 | 0 | 113.3 | ||||
| 7 | T | 39.1 | Very low | 36.2 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | cis | -130.3 | 151.3 | 23.3 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 8 | N | 34 | Very low | 35.9 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | 52.7 | 136.8 | 65.3 | -87.4 | -3.5 | 0 | 0 | 0 | 114.8 | |||||
| 9 | L | 36.1 | Very low | 35.7 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | cis | -142.5 | -178.4 | 11.8 | -89.1 | 132.7 | 0 | 0 | 0 | 109 | ||||
| 10 | Q | 34.3 | Very low | 35.4 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | cis | -172.4 | 166 | 45.3 | -151.7 | 164.5 | 17.3 | 0 | 0 | 112.9 | ||||
| 11 | N | 32.6 | Very low | 35.1 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -101 | 170 | -171.6 | -115 | -27.1 | 0 | 0 | 0 | 114.5 | ||||
| 12 | V | 33 | Very low | 35.1 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 148.6 | 140.6 | 130.4 | 166.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 13 | A | 35.3 | Very low | 34.7 | Very low | 91 Ų | 91 | 147.7 Ų | 147.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -110.2 | 164.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 14 | K | 33 | Very low | 34.5 | Very low | 200 Ų | 200 | 149.6 Ų | 149.6 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -157.5 | 132.5 | 163.6 | -93.2 | 167 | -178.4 | 178.1 | 0 | 107.3 | ||||
| 15 | Q | 31.4 | Very low | 33.9 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | cis | 88.6 | 144 | 42.3 | -90.4 | -167.5 | -1.2 | 0 | 0 | 117.2 | ||||
| 16 | V | 36.2 | Very low | 33.4 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -91.6 | 169.6 | -162.2 | -169 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 17 | P | 39.7 | Very low | 33 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -143.5 | 168.7 | 130.4 | 35.2 | -19.1 | 0 | 0 | 0 | 116.5 | ||||
| 18 | L | 30.5 | Very low | 32.6 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -139.1 | 159.6 | 179.2 | -141.3 | 84.6 | 0 | 0 | 0 | 110.2 | ||||
| 19 | I | 33 | Very low | 32.4 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | 93.6 | 110.6 | 153.5 | -66.3 | 168.7 | 0 | 0 | 0 | 122.1 | ||||
| 20 | Q | 29 | Very low | 32.1 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | 69.3 | 121.5 | 133.1 | -72 | 176.9 | -10.1 | 0 | 0 | 127.6 | ||||
| 21 | T | 30.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | trans | 41.2 | 143.5 | 131.5 | 52.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 22 | P | 40.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | -151.5 | -158.8 | 67.9 | 43.9 | -21.9 | 0 | 0 | 0 | 119 | |||||
| 23 | Q | 27.9 | Very low | 31.9 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -86.6 | 163.4 | -151.3 | -72.4 | 169.5 | -51.6 | 0 | 0 | 120.2 | ||||
| 24 | Q | 28.6 | Very low | 31.7 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 88.3 | 141.3 | 132.1 | -90.7 | 175.2 | 16.2 | 0 | 0 | 124.8 | ||||
| 25 | S | 28.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | 73.1 | 156.4 | 157.6 | 77.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 26 | A | 29.6 | Very low | 31.7 | Very low | 89 Ų | 89 | 141.4 Ų | 141.4 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | cis | -170.7 | 148.6 | -37.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 27 | A | 30.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | 61.9 | 162.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 28 | A | 31.3 | Very low | 30.9 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 65% | 0.653 | 81% | 0.813 | S | S | * | * | cis | -167.3 | 155.8 | -28.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 29 | Q | 30.2 | Very low | 30.9 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | 61.9 | 146.4 | 153.1 | -68.4 | 171.5 | 7.3 | 0 | 0 | 121.5 | ||||
| 30 | G | 28.5 | Very low | 30.8 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 147.8 | 92.8 | 164 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 31 | A | 34.1 | Very low | 31 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -94.2 | 152.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 32 | V | 30 | Very low | 31.5 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 92% | 0.915 | 82% | 0.823 | S | S | * | * | trans | -139.2 | 140.2 | 160.4 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 33 | Q | 32.4 | Very low | 31.1 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -88.8 | 165.7 | -172.8 | -85.5 | 175.8 | -33.6 | 0 | 0 | 115.5 | ||||
| 34 | M | 31.2 | Very low | 31.3 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 86% | 0.862 | 82% | 0.818 | S | S | * | * | trans | -63.5 | 156.9 | 178.9 | -63.7 | -91.1 | -72 | 0 | 0 | 115 | ||||
| 35 | R | 27.5 | Very low | 31.5 | Very low | 246 Ų | 246 | 141 Ų | 141 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | trans | -130 | 140.8 | 155.3 | -157.6 | 171.5 | -160.2 | 159.3 | 7.4 | 111.4 | ||||
| 36 | I | 37.4 | Very low | 31.8 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | trans | -100 | 143.7 | -164.9 | -62.9 | 157.9 | 0 | 0 | 0 | 111.7 | ||||
| 37 | K | 30.3 | Very low | 32.1 | Very low | 210 Ų | 210 | 143 Ų | 143 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -161.1 | 160.6 | 135.3 | -112 | 175.2 | -176.6 | -175.4 | 0 | 112.7 | ||||
| 38 | S | 28.9 | Very low | 32.4 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -144.2 | 141.7 | -149.4 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 39 | S | 29.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | 176.4 | 147.6 | 146.6 | 49.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 40 | Q | 31.3 | Very low | 33.1 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | cis | -165.4 | 158.6 | -11.3 | -107.4 | 175 | -7.7 | 0 | 0 | 104.7 | ||||
| 41 | S | 32.4 | Very low | 33.4 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -100 | -166.5 | -169.6 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 42 | P | 41.8 | Very low | 33.7 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | cis | -139.4 | 175.7 | 3.3 | 40.5 | -20.3 | 0 | 0 | 0 | 117.9 | ||||
| 43 | G | 31.8 | Very low | 34 | Very low | 77 Ų | 77 | 150.8 Ų | 150.8 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 168.9 | 65.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 44 | D | 30.6 | Very low | 34.3 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -70.2 | 165.4 | 176 | -77.2 | -39.2 | 0 | 0 | 0 | 113.4 | ||||
| 45 | R | 33.9 | Very low | 34.4 | Very low | 214 Ų | 214 | 149.4 Ų | 149.4 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | cis | -164.7 | 149.8 | -20.9 | -109.4 | 171.4 | -159.3 | -152.3 | 1.7 | 110.9 | ||||
| 46 | L | 34.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -4.1 | 132.3 | 143.7 | -62.9 | 160.1 | 0 | 0 | 0 | 117 | ||||
| 47 | S | 36.4 | Very low | 34.2 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | 54.1 | 96.2 | 57.7 | -168.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 48 | Q | 35.6 | Very low | 34.3 | Very low | 160 Ų | 160 | 141 Ų | 141 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -146.5 | 130.7 | 153.7 | -70.6 | -161.4 | 6.9 | 0 | 0 | 111.4 | ||||
| 49 | S | 39.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -100.9 | 137.7 | 163.1 | -52.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 50 | K | 37.4 | Very low | 35.2 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -136.4 | 143.7 | 168.9 | -86 | -171.9 | 175.5 | 179 | 0 | 112.1 | ||||
| 51 | S | 34.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 160 | -179.4 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | M | 39.7 | Very low | 35.3 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -129.3 | 121.3 | 170.5 | -101.7 | 176.3 | 61.1 | 0 | 0 | 110.5 | ||||
| 53 | V | 37.6 | Very low | 35.2 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -110.3 | 139.6 | 164.7 | 172.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 54 | L | 37.9 | Very low | 35 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -95.4 | 147.9 | 179.6 | -68.1 | 167.8 | 0 | 0 | 0 | 111.3 | ||||
| 55 | Q | 32.4 | Very low | 34.9 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -151.8 | 153.3 | 154.5 | -110.6 | 174.8 | 11.5 | 0 | 0 | 110 | ||||
| 56 | D | 31.2 | Very low | 34.8 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -93.1 | -175.8 | -161.1 | -66.9 | -70.1 | 0 | 0 | 0 | 115.8 | ||||
| 57 | S | 29.8 | Very low | 34.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 88.1 | 131.4 | 171.1 | -56.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 58 | D | 31.9 | Very low | 34.6 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | cis | -140.7 | 162.4 | 16.4 | -95.2 | -47 | 0 | 0 | 0 | 116 | ||||
| 59 | L | 39.3 | Very low | 34.4 | Very low | 159 Ų | 159 | 156.4 Ų | 156.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -90.8 | 170.5 | -177.7 | -72 | 159.1 | 0 | 0 | 0 | 113.1 | ||||
| 60 | P | 38.8 | Very low | 34 | Very low | 112 Ų | 112 | 157.9 Ų | 157.9 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | -156.7 | 138 | 86 | 37.5 | -15.8 | 0 | 0 | 0 | 119.6 | |||||
| 61 | Q | 33.7 | Very low | 33.7 | Very low | 151 Ų | 151 | 156.8 Ų | 156.8 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | 57.5 | 150.1 | 130 | -64.4 | -166.3 | 8.7 | 0 | 0 | 121.4 | |||||
| 62 | K | 33.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 156 Ų | 156 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | cis | -174.1 | -169.1 | 17.1 | -122 | 170.2 | -178.8 | 146.9 | 0 | 107.5 | ||||
| 63 | P | 38.6 | Very low | 33.6 | Very low | 99 Ų | 99 | 157.4 Ų | 157.4 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | -132.6 | -168.6 | -31.4 | 30.3 | -7.6 | 0 | 0 | 0 | 114.2 | ||||
| 64 | L | 29.2 | Very low | 33.4 | Very low | 165 Ų | 165 | 160.1 Ų | 160.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | 85.2 | 144.9 | 162.5 | -50.8 | 176.6 | 0 | 0 | 0 | 118.3 | ||||
| 65 | S | 28.5 | Very low | 32.9 | Very low | 93 Ų | 93 | 156.6 Ų | 156.6 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | cis | -164.7 | 144.2 | -27.9 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 66 | R | 31.7 | Very low | 32.8 | Very low | 208 Ų | 208 | 153.7 Ų | 153.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 5.1 | 138.6 | 155.9 | -57 | 171.2 | 169 | -177.1 | -3.6 | 118.9 | ||||
| 67 | H | 32.4 | Very low | 32.6 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | -170.8 | 152.7 | 75.7 | -102.4 | -73.9 | 0 | 0 | 0 | 116.9 | |||||
| 68 | R | 34.1 | Very low | 32.7 | Very low | 238 Ų | 238 | 154.9 Ų | 154.9 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -52.9 | 151.7 | 162.8 | -78.9 | 170.6 | 161.8 | 171.2 | -5.9 | 114.3 | ||||
| 69 | R | 30.8 | Very low | 32.5 | Very low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | -166.4 | 143.7 | 109.7 | -130.2 | 178.1 | 175.6 | 126.7 | -3 | 115 | |||||
| 70 | N | 31.8 | Very low | 32.1 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -91.3 | 160 | 159.4 | -94.7 | -8.2 | 0 | 0 | 0 | 110.1 | ||||
| 71 | Q | 31.6 | Very low | 31.6 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | 132.7 | 104.6 | 154.5 | -80.2 | 175.8 | -23.5 | 0 | 0 | 110.3 | ||||
| 72 | S | 36.6 | Very low | 31.6 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | 76.8 | 124.5 | 74 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 73 | Q | 35.6 | Very low | 31.4 | Very low | 195 Ų | 195 | 145.6 Ų | 145.6 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -161.6 | 142.7 | 136.7 | -110.1 | 165.3 | 42.9 | 0 | 0 | 111.3 | ||||
| 74 | H | 31.9 | Very low | 31.2 | Very low | 194 Ų | 194 | 151 Ų | 151 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -77.4 | 154.7 | 169.8 | -82.2 | -102.5 | 0 | 0 | 0 | 110.4 | ||||
| 75 | G | 28.7 | Very low | 31.2 | Very low | 73 Ų | 73 | 152.1 Ų | 152.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -169.7 | 82.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 76 | V | 30.7 | Very low | 31.5 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -75.2 | 122.5 | 168.7 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 77 | V | 26.9 | Very low | 32 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -129.4 | 106.6 | 163 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 78 | L | 31.6 | Very low | 32.7 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -73.3 | 121.4 | 158.3 | -90.6 | 153.1 | 0 | 0 | 0 | 107.6 | ||||
| 79 | S | 26.2 | Very low | 33.2 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -133 | 112.4 | 162.3 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | A81 | S79-A81 PolarHBondContact O-N 3.44Š| ||
| 80 | V | 31.9 | Very low | 34.6 | Very low | 144 Ų | 144 | 127 Ų | 127 | 87% | 0.873 | 73% | 0.727 | S | S | * | * | trans | -84.7 | 103.7 | 167 | 174.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 81 | A | 27.4 | Very low | 35.9 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | -142.8 | 116.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S79 A83 | S79-A81 PolarHBondContact O-N 3.44Å; A81-A83 PolarHBondContact O-N 2.89Å | ||
| 82 | T | 34.3 | Very low | 38 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | trans | -65.8 | 118.9 | 171.1 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 83 | A | 29.4 | Very low | 40.3 | Very low | 92 Ų | 92 | 119 Ų | 119 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | trans | -141.1 | 130.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A81 | A81-A83 PolarHBondContact O-N 2.89Š| ||
| 84 | F | 34.4 | Very low | 42.6 | Very low | 213 Ų | 213 | 114.9 Ų | 114.9 | 93% | 0.934 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 124.2 | 173.3 | -79.4 | -116.9 | 0 | 0 | 0 | 109.2 | ||
| 85 | E | 28.4 | Very low | 45.2 | Very low | 187 Ų | 187 | 105.8 Ų | 105.8 | 87% | 0.874 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 137.3 | 158.9 | -82.6 | -153 | 145.2 | 0 | 0 | 110.3 | ||
| 86 | P | 36.1 | Very low | 48.1 | Very low | 124 Ų | 124 | 103.8 Ų | 103.8 | 81% | 0.805 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 145.9 | -179.5 | 30.7 | -33.9 | 0 | 0 | 0 | 113.3 | V88 | P86-V88 PolarHBondContact O-N 2.76Š|
| 87 | L | 42.2 | Very low | 50.8 | Low | 78 Ų | 78 | 97.6 Ų | 97.6 | 41% | 0.408 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -40.2 | 110.8 | 172.9 | -174 | 66.4 | 0 | 0 | 0 | 115.3 | D89 T120 | L87-D89 PolarHBondContact O-N 3.38Å; L87-T120 HydrophobicContact CB-CG2 4.5Å; L87-T120 HydrophobicContact CD2-CG2 4.04Å |
| 88 | V | 45.3 | Very low | 53.8 | Low | 54 Ų | 54 | 91.6 Ų | 91.6 | 33% | 0.327 | 51% | 0.512 | S | S | . | . | trans | 31 | 85.4 | 151.3 | -168.1 | 0 | 0 | 0 | 0 | 116.5 | P86 L90 | P86-V88 PolarHBondContact O-N 2.76Å; V88-L90 HydrophobicContact CG1-CD1 4.31Å; V88-L90 HydrophobicContact CG1-CG 4.22Å | ||
| 89 | D | 45.8 | Very low | 56.4 | Low | 133 Ų | 133 | 86.5 Ų | 86.5 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | trans | -96.2 | 98 | 164.7 | -167.3 | 21.4 | 0 | 0 | 0 | 110.1 | L87 K91 | L87-D89 PolarHBondContact O-N 3.38Å; D89-K91 PolarHBondContact O-N 3.02Å | ||
| 90 | L | 58.8 | Low | 59.3 | Low | 26 Ų | 26 | 83.1 Ų | 83.1 | 14% | 0.136 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 100.8 | 179.6 | -98.2 | 169 | 0 | 0 | 0 | 110.1 | V88 G92 L118 W186 A189 | V88-L90 HydrophobicContact CG1-CD1 4.31Å; V88-L90 HydrophobicContact CG1-CG 4.22Å; L90-G92 PolarHBondContact O-N 2.8Å; L90-G92 VanDerWaalsContact O-N 3.15Å; L90-L118 HydrophobicContact CB-CB 4.4Å; L90-L118 HydrophobicContact CD1-CD2 4.21Å; L90-W186 HydrophobicContact CB-CH2 4.4Å; L90-A189 HydrophobicContact CD1-CB 3.33Å |
| 91 | K | 59.8 | Low | 61.8 | Low | 183 Ų | 183 | 76.4 Ų | 76.4 | 80% | 0.796 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -43 | 122 | 169.3 | -71.9 | -176.2 | 173.9 | 177.8 | 0 | 109.8 | D89 | D89-K91 PolarHBondContact O-N 3.02Å |
| 92 | G | 76.4 | Confident | 64.4 | Low | 15 Ų | 15 | 75.7 Ų | 75.7 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 153 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L90 W115 T116 | L90-G92 PolarHBondContact O-N 2.8Å; L90-G92 VanDerWaalsContact O-N 3.15Å; G92-W115 WeakPolarHBondContact O-CH2 3.42Å; G92-W115 VanDerWaalsContact O-CZ2 3.25Å; G92-W115 WeakPolarHBondContact O-CZ2 3.4Å; G92-W115 WeakPolarHBondContact O-CZ3 3.3Å; G92-T116 WeakPolarHBondContact CA-O 3.41Å |
| 93 | E | 83.9 | Confident | 66.3 | Low | 53 Ų | 53 | 73.8 Ų | 73.8 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.6 | 176.4 | -64.7 | 176.8 | -170.1 | 0 | 0 | 109.5 | L95 T116 T182 K185 W186 | E93-L95 PolarHBondContact O-N 2.77Å; E93-T116 PolarHBondContact N-O 3.2Å; E93-T116 VanDerWaalsContact N-O 3.16Å; E93-T116 PolarHBondContact O-N 2.72Å; E93-T182 VanDerWaalsContact OE2-CG2 3.28Å; E93-T182 WeakPolarHBondContact OE2-CG2 3.34Å; E93-K185 IonicContact OE1-NZ 2.82Å; E93-K185 PolarHBondContact OE1-NZ 2.98Å; E93-W186 HydrophobicContact CB-CZ2 3.8Å; E93-W186 HydrophobicContact CG-CZ2 4.05Å; E93-W186 PolarHBondContact OE2-NE1 2.8Å |
| 94 | H | 84.3 | Confident | 68.1 | Low | 108 Ų | 108 | 72 Ų | 72 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 119.7 | 174.7 | -72.1 | 99.2 | 0 | 0 | 0 | 110.2 | W115 | H94-W115 AromaticContact CE1-CE3 3.42Å; H94-W115 VanDerWaalsContact CE1-CE3 3.42Å; H94-W115 AromaticContact CE1-CZ3 3.75Å; H94-W115 AromaticContact CG-CE3 3.96Å; H94-W115 AromaticContact ND1-CE3 3.54Å; H94-W115 AromaticContact ND1-CZ3 3.74Å; H94-W115 AromaticContact NE2-CE3 3.76Å |
| 95 | L | 87.4 | Confident | 70.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.3 | 175.2 | -58.7 | 178.5 | 0 | 0 | 0 | 110.2 | E93 V97 M114 T116 I175 A177 T182 W186 | E93-L95 PolarHBondContact O-N 2.77Å; L95-V97 HydrophobicContact CB-CG2 4.45Å; L95-V97 PolarHBondContact O-N 3.29Å; L95-M114 PolarHBondContact N-O 3.14Å; L95-M114 PolarHBondContact O-N 3Å; L95-T116 HydrophobicContact CD1-CG2 3.95Å; L95-I175 HydrophobicContact CB-CG2 3.97Å; L95-I175 HydrophobicContact CD1-CG2 3.72Å; L95-I175 HydrophobicContact CG-CG2 4.38Å; L95-A177 HydrophobicContact CD2-CB 3.81Å; L95-T182 HydrophobicContact CD2-CG2 4.33Å; L95-W186 HydrophobicContact CD1-CB 4.46Å; L95-W186 HydrophobicContact CD1-CD2 3.74Å; L95-W186 HydrophobicContact CD1-CE3 4.07Å; L95-W186 HydrophobicContact CD1-CG 3.89Å |
| 96 | N | 88.3 | Confident | 72.6 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 17% | 0.171 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 114.8 | 173.2 | -78.6 | -59.7 | 0 | 0 | 0 | 108.8 | W111 I175 Q176 | N96-W111 HydrophobicContact CB-CE3 4.11Å; N96-W111 WeakPolarHBondContact O-CZ3 3.33Å; N96-I175 CarbonylContact O-C 3.54Å; N96-Q176 HydrophobicContact CB-CB 4.11Å; N96-Q176 VanDerWaalsContact CB-OE1 3.31Å; N96-Q176 PolarHBondContact N-O 3.03Å; N96-Q176 PolarHBondContact ND2-OE1 2.78Å; N96-Q176 PolarHBondContact O-N 3.46Å |
| 97 | V | 88.8 | Confident | 74.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.3 | -178.4 | -173 | 0 | 0 | 0 | 0 | 110.9 | L95 T112 M114 L125 Y173 L174 I175 | L95-V97 HydrophobicContact CB-CG2 4.45Å; L95-V97 PolarHBondContact O-N 3.29Å; V97-T112 PolarHBondContact N-O 3.4Å; V97-T112 PolarHBondContact O-N 3Å; V97-M114 HydrophobicContact CB-CE 4.05Å; V97-M114 HydrophobicContact CB-CG 4.41Å; V97-M114 HydrophobicContact CB-SD 4.11Å; V97-M114 HydrophobicContact CG1-CE 4.43Å; V97-M114 HydrophobicContact CG2-CB 4.38Å; V97-L125 HydrophobicContact CG1-CD1 3.95Å; V97-L125 HydrophobicContact CG2-CD1 4.48Å; V97-L125 HydrophobicContact CG2-CD2 4.07Å; V97-Y173 HydrophobicContact CG1-CD1 4.22Å; V97-L174 CarbonylContact C-O 3.59Å; V97-L174 VanDerWaalsContact CA-O 3.32Å; V97-L174 WeakPolarHBondContact CA-O 3.27Å; V97-I175 HydrophobicContact CG1-CG1 4.35Å; V97-I175 HydrophobicContact CG2-CG1 4.2Å |
| 98 | A | 88.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 113.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I100 K109 N110 W111 L174 | A98-I100 PolarHBondContact O-N 3.48Å; A98-K109 HydrophobicContact CB-CG 4.02Å; A98-N110 VanDerWaalsContact CA-O 3.31Å; A98-N110 WeakPolarHBondContact CA-O 3.33Å; A98-N110 WeakPolarHBondContact CB-O 3.35Å; A98-W111 HydrophobicContact CB-CD2 3.71Å; A98-W111 HydrophobicContact CB-CE3 3.61Å; A98-W111 HydrophobicContact CB-CG 4.26Å; A98-W111 HydrophobicContact CB-CH2 4.26Å; A98-W111 HydrophobicContact CB-CZ2 4.33Å; A98-W111 HydrophobicContact CB-CZ3 3.9Å; A98-L174 HydrophobicContact CB-CB 4.49Å; A98-L174 PolarHBondContact N-O 2.87Å; A98-L174 PolarHBondContact O-N 3.08Å |
| 99 | K | 87.3 | Confident | 78 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 23% | 0.226 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.5 | 170.7 | -166.8 | 171 | -175.6 | 170.7 | 0 | 109.3 | S101 D102 Y173 | K99-S101 WeakPolarHBondContact CE-O 3.37Å; K99-D102 WeakPolarHBondContact CE-OD1 3.46Å; K99-D102 IonicContact NZ-OD1 2.71Å; K99-D102 PolarHBondContact NZ-OD1 3.45Å; K99-Y173 HydrophobicContact CB-CD1 4.05Å; K99-Y173 HydrophobicContact CB-CE1 4.04Å; K99-Y173 HydrophobicContact CD-CD1 4.44Å; K99-Y173 HydrophobicContact CD-CE1 3.67Å; K99-Y173 HydrophobicContact CD-CE2 4.38Å; K99-Y173 VanDerWaalsContact CE-OH 3.3Å; K99-Y173 WeakPolarHBondContact CE-OH 3.22Å; K99-Y173 HydrophobicContact CG-CD1 4.11Å; K99-Y173 HydrophobicContact CG-CE1 3.84Å; K99-Y173 HydrophobicContact CG-CE2 4.46Å; K99-Y173 PolarHBondContact NZ-OH 3.3Å |
| 100 | I | 86.8 | Confident | 79.8 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -17.1 | -176.4 | 61.5 | 168.3 | 0 | 0 | 0 | 113.2 | A98 Q107 K109 E172 L174 | A98-I100 PolarHBondContact O-N 3.48Å; I100-Q107 PolarHBondContact O-N 2.94Å; I100-K109 HydrophobicContact CG2-CB 3.98Å; I100-K109 HydrophobicContact CG2-CD 4.16Å; I100-K109 HydrophobicContact CG2-CG 3.93Å; I100-E172 HydrophobicContact CD1-CB 4.04Å; I100-E172 HydrophobicContact CG1-CB 3.53Å; I100-E172 WeakPolarHBondContact CG1-O 3.41Å; I100-E172 PolarHBondContact N-O 3.38Å; I100-L174 HydrophobicContact CD1-CD1 4.14Å; I100-L174 HydrophobicContact CD1-CD2 4.04Å; I100-L174 HydrophobicContact CD1-CG 3.89Å; I100-L174 HydrophobicContact CG1-CG 4.34Å; I100-L174 HydrophobicContact CG2-CD1 3.86Å; I100-L174 HydrophobicContact CG2-CG 4.09Å |
| 101 | S | 84.6 | Confident | 81.1 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140.7 | 171.5 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | K99 G104 K105 G170 S171 E172 | K99-S101 WeakPolarHBondContact CE-O 3.37Å; S101-G104 WeakPolarHBondContact OG-CA 3.36Å; S101-K105 WeakPolarHBondContact CA-O 3.49Å; S101-G170 PolarHBondContact OG-O 3.46Å; S101-S171 WeakPolarHBondContact O-CA 3.38Å; S101-E172 WeakPolarHBondContact CB-OE2 3.19Å; S101-E172 PolarHBondContact N-O 2.91Å; S101-E172 PolarHBondContact O-N 3.04Å |
| 102 | D | 82.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 33% | 0.326 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 110.8 | 174.8 | -167.5 | 24.5 | 0 | 0 | 0 | 108.8 | K99 G104 K105 Q107 | K99-D102 WeakPolarHBondContact CE-OD1 3.46Å; K99-D102 IonicContact NZ-OD1 2.71Å; K99-D102 PolarHBondContact NZ-OD1 3.45Å; D102-G104 VanDerWaalsContact C-N 3.29Å; D102-G104 PolarHBondContact O-N 3.47Å; D102-K105 PolarHBondContact N-O 3.25Å; D102-K105 WeakPolarHBondContact O-CB 3.13Å; D102-K105 PolarHBondContact O-N 3.03Å; D102-Q107 HydrophobicContact CB-CG 4.17Å |
| 103 | N | 74.3 | Confident | 82.7 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 57% | 0.567 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 50.2 | -171.9 | -61.1 | -23.4 | 0 | 0 | 0 | 112.9 | K105 S171 | N103-K105 VanDerWaalsContact C-N 3.25Å; N103-K105 PolarHBondContact O-N 2.85Å; N103-S171 PolarHBondContact N-OG 3Å; N103-S171 PolarHBondContact OD1-OG 3.46Å |
| 104 | G | 66.8 | Low | 82.9 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -5.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S101 D102 G170 | S101-G104 WeakPolarHBondContact OG-CA 3.36Å; D102-G104 VanDerWaalsContact C-N 3.29Å; D102-G104 PolarHBondContact O-N 3.47Å; G104-G170 PolarHBondContact N-O 2.74Å |
| 105 | K | 76.9 | Confident | 82.9 | Confident | 157 Ų | 157 | 70 Ų | 70 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114.7 | 175.8 | -63.6 | 177 | -176.8 | 171.2 | 0 | 110.2 | S101 D102 N103 Q107 | S101-K105 WeakPolarHBondContact CA-O 3.49Å; D102-K105 PolarHBondContact N-O 3.25Å; D102-K105 WeakPolarHBondContact O-CB 3.13Å; D102-K105 PolarHBondContact O-N 3.03Å; N103-K105 VanDerWaalsContact C-N 3.25Å; N103-K105 PolarHBondContact O-N 2.85Å; K105-Q107 PolarHBondContact O-N 3.5Å |
| 106 | K | 81.1 | Confident | 82.9 | Confident | 187 Ų | 187 | 69.9 Ų | 69.9 | 81% | 0.813 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 123.6 | 178 | -65.7 | -173.4 | 177.7 | -176.7 | 0 | 111.5 | ||
| 107 | Q | 77.9 | Confident | 82.9 | Confident | 107 Ų | 107 | 69.6 Ų | 69.6 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 158 | 177 | -70.3 | -66 | -9.6 | 0 | 0 | 111.1 | I100 D102 K105 K109 | I100-Q107 PolarHBondContact O-N 2.94Å; D102-Q107 HydrophobicContact CB-CG 4.17Å; K105-Q107 PolarHBondContact O-N 3.5Å; Q107-K109 PolarHBondContact O-N 3.47Å |
| 108 | R | 74 | Confident | 82.7 | Confident | 228 Ų | 228 | 69.5 Ų | 69.5 | 86% | 0.86 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 117.6 | 173 | 179.9 | 180 | 177 | -177.7 | -0.9 | 108.9 | N110 | R108-N110 PolarHBondContact O-N 3.37Š|
| 109 | K | 84.7 | Confident | 82.5 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | trans | -51.9 | 111.6 | 174.9 | -175.7 | 168.1 | 67.7 | 173.8 | 0 | 110.6 | A98 I100 Q107 W111 K156 L174 | A98-K109 HydrophobicContact CB-CG 4.02Å; I100-K109 HydrophobicContact CG2-CB 3.98Å; I100-K109 HydrophobicContact CG2-CD 4.16Å; I100-K109 HydrophobicContact CG2-CG 3.93Å; Q107-K109 PolarHBondContact O-N 3.47Å; K109-W111 HydrophobicContact CD-CZ2 4.09Å; K109-K156 PolarHBondContact NZ-O 2.96Å; K109-L174 HydrophobicContact CD-CD1 3.85Å | ||
| 110 | N | 82.7 | Confident | 81.8 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | trans | -125.5 | 125.8 | 173.7 | -171.9 | 26.5 | 0 | 0 | 0 | 108.3 | A98 R108 | A98-N110 VanDerWaalsContact CA-O 3.31Å; A98-N110 WeakPolarHBondContact CA-O 3.33Å; A98-N110 WeakPolarHBondContact CB-O 3.35Å; R108-N110 PolarHBondContact O-N 3.37Å | ||
| 111 | W | 85.7 | Confident | 81.4 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | trans | -88.9 | 137.4 | 178.7 | -69.1 | 101.5 | 0 | 0 | 0 | 109.9 | N96 A98 K109 S157 K159 V162 L174 Q176 | N96-W111 HydrophobicContact CB-CE3 4.11Å; N96-W111 WeakPolarHBondContact O-CZ3 3.33Å; A98-W111 HydrophobicContact CB-CD2 3.71Å; A98-W111 HydrophobicContact CB-CE3 3.61Å; A98-W111 HydrophobicContact CB-CG 4.26Å; A98-W111 HydrophobicContact CB-CH2 4.26Å; A98-W111 HydrophobicContact CB-CZ2 4.33Å; A98-W111 HydrophobicContact CB-CZ3 3.9Å; K109-W111 HydrophobicContact CD-CZ2 4.09Å; W111-S157 WeakPolarHBondContact CZ2-OG 3.41Å; W111-K159 HydrophobicContact CD2-CD 4.38Å; W111-K159 HydrophobicContact CZ2-CD 4.35Å; W111-V162 HydrophobicContact CH2-CG1 4.15Å; W111-V162 HydrophobicContact CH2-CG2 4.5Å; W111-L174 HydrophobicContact CH2-CB 3.66Å; W111-L174 HydrophobicContact CH2-CD1 4.27Å; W111-L174 HydrophobicContact CZ2-CB 4.42Å; W111-L174 HydrophobicContact CZ2-CD1 4.25Å; W111-L174 HydrophobicContact CZ3-CB 4.17Å; W111-Q176 HydrophobicContact CH2-CB 4.21Å; W111-Q176 HydrophobicContact CZ3-CB 3.91Å | ||
| 112 | T | 85.5 | Confident | 81.4 | Confident | 46 Ų | 46 | 77 Ų | 77 | 28% | 0.282 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 132.3 | 174.2 | -59 | 0 | 0 | 0 | 0 | 107.8 | V97 M114 | V97-T112 PolarHBondContact N-O 3.4Å; V97-T112 PolarHBondContact O-N 3Å; T112-M114 HydrophobicContact CG2-CE 4.11Å; T112-M114 HydrophobicContact CG2-CG 4.15Å; T112-M114 PolarHBondContact O-N 2.82Å |
| 113 | S | 86.1 | Confident | 81.6 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 126.5 | 169.7 | -173.3 | 0 | 0 | 0 | 0 | 108 | ||
| 114 | M | 86.4 | Confident | 82.1 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.2 | -179.7 | -57.2 | -170.5 | -157.4 | 0 | 0 | 109.2 | L95 V97 T112 T116 L125 Y126 | L95-M114 PolarHBondContact N-O 3.14Å; L95-M114 PolarHBondContact O-N 3Å; V97-M114 HydrophobicContact CB-CE 4.05Å; V97-M114 HydrophobicContact CB-CG 4.41Å; V97-M114 HydrophobicContact CB-SD 4.11Å; V97-M114 HydrophobicContact CG1-CE 4.43Å; V97-M114 HydrophobicContact CG2-CB 4.38Å; T112-M114 HydrophobicContact CG2-CE 4.11Å; T112-M114 HydrophobicContact CG2-CG 4.15Å; T112-M114 PolarHBondContact O-N 2.82Å; M114-T116 PolarHBondContact O-N 3.45Å; M114-T116 PolarHBondContact O-OG1 2.91Å; M114-L125 HydrophobicContact CB-CB 4.44Å; M114-L125 HydrophobicContact SD-CB 3.8Å; M114-L125 HydrophobicContact SD-CD1 4.14Å; M114-L125 HydrophobicContact SD-CG 4.46Å; M114-Y126 CarbonylContact C-O 3.47Å; M114-Y126 VanDerWaalsContact CA-O 3.24Å; M114-Y126 WeakPolarHBondContact CA-O 3.45Å; M114-Y126 WeakPolarHBondContact CB-O 3.43Å |
| 115 | W | 85 | Confident | 83 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 27% | 0.269 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 117.3 | 166.5 | -179.6 | -99.3 | 0 | 0 | 0 | 107.9 | G92 H94 Y126 | G92-W115 WeakPolarHBondContact O-CH2 3.42Å; G92-W115 VanDerWaalsContact O-CZ2 3.25Å; G92-W115 WeakPolarHBondContact O-CZ2 3.4Å; G92-W115 WeakPolarHBondContact O-CZ3 3.3Å; H94-W115 AromaticContact CE1-CE3 3.42Å; H94-W115 VanDerWaalsContact CE1-CE3 3.42Å; H94-W115 AromaticContact CE1-CZ3 3.75Å; H94-W115 AromaticContact CG-CE3 3.96Å; H94-W115 AromaticContact ND1-CE3 3.54Å; H94-W115 AromaticContact ND1-CZ3 3.74Å; H94-W115 AromaticContact NE2-CE3 3.76Å; W115-Y126 AromaticContact CD1-CD2 3.91Å; W115-Y126 PolarHBondContact N-O 3.27Å; W115-Y126 PolarHBondContact O-N 3.45Å |
| 116 | T | 87.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.9 | -172.9 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | G92 E93 L95 M114 L123 L124 L125 W186 | G92-T116 WeakPolarHBondContact CA-O 3.41Å; E93-T116 PolarHBondContact N-O 3.2Å; E93-T116 VanDerWaalsContact N-O 3.16Å; E93-T116 PolarHBondContact O-N 2.72Å; L95-T116 HydrophobicContact CD1-CG2 3.95Å; M114-T116 PolarHBondContact O-N 3.45Å; M114-T116 PolarHBondContact O-OG1 2.91Å; T116-L123 HydrophobicContact CG2-CD1 3.47Å; T116-L123 VanDerWaalsContact CG2-CD1 3.47Å; T116-L123 HydrophobicContact CG2-CD2 4.24Å; T116-L123 HydrophobicContact CG2-CG 3.86Å; T116-L124 WeakPolarHBondContact CA-O 3.5Å; T116-L125 HydrophobicContact CG2-CD2 3.72Å; T116-L125 WeakPolarHBondContact OG1-CD2 3.15Å; T116-W186 HydrophobicContact CG2-CE3 4.31Å; T116-W186 HydrophobicContact CG2-CH2 4.13Å; T116-W186 HydrophobicContact CG2-CZ3 3.75Å; T116-W186 VanDerWaalsContact O-CH2 3.23Å; T116-W186 WeakPolarHBondContact O-CH2 3.32Å |
| 117 | V | 87.3 | Confident | 82.8 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.5 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 108 | L124 Y126 | V117-L124 HydrophobicContact CB-CB 4.42Å; V117-L124 PolarHBondContact N-O 3.02Å; V117-L124 PolarHBondContact O-N 2.65Å; V117-Y126 HydrophobicContact CB-CE2 4.4Å; V117-Y126 HydrophobicContact CG2-CD2 4.42Å; V117-Y126 HydrophobicContact CG2-CE2 4Å |
| 118 | L | 85.6 | Confident | 82 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.2 | 173.9 | 176.8 | 63.1 | 0 | 0 | 0 | 108.8 | L90 L123 L145 W186 A189 I190 T193 | L90-L118 HydrophobicContact CB-CB 4.4Å; L90-L118 HydrophobicContact CD1-CD2 4.21Å; L118-L123 HydrophobicContact CB-CD1 4.16Å; L118-L123 HydrophobicContact CD1-CD1 4.11Å; L118-L145 HydrophobicContact CD1-CD1 3.46Å; L118-L145 VanDerWaalsContact CD1-CD1 3.46Å; L118-W186 HydrophobicContact CB-CZ3 3.83Å; L118-A189 HydrophobicContact CD2-CB 3.71Å; L118-I190 HydrophobicContact CD1-CG1 4.12Å; L118-I190 HydrophobicContact CD2-CG1 4.11Å; L118-T193 HydrophobicContact CD1-CG2 4.19Å |
| 119 | T | 83 | Confident | 80.7 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | trans | -100.2 | -168.9 | 171.2 | 71.9 | 0 | 0 | 0 | 0 | 110.2 | D121 E122 L124 | T119-D121 VanDerWaalsContact C-N 3.26Å; T119-D121 PolarHBondContact O-N 2.96Å; T119-E122 PolarHBondContact N-O 3.36Å; T119-E122 PolarHBondContact OG1-N 3.34Å; T119-E122 VanDerWaalsContact OG1-N 3.15Å; T119-E122 PolarHBondContact OG1-O 2.72Å; T119-E122 VanDerWaalsContact OG1-O 3.04Å; T119-L124 HydrophobicContact CG2-CD1 3.64Å; T119-L124 HydrophobicContact CG2-CG 4.16Å | ||
| 120 | T | 73.6 | Confident | 79 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -64.3 | -25.8 | -179.4 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | L87 T193 | L87-T120 HydrophobicContact CB-CG2 4.5Å; L87-T120 HydrophobicContact CD2-CG2 4.04Å; T120-T193 WeakPolarHBondContact O-CG2 3.45Å |
| 121 | D | 77.4 | Confident | 77.1 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -145.6 | -7.1 | -172.2 | -60.5 | -81.2 | 0 | 0 | 0 | 113.8 | T119 L145 | T119-D121 VanDerWaalsContact C-N 3.26Å; T119-D121 PolarHBondContact O-N 2.96Å; D121-L145 WeakPolarHBondContact O-CB 3.44Å; D121-L145 PolarHBondContact O-N 3.28Å |
| 122 | E | 84.9 | Confident | 74.9 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.5 | -173.4 | -56.1 | -172.2 | 146.8 | 0 | 0 | 112 | T119 L124 V142 | T119-E122 PolarHBondContact N-O 3.36Å; T119-E122 PolarHBondContact OG1-N 3.34Å; T119-E122 VanDerWaalsContact OG1-N 3.15Å; T119-E122 PolarHBondContact OG1-O 2.72Å; T119-E122 VanDerWaalsContact OG1-O 3.04Å; E122-L124 HydrophobicContact CB-CD2 4.45Å; E122-V142 HydrophobicContact CB-CG1 4.36Å; E122-V142 HydrophobicContact CG-CG1 4.43Å |
| 123 | L | 86.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 113.6 | 169.5 | -171.4 | 77.1 | 0 | 0 | 0 | 108.6 | T116 L118 L125 V143 L145 I165 I175 W186 I190 | T116-L123 HydrophobicContact CG2-CD1 3.47Å; T116-L123 VanDerWaalsContact CG2-CD1 3.47Å; T116-L123 HydrophobicContact CG2-CD2 4.24Å; T116-L123 HydrophobicContact CG2-CG 3.86Å; L118-L123 HydrophobicContact CB-CD1 4.16Å; L118-L123 HydrophobicContact CD1-CD1 4.11Å; L123-L125 HydrophobicContact CD2-CD2 4.36Å; L123-L125 HydrophobicContact CG-CD2 4.38Å; L123-V143 HydrophobicContact CB-CB 4.22Å; L123-V143 PolarHBondContact N-O 2.96Å; L123-V143 PolarHBondContact O-N 2.99Å; L123-L145 HydrophobicContact CB-CD1 4.29Å; L123-L145 HydrophobicContact CB-CD2 4.17Å; L123-L145 HydrophobicContact CB-CG 4.37Å; L123-I165 HydrophobicContact CD2-CD1 3.84Å; L123-I175 HydrophobicContact CD2-CD1 3.61Å; L123-W186 HydrophobicContact CD1-CZ3 4.17Å; L123-I190 HydrophobicContact CD1-CD1 3.94Å; L123-I190 HydrophobicContact CD1-CG1 4.22Å; L123-I190 HydrophobicContact CD2-CD1 4.15Å |
| 124 | L | 85.4 | Confident | 70.5 | Confident | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.7 | -175.1 | -58.3 | 175.9 | 0 | 0 | 0 | 110 | T116 V117 T119 E122 Y126 V142 | T116-L124 WeakPolarHBondContact CA-O 3.5Å; V117-L124 HydrophobicContact CB-CB 4.42Å; V117-L124 PolarHBondContact N-O 3.02Å; V117-L124 PolarHBondContact O-N 2.65Å; T119-L124 HydrophobicContact CG2-CD1 3.64Å; T119-L124 HydrophobicContact CG2-CG 4.16Å; E122-L124 HydrophobicContact CB-CD2 4.45Å; L124-Y126 HydrophobicContact CB-CD2 4.48Å; L124-Y126 HydrophobicContact CB-CE2 3.64Å; L124-Y126 WeakPolarHBondContact CD1-OH 3.43Å; L124-V142 HydrophobicContact CD2-CB 4.33Å; L124-V142 HydrophobicContact CD2-CG1 3.91Å; L124-V142 HydrophobicContact CD2-CG2 3.84Å |
| 125 | L | 85 | Confident | 68 | Low | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 112.5 | -177.6 | -57.8 | 176.8 | 0 | 0 | 0 | 111.1 | V97 M114 T116 L123 T140 D141 V143 Y173 | V97-L125 HydrophobicContact CG1-CD1 3.95Å; V97-L125 HydrophobicContact CG2-CD1 4.48Å; V97-L125 HydrophobicContact CG2-CD2 4.07Å; M114-L125 HydrophobicContact CB-CB 4.44Å; M114-L125 HydrophobicContact SD-CB 3.8Å; M114-L125 HydrophobicContact SD-CD1 4.14Å; M114-L125 HydrophobicContact SD-CG 4.46Å; T116-L125 HydrophobicContact CG2-CD2 3.72Å; T116-L125 WeakPolarHBondContact OG1-CD2 3.15Å; L123-L125 HydrophobicContact CD2-CD2 4.36Å; L123-L125 HydrophobicContact CG-CD2 4.38Å; L125-T140 WeakPolarHBondContact O-CA 3.48Å; L125-D141 HydrophobicContact CB-CB 4.22Å; L125-D141 WeakPolarHBondContact CB-O 3.47Å; L125-D141 HydrophobicContact CD1-CB 4.4Å; L125-D141 PolarHBondContact N-O 3.48Å; L125-D141 PolarHBondContact O-N 3.06Å; L125-D141 VanDerWaalsContact O-N 3.14Å; L125-V143 HydrophobicContact CD1-CG2 3.96Å; L125-Y173 HydrophobicContact CD1-CD1 4.42Å; L125-Y173 HydrophobicContact CD1-CE1 4.44Å |
| 126 | Y | 80.6 | Confident | 66.1 | Low | 59 Ų | 59 | 78.7 Ų | 78.7 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.4 | 178.9 | -53.5 | -92.8 | 0 | 0 | 0 | 110.8 | M114 W115 V117 L124 T140 | M114-Y126 CarbonylContact C-O 3.47Å; M114-Y126 VanDerWaalsContact CA-O 3.24Å; M114-Y126 WeakPolarHBondContact CA-O 3.45Å; M114-Y126 WeakPolarHBondContact CB-O 3.43Å; W115-Y126 AromaticContact CD1-CD2 3.91Å; W115-Y126 PolarHBondContact N-O 3.27Å; W115-Y126 PolarHBondContact O-N 3.45Å; V117-Y126 HydrophobicContact CB-CE2 4.4Å; V117-Y126 HydrophobicContact CG2-CD2 4.42Å; V117-Y126 HydrophobicContact CG2-CE2 4Å; L124-Y126 HydrophobicContact CB-CD2 4.48Å; L124-Y126 HydrophobicContact CB-CE2 3.64Å; L124-Y126 WeakPolarHBondContact CD1-OH 3.43Å; Y126-T140 HydrophobicContact CD1-CG2 4.12Å; Y126-T140 HydrophobicContact CE1-CG2 3.92Å |
| 127 | K | 72.8 | Confident | 63.8 | Low | 136 Ų | 136 | 82.4 Ų | 82.4 | 59% | 0.591 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -82.8 | -10.7 | 179.4 | -67 | -169.7 | 176.8 | -169.4 | 0 | 114.8 | ||
| 128 | D | 61.3 | Low | 61.7 | Low | 133 Ų | 133 | 84 Ų | 84 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -152.1 | 159.8 | -178 | -151.6 | -14.1 | 0 | 0 | 0 | 110.6 | Q130 | D128-Q130 PolarHBondContact O-N 3.34Š|
| 129 | K | 47.9 | Very low | 60 | Low | 111 Ų | 111 | 92.6 Ų | 92.6 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | trans | -78.7 | 110.3 | -174.3 | -172.7 | -167.2 | -174.7 | -168 | 0 | 110.8 | E131 | K129-E131 HydrophobicContact CD-CG 4.2Å; K129-E131 WeakPolarHBondContact CE-OE1 3.45Å; K129-E131 HydrophobicContact CG-CG 4.48Å; K129-E131 IonicContact NZ-OE1 2.6Å; K129-E131 PolarHBondContact NZ-OE1 3Å; K129-E131 PolarHBondContact O-N 2.96Å | ||
| 130 | Q | 48.8 | Very low | 58.8 | Low | 120 Ų | 120 | 93.4 Ų | 93.4 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | trans | -80.1 | 103.2 | 165.5 | -77.1 | -172.6 | 46.3 | 0 | 0 | 110.4 | D128 | D128-Q130 PolarHBondContact O-N 3.34Š| ||
| 131 | E | 41.8 | Very low | 58.7 | Low | 137 Ų | 137 | 92.8 Ų | 92.8 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | trans | -81.8 | 116.4 | 155 | -71.6 | -176 | 170.8 | 0 | 0 | 108.7 | K129 | K129-E131 HydrophobicContact CD-CG 4.2Å; K129-E131 WeakPolarHBondContact CE-OE1 3.45Å; K129-E131 HydrophobicContact CG-CG 4.48Å; K129-E131 IonicContact NZ-OE1 2.6Å; K129-E131 PolarHBondContact NZ-OE1 3Å; K129-E131 PolarHBondContact O-N 2.96Å | ||
| 132 | T | 41.1 | Very low | 58.9 | Low | 143 Ų | 143 | 92.9 Ų | 92.9 | 88% | 0.877 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 45.6 | 103.4 | 162.5 | 55.8 | 0 | 0 | 0 | 0 | 118.5 | ||
| 133 | G | 36.3 | Very low | 58.7 | Low | 64 Ų | 64 | 90 Ų | 90 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | trans | 127.5 | 136.2 | 152 | 0 | 0 | 0 | 0 | 0 | 116.3 | K135 | G133-K135 PolarHBondContact O-N 2.92Š| ||
| 134 | V | 43.2 | Very low | 58.5 | Low | 142 Ų | 142 | 94.6 Ų | 94.6 | 86% | 0.861 | 53% | 0.531 | S | S | * | . | trans | -63.1 | 116.6 | -174.6 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 135 | K | 33.6 | Very low | 58.3 | Low | 183 Ų | 183 | 93.3 Ų | 93.3 | 80% | 0.796 | 52% | 0.524 | S | S | * | . | trans | -169.4 | 139.2 | 136.4 | -106.7 | 166.5 | -173 | 179.1 | 0 | 112.2 | G133 | G133-K135 PolarHBondContact O-N 2.92Š| ||
| 136 | P | 44.1 | Very low | 57.8 | Low | 131 Ų | 131 | 95.1 Ų | 95.1 | 85% | 0.851 | 54% | 0.537 | S | S | * | . | trans | -88.2 | 129.9 | -174.8 | 33.8 | -32.9 | 0 | 0 | 0 | 112.4 | ||||
| 137 | G | 39 | Very low | 57.4 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | trans | -161.6 | -24.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 138 | G | 43.8 | Very low | 57.9 | Low | 59 Ų | 59 | 88.1 Ų | 88.1 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -75.8 | 141 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T140 | G138-T140 PolarHBondContact O-N 3.33Š|
| 139 | K | 49 | Very low | 59 | Low | 179 Ų | 179 | 85.7 Ų | 85.7 | 78% | 0.778 | 51% | 0.51 | S | S | * | . | trans | -67.3 | 96 | 170.7 | -70.2 | -175.1 | 178.7 | -176.9 | 0 | 109.9 | ||||
| 140 | T | 59.6 | Low | 61 | Low | 58 Ų | 58 | 81.3 Ų | 81.3 | 36% | 0.356 | 49% | 0.492 | S | S | . | . | trans | -78.7 | 125 | 168.9 | -47.5 | 0 | 0 | 0 | 0 | 109 | L125 Y126 G138 V142 | L125-T140 WeakPolarHBondContact O-CA 3.48Å; Y126-T140 HydrophobicContact CD1-CG2 4.12Å; Y126-T140 HydrophobicContact CE1-CG2 3.92Å; G138-T140 PolarHBondContact O-N 3.33Å; T140-V142 HydrophobicContact CG2-CG2 3.99Å | ||
| 141 | D | 71.3 | Confident | 62.9 | Low | 54 Ų | 54 | 81.3 Ų | 81.3 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114 | 168.8 | -156.2 | -15.7 | 0 | 0 | 0 | 106.2 | L125 Y173 | L125-D141 HydrophobicContact CB-CB 4.22Å; L125-D141 WeakPolarHBondContact CB-O 3.47Å; L125-D141 HydrophobicContact CD1-CB 4.4Å; L125-D141 PolarHBondContact N-O 3.48Å; L125-D141 PolarHBondContact O-N 3.06Å; L125-D141 VanDerWaalsContact O-N 3.14Å; D141-Y173 PolarHBondContact OD1-OH 3.35Å |
| 142 | V | 80 | Confident | 65.1 | Low | 69 Ų | 69 | 79.6 Ų | 79.6 | 42% | 0.418 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 113.7 | -177 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | E122 L124 T140 | E122-V142 HydrophobicContact CB-CG1 4.36Å; E122-V142 HydrophobicContact CG-CG1 4.43Å; L124-V142 HydrophobicContact CD2-CB 4.33Å; L124-V142 HydrophobicContact CD2-CG1 3.91Å; L124-V142 HydrophobicContact CD2-CG2 3.84Å; T140-V142 HydrophobicContact CG2-CG2 3.99Å |
| 143 | V | 81.9 | Confident | 67.2 | Low | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.018 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 102.1 | -178.2 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | L123 L125 L145 T167 Y173 | L123-V143 HydrophobicContact CB-CB 4.22Å; L123-V143 PolarHBondContact N-O 2.96Å; L123-V143 PolarHBondContact O-N 2.99Å; L125-V143 HydrophobicContact CD1-CG2 3.96Å; V143-L145 PolarHBondContact O-N 3.42Å; V143-T167 HydrophobicContact CG1-CG2 3.59Å; V143-Y173 HydrophobicContact CG1-CD2 4.17Å; V143-Y173 HydrophobicContact CG1-CE2 4.1Å; V143-Y173 HydrophobicContact CG2-CD1 4.13Å; V143-Y173 HydrophobicContact CG2-CD2 4.3Å; V143-Y173 HydrophobicContact CG2-CE1 3.69Å; V143-Y173 HydrophobicContact CG2-CE2 3.91Å; V143-Y173 HydrophobicContact CG2-CG 4.41Å |
| 144 | Q | 81.6 | Confident | 69 | Low | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.9 | 178.2 | -166.6 | 163 | 56.5 | 0 | 0 | 110.4 | C146 | Q144-C146 HydrophobicContact CG-CB 4.43Å |
| 145 | L | 82 | Confident | 70.4 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 43% | 0.427 | C | S | . | . | trans | -92.1 | -11.6 | -171.4 | -61.4 | 176.8 | 0 | 0 | 0 | 113.4 | L118 D121 L123 V143 G147 A148 I165 I190 T193 V194 | L118-L145 HydrophobicContact CD1-CD1 3.46Å; L118-L145 VanDerWaalsContact CD1-CD1 3.46Å; D121-L145 WeakPolarHBondContact O-CB 3.44Å; D121-L145 PolarHBondContact O-N 3.28Å; L123-L145 HydrophobicContact CB-CD1 4.29Å; L123-L145 HydrophobicContact CB-CD2 4.17Å; L123-L145 HydrophobicContact CB-CG 4.37Å; V143-L145 PolarHBondContact O-N 3.42Å; L145-G147 PolarHBondContact O-N 3.05Å; L145-A148 VanDerWaalsContact O-CB 3.3Å; L145-A148 WeakPolarHBondContact O-CB 3.41Å; L145-A148 PolarHBondContact O-N 3.4Å; L145-I165 HydrophobicContact CD2-CG2 4.38Å; L145-I190 HydrophobicContact CD1-CG2 4.24Å; L145-I190 HydrophobicContact CD2-CG2 4.03Å; L145-T193 HydrophobicContact CD1-CG2 3.76Å; L145-V194 HydrophobicContact CB-CG2 4.04Å | ||
| 146 | C | 74.8 | Confident | 72.1 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 106.5 | -177.5 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | Q144 A148 N168 | Q144-C146 HydrophobicContact CG-CB 4.43Å; C146-A148 VanDerWaalsContact C-N 3.31Å; C146-N168 PolarHBondContact O-ND2 3.33Å |
| 147 | G | 71.3 | Confident | 73.6 | Confident | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 20.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L145 | L145-G147 PolarHBondContact O-N 3.05Š|
| 148 | A | 84.3 | Confident | 75.2 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | trans | -71.7 | 159.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L145 C146 I165 T166 V194 | L145-A148 VanDerWaalsContact O-CB 3.3Å; L145-A148 WeakPolarHBondContact O-CB 3.41Å; L145-A148 PolarHBondContact O-N 3.4Å; C146-A148 VanDerWaalsContact C-N 3.31Å; A148-I165 HydrophobicContact CB-CG2 4.18Å; A148-T166 CarbonylContact C-O 3.43Å; A148-T166 WeakPolarHBondContact CA-O 3.48Å; A148-T166 WeakPolarHBondContact CB-O 3.44Å; A148-V194 HydrophobicContact CB-CG2 4.25Å; A148-V194 WeakPolarHBondContact O-CG1 3.49Å | ||
| 149 | V | 84.4 | Confident | 77 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.7 | 174.6 | -180 | 0 | 0 | 0 | 0 | 109.3 | E151 T166 | V149-E151 HydrophobicContact CG1-CG 4.24Å; V149-T166 PolarHBondContact N-O 2.63Å; V149-T166 PolarHBondContact O-N 2.99Å |
| 150 | I | 89.7 | Confident | 78.5 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.8 | 179.9 | -169.4 | 173.4 | 0 | 0 | 0 | 111.5 | F163 Q164 I165 H187 I190 R191 | I150-F163 HydrophobicContact CD1-CD2 3.78Å; I150-F163 HydrophobicContact CD1-CE2 4.02Å; I150-F163 HydrophobicContact CG1-CD2 4.08Å; I150-Q164 WeakPolarHBondContact CA-O 3.46Å; I150-I165 HydrophobicContact CD1-CG1 4.3Å; I150-I165 HydrophobicContact CG1-CG1 4.25Å; I150-H187 HydrophobicContact CD1-CB 4.42Å; I150-I190 HydrophobicContact CD1-CB 4Å; I150-I190 HydrophobicContact CD1-CG2 3.81Å; I150-R191 HydrophobicContact CG2-CB 3.89Å; I150-R191 HydrophobicContact CG2-CG 4.26Å |
| 151 | E | 88.1 | Confident | 79.8 | Confident | 120 Ų | 120 | 64.5 Ų | 64.5 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.9 | -178.2 | -68.7 | -177.6 | 162.2 | 0 | 0 | 111.1 | V149 A153 F163 Q164 | V149-E151 HydrophobicContact CG1-CG 4.24Å; E151-A153 PolarHBondContact O-N 3.29Å; E151-F163 CarbonylContact O-C 3.36Å; E151-F163 WeakPolarHBondContact O-CA 3.14Å; E151-Q164 PolarHBondContact N-O 3.05Å; E151-Q164 PolarHBondContact O-N 3.05Å |
| 152 | W | 88.5 | Confident | 80.7 | Confident | 101 Ų | 101 | 62.1 Ų | 62.1 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128 | 168.8 | -71.4 | 110.9 | 0 | 0 | 0 | 109.9 | F163 F180 A183 H187 | W152-F163 HydrophobicContact CD2-CB 4.4Å; W152-F163 HydrophobicContact CE3-CB 3.85Å; W152-F163 HydrophobicContact CE3-CD1 4.46Å; W152-F163 HydrophobicContact CH2-CD1 4.39Å; W152-F163 HydrophobicContact CZ3-CB 4.17Å; W152-F163 AromaticContact CZ3-CD1 3.91Å; W152-F163 HydrophobicContact CZ3-CD1 3.91Å; W152-F180 HydrophobicContact CH2-CE2 4.39Å; W152-A183 HydrophobicContact CH2-CB 3.97Å; W152-A183 HydrophobicContact CZ3-CB 4.16Å; W152-H187 AromaticContact CD1-CE1 3.81Å; W152-H187 AromaticContact CD1-NE2 3.81Å; W152-H187 AromaticContact CE2-CD2 4Å; W152-H187 AromaticContact CE2-CE1 3.58Å; W152-H187 AromaticContact CE2-CG 3.95Å; W152-H187 AromaticContact CE2-ND1 3.72Å; W152-H187 AromaticContact CE2-NE2 3.78Å; W152-H187 HydrophobicContact CH2-CB 4.12Å; W152-H187 HydrophobicContact CZ2-CB 4.02Å; W152-H187 AromaticContact CZ2-CE1 3.97Å; W152-H187 AromaticContact CZ2-CG 3.73Å; W152-H187 AromaticContact CZ2-ND1 3.61Å; W152-H187 AromaticContact NE1-CE1 3.19Å; W152-H187 PolarHBondContact NE1-CE1 3.47Å; W152-H187 AromaticContact NE1-ND1 3.72Å; W152-H187 AromaticContact NE1-NE2 3.57Å |
| 153 | A | 83.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | trans | -127.1 | 51 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E151 E155 K156 V162 Q164 L174 | E151-A153 PolarHBondContact O-N 3.29Å; A153-E155 PolarHBondContact O-N 3.23Å; A153-K156 HydrophobicContact CB-CB 4.45Å; A153-K156 HydrophobicContact CB-CD 4.31Å; A153-K156 PolarHBondContact O-N 3.11Å; A153-V162 PolarHBondContact N-O 2.92Å; A153-Q164 HydrophobicContact CB-CB 3.75Å; A153-L174 HydrophobicContact CB-CD2 4.19Å | ||
| 154 | A | 74.8 | Confident | 81.6 | Confident | 76 Ų | 76 | 59 Ų | 59 | 63% | 0.628 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -64.7 | -24.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 155 | E | 72.9 | Confident | 82.1 | Confident | 140 Ų | 140 | 54.3 Ų | 54.3 | 65% | 0.654 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -78.2 | -18.5 | 177.4 | 73.7 | -60.8 | 147.9 | 0 | 0 | 113.8 | A153 | A153-E155 PolarHBondContact O-N 3.23Š|
| 156 | K | 70.4 | Confident | 82.4 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -91.2 | -4.7 | -179.3 | -64.4 | 179.8 | -165.3 | -178.9 | 0 | 113.4 | K109 A153 L174 | K109-K156 PolarHBondContact NZ-O 2.96Å; A153-K156 HydrophobicContact CB-CB 4.45Å; A153-K156 HydrophobicContact CB-CD 4.31Å; A153-K156 PolarHBondContact O-N 3.11Å; K156-L174 HydrophobicContact CB-CD1 4.44Å; K156-L174 HydrophobicContact CB-CD2 4.47Å |
| 157 | S | 74.6 | Confident | 83 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | trans | -151.1 | 145.9 | 179.5 | -161.1 | 0 | 0 | 0 | 0 | 113.6 | W111 K159 | W111-S157 WeakPolarHBondContact CZ2-OG 3.41Å; S157-K159 PolarHBondContact O-N 2.9Å; S157-K159 PolarHBondContact OG-N 3.46Å | ||
| 158 | S | 73.3 | Confident | 83.4 | Confident | 128 Ų | 128 | 57.2 Ų | 57.2 | 90% | 0.895 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77.7 | -6.6 | 170.5 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 159 | K | 80.2 | Confident | 83.1 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -77.8 | 144.7 | 172.2 | -67.1 | -167.5 | 166.6 | -165 | 0 | 110.1 | W111 S157 V162 Q176 | W111-K159 HydrophobicContact CD2-CD 4.38Å; W111-K159 HydrophobicContact CZ2-CD 4.35Å; S157-K159 PolarHBondContact O-N 2.9Å; S157-K159 PolarHBondContact OG-N 3.46Å; K159-V162 HydrophobicContact CB-CG2 3.83Å; K159-V162 VanDerWaalsContact O-CG2 3.25Å; K159-V162 WeakPolarHBondContact O-CG2 3.4Å; K159-Q176 HydrophobicContact CB-CG 4.13Å; K159-Q176 HydrophobicContact CD-CG 3.98Å; K159-Q176 VanDerWaalsContact CD-OE1 3.24Å |
| 160 | K | 81.5 | Confident | 82.8 | Confident | 174 Ų | 174 | 58.3 Ų | 58.3 | 76% | 0.757 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -75.4 | 162.3 | 171.4 | -62.5 | -175.8 | 178.9 | -176.6 | 0 | 110.8 | V162 Q176 | K160-V162 PolarHBondContact O-N 2.8Å; K160-Q176 WeakPolarHBondContact O-CG 3.31Å |
| 161 | N | 87 | Confident | 82.7 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 57.1 | 46.2 | 173.6 | -40.6 | -33.3 | 0 | 0 | 0 | 113.8 | A177 D178 F180 A183 | N161-A177 WeakPolarHBondContact CB-O 3.44Å; N161-A177 PolarHBondContact ND2-O 3.42Å; N161-D178 PolarHBondContact ND2-O 3.46Å; N161-F180 PolarHBondContact ND2-N 2.6Å; N161-A183 HydrophobicContact CB-CB 3.74Å |
| 162 | V | 89.3 | Confident | 82.7 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.9 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | W111 A153 K159 K160 L174 I175 Q176 | W111-V162 HydrophobicContact CH2-CG1 4.15Å; W111-V162 HydrophobicContact CH2-CG2 4.5Å; A153-V162 PolarHBondContact N-O 2.92Å; K159-V162 HydrophobicContact CB-CG2 3.83Å; K159-V162 VanDerWaalsContact O-CG2 3.25Å; K159-V162 WeakPolarHBondContact O-CG2 3.4Å; K160-V162 PolarHBondContact O-N 2.8Å; V162-L174 HydrophobicContact CG1-CB 4.17Å; V162-L174 HydrophobicContact CG1-CD2 4.31Å; V162-I175 WeakPolarHBondContact CA-O 3.45Å; V162-Q176 HydrophobicContact CG2-CB 3.99Å; V162-Q176 HydrophobicContact CG2-CG 3.89Å |
| 163 | F | 90.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.1 | 169 | 57.5 | -87 | 0 | 0 | 0 | 110.8 | I150 E151 W152 I165 L174 I175 A183 W186 H187 I190 | I150-F163 HydrophobicContact CD1-CD2 3.78Å; I150-F163 HydrophobicContact CD1-CE2 4.02Å; I150-F163 HydrophobicContact CG1-CD2 4.08Å; E151-F163 CarbonylContact O-C 3.36Å; E151-F163 WeakPolarHBondContact O-CA 3.14Å; W152-F163 HydrophobicContact CD2-CB 4.4Å; W152-F163 HydrophobicContact CE3-CB 3.85Å; W152-F163 HydrophobicContact CE3-CD1 4.46Å; W152-F163 HydrophobicContact CH2-CD1 4.39Å; W152-F163 HydrophobicContact CZ3-CB 4.17Å; W152-F163 AromaticContact CZ3-CD1 3.91Å; W152-F163 HydrophobicContact CZ3-CD1 3.91Å; F163-I165 HydrophobicContact CD2-CG1 4.38Å; F163-I165 HydrophobicContact CE2-CD1 4.39Å; F163-I165 HydrophobicContact CE2-CG1 4.44Å; F163-L174 WeakPolarHBondContact O-CA 3.49Å; F163-I175 HydrophobicContact CD2-CB 4.16Å; F163-I175 HydrophobicContact CE1-CB 4.15Å; F163-I175 HydrophobicContact CE1-CG2 3.96Å; F163-I175 HydrophobicContact CE2-CB 3.69Å; F163-I175 HydrophobicContact CE2-CD1 4.03Å; F163-I175 HydrophobicContact CE2-CG1 4.23Å; F163-I175 HydrophobicContact CE2-CG2 4.02Å; F163-I175 HydrophobicContact CZ-CB 3.69Å; F163-I175 HydrophobicContact CZ-CD1 4.41Å; F163-I175 HydrophobicContact CZ-CG2 3.51Å; F163-I175 PolarHBondContact N-O 2.97Å; F163-I175 PolarHBondContact O-N 3.23Å; F163-A183 HydrophobicContact CE1-CB 4.46Å; F163-W186 HydrophobicContact CZ-CB 4.13Å; F163-H187 HydrophobicContact CD1-CB 4.13Å; F163-H187 HydrophobicContact CD2-CB 4.49Å; F163-H187 HydrophobicContact CE1-CB 4.18Å; F163-H187 HydrophobicContact CG-CB 4.28Å; F163-H187 HydrophobicContact CZ-CB 4.37Å; F163-I190 HydrophobicContact CE2-CD1 4.06Å; F163-I190 HydrophobicContact CZ-CD1 4.37Å |
| 164 | Q | 91.5 | Very high | 83.1 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.5 | 176.1 | 176.3 | 167.6 | -33.1 | 0 | 0 | 110 | I150 E151 A153 T166 E172 Y173 L174 | I150-Q164 WeakPolarHBondContact CA-O 3.46Å; E151-Q164 PolarHBondContact N-O 3.05Å; E151-Q164 PolarHBondContact O-N 3.05Å; A153-Q164 HydrophobicContact CB-CB 3.75Å; Q164-T166 PolarHBondContact NE2-OG1 3.36Å; Q164-E172 PolarHBondContact NE2-OE1 2.85Å; Q164-Y173 CarbonylContact C-O 3.59Å; Q164-Y173 VanDerWaalsContact CA-O 3.32Å; Q164-Y173 WeakPolarHBondContact CA-O 2.76Å; Q164-L174 HydrophobicContact CB-CD2 3.8Å; Q164-L174 HydrophobicContact CG-CD2 4.21Å |
| 165 | I | 90.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.6 | 162.8 | -56.2 | 175.6 | 0 | 0 | 0 | 107.7 | L123 L145 A148 I150 F163 Y173 I175 I190 | L123-I165 HydrophobicContact CD2-CD1 3.84Å; L145-I165 HydrophobicContact CD2-CG2 4.38Å; A148-I165 HydrophobicContact CB-CG2 4.18Å; I150-I165 HydrophobicContact CD1-CG1 4.3Å; I150-I165 HydrophobicContact CG1-CG1 4.25Å; F163-I165 HydrophobicContact CD2-CG1 4.38Å; F163-I165 HydrophobicContact CE2-CD1 4.39Å; F163-I165 HydrophobicContact CE2-CG1 4.44Å; I165-Y173 PolarHBondContact N-O 3.21Å; I165-Y173 PolarHBondContact O-N 3.02Å; I165-I175 HydrophobicContact CD1-CD1 3.57Å; I165-I175 HydrophobicContact CD1-CG1 4.44Å; I165-I175 HydrophobicContact CG1-CD1 4.43Å; I165-I190 HydrophobicContact CD1-CD1 4.04Å; I165-I190 HydrophobicContact CD1-CG2 3.96Å |
| 166 | T | 87.9 | Confident | 84.8 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.6 | 175.4 | -48.6 | 0 | 0 | 0 | 0 | 108.3 | A148 V149 Q164 S171 E172 | A148-T166 CarbonylContact C-O 3.43Å; A148-T166 WeakPolarHBondContact CA-O 3.48Å; A148-T166 WeakPolarHBondContact CB-O 3.44Å; V149-T166 PolarHBondContact N-O 2.63Å; V149-T166 PolarHBondContact O-N 2.99Å; Q164-T166 PolarHBondContact NE2-OG1 3.36Å; T166-S171 WeakPolarHBondContact CA-O 3.34Å; T166-E172 HydrophobicContact CG2-CG 4.14Å |
| 167 | T | 87 | Confident | 85.7 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | trans | -75.7 | 160.4 | -179.8 | 61 | 0 | 0 | 0 | 0 | 111.8 | V143 T169 G170 S171 Y173 | V143-T167 HydrophobicContact CG1-CG2 3.59Å; T167-T169 PolarHBondContact O-N 3.22Å; T167-T169 PolarHBondContact OG1-OG1 3.46Å; T167-G170 PolarHBondContact O-N 2.86Å; T167-S171 PolarHBondContact N-O 3.47Å; T167-S171 WeakPolarHBondContact OG1-CB 3.42Å; T167-S171 PolarHBondContact OG1-N 3.01Å; T167-S171 VanDerWaalsContact OG1-N 3.08Å; T167-S171 PolarHBondContact OG1-O 3.03Å; T167-Y173 HydrophobicContact CG2-CE2 4.33Å | ||
| 168 | N | 81.4 | Confident | 86.2 | Confident | 95 Ų | 95 | 42.1 Ų | 42.1 | 51% | 0.508 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.6 | 170.3 | 60.8 | 9.7 | 0 | 0 | 0 | 113.4 | C146 G170 | C146-N168 PolarHBondContact O-ND2 3.33Å; N168-G170 PolarHBondContact O-N 2.96Å |
| 169 | T | 78.1 | Confident | 86.8 | Confident | 82 Ų | 82 | 38.2 Ų | 38.2 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -3.5 | 173.6 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | T167 S171 | T167-T169 PolarHBondContact O-N 3.22Å; T167-T169 PolarHBondContact OG1-OG1 3.46Å; T169-S171 VanDerWaalsContact C-N 3.35Å |
| 170 | G | 77.8 | Confident | 87.1 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 75.4 | 22.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S101 G104 T167 N168 | S101-G170 PolarHBondContact OG-O 3.46Å; G104-G170 PolarHBondContact N-O 2.74Å; T167-G170 PolarHBondContact O-N 2.86Å; N168-G170 PolarHBondContact O-N 2.96Å |
| 171 | S | 86.2 | Confident | 87.4 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | trans | -87.2 | 137.2 | 168.1 | -63 | 0 | 0 | 0 | 0 | 109.7 | S101 N103 T166 T167 T169 | S101-S171 WeakPolarHBondContact O-CA 3.38Å; N103-S171 PolarHBondContact N-OG 3Å; N103-S171 PolarHBondContact OD1-OG 3.46Å; T166-S171 WeakPolarHBondContact CA-O 3.34Å; T167-S171 PolarHBondContact N-O 3.47Å; T167-S171 WeakPolarHBondContact OG1-CB 3.42Å; T167-S171 PolarHBondContact OG1-N 3.01Å; T167-S171 VanDerWaalsContact OG1-N 3.08Å; T167-S171 PolarHBondContact OG1-O 3.03Å; T169-S171 VanDerWaalsContact C-N 3.35Å | ||
| 172 | E | 89.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 37 Ų | 37 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124 | -175.7 | -68.5 | -177.3 | 122.3 | 0 | 0 | 109.3 | I100 S101 Q164 T166 | I100-E172 HydrophobicContact CD1-CB 4.04Å; I100-E172 HydrophobicContact CG1-CB 3.53Å; I100-E172 WeakPolarHBondContact CG1-O 3.41Å; I100-E172 PolarHBondContact N-O 3.38Å; S101-E172 WeakPolarHBondContact CB-OE2 3.19Å; S101-E172 PolarHBondContact N-O 2.91Å; S101-E172 PolarHBondContact O-N 3.04Å; Q164-E172 PolarHBondContact NE2-OE1 2.85Å; T166-E172 HydrophobicContact CG2-CG 4.14Å |
| 173 | Y | 89.9 | Confident | 87.3 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 4% | 0.039 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.6 | 179.6 | -66 | -101.7 | 0 | 0 | 0 | 109.4 | V97 K99 L125 D141 V143 Q164 I165 T167 | V97-Y173 HydrophobicContact CG1-CD1 4.22Å; K99-Y173 HydrophobicContact CB-CD1 4.05Å; K99-Y173 HydrophobicContact CB-CE1 4.04Å; K99-Y173 HydrophobicContact CD-CD1 4.44Å; K99-Y173 HydrophobicContact CD-CE1 3.67Å; K99-Y173 HydrophobicContact CD-CE2 4.38Å; K99-Y173 VanDerWaalsContact CE-OH 3.3Å; K99-Y173 WeakPolarHBondContact CE-OH 3.22Å; K99-Y173 HydrophobicContact CG-CD1 4.11Å; K99-Y173 HydrophobicContact CG-CE1 3.84Å; K99-Y173 HydrophobicContact CG-CE2 4.46Å; K99-Y173 PolarHBondContact NZ-OH 3.3Å; L125-Y173 HydrophobicContact CD1-CD1 4.42Å; L125-Y173 HydrophobicContact CD1-CE1 4.44Å; D141-Y173 PolarHBondContact OD1-OH 3.35Å; V143-Y173 HydrophobicContact CG1-CD2 4.17Å; V143-Y173 HydrophobicContact CG1-CE2 4.1Å; V143-Y173 HydrophobicContact CG2-CD1 4.13Å; V143-Y173 HydrophobicContact CG2-CD2 4.3Å; V143-Y173 HydrophobicContact CG2-CE1 3.69Å; V143-Y173 HydrophobicContact CG2-CE2 3.91Å; V143-Y173 HydrophobicContact CG2-CG 4.41Å; Q164-Y173 CarbonylContact C-O 3.59Å; Q164-Y173 VanDerWaalsContact CA-O 3.32Å; Q164-Y173 WeakPolarHBondContact CA-O 2.76Å; I165-Y173 PolarHBondContact N-O 3.21Å; I165-Y173 PolarHBondContact O-N 3.02Å; T167-Y173 HydrophobicContact CG2-CE2 4.33Å |
| 174 | L | 90.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.8 | 168.2 | -60.8 | 178.7 | 0 | 0 | 0 | 109.1 | V97 A98 I100 K109 W111 A153 K156 V162 F163 Q164 | V97-L174 CarbonylContact C-O 3.59Å; V97-L174 VanDerWaalsContact CA-O 3.32Å; V97-L174 WeakPolarHBondContact CA-O 3.27Å; A98-L174 HydrophobicContact CB-CB 4.49Å; A98-L174 PolarHBondContact N-O 2.87Å; A98-L174 PolarHBondContact O-N 3.08Å; I100-L174 HydrophobicContact CD1-CD1 4.14Å; I100-L174 HydrophobicContact CD1-CD2 4.04Å; I100-L174 HydrophobicContact CD1-CG 3.89Å; I100-L174 HydrophobicContact CG1-CG 4.34Å; I100-L174 HydrophobicContact CG2-CD1 3.86Å; I100-L174 HydrophobicContact CG2-CG 4.09Å; K109-L174 HydrophobicContact CD-CD1 3.85Å; W111-L174 HydrophobicContact CH2-CB 3.66Å; W111-L174 HydrophobicContact CH2-CD1 4.27Å; W111-L174 HydrophobicContact CZ2-CB 4.42Å; W111-L174 HydrophobicContact CZ2-CD1 4.25Å; W111-L174 HydrophobicContact CZ3-CB 4.17Å; A153-L174 HydrophobicContact CB-CD2 4.19Å; K156-L174 HydrophobicContact CB-CD1 4.44Å; K156-L174 HydrophobicContact CB-CD2 4.47Å; V162-L174 HydrophobicContact CG1-CB 4.17Å; V162-L174 HydrophobicContact CG1-CD2 4.31Å; F163-L174 WeakPolarHBondContact O-CA 3.49Å; Q164-L174 HydrophobicContact CB-CD2 3.8Å; Q164-L174 HydrophobicContact CG-CD2 4.21Å |
| 175 | I | 90.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.8 | 176.1 | -56.6 | -169.9 | 0 | 0 | 0 | 108.9 | L95 N96 V97 L123 V162 F163 I165 | L95-I175 HydrophobicContact CB-CG2 3.97Å; L95-I175 HydrophobicContact CD1-CG2 3.72Å; L95-I175 HydrophobicContact CG-CG2 4.38Å; N96-I175 CarbonylContact O-C 3.54Å; V97-I175 HydrophobicContact CG1-CG1 4.35Å; V97-I175 HydrophobicContact CG2-CG1 4.2Å; L123-I175 HydrophobicContact CD2-CD1 3.61Å; V162-I175 WeakPolarHBondContact CA-O 3.45Å; F163-I175 HydrophobicContact CD2-CB 4.16Å; F163-I175 HydrophobicContact CE1-CB 4.15Å; F163-I175 HydrophobicContact CE1-CG2 3.96Å; F163-I175 HydrophobicContact CE2-CB 3.69Å; F163-I175 HydrophobicContact CE2-CD1 4.03Å; F163-I175 HydrophobicContact CE2-CG1 4.23Å; F163-I175 HydrophobicContact CE2-CG2 4.02Å; F163-I175 HydrophobicContact CZ-CB 3.69Å; F163-I175 HydrophobicContact CZ-CD1 4.41Å; F163-I175 HydrophobicContact CZ-CG2 3.51Å; F163-I175 PolarHBondContact N-O 2.97Å; F163-I175 PolarHBondContact O-N 3.23Å; I165-I175 HydrophobicContact CD1-CD1 3.57Å; I165-I175 HydrophobicContact CD1-CG1 4.44Å; I165-I175 HydrophobicContact CG1-CD1 4.43Å |
| 176 | Q | 92.5 | Very high | 87.1 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 131.8 | -179.9 | -178 | -100.6 | -48.8 | 0 | 0 | 110.9 | N96 W111 K159 K160 V162 D178 | N96-Q176 HydrophobicContact CB-CB 4.11Å; N96-Q176 VanDerWaalsContact CB-OE1 3.31Å; N96-Q176 PolarHBondContact N-O 3.03Å; N96-Q176 PolarHBondContact ND2-OE1 2.78Å; N96-Q176 PolarHBondContact O-N 3.46Å; W111-Q176 HydrophobicContact CH2-CB 4.21Å; W111-Q176 HydrophobicContact CZ3-CB 3.91Å; K159-Q176 HydrophobicContact CB-CG 4.13Å; K159-Q176 HydrophobicContact CD-CG 3.98Å; K159-Q176 VanDerWaalsContact CD-OE1 3.24Å; K160-Q176 WeakPolarHBondContact O-CG 3.31Å; V162-Q176 HydrophobicContact CG2-CB 3.99Å; V162-Q176 HydrophobicContact CG2-CG 3.89Å; Q176-D178 PolarHBondContact NE2-OD1 3.31Å |
| 177 | A | 89 | Confident | 87.3 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | trans | -112.9 | 151.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L95 N161 S179 T182 A183 | L95-A177 HydrophobicContact CD2-CB 3.81Å; N161-A177 WeakPolarHBondContact CB-O 3.44Å; N161-A177 PolarHBondContact ND2-O 3.42Å; A177-S179 VanDerWaalsContact C-N 3.3Å; A177-S179 PolarHBondContact O-N 2.74Å; A177-T182 HydrophobicContact CB-CG2 3.69Å; A177-A183 HydrophobicContact CB-CB 3.99Å | ||
| 178 | D | 85.1 | Confident | 87.4 | Confident | 136 Ų | 136 | 46.4 Ų | 46.4 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -75.4 | -22.6 | -175.7 | -61.2 | -35.2 | 0 | 0 | 0 | 112.5 | N161 Q176 | N161-D178 PolarHBondContact ND2-O 3.46Å; Q176-D178 PolarHBondContact NE2-OD1 3.31Å |
| 179 | S | 85.9 | Confident | 87.7 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -108.7 | 144.7 | 172.2 | 100.5 | 0 | 0 | 0 | 0 | 112 | A177 P181 T182 A183 | A177-S179 VanDerWaalsContact C-N 3.3Å; A177-S179 PolarHBondContact O-N 2.74Å; S179-P181 WeakPolarHBondContact OG-CD 3.41Å; S179-T182 VanDerWaalsContact OG-CB 3.24Å; S179-T182 WeakPolarHBondContact OG-CB 3.28Å; S179-T182 PolarHBondContact OG-N 3.3Å; S179-T182 PolarHBondContact OG-OG1 2.94Å; S179-A183 PolarHBondContact O-N 3.34Å |
| 180 | F | 86.9 | Confident | 88.1 | Confident | 119 Ų | 119 | 38.5 Ų | 38.5 | 52% | 0.522 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 173.3 | 178.6 | -96.3 | 0 | 0 | 0 | 112.7 | W152 N161 T182 A183 S184 | W152-F180 HydrophobicContact CH2-CE2 4.39Å; N161-F180 PolarHBondContact ND2-N 2.6Å; F180-T182 VanDerWaalsContact C-N 3.32Å; F180-T182 PolarHBondContact O-N 3.31Å; F180-A183 PolarHBondContact O-N 3.34Å; F180-S184 WeakPolarHBondContact O-CB 3.24Å; F180-S184 PolarHBondContact O-N 2.9Å |
| 181 | P | 87.7 | Confident | 88.6 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57 | -42 | 174.1 | -27.5 | 36.2 | 0 | 0 | 0 | 113.3 | S179 S184 K185 | S179-P181 WeakPolarHBondContact OG-CD 3.41Å; P181-S184 PolarHBondContact O-N 2.96Å; P181-K185 VanDerWaalsContact O-CB 3.25Å; P181-K185 WeakPolarHBondContact O-CB 3.42Å; P181-K185 PolarHBondContact O-N 2.88Å |
| 182 | T | 86.4 | Confident | 88.6 | Confident | 41 Ų | 41 | 48 Ų | 48 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.2 | -49.2 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | E93 L95 A177 S179 F180 S184 K185 W186 | E93-T182 VanDerWaalsContact OE2-CG2 3.28Å; E93-T182 WeakPolarHBondContact OE2-CG2 3.34Å; L95-T182 HydrophobicContact CD2-CG2 4.33Å; A177-T182 HydrophobicContact CB-CG2 3.69Å; S179-T182 VanDerWaalsContact OG-CB 3.24Å; S179-T182 WeakPolarHBondContact OG-CB 3.28Å; S179-T182 PolarHBondContact OG-N 3.3Å; S179-T182 PolarHBondContact OG-OG1 2.94Å; F180-T182 VanDerWaalsContact C-N 3.32Å; F180-T182 PolarHBondContact O-N 3.31Å; T182-S184 VanDerWaalsContact C-N 3.33Å; T182-S184 PolarHBondContact O-N 3.45Å; T182-K185 PolarHBondContact O-N 2.89Å; T182-W186 VanDerWaalsContact O-CD1 3.28Å; T182-W186 PolarHBondContact O-N 3.21Å |
| 183 | A | 87.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W152 N161 F163 A177 S179 F180 W186 H187 | W152-A183 HydrophobicContact CH2-CB 3.97Å; W152-A183 HydrophobicContact CZ3-CB 4.16Å; N161-A183 HydrophobicContact CB-CB 3.74Å; F163-A183 HydrophobicContact CE1-CB 4.46Å; A177-A183 HydrophobicContact CB-CB 3.99Å; S179-A183 PolarHBondContact O-N 3.34Å; F180-A183 PolarHBondContact O-N 3.34Å; A183-W186 PolarHBondContact O-N 2.98Å; A183-H187 WeakPolarHBondContact O-CB 3.39Å; A183-H187 PolarHBondContact O-N 3.32Å |
| 184 | S | 88.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 179 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | F180 P181 T182 W186 H187 E188 | F180-S184 WeakPolarHBondContact O-CB 3.24Å; F180-S184 PolarHBondContact O-N 2.9Å; P181-S184 PolarHBondContact O-N 2.96Å; T182-S184 VanDerWaalsContact C-N 3.33Å; T182-S184 PolarHBondContact O-N 3.45Å; S184-W186 PolarHBondContact O-N 2.93Å; S184-H187 PolarHBondContact O-N 3.04Å; S184-E188 VanDerWaalsContact O-CB 3.29Å; S184-E188 WeakPolarHBondContact O-CB 3.31Å; S184-E188 PolarHBondContact O-N 3.39Å |
| 185 | K | 90 | Very high | 87.8 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55 | -49.9 | 174.7 | 174.7 | -168.5 | 170.5 | -167.2 | 0 | 111.5 | E93 P181 T182 A189 | E93-K185 IonicContact OE1-NZ 2.82Å; E93-K185 PolarHBondContact OE1-NZ 2.98Å; P181-K185 VanDerWaalsContact O-CB 3.25Å; P181-K185 WeakPolarHBondContact O-CB 3.42Å; P181-K185 PolarHBondContact O-N 2.88Å; T182-K185 PolarHBondContact O-N 2.89Å; K185-A189 VanDerWaalsContact O-CB 3.3Å; K185-A189 WeakPolarHBondContact O-CB 3.39Å; K185-A189 PolarHBondContact O-N 3.08Å |
| 186 | W | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 179 | -82.5 | 96.3 | 0 | 0 | 0 | 112.7 | L90 E93 L95 T116 L118 L123 F163 T182 A183 S184 A189 I190 | L90-W186 HydrophobicContact CB-CH2 4.4Å; E93-W186 HydrophobicContact CB-CZ2 3.8Å; E93-W186 HydrophobicContact CG-CZ2 4.05Å; E93-W186 PolarHBondContact OE2-NE1 2.8Å; L95-W186 HydrophobicContact CD1-CB 4.46Å; L95-W186 HydrophobicContact CD1-CD2 3.74Å; L95-W186 HydrophobicContact CD1-CE3 4.07Å; L95-W186 HydrophobicContact CD1-CG 3.89Å; T116-W186 HydrophobicContact CG2-CE3 4.31Å; T116-W186 HydrophobicContact CG2-CH2 4.13Å; T116-W186 HydrophobicContact CG2-CZ3 3.75Å; T116-W186 VanDerWaalsContact O-CH2 3.23Å; T116-W186 WeakPolarHBondContact O-CH2 3.32Å; L118-W186 HydrophobicContact CB-CZ3 3.83Å; L123-W186 HydrophobicContact CD1-CZ3 4.17Å; F163-W186 HydrophobicContact CZ-CB 4.13Å; T182-W186 VanDerWaalsContact O-CD1 3.28Å; T182-W186 PolarHBondContact O-N 3.21Å; A183-W186 PolarHBondContact O-N 2.98Å; S184-W186 PolarHBondContact O-N 2.93Å; W186-A189 PolarHBondContact O-N 2.76Å; W186-I190 HydrophobicContact CE3-CD1 4.23Å; W186-I190 WeakPolarHBondContact O-CB 3.35Å; W186-I190 WeakPolarHBondContact O-CD1 3.23Å; W186-I190 WeakPolarHBondContact O-CG1 3.36Å; W186-I190 PolarHBondContact O-N 3.42Å |
| 187 | H | 91.1 | Very high | 85.7 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 178.4 | 169.3 | -95.5 | 0 | 0 | 0 | 112.4 | I150 W152 F163 A183 S184 R191 | I150-H187 HydrophobicContact CD1-CB 4.42Å; W152-H187 AromaticContact CD1-CE1 3.81Å; W152-H187 AromaticContact CD1-NE2 3.81Å; W152-H187 AromaticContact CE2-CD2 4Å; W152-H187 AromaticContact CE2-CE1 3.58Å; W152-H187 AromaticContact CE2-CG 3.95Å; W152-H187 AromaticContact CE2-ND1 3.72Å; W152-H187 AromaticContact CE2-NE2 3.78Å; W152-H187 HydrophobicContact CH2-CB 4.12Å; W152-H187 HydrophobicContact CZ2-CB 4.02Å; W152-H187 AromaticContact CZ2-CE1 3.97Å; W152-H187 AromaticContact CZ2-CG 3.73Å; W152-H187 AromaticContact CZ2-ND1 3.61Å; W152-H187 AromaticContact NE1-CE1 3.19Å; W152-H187 PolarHBondContact NE1-CE1 3.47Å; W152-H187 AromaticContact NE1-ND1 3.72Å; W152-H187 AromaticContact NE1-NE2 3.57Å; F163-H187 HydrophobicContact CD1-CB 4.13Å; F163-H187 HydrophobicContact CD2-CB 4.49Å; F163-H187 HydrophobicContact CE1-CB 4.18Å; F163-H187 HydrophobicContact CG-CB 4.28Å; F163-H187 HydrophobicContact CZ-CB 4.37Å; A183-H187 WeakPolarHBondContact O-CB 3.39Å; A183-H187 PolarHBondContact O-N 3.32Å; S184-H187 PolarHBondContact O-N 3.04Å; H187-R191 PolarHBondContact CE1-NH2 3.47Å; H187-R191 VanDerWaalsContact O-CB 3.24Å; H187-R191 WeakPolarHBondContact O-CB 3.3Å; H187-R191 PolarHBondContact O-N 2.93Å |
| 188 | E | 89.1 | Confident | 84.1 | Confident | 126 Ų | 126 | 56.9 Ų | 56.9 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.5 | -42.5 | 175.8 | -174.2 | 175.9 | 179.5 | 0 | 0 | 112.2 | S184 R191 K192 | S184-E188 VanDerWaalsContact O-CB 3.29Å; S184-E188 WeakPolarHBondContact O-CB 3.31Å; S184-E188 PolarHBondContact O-N 3.39Å; E188-R191 PolarHBondContact O-N 2.9Å; E188-K192 WeakPolarHBondContact O-CB 3.27Å; E188-K192 PolarHBondContact O-N 2.81Å |
| 189 | A | 87.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -48.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L90 L118 K185 W186 R191 K192 T193 | L90-A189 HydrophobicContact CD1-CB 3.33Å; L118-A189 HydrophobicContact CD2-CB 3.71Å; K185-A189 VanDerWaalsContact O-CB 3.3Å; K185-A189 WeakPolarHBondContact O-CB 3.39Å; K185-A189 PolarHBondContact O-N 3.08Å; W186-A189 PolarHBondContact O-N 2.76Å; A189-R191 VanDerWaalsContact C-N 3.34Å; A189-R191 PolarHBondContact O-N 3.31Å; A189-K192 WeakPolarHBondContact O-CB 3.33Å; A189-K192 PolarHBondContact O-N 3.16Å; A189-K192 VanDerWaalsContact O-N 3.17Å; A189-T193 PolarHBondContact O-N 3.39Å; A189-T193 PolarHBondContact O-OG1 3.01Å; A189-T193 VanDerWaalsContact O-OG1 3.1Å |
| 190 | I | 88 | Confident | 80.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.5 | -66.2 | 166.9 | 0 | 0 | 0 | 110.6 | L118 L123 L145 I150 F163 I165 W186 K192 T193 V194 | L118-I190 HydrophobicContact CD1-CG1 4.12Å; L118-I190 HydrophobicContact CD2-CG1 4.11Å; L123-I190 HydrophobicContact CD1-CD1 3.94Å; L123-I190 HydrophobicContact CD1-CG1 4.22Å; L123-I190 HydrophobicContact CD2-CD1 4.15Å; L145-I190 HydrophobicContact CD1-CG2 4.24Å; L145-I190 HydrophobicContact CD2-CG2 4.03Å; I150-I190 HydrophobicContact CD1-CB 4Å; I150-I190 HydrophobicContact CD1-CG2 3.81Å; F163-I190 HydrophobicContact CE2-CD1 4.06Å; F163-I190 HydrophobicContact CZ-CD1 4.37Å; I165-I190 HydrophobicContact CD1-CD1 4.04Å; I165-I190 HydrophobicContact CD1-CG2 3.96Å; W186-I190 HydrophobicContact CE3-CD1 4.23Å; W186-I190 WeakPolarHBondContact O-CB 3.35Å; W186-I190 WeakPolarHBondContact O-CD1 3.23Å; W186-I190 WeakPolarHBondContact O-CG1 3.36Å; W186-I190 PolarHBondContact O-N 3.42Å; I190-K192 PolarHBondContact O-N 2.68Å; I190-T193 WeakPolarHBondContact O-CB 3.1Å; I190-T193 PolarHBondContact O-N 3.44Å; I190-V194 HydrophobicContact CG2-CG2 4.45Å; I190-V194 VanDerWaalsContact O-CG2 3.32Å; I190-V194 WeakPolarHBondContact O-CG2 3.26Å; I190-V194 PolarHBondContact O-N 3.29Å |
| 191 | R | 88.3 | Confident | 78.3 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 173.4 | 178.5 | -171.5 | -69.3 | 164 | -16 | 111.3 | I150 H187 E188 A189 T193 V194 D195 | I150-R191 HydrophobicContact CG2-CB 3.89Å; I150-R191 HydrophobicContact CG2-CG 4.26Å; H187-R191 PolarHBondContact CE1-NH2 3.47Å; H187-R191 VanDerWaalsContact O-CB 3.24Å; H187-R191 WeakPolarHBondContact O-CB 3.3Å; H187-R191 PolarHBondContact O-N 2.93Å; E188-R191 PolarHBondContact O-N 2.9Å; A189-R191 VanDerWaalsContact C-N 3.34Å; A189-R191 PolarHBondContact O-N 3.31Å; R191-T193 VanDerWaalsContact C-N 3.28Å; R191-T193 PolarHBondContact O-N 3.43Å; R191-V194 WeakPolarHBondContact O-CB 3.5Å; R191-V194 PolarHBondContact O-N 2.97Å; R191-D195 WeakPolarHBondContact CG-OD2 3.18Å; R191-D195 WeakPolarHBondContact O-CB 3.5Å; R191-D195 VanDerWaalsContact O-CG 3.29Å; R191-D195 PolarHBondContact O-N 2.93Å |
| 192 | K | 85.8 | Confident | 75.7 | Confident | 126 Ų | 126 | 71 Ų | 71 | 55% | 0.548 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 179.5 | -173.4 | 177.8 | 178.8 | -178.2 | 0 | 111.6 | E188 A189 I190 D195 S196 | E188-K192 WeakPolarHBondContact O-CB 3.27Å; E188-K192 PolarHBondContact O-N 2.81Å; A189-K192 WeakPolarHBondContact O-CB 3.33Å; A189-K192 PolarHBondContact O-N 3.16Å; A189-K192 VanDerWaalsContact O-N 3.17Å; I190-K192 PolarHBondContact O-N 2.68Å; K192-D195 PolarHBondContact O-N 3.37Å; K192-S196 PolarHBondContact O-N 3.15Å; K192-S196 PolarHBondContact O-OG 2.92Å |
| 193 | T | 84.7 | Confident | 73.1 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 174.3 | -58 | 0 | 0 | 0 | 0 | 112.4 | L118 T120 L145 A189 I190 R191 S196 S197 | L118-T193 HydrophobicContact CD1-CG2 4.19Å; T120-T193 WeakPolarHBondContact O-CG2 3.45Å; L145-T193 HydrophobicContact CD1-CG2 3.76Å; A189-T193 PolarHBondContact O-N 3.39Å; A189-T193 PolarHBondContact O-OG1 3.01Å; A189-T193 VanDerWaalsContact O-OG1 3.1Å; I190-T193 WeakPolarHBondContact O-CB 3.1Å; I190-T193 PolarHBondContact O-N 3.44Å; R191-T193 VanDerWaalsContact C-N 3.28Å; R191-T193 PolarHBondContact O-N 3.43Å; T193-S196 WeakPolarHBondContact CA-OG 3.15Å; T193-S196 PolarHBondContact O-N 2.93Å; T193-S196 PolarHBondContact O-OG 3.48Å; T193-S197 PolarHBondContact O-N 2.99Å |
| 194 | V | 85.2 | Confident | 70.4 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 6% | 0.055 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.1 | -51.8 | 173.3 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | L145 A148 I190 R191 S196 S197 T198 | L145-V194 HydrophobicContact CB-CG2 4.04Å; A148-V194 HydrophobicContact CB-CG2 4.25Å; A148-V194 WeakPolarHBondContact O-CG1 3.49Å; I190-V194 HydrophobicContact CG2-CG2 4.45Å; I190-V194 VanDerWaalsContact O-CG2 3.32Å; I190-V194 WeakPolarHBondContact O-CG2 3.26Å; I190-V194 PolarHBondContact O-N 3.29Å; R191-V194 WeakPolarHBondContact O-CB 3.5Å; R191-V194 PolarHBondContact O-N 2.97Å; V194-S196 PolarHBondContact O-N 3.29Å; V194-S197 PolarHBondContact O-N 2.95Å; V194-S197 VanDerWaalsContact O-N 3.14Å; V194-S197 PolarHBondContact O-OG 3.24Å; V194-T198 PolarHBondContact O-N 2.76Å |
| 195 | D | 82.6 | Confident | 67.9 | Low | 89 Ų | 89 | 85 Ų | 85 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | -177.5 | -67.6 | -23.3 | 0 | 0 | 0 | 111.6 | R191 K192 T198 | R191-D195 WeakPolarHBondContact CG-OD2 3.18Å; R191-D195 WeakPolarHBondContact O-CB 3.5Å; R191-D195 VanDerWaalsContact O-CG 3.29Å; R191-D195 PolarHBondContact O-N 2.93Å; K192-D195 PolarHBondContact O-N 3.37Å; D195-T198 PolarHBondContact O-N 3.38Å; D195-T198 PolarHBondContact O-OG1 3.2Å |
| 196 | S | 76.8 | Confident | 65.3 | Low | 46 Ų | 46 | 88.6 Ų | 88.6 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | K192 T193 V194 T198 R199 | K192-S196 PolarHBondContact O-N 3.15Å; K192-S196 PolarHBondContact O-OG 2.92Å; T193-S196 WeakPolarHBondContact CA-OG 3.15Å; T193-S196 PolarHBondContact O-N 2.93Å; T193-S196 PolarHBondContact O-OG 3.48Å; V194-S196 PolarHBondContact O-N 3.29Å; S196-T198 PolarHBondContact O-N 3.38Å; S196-T198 VanDerWaalsContact O-N 3.13Å; S196-R199 PolarHBondContact O-N 3.4Å |
| 197 | S | 62.3 | Low | 62.4 | Low | 25 Ų | 25 | 99.9 Ų | 99.9 | 18% | 0.175 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -64.4 | -16.3 | 179.2 | 77.3 | 0 | 0 | 0 | 0 | 114 | T193 V194 | T193-S197 PolarHBondContact O-N 2.99Å; V194-S197 PolarHBondContact O-N 2.95Å; V194-S197 VanDerWaalsContact O-N 3.14Å; V194-S197 PolarHBondContact O-OG 3.24Å |
| 198 | T | 57.3 | Low | 59.5 | Low | 88 Ų | 88 | 110.8 Ų | 110.8 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -8.4 | 179.9 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | V194 D195 S196 | V194-T198 PolarHBondContact O-N 2.76Å; D195-T198 PolarHBondContact O-N 3.38Å; D195-T198 PolarHBondContact O-OG1 3.2Å; S196-T198 PolarHBondContact O-N 3.38Å; S196-T198 VanDerWaalsContact O-N 3.13Å |
| 199 | R | 50.7 | Low | 56.6 | Low | 218 Ų | 218 | 108.6 Ų | 108.6 | 82% | 0.823 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -84.3 | -20.4 | -177 | -68.7 | -175.4 | 72.7 | -178.6 | 2 | 114.3 | S196 G201 | S196-R199 PolarHBondContact O-N 3.4Å; R199-G201 PolarHBondContact O-N 3.03Å |
| 200 | D | 42.7 | Very low | 53.8 | Low | 157 Ų | 157 | 115.9 Ų | 115.9 | 84% | 0.84 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -84 | 91.8 | 175.2 | -76 | -14.7 | 0 | 0 | 0 | 110.6 | R202 | D200-R202 PolarHBondContact O-N 3.28Š|
| 201 | G | 40.8 | Very low | 51.1 | Low | 70 Ų | 70 | 120.9 Ų | 120.9 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | trans | -68.7 | 113.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R199 | R199-G201 PolarHBondContact O-N 3.03Š| ||
| 202 | R | 34.8 | Very low | 48.5 | Very low | 244 Ų | 244 | 121.4 Ų | 121.4 | 92% | 0.921 | 65% | 0.648 | S | S | * | * | trans | -136.6 | 107.2 | 134.2 | -75.9 | -148.7 | -67.8 | -97.3 | 4.1 | 109.5 | D200 | D200-R202 PolarHBondContact O-N 3.28Š| ||
| 203 | G | 31.6 | Very low | 46 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | trans | -81.9 | 153.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 204 | F | 31.4 | Very low | 43.3 | Very low | 200 Ų | 200 | 132 Ų | 132 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -149 | 109.5 | 144.1 | -90.4 | -71.2 | 0 | 0 | 0 | 109.1 | L206 | F204-L206 PolarHBondContact O-N 3.17Š| ||
| 205 | A | 35.5 | Very low | 40.6 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | -79 | 96.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 206 | L | 34.2 | Very low | 38.2 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -88.5 | 121.5 | 179.9 | -85.5 | 171.3 | 0 | 0 | 0 | 113.1 | F204 | F204-L206 PolarHBondContact O-N 3.17Š| ||
| 207 | R | 31 | Very low | 35.9 | Very low | 238 Ų | 238 | 149.8 Ų | 149.8 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -51.1 | 131.9 | 171.1 | -76.6 | -98.3 | -178.3 | 149.5 | -2.9 | 111.5 | A209 | R207-A209 PolarHBondContact O-N 3.48Š| ||
| 208 | R | 29 | Very low | 34.2 | Very low | 233 Ų | 233 | 157 Ų | 157 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -69.4 | 108.4 | 164.9 | -166.6 | -174.6 | -63.2 | 168 | -1.3 | 109.1 | ||||
| 209 | A | 28.9 | Very low | 32.7 | Very low | 79 Ų | 79 | 158.5 Ų | 158.5 | 65% | 0.653 | 83% | 0.83 | S | S | * | * | trans | -76 | 146.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | R207 | R207-A209 PolarHBondContact O-N 3.48Š| ||
| 210 | N | 28 | Very low | 31.8 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | 73.5 | 68.9 | 170.7 | -48.9 | -12.4 | 0 | 0 | 0 | 116.1 | ||||
| 211 | S | 30.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 154 Ų | 154 | 74% | 0.741 | 83% | 0.831 | S | S | * | * | trans | -123.5 | 114.6 | 149.2 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 212 | S | 33.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 156.7 Ų | 156.7 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -98.8 | 91.1 | 171.3 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 213 | E | 33.3 | Very low | 30.9 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 83% | 0.832 | S | S | * | * | trans | 172.7 | 115.3 | 148.4 | -102.7 | 175 | -152.8 | 0 | 0 | 109.1 | ||||
| 214 | L | 29.5 | Very low | 30.8 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 90% | 0.901 | 84% | 0.844 | S | S | * | * | trans | -163.1 | 155.4 | 143.6 | -113.9 | 162.1 | 0 | 0 | 0 | 112.1 | ||||
| 215 | L | 27 | Very low | 30.7 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | trans | -79.9 | 158.6 | -164.1 | -66.6 | 153 | 0 | 0 | 0 | 113.1 | ||||
| 216 | S | 32.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -75.8 | 153.6 | -177.2 | -41.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 217 | R | 28.5 | Very low | 30.2 | Very low | 238 Ų | 238 | 148.1 Ų | 148.1 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -154.3 | 107.4 | 146.4 | -106.3 | 177.7 | -155.2 | -126.9 | 2.7 | 112.8 | ||||
| 218 | H | 27.3 | Very low | 30 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 82% | 0.819 | 82% | 0.822 | S | S | * | * | trans | 46.8 | 146.4 | 143.3 | -73.3 | -87.3 | 0 | 0 | 0 | 124.9 | ||||
| 219 | S | 26.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 65.2 | 133.6 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 220 | S | 30.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | -154.1 | 161.4 | 1.5 | 42.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 221 | L | 30.8 | Very low | 30.6 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -64.8 | 173.9 | 172.7 | -76.6 | 158.6 | 0 | 0 | 0 | 113.1 | ||||
| 222 | P | 40.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -128 | 171 | -7.7 | 31.5 | -12.1 | 0 | 0 | 0 | 114.9 | ||||
| 223 | G | 27.6 | Very low | 30.4 | Very low | 82 Ų | 82 | 143.6 Ų | 143.6 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -175.6 | 117.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 224 | H | 29.4 | Very low | 30.1 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 95% | 0.954 | 82% | 0.821 | S | S | * | * | trans | -75.3 | 156.9 | -168.8 | -129.9 | -83.9 | 0 | 0 | 0 | 116.3 | ||||
| 225 | G | 29.3 | Very low | 30.5 | Very low | 66 Ų | 66 | 145.5 Ų | 145.5 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | 106.4 | 95.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 226 | S | 29.3 | Very low | 31 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | 82 | 148.1 | 61.2 | -160.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 227 | V | 30.5 | Very low | 31 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | 82.8 | 93.7 | 170.6 | -164 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 228 | S | 27.7 | Very low | 31.2 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -73.7 | 162.9 | 142.6 | -71.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 229 | P | 41.2 | Very low | 31.5 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | cis | -158.1 | 170.4 | 45 | 44.2 | -22 | 0 | 0 | 0 | 120.7 | ||||
| 230 | S | 26.4 | Very low | 31.9 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | 52.1 | 120.1 | 139.7 | -150.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 231 | M | 29 | Very low | 32.2 | Very low | 148 Ų | 148 | 148 Ų | 148 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | 165.6 | 149.8 | 99.7 | -94.5 | -145.6 | -176.4 | 0 | 0 | 116.2 | |||||
| 232 | K | 29.7 | Very low | 32.7 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | 79.4 | 128.1 | 145.9 | -78.9 | 165.8 | 178.2 | 165.8 | 0 | 121.8 | ||||
| 233 | Q | 31.6 | Very low | 32.4 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -64.5 | 161.6 | 172.8 | -59.5 | 170.8 | -27 | 0 | 0 | 113.5 | ||||
| 234 | R | 28 | Very low | 33.1 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -150.5 | 123 | 143.7 | -145.5 | 169.1 | 178.5 | 176.5 | -2 | 112 | ||||
| 235 | N | 37.9 | Very low | 33.8 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -69.9 | 156.6 | 168.2 | -70.9 | -26.4 | 0 | 0 | 0 | 110.8 | ||||
| 236 | P | 37.3 | Very low | 34.1 | Very low | 131 Ų | 131 | 152 Ų | 152 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -121.7 | 151.7 | 145 | 29.2 | -15.6 | 0 | 0 | 0 | 113.3 | ||||
| 237 | V | 31.1 | Very low | 34.4 | Very low | 137 Ų | 137 | 150 Ų | 150 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -94.8 | 133.9 | -167.3 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 238 | H | 32.8 | Very low | 34.9 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | 32.3 | 112.2 | 143.5 | -141.6 | 76.9 | 0 | 0 | 0 | 119 | R240 | H238-R240 PolarHBondContact NE2-NE 3.06Š| ||
| 239 | R | 32.9 | Very low | 35.5 | Very low | 254 Ų | 254 | 153.8 Ų | 153.8 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -133.3 | 122 | 148.8 | -116.3 | 178.2 | -178.8 | 152 | 1.7 | 110.5 | ||||
| 240 | R | 36.7 | Very low | 35.7 | Very low | 215 Ų | 215 | 154.9 Ų | 154.9 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -75.2 | 138 | -177.7 | -61.5 | 170.5 | -179.5 | 167.8 | -4.5 | 110 | H238 | H238-R240 PolarHBondContact NE2-NE 3.06Š| ||
| 241 | S | 36 | Very low | 36.5 | Very low | 110 Ų | 110 | 160 Ų | 160 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -107.9 | 131.4 | 165.4 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 242 | I | 41.1 | Very low | 37.2 | Very low | 156 Ų | 156 | 160.1 Ų | 160.1 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -72.6 | 133.4 | -173.5 | -69.8 | 157.1 | 0 | 0 | 0 | 110.9 | V244 | I242-V244 HydrophobicContact CG2-CG2 4.01Š| ||
| 243 | N | 34.9 | Very low | 37.9 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -82.7 | 113.6 | 167.5 | -77.4 | -10.5 | 0 | 0 | 0 | 109.8 | ||||
| 244 | V | 42.6 | Very low | 38.9 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -116.9 | 109.5 | 159.1 | 175.7 | 0 | 0 | 0 | 0 | 107.3 | I242 | I242-V244 HydrophobicContact CG2-CG2 4.01Š| ||
| 245 | F | 42.9 | Very low | 40.1 | Very low | 208 Ų | 208 | 144 Ų | 144 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | 177.3 | 98.1 | 143.7 | -89 | -57.1 | 0 | 0 | 0 | 107.5 | ||||
| 246 | G | 35.7 | Very low | 40.7 | Very low | 87 Ų | 87 | 141 Ų | 141 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -87.1 | 131.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 247 | G | 36.3 | Very low | 41.5 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -166.4 | 98.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 248 | S | 41.4 | Very low | 42.8 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 29 | 100.3 | 168.7 | -159.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 249 | K | 39.5 | Very low | 44.3 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | -86.4 | 103.1 | 160.4 | -80.8 | -174.7 | 177.1 | 178.6 | 0 | 110.4 | K251 | K249-K251 PolarHBondContact O-N 2.93Š| ||
| 250 | L | 46.5 | Very low | 46 | Very low | 139 Ų | 139 | 127 Ų | 127 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | -64 | 126.8 | 148.1 | -82.1 | 164 | 0 | 0 | 0 | 108 | H252 | L250-H252 PolarHBondContact O-N 3.43Š| ||
| 251 | K | 42.4 | Very low | 48 | Very low | 208 Ų | 208 | 121.2 Ų | 121.2 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -76.8 | 86.9 | -175.1 | -71.1 | -175.9 | 178.7 | 179 | 0 | 110.7 | K249 | K249-K251 PolarHBondContact O-N 2.93Š| ||
| 252 | H | 44 | Very low | 50.4 | Low | 150 Ų | 150 | 117.4 Ų | 117.4 | 69% | 0.694 | 68% | 0.684 | S | S | * | * | trans | -96.3 | 141.4 | 160.2 | -60.4 | -72.1 | 0 | 0 | 0 | 109.9 | L250 | L250-H252 PolarHBondContact O-N 3.43Š| ||
| 253 | S | 44.8 | Very low | 52.7 | Low | 99 Ų | 99 | 114 Ų | 114 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | trans | -53.4 | 140.1 | -168.9 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | S255 D256 | S253-S255 PolarHBondContact O-N 3.29Å; S253-D256 PolarHBondContact O-N 2.92Å; S253-D256 VanDerWaalsContact O-N 3.12Å | ||
| 254 | A | 51.1 | Low | 55.4 | Low | 83 Ų | 83 | 113 Ų | 113 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -27.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D256 S257 | A254-D256 VanDerWaalsContact C-N 3.28Å; A254-D256 PolarHBondContact O-N 3.46Å; A254-S257 PolarHBondContact O-N 2.99Å; A254-S257 PolarHBondContact O-OG 3.41Å |
| 255 | S | 53.3 | Low | 57.7 | Low | 93 Ų | 93 | 112.1 Ų | 112.1 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -51.8 | -44.9 | 175.9 | -156.9 | 0 | 0 | 0 | 0 | 112.7 | S253 S257 A258 | S253-S255 PolarHBondContact O-N 3.29Å; S255-S257 PolarHBondContact O-N 3.24Å; S255-S257 VanDerWaalsContact O-N 3.15Å; S255-A258 PolarHBondContact O-N 3.05Å |
| 256 | D | 51.3 | Low | 60.1 | Low | 82 Ų | 82 | 111.5 Ų | 111.5 | 44% | 0.439 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.8 | -15.6 | -171.2 | -147 | 44.6 | 0 | 0 | 0 | 112.7 | S253 A254 K260 | S253-D256 PolarHBondContact O-N 2.92Å; S253-D256 VanDerWaalsContact O-N 3.12Å; A254-D256 VanDerWaalsContact C-N 3.28Å; A254-D256 PolarHBondContact O-N 3.46Å; D256-K260 WeakPolarHBondContact O-CD 3.36Å; D256-K260 WeakPolarHBondContact O-CG 3.24Å; D256-K260 WeakPolarHBondContact OD2-CE 3.26Å; D256-K260 IonicContact OD2-NZ 2.73Å; D256-K260 PolarHBondContact OD2-NZ 3.31Å |
| 257 | S | 54.7 | Low | 62.9 | Low | 67 Ų | 67 | 111.9 Ų | 111.9 | 47% | 0.469 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -87.2 | -27.9 | -178.3 | 75.3 | 0 | 0 | 0 | 0 | 113.6 | A254 S255 N261 | A254-S257 PolarHBondContact O-N 2.99Å; A254-S257 PolarHBondContact O-OG 3.41Å; S255-S257 PolarHBondContact O-N 3.24Å; S255-S257 VanDerWaalsContact O-N 3.15Å; S257-N261 PolarHBondContact O-ND2 2.87Å |
| 258 | A | 58.3 | Low | 65.6 | Low | 65 Ų | 65 | 115 Ų | 115 | 54% | 0.537 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.6 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | S255 K260 N261 G262 | S255-A258 PolarHBondContact O-N 3.05Å; A258-K260 PolarHBondContact O-N 3.08Å; A258-N261 PolarHBondContact O-N 3.43Å; A258-G262 PolarHBondContact O-N 3.01Å |
| 259 | D | 63.1 | Low | 68.1 | Low | 104 Ų | 104 | 116 Ų | 116 | 56% | 0.556 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 180 | -78.9 | -42.3 | 0 | 0 | 0 | 113.1 | N261 G262 V263 | D259-N261 VanDerWaalsContact C-N 3.27Å; D259-N261 PolarHBondContact O-N 3.37Å; D259-G262 CarbonylContact O-C 3.59Å; D259-G262 PolarHBondContact O-N 2.73Å; D259-G262 VanDerWaalsContact O-N 3.11Å; D259-V263 WeakPolarHBondContact O-CB 3.31Å; D259-V263 WeakPolarHBondContact O-CG2 3.39Å; D259-V263 PolarHBondContact O-N 3.06Å |
| 260 | K | 69.3 | Low | 70.8 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 57% | 0.57 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.3 | -38.1 | 174.8 | -74.3 | 169.7 | -168.3 | 164.5 | 0 | 112.3 | D256 A258 K264 | D256-K260 WeakPolarHBondContact O-CD 3.36Å; D256-K260 WeakPolarHBondContact O-CG 3.24Å; D256-K260 WeakPolarHBondContact OD2-CE 3.26Å; D256-K260 IonicContact OD2-NZ 2.73Å; D256-K260 PolarHBondContact OD2-NZ 3.31Å; A258-K260 PolarHBondContact O-N 3.08Å; K260-K264 VanDerWaalsContact O-CB 3.27Å; K260-K264 WeakPolarHBondContact O-CB 3.48Å; K260-K264 PolarHBondContact O-N 2.99Å; K260-K264 VanDerWaalsContact O-N 3.12Å |
| 261 | N | 78.4 | Confident | 73 | Confident | 93 Ų | 93 | 110.9 Ų | 110.9 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.2 | -35.9 | 174.2 | -72.8 | -50.6 | 0 | 0 | 0 | 112.5 | S257 A258 D259 N265 | S257-N261 PolarHBondContact O-ND2 2.87Å; A258-N261 PolarHBondContact O-N 3.43Å; D259-N261 VanDerWaalsContact C-N 3.27Å; D259-N261 PolarHBondContact O-N 3.37Å; N261-N265 WeakPolarHBondContact O-CB 3.2Å; N261-N265 VanDerWaalsContact O-CG 3.25Å; N261-N265 PolarHBondContact O-N 3.42Å; N261-N265 PolarHBondContact O-ND2 3.19Å |
| 262 | G | 85.8 | Confident | 75.4 | Confident | 30 Ų | 30 | 107.2 Ų | 107.2 | 31% | 0.309 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -51.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A258 D259 N265 R266 | A258-G262 PolarHBondContact O-N 3.01Å; D259-G262 CarbonylContact O-C 3.59Å; D259-G262 PolarHBondContact O-N 2.73Å; D259-G262 VanDerWaalsContact O-N 3.11Å; G262-N265 PolarHBondContact O-N 3.26Å; G262-R266 WeakPolarHBondContact O-CG 3.3Å; G262-R266 PolarHBondContact O-N 3.13Å |
| 263 | V | 90.6 | Very high | 77.8 | Confident | 84 Ų | 84 | 109.9 Ų | 109.9 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.6 | -46.7 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | D259 N265 R266 L267 | D259-V263 WeakPolarHBondContact O-CB 3.31Å; D259-V263 WeakPolarHBondContact O-CG2 3.39Å; D259-V263 PolarHBondContact O-N 3.06Å; V263-N265 VanDerWaalsContact C-N 3.31Å; V263-N265 PolarHBondContact O-N 3.32Å; V263-R266 PolarHBondContact O-N 3.12Å; V263-L267 WeakPolarHBondContact O-CB 3.45Å; V263-L267 PolarHBondContact O-N 3.09Å |
| 264 | K | 91.4 | Very high | 80 | Confident | 142 Ų | 142 | 112.6 Ų | 112.6 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -56.5 | -43.8 | 175.1 | -179.1 | 177.5 | 179.3 | 178.3 | 0 | 112.3 | K260 K268 | K260-K264 VanDerWaalsContact O-CB 3.27Å; K260-K264 WeakPolarHBondContact O-CB 3.48Å; K260-K264 PolarHBondContact O-N 2.99Å; K260-K264 VanDerWaalsContact O-N 3.12Å; K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 PolarHBondContact O-N 3.49Å |
| 265 | N | 91.4 | Very high | 81.9 | Confident | 95 Ų | 95 | 111.4 Ų | 111.4 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.5 | -37 | 178.6 | -73.4 | -21.9 | 0 | 0 | 0 | 112.7 | N261 G262 V263 K269 | N261-N265 WeakPolarHBondContact O-CB 3.2Å; N261-N265 VanDerWaalsContact O-CG 3.25Å; N261-N265 PolarHBondContact O-N 3.42Å; N261-N265 PolarHBondContact O-ND2 3.19Å; G262-N265 PolarHBondContact O-N 3.26Å; V263-N265 VanDerWaalsContact C-N 3.31Å; V263-N265 PolarHBondContact O-N 3.32Å; N265-K269 WeakPolarHBondContact O-CG 3.34Å; N265-K269 PolarHBondContact O-N 3.06Å |
| 266 | R | 93.1 | Very high | 83.7 | Confident | 194 Ų | 194 | 109.9 Ų | 109.9 | 73% | 0.732 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 172.4 | -73.6 | 173.5 | 70.1 | -175.3 | 1.7 | 111.2 | G262 V263 K269 F270 | G262-R266 WeakPolarHBondContact O-CG 3.3Å; G262-R266 PolarHBondContact O-N 3.13Å; V263-R266 PolarHBondContact O-N 3.12Å; R266-K269 PolarHBondContact O-N 2.96Å; R266-F270 WeakPolarHBondContact O-CB 3.4Å; R266-F270 PolarHBondContact O-N 3.48Å |
| 267 | L | 93.9 | Very high | 85.3 | Confident | 95 Ų | 95 | 110.9 Ų | 110.9 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 178.7 | -172.4 | 63.6 | 0 | 0 | 0 | 111.8 | V263 K269 F270 I271 | V263-L267 WeakPolarHBondContact O-CB 3.45Å; V263-L267 PolarHBondContact O-N 3.09Å; L267-K269 VanDerWaalsContact C-N 3.34Å; L267-K269 PolarHBondContact O-N 3.21Å; L267-F270 HydrophobicContact CD1-CD1 4.17Å; L267-F270 PolarHBondContact O-N 3.45Å; L267-I271 HydrophobicContact CD1-CD1 4.4Å; L267-I271 HydrophobicContact CD1-CG1 4.44Å; L267-I271 HydrophobicContact CG-CD1 4.03Å; L267-I271 HydrophobicContact CG-CG1 4.49Å; L267-I271 WeakPolarHBondContact O-CG1 3.01Å; L267-I271 PolarHBondContact O-N 3.18Å |
| 268 | K | 93.4 | Very high | 86.8 | Confident | 140 Ų | 140 | 114.7 Ų | 114.7 | 61% | 0.609 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.7 | -43.7 | 173 | -171.5 | 178.5 | -178.1 | -177.1 | 0 | 111.7 | K264 I272 | K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 PolarHBondContact O-N 3.49Å; K268-I272 HydrophobicContact CG-CD1 4.13Å; K268-I272 WeakPolarHBondContact O-CD1 3.49Å; K268-I272 VanDerWaalsContact O-CG1 3.3Å; K268-I272 WeakPolarHBondContact O-CG1 3.42Å; K268-I272 PolarHBondContact O-N 3.28Å |
| 269 | K | 94.5 | Very high | 88.2 | Confident | 141 Ų | 141 | 113.7 Ų | 113.7 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 173.8 | -73.3 | 177.2 | -179.6 | -177.9 | 0 | 112.1 | N265 R266 L267 R273 | N265-K269 WeakPolarHBondContact O-CG 3.34Å; N265-K269 PolarHBondContact O-N 3.06Å; R266-K269 PolarHBondContact O-N 2.96Å; L267-K269 VanDerWaalsContact C-N 3.34Å; L267-K269 PolarHBondContact O-N 3.21Å; K269-R273 VanDerWaalsContact O-CB 3.31Å; K269-R273 WeakPolarHBondContact O-CB 3.37Å; K269-R273 WeakPolarHBondContact O-CG 3.21Å; K269-R273 PolarHBondContact O-N 3.47Å |
| 270 | F | 94.9 | Very high | 89.3 | Confident | 119 Ų | 119 | 110.2 Ų | 110.2 | 52% | 0.522 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 177.8 | 173.5 | -100.1 | 0 | 0 | 0 | 112 | R266 L267 I272 R273 R274 | R266-F270 WeakPolarHBondContact O-CB 3.4Å; R266-F270 PolarHBondContact O-N 3.48Å; L267-F270 HydrophobicContact CD1-CD1 4.17Å; L267-F270 PolarHBondContact O-N 3.45Å; F270-I272 VanDerWaalsContact C-N 3.31Å; F270-I272 PolarHBondContact O-N 2.86Å; F270-R273 CarbonylContact O-C 3.59Å; F270-R273 PolarHBondContact O-N 3.19Å; F270-R273 VanDerWaalsContact O-N 3.15Å; F270-R274 HydrophobicContact CZ-CG 4.34Å; F270-R274 WeakPolarHBondContact O-CA 3.44Å; F270-R274 WeakPolarHBondContact O-CB 3.36Å; F270-R274 PolarHBondContact O-N 3.22Å |
| 271 | I | 94.1 | Very high | 89.9 | Confident | 113 Ų | 113 | 107.7 Ų | 107.7 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 179.9 | -68.2 | 167.6 | 0 | 0 | 0 | 110.9 | L267 | L267-I271 HydrophobicContact CD1-CD1 4.4Å; L267-I271 HydrophobicContact CD1-CG1 4.44Å; L267-I271 HydrophobicContact CG-CD1 4.03Å; L267-I271 HydrophobicContact CG-CG1 4.49Å; L267-I271 WeakPolarHBondContact O-CG1 3.01Å; L267-I271 PolarHBondContact O-N 3.18Å |
| 272 | I | 92.9 | Very high | 90.2 | Very high | 131 Ų | 131 | 110.4 Ų | 110.4 | 67% | 0.672 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.6 | -33.3 | 178.2 | -65.4 | 167.8 | 0 | 0 | 0 | 112.1 | K268 F270 | K268-I272 HydrophobicContact CG-CD1 4.13Å; K268-I272 WeakPolarHBondContact O-CD1 3.49Å; K268-I272 VanDerWaalsContact O-CG1 3.3Å; K268-I272 WeakPolarHBondContact O-CG1 3.42Å; K268-I272 PolarHBondContact O-N 3.28Å; F270-I272 VanDerWaalsContact C-N 3.31Å; F270-I272 PolarHBondContact O-N 2.86Å |
| 273 | R | 93 | Very high | 90.2 | Very high | 207 Ų | 207 | 115.8 Ų | 115.8 | 78% | 0.781 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 12.1 | -178.2 | -64.4 | -178.3 | 173.1 | -169 | -4.8 | 113.6 | K269 F270 P275 | K269-R273 VanDerWaalsContact O-CB 3.31Å; K269-R273 WeakPolarHBondContact O-CB 3.37Å; K269-R273 WeakPolarHBondContact O-CG 3.21Å; K269-R273 PolarHBondContact O-N 3.47Å; F270-R273 CarbonylContact O-C 3.59Å; F270-R273 PolarHBondContact O-N 3.19Å; F270-R273 VanDerWaalsContact O-N 3.15Å; R273-P275 WeakPolarHBondContact O-CD 3.28Å |
| 274 | R | 92.1 | Very high | 89.6 | Confident | 156 Ų | 156 | 114.1 Ų | 114.1 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 124.2 | -175.7 | -174.3 | -179.4 | 174.5 | -175.2 | -1.7 | 108.5 | F270 | F270-R274 HydrophobicContact CZ-CG 4.34Å; F270-R274 WeakPolarHBondContact O-CA 3.44Å; F270-R274 WeakPolarHBondContact O-CB 3.36Å; F270-R274 PolarHBondContact O-N 3.22Å |
| 275 | P | 90.6 | Very high | 89.1 | Confident | 58 Ų | 58 | 113.4 Ų | 113.4 | 38% | 0.377 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 147 | 174 | -23.9 | 34.2 | 0 | 0 | 0 | 111.3 | R273 T279 L280 | R273-P275 WeakPolarHBondContact O-CD 3.28Å; P275-T279 HydrophobicContact CB-CG2 4.39Å; P275-L280 HydrophobicContact CB-CD2 3.97Å; P275-L280 HydrophobicContact CB-CG 4.16Å; P275-L280 HydrophobicContact CG-CD2 4.31Å |
| 276 | S | 90.5 | Very high | 88.4 | Confident | 61 Ų | 61 | 111.4 Ų | 111.4 | 43% | 0.427 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 156.9 | 174.9 | 84.1 | 0 | 0 | 0 | 0 | 110.9 | K278 T279 L280 | S276-K278 VanDerWaalsContact C-N 3.26Å; S276-K278 PolarHBondContact O-N 2.86Å; S276-K278 PolarHBondContact OG-N 3.37Å; S276-T279 WeakPolarHBondContact O-CB 3.45Å; S276-T279 PolarHBondContact O-N 3.03Å; S276-T279 VanDerWaalsContact O-N 3.11Å; S276-T279 PolarHBondContact OG-N 3.11Å; S276-T279 VanDerWaalsContact OG-N 3.12Å; S276-T279 PolarHBondContact OG-OG1 3.26Å; S276-L280 PolarHBondContact O-N 3.06Å; S276-L280 VanDerWaalsContact O-N 3.12Å |
| 277 | M | 85.9 | Confident | 87.4 | Confident | 102 Ų | 102 | 110.6 Ų | 110.6 | 50% | 0.502 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.9 | -42.1 | 175.2 | -72.7 | -63.3 | -62.1 | 0 | 0 | 111.9 | T279 L280 Q281 I286 | M277-T279 PolarHBondContact O-N 3.4Å; M277-L280 WeakPolarHBondContact O-CB 3.43Å; M277-L280 PolarHBondContact O-N 3.47Å; M277-Q281 PolarHBondContact O-N 2.61Å; M277-I286 HydrophobicContact CE-CD1 3.48Å; M277-I286 VanDerWaalsContact CE-CD1 3.48Å; M277-I286 HydrophobicContact SD-CD1 3.96Å |
| 278 | K | 85.3 | Confident | 86.4 | Confident | 147 Ų | 147 | 110 Ų | 110 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.7 | -46.3 | 175.1 | -64.4 | -170.1 | 176 | -170.1 | 0 | 111.7 | S276 L280 Q281 E282 | S276-K278 VanDerWaalsContact C-N 3.26Å; S276-K278 PolarHBondContact O-N 2.86Å; S276-K278 PolarHBondContact OG-N 3.37Å; K278-L280 PolarHBondContact O-N 2.85Å; K278-Q281 PolarHBondContact O-N 2.82Å; K278-Q281 VanDerWaalsContact O-N 3.08Å; K278-E282 WeakPolarHBondContact O-CB 3.46Å; K278-E282 VanDerWaalsContact O-CG 3.27Å; K278-E282 WeakPolarHBondContact O-CG 3.2Å; K278-E282 PolarHBondContact O-N 3.41Å |
| 279 | T | 88.1 | Confident | 86.2 | Confident | 45 Ų | 45 | 110.1 Ų | 110.1 | 28% | 0.276 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -23.5 | 177.6 | -45.1 | 0 | 0 | 0 | 0 | 113.4 | P275 S276 M277 E282 K283 | P275-T279 HydrophobicContact CB-CG2 4.39Å; S276-T279 WeakPolarHBondContact O-CB 3.45Å; S276-T279 PolarHBondContact O-N 3.03Å; S276-T279 VanDerWaalsContact O-N 3.11Å; S276-T279 PolarHBondContact OG-N 3.11Å; S276-T279 VanDerWaalsContact OG-N 3.12Å; S276-T279 PolarHBondContact OG-OG1 3.26Å; M277-T279 PolarHBondContact O-N 3.4Å; T279-E282 WeakPolarHBondContact CA-OE2 3.46Å; T279-K283 WeakPolarHBondContact O-CB 3.35Å; T279-K283 WeakPolarHBondContact O-CD 3.42Å; T279-K283 VanDerWaalsContact O-CG 3.23Å; T279-K283 WeakPolarHBondContact O-CG 3.45Å |
| 280 | L | 87 | Confident | 86.2 | Confident | 31 Ų | 31 | 103.6 Ų | 103.6 | 16% | 0.162 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -83.7 | -33.2 | 173.7 | -63.4 | 174.2 | 0 | 0 | 0 | 111.9 | P275 S276 M277 K278 L285 I286 | P275-L280 HydrophobicContact CB-CD2 3.97Å; P275-L280 HydrophobicContact CB-CG 4.16Å; P275-L280 HydrophobicContact CG-CD2 4.31Å; S276-L280 PolarHBondContact O-N 3.06Å; S276-L280 VanDerWaalsContact O-N 3.12Å; M277-L280 WeakPolarHBondContact O-CB 3.43Å; M277-L280 PolarHBondContact O-N 3.47Å; K278-L280 PolarHBondContact O-N 2.85Å; L280-L285 HydrophobicContact CD2-CD1 3.95Å; L280-L285 WeakPolarHBondContact O-CB 3.46Å; L280-L285 PolarHBondContact O-N 3Å; L280-I286 HydrophobicContact CB-CD1 3.65Å; L280-I286 HydrophobicContact CB-CG1 3.91Å; L280-I286 HydrophobicContact CD1-CD1 3.87Å; L280-I286 HydrophobicContact CG-CD1 4.41Å; L280-I286 PolarHBondContact O-N 3.18Å |
| 281 | Q | 81.8 | Confident | 86.2 | Confident | 78 Ų | 78 | 98 Ų | 98 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 171.1 | -70.8 | 169.7 | -69.8 | 0 | 0 | 111.6 | M277 K278 K283 G284 I286 D288 | M277-Q281 PolarHBondContact O-N 2.61Å; K278-Q281 PolarHBondContact O-N 2.82Å; K278-Q281 VanDerWaalsContact O-N 3.08Å; Q281-K283 PolarHBondContact O-N 2.95Å; Q281-K283 VanDerWaalsContact O-N 3.15Å; Q281-G284 WeakPolarHBondContact O-CA 3.11Å; Q281-G284 PolarHBondContact O-N 3.5Å; Q281-I286 WeakPolarHBondContact CA-O 3.36Å; Q281-I286 HydrophobicContact CG-CB 4.07Å; Q281-I286 HydrophobicContact CG-CG2 4.06Å; Q281-D288 PolarHBondContact NE2-OD1 3.26Å |
| 282 | E | 83.9 | Confident | 86.2 | Confident | 149 Ų | 149 | 94.5 Ų | 94.5 | 70% | 0.696 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -55.3 | -32 | 175.5 | -73.1 | 161.1 | -169.9 | 0 | 0 | 112.8 | K278 T279 G284 | K278-E282 WeakPolarHBondContact O-CB 3.46Å; K278-E282 VanDerWaalsContact O-CG 3.27Å; K278-E282 WeakPolarHBondContact O-CG 3.2Å; K278-E282 PolarHBondContact O-N 3.41Å; T279-E282 WeakPolarHBondContact CA-OE2 3.46Å; E282-G284 VanDerWaalsContact C-N 3.31Å |
| 283 | K | 85.5 | Confident | 86.3 | Confident | 143 Ų | 143 | 88.8 Ų | 88.8 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 2.9 | 176.6 | -72 | -179.1 | 178.6 | -169.6 | 0 | 114 | T279 Q281 L285 | T279-K283 WeakPolarHBondContact O-CB 3.35Å; T279-K283 WeakPolarHBondContact O-CD 3.42Å; T279-K283 VanDerWaalsContact O-CG 3.23Å; T279-K283 WeakPolarHBondContact O-CG 3.45Å; Q281-K283 PolarHBondContact O-N 2.95Å; Q281-K283 VanDerWaalsContact O-N 3.15Å; K283-L285 HydrophobicContact CB-CD1 4.13Å; K283-L285 HydrophobicContact CB-CG 4Å; K283-L285 PolarHBondContact O-N 2.97Å; K283-L285 VanDerWaalsContact O-N 3.14Å |
| 284 | G | 79.1 | Confident | 86.4 | Confident | 50 Ų | 50 | 83.7 Ų | 83.7 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 8.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q281 E282 I286 | Q281-G284 WeakPolarHBondContact O-CA 3.11Å; Q281-G284 PolarHBondContact O-N 3.5Å; E282-G284 VanDerWaalsContact C-N 3.31Å; G284-I286 VanDerWaalsContact C-N 3.32Å |
| 285 | L | 79.2 | Confident | 86.6 | Confident | 126 Ų | 126 | 76.8 Ų | 76.8 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -76.7 | -24.1 | 179.8 | -61.6 | 175.7 | 0 | 0 | 0 | 111.9 | L280 K283 | L280-L285 HydrophobicContact CD2-CD1 3.95Å; L280-L285 WeakPolarHBondContact O-CB 3.46Å; L280-L285 PolarHBondContact O-N 3Å; K283-L285 HydrophobicContact CB-CD1 4.13Å; K283-L285 HydrophobicContact CB-CG 4Å; K283-L285 PolarHBondContact O-N 2.97Å; K283-L285 VanDerWaalsContact O-N 3.14Å |
| 286 | I | 77.6 | Confident | 86.8 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -123.2 | 106.4 | 170.9 | -61.2 | -178.6 | 0 | 0 | 0 | 106.5 | M277 L280 Q281 G284 | M277-I286 HydrophobicContact CE-CD1 3.48Å; M277-I286 VanDerWaalsContact CE-CD1 3.48Å; M277-I286 HydrophobicContact SD-CD1 3.96Å; L280-I286 HydrophobicContact CB-CD1 3.65Å; L280-I286 HydrophobicContact CB-CG1 3.91Å; L280-I286 HydrophobicContact CD1-CD1 3.87Å; L280-I286 HydrophobicContact CG-CD1 4.41Å; L280-I286 PolarHBondContact O-N 3.18Å; Q281-I286 WeakPolarHBondContact CA-O 3.36Å; Q281-I286 HydrophobicContact CG-CB 4.07Å; Q281-I286 HydrophobicContact CG-CG2 4.06Å; G284-I286 VanDerWaalsContact C-N 3.32Å |
| 287 | K | 71.6 | Confident | 87 | Confident | 177 Ų | 177 | 78.4 Ų | 78.4 | 77% | 0.77 | 40% | 0.397 | S | S | * | . | trans | -76.8 | 148 | 171.1 | -64.5 | -175.3 | 178 | -175.7 | 0 | 110 | R289 | K287-R289 PolarHBondContact O-N 3.48Š| ||
| 288 | D | 74.1 | Confident | 87.5 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | trans | -71.5 | 121.6 | 172.7 | -70.4 | -25.8 | 0 | 0 | 0 | 109.7 | Q281 R301 | Q281-D288 PolarHBondContact NE2-OD1 3.26Å; D288-R301 PolarHBondContact O-NH1 2.67Å | ||
| 289 | R | 88.6 | Confident | 88 | Confident | 143 Ų | 143 | 66.5 Ų | 66.5 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | trans | -75.4 | -177.6 | -177.7 | -69.1 | 176.7 | -172.6 | -157.1 | -0.2 | 111.3 | K287 F291 C293 R301 D345 | K287-R289 PolarHBondContact O-N 3.48Å; R289-F291 WeakPolarHBondContact CB-O 3.31Å; R289-C293 WeakPolarHBondContact O-CB 3.48Å; R289-R301 PolarHBondContact O-NH1 2.94Å; R289-R301 PolarHBondContact O-NH2 3.45Å; R289-R301 VanDerWaalsContact O-NH2 3.1Å; R289-D345 HydrophobicContact CB-CB 4.34Å; R289-D345 WeakPolarHBondContact CD-OD2 3.16Å; R289-D345 HydrophobicContact CG-CB 4.34Å | ||
| 290 | V | 94 | Very high | 88.3 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -90.2 | -51.6 | 169.7 | 175 | 0 | 0 | 0 | 0 | 108.9 | C293 L298 F309 V344 D345 E347 F370 | V290-C293 WeakPolarHBondContact O-CB 3.47Å; V290-C293 PolarHBondContact O-N 3.03Å; V290-L298 HydrophobicContact CG1-CD1 4.31Å; V290-L298 HydrophobicContact CG1-CD2 4Å; V290-L298 HydrophobicContact CG2-CD1 4.35Å; V290-F309 HydrophobicContact CG1-CB 4.44Å; V290-V344 HydrophobicContact CB-CG1 3.91Å; V290-V344 HydrophobicContact CG1-CG1 3.74Å; V290-V344 HydrophobicContact CG2-CG1 4.2Å; V290-V344 VanDerWaalsContact CG2-O 3.31Å; V290-V344 WeakPolarHBondContact CG2-O 3.23Å; V290-D345 PolarHBondContact N-OD1 3.15Å; V290-E347 HydrophobicContact CG2-CG 4.14Å; V290-F370 HydrophobicContact CG1-CD2 4.46Å; V290-F370 HydrophobicContact CG1-CE2 4.12Å |
| 291 | F | 96.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 133.2 | 171.1 | -72.8 | -106.9 | 0 | 0 | 0 | 110.5 | R289 C293 F309 R341 V344 D345 M369 F370 | R289-F291 WeakPolarHBondContact CB-O 3.31Å; F291-C293 VanDerWaalsContact C-N 3.33Å; F291-F309 HydrophobicContact CE1-CE1 4.41Å; F291-F309 HydrophobicContact CE2-CD1 4.38Å; F291-F309 HydrophobicContact CE2-CE1 4.08Å; F291-F309 HydrophobicContact CE2-CZ 4.16Å; F291-F309 HydrophobicContact CZ-CD1 4.27Å; F291-F309 AromaticContact CZ-CE1 3.58Å; F291-F309 HydrophobicContact CZ-CE1 3.58Å; F291-F309 HydrophobicContact CZ-CE2 4.44Å; F291-F309 AromaticContact CZ-CZ 3.68Å; F291-F309 HydrophobicContact CZ-CZ 3.68Å; F291-R341 HydrophobicContact CB-CG 4.22Å; F291-R341 VanDerWaalsContact CB-NH2 3.3Å; F291-R341 HydrophobicContact CD1-CG 3.78Å; F291-R341 HydrophobicContact CD2-CG 3.72Å; F291-R341 HydrophobicContact CE1-CG 3.97Å; F291-R341 HydrophobicContact CE2-CB 4.29Å; F291-R341 HydrophobicContact CE2-CG 3.94Å; F291-R341 HydrophobicContact CG-CG 3.65Å; F291-R341 HydrophobicContact CZ-CB 4.29Å; F291-R341 HydrophobicContact CZ-CG 4.06Å; F291-V344 HydrophobicContact CD2-CG1 4.21Å; F291-V344 HydrophobicContact CE2-CB 3.98Å; F291-V344 HydrophobicContact CE2-CG1 3.78Å; F291-D345 WeakPolarHBondContact CB-OD1 3.39Å; F291-D345 PolarHBondContact N-OD1 3.25Å; F291-M369 HydrophobicContact CD1-CG 4.22Å; F291-M369 HydrophobicContact CE1-CB 4.14Å; F291-M369 HydrophobicContact CE1-CG 3.99Å; F291-M369 HydrophobicContact CE1-SD 4.44Å; F291-F370 HydrophobicContact CD1-CB 4.16Å; F291-F370 HydrophobicContact CE1-CB 3.72Å; F291-F370 HydrophobicContact CZ-CB 4.13Å |
| 292 | G | 94.1 | Very high | 89.2 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 0.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | E373 P375 | G292-E373 VanDerWaalsContact CA-O 3.31Å; G292-E373 WeakPolarHBondContact CA-O 3.26Å; G292-P375 VanDerWaalsContact O-CG 3.29Å; G292-P375 WeakPolarHBondContact O-CG 3.36Å |
| 293 | C | 93.8 | Very high | 89.8 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 8% | 0.081 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -82.9 | 150.2 | 174.1 | -162.3 | 0 | 0 | 0 | 0 | 111.3 | R289 V290 F291 L295 L298 L374 P375 | R289-C293 WeakPolarHBondContact O-CB 3.48Å; V290-C293 WeakPolarHBondContact O-CB 3.47Å; V290-C293 PolarHBondContact O-N 3.03Å; F291-C293 VanDerWaalsContact C-N 3.33Å; C293-L295 PolarHBondContact O-N 3.48Å; C293-L298 HydrophobicContact CB-CB 4.23Å; C293-L374 WeakPolarHBondContact O-CD2 3.49Å; C293-P375 WeakPolarHBondContact O-CD 3.33Å |
| 294 | H | 95.1 | Very high | 90.3 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | trans | -65.2 | 133.8 | 167.8 | -81.6 | -86.3 | 0 | 0 | 0 | 109.9 | L296 T297 L298 | H294-L296 VanDerWaalsContact C-N 3.27Å; H294-L296 PolarHBondContact O-N 3.3Å; H294-T297 PolarHBondContact O-N 3.31Å; H294-T297 VanDerWaalsContact O-N 3.09Å; H294-L298 PolarHBondContact O-N 3.3Å | ||
| 295 | L | 96.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54 | -42.5 | -175.3 | -177.6 | 64.4 | 0 | 0 | 0 | 112.9 | C293 C299 P307 L374 L378 P413 N414 | C293-L295 PolarHBondContact O-N 3.48Å; L295-C299 WeakPolarHBondContact O-CB 3.36Å; L295-C299 PolarHBondContact O-N 2.8Å; L295-C299 PolarHBondContact O-SG 2.83Å; L295-P307 HydrophobicContact CD1-CG 3.42Å; L295-P307 VanDerWaalsContact CD1-CG 3.42Å; L295-L374 HydrophobicContact CB-CD2 4.45Å; L295-L378 HydrophobicContact CD2-CD1 3.72Å; L295-P413 HydrophobicContact CD2-CB 4.3Å; L295-P413 HydrophobicContact CG-CB 4.08Å; L295-N414 HydrophobicContact CD2-CB 4.4Å |
| 296 | L | 95.6 | Very high | 92 | Very high | 86 Ų | 86 | 56.4 Ų | 56.4 | 45% | 0.45 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.6 | -54.4 | 176 | 177.2 | 61.1 | 0 | 0 | 0 | 111.3 | H294 L298 C299 D300 P413 | H294-L296 VanDerWaalsContact C-N 3.27Å; H294-L296 PolarHBondContact O-N 3.3Å; L296-L298 VanDerWaalsContact C-N 3.31Å; L296-L298 PolarHBondContact O-N 2.86Å; L296-C299 PolarHBondContact O-N 3.3Å; L296-C299 VanDerWaalsContact O-N 3.13Å; L296-D300 PolarHBondContact O-N 3.42Å; L296-P413 HydrophobicContact CD1-CG 3.83Å |
| 297 | T | 94.3 | Very high | 93 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | -179.4 | -50.8 | 0 | 0 | 0 | 0 | 112.9 | H294 R301 | H294-T297 PolarHBondContact O-N 3.31Å; H294-T297 VanDerWaalsContact O-N 3.09Å; T297-R301 WeakPolarHBondContact O-CB 3.33Å; T297-R301 PolarHBondContact O-N 3.38Å |
| 298 | L | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 175.4 | 179 | 60.8 | 0 | 0 | 0 | 111.7 | V290 C293 H294 L296 R301 E302 P307 F370 | V290-L298 HydrophobicContact CG1-CD1 4.31Å; V290-L298 HydrophobicContact CG1-CD2 4Å; V290-L298 HydrophobicContact CG2-CD1 4.35Å; C293-L298 HydrophobicContact CB-CB 4.23Å; H294-L298 PolarHBondContact O-N 3.3Å; L296-L298 VanDerWaalsContact C-N 3.31Å; L296-L298 PolarHBondContact O-N 2.86Å; L298-R301 PolarHBondContact O-N 2.99Å; L298-E302 HydrophobicContact CD1-CG 4.31Å; L298-E302 WeakPolarHBondContact O-CB 3.18Å; L298-E302 WeakPolarHBondContact O-CG 3.41Å; L298-E302 PolarHBondContact O-N 2.79Å; L298-P307 HydrophobicContact CD2-CB 3.9Å; L298-P307 HydrophobicContact CD2-CG 4Å; L298-F370 HydrophobicContact CD2-CE2 3.7Å; L298-F370 HydrophobicContact CD2-CZ 3.78Å |
| 299 | C | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.5 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | L295 L296 R301 E302 G303 T304 P413 | L295-C299 WeakPolarHBondContact O-CB 3.36Å; L295-C299 PolarHBondContact O-N 2.8Å; L295-C299 PolarHBondContact O-SG 2.83Å; L296-C299 PolarHBondContact O-N 3.3Å; L296-C299 VanDerWaalsContact O-N 3.13Å; C299-R301 VanDerWaalsContact C-N 3.34Å; C299-R301 PolarHBondContact O-N 3.08Å; C299-E302 PolarHBondContact O-N 3.03Å; C299-G303 PolarHBondContact O-N 3.05Å; C299-T304 CarbonylContact C-O 3.6Å; C299-T304 VanDerWaalsContact CB-O 3.32Å; C299-T304 WeakPolarHBondContact CB-O 3.27Å; C299-T304 PolarHBondContact O-N 3.27Å; C299-P413 HydrophobicContact CB-CB 4.22Å; C299-P413 HydrophobicContact CB-CG 4.16Å |
| 300 | D | 94.9 | Very high | 95.7 | Very high | 111 Ų | 111 | 40 Ų | 40 | 59% | 0.594 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61 | -41.4 | 175.2 | -65.1 | -25.5 | 0 | 0 | 0 | 111.4 | L296 | L296-D300 PolarHBondContact O-N 3.42Å |
| 301 | R | 93.1 | Very high | 95.9 | Very high | 90 Ų | 90 | 44.1 Ų | 44.1 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.1 | -177.1 | 171.7 | 84.6 | -142.2 | 6.3 | 112.5 | D288 R289 T297 L298 C299 E347 | D288-R301 PolarHBondContact O-NH1 2.67Å; R289-R301 PolarHBondContact O-NH1 2.94Å; R289-R301 PolarHBondContact O-NH2 3.45Å; R289-R301 VanDerWaalsContact O-NH2 3.1Å; T297-R301 WeakPolarHBondContact O-CB 3.33Å; T297-R301 PolarHBondContact O-N 3.38Å; L298-R301 PolarHBondContact O-N 2.99Å; C299-R301 VanDerWaalsContact C-N 3.34Å; C299-R301 PolarHBondContact O-N 3.08Å; R301-E347 IonicContact CZ-OE1 2.66Å; R301-E347 IonicContact NE-OE1 3.38Å; R301-E347 PolarHBondContact NE-OE1 2.98Å; R301-E347 IonicContact NH2-OE1 3.49Å; R301-E347 PolarHBondContact NH2-OE1 2.9Å |
| 302 | E | 94.1 | Very high | 96 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -80.3 | -15.4 | -178.4 | -76.5 | -173.8 | 171.9 | 0 | 0 | 114.4 | L298 C299 T304 P307 K308 | L298-E302 HydrophobicContact CD1-CG 4.31Å; L298-E302 WeakPolarHBondContact O-CB 3.18Å; L298-E302 WeakPolarHBondContact O-CG 3.41Å; L298-E302 PolarHBondContact O-N 2.79Å; C299-E302 PolarHBondContact O-N 3.03Å; E302-T304 HydrophobicContact CB-CG2 4.09Å; E302-T304 PolarHBondContact OE2-OG1 3.48Å; E302-P307 VanDerWaalsContact OE2-CA 3.28Å; E302-P307 WeakPolarHBondContact OE2-CA 3.35Å; E302-K308 HydrophobicContact CB-CD 4.43Å; E302-K308 HydrophobicContact CG-CD 4.12Å; E302-K308 PolarHBondContact O-NZ 2.85Å; E302-K308 PolarHBondContact OE1-N 3.08Å; E302-K308 WeakPolarHBondContact OE2-CG 3.27Å; E302-K308 PolarHBondContact OE2-N 3.1Å |
| 303 | G | 95 | Very high | 96.1 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 76% | 0.763 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 25.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C299 | C299-G303 PolarHBondContact O-N 3.05Š|
| 304 | T | 96.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -123.7 | 173.3 | -173.2 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | C299 E302 I306 K308 | C299-T304 CarbonylContact C-O 3.6Å; C299-T304 VanDerWaalsContact CB-O 3.32Å; C299-T304 WeakPolarHBondContact CB-O 3.27Å; C299-T304 PolarHBondContact O-N 3.27Å; E302-T304 HydrophobicContact CB-CG2 4.09Å; E302-T304 PolarHBondContact OE2-OG1 3.48Å; T304-I306 WeakPolarHBondContact CB-O 3.39Å; T304-I306 PolarHBondContact OG1-O 3.31Å; T304-I306 VanDerWaalsContact OG1-O 3.05Å; T304-K308 HydrophobicContact CG2-CG 4.48Å |
| 305 | T | 97 | Very high | 96.5 | Very high | 46 Ų | 46 | 44.6 Ų | 44.6 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -109.7 | 2.8 | 163.7 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | K412 P413 D416 | T305-K412 HydrophobicContact CG2-CD 3.88Å; T305-K412 HydrophobicContact CG2-CG 4.07Å; T305-P413 VanDerWaalsContact O-CA 3.31Å; T305-P413 WeakPolarHBondContact O-CA 3.39Å; T305-D416 WeakPolarHBondContact CB-OD2 3.24Å; T305-D416 PolarHBondContact OG1-OD2 2.84Å |
| 306 | I | 97.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -142.3 | 125.9 | 179.4 | -53.8 | 179.4 | 0 | 0 | 0 | 106.6 | T304 K308 V310 D416 L420 | T304-I306 WeakPolarHBondContact CB-O 3.39Å; T304-I306 PolarHBondContact OG1-O 3.31Å; T304-I306 VanDerWaalsContact OG1-O 3.05Å; I306-K308 PolarHBondContact O-N 3.33Å; I306-V310 HydrophobicContact CG2-CB 4.49Å; I306-V310 HydrophobicContact CG2-CG1 4.35Å; I306-D416 HydrophobicContact CD1-CB 4.05Å; I306-D416 WeakPolarHBondContact CD1-O 3.47Å; I306-D416 HydrophobicContact CG1-CB 3.73Å; I306-L420 HydrophobicContact CD1-CB 3.95Å; I306-L420 HydrophobicContact CD1-CD2 4.01Å; I306-L420 HydrophobicContact CG2-CD2 3.83Å |
| 307 | P | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -54.8 | 133.5 | 179.3 | -26.7 | 35.1 | 0 | 0 | 0 | 112.3 | L295 L298 E302 F309 V310 R311 F370 | L295-P307 HydrophobicContact CD1-CG 3.42Å; L295-P307 VanDerWaalsContact CD1-CG 3.42Å; L298-P307 HydrophobicContact CD2-CB 3.9Å; L298-P307 HydrophobicContact CD2-CG 4Å; E302-P307 VanDerWaalsContact OE2-CA 3.28Å; E302-P307 WeakPolarHBondContact OE2-CA 3.35Å; P307-F309 VanDerWaalsContact C-N 3.25Å; P307-F309 PolarHBondContact O-N 3.41Å; P307-V310 HydrophobicContact CB-CB 4.3Å; P307-V310 HydrophobicContact CB-CG2 4Å; P307-V310 HydrophobicContact CG-CG2 4.23Å; P307-V310 WeakPolarHBondContact O-CB 3.34Å; P307-V310 PolarHBondContact O-N 3.32Å; P307-R311 PolarHBondContact O-N 3.05Å; P307-R311 VanDerWaalsContact O-N 3.17Å; P307-F370 HydrophobicContact CB-CZ 3.98Å; P307-F370 HydrophobicContact CG-CE1 4.18Å; P307-F370 HydrophobicContact CG-CZ 3.76Å | ||
| 308 | K | 96.5 | Very high | 96.8 | Very high | 102 Ų | 102 | 39.8 Ų | 39.8 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -54.4 | -43.6 | 179.1 | -72.8 | 165.5 | -172.3 | 170.2 | 0 | 111.2 | E302 T304 I306 V310 R311 I312 | E302-K308 HydrophobicContact CB-CD 4.43Å; E302-K308 HydrophobicContact CG-CD 4.12Å; E302-K308 PolarHBondContact O-NZ 2.85Å; E302-K308 PolarHBondContact OE1-N 3.08Å; E302-K308 WeakPolarHBondContact OE2-CG 3.27Å; E302-K308 PolarHBondContact OE2-N 3.1Å; T304-K308 HydrophobicContact CG2-CG 4.48Å; I306-K308 PolarHBondContact O-N 3.33Å; K308-V310 VanDerWaalsContact C-N 3.35Å; K308-V310 PolarHBondContact O-N 2.94Å; K308-R311 WeakPolarHBondContact O-CB 3.46Å; K308-R311 PolarHBondContact O-N 3.47Å; K308-I312 HydrophobicContact CB-CD1 4.45Å; K308-I312 WeakPolarHBondContact O-CD1 3.2Å; K308-I312 VanDerWaalsContact O-CG1 3.27Å; K308-I312 WeakPolarHBondContact O-CG1 3.43Å; K308-I312 PolarHBondContact O-N 3.35Å |
| 309 | F | 97.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.6 | -44.3 | 176 | 177.1 | -107.7 | 0 | 0 | 0 | 113.1 | V290 F291 P307 R311 I312 C313 V344 L350 A366 F370 | V290-F309 HydrophobicContact CG1-CB 4.44Å; F291-F309 HydrophobicContact CE1-CE1 4.41Å; F291-F309 HydrophobicContact CE2-CD1 4.38Å; F291-F309 HydrophobicContact CE2-CE1 4.08Å; F291-F309 HydrophobicContact CE2-CZ 4.16Å; F291-F309 HydrophobicContact CZ-CD1 4.27Å; F291-F309 AromaticContact CZ-CE1 3.58Å; F291-F309 HydrophobicContact CZ-CE1 3.58Å; F291-F309 HydrophobicContact CZ-CE2 4.44Å; F291-F309 AromaticContact CZ-CZ 3.68Å; F291-F309 HydrophobicContact CZ-CZ 3.68Å; P307-F309 VanDerWaalsContact C-N 3.25Å; P307-F309 PolarHBondContact O-N 3.41Å; F309-R311 PolarHBondContact O-N 3.47Å; F309-I312 PolarHBondContact O-N 3.4Å; F309-C313 WeakPolarHBondContact CE2-SG 3.31Å; F309-C313 WeakPolarHBondContact CZ-SG 3.3Å; F309-C313 WeakPolarHBondContact O-CB 3.46Å; F309-C313 PolarHBondContact O-N 3.12Å; F309-C313 PolarHBondContact O-SG 3.43Å; F309-V344 HydrophobicContact CB-CG1 4.13Å; F309-V344 HydrophobicContact CD2-CB 4.3Å; F309-V344 HydrophobicContact CD2-CG1 3.72Å; F309-V344 HydrophobicContact CD2-CG2 3.61Å; F309-V344 HydrophobicContact CE2-CG1 4.35Å; F309-V344 HydrophobicContact CE2-CG2 3.71Å; F309-V344 HydrophobicContact CG-CG1 3.93Å; F309-L350 HydrophobicContact CD2-CD2 3.98Å; F309-L350 HydrophobicContact CE2-CD2 4.24Å; F309-A366 HydrophobicContact CZ-CB 3.89Å; F309-F370 HydrophobicContact CD1-CB 4.04Å; F309-F370 AromaticContact CD1-CD2 3.99Å; F309-F370 HydrophobicContact CD1-CD2 3.99Å; F309-F370 AromaticContact CD1-CG 4Å; F309-F370 HydrophobicContact CD1-CG 4Å; F309-F370 HydrophobicContact CE1-CB 3.74Å; F309-F370 HydrophobicContact CE1-CD2 4.49Å; F309-F370 HydrophobicContact CE1-CG 4.23Å |
| 310 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 178 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | I306 P307 K308 C313 L314 L367 F370 F371 T417 | I306-V310 HydrophobicContact CG2-CB 4.49Å; I306-V310 HydrophobicContact CG2-CG1 4.35Å; P307-V310 HydrophobicContact CB-CB 4.3Å; P307-V310 HydrophobicContact CB-CG2 4Å; P307-V310 HydrophobicContact CG-CG2 4.23Å; P307-V310 WeakPolarHBondContact O-CB 3.34Å; P307-V310 PolarHBondContact O-N 3.32Å; K308-V310 VanDerWaalsContact C-N 3.35Å; K308-V310 PolarHBondContact O-N 2.94Å; V310-C313 PolarHBondContact O-N 2.84Å; V310-L314 HydrophobicContact CG1-CD1 3.75Å; V310-L314 HydrophobicContact CG1-CG 4.39Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 3.21Å; V310-L367 HydrophobicContact CB-CD1 4.27Å; V310-L367 HydrophobicContact CG1-CD1 4.19Å; V310-L367 HydrophobicContact CG2-CD1 3.98Å; V310-F370 HydrophobicContact CG2-CD1 3.57Å; V310-F370 HydrophobicContact CG2-CE1 3.4Å; V310-F370 VanDerWaalsContact CG2-CE1 3.4Å; V310-F370 HydrophobicContact CG2-CG 4.45Å; V310-F370 HydrophobicContact CG2-CZ 4.16Å; V310-F371 HydrophobicContact CG1-CZ 4.1Å; V310-F371 HydrophobicContact CG2-CE1 4.49Å; V310-F371 HydrophobicContact CG2-CZ 4.07Å; V310-T417 HydrophobicContact CG1-CG2 4.36Å |
| 311 | R | 97.7 | Very high | 96.8 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 35% | 0.347 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.1 | -53.8 | 176.8 | 180 | -177 | -53.4 | -73.6 | -4.2 | 111.7 | P307 K308 F309 C313 L314 E315 L420 | P307-R311 PolarHBondContact O-N 3.05Å; P307-R311 VanDerWaalsContact O-N 3.17Å; K308-R311 WeakPolarHBondContact O-CB 3.46Å; K308-R311 PolarHBondContact O-N 3.47Å; F309-R311 PolarHBondContact O-N 3.47Å; R311-C313 VanDerWaalsContact C-N 3.33Å; R311-C313 PolarHBondContact O-N 3.18Å; R311-L314 PolarHBondContact O-N 2.85Å; R311-L314 VanDerWaalsContact O-N 3.15Å; R311-E315 WeakPolarHBondContact CD-OE1 3.33Å; R311-E315 VanDerWaalsContact CG-CD 3.5Å; R311-E315 HydrophobicContact CG-CG 4.39Å; R311-E315 WeakPolarHBondContact CG-OE1 3.48Å; R311-E315 WeakPolarHBondContact O-CB 3.26Å; R311-E315 WeakPolarHBondContact O-CG 3.43Å; R311-E315 PolarHBondContact O-N 3.44Å; R311-L420 HydrophobicContact CB-CD2 4.49Å |
| 312 | I | 97.1 | Very high | 97 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 29% | 0.292 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.6 | -42.4 | -177.3 | -66.1 | 161.9 | 0 | 0 | 0 | 111 | K308 F309 A316 L350 L352 | K308-I312 HydrophobicContact CB-CD1 4.45Å; K308-I312 WeakPolarHBondContact O-CD1 3.2Å; K308-I312 VanDerWaalsContact O-CG1 3.27Å; K308-I312 WeakPolarHBondContact O-CG1 3.43Å; K308-I312 PolarHBondContact O-N 3.35Å; F309-I312 PolarHBondContact O-N 3.4Å; I312-A316 WeakPolarHBondContact O-CB 3.13Å; I312-A316 PolarHBondContact O-N 2.87Å; I312-L350 HydrophobicContact CG2-CD2 4.01Å; I312-L352 HydrophobicContact CG2-CD1 3.71Å; I312-L352 HydrophobicContact CG2-CG 3.88Å |
| 313 | C | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.9 | -75.8 | 0 | 0 | 0 | 0 | 113.3 | F309 V310 R311 A316 V317 I363 L367 | F309-C313 WeakPolarHBondContact CE2-SG 3.31Å; F309-C313 WeakPolarHBondContact CZ-SG 3.3Å; F309-C313 WeakPolarHBondContact O-CB 3.46Å; F309-C313 PolarHBondContact O-N 3.12Å; F309-C313 PolarHBondContact O-SG 3.43Å; V310-C313 PolarHBondContact O-N 2.84Å; R311-C313 VanDerWaalsContact C-N 3.33Å; R311-C313 PolarHBondContact O-N 3.18Å; C313-A316 PolarHBondContact O-N 3.35Å; C313-V317 VanDerWaalsContact O-CG2 3.26Å; C313-V317 WeakPolarHBondContact O-CG2 3.34Å; C313-V317 PolarHBondContact O-N 3.15Å; C313-I363 HydrophobicContact CB-CG2 3.87Å; C313-L367 HydrophobicContact CB-CB 4.13Å; C313-L367 HydrophobicContact CB-CD1 4.19Å; C313-L367 HydrophobicContact CB-CD2 4.14Å; C313-L367 HydrophobicContact CB-CG 4.38Å |
| 314 | L | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | -179.4 | -66.5 | 171.8 | 0 | 0 | 0 | 110.9 | V310 R311 V317 E318 L367 L420 L421 H424 | V310-L314 HydrophobicContact CG1-CD1 3.75Å; V310-L314 HydrophobicContact CG1-CG 4.39Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 3.21Å; R311-L314 PolarHBondContact O-N 2.85Å; R311-L314 VanDerWaalsContact O-N 3.15Å; L314-V317 PolarHBondContact O-N 3.27Å; L314-E318 WeakPolarHBondContact O-CG 3.35Å; L314-E318 PolarHBondContact O-N 3.07Å; L314-L367 HydrophobicContact CD2-CD2 3.48Å; L314-L367 VanDerWaalsContact CD2-CD2 3.48Å; L314-L367 HydrophobicContact CG-CD2 3.98Å; L314-L420 HydrophobicContact CD1-CD2 3.79Å; L314-L420 HydrophobicContact CD1-CG 3.74Å; L314-L421 HydrophobicContact CD2-CD1 4Å; L314-H424 HydrophobicContact CD1-CB 4.49Å; L314-H424 HydrophobicContact CD2-CB 3.81Å; L314-H424 VanDerWaalsContact CD2-CD2 3.46Å; L314-H424 WeakPolarHBondContact CD2-CD2 3.46Å; L314-H424 VanDerWaalsContact CD2-CG 3.46Å; L314-H424 PolarHBondContact O-CE1 3.48Å |
| 315 | E | 97.6 | Very high | 97.3 | Very high | 101 Ų | 101 | 44.2 Ų | 44.2 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.8 | -72.7 | 168.1 | -173.4 | 0 | 0 | 111.8 | R311 V317 E318 K319 | R311-E315 WeakPolarHBondContact CD-OE1 3.33Å; R311-E315 VanDerWaalsContact CG-CD 3.5Å; R311-E315 HydrophobicContact CG-CG 4.39Å; R311-E315 WeakPolarHBondContact CG-OE1 3.48Å; R311-E315 WeakPolarHBondContact O-CB 3.26Å; R311-E315 WeakPolarHBondContact O-CG 3.43Å; R311-E315 PolarHBondContact O-N 3.44Å; E315-V317 PolarHBondContact O-N 3.25Å; E315-E318 PolarHBondContact O-N 2.86Å; E315-K319 WeakPolarHBondContact O-CB 3.09Å; E315-K319 PolarHBondContact O-N 3.33Å |
| 316 | A | 97.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 42 Ų | 42 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I312 C313 K319 R320 L352 I363 | I312-A316 WeakPolarHBondContact O-CB 3.13Å; I312-A316 PolarHBondContact O-N 2.87Å; C313-A316 PolarHBondContact O-N 3.35Å; A316-K319 PolarHBondContact O-N 3.23Å; A316-R320 WeakPolarHBondContact O-CG 3.46Å; A316-R320 PolarHBondContact O-N 3.39Å; A316-L352 HydrophobicContact CB-CB 3.89Å; A316-L352 HydrophobicContact CB-CD1 3.86Å; A316-I363 HydrophobicContact CB-CD1 4.03Å |
| 317 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.3 | -35.5 | 176 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | C313 L314 E315 G321 L322 I327 Y328 V360 I363 T364 | C313-V317 VanDerWaalsContact O-CG2 3.26Å; C313-V317 WeakPolarHBondContact O-CG2 3.34Å; C313-V317 PolarHBondContact O-N 3.15Å; L314-V317 PolarHBondContact O-N 3.27Å; E315-V317 PolarHBondContact O-N 3.25Å; V317-G321 CarbonylContact O-C 3.39Å; V317-G321 WeakPolarHBondContact O-CA 3.26Å; V317-G321 PolarHBondContact O-N 3.46Å; V317-L322 PolarHBondContact O-N 3.48Å; V317-I327 HydrophobicContact CG1-CD1 4.18Å; V317-I327 HydrophobicContact CG1-CG1 4.12Å; V317-Y328 HydrophobicContact CG1-CE2 4.09Å; V317-V360 HydrophobicContact CG2-CG2 3.99Å; V317-I363 HydrophobicContact CG2-CB 4.44Å; V317-I363 HydrophobicContact CG2-CG2 3.81Å; V317-T364 HydrophobicContact CG1-CG2 4.23Å; V317-T364 HydrophobicContact CG2-CG2 3.63Å |
| 318 | E | 97.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 173.4 | -71.2 | -177.1 | -164.2 | 0 | 0 | 112.6 | L314 E315 L322 H424 K427 | L314-E318 WeakPolarHBondContact O-CG 3.35Å; L314-E318 PolarHBondContact O-N 3.07Å; E315-E318 PolarHBondContact O-N 2.86Å; E318-L322 HydrophobicContact CG-CD2 4.43Å; E318-L322 WeakPolarHBondContact O-CD1 3.25Å; E318-H424 WeakPolarHBondContact CG-ND1 3.43Å; E318-H424 IonicContact OE1-CG 2.94Å; E318-H424 IonicContact OE1-ND1 2.67Å; E318-H424 PolarHBondContact OE1-ND1 2.79Å; E318-K427 VanDerWaalsContact CD-CD 3.42Å; E318-K427 HydrophobicContact CG-CD 4.18Å; E318-K427 VanDerWaalsContact OE1-CD 3.28Å; E318-K427 WeakPolarHBondContact OE1-CD 3.12Å; E318-K427 IonicContact OE1-NZ 2.72Å; E318-K427 PolarHBondContact OE1-NZ 3.37Å; E318-K427 WeakPolarHBondContact OE2-CD 3.39Å; E318-K427 IonicContact OE2-NZ 2.8Å; E318-K427 PolarHBondContact OE2-NZ 2.98Å |
| 319 | K | 96.1 | Very high | 97.4 | Very high | 140 Ų | 140 | 42.2 Ų | 42.2 | 61% | 0.609 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -66.4 | -38.6 | -177.2 | -175.7 | 179.3 | 177.9 | -174.1 | 0 | 113.5 | E315 A316 D353 | E315-K319 WeakPolarHBondContact O-CB 3.09Å; E315-K319 PolarHBondContact O-N 3.33Å; A316-K319 PolarHBondContact O-N 3.23Å; K319-D353 WeakPolarHBondContact CE-OD1 3.48Å; K319-D353 IonicContact NZ-OD1 2.8Å; K319-D353 PolarHBondContact NZ-OD1 3.42Å; K319-D353 IonicContact NZ-OD2 3.19Å; K319-D353 PolarHBondContact NZ-OD2 2.85Å |
| 320 | R | 95.4 | Very high | 97.4 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 28% | 0.275 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -146.8 | 15 | -169.9 | 63.8 | 177.1 | -178.6 | 89 | -12.7 | 116.1 | A316 L352 W357 E358 | A316-R320 WeakPolarHBondContact O-CG 3.46Å; A316-R320 PolarHBondContact O-N 3.39Å; R320-L352 PolarHBondContact NH2-O 3.45Å; R320-W357 PolarHBondContact NH2-O 3.27Å; R320-E358 PolarHBondContact NH1-O 2.97Å |
| 321 | G | 95.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -127.1 | -8.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | V317 D323 A324 | V317-G321 CarbonylContact O-C 3.39Å; V317-G321 WeakPolarHBondContact O-CA 3.26Å; V317-G321 PolarHBondContact O-N 3.46Å; G321-D323 VanDerWaalsContact C-N 3.27Å; G321-D323 PolarHBondContact O-N 3.31Å; G321-A324 PolarHBondContact O-N 3.15Å | ||
| 322 | L | 97.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -24.1 | -171.3 | -66.3 | 179.2 | 0 | 0 | 0 | 113.9 | V317 E318 K427 V428 F431 N435 | V317-L322 PolarHBondContact O-N 3.48Å; E318-L322 HydrophobicContact CG-CD2 4.43Å; E318-L322 WeakPolarHBondContact O-CD1 3.25Å; L322-K427 HydrophobicContact CD2-CB 4.49Å; L322-V428 HydrophobicContact CD2-CG2 3.91Å; L322-F431 HydrophobicContact CB-CB 4.36Å; L322-F431 HydrophobicContact CB-CD1 3.98Å; L322-F431 HydrophobicContact CB-CD2 4.16Å; L322-F431 HydrophobicContact CB-CE1 4.29Å; L322-F431 HydrophobicContact CB-CE2 4.46Å; L322-F431 HydrophobicContact CB-CG 3.92Å; L322-F431 HydrophobicContact CD1-CD2 4.2Å; L322-F431 HydrophobicContact CD1-CE2 3.93Å; L322-F431 HydrophobicContact CD1-CZ 4.26Å; L322-F431 WeakPolarHBondContact O-CB 3.49Å; L322-N435 WeakPolarHBondContact O-CB 3.18Å; L322-N435 PolarHBondContact O-ND2 3.19Å |
| 323 | D | 97 | Very high | 97.4 | Very high | 80 Ų | 80 | 47.2 Ų | 47.2 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 1.1 | 178.2 | 56.2 | -12 | 0 | 0 | 0 | 114.5 | G321 K434 | G321-D323 VanDerWaalsContact C-N 3.27Å; G321-D323 PolarHBondContact O-N 3.31Å; D323-K434 HydrophobicContact CB-CB 4.02Å; D323-K434 HydrophobicContact CB-CD 3.6Å; D323-K434 IonicContact OD2-NZ 3.47Å |
| 324 | A | 97.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -69.9 | 129.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G321 G326 I327 V360 N435 | G321-A324 PolarHBondContact O-N 3.15Å; A324-G326 PolarHBondContact O-N 3Å; A324-I327 HydrophobicContact CB-CD1 4.37Å; A324-I327 WeakPolarHBondContact O-CB 3.3Å; A324-I327 PolarHBondContact O-N 3.48Å; A324-I327 VanDerWaalsContact O-N 3.08Å; A324-V360 HydrophobicContact CB-CG1 3.78Å; A324-N435 VanDerWaalsContact O-CB 3.25Å; A324-N435 WeakPolarHBondContact O-CB 3.39Å |
| 325 | D | 97.4 | Very high | 97.3 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 121.7 | -177.7 | -79.4 | 7.9 | 0 | 0 | 0 | 112.9 | I327 H361 | D325-I327 VanDerWaalsContact C-N 3.29Å; D325-I327 PolarHBondContact O-N 2.94Å; D325-H361 PolarHBondContact O-CE1 3.38Å |
| 326 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 33.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A324 Y328 R329 V330 N435 | A324-G326 PolarHBondContact O-N 3Å; G326-Y328 PolarHBondContact O-N 2.85Å; G326-R329 CarbonylContact O-C 3.57Å; G326-R329 WeakPolarHBondContact O-CA 3.23Å; G326-R329 WeakPolarHBondContact O-CB 3.3Å; G326-R329 PolarHBondContact O-N 3.34Å; G326-V330 PolarHBondContact O-N 3.09Å; G326-N435 WeakPolarHBondContact CA-O 3.43Å; G326-N435 PolarHBondContact N-O 3.48Å |
| 327 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 137.9 | 172.5 | -167.7 | 65 | 0 | 0 | 0 | 111.3 | V317 A324 D325 R329 V360 T364 V428 N435 M437 | V317-I327 HydrophobicContact CG1-CD1 4.18Å; V317-I327 HydrophobicContact CG1-CG1 4.12Å; A324-I327 HydrophobicContact CB-CD1 4.37Å; A324-I327 WeakPolarHBondContact O-CB 3.3Å; A324-I327 PolarHBondContact O-N 3.48Å; A324-I327 VanDerWaalsContact O-N 3.08Å; D325-I327 VanDerWaalsContact C-N 3.29Å; D325-I327 PolarHBondContact O-N 2.94Å; I327-R329 PolarHBondContact O-N 3.48Å; I327-V360 HydrophobicContact CD1-CB 4.43Å; I327-V360 HydrophobicContact CD1-CG1 3.76Å; I327-V360 HydrophobicContact CD1-CG2 3.85Å; I327-T364 HydrophobicContact CD1-CG2 3.53Å; I327-T364 HydrophobicContact CG1-CG2 4.07Å; I327-V428 HydrophobicContact CG2-CG1 3.57Å; I327-N435 HydrophobicContact CG2-CB 3.91Å; I327-M437 HydrophobicContact CG2-CG 4.01Å; I327-M437 WeakPolarHBondContact O-CE 3.35Å; I327-M437 WeakPolarHBondContact O-CG 3.4Å |
| 328 | Y | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -26.7 | -166.5 | -63.7 | -78 | 0 | 0 | 0 | 117.7 | V317 G326 T364 L367 K368 H424 L425 V428 V445 F446 | V317-Y328 HydrophobicContact CG1-CE2 4.09Å; G326-Y328 PolarHBondContact O-N 2.85Å; Y328-T364 HydrophobicContact CD1-CG2 3.67Å; Y328-T364 HydrophobicContact CD2-CG2 4.19Å; Y328-T364 HydrophobicContact CE1-CG2 3.43Å; Y328-T364 VanDerWaalsContact CE1-CG2 3.43Å; Y328-T364 HydrophobicContact CE2-CG2 3.98Å; Y328-T364 HydrophobicContact CG-CG2 4.04Å; Y328-L367 HydrophobicContact CE1-CD2 4.15Å; Y328-K368 HydrophobicContact CD1-CD 4.49Å; Y328-K368 HydrophobicContact CD1-CG 4.42Å; Y328-K368 WeakPolarHBondContact O-CE 3.31Å; Y328-K368 PolarHBondContact O-NZ 3.33Å; Y328-H424 AromaticContact CE2-CD2 3.99Å; Y328-H424 AromaticContact CE2-NE2 3.43Å; Y328-H424 WeakPolarHBondContact CE2-NE2 3.49Å; Y328-H424 AromaticContact CZ-CD2 3.99Å; Y328-H424 AromaticContact CZ-NE2 3.52Å; Y328-H424 PolarHBondContact OH-CD2 3.14Å; Y328-H424 VanDerWaalsContact OH-CD2 3.29Å; Y328-H424 PolarHBondContact OH-NE2 2.82Å; Y328-L425 HydrophobicContact CD2-CD2 4.23Å; Y328-L425 HydrophobicContact CE2-CD2 4.12Å; Y328-V428 HydrophobicContact CD2-CG2 4.49Å; Y328-V428 HydrophobicContact CE2-CG2 4.01Å; Y328-V445 WeakPolarHBondContact O-CG1 3.46Å; Y328-F446 AromaticContact CD1-CE2 3.65Å; Y328-F446 HydrophobicContact CD1-CE2 3.65Å; Y328-F446 AromaticContact CD1-CZ 3.46Å; Y328-F446 HydrophobicContact CD1-CZ 3.46Å; Y328-F446 VanDerWaalsContact CD1-CZ 3.46Å; Y328-F446 HydrophobicContact CD2-CE2 4.38Å; Y328-F446 HydrophobicContact CE1-CE2 4.25Å; Y328-F446 AromaticContact CE1-CZ 3.69Å; Y328-F446 HydrophobicContact CE1-CZ 3.69Å; Y328-F446 AromaticContact CG-CE2 3.73Å; Y328-F446 HydrophobicContact CG-CE2 3.73Å; Y328-F446 HydrophobicContact CG-CZ 4.02Å |
| 329 | R | 98.1 | Very high | 97.2 | Very high | 121 Ų | 121 | 58.9 Ų | 58.9 | 46% | 0.457 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -46.5 | 175.3 | -179.9 | 179.2 | 68.6 | -138.9 | -0.3 | 112.2 | G326 I327 L436 M437 V445 | G326-R329 CarbonylContact O-C 3.57Å; G326-R329 WeakPolarHBondContact O-CA 3.23Å; G326-R329 WeakPolarHBondContact O-CB 3.3Å; G326-R329 PolarHBondContact O-N 3.34Å; I327-R329 PolarHBondContact O-N 3.48Å; R329-L436 PolarHBondContact NH1-O 2.99Å; R329-M437 HydrophobicContact CB-CE 3.82Å; R329-M437 HydrophobicContact CB-SD 3.62Å; R329-M437 PolarHBondContact NH1-SD 2.88Å; R329-M437 VanDerWaalsContact NH1-SD 3.38Å; R329-V445 HydrophobicContact CB-CG2 4.39Å |
| 330 | V | 98.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 35% | 0.352 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -68.7 | 146.4 | 177.1 | 175.9 | 0 | 0 | 0 | 0 | 110 | G326 H361 | G326-V330 PolarHBondContact O-N 3.09Å; V330-H361 HydrophobicContact CG1-CB 4.37Å |
| 331 | S | 97.2 | Very high | 97.2 | Very high | 101 Ų | 101 | 50.4 Ų | 50.4 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | trans | -102 | 122.5 | 178.6 | -68 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 332 | G | 97.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | trans | -72.6 | 175 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L334 H361 | G332-L334 PolarHBondContact O-N 2.78Å; G332-L334 VanDerWaalsContact O-N 3.14Å; G332-H361 VanDerWaalsContact CA-C 3.48Å; G332-H361 WeakPolarHBondContact CA-O 3.39Å; G332-H361 PolarHBondContact N-O 2.72Å | ||
| 333 | N | 97.8 | Very high | 96.8 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | trans | -62.1 | 116 | -179.6 | -175.2 | -28.7 | 0 | 0 | 0 | 111.7 | A335 T336 I337 | N333-A335 VanDerWaalsContact C-N 3.29Å; N333-A335 PolarHBondContact O-N 3.24Å; N333-A335 WeakPolarHBondContact OD1-CB 3.5Å; N333-A335 PolarHBondContact OD1-N 3.13Å; N333-T336 PolarHBondContact O-N 3.32Å; N333-T336 VanDerWaalsContact O-N 3.1Å; N333-I337 WeakPolarHBondContact O-CG1 3.3Å; N333-I337 PolarHBondContact O-N 3.41Å | ||
| 334 | L | 96.8 | Very high | 96.7 | Very high | 109 Ų | 109 | 53 Ų | 53 | 57% | 0.571 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.8 | -34.2 | -177.2 | -177.1 | 60.7 | 0 | 0 | 0 | 113.4 | G332 I337 Q338 M369 | G332-L334 PolarHBondContact O-N 2.78Å; G332-L334 VanDerWaalsContact O-N 3.14Å; L334-I337 PolarHBondContact O-N 3.14Å; L334-Q338 HydrophobicContact CD1-CG 4.41Å; L334-Q338 VanDerWaalsContact O-CG 3.3Å; L334-Q338 WeakPolarHBondContact O-CG 3.27Å; L334-Q338 PolarHBondContact O-N 3.03Å; L334-M369 HydrophobicContact CD1-CE 3.8Å |
| 335 | A | 97.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.2 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | N333 Q338 K339 | N333-A335 VanDerWaalsContact C-N 3.29Å; N333-A335 PolarHBondContact O-N 3.24Å; N333-A335 WeakPolarHBondContact OD1-CB 3.5Å; N333-A335 PolarHBondContact OD1-N 3.13Å; A335-Q338 PolarHBondContact O-N 3.4Å; A335-K339 PolarHBondContact O-N 2.93Å |
| 336 | T | 97.4 | Very high | 96.1 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -39 | 175.1 | -44.3 | 0 | 0 | 0 | 0 | 111.4 | N333 Q338 K339 L340 W357 V362 | N333-T336 PolarHBondContact O-N 3.32Å; N333-T336 VanDerWaalsContact O-N 3.1Å; T336-Q338 VanDerWaalsContact C-N 3.35Å; T336-Q338 PolarHBondContact O-N 3.43Å; T336-K339 WeakPolarHBondContact O-CB 3.32Å; T336-K339 PolarHBondContact O-N 3.01Å; T336-L340 PolarHBondContact O-N 2.89Å; T336-W357 HydrophobicContact CG2-CE3 3.93Å; T336-W357 HydrophobicContact CG2-CZ3 3.77Å; T336-V362 HydrophobicContact CG2-CG1 3.92Å; T336-V362 HydrophobicContact CG2-CG2 3.91Å |
| 337 | I | 97.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 172.7 | -65.3 | 165.4 | 0 | 0 | 0 | 110.9 | N333 L334 L340 R341 V362 A366 M369 | N333-I337 WeakPolarHBondContact O-CG1 3.3Å; N333-I337 PolarHBondContact O-N 3.41Å; L334-I337 PolarHBondContact O-N 3.14Å; I337-L340 PolarHBondContact O-N 3.23Å; I337-R341 WeakPolarHBondContact O-CB 3.36Å; I337-R341 PolarHBondContact O-N 3.39Å; I337-V362 HydrophobicContact CG1-CB 4.23Å; I337-V362 HydrophobicContact CG1-CG1 3.86Å; I337-V362 HydrophobicContact CG1-CG2 4.45Å; I337-A366 HydrophobicContact CG2-CB 4.04Å; I337-M369 HydrophobicContact CG2-CE 3.47Å; I337-M369 VanDerWaalsContact CG2-CE 3.47Å; I337-M369 HydrophobicContact CG2-SD 3.76Å |
| 338 | Q | 96.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 38% | 0.379 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.7 | -33.4 | 176.7 | -71.5 | -65.5 | -25.5 | 0 | 0 | 112.6 | L334 A335 T336 R341 F342 | L334-Q338 HydrophobicContact CD1-CG 4.41Å; L334-Q338 VanDerWaalsContact O-CG 3.3Å; L334-Q338 WeakPolarHBondContact O-CG 3.27Å; L334-Q338 PolarHBondContact O-N 3.03Å; A335-Q338 PolarHBondContact O-N 3.4Å; T336-Q338 VanDerWaalsContact C-N 3.35Å; T336-Q338 PolarHBondContact O-N 3.43Å; Q338-R341 VanDerWaalsContact OE1-CD 3.26Å; Q338-F342 PolarHBondContact O-N 2.8Å |
| 339 | K | 95.4 | Very high | 94 | Very high | 104 Ų | 104 | 72.9 Ų | 72.9 | 45% | 0.452 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 170.9 | -169.3 | -163.8 | 177.3 | -158.7 | 0 | 111.3 | A335 T336 F342 I343 W357 | A335-K339 PolarHBondContact O-N 2.93Å; T336-K339 WeakPolarHBondContact O-CB 3.32Å; T336-K339 PolarHBondContact O-N 3.01Å; K339-F342 PolarHBondContact O-N 2.81Å; K339-I343 HydrophobicContact CG-CD1 4.28Å; K339-I343 PolarHBondContact O-N 2.78Å; K339-I343 VanDerWaalsContact O-N 3.12Å; K339-W357 HydrophobicContact CB-CH2 4.37Å; K339-W357 HydrophobicContact CD-CH2 4.01Å; K339-W357 HydrophobicContact CD-CZ3 4.38Å; K339-W357 HydrophobicContact CG-CH2 4.18Å |
| 340 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.1 | 177.6 | 53.6 | 0 | 0 | 0 | 111.1 | T336 I337 F342 I343 V344 L350 L352 W357 V362 A366 | T336-L340 PolarHBondContact O-N 2.89Å; I337-L340 PolarHBondContact O-N 3.23Å; L340-F342 VanDerWaalsContact C-N 3.27Å; L340-F342 PolarHBondContact O-N 2.75Å; L340-I343 PolarHBondContact O-N 3.29Å; L340-V344 HydrophobicContact CD1-CG2 4.03Å; L340-V344 VanDerWaalsContact O-CG2 3.31Å; L340-V344 WeakPolarHBondContact O-CG2 3.38Å; L340-V344 PolarHBondContact O-N 3.26Å; L340-L350 HydrophobicContact CD1-CD1 3.45Å; L340-L350 VanDerWaalsContact CD1-CD1 3.45Å; L340-L350 HydrophobicContact CD1-CD2 4.33Å; L340-L352 HydrophobicContact CD1-CD2 3.95Å; L340-L352 HydrophobicContact CD2-CD2 4.22Å; L340-W357 HydrophobicContact CB-CE3 4.2Å; L340-W357 HydrophobicContact CB-CH2 3.74Å; L340-W357 HydrophobicContact CB-CZ2 4.34Å; L340-W357 HydrophobicContact CB-CZ3 3.66Å; L340-W357 HydrophobicContact CD1-CD2 4.41Å; L340-W357 HydrophobicContact CD1-CH2 4.2Å; L340-W357 HydrophobicContact CD1-CZ2 3.93Å; L340-V362 HydrophobicContact CD2-CG1 4.19Å; L340-A366 HydrophobicContact CD2-CB 3.65Å; L340-A366 HydrophobicContact CG-CB 4.24Å |
| 341 | R | 95.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 69.7 Ų | 69.7 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -52.9 | -43.6 | 174.1 | -171.9 | -162.1 | 175.9 | -61.8 | -16.9 | 112 | F291 I337 Q338 D345 M369 E373 | F291-R341 HydrophobicContact CB-CG 4.22Å; F291-R341 VanDerWaalsContact CB-NH2 3.3Å; F291-R341 HydrophobicContact CD1-CG 3.78Å; F291-R341 HydrophobicContact CD2-CG 3.72Å; F291-R341 HydrophobicContact CE1-CG 3.97Å; F291-R341 HydrophobicContact CE2-CB 4.29Å; F291-R341 HydrophobicContact CE2-CG 3.94Å; F291-R341 HydrophobicContact CG-CG 3.65Å; F291-R341 HydrophobicContact CZ-CB 4.29Å; F291-R341 HydrophobicContact CZ-CG 4.06Å; I337-R341 WeakPolarHBondContact O-CB 3.36Å; I337-R341 PolarHBondContact O-N 3.39Å; Q338-R341 VanDerWaalsContact OE1-CD 3.26Å; R341-D345 IonicContact CZ-OD2 2.64Å; R341-D345 IonicContact NH1-OD2 3.41Å; R341-D345 PolarHBondContact NH1-OD2 2.96Å; R341-D345 IonicContact NH2-OD2 2.75Å; R341-D345 PolarHBondContact NH2-OD2 3.41Å; R341-D345 WeakPolarHBondContact O-CB 3.41Å; R341-D345 PolarHBondContact O-N 3.07Å; R341-M369 HydrophobicContact CG-SD 4.37Å; R341-E373 IonicContact CZ-OE2 2.68Å; R341-E373 VanDerWaalsContact CZ-OE2 3.24Å; R341-E373 IonicContact NE-OE1 3.74Å; R341-E373 PolarHBondContact NE-OE1 3.45Å; R341-E373 IonicContact NE-OE2 2.99Å; R341-E373 PolarHBondContact NE-OE2 3.21Å; R341-E373 IonicContact NH2-OE2 2.61Å; R341-E373 PolarHBondContact NH2-OE2 3.1Å |
| 342 | F | 93 | Very high | 93 | Very high | 124 Ų | 124 | 65.2 Ų | 65.2 | 54% | 0.544 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 178.8 | 179.6 | -94.4 | 0 | 0 | 0 | 112.6 | Q338 K339 L340 V344 D345 Q346 | Q338-F342 PolarHBondContact O-N 2.8Å; K339-F342 PolarHBondContact O-N 2.81Å; L340-F342 VanDerWaalsContact C-N 3.27Å; L340-F342 PolarHBondContact O-N 2.75Å; F342-V344 VanDerWaalsContact C-N 3.3Å; F342-V344 PolarHBondContact O-N 3.15Å; F342-D345 PolarHBondContact O-N 3.26Å; F342-Q346 HydrophobicContact CD1-CG 4.32Å; F342-Q346 HydrophobicContact CE1-CG 3.94Å; F342-Q346 HydrophobicContact CE2-CG 4.4Å; F342-Q346 HydrophobicContact CZ-CG 3.98Å; F342-Q346 VanDerWaalsContact O-CG 3.24Å; F342-Q346 WeakPolarHBondContact O-CG 3.35Å; F342-Q346 PolarHBondContact O-N 3.02Å; F342-Q346 VanDerWaalsContact O-N 3.15Å |
| 343 | I | 92.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 68.5 Ų | 68.5 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 178.9 | -69.1 | 164.9 | 0 | 0 | 0 | 110.7 | K339 L340 Q346 E348 L350 W357 | K339-I343 HydrophobicContact CG-CD1 4.28Å; K339-I343 PolarHBondContact O-N 2.78Å; K339-I343 VanDerWaalsContact O-N 3.12Å; L340-I343 PolarHBondContact O-N 3.29Å; I343-Q346 PolarHBondContact O-N 3.48Å; I343-E348 HydrophobicContact CG2-CB 4.04Å; I343-E348 PolarHBondContact O-N 3.22Å; I343-L350 HydrophobicContact CG2-CD1 4.47Å; I343-W357 HydrophobicContact CD1-CH2 3.83Å; I343-W357 HydrophobicContact CD1-CZ2 3.66Å |
| 344 | V | 94.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 69 Ų | 69 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | V290 F291 F309 L340 F342 Q346 E347 L350 | V290-V344 HydrophobicContact CB-CG1 3.91Å; V290-V344 HydrophobicContact CG1-CG1 3.74Å; V290-V344 HydrophobicContact CG2-CG1 4.2Å; V290-V344 VanDerWaalsContact CG2-O 3.31Å; V290-V344 WeakPolarHBondContact CG2-O 3.23Å; F291-V344 HydrophobicContact CD2-CG1 4.21Å; F291-V344 HydrophobicContact CE2-CB 3.98Å; F291-V344 HydrophobicContact CE2-CG1 3.78Å; F309-V344 HydrophobicContact CB-CG1 4.13Å; F309-V344 HydrophobicContact CD2-CB 4.3Å; F309-V344 HydrophobicContact CD2-CG1 3.72Å; F309-V344 HydrophobicContact CD2-CG2 3.61Å; F309-V344 HydrophobicContact CE2-CG1 4.35Å; F309-V344 HydrophobicContact CE2-CG2 3.71Å; F309-V344 HydrophobicContact CG-CG1 3.93Å; L340-V344 HydrophobicContact CD1-CG2 4.03Å; L340-V344 VanDerWaalsContact O-CG2 3.31Å; L340-V344 WeakPolarHBondContact O-CG2 3.38Å; L340-V344 PolarHBondContact O-N 3.26Å; F342-V344 VanDerWaalsContact C-N 3.3Å; F342-V344 PolarHBondContact O-N 3.15Å; V344-Q346 PolarHBondContact O-N 3.36Å; V344-E347 PolarHBondContact O-N 2.97Å; V344-E347 VanDerWaalsContact O-N 3.07Å; V344-L350 HydrophobicContact CG2-CD1 4.26Å; V344-L350 HydrophobicContact CG2-CD2 3.89Å |
| 345 | D | 92.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -19.8 | 175.4 | -89 | -3.8 | 0 | 0 | 0 | 113.8 | R289 V290 F291 R341 F342 E347 | R289-D345 HydrophobicContact CB-CB 4.34Å; R289-D345 WeakPolarHBondContact CD-OD2 3.16Å; R289-D345 HydrophobicContact CG-CB 4.34Å; V290-D345 PolarHBondContact N-OD1 3.15Å; F291-D345 WeakPolarHBondContact CB-OD1 3.39Å; F291-D345 PolarHBondContact N-OD1 3.25Å; R341-D345 IonicContact CZ-OD2 2.64Å; R341-D345 IonicContact NH1-OD2 3.41Å; R341-D345 PolarHBondContact NH1-OD2 2.96Å; R341-D345 IonicContact NH2-OD2 2.75Å; R341-D345 PolarHBondContact NH2-OD2 3.41Å; R341-D345 WeakPolarHBondContact O-CB 3.41Å; R341-D345 PolarHBondContact O-N 3.07Å; F342-D345 PolarHBondContact O-N 3.26Å; D345-E347 VanDerWaalsContact C-N 3.34Å |
| 346 | Q | 88.1 | Confident | 91.2 | Very high | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.4 | 175.5 | -67 | -76 | 107.1 | 0 | 0 | 112.9 | F342 I343 V344 E348 | F342-Q346 HydrophobicContact CD1-CG 4.32Å; F342-Q346 HydrophobicContact CE1-CG 3.94Å; F342-Q346 HydrophobicContact CE2-CG 4.4Å; F342-Q346 HydrophobicContact CZ-CG 3.98Å; F342-Q346 VanDerWaalsContact O-CG 3.24Å; F342-Q346 WeakPolarHBondContact O-CG 3.35Å; F342-Q346 PolarHBondContact O-N 3.02Å; F342-Q346 VanDerWaalsContact O-N 3.15Å; I343-Q346 PolarHBondContact O-N 3.48Å; V344-Q346 PolarHBondContact O-N 3.36Å; Q346-E348 HydrophobicContact CB-CG 3.97Å; Q346-E348 PolarHBondContact O-N 3.24Å |
| 347 | E | 82.8 | Confident | 90.9 | Very high | 117 Ų | 117 | 68.2 Ų | 68.2 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 31.3 | -174.6 | -57.4 | -171.7 | 147.9 | 0 | 0 | 113.4 | V290 R301 V344 D345 | V290-E347 HydrophobicContact CG2-CG 4.14Å; R301-E347 IonicContact CZ-OE1 2.66Å; R301-E347 IonicContact NE-OE1 3.38Å; R301-E347 PolarHBondContact NE-OE1 2.98Å; R301-E347 IonicContact NH2-OE1 3.49Å; R301-E347 PolarHBondContact NH2-OE1 2.9Å; V344-E347 PolarHBondContact O-N 2.97Å; V344-E347 VanDerWaalsContact O-N 3.07Å; D345-E347 VanDerWaalsContact C-N 3.34Å |
| 348 | E | 82.9 | Confident | 90.6 | Very high | 100 Ų | 100 | 75 Ų | 75 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | trans | -71.5 | 155.8 | 171.5 | -69.4 | 172.1 | -162.2 | 0 | 0 | 111 | I343 Q346 L350 | I343-E348 HydrophobicContact CG2-CB 4.04Å; I343-E348 PolarHBondContact O-N 3.22Å; Q346-E348 HydrophobicContact CB-CG 3.97Å; Q346-E348 PolarHBondContact O-N 3.24Å; E348-L350 PolarHBondContact O-N 3.21Å | ||
| 349 | E | 84.4 | Confident | 90.6 | Very high | 198 Ų | 198 | 74.2 Ų | 74.2 | 93% | 0.925 | 36% | 0.356 | S | S | * | . | trans | -64.9 | 118.5 | 179 | -172.7 | 170.6 | -163.5 | 0 | 0 | 110.7 | ||||
| 350 | L | 89.9 | Confident | 90.7 | Very high | 32 Ų | 32 | 69.7 Ų | 69.7 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | trans | -100.2 | 103.9 | -172.9 | -177.5 | 71 | 0 | 0 | 0 | 112 | F309 I312 L340 I343 V344 E348 L352 | F309-L350 HydrophobicContact CD2-CD2 3.98Å; F309-L350 HydrophobicContact CE2-CD2 4.24Å; I312-L350 HydrophobicContact CG2-CD2 4.01Å; L340-L350 HydrophobicContact CD1-CD1 3.45Å; L340-L350 VanDerWaalsContact CD1-CD1 3.45Å; L340-L350 HydrophobicContact CD1-CD2 4.33Å; I343-L350 HydrophobicContact CG2-CD1 4.47Å; V344-L350 HydrophobicContact CG2-CD1 4.26Å; V344-L350 HydrophobicContact CG2-CD2 3.89Å; E348-L350 PolarHBondContact O-N 3.21Å; L350-L352 HydrophobicContact CD1-CD2 3.9Å; L350-L352 HydrophobicContact CD2-CD1 4.38Å; L350-L352 HydrophobicContact CD2-CD2 4Å; L350-L352 HydrophobicContact CD2-CG 3.98Å; L350-L352 HydrophobicContact CG-CD2 4.01Å; L350-L352 HydrophobicContact CG-CG 4.08Å | ||
| 351 | D | 90.8 | Very high | 90.7 | Very high | 80 Ų | 80 | 71.2 Ų | 71.2 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | trans | -93.1 | 118.9 | 161.8 | 178.5 | 17 | 0 | 0 | 0 | 110.8 | D353 H354 W357 | D351-D353 WeakPolarHBondContact OD1-CA 3.48Å; D351-D353 WeakPolarHBondContact OD1-CB 3.28Å; D351-D353 PolarHBondContact OD1-N 3.08Å; D351-H354 PolarHBondContact OD2-N 3.11Å; D351-W357 PolarHBondContact O-NE1 3.41Å; D351-W357 VanDerWaalsContact O-NE1 3.1Å | ||
| 352 | L | 92.2 | Very high | 90.9 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -94.8 | -3.2 | 174.7 | -71.2 | -170 | 0 | 0 | 0 | 114.3 | I312 A316 R320 L340 L350 W357 I363 | I312-L352 HydrophobicContact CG2-CD1 3.71Å; I312-L352 HydrophobicContact CG2-CG 3.88Å; A316-L352 HydrophobicContact CB-CB 3.89Å; A316-L352 HydrophobicContact CB-CD1 3.86Å; R320-L352 PolarHBondContact NH2-O 3.45Å; L340-L352 HydrophobicContact CD1-CD2 3.95Å; L340-L352 HydrophobicContact CD2-CD2 4.22Å; L350-L352 HydrophobicContact CD1-CD2 3.9Å; L350-L352 HydrophobicContact CD2-CD1 4.38Å; L350-L352 HydrophobicContact CD2-CD2 4Å; L350-L352 HydrophobicContact CD2-CG 3.98Å; L350-L352 HydrophobicContact CG-CD2 4.01Å; L350-L352 HydrophobicContact CG-CG 4.08Å; L352-W357 HydrophobicContact CD2-CB 4.43Å; L352-W357 HydrophobicContact CD2-CG 4.01Å; L352-I363 HydrophobicContact CB-CD1 4.12Å; L352-I363 HydrophobicContact CD1-CD1 4.03Å; L352-I363 HydrophobicContact CD1-CG1 4.21Å; L352-I363 HydrophobicContact CD1-CG2 3.97Å; L352-I363 HydrophobicContact CD2-CD1 4.37Å; L352-I363 HydrophobicContact CD2-CG1 4.31Å; L352-I363 HydrophobicContact CG-CD1 4.42Å |
| 353 | D | 88.3 | Confident | 91.1 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 43% | 0.428 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -83.6 | -22.8 | 170.9 | -69.9 | -51.8 | 0 | 0 | 0 | 112.4 | K319 D351 N355 | K319-D353 WeakPolarHBondContact CE-OD1 3.48Å; K319-D353 IonicContact NZ-OD1 2.8Å; K319-D353 PolarHBondContact NZ-OD1 3.42Å; K319-D353 IonicContact NZ-OD2 3.19Å; K319-D353 PolarHBondContact NZ-OD2 2.85Å; D351-D353 WeakPolarHBondContact OD1-CA 3.48Å; D351-D353 WeakPolarHBondContact OD1-CB 3.28Å; D351-D353 PolarHBondContact OD1-N 3.08Å; D353-N355 PolarHBondContact O-N 3.37Å |
| 354 | H | 88.6 | Confident | 91.4 | Very high | 101 Ų | 101 | 62.7 Ų | 62.7 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -57.2 | 133.8 | 177.5 | -163.8 | -36.4 | 0 | 0 | 0 | 112.5 | D351 Q356 W357 | D351-H354 PolarHBondContact OD2-N 3.11Å; H354-Q356 HydrophobicContact CB-CG 4.18Å; H354-Q356 PolarHBondContact O-N 2.87Å; H354-W357 PolarHBondContact O-N 3.25Å |
| 355 | N | 86.6 | Confident | 91.6 | Very high | 131 Ų | 131 | 62.6 Ų | 62.6 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -47.1 | -23.7 | -176.9 | -57.9 | 20.4 | 0 | 0 | 0 | 116.3 | D353 W357 E358 | D353-N355 PolarHBondContact O-N 3.37Å; N355-W357 PolarHBondContact O-N 2.77Å; N355-W357 VanDerWaalsContact O-N 3.15Å; N355-E358 WeakPolarHBondContact O-CB 3.43Å; N355-E358 PolarHBondContact O-N 3.14Å |
| 356 | Q | 86.9 | Confident | 91.8 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -62.4 | -16.5 | 174.6 | 56.1 | 169.8 | -11.6 | 0 | 0 | 113.8 | H354 | H354-Q356 HydrophobicContact CB-CG 4.18Å; H354-Q356 PolarHBondContact O-N 2.87Å |
| 357 | W | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -116.8 | 19.1 | 179.2 | -44.1 | 122.9 | 0 | 0 | 0 | 113.2 | R320 T336 K339 L340 I343 D351 L352 H354 N355 D359 V362 | R320-W357 PolarHBondContact NH2-O 3.27Å; T336-W357 HydrophobicContact CG2-CE3 3.93Å; T336-W357 HydrophobicContact CG2-CZ3 3.77Å; K339-W357 HydrophobicContact CB-CH2 4.37Å; K339-W357 HydrophobicContact CD-CH2 4.01Å; K339-W357 HydrophobicContact CD-CZ3 4.38Å; K339-W357 HydrophobicContact CG-CH2 4.18Å; L340-W357 HydrophobicContact CB-CE3 4.2Å; L340-W357 HydrophobicContact CB-CH2 3.74Å; L340-W357 HydrophobicContact CB-CZ2 4.34Å; L340-W357 HydrophobicContact CB-CZ3 3.66Å; L340-W357 HydrophobicContact CD1-CD2 4.41Å; L340-W357 HydrophobicContact CD1-CH2 4.2Å; L340-W357 HydrophobicContact CD1-CZ2 3.93Å; I343-W357 HydrophobicContact CD1-CH2 3.83Å; I343-W357 HydrophobicContact CD1-CZ2 3.66Å; D351-W357 PolarHBondContact O-NE1 3.41Å; D351-W357 VanDerWaalsContact O-NE1 3.1Å; L352-W357 HydrophobicContact CD2-CB 4.43Å; L352-W357 HydrophobicContact CD2-CG 4.01Å; H354-W357 PolarHBondContact O-N 3.25Å; N355-W357 PolarHBondContact O-N 2.77Å; N355-W357 VanDerWaalsContact O-N 3.15Å; W357-D359 VanDerWaalsContact C-N 3.26Å; W357-D359 PolarHBondContact O-N 3.37Å; W357-V362 HydrophobicContact CE3-CG1 4.27Å |
| 358 | E | 91.2 | Very high | 93.1 | Very high | 150 Ų | 150 | 52 Ų | 52 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | trans | -49.6 | -44.4 | -176.5 | -175.1 | 176.4 | -172 | 0 | 0 | 112.5 | R320 N355 V360 | R320-E358 PolarHBondContact NH1-O 2.97Å; N355-E358 WeakPolarHBondContact O-CB 3.43Å; N355-E358 PolarHBondContact O-N 3.14Å; E358-V360 PolarHBondContact O-N 3.14Å; E358-V360 VanDerWaalsContact O-N 3.1Å | ||
| 359 | D | 96.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | trans | -64.7 | 107.3 | 172.5 | 176.5 | 18 | 0 | 0 | 0 | 112.3 | W357 H361 V362 | W357-D359 VanDerWaalsContact C-N 3.26Å; W357-D359 PolarHBondContact O-N 3.37Å; D359-H361 PolarHBondContact O-N 2.83Å; D359-H361 WeakPolarHBondContact OD1-CA 3.47Å; D359-H361 WeakPolarHBondContact OD1-CB 3.49Å; D359-H361 IonicContact OD1-CD2 3.24Å; D359-H361 PolarHBondContact OD1-CD2 3.15Å; D359-H361 IonicContact OD1-CG 2.89Å; D359-H361 PolarHBondContact OD1-N 2.86Å; D359-V362 HydrophobicContact CB-CG2 4.03Å; D359-V362 VanDerWaalsContact O-CB 3.29Å; D359-V362 WeakPolarHBondContact O-CB 3.45Å; D359-V362 PolarHBondContact O-N 3.05Å | ||
| 360 | V | 97.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -20.5 | 176.5 | 73.2 | 0 | 0 | 0 | 0 | 113.5 | V317 A324 I327 E358 V362 I363 T364 | V317-V360 HydrophobicContact CG2-CG2 3.99Å; A324-V360 HydrophobicContact CB-CG1 3.78Å; I327-V360 HydrophobicContact CD1-CB 4.43Å; I327-V360 HydrophobicContact CD1-CG1 3.76Å; I327-V360 HydrophobicContact CD1-CG2 3.85Å; E358-V360 PolarHBondContact O-N 3.14Å; E358-V360 VanDerWaalsContact O-N 3.1Å; V360-V362 PolarHBondContact O-N 2.95Å; V360-I363 PolarHBondContact O-N 2.87Å; V360-T364 PolarHBondContact O-N 2.81Å; V360-T364 PolarHBondContact O-OG1 3.05Å; V360-T364 VanDerWaalsContact O-OG1 3.11Å |
| 361 | H | 98.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 15% | 0.148 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.2 | -19.9 | 173.7 | -52.8 | -63.4 | 0 | 0 | 0 | 112.2 | D325 V330 G332 D359 T364 G365 | D325-H361 PolarHBondContact O-CE1 3.38Å; V330-H361 HydrophobicContact CG1-CB 4.37Å; G332-H361 VanDerWaalsContact CA-C 3.48Å; G332-H361 WeakPolarHBondContact CA-O 3.39Å; G332-H361 PolarHBondContact N-O 2.72Å; D359-H361 PolarHBondContact O-N 2.83Å; D359-H361 WeakPolarHBondContact OD1-CA 3.47Å; D359-H361 WeakPolarHBondContact OD1-CB 3.49Å; D359-H361 IonicContact OD1-CD2 3.24Å; D359-H361 PolarHBondContact OD1-CD2 3.15Å; D359-H361 IonicContact OD1-CG 2.89Å; D359-H361 PolarHBondContact OD1-N 2.86Å; H361-T364 WeakPolarHBondContact CA-OG1 3.37Å; H361-G365 WeakPolarHBondContact O-CA 3.38Å; H361-G365 PolarHBondContact O-N 3.08Å |
| 362 | V | 98.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68 | -48.5 | 166.1 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | T336 I337 L340 W357 D359 V360 G365 A366 | T336-V362 HydrophobicContact CG2-CG1 3.92Å; T336-V362 HydrophobicContact CG2-CG2 3.91Å; I337-V362 HydrophobicContact CG1-CB 4.23Å; I337-V362 HydrophobicContact CG1-CG1 3.86Å; I337-V362 HydrophobicContact CG1-CG2 4.45Å; L340-V362 HydrophobicContact CD2-CG1 4.19Å; W357-V362 HydrophobicContact CE3-CG1 4.27Å; D359-V362 HydrophobicContact CB-CG2 4.03Å; D359-V362 VanDerWaalsContact O-CB 3.29Å; D359-V362 WeakPolarHBondContact O-CB 3.45Å; D359-V362 PolarHBondContact O-N 3.05Å; V360-V362 PolarHBondContact O-N 2.95Å; V362-G365 PolarHBondContact O-N 2.97Å; V362-A366 WeakPolarHBondContact O-CB 3.5Å; V362-A366 PolarHBondContact O-N 2.91Å |
| 363 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -51.1 | -178.3 | -63.2 | 174.8 | 0 | 0 | 0 | 110.6 | C313 A316 V317 L352 V360 G365 A366 L367 | C313-I363 HydrophobicContact CB-CG2 3.87Å; A316-I363 HydrophobicContact CB-CD1 4.03Å; V317-I363 HydrophobicContact CG2-CB 4.44Å; V317-I363 HydrophobicContact CG2-CG2 3.81Å; L352-I363 HydrophobicContact CB-CD1 4.12Å; L352-I363 HydrophobicContact CD1-CD1 4.03Å; L352-I363 HydrophobicContact CD1-CG1 4.21Å; L352-I363 HydrophobicContact CD1-CG2 3.97Å; L352-I363 HydrophobicContact CD2-CD1 4.37Å; L352-I363 HydrophobicContact CD2-CG1 4.31Å; L352-I363 HydrophobicContact CG-CD1 4.42Å; V360-I363 PolarHBondContact O-N 2.87Å; I363-G365 VanDerWaalsContact C-N 3.27Å; I363-G365 PolarHBondContact O-N 3.19Å; I363-A366 PolarHBondContact O-N 2.86Å; I363-L367 PolarHBondContact O-N 3.15Å |
| 364 | T | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -32.1 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | V317 I327 Y328 V360 H361 K368 | V317-T364 HydrophobicContact CG1-CG2 4.23Å; V317-T364 HydrophobicContact CG2-CG2 3.63Å; I327-T364 HydrophobicContact CD1-CG2 3.53Å; I327-T364 HydrophobicContact CG1-CG2 4.07Å; Y328-T364 HydrophobicContact CD1-CG2 3.67Å; Y328-T364 HydrophobicContact CD2-CG2 4.19Å; Y328-T364 HydrophobicContact CE1-CG2 3.43Å; Y328-T364 VanDerWaalsContact CE1-CG2 3.43Å; Y328-T364 HydrophobicContact CE2-CG2 3.98Å; Y328-T364 HydrophobicContact CG-CG2 4.04Å; V360-T364 PolarHBondContact O-N 2.81Å; V360-T364 PolarHBondContact O-OG1 3.05Å; V360-T364 VanDerWaalsContact O-OG1 3.11Å; H361-T364 WeakPolarHBondContact CA-OG1 3.37Å; T364-K368 WeakPolarHBondContact O-CB 3.38Å; T364-K368 WeakPolarHBondContact O-CE 3.4Å; T364-K368 VanDerWaalsContact O-CG 3.28Å; T364-K368 WeakPolarHBondContact O-CG 3.43Å; T364-K368 PolarHBondContact O-N 3.37Å |
| 365 | G | 98.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | H361 V362 I363 M369 | H361-G365 WeakPolarHBondContact O-CA 3.38Å; H361-G365 PolarHBondContact O-N 3.08Å; V362-G365 PolarHBondContact O-N 2.97Å; I363-G365 VanDerWaalsContact C-N 3.27Å; I363-G365 PolarHBondContact O-N 3.19Å; G365-M369 WeakPolarHBondContact O-CB 3.41Å; G365-M369 PolarHBondContact O-N 3.24Å |
| 366 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F309 I337 L340 V362 I363 M369 F370 | F309-A366 HydrophobicContact CZ-CB 3.89Å; I337-A366 HydrophobicContact CG2-CB 4.04Å; L340-A366 HydrophobicContact CD2-CB 3.65Å; L340-A366 HydrophobicContact CG-CB 4.24Å; V362-A366 WeakPolarHBondContact O-CB 3.5Å; V362-A366 PolarHBondContact O-N 2.91Å; I363-A366 PolarHBondContact O-N 2.86Å; A366-M369 WeakPolarHBondContact O-CB 3.46Å; A366-M369 PolarHBondContact O-N 3.35Å; A366-M369 VanDerWaalsContact O-N 3.15Å; A366-F370 PolarHBondContact O-N 2.73Å |
| 367 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 174.5 | -177.3 | 59.4 | 0 | 0 | 0 | 112.2 | V310 C313 L314 Y328 I363 M369 F370 F371 | V310-L367 HydrophobicContact CB-CD1 4.27Å; V310-L367 HydrophobicContact CG1-CD1 4.19Å; V310-L367 HydrophobicContact CG2-CD1 3.98Å; C313-L367 HydrophobicContact CB-CB 4.13Å; C313-L367 HydrophobicContact CB-CD1 4.19Å; C313-L367 HydrophobicContact CB-CD2 4.14Å; C313-L367 HydrophobicContact CB-CG 4.38Å; L314-L367 HydrophobicContact CD2-CD2 3.48Å; L314-L367 VanDerWaalsContact CD2-CD2 3.48Å; L314-L367 HydrophobicContact CG-CD2 3.98Å; Y328-L367 HydrophobicContact CE1-CD2 4.15Å; I363-L367 PolarHBondContact O-N 3.15Å; L367-M369 VanDerWaalsContact C-N 3.27Å; L367-M369 PolarHBondContact O-N 2.87Å; L367-F370 PolarHBondContact O-N 3.28Å; L367-F371 HydrophobicContact CD1-CD2 4.23Å; L367-F371 HydrophobicContact CD1-CE2 3.61Å; L367-F371 HydrophobicContact CD1-CZ 4.32Å; L367-F371 HydrophobicContact CG-CD2 4.35Å; L367-F371 HydrophobicContact CG-CE2 3.93Å; L367-F371 VanDerWaalsContact O-CD2 3.26Å; L367-F371 WeakPolarHBondContact O-CD2 3.48Å; L367-F371 PolarHBondContact O-N 3.24Å |
| 368 | K | 98.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -34.3 | 172.2 | -72 | 177.8 | -64 | 178.1 | 0 | 112.2 | Y328 T364 R372 V445 F446 T449 | Y328-K368 HydrophobicContact CD1-CD 4.49Å; Y328-K368 HydrophobicContact CD1-CG 4.42Å; Y328-K368 WeakPolarHBondContact O-CE 3.31Å; Y328-K368 PolarHBondContact O-NZ 3.33Å; T364-K368 WeakPolarHBondContact O-CB 3.38Å; T364-K368 WeakPolarHBondContact O-CE 3.4Å; T364-K368 VanDerWaalsContact O-CG 3.28Å; T364-K368 WeakPolarHBondContact O-CG 3.43Å; T364-K368 PolarHBondContact O-N 3.37Å; K368-R372 WeakPolarHBondContact O-CB 3.48Å; K368-R372 PolarHBondContact O-N 3.42Å; K368-R372 PolarHBondContact O-NH1 2.9Å; K368-V445 HydrophobicContact CD-CG1 3.66Å; K368-F446 HydrophobicContact CG-CZ 4.5Å; K368-T449 HydrophobicContact CB-CG2 4.21Å; K368-T449 HydrophobicContact CG-CG2 4.42Å |
| 369 | M | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 3% | 0.034 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | 176.6 | -178.1 | 177.2 | -71.3 | 0 | 0 | 111.8 | F291 L334 I337 R341 G365 A366 L367 R372 E373 | F291-M369 HydrophobicContact CD1-CG 4.22Å; F291-M369 HydrophobicContact CE1-CB 4.14Å; F291-M369 HydrophobicContact CE1-CG 3.99Å; F291-M369 HydrophobicContact CE1-SD 4.44Å; L334-M369 HydrophobicContact CD1-CE 3.8Å; I337-M369 HydrophobicContact CG2-CE 3.47Å; I337-M369 VanDerWaalsContact CG2-CE 3.47Å; I337-M369 HydrophobicContact CG2-SD 3.76Å; R341-M369 HydrophobicContact CG-SD 4.37Å; G365-M369 WeakPolarHBondContact O-CB 3.41Å; G365-M369 PolarHBondContact O-N 3.24Å; A366-M369 WeakPolarHBondContact O-CB 3.46Å; A366-M369 PolarHBondContact O-N 3.35Å; A366-M369 VanDerWaalsContact O-N 3.15Å; L367-M369 VanDerWaalsContact C-N 3.27Å; L367-M369 PolarHBondContact O-N 2.87Å; M369-R372 PolarHBondContact O-N 3.21Å; M369-E373 HydrophobicContact CG-CG 4.27Å; M369-E373 WeakPolarHBondContact CG-OE1 3.37Å; M369-E373 WeakPolarHBondContact O-CB 3.45Å; M369-E373 WeakPolarHBondContact O-CG 3.42Å; M369-E373 PolarHBondContact O-N 3.33Å |
| 370 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.9 | -53.6 | 176.1 | 172.1 | -94.1 | 0 | 0 | 0 | 111.3 | V290 F291 L298 P307 F309 V310 A366 L367 R372 E373 L374 | V290-F370 HydrophobicContact CG1-CD2 4.46Å; V290-F370 HydrophobicContact CG1-CE2 4.12Å; F291-F370 HydrophobicContact CD1-CB 4.16Å; F291-F370 HydrophobicContact CE1-CB 3.72Å; F291-F370 HydrophobicContact CZ-CB 4.13Å; L298-F370 HydrophobicContact CD2-CE2 3.7Å; L298-F370 HydrophobicContact CD2-CZ 3.78Å; P307-F370 HydrophobicContact CB-CZ 3.98Å; P307-F370 HydrophobicContact CG-CE1 4.18Å; P307-F370 HydrophobicContact CG-CZ 3.76Å; F309-F370 HydrophobicContact CD1-CB 4.04Å; F309-F370 AromaticContact CD1-CD2 3.99Å; F309-F370 HydrophobicContact CD1-CD2 3.99Å; F309-F370 AromaticContact CD1-CG 4Å; F309-F370 HydrophobicContact CD1-CG 4Å; F309-F370 HydrophobicContact CE1-CB 3.74Å; F309-F370 HydrophobicContact CE1-CD2 4.49Å; F309-F370 HydrophobicContact CE1-CG 4.23Å; V310-F370 HydrophobicContact CG2-CD1 3.57Å; V310-F370 HydrophobicContact CG2-CE1 3.4Å; V310-F370 VanDerWaalsContact CG2-CE1 3.4Å; V310-F370 HydrophobicContact CG2-CG 4.45Å; V310-F370 HydrophobicContact CG2-CZ 4.16Å; A366-F370 PolarHBondContact O-N 2.73Å; L367-F370 PolarHBondContact O-N 3.28Å; F370-R372 VanDerWaalsContact C-N 3.33Å; F370-R372 PolarHBondContact O-N 3.41Å; F370-E373 PolarHBondContact O-N 3.11Å; F370-L374 HydrophobicContact CE1-CD2 4.15Å; F370-L374 HydrophobicContact CE2-CD2 4.43Å; F370-L374 HydrophobicContact CZ-CD2 3.95Å; F370-L374 PolarHBondContact O-N 3.49Å |
| 371 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 179.3 | -71.6 | -62.6 | 0 | 0 | 0 | 113.3 | V310 L367 L374 L378 T417 L421 T449 L450 W452 | V310-F371 HydrophobicContact CG1-CZ 4.1Å; V310-F371 HydrophobicContact CG2-CE1 4.49Å; V310-F371 HydrophobicContact CG2-CZ 4.07Å; L367-F371 HydrophobicContact CD1-CD2 4.23Å; L367-F371 HydrophobicContact CD1-CE2 3.61Å; L367-F371 HydrophobicContact CD1-CZ 4.32Å; L367-F371 HydrophobicContact CG-CD2 4.35Å; L367-F371 HydrophobicContact CG-CE2 3.93Å; L367-F371 VanDerWaalsContact O-CD2 3.26Å; L367-F371 WeakPolarHBondContact O-CD2 3.48Å; L367-F371 PolarHBondContact O-N 3.24Å; F371-L374 HydrophobicContact CD1-CD1 4.14Å; F371-L374 PolarHBondContact O-N 3.12Å; F371-L378 HydrophobicContact CD1-CB 4.33Å; F371-L378 HydrophobicContact CD1-CD2 4.27Å; F371-L378 HydrophobicContact CE1-CD1 4.4Å; F371-L378 HydrophobicContact CE1-CD2 3.88Å; F371-T417 HydrophobicContact CE1-CG2 3.76Å; F371-T417 HydrophobicContact CZ-CG2 4.02Å; F371-L421 HydrophobicContact CE2-CD1 4.25Å; F371-L421 HydrophobicContact CE2-CD2 3.93Å; F371-L421 HydrophobicContact CZ-CD2 3.93Å; F371-T449 HydrophobicContact CB-CG2 3.88Å; F371-L450 HydrophobicContact CB-CD2 4.04Å; F371-L450 HydrophobicContact CD1-CD2 4Å; F371-L450 HydrophobicContact CD2-CD2 4.09Å; F371-L450 HydrophobicContact CG-CD2 3.78Å; F371-W452 VanDerWaalsContact O-CH2 3.3Å; F371-W452 WeakPolarHBondContact O-CH2 3.4Å |
| 372 | R | 97.3 | Very high | 97.1 | Very high | 122 Ų | 122 | 27 Ų | 27 | 46% | 0.46 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -74.3 | -25.1 | 179.2 | -172.8 | -179.8 | 64.1 | -100.2 | -4.3 | 113.7 | K368 M369 F370 | K368-R372 WeakPolarHBondContact O-CB 3.48Å; K368-R372 PolarHBondContact O-N 3.42Å; K368-R372 PolarHBondContact O-NH1 2.9Å; M369-R372 PolarHBondContact O-N 3.21Å; F370-R372 VanDerWaalsContact C-N 3.33Å; F370-R372 PolarHBondContact O-N 3.41Å |
| 373 | E | 96.2 | Very high | 96.9 | Very high | 56 Ų | 56 | 27.3 Ų | 27.3 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -87.5 | -5 | 176.2 | -74.2 | -174.6 | -156.8 | 0 | 0 | 113 | G292 R341 M369 F370 | G292-E373 VanDerWaalsContact CA-O 3.31Å; G292-E373 WeakPolarHBondContact CA-O 3.26Å; R341-E373 IonicContact CZ-OE2 2.68Å; R341-E373 VanDerWaalsContact CZ-OE2 3.24Å; R341-E373 IonicContact NE-OE1 3.74Å; R341-E373 PolarHBondContact NE-OE1 3.45Å; R341-E373 IonicContact NE-OE2 2.99Å; R341-E373 PolarHBondContact NE-OE2 3.21Å; R341-E373 IonicContact NH2-OE2 2.61Å; R341-E373 PolarHBondContact NH2-OE2 3.1Å; M369-E373 HydrophobicContact CG-CG 4.27Å; M369-E373 WeakPolarHBondContact CG-OE1 3.37Å; M369-E373 WeakPolarHBondContact O-CB 3.45Å; M369-E373 WeakPolarHBondContact O-CG 3.42Å; M369-E373 PolarHBondContact O-N 3.33Å; F370-E373 PolarHBondContact O-N 3.11Å |
| 374 | L | 96.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -58.9 | 138.5 | 172.9 | -65.4 | 176.2 | 0 | 0 | 0 | 110.7 | C293 L295 F370 F371 E376 W452 | C293-L374 WeakPolarHBondContact O-CD2 3.49Å; L295-L374 HydrophobicContact CB-CD2 4.45Å; F370-L374 HydrophobicContact CE1-CD2 4.15Å; F370-L374 HydrophobicContact CE2-CD2 4.43Å; F370-L374 HydrophobicContact CZ-CD2 3.95Å; F370-L374 PolarHBondContact O-N 3.49Å; F371-L374 HydrophobicContact CD1-CD1 4.14Å; F371-L374 PolarHBondContact O-N 3.12Å; L374-E376 VanDerWaalsContact CB-O 3.23Å; L374-E376 WeakPolarHBondContact CB-O 3.39Å; L374-E376 PolarHBondContact O-N 3.06Å; L374-W452 HydrophobicContact CB-CH2 4.45Å; L374-W452 WeakPolarHBondContact O-CZ2 3.35Å |
| 375 | P | 94.5 | Very high | 96.2 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 38% | 0.377 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -63 | -25.9 | 175.9 | -24.9 | 34.8 | 0 | 0 | 0 | 114.3 | G292 C293 | G292-P375 VanDerWaalsContact O-CG 3.29Å; G292-P375 WeakPolarHBondContact O-CG 3.36Å; C293-P375 WeakPolarHBondContact O-CD 3.33Å |
| 376 | E | 94.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 36.8 Ų | 36.8 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -130.8 | 138 | 171.7 | -175.1 | 177.1 | -157 | 0 | 0 | 108.4 | L374 P380 F381 | L374-E376 VanDerWaalsContact CB-O 3.23Å; L374-E376 WeakPolarHBondContact CB-O 3.39Å; L374-E376 PolarHBondContact O-N 3.06Å; E376-P380 HydrophobicContact CG-CB 4.45Å; E376-P380 WeakPolarHBondContact OE1-CA 3.2Å; E376-P380 WeakPolarHBondContact OE1-CB 3.47Å; E376-F381 HydrophobicContact CB-CE2 4.29Å; E376-F381 HydrophobicContact CG-CD2 3.77Å; E376-F381 HydrophobicContact CG-CE2 3.92Å; E376-F381 HydrophobicContact CG-CG 4.41Å; E376-F381 PolarHBondContact OE1-N 2.78Å |
| 377 | P | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | trans | -58.9 | 157.5 | -179.8 | 9.4 | -16.8 | 0 | 0 | 0 | 113.4 | F379 F381 L450 W452 | P377-F379 WeakPolarHBondContact CB-O 3.49Å; P377-F379 WeakPolarHBondContact CG-O 3.28Å; P377-F379 CarbonylContact O-C 3.47Å; P377-F379 PolarHBondContact O-N 3.14Å; P377-F381 HydrophobicContact CG-CD1 3.7Å; P377-F381 HydrophobicContact CG-CE1 3.47Å; P377-F381 VanDerWaalsContact CG-CE1 3.47Å; P377-F381 HydrophobicContact CG-CG 4.42Å; P377-F381 HydrophobicContact CG-CZ 4.02Å; P377-L450 VanDerWaalsContact CB-O 3.23Å; P377-L450 WeakPolarHBondContact CB-O 2.94Å; P377-W452 VanDerWaalsContact CA-CH2 3.45Å; P377-W452 HydrophobicContact CB-CD2 3.99Å; P377-W452 HydrophobicContact CB-CE3 3.81Å; P377-W452 HydrophobicContact CB-CH2 3.75Å; P377-W452 HydrophobicContact CB-CZ2 3.92Å; P377-W452 HydrophobicContact CB-CZ3 3.68Å; P377-W452 VanDerWaalsContact CD-CZ2 3.47Å; P377-W452 HydrophobicContact CG-CD2 3.96Å; P377-W452 HydrophobicContact CG-CE3 4.3Å; P377-W452 HydrophobicContact CG-CG 4.44Å; P377-W452 HydrophobicContact CG-CH2 4.36Å; P377-W452 HydrophobicContact CG-CZ2 4.01Å; P377-W452 HydrophobicContact CG-CZ3 4.49Å | ||
| 378 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -55.4 | -37 | 175.8 | -177.9 | 62.7 | 0 | 0 | 0 | 111.1 | L295 F371 P380 N414 T417 M418 L421 L450 | L295-L378 HydrophobicContact CD2-CD1 3.72Å; F371-L378 HydrophobicContact CD1-CB 4.33Å; F371-L378 HydrophobicContact CD1-CD2 4.27Å; F371-L378 HydrophobicContact CE1-CD1 4.4Å; F371-L378 HydrophobicContact CE1-CD2 3.88Å; L378-P380 WeakPolarHBondContact O-CD 3.46Å; L378-N414 HydrophobicContact CD1-CB 4.42Å; L378-N414 PolarHBondContact O-ND2 3.49Å; L378-T417 HydrophobicContact CD1-CG2 3.87Å; L378-T417 HydrophobicContact CD2-CG2 4.44Å; L378-M418 HydrophobicContact CD1-CG 4.22Å; L378-M418 HydrophobicContact CD2-CG 3.62Å; L378-M418 HydrophobicContact CG-CE 3.97Å; L378-M418 HydrophobicContact CG-CG 3.73Å; L378-M418 WeakPolarHBondContact O-CE 3.4Å; L378-L421 HydrophobicContact CD2-CD2 4.13Å; L378-L450 HydrophobicContact CB-CD2 4.21Å; L378-L450 HydrophobicContact CD2-CD2 3.88Å; L378-L450 PolarHBondContact N-O 3.39Å |
| 379 | F | 96.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -86.1 | 105 | 162.7 | -69.3 | -99.4 | 0 | 0 | 0 | 109 | P377 F387 M418 F422 L450 M451 I470 I474 | P377-F379 WeakPolarHBondContact CB-O 3.49Å; P377-F379 WeakPolarHBondContact CG-O 3.28Å; P377-F379 CarbonylContact O-C 3.47Å; P377-F379 PolarHBondContact O-N 3.14Å; F379-F387 AromaticContact CD1-CD2 3.84Å; F379-F387 HydrophobicContact CD1-CD2 3.84Å; F379-F387 HydrophobicContact CD1-CE1 4.42Å; F379-F387 AromaticContact CD1-CE2 3.63Å; F379-F387 HydrophobicContact CD1-CE2 3.63Å; F379-F387 HydrophobicContact CD1-CG 4.34Å; F379-F387 AromaticContact CD1-CZ 3.95Å; F379-F387 HydrophobicContact CD1-CZ 3.95Å; F379-F387 HydrophobicContact CE1-CD1 4.45Å; F379-F387 HydrophobicContact CE1-CD2 4.45Å; F379-F387 HydrophobicContact CE1-CE1 4.16Å; F379-F387 HydrophobicContact CE1-CE2 4.17Å; F379-F387 HydrophobicContact CE1-CZ 4.02Å; F379-M418 HydrophobicContact CB-CE 4.14Å; F379-M418 HydrophobicContact CD1-CE 3.51Å; F379-M418 HydrophobicContact CD1-SD 4.4Å; F379-M418 HydrophobicContact CD2-CE 3.56Å; F379-M418 HydrophobicContact CE1-CE 3.64Å; F379-M418 HydrophobicContact CE1-SD 3.95Å; F379-M418 HydrophobicContact CE2-CE 3.7Å; F379-M418 HydrophobicContact CE2-SD 4.21Å; F379-M418 HydrophobicContact CG-CE 3.45Å; F379-M418 VanDerWaalsContact CG-CE 3.45Å; F379-M418 HydrophobicContact CZ-CE 3.73Å; F379-M418 HydrophobicContact CZ-SD 3.83Å; F379-F422 HydrophobicContact CE2-CE2 4.31Å; F379-F422 HydrophobicContact CE2-CZ 4.47Å; F379-F422 HydrophobicContact CZ-CE2 4.05Å; F379-F422 HydrophobicContact CZ-CZ 4.18Å; F379-L450 HydrophobicContact CD2-CB 3.79Å; F379-L450 WeakPolarHBondContact CD2-O 3.38Å; F379-L450 HydrophobicContact CE2-CB 3.9Å; F379-L450 HydrophobicContact CE2-CD1 4.12Å; F379-L450 PolarHBondContact N-O 2.93Å; F379-M451 HydrophobicContact CB-CG 3.49Å; F379-M451 VanDerWaalsContact CB-CG 3.49Å; F379-M451 HydrophobicContact CB-SD 4.33Å; F379-M451 HydrophobicContact CD1-CG 4.48Å; F379-M451 HydrophobicContact CD1-SD 4.32Å; F379-M451 HydrophobicContact CD2-CE 4.32Å; F379-M451 HydrophobicContact CD2-CG 3.78Å; F379-M451 HydrophobicContact CD2-SD 4.3Å; F379-M451 HydrophobicContact CE2-CE 4.36Å; F379-M451 HydrophobicContact CG-CG 3.67Å; F379-M451 HydrophobicContact CG-SD 4.06Å; F379-I470 HydrophobicContact CE1-CG2 4.15Å; F379-I474 HydrophobicContact CE1-CD1 3.52Å; F379-I474 HydrophobicContact CZ-CD1 3.57Å |
| 380 | P | 95.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | trans | -62.7 | 146.2 | -172.4 | -18.8 | 31.3 | 0 | 0 | 0 | 111.8 | E376 L378 R382 F383 L410 | E376-P380 HydrophobicContact CG-CB 4.45Å; E376-P380 WeakPolarHBondContact OE1-CA 3.2Å; E376-P380 WeakPolarHBondContact OE1-CB 3.47Å; L378-P380 WeakPolarHBondContact O-CD 3.46Å; P380-R382 VanDerWaalsContact C-N 3.26Å; P380-R382 HydrophobicContact CB-CG 4.4Å; P380-R382 PolarHBondContact O-N 3.15Å; P380-R382 VanDerWaalsContact O-N 3.11Å; P380-F383 HydrophobicContact CB-CD2 4.01Å; P380-F383 HydrophobicContact CG-CD2 3.98Å; P380-F383 HydrophobicContact CG-CE2 4.42Å; P380-F383 PolarHBondContact O-N 3.19Å; P380-L410 HydrophobicContact CG-CD2 4.09Å | ||
| 381 | F | 93.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 40 Ų | 40 | 18% | 0.18 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.5 | -42 | -169.2 | -64.6 | -59.8 | 0 | 0 | 0 | 112.5 | E376 P377 F383 F384 W452 E454 | E376-F381 HydrophobicContact CB-CE2 4.29Å; E376-F381 HydrophobicContact CG-CD2 3.77Å; E376-F381 HydrophobicContact CG-CE2 3.92Å; E376-F381 HydrophobicContact CG-CG 4.41Å; E376-F381 PolarHBondContact OE1-N 2.78Å; P377-F381 HydrophobicContact CG-CD1 3.7Å; P377-F381 HydrophobicContact CG-CE1 3.47Å; P377-F381 VanDerWaalsContact CG-CE1 3.47Å; P377-F381 HydrophobicContact CG-CG 4.42Å; P377-F381 HydrophobicContact CG-CZ 4.02Å; F381-F383 PolarHBondContact O-N 2.85Å; F381-F383 VanDerWaalsContact O-N 3.08Å; F381-F384 WeakPolarHBondContact O-CB 3.47Å; F381-F384 PolarHBondContact O-N 3.37Å; F381-W452 WeakPolarHBondContact CD1-O 3.09Å; F381-W452 AromaticContact CE1-CD1 3.64Å; F381-W452 HydrophobicContact CE1-CG 4.45Å; F381-W452 AromaticContact CE1-NE1 3.6Å; F381-W452 WeakPolarHBondContact CE1-O 3.49Å; F381-W452 AromaticContact CZ-CD1 3.98Å; F381-W452 AromaticContact CZ-NE1 3.51Å; F381-E454 HydrophobicContact CB-CB 4.15Å; F381-E454 HydrophobicContact CD1-CB 3.69Å; F381-E454 HydrophobicContact CD1-CG 4.42Å; F381-E454 HydrophobicContact CD2-CB 4.08Å; F381-E454 HydrophobicContact CD2-CG 3.92Å; F381-E454 HydrophobicContact CE1-CB 3.98Å; F381-E454 HydrophobicContact CE2-CB 4.36Å; F381-E454 HydrophobicContact CE2-CG 4.1Å; F381-E454 HydrophobicContact CG-CB 3.74Å; F381-E454 HydrophobicContact CG-CG 4.09Å; F381-E454 HydrophobicContact CZ-CB 4.3Å; F381-E454 HydrophobicContact CZ-CG 4.4Å |
| 382 | R | 93.3 | Very high | 95 | Very high | 165 Ų | 165 | 44.6 Ų | 44.6 | 62% | 0.623 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -58.3 | -20.1 | 177.6 | 68.5 | -178.8 | -175.7 | 164.2 | 3.3 | 115.4 | P380 Q386 | P380-R382 VanDerWaalsContact C-N 3.26Å; P380-R382 HydrophobicContact CB-CG 4.4Å; P380-R382 PolarHBondContact O-N 3.15Å; P380-R382 VanDerWaalsContact O-N 3.11Å; R382-Q386 PolarHBondContact O-NE2 2.89Å |
| 383 | F | 94.1 | Very high | 95 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -99.2 | -14.1 | 177.6 | -69.3 | -77.8 | 0 | 0 | 0 | 113.4 | P380 F381 Q385 Q386 F387 L406 Q409 L410 | P380-F383 HydrophobicContact CB-CD2 4.01Å; P380-F383 HydrophobicContact CG-CD2 3.98Å; P380-F383 HydrophobicContact CG-CE2 4.42Å; P380-F383 PolarHBondContact O-N 3.19Å; F381-F383 PolarHBondContact O-N 2.85Å; F381-F383 VanDerWaalsContact O-N 3.08Å; F383-Q385 PolarHBondContact O-N 2.98Å; F383-Q386 WeakPolarHBondContact O-CA 3.39Å; F383-Q386 WeakPolarHBondContact O-CB 3.23Å; F383-Q386 PolarHBondContact O-N 3.03Å; F383-F387 HydrophobicContact CB-CD2 3.88Å; F383-F387 HydrophobicContact CB-CE2 3.74Å; F383-F387 HydrophobicContact CG-CE2 4.5Å; F383-F387 VanDerWaalsContact O-CD2 3.31Å; F383-F387 WeakPolarHBondContact O-CD2 3.44Å; F383-F387 PolarHBondContact O-N 3.2Å; F383-L406 HydrophobicContact CD1-CD2 4.27Å; F383-Q409 HydrophobicContact CE1-CB 3.99Å; F383-Q409 HydrophobicContact CZ-CB 4.11Å; F383-Q409 WeakPolarHBondContact CZ-O 3.46Å; F383-L410 HydrophobicContact CB-CD2 4.48Å; F383-L410 HydrophobicContact CD1-CD2 4.43Å; F383-L410 HydrophobicContact CD2-CD2 3.45Å; F383-L410 VanDerWaalsContact CD2-CD2 3.45Å; F383-L410 HydrophobicContact CE2-CD2 3.59Å; F383-L410 HydrophobicContact CG-CD2 3.9Å; F383-L410 HydrophobicContact CZ-CD2 4.16Å |
| 384 | F | 91.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.6 | -52.3 | -173.7 | 178.2 | -106.7 | 0 | 0 | 0 | 112.3 | F381 Q386 F387 V388 M451 N463 Q467 | F381-F384 WeakPolarHBondContact O-CB 3.47Å; F381-F384 PolarHBondContact O-N 3.37Å; F384-Q386 VanDerWaalsContact C-N 3.26Å; F384-Q386 PolarHBondContact O-N 3.49Å; F384-F387 PolarHBondContact O-N 3.44Å; F384-V388 HydrophobicContact CD1-CG2 4.28Å; F384-V388 HydrophobicContact CD2-CG2 4.48Å; F384-V388 HydrophobicContact CE1-CG2 3.86Å; F384-V388 HydrophobicContact CE2-CG2 4.06Å; F384-V388 HydrophobicContact CZ-CG2 3.73Å; F384-V388 WeakPolarHBondContact O-CG2 3.49Å; F384-V388 PolarHBondContact O-N 3.47Å; F384-M451 HydrophobicContact CD2-CB 4.34Å; F384-M451 HydrophobicContact CD2-CG 4.23Å; F384-M451 HydrophobicContact CD2-SD 4.07Å; F384-M451 HydrophobicContact CE2-CB 4.32Å; F384-M451 HydrophobicContact CE2-SD 4.09Å; F384-N463 HydrophobicContact CZ-CB 4.29Å; F384-Q467 HydrophobicContact CE2-CG 3.72Å; F384-Q467 HydrophobicContact CZ-CG 4.15Å |
| 385 | Q | 91.4 | Very high | 94.9 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.6 | -35.8 | 178.2 | -174.5 | 56.9 | 45.3 | 0 | 0 | 112.4 | F383 V388 D389 | F383-Q385 PolarHBondContact O-N 2.98Å; Q385-V388 WeakPolarHBondContact O-CB 3.49Å; Q385-V388 PolarHBondContact O-N 3.19Å; Q385-D389 VanDerWaalsContact NE2-CG 3.26Å; Q385-D389 PolarHBondContact NE2-OD1 3.3Å; Q385-D389 VanDerWaalsContact NE2-OD1 3.16Å; Q385-D389 PolarHBondContact NE2-OD2 2.98Å; Q385-D389 PolarHBondContact O-N 3.36Å |
| 386 | Q | 95.1 | Very high | 94.8 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.5 | -39.2 | 179.3 | -55 | 179.1 | 59 | 0 | 0 | 111.5 | R382 F383 F384 D389 A390 L406 | R382-Q386 PolarHBondContact O-NE2 2.89Å; F383-Q386 WeakPolarHBondContact O-CA 3.39Å; F383-Q386 WeakPolarHBondContact O-CB 3.23Å; F383-Q386 PolarHBondContact O-N 3.03Å; F384-Q386 VanDerWaalsContact C-N 3.26Å; F384-Q386 PolarHBondContact O-N 3.49Å; Q386-D389 PolarHBondContact O-N 3.17Å; Q386-A390 WeakPolarHBondContact O-CB 3.31Å; Q386-A390 PolarHBondContact O-N 3.42Å; Q386-L406 HydrophobicContact CB-CD1 3.96Å; Q386-L406 HydrophobicContact CB-CD2 3.7Å; Q386-L406 HydrophobicContact CG-CD2 4.49Å; Q386-L406 WeakPolarHBondContact O-CD1 3.14Å |
| 387 | F | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 172.1 | -78 | -72.4 | 0 | 0 | 0 | 112.2 | F379 F383 F384 D389 A390 V391 V403 L406 I407 L410 I470 I474 | F379-F387 AromaticContact CD1-CD2 3.84Å; F379-F387 HydrophobicContact CD1-CD2 3.84Å; F379-F387 HydrophobicContact CD1-CE1 4.42Å; F379-F387 AromaticContact CD1-CE2 3.63Å; F379-F387 HydrophobicContact CD1-CE2 3.63Å; F379-F387 HydrophobicContact CD1-CG 4.34Å; F379-F387 AromaticContact CD1-CZ 3.95Å; F379-F387 HydrophobicContact CD1-CZ 3.95Å; F379-F387 HydrophobicContact CE1-CD1 4.45Å; F379-F387 HydrophobicContact CE1-CD2 4.45Å; F379-F387 HydrophobicContact CE1-CE1 4.16Å; F379-F387 HydrophobicContact CE1-CE2 4.17Å; F379-F387 HydrophobicContact CE1-CZ 4.02Å; F383-F387 HydrophobicContact CB-CD2 3.88Å; F383-F387 HydrophobicContact CB-CE2 3.74Å; F383-F387 HydrophobicContact CG-CE2 4.5Å; F383-F387 VanDerWaalsContact O-CD2 3.31Å; F383-F387 WeakPolarHBondContact O-CD2 3.44Å; F383-F387 PolarHBondContact O-N 3.2Å; F384-F387 PolarHBondContact O-N 3.44Å; F387-D389 VanDerWaalsContact C-N 3.32Å; F387-D389 PolarHBondContact O-N 3.41Å; F387-A390 PolarHBondContact O-N 2.9Å; F387-V391 PolarHBondContact O-N 2.65Å; F387-V403 HydrophobicContact CD1-CG1 4.43Å; F387-V403 HydrophobicContact CE1-CG1 4.19Å; F387-L406 HydrophobicContact CD1-CB 4.31Å; F387-L406 HydrophobicContact CD1-CD1 3.88Å; F387-L406 HydrophobicContact CE1-CB 3.7Å; F387-L406 HydrophobicContact CE1-CD1 4.13Å; F387-L406 HydrophobicContact CE2-CB 4.25Å; F387-L406 HydrophobicContact CG-CD1 4.1Å; F387-L406 HydrophobicContact CZ-CB 3.66Å; F387-I407 HydrophobicContact CE1-CD1 4.37Å; F387-I407 HydrophobicContact CE1-CG1 3.9Å; F387-I407 HydrophobicContact CZ-CG1 3.87Å; F387-L410 HydrophobicContact CE2-CD2 4.44Å; F387-I470 HydrophobicContact CB-CD1 3.8Å; F387-I470 HydrophobicContact CB-CG1 4.25Å; F387-I470 HydrophobicContact CB-CG2 4.3Å; F387-I470 HydrophobicContact CD1-CG2 4.42Å; F387-I474 HydrophobicContact CE1-CD1 4.44Å |
| 388 | V | 93.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 173.7 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | F384 Q385 K392 Y466 I470 | F384-V388 HydrophobicContact CD1-CG2 4.28Å; F384-V388 HydrophobicContact CD2-CG2 4.48Å; F384-V388 HydrophobicContact CE1-CG2 3.86Å; F384-V388 HydrophobicContact CE2-CG2 4.06Å; F384-V388 HydrophobicContact CZ-CG2 3.73Å; F384-V388 WeakPolarHBondContact O-CG2 3.49Å; F384-V388 PolarHBondContact O-N 3.47Å; Q385-V388 WeakPolarHBondContact O-CB 3.49Å; Q385-V388 PolarHBondContact O-N 3.19Å; V388-K392 VanDerWaalsContact O-CG 3.3Å; V388-K392 WeakPolarHBondContact O-CG 3.29Å; V388-K392 PolarHBondContact O-N 2.91Å; V388-Y466 HydrophobicContact CG1-CD1 4.44Å; V388-Y466 HydrophobicContact CG1-CD2 3.7Å; V388-Y466 HydrophobicContact CG1-CE2 3.95Å; V388-Y466 HydrophobicContact CG1-CG 3.97Å; V388-Y466 HydrophobicContact CG2-CD2 4.43Å; V388-Y466 HydrophobicContact CG2-CG 4.33Å; V388-I470 HydrophobicContact CG2-CD1 4Å |
| 389 | D | 94.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 64 Ų | 64 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -77.2 | -33 | 179.1 | -66.5 | -33.9 | 0 | 0 | 0 | 112.7 | Q385 Q386 F387 K392 | Q385-D389 VanDerWaalsContact NE2-CG 3.26Å; Q385-D389 PolarHBondContact NE2-OD1 3.3Å; Q385-D389 VanDerWaalsContact NE2-OD1 3.16Å; Q385-D389 PolarHBondContact NE2-OD2 2.98Å; Q385-D389 PolarHBondContact O-N 3.36Å; Q386-D389 PolarHBondContact O-N 3.17Å; F387-D389 VanDerWaalsContact C-N 3.32Å; F387-D389 PolarHBondContact O-N 3.41Å; D389-K392 PolarHBondContact O-N 3.1Å; D389-K392 IonicContact OD1-NZ 2.6Å; D389-K392 PolarHBondContact OD1-NZ 3.49Å |
| 390 | A | 96.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q386 F387 K392 I393 A402 V403 L406 | Q386-A390 WeakPolarHBondContact O-CB 3.31Å; Q386-A390 PolarHBondContact O-N 3.42Å; F387-A390 PolarHBondContact O-N 2.9Å; A390-K392 PolarHBondContact O-N 3.19Å; A390-I393 VanDerWaalsContact O-CB 3.31Å; A390-I393 WeakPolarHBondContact O-CB 3.46Å; A390-I393 VanDerWaalsContact O-CG1 3.27Å; A390-I393 WeakPolarHBondContact O-CG1 3.39Å; A390-I393 PolarHBondContact O-N 3.01Å; A390-I393 VanDerWaalsContact O-N 3.11Å; A390-A402 HydrophobicContact CB-CB 4.04Å; A390-V403 HydrophobicContact CB-CG2 3.81Å; A390-L406 HydrophobicContact CB-CD1 3.95Å |
| 391 | V | 94.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -19.7 | -177.1 | 87.4 | 0 | 0 | 0 | 0 | 113.3 | F387 I393 K399 Y466 Q469 I470 F473 | F387-V391 PolarHBondContact O-N 2.65Å; V391-I393 VanDerWaalsContact C-N 3.32Å; V391-K399 HydrophobicContact CG2-CD 4.33Å; V391-K399 WeakPolarHBondContact O-CE 3.43Å; V391-K399 PolarHBondContact O-NZ 3.28Å; V391-Y466 HydrophobicContact CG1-CD1 3.99Å; V391-Q469 HydrophobicContact CG2-CB 4.38Å; V391-I470 HydrophobicContact CB-CG1 4.11Å; V391-I470 HydrophobicContact CG1-CG1 4.02Å; V391-I470 HydrophobicContact CG2-CG1 4.46Å; V391-F473 HydrophobicContact CG2-CB 4.21Å |
| 392 | K | 94.7 | Very high | 94.9 | Very high | 97 Ų | 97 | 69.5 Ų | 69.5 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.3 | 172.9 | -70.7 | 168.3 | -164.1 | 165 | 0 | 114.2 | V388 D389 A390 K394 Y466 | V388-K392 VanDerWaalsContact O-CG 3.3Å; V388-K392 WeakPolarHBondContact O-CG 3.29Å; V388-K392 PolarHBondContact O-N 2.91Å; D389-K392 PolarHBondContact O-N 3.1Å; D389-K392 IonicContact OD1-NZ 2.6Å; D389-K392 PolarHBondContact OD1-NZ 3.49Å; A390-K392 PolarHBondContact O-N 3.19Å; K392-K394 PolarHBondContact O-N 3.31Å; K392-Y466 WeakPolarHBondContact CE-OH 3.33Å; K392-Y466 HydrophobicContact CG-CE1 4.13Å |
| 393 | I | 96.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 61.8 Ų | 61.8 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | trans | -57.2 | 135.4 | 178.2 | -64.6 | 170.5 | 0 | 0 | 0 | 109.3 | A390 V391 Q398 K399 A402 | A390-I393 VanDerWaalsContact O-CB 3.31Å; A390-I393 WeakPolarHBondContact O-CB 3.46Å; A390-I393 VanDerWaalsContact O-CG1 3.27Å; A390-I393 WeakPolarHBondContact O-CG1 3.39Å; A390-I393 PolarHBondContact O-N 3.01Å; A390-I393 VanDerWaalsContact O-N 3.11Å; V391-I393 VanDerWaalsContact C-N 3.32Å; I393-Q398 HydrophobicContact CG2-CB 3.87Å; I393-K399 HydrophobicContact CB-CB 4.15Å; I393-K399 HydrophobicContact CG2-CB 4.26Å; I393-K399 WeakPolarHBondContact O-CE 3.49Å; I393-K399 PolarHBondContact O-NZ 3.25Å; I393-A402 HydrophobicContact CD1-CB 3.77Å | ||
| 394 | K | 94.3 | Very high | 95.3 | Very high | 208 Ų | 208 | 63.3 Ų | 63.3 | 90% | 0.904 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -79 | -38.4 | -177.7 | -71.3 | -176 | 178.1 | 180 | 0 | 113.1 | K392 | K392-K394 PolarHBondContact O-N 3.31Š|
| 395 | E | 95.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -80.9 | 121.2 | -179.3 | -170.1 | -174.3 | 154.9 | 0 | 0 | 111.2 | K397 Q398 K399 | E395-K397 PolarHBondContact O-N 3Å; E395-Q398 HydrophobicContact CB-CB 4.29Å; E395-Q398 HydrophobicContact CB-CG 4.2Å; E395-Q398 HydrophobicContact CG-CG 4.33Å; E395-Q398 PolarHBondContact O-N 3.19Å; E395-Q398 PolarHBondContact OE2-NE2 2.91Å; E395-K399 WeakPolarHBondContact O-CB 3.39Å; E395-K399 PolarHBondContact O-N 2.82Å |
| 396 | T | 93.7 | Very high | 95.8 | Very high | 76 Ų | 76 | 64.9 Ų | 64.9 | 47% | 0.466 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | -177.1 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | Q398 K399 T400 F473 | T396-Q398 PolarHBondContact O-N 3.15Å; T396-K399 CarbonylContact O-C 3.56Å; T396-K399 WeakPolarHBondContact O-CB 3.48Å; T396-K399 PolarHBondContact O-N 2.82Å; T396-K399 VanDerWaalsContact O-N 3.14Å; T396-T400 PolarHBondContact O-N 3.1Å; T396-T400 PolarHBondContact O-OG1 3.25Å; T396-F473 HydrophobicContact CG2-CE2 4.3Å |
| 397 | K | 94.6 | Very high | 95.9 | Very high | 150 Ų | 150 | 60.9 Ų | 60.9 | 65% | 0.652 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | -179.1 | -68 | -176.3 | 177.1 | -178.8 | 0 | 112.5 | E395 K399 T400 Q401 | E395-K397 PolarHBondContact O-N 3Å; K397-K399 VanDerWaalsContact C-N 3.32Å; K397-K399 PolarHBondContact O-N 3.21Å; K397-T400 PolarHBondContact O-N 3.19Å; K397-Q401 WeakPolarHBondContact O-CG 3.43Å; K397-Q401 PolarHBondContact O-N 3.26Å |
| 398 | Q | 96.3 | Very high | 95.9 | Very high | 105 Ų | 105 | 65.8 Ų | 65.8 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 175.4 | -64.1 | -171.4 | 23.7 | 0 | 0 | 111.6 | I393 E395 T396 Q401 A402 | I393-Q398 HydrophobicContact CG2-CB 3.87Å; E395-Q398 HydrophobicContact CB-CB 4.29Å; E395-Q398 HydrophobicContact CB-CG 4.2Å; E395-Q398 HydrophobicContact CG-CG 4.33Å; E395-Q398 PolarHBondContact O-N 3.19Å; E395-Q398 PolarHBondContact OE2-NE2 2.91Å; T396-Q398 PolarHBondContact O-N 3.15Å; Q398-Q401 PolarHBondContact O-N 2.99Å; Q398-A402 WeakPolarHBondContact O-CB 3.3Å; Q398-A402 PolarHBondContact O-N 2.94Å |
| 399 | K | 96.7 | Very high | 96.1 | Very high | 37 Ų | 37 | 70.2 Ų | 70.2 | 16% | 0.161 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.6 | -173.8 | -177.4 | -57.7 | -165.6 | 0 | 111.9 | V391 I393 E395 T396 K397 Q401 A402 V403 F473 | V391-K399 HydrophobicContact CG2-CD 4.33Å; V391-K399 WeakPolarHBondContact O-CE 3.43Å; V391-K399 PolarHBondContact O-NZ 3.28Å; I393-K399 HydrophobicContact CB-CB 4.15Å; I393-K399 HydrophobicContact CG2-CB 4.26Å; I393-K399 WeakPolarHBondContact O-CE 3.49Å; I393-K399 PolarHBondContact O-NZ 3.25Å; E395-K399 WeakPolarHBondContact O-CB 3.39Å; E395-K399 PolarHBondContact O-N 2.82Å; T396-K399 CarbonylContact O-C 3.56Å; T396-K399 WeakPolarHBondContact O-CB 3.48Å; T396-K399 PolarHBondContact O-N 2.82Å; T396-K399 VanDerWaalsContact O-N 3.14Å; K397-K399 VanDerWaalsContact C-N 3.32Å; K397-K399 PolarHBondContact O-N 3.21Å; K399-Q401 VanDerWaalsContact C-N 3.35Å; K399-Q401 PolarHBondContact O-N 2.86Å; K399-A402 PolarHBondContact O-N 3.32Å; K399-V403 HydrophobicContact CG-CG2 4.45Å; K399-V403 WeakPolarHBondContact O-CB 3.43Å; K399-V403 WeakPolarHBondContact O-CG2 3.07Å; K399-V403 PolarHBondContact O-N 2.83Å; K399-F473 HydrophobicContact CB-CE1 4.48Å; K399-F473 HydrophobicContact CB-CZ 3.99Å; K399-F473 HydrophobicContact CD-CD1 4.08Å; K399-F473 HydrophobicContact CD-CD2 3.7Å; K399-F473 HydrophobicContact CD-CE1 3.89Å; K399-F473 HydrophobicContact CD-CE2 3.49Å; K399-F473 VanDerWaalsContact CD-CE2 3.49Å; K399-F473 HydrophobicContact CD-CG 3.99Å; K399-F473 HydrophobicContact CD-CZ 3.58Å; K399-F473 HydrophobicContact CG-CD1 4.19Å; K399-F473 HydrophobicContact CG-CD2 4.49Å; K399-F473 HydrophobicContact CG-CE1 3.62Å; K399-F473 HydrophobicContact CG-CE2 3.97Å; K399-F473 HydrophobicContact CG-CZ 3.49Å; K399-F473 VanDerWaalsContact CG-CZ 3.49Å |
| 400 | T | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 178.4 | -51 | 0 | 0 | 0 | 0 | 110.6 | T396 K397 V403 K404 F473 E477 E480 I481 | T396-T400 PolarHBondContact O-N 3.1Å; T396-T400 PolarHBondContact O-OG1 3.25Å; K397-T400 PolarHBondContact O-N 3.19Å; T400-V403 PolarHBondContact O-N 3.12Å; T400-K404 WeakPolarHBondContact O-CB 3.43Å; T400-K404 PolarHBondContact O-N 3.31Å; T400-F473 WeakPolarHBondContact OG1-CZ 3.18Å; T400-E477 HydrophobicContact CG2-CB 4.07Å; T400-E477 HydrophobicContact CG2-CG 4.5Å; T400-E480 HydrophobicContact CG2-CB 3.97Å; T400-E480 VanDerWaalsContact CG2-CD 3.5Å; T400-E480 HydrophobicContact CG2-CG 3.83Å; T400-I481 HydrophobicContact CG2-CG1 3.93Å |
| 401 | Q | 96.6 | Very high | 96.2 | Very high | 132 Ų | 132 | 69 Ų | 69 | 62% | 0.617 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 176.7 | -71.3 | -176.3 | -3.5 | 0 | 0 | 113.1 | K397 Q398 K399 K405 | K397-Q401 WeakPolarHBondContact O-CG 3.43Å; K397-Q401 PolarHBondContact O-N 3.26Å; Q398-Q401 PolarHBondContact O-N 2.99Å; K399-Q401 VanDerWaalsContact C-N 3.35Å; K399-Q401 PolarHBondContact O-N 2.86Å; Q401-K405 WeakPolarHBondContact O-CB 3.49Å; Q401-K405 PolarHBondContact O-N 3.49Å |
| 402 | A | 97.5 | Very high | 96.3 | Very high | 29 Ų | 29 | 75 Ų | 75 | 24% | 0.24 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A390 I393 Q398 K399 K405 L406 | A390-A402 HydrophobicContact CB-CB 4.04Å; I393-A402 HydrophobicContact CD1-CB 3.77Å; Q398-A402 WeakPolarHBondContact O-CB 3.3Å; Q398-A402 PolarHBondContact O-N 2.94Å; K399-A402 PolarHBondContact O-N 3.32Å; A402-K405 PolarHBondContact O-N 2.89Å; A402-L406 WeakPolarHBondContact O-CG 3.3Å; A402-L406 PolarHBondContact O-N 3.46Å |
| 403 | V | 97.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | F387 A390 K399 T400 K405 L406 I407 F473 I474 I481 | F387-V403 HydrophobicContact CD1-CG1 4.43Å; F387-V403 HydrophobicContact CE1-CG1 4.19Å; A390-V403 HydrophobicContact CB-CG2 3.81Å; K399-V403 HydrophobicContact CG-CG2 4.45Å; K399-V403 WeakPolarHBondContact O-CB 3.43Å; K399-V403 WeakPolarHBondContact O-CG2 3.07Å; K399-V403 PolarHBondContact O-N 2.83Å; T400-V403 PolarHBondContact O-N 3.12Å; V403-K405 PolarHBondContact O-N 3.41Å; V403-L406 PolarHBondContact O-N 3.23Å; V403-I407 HydrophobicContact CG1-CD1 3.95Å; V403-I407 PolarHBondContact O-N 2.78Å; V403-F473 HydrophobicContact CB-CD1 4.4Å; V403-F473 HydrophobicContact CB-CE1 3.99Å; V403-F473 HydrophobicContact CG1-CD1 4.33Å; V403-F473 HydrophobicContact CG1-CE1 4.27Å; V403-F473 HydrophobicContact CG2-CD1 3.95Å; V403-F473 HydrophobicContact CG2-CE1 3.77Å; V403-I474 HydrophobicContact CG1-CD1 4.13Å; V403-I474 HydrophobicContact CG1-CG1 3.62Å; V403-I481 HydrophobicContact CG1-CD1 3.86Å |
| 404 | K | 96.9 | Very high | 96.6 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 18% | 0.183 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 173.8 | -178 | 168.4 | -169.4 | 166.5 | 0 | 111.7 | T400 L406 I407 H408 E480 I481 D483 | T400-K404 WeakPolarHBondContact O-CB 3.43Å; T400-K404 PolarHBondContact O-N 3.31Å; K404-L406 VanDerWaalsContact C-N 3.35Å; K404-L406 PolarHBondContact O-N 3.48Å; K404-I407 PolarHBondContact O-N 3.01Å; K404-H408 PolarHBondContact O-N 2.66Å; K404-H408 PolarHBondContact O-ND1 3.39Å; K404-E480 WeakPolarHBondContact CD-O 3.38Å; K404-E480 WeakPolarHBondContact CE-O 3.24Å; K404-E480 PolarHBondContact NZ-O 2.73Å; K404-I481 WeakPolarHBondContact CE-O 3.35Å; K404-I481 WeakPolarHBondContact CG-O 3.42Å; K404-D483 WeakPolarHBondContact CE-OD2 3.41Å; K404-D483 IonicContact NZ-OD1 3.87Å; K404-D483 PolarHBondContact NZ-OD1 3.25Å; K404-D483 IonicContact NZ-OD2 3.16Å; K404-D483 PolarHBondContact NZ-OD2 3.04Å |
| 405 | K | 97 | Very high | 96.8 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 61% | 0.609 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 177.4 | -176.6 | -179.8 | 178.5 | -177.6 | 0 | 112 | Q401 A402 V403 H408 Q409 | Q401-K405 WeakPolarHBondContact O-CB 3.49Å; Q401-K405 PolarHBondContact O-N 3.49Å; A402-K405 PolarHBondContact O-N 2.89Å; V403-K405 PolarHBondContact O-N 3.41Å; K405-H408 PolarHBondContact O-N 2.75Å; K405-Q409 WeakPolarHBondContact O-CG 3.24Å; K405-Q409 PolarHBondContact O-N 3.12Å |
| 406 | L | 97.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176 | -68.3 | 171.9 | 0 | 0 | 0 | 111.8 | F383 Q386 F387 A390 A402 V403 K404 H408 Q409 L410 | F383-L406 HydrophobicContact CD1-CD2 4.27Å; Q386-L406 HydrophobicContact CB-CD1 3.96Å; Q386-L406 HydrophobicContact CB-CD2 3.7Å; Q386-L406 HydrophobicContact CG-CD2 4.49Å; Q386-L406 WeakPolarHBondContact O-CD1 3.14Å; F387-L406 HydrophobicContact CD1-CB 4.31Å; F387-L406 HydrophobicContact CD1-CD1 3.88Å; F387-L406 HydrophobicContact CE1-CB 3.7Å; F387-L406 HydrophobicContact CE1-CD1 4.13Å; F387-L406 HydrophobicContact CE2-CB 4.25Å; F387-L406 HydrophobicContact CG-CD1 4.1Å; F387-L406 HydrophobicContact CZ-CB 3.66Å; A390-L406 HydrophobicContact CB-CD1 3.95Å; A402-L406 WeakPolarHBondContact O-CG 3.3Å; A402-L406 PolarHBondContact O-N 3.46Å; V403-L406 PolarHBondContact O-N 3.23Å; K404-L406 VanDerWaalsContact C-N 3.35Å; K404-L406 PolarHBondContact O-N 3.48Å; L406-H408 VanDerWaalsContact C-N 3.31Å; L406-H408 PolarHBondContact O-N 2.83Å; L406-Q409 WeakPolarHBondContact O-CB 3.29Å; L406-Q409 PolarHBondContact O-N 3.49Å; L406-L410 PolarHBondContact O-N 3.04Å |
| 407 | I | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 177.2 | -76.8 | 166.8 | 0 | 0 | 0 | 111.9 | F387 V403 K404 Q409 L410 M418 I474 I481 F482 | F387-I407 HydrophobicContact CE1-CD1 4.37Å; F387-I407 HydrophobicContact CE1-CG1 3.9Å; F387-I407 HydrophobicContact CZ-CG1 3.87Å; V403-I407 HydrophobicContact CG1-CD1 3.95Å; V403-I407 PolarHBondContact O-N 2.78Å; K404-I407 PolarHBondContact O-N 3.01Å; I407-Q409 PolarHBondContact O-N 3.19Å; I407-L410 HydrophobicContact CG1-CD1 4.37Å; I407-L410 WeakPolarHBondContact O-CB 3.5Å; I407-L410 WeakPolarHBondContact O-CG 3.32Å; I407-L410 PolarHBondContact O-N 3.36Å; I407-M418 HydrophobicContact CG1-SD 4.48Å; I407-I474 HydrophobicContact CD1-CD1 4.09Å; I407-I474 HydrophobicContact CD1-CG1 4.24Å; I407-I474 HydrophobicContact CD1-CG2 4.26Å; I407-I481 HydrophobicContact CD1-CG2 3.39Å; I407-F482 HydrophobicContact CD1-CE1 4.4Å; I407-F482 HydrophobicContact CD1-CZ 4.08Å; I407-F482 HydrophobicContact CG2-CD1 4.15Å; I407-F482 HydrophobicContact CG2-CE1 3.62Å; I407-F482 HydrophobicContact CG2-CZ 4.36Å |
| 408 | H | 95.3 | Very high | 97.2 | Very high | 104 Ų | 104 | 46.9 Ų | 46.9 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.3 | -15.1 | 175.2 | -75.1 | 65.5 | 0 | 0 | 0 | 114 | K404 K405 L406 | K404-H408 PolarHBondContact O-N 2.66Å; K404-H408 PolarHBondContact O-ND1 3.39Å; K405-H408 PolarHBondContact O-N 2.75Å; L406-H408 VanDerWaalsContact C-N 3.31Å; L406-H408 PolarHBondContact O-N 2.83Å |
| 409 | Q | 97.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 45 Ų | 45 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.7 | 175.8 | -70.1 | 175.2 | -6.6 | 0 | 0 | 113.3 | F383 K405 L406 I407 | F383-Q409 HydrophobicContact CE1-CB 3.99Å; F383-Q409 HydrophobicContact CZ-CB 4.11Å; F383-Q409 WeakPolarHBondContact CZ-O 3.46Å; K405-Q409 WeakPolarHBondContact O-CG 3.24Å; K405-Q409 PolarHBondContact O-N 3.12Å; L406-Q409 WeakPolarHBondContact O-CB 3.29Å; L406-Q409 PolarHBondContact O-N 3.49Å; I407-Q409 PolarHBondContact O-N 3.19Å |
| 410 | L | 96.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -69.1 | 154.1 | 176.7 | -62 | -179.1 | 0 | 0 | 0 | 111.3 | P380 F383 F387 L406 I407 N414 H415 M418 | P380-L410 HydrophobicContact CG-CD2 4.09Å; F383-L410 HydrophobicContact CB-CD2 4.48Å; F383-L410 HydrophobicContact CD1-CD2 4.43Å; F383-L410 HydrophobicContact CD2-CD2 3.45Å; F383-L410 VanDerWaalsContact CD2-CD2 3.45Å; F383-L410 HydrophobicContact CE2-CD2 3.59Å; F383-L410 HydrophobicContact CG-CD2 3.9Å; F383-L410 HydrophobicContact CZ-CD2 4.16Å; F387-L410 HydrophobicContact CE2-CD2 4.44Å; L406-L410 PolarHBondContact O-N 3.04Å; I407-L410 HydrophobicContact CG1-CD1 4.37Å; I407-L410 WeakPolarHBondContact O-CB 3.5Å; I407-L410 WeakPolarHBondContact O-CG 3.32Å; I407-L410 PolarHBondContact O-N 3.36Å; L410-N414 HydrophobicContact CB-CB 4.19Å; L410-H415 HydrophobicContact CB-CB 4.45Å; L410-M418 HydrophobicContact CD1-CE 3.41Å; L410-M418 VanDerWaalsContact CD1-CE 3.41Å; L410-M418 HydrophobicContact CD1-SD 3.5Å; L410-M418 VanDerWaalsContact CD1-SD 3.5Å |
| 411 | P | 97.6 | Very high | 97.4 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 28% | 0.279 | 22% | 0.219 | S | C | . | . | trans | -55.3 | 143.4 | 167.5 | -19.8 | 31.6 | 0 | 0 | 0 | 110.4 | P413 N414 H415 | P411-P413 VanDerWaalsContact C-CD 3.5Å; P411-P413 VanDerWaalsContact C-N 3.31Å; P411-N414 WeakPolarHBondContact CB-OD1 3.2Å; P411-N414 WeakPolarHBondContact O-CB 3.16Å; P411-N414 PolarHBondContact O-N 2.98Å; P411-H415 PolarHBondContact O-N 2.94Å | ||
| 412 | K | 97.2 | Very high | 97.5 | Very high | 136 Ų | 136 | 39.1 Ų | 39.1 | 59% | 0.591 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -51.9 | -41.3 | -175.3 | -169.3 | 177.6 | -176.1 | -171.6 | 0 | 113.7 | T305 N414 H415 D416 | T305-K412 HydrophobicContact CG2-CD 3.88Å; T305-K412 HydrophobicContact CG2-CG 4.07Å; K412-N414 PolarHBondContact O-N 3.04Å; K412-H415 PolarHBondContact O-N 2.89Å; K412-D416 WeakPolarHBondContact CE-OD2 3.37Å; K412-D416 WeakPolarHBondContact CG-OD2 3.37Å; K412-D416 WeakPolarHBondContact O-CB 3.45Å; K412-D416 PolarHBondContact O-N 3.04Å |
| 413 | P | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 174.6 | -27.7 | 38 | 0 | 0 | 0 | 114.5 | L295 L296 C299 T305 P411 T417 | L295-P413 HydrophobicContact CD2-CB 4.3Å; L295-P413 HydrophobicContact CG-CB 4.08Å; L296-P413 HydrophobicContact CD1-CG 3.83Å; C299-P413 HydrophobicContact CB-CB 4.22Å; C299-P413 HydrophobicContact CB-CG 4.16Å; T305-P413 VanDerWaalsContact O-CA 3.31Å; T305-P413 WeakPolarHBondContact O-CA 3.39Å; P411-P413 VanDerWaalsContact C-CD 3.5Å; P411-P413 VanDerWaalsContact C-N 3.31Å; P413-T417 WeakPolarHBondContact O-CB 3.34Å; P413-T417 PolarHBondContact O-N 2.64Å; P413-T417 PolarHBondContact O-OG1 2.89Å |
| 414 | N | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 176.5 | -61.1 | 73.1 | 0 | 0 | 0 | 110.9 | L295 L378 L410 P411 K412 M418 | L295-N414 HydrophobicContact CD2-CB 4.4Å; L378-N414 HydrophobicContact CD1-CB 4.42Å; L378-N414 PolarHBondContact O-ND2 3.49Å; L410-N414 HydrophobicContact CB-CB 4.19Å; P411-N414 WeakPolarHBondContact CB-OD1 3.2Å; P411-N414 WeakPolarHBondContact O-CB 3.16Å; P411-N414 PolarHBondContact O-N 2.98Å; K412-N414 PolarHBondContact O-N 3.04Å; N414-M418 WeakPolarHBondContact O-CB 3.45Å; N414-M418 VanDerWaalsContact O-CG 3.27Å; N414-M418 WeakPolarHBondContact O-CG 3.29Å; N414-M418 PolarHBondContact O-N 3.48Å |
| 415 | H | 97.8 | Very high | 97.5 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.5 | -53.8 | 177.9 | 170.1 | -87.3 | 0 | 0 | 0 | 112.1 | L410 P411 K412 T417 M418 K419 | L410-H415 HydrophobicContact CB-CB 4.45Å; P411-H415 PolarHBondContact O-N 2.94Å; K412-H415 PolarHBondContact O-N 2.89Å; H415-T417 PolarHBondContact O-N 3.38Å; H415-M418 PolarHBondContact O-N 2.96Å; H415-K419 WeakPolarHBondContact O-CB 3.2Å; H415-K419 PolarHBondContact O-N 3.04Å |
| 416 | D | 97.9 | Very high | 97.5 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 16% | 0.16 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -38 | -174.7 | -68.5 | -4.7 | 0 | 0 | 0 | 110.9 | T305 I306 K412 K419 L420 | T305-D416 WeakPolarHBondContact CB-OD2 3.24Å; T305-D416 PolarHBondContact OG1-OD2 2.84Å; I306-D416 HydrophobicContact CD1-CB 4.05Å; I306-D416 WeakPolarHBondContact CD1-O 3.47Å; I306-D416 HydrophobicContact CG1-CB 3.73Å; K412-D416 WeakPolarHBondContact CE-OD2 3.37Å; K412-D416 WeakPolarHBondContact CG-OD2 3.37Å; K412-D416 WeakPolarHBondContact O-CB 3.45Å; K412-D416 PolarHBondContact O-N 3.04Å; D416-K419 PolarHBondContact O-N 3.35Å; D416-L420 PolarHBondContact O-N 2.84Å |
| 417 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | V310 F371 L378 P413 H415 L421 | V310-T417 HydrophobicContact CG1-CG2 4.36Å; F371-T417 HydrophobicContact CE1-CG2 3.76Å; F371-T417 HydrophobicContact CZ-CG2 4.02Å; L378-T417 HydrophobicContact CD1-CG2 3.87Å; L378-T417 HydrophobicContact CD2-CG2 4.44Å; P413-T417 WeakPolarHBondContact O-CB 3.34Å; P413-T417 PolarHBondContact O-N 2.64Å; P413-T417 PolarHBondContact O-OG1 2.89Å; H415-T417 PolarHBondContact O-N 3.38Å; T417-L421 WeakPolarHBondContact O-CB 3.44Å; T417-L421 PolarHBondContact O-N 2.91Å |
| 418 | M | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 171.7 | -79.3 | -171.3 | -165.8 | 0 | 0 | 111.3 | L378 F379 I407 L410 N414 H415 L420 L421 F422 F482 | L378-M418 HydrophobicContact CD1-CG 4.22Å; L378-M418 HydrophobicContact CD2-CG 3.62Å; L378-M418 HydrophobicContact CG-CE 3.97Å; L378-M418 HydrophobicContact CG-CG 3.73Å; L378-M418 WeakPolarHBondContact O-CE 3.4Å; F379-M418 HydrophobicContact CB-CE 4.14Å; F379-M418 HydrophobicContact CD1-CE 3.51Å; F379-M418 HydrophobicContact CD1-SD 4.4Å; F379-M418 HydrophobicContact CD2-CE 3.56Å; F379-M418 HydrophobicContact CE1-CE 3.64Å; F379-M418 HydrophobicContact CE1-SD 3.95Å; F379-M418 HydrophobicContact CE2-CE 3.7Å; F379-M418 HydrophobicContact CE2-SD 4.21Å; F379-M418 HydrophobicContact CG-CE 3.45Å; F379-M418 VanDerWaalsContact CG-CE 3.45Å; F379-M418 HydrophobicContact CZ-CE 3.73Å; F379-M418 HydrophobicContact CZ-SD 3.83Å; I407-M418 HydrophobicContact CG1-SD 4.48Å; L410-M418 HydrophobicContact CD1-CE 3.41Å; L410-M418 VanDerWaalsContact CD1-CE 3.41Å; L410-M418 HydrophobicContact CD1-SD 3.5Å; L410-M418 VanDerWaalsContact CD1-SD 3.5Å; N414-M418 WeakPolarHBondContact O-CB 3.45Å; N414-M418 VanDerWaalsContact O-CG 3.27Å; N414-M418 WeakPolarHBondContact O-CG 3.29Å; N414-M418 PolarHBondContact O-N 3.48Å; H415-M418 PolarHBondContact O-N 2.96Å; M418-L420 VanDerWaalsContact C-N 3.31Å; M418-L420 PolarHBondContact O-N 3.32Å; M418-L421 PolarHBondContact O-N 3.24Å; M418-F422 HydrophobicContact CB-CD2 4.3Å; M418-F422 WeakPolarHBondContact O-CD2 3.45Å; M418-F422 PolarHBondContact O-N 2.95Å; M418-F482 HydrophobicContact CB-CE1 4.06Å; M418-F482 HydrophobicContact CB-CZ 4Å |
| 419 | K | 97.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 32 Ų | 32 | 29% | 0.287 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57 | -45 | -179 | 179.3 | 162.5 | 177.5 | 160 | 0 | 111.3 | H415 D416 S423 F482 L484 | H415-K419 WeakPolarHBondContact O-CB 3.2Å; H415-K419 PolarHBondContact O-N 3.04Å; D416-K419 PolarHBondContact O-N 3.35Å; K419-S423 VanDerWaalsContact O-CB 3.24Å; K419-S423 WeakPolarHBondContact O-CB 3.45Å; K419-S423 PolarHBondContact O-N 2.92Å; K419-S423 VanDerWaalsContact O-N 3.08Å; K419-S423 PolarHBondContact O-OG 3.4Å; K419-F482 HydrophobicContact CB-CD1 3.66Å; K419-F482 HydrophobicContact CB-CE1 4.01Å; K419-F482 HydrophobicContact CB-CG 4.27Å; K419-F482 HydrophobicContact CD-CB 4.12Å; K419-F482 HydrophobicContact CD-CD1 4.32Å; K419-F482 WeakPolarHBondContact CE-O 3.27Å; K419-F482 HydrophobicContact CG-CB 4.05Å; K419-F482 HydrophobicContact CG-CD1 4Å; K419-F482 HydrophobicContact CG-CG 4.18Å; K419-F482 PolarHBondContact NZ-O 3.31Å; K419-L484 HydrophobicContact CG-CD2 4.37Å |
| 420 | L | 98 | Very high | 97.5 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 24% | 0.236 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -47.2 | 176.7 | -172.3 | 67.8 | 0 | 0 | 0 | 112 | I306 R311 L314 D416 M418 S423 H424 | I306-L420 HydrophobicContact CD1-CB 3.95Å; I306-L420 HydrophobicContact CD1-CD2 4.01Å; I306-L420 HydrophobicContact CG2-CD2 3.83Å; R311-L420 HydrophobicContact CB-CD2 4.49Å; L314-L420 HydrophobicContact CD1-CD2 3.79Å; L314-L420 HydrophobicContact CD1-CG 3.74Å; D416-L420 PolarHBondContact O-N 2.84Å; M418-L420 VanDerWaalsContact C-N 3.31Å; M418-L420 PolarHBondContact O-N 3.32Å; L420-S423 PolarHBondContact O-N 3.15Å; L420-H424 PolarHBondContact O-N 3.15Å |
| 421 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -49.3 | -179.4 | 179.5 | 62.9 | 0 | 0 | 0 | 112.4 | L314 F371 L378 T417 M418 S423 H424 L425 F446 L450 | L314-L421 HydrophobicContact CD2-CD1 4Å; F371-L421 HydrophobicContact CE2-CD1 4.25Å; F371-L421 HydrophobicContact CE2-CD2 3.93Å; F371-L421 HydrophobicContact CZ-CD2 3.93Å; L378-L421 HydrophobicContact CD2-CD2 4.13Å; T417-L421 WeakPolarHBondContact O-CB 3.44Å; T417-L421 PolarHBondContact O-N 2.91Å; M418-L421 PolarHBondContact O-N 3.24Å; L421-S423 VanDerWaalsContact C-N 3.34Å; L421-S423 PolarHBondContact O-N 3.31Å; L421-H424 WeakPolarHBondContact O-CB 3.39Å; L421-H424 PolarHBondContact O-N 2.94Å; L421-L425 HydrophobicContact CD1-CD1 4.2Å; L421-L425 HydrophobicContact CD1-CG 4.31Å; L421-L425 HydrophobicContact CG-CD1 4.06Å; L421-L425 VanDerWaalsContact O-CG 3.31Å; L421-L425 WeakPolarHBondContact O-CG 3.25Å; L421-L425 PolarHBondContact O-N 2.83Å; L421-F446 HydrophobicContact CD1-CE1 4.03Å; L421-F446 HydrophobicContact CD1-CZ 4.34Å; L421-F446 HydrophobicContact CD2-CD1 4.31Å; L421-F446 HydrophobicContact CD2-CE1 4.2Å; L421-L450 HydrophobicContact CD2-CD1 3.75Å; L421-L450 HydrophobicContact CD2-CD2 3.79Å; L421-L450 HydrophobicContact CD2-CG 4.41Å |
| 422 | F | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -32.1 | 179.4 | -79.7 | -80.3 | 0 | 0 | 0 | 112.4 | F379 M418 L425 Q426 L450 V471 I474 L475 F482 | F379-F422 HydrophobicContact CE2-CE2 4.31Å; F379-F422 HydrophobicContact CE2-CZ 4.47Å; F379-F422 HydrophobicContact CZ-CE2 4.05Å; F379-F422 HydrophobicContact CZ-CZ 4.18Å; M418-F422 HydrophobicContact CB-CD2 4.3Å; M418-F422 WeakPolarHBondContact O-CD2 3.45Å; M418-F422 PolarHBondContact O-N 2.95Å; F422-L425 PolarHBondContact O-N 3.15Å; F422-Q426 PolarHBondContact O-N 3.48Å; F422-L450 HydrophobicContact CE2-CD1 4.46Å; F422-L450 HydrophobicContact CZ-CD1 4.38Å; F422-V471 HydrophobicContact CE1-CG1 4.02Å; F422-V471 HydrophobicContact CZ-CG1 4.28Å; F422-I474 HydrophobicContact CD1-CB 4.38Å; F422-I474 HydrophobicContact CD1-CG2 3.73Å; F422-I474 HydrophobicContact CD2-CG2 3.88Å; F422-I474 HydrophobicContact CE1-CB 3.88Å; F422-I474 HydrophobicContact CE1-CG2 3.6Å; F422-I474 HydrophobicContact CE2-CG2 3.77Å; F422-I474 HydrophobicContact CG-CG2 3.87Å; F422-I474 HydrophobicContact CZ-CB 3.99Å; F422-I474 HydrophobicContact CZ-CG2 3.63Å; F422-L475 HydrophobicContact CD1-CB 4.11Å; F422-L475 HydrophobicContact CD1-CD1 4.07Å; F422-L475 HydrophobicContact CE1-CB 4.19Å; F422-F482 HydrophobicContact CB-CD2 4.36Å; F422-F482 HydrophobicContact CB-CE2 3.69Å; F422-F482 HydrophobicContact CB-CZ 4.34Å; F422-F482 HydrophobicContact CD2-CE2 4.02Å; F422-F482 AromaticContact CD2-CZ 3.96Å; F422-F482 HydrophobicContact CD2-CZ 3.96Å; F422-F482 AromaticContact CG-CE2 3.98Å; F422-F482 HydrophobicContact CG-CE2 3.98Å; F422-F482 HydrophobicContact CG-CZ 4.39Å |
| 423 | S | 96.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 171.3 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | K419 L420 L421 K427 L484 | K419-S423 VanDerWaalsContact O-CB 3.24Å; K419-S423 WeakPolarHBondContact O-CB 3.45Å; K419-S423 PolarHBondContact O-N 2.92Å; K419-S423 VanDerWaalsContact O-N 3.08Å; K419-S423 PolarHBondContact O-OG 3.4Å; L420-S423 PolarHBondContact O-N 3.15Å; L421-S423 VanDerWaalsContact C-N 3.34Å; L421-S423 PolarHBondContact O-N 3.31Å; S423-K427 PolarHBondContact O-N 2.92Å; S423-L484 WeakPolarHBondContact OG-CD1 3.18Å; S423-L484 WeakPolarHBondContact OG-CD2 3.4Å |
| 424 | H | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -48 | 173.5 | 173 | 84.4 | 0 | 0 | 0 | 111.9 | L314 E318 Y328 L420 L421 Q426 K427 V428 | L314-H424 HydrophobicContact CD1-CB 4.49Å; L314-H424 HydrophobicContact CD2-CB 3.81Å; L314-H424 VanDerWaalsContact CD2-CD2 3.46Å; L314-H424 WeakPolarHBondContact CD2-CD2 3.46Å; L314-H424 VanDerWaalsContact CD2-CG 3.46Å; L314-H424 PolarHBondContact O-CE1 3.48Å; E318-H424 WeakPolarHBondContact CG-ND1 3.43Å; E318-H424 IonicContact OE1-CG 2.94Å; E318-H424 IonicContact OE1-ND1 2.67Å; E318-H424 PolarHBondContact OE1-ND1 2.79Å; Y328-H424 AromaticContact CE2-CD2 3.99Å; Y328-H424 AromaticContact CE2-NE2 3.43Å; Y328-H424 WeakPolarHBondContact CE2-NE2 3.49Å; Y328-H424 AromaticContact CZ-CD2 3.99Å; Y328-H424 AromaticContact CZ-NE2 3.52Å; Y328-H424 PolarHBondContact OH-CD2 3.14Å; Y328-H424 VanDerWaalsContact OH-CD2 3.29Å; Y328-H424 PolarHBondContact OH-NE2 2.82Å; L420-H424 PolarHBondContact O-N 3.15Å; L421-H424 WeakPolarHBondContact O-CB 3.39Å; L421-H424 PolarHBondContact O-N 2.94Å; H424-Q426 PolarHBondContact O-N 3.1Å; H424-K427 WeakPolarHBondContact O-CA 3.43Å; H424-K427 WeakPolarHBondContact O-CB 3.33Å; H424-K427 PolarHBondContact O-N 2.95Å; H424-V428 PolarHBondContact O-N 3.27Å |
| 425 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -28.9 | -179.7 | -66.7 | 173.4 | 0 | 0 | 0 | 112.2 | Y328 L421 F422 V428 L429 I442 F446 L475 | Y328-L425 HydrophobicContact CD2-CD2 4.23Å; Y328-L425 HydrophobicContact CE2-CD2 4.12Å; L421-L425 HydrophobicContact CD1-CD1 4.2Å; L421-L425 HydrophobicContact CD1-CG 4.31Å; L421-L425 HydrophobicContact CG-CD1 4.06Å; L421-L425 VanDerWaalsContact O-CG 3.31Å; L421-L425 WeakPolarHBondContact O-CG 3.25Å; L421-L425 PolarHBondContact O-N 2.83Å; F422-L425 PolarHBondContact O-N 3.15Å; L425-V428 WeakPolarHBondContact O-CB 3.18Å; L425-V428 PolarHBondContact O-N 3.01Å; L425-L429 WeakPolarHBondContact O-CG 3.47Å; L425-L429 PolarHBondContact O-N 2.88Å; L425-I442 HydrophobicContact CD1-CG2 3.97Å; L425-I442 HydrophobicContact CD2-CD1 4.3Å; L425-I442 HydrophobicContact CD2-CG2 4.07Å; L425-I442 HydrophobicContact CG-CG2 4.41Å; L425-F446 HydrophobicContact CD1-CD2 4.13Å; L425-F446 HydrophobicContact CD1-CE2 4.17Å; L425-F446 HydrophobicContact CD1-CG 4.3Å; L425-F446 HydrophobicContact CD1-CZ 4.4Å; L425-F446 HydrophobicContact CD2-CD2 4.23Å; L425-F446 HydrophobicContact CD2-CE2 3.61Å; L425-F446 HydrophobicContact CD2-CZ 3.99Å; L425-L475 HydrophobicContact CB-CD1 3.64Å |
| 426 | Q | 96.3 | Very high | 97.5 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 168.1 | -85.9 | -67.2 | -51.7 | 0 | 0 | 113.1 | F422 H424 L429 A430 L475 S478 | F422-Q426 PolarHBondContact O-N 3.48Å; H424-Q426 PolarHBondContact O-N 3.1Å; Q426-L429 PolarHBondContact O-N 2.84Å; Q426-A430 PolarHBondContact O-N 3.01Å; Q426-L475 HydrophobicContact CG-CD1 4.15Å; Q426-L475 PolarHBondContact NE2-O 3.3Å; Q426-S478 WeakPolarHBondContact CG-OG 3.31Å |
| 427 | K | 96.5 | Very high | 97.5 | Very high | 90 Ų | 90 | 46.2 Ų | 46.2 | 39% | 0.391 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -40 | 174.7 | -61.3 | 167.5 | -173.2 | 168.8 | 0 | 111.2 | E318 L322 S423 H424 L429 A430 F431 | E318-K427 VanDerWaalsContact CD-CD 3.42Å; E318-K427 HydrophobicContact CG-CD 4.18Å; E318-K427 VanDerWaalsContact OE1-CD 3.28Å; E318-K427 WeakPolarHBondContact OE1-CD 3.12Å; E318-K427 IonicContact OE1-NZ 2.72Å; E318-K427 PolarHBondContact OE1-NZ 3.37Å; E318-K427 WeakPolarHBondContact OE2-CD 3.39Å; E318-K427 IonicContact OE2-NZ 2.8Å; E318-K427 PolarHBondContact OE2-NZ 2.98Å; L322-K427 HydrophobicContact CD2-CB 4.49Å; S423-K427 PolarHBondContact O-N 2.92Å; H424-K427 WeakPolarHBondContact O-CA 3.43Å; H424-K427 WeakPolarHBondContact O-CB 3.33Å; H424-K427 PolarHBondContact O-N 2.95Å; K427-L429 VanDerWaalsContact C-N 3.35Å; K427-L429 PolarHBondContact O-N 2.87Å; K427-A430 WeakPolarHBondContact O-CB 3.2Å; K427-A430 PolarHBondContact O-N 3.3Å; K427-F431 WeakPolarHBondContact O-CD2 3.39Å; K427-F431 PolarHBondContact O-N 3.43Å |
| 428 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -46 | 173.2 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L322 I327 Y328 H424 L425 A430 F431 S432 N435 I442 | L322-V428 HydrophobicContact CD2-CG2 3.91Å; I327-V428 HydrophobicContact CG2-CG1 3.57Å; Y328-V428 HydrophobicContact CD2-CG2 4.49Å; Y328-V428 HydrophobicContact CE2-CG2 4.01Å; H424-V428 PolarHBondContact O-N 3.27Å; L425-V428 WeakPolarHBondContact O-CB 3.18Å; L425-V428 PolarHBondContact O-N 3.01Å; V428-A430 VanDerWaalsContact C-N 3.32Å; V428-A430 PolarHBondContact O-N 3.46Å; V428-F431 CarbonylContact O-C 3.5Å; V428-F431 PolarHBondContact O-N 3.46Å; V428-F431 VanDerWaalsContact O-N 3.08Å; V428-S432 PolarHBondContact O-N 2.77Å; V428-N435 PolarHBondContact O-ND2 2.75Å; V428-I442 HydrophobicContact CG1-CD1 4.32Å |
| 429 | L | 96.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.4 | -28.6 | 177.3 | -71 | -175.2 | 0 | 0 | 0 | 113.7 | L425 Q426 K427 F431 S432 T439 I442 L475 | L425-L429 WeakPolarHBondContact O-CG 3.47Å; L425-L429 PolarHBondContact O-N 2.88Å; Q426-L429 PolarHBondContact O-N 2.84Å; K427-L429 VanDerWaalsContact C-N 3.35Å; K427-L429 PolarHBondContact O-N 2.87Å; L429-F431 PolarHBondContact O-N 2.91Å; L429-S432 WeakPolarHBondContact O-CB 3.3Å; L429-S432 PolarHBondContact O-N 2.79Å; L429-S432 PolarHBondContact O-OG 3.08Å; L429-T439 HydrophobicContact CD1-CG2 4.4Å; L429-I442 HydrophobicContact CD2-CG1 4.01Å; L429-L475 HydrophobicContact CD1-CD1 4.26Å; L429-L475 HydrophobicContact CD1-CD2 3.56Å; L429-L475 HydrophobicContact CD1-CG 3.72Å; L429-L475 HydrophobicContact CG-CD2 4.34Å |
| 430 | A | 96.6 | Very high | 97.4 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 66% | 0.661 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.1 | -25.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q426 K427 V428 | Q426-A430 PolarHBondContact O-N 3.01Å; K427-A430 WeakPolarHBondContact O-CB 3.2Å; K427-A430 PolarHBondContact O-N 3.3Å; V428-A430 VanDerWaalsContact C-N 3.32Å; V428-A430 PolarHBondContact O-N 3.46Å |
| 431 | F | 97.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 37% | 0.373 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.1 | 175.1 | -76.7 | -110.7 | 0 | 0 | 0 | 113.8 | L322 K427 V428 L429 R433 K434 N435 | L322-F431 HydrophobicContact CB-CB 4.36Å; L322-F431 HydrophobicContact CB-CD1 3.98Å; L322-F431 HydrophobicContact CB-CD2 4.16Å; L322-F431 HydrophobicContact CB-CE1 4.29Å; L322-F431 HydrophobicContact CB-CE2 4.46Å; L322-F431 HydrophobicContact CB-CG 3.92Å; L322-F431 HydrophobicContact CD1-CD2 4.2Å; L322-F431 HydrophobicContact CD1-CE2 3.93Å; L322-F431 HydrophobicContact CD1-CZ 4.26Å; L322-F431 WeakPolarHBondContact O-CB 3.49Å; K427-F431 WeakPolarHBondContact O-CD2 3.39Å; K427-F431 PolarHBondContact O-N 3.43Å; V428-F431 CarbonylContact O-C 3.5Å; V428-F431 PolarHBondContact O-N 3.46Å; V428-F431 VanDerWaalsContact O-N 3.08Å; L429-F431 PolarHBondContact O-N 2.91Å; F431-R433 PolarHBondContact O-N 3.27Å; F431-K434 PolarHBondContact O-N 2.91Å; F431-N435 WeakPolarHBondContact CB-ND2 3.37Å; F431-N435 PolarHBondContact O-N 2.88Å; F431-N435 VanDerWaalsContact O-N 3.08Å; F431-N435 PolarHBondContact O-ND2 2.87Å |
| 432 | S | 96.8 | Very high | 97.3 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -46.8 | -33.5 | -178.9 | 48.8 | 0 | 0 | 0 | 0 | 115.6 | V428 L429 K434 N435 L436 M437 | V428-S432 PolarHBondContact O-N 2.77Å; L429-S432 WeakPolarHBondContact O-CB 3.3Å; L429-S432 PolarHBondContact O-N 2.79Å; L429-S432 PolarHBondContact O-OG 3.08Å; S432-K434 VanDerWaalsContact C-N 3.29Å; S432-K434 PolarHBondContact O-N 3.18Å; S432-N435 WeakPolarHBondContact CA-OD1 3.31Å; S432-L436 WeakPolarHBondContact O-CA 3.3Å; S432-L436 PolarHBondContact O-N 3.16Å; S432-L436 VanDerWaalsContact O-N 3.08Å; S432-M437 WeakPolarHBondContact CB-O 3.46Å |
| 433 | R | 97.2 | Very high | 97.3 | Very high | 239 Ų | 239 | 50.9 Ų | 50.9 | 90% | 0.902 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.2 | -24.6 | 176.8 | -65.2 | -173.9 | -178.6 | -174 | 1 | 114.3 | F431 | F431-R433 PolarHBondContact O-N 3.27Å |
| 434 | K | 97.3 | Very high | 97.3 | Very high | 119 Ų | 119 | 54.5 Ų | 54.5 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -95.8 | -60.2 | 175 | -70.1 | -169.3 | 174.5 | -170.2 | 0 | 110.5 | D323 F431 S432 L436 | D323-K434 HydrophobicContact CB-CB 4.02Å; D323-K434 HydrophobicContact CB-CD 3.6Å; D323-K434 IonicContact OD2-NZ 3.47Å; F431-K434 PolarHBondContact O-N 2.91Å; S432-K434 VanDerWaalsContact C-N 3.29Å; S432-K434 PolarHBondContact O-N 3.18Å; K434-L436 WeakPolarHBondContact O-CG 3.42Å; K434-L436 PolarHBondContact O-N 2.73Å; K434-L436 VanDerWaalsContact O-N 3.15Å |
| 435 | N | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.1 | -1.6 | -172.7 | 65.7 | 37.6 | 0 | 0 | 0 | 115.1 | L322 A324 G326 I327 V428 F431 S432 M437 | L322-N435 WeakPolarHBondContact O-CB 3.18Å; L322-N435 PolarHBondContact O-ND2 3.19Å; A324-N435 VanDerWaalsContact O-CB 3.25Å; A324-N435 WeakPolarHBondContact O-CB 3.39Å; G326-N435 WeakPolarHBondContact CA-O 3.43Å; G326-N435 PolarHBondContact N-O 3.48Å; I327-N435 HydrophobicContact CG2-CB 3.91Å; V428-N435 PolarHBondContact O-ND2 2.75Å; F431-N435 WeakPolarHBondContact CB-ND2 3.37Å; F431-N435 PolarHBondContact O-N 2.88Å; F431-N435 VanDerWaalsContact O-N 3.08Å; F431-N435 PolarHBondContact O-ND2 2.87Å; S432-N435 WeakPolarHBondContact CA-OD1 3.31Å; N435-M437 PolarHBondContact O-N 2.95Å; N435-M437 VanDerWaalsContact O-N 3.14Å; N435-M437 WeakPolarHBondContact OD1-CB 3.42Å; N435-M437 PolarHBondContact OD1-N 2.86Å |
| 436 | L | 97.8 | Very high | 97.4 | Very high | 99 Ų | 99 | 55.7 Ų | 55.7 | 52% | 0.518 | 28% | 0.284 | S | S | . | . | trans | 56.8 | 30.4 | 176.4 | -45.6 | -179 | 0 | 0 | 0 | 114.1 | R329 S432 K434 | R329-L436 PolarHBondContact NH1-O 2.99Å; S432-L436 WeakPolarHBondContact O-CA 3.3Å; S432-L436 PolarHBondContact O-N 3.16Å; S432-L436 VanDerWaalsContact O-N 3.08Å; K434-L436 WeakPolarHBondContact O-CG 3.42Å; K434-L436 PolarHBondContact O-N 2.73Å; K434-L436 VanDerWaalsContact O-N 3.15Å | ||
| 437 | M | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | trans | -104.2 | 132.7 | 174.6 | -67.6 | -59.7 | -70.4 | 0 | 0 | 111.9 | I327 R329 S432 N435 I442 | I327-M437 HydrophobicContact CG2-CG 4.01Å; I327-M437 WeakPolarHBondContact O-CE 3.35Å; I327-M437 WeakPolarHBondContact O-CG 3.4Å; R329-M437 HydrophobicContact CB-CE 3.82Å; R329-M437 HydrophobicContact CB-SD 3.62Å; R329-M437 PolarHBondContact NH1-SD 2.88Å; R329-M437 VanDerWaalsContact NH1-SD 3.38Å; S432-M437 WeakPolarHBondContact CB-O 3.46Å; N435-M437 PolarHBondContact O-N 2.95Å; N435-M437 VanDerWaalsContact O-N 3.14Å; N435-M437 WeakPolarHBondContact OD1-CB 3.42Å; N435-M437 PolarHBondContact OD1-N 2.86Å; M437-I442 HydrophobicContact CB-CD1 4.35Å; M437-I442 HydrophobicContact CE-CD1 3.45Å; M437-I442 VanDerWaalsContact CE-CD1 3.45Å; M437-I442 HydrophobicContact CE-CG1 4Å | ||
| 438 | S | 97.7 | Very high | 97.4 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -107.9 | 166.4 | 172 | 77.6 | 0 | 0 | 0 | 0 | 111.3 | Q440 G441 I442 | S438-Q440 VanDerWaalsContact C-N 3.27Å; S438-Q440 PolarHBondContact O-N 3.37Å; S438-Q440 PolarHBondContact OG-N 3.29Å; S438-Q440 PolarHBondContact OG-OE1 3.45Å; S438-G441 WeakPolarHBondContact O-CA 3.43Å; S438-G441 PolarHBondContact O-N 3.18Å; S438-G441 PolarHBondContact OG-N 3.41Å; S438-G441 VanDerWaalsContact OG-N 3.12Å; S438-I442 PolarHBondContact O-N 2.82Å | ||
| 439 | T | 97.4 | Very high | 97.4 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.5 | -44.2 | 173.5 | -45.4 | 0 | 0 | 0 | 0 | 111.7 | L429 I442 G443 E472 L475 I476 | L429-T439 HydrophobicContact CD1-CG2 4.4Å; T439-I442 PolarHBondContact O-N 2.77Å; T439-G443 PolarHBondContact O-N 2.85Å; T439-E472 HydrophobicContact CG2-CB 4.23Å; T439-E472 HydrophobicContact CG2-CG 4.26Å; T439-L475 HydrophobicContact CG2-CB 4.41Å; T439-L475 HydrophobicContact CG2-CD2 4.1Å; T439-L475 HydrophobicContact CG2-CG 4.38Å; T439-I476 HydrophobicContact CG2-CD1 4.18Å; T439-I476 HydrophobicContact CG2-CG1 3.85Å |
| 440 | Q | 97.1 | Very high | 97.4 | Very high | 106 Ų | 106 | 51.2 Ų | 51.2 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 176.5 | -50.6 | 92.6 | -12.5 | 0 | 0 | 112 | S438 I442 G443 I444 | S438-Q440 VanDerWaalsContact C-N 3.27Å; S438-Q440 PolarHBondContact O-N 3.37Å; S438-Q440 PolarHBondContact OG-N 3.29Å; S438-Q440 PolarHBondContact OG-OE1 3.45Å; Q440-I442 VanDerWaalsContact C-N 3.32Å; Q440-I442 PolarHBondContact O-N 2.97Å; Q440-G443 PolarHBondContact O-N 2.86Å; Q440-I444 VanDerWaalsContact O-CG1 3.3Å; Q440-I444 WeakPolarHBondContact O-CG1 3.24Å; Q440-I444 PolarHBondContact O-N 3.21Å |
| 441 | G | 97.3 | Very high | 97.3 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S438 V445 | S438-G441 WeakPolarHBondContact O-CA 3.43Å; S438-G441 PolarHBondContact O-N 3.18Å; S438-G441 PolarHBondContact OG-N 3.41Å; S438-G441 VanDerWaalsContact OG-N 3.12Å; G441-V445 WeakPolarHBondContact O-CG2 3.32Å; G441-V445 PolarHBondContact O-N 2.82Å |
| 442 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -41.6 | 172.4 | -63.2 | -67.2 | 0 | 0 | 0 | 110.7 | L425 V428 L429 M437 S438 T439 Q440 I444 V445 F446 L475 | L425-I442 HydrophobicContact CD1-CG2 3.97Å; L425-I442 HydrophobicContact CD2-CD1 4.3Å; L425-I442 HydrophobicContact CD2-CG2 4.07Å; L425-I442 HydrophobicContact CG-CG2 4.41Å; V428-I442 HydrophobicContact CG1-CD1 4.32Å; L429-I442 HydrophobicContact CD2-CG1 4.01Å; M437-I442 HydrophobicContact CB-CD1 4.35Å; M437-I442 HydrophobicContact CE-CD1 3.45Å; M437-I442 VanDerWaalsContact CE-CD1 3.45Å; M437-I442 HydrophobicContact CE-CG1 4Å; S438-I442 PolarHBondContact O-N 2.82Å; T439-I442 PolarHBondContact O-N 2.77Å; Q440-I442 VanDerWaalsContact C-N 3.32Å; Q440-I442 PolarHBondContact O-N 2.97Å; I442-I444 PolarHBondContact O-N 2.86Å; I442-V445 PolarHBondContact O-N 3.45Å; I442-F446 HydrophobicContact CG2-CD2 3.89Å; I442-F446 WeakPolarHBondContact O-CB 3.48Å; I442-F446 PolarHBondContact O-N 3.43Å; I442-L475 HydrophobicContact CB-CD2 3.97Å; I442-L475 HydrophobicContact CG2-CD2 3.57Å |
| 443 | G | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T439 Q440 V445 G447 N468 | T439-G443 PolarHBondContact O-N 2.85Å; Q440-G443 PolarHBondContact O-N 2.86Å; G443-V445 VanDerWaalsContact C-N 3.32Å; G443-V445 PolarHBondContact O-N 2.87Å; G443-G447 WeakPolarHBondContact O-CA 3.28Å; G443-G447 PolarHBondContact O-N 2.94Å; G443-N468 PolarHBondContact O-OD1 3.45Å |
| 444 | I | 97 | Very high | 95.2 | Very high | 103 Ų | 103 | 41.4 Ų | 41.4 | 53% | 0.528 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 177.8 | -68.1 | 162.7 | 0 | 0 | 0 | 112.3 | Q440 I442 P448 | Q440-I444 VanDerWaalsContact O-CG1 3.3Å; Q440-I444 WeakPolarHBondContact O-CG1 3.24Å; Q440-I444 PolarHBondContact O-N 3.21Å; I442-I444 PolarHBondContact O-N 2.86Å; I444-P448 VanDerWaalsContact O-CD 3.3Å; I444-P448 WeakPolarHBondContact O-CD 3.23Å |
| 445 | V | 98 | Very high | 94 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -77.1 | -47.4 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | Y328 R329 K368 G441 I442 G443 T449 | Y328-V445 WeakPolarHBondContact O-CG1 3.46Å; R329-V445 HydrophobicContact CB-CG2 4.39Å; K368-V445 HydrophobicContact CD-CG1 3.66Å; G441-V445 WeakPolarHBondContact O-CG2 3.32Å; G441-V445 PolarHBondContact O-N 2.82Å; I442-V445 PolarHBondContact O-N 3.45Å; G443-V445 VanDerWaalsContact C-N 3.32Å; G443-V445 PolarHBondContact O-N 2.87Å; V445-T449 WeakPolarHBondContact O-CB 3.25Å; V445-T449 PolarHBondContact O-OG1 2.94Å |
| 446 | F | 98.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -90 | -22.7 | -171.4 | -81.9 | -85 | 0 | 0 | 0 | 114.4 | Y328 K368 L421 L425 I442 T449 L450 V471 | Y328-F446 AromaticContact CD1-CE2 3.65Å; Y328-F446 HydrophobicContact CD1-CE2 3.65Å; Y328-F446 AromaticContact CD1-CZ 3.46Å; Y328-F446 HydrophobicContact CD1-CZ 3.46Å; Y328-F446 VanDerWaalsContact CD1-CZ 3.46Å; Y328-F446 HydrophobicContact CD2-CE2 4.38Å; Y328-F446 HydrophobicContact CE1-CE2 4.25Å; Y328-F446 AromaticContact CE1-CZ 3.69Å; Y328-F446 HydrophobicContact CE1-CZ 3.69Å; Y328-F446 AromaticContact CG-CE2 3.73Å; Y328-F446 HydrophobicContact CG-CE2 3.73Å; Y328-F446 HydrophobicContact CG-CZ 4.02Å; K368-F446 HydrophobicContact CG-CZ 4.5Å; L421-F446 HydrophobicContact CD1-CE1 4.03Å; L421-F446 HydrophobicContact CD1-CZ 4.34Å; L421-F446 HydrophobicContact CD2-CD1 4.31Å; L421-F446 HydrophobicContact CD2-CE1 4.2Å; L425-F446 HydrophobicContact CD1-CD2 4.13Å; L425-F446 HydrophobicContact CD1-CE2 4.17Å; L425-F446 HydrophobicContact CD1-CG 4.3Å; L425-F446 HydrophobicContact CD1-CZ 4.4Å; L425-F446 HydrophobicContact CD2-CD2 4.23Å; L425-F446 HydrophobicContact CD2-CE2 3.61Å; L425-F446 HydrophobicContact CD2-CZ 3.99Å; I442-F446 HydrophobicContact CG2-CD2 3.89Å; I442-F446 WeakPolarHBondContact O-CB 3.48Å; I442-F446 PolarHBondContact O-N 3.43Å; F446-T449 HydrophobicContact CD1-CG2 4.44Å; F446-T449 PolarHBondContact O-N 2.95Å; F446-T449 VanDerWaalsContact O-N 3.15Å; F446-L450 HydrophobicContact CB-CD1 4.05Å; F446-L450 HydrophobicContact CB-CG 4.28Å; F446-L450 HydrophobicContact CD1-CD1 3.94Å; F446-L450 HydrophobicContact CD1-CD2 4.13Å; F446-L450 HydrophobicContact CD1-CG 3.94Å; F446-L450 HydrophobicContact CG-CD1 4.43Å; F446-L450 WeakPolarHBondContact O-CB 3.46Å; F446-L450 VanDerWaalsContact O-CG 3.3Å; F446-L450 WeakPolarHBondContact O-CG 3.48Å; F446-L450 PolarHBondContact O-N 3.25Å; F446-V471 HydrophobicContact CB-CG1 3.97Å |
| 447 | G | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -48.5 | -64.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G443 T449 L450 M451 | G443-G447 WeakPolarHBondContact O-CA 3.28Å; G443-G447 PolarHBondContact O-N 2.94Å; G447-T449 VanDerWaalsContact C-N 3.26Å; G447-T449 PolarHBondContact O-N 3.39Å; G447-L450 PolarHBondContact O-N 3.28Å; G447-M451 PolarHBondContact O-N 2.96Å; G447-M451 VanDerWaalsContact O-N 3.07Å |
| 448 | P | 95.7 | Very high | 88.9 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.7 | -11.5 | 177.6 | 30.5 | -36.6 | 0 | 0 | 0 | 114.2 | I444 M451 | I444-P448 VanDerWaalsContact O-CD 3.3Å; I444-P448 WeakPolarHBondContact O-CD 3.23Å; P448-M451 CarbonylContact C-O 3.56Å; P448-M451 WeakPolarHBondContact CA-O 3.45Å |
| 449 | T | 97.4 | Very high | 87.7 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.08 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -85.5 | -28.6 | 177.1 | -61 | 0 | 0 | 0 | 0 | 112.1 | K368 F371 V445 F446 G447 | K368-T449 HydrophobicContact CB-CG2 4.21Å; K368-T449 HydrophobicContact CG-CG2 4.42Å; F371-T449 HydrophobicContact CB-CG2 3.88Å; V445-T449 WeakPolarHBondContact O-CB 3.25Å; V445-T449 PolarHBondContact O-OG1 2.94Å; F446-T449 HydrophobicContact CD1-CG2 4.44Å; F446-T449 PolarHBondContact O-N 2.95Å; F446-T449 VanDerWaalsContact O-N 3.15Å; G447-T449 VanDerWaalsContact C-N 3.26Å; G447-T449 PolarHBondContact O-N 3.39Å |
| 450 | L | 97.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -107.1 | -14.2 | -177 | -56.2 | -179.7 | 0 | 0 | 0 | 113.2 | F371 P377 L378 F379 L421 F422 F446 G447 | F371-L450 HydrophobicContact CB-CD2 4.04Å; F371-L450 HydrophobicContact CD1-CD2 4Å; F371-L450 HydrophobicContact CD2-CD2 4.09Å; F371-L450 HydrophobicContact CG-CD2 3.78Å; P377-L450 VanDerWaalsContact CB-O 3.23Å; P377-L450 WeakPolarHBondContact CB-O 2.94Å; L378-L450 HydrophobicContact CB-CD2 4.21Å; L378-L450 HydrophobicContact CD2-CD2 3.88Å; L378-L450 PolarHBondContact N-O 3.39Å; F379-L450 HydrophobicContact CD2-CB 3.79Å; F379-L450 WeakPolarHBondContact CD2-O 3.38Å; F379-L450 HydrophobicContact CE2-CB 3.9Å; F379-L450 HydrophobicContact CE2-CD1 4.12Å; F379-L450 PolarHBondContact N-O 2.93Å; L421-L450 HydrophobicContact CD2-CD1 3.75Å; L421-L450 HydrophobicContact CD2-CD2 3.79Å; L421-L450 HydrophobicContact CD2-CG 4.41Å; F422-L450 HydrophobicContact CE2-CD1 4.46Å; F422-L450 HydrophobicContact CZ-CD1 4.38Å; F446-L450 HydrophobicContact CB-CD1 4.05Å; F446-L450 HydrophobicContact CB-CG 4.28Å; F446-L450 HydrophobicContact CD1-CD1 3.94Å; F446-L450 HydrophobicContact CD1-CD2 4.13Å; F446-L450 HydrophobicContact CD1-CG 3.94Å; F446-L450 HydrophobicContact CG-CD1 4.43Å; F446-L450 WeakPolarHBondContact O-CB 3.46Å; F446-L450 VanDerWaalsContact O-CG 3.3Å; F446-L450 WeakPolarHBondContact O-CG 3.48Å; F446-L450 PolarHBondContact O-N 3.25Å; G447-L450 PolarHBondContact O-N 3.28Å |
| 451 | M | 94.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -140.5 | 136.1 | 178.8 | -74.1 | 168.2 | -77.2 | 0 | 0 | 110.8 | F379 F384 G447 P448 Q467 I470 V471 | F379-M451 HydrophobicContact CB-CG 3.49Å; F379-M451 VanDerWaalsContact CB-CG 3.49Å; F379-M451 HydrophobicContact CB-SD 4.33Å; F379-M451 HydrophobicContact CD1-CG 4.48Å; F379-M451 HydrophobicContact CD1-SD 4.32Å; F379-M451 HydrophobicContact CD2-CE 4.32Å; F379-M451 HydrophobicContact CD2-CG 3.78Å; F379-M451 HydrophobicContact CD2-SD 4.3Å; F379-M451 HydrophobicContact CE2-CE 4.36Å; F379-M451 HydrophobicContact CG-CG 3.67Å; F379-M451 HydrophobicContact CG-SD 4.06Å; F384-M451 HydrophobicContact CD2-CB 4.34Å; F384-M451 HydrophobicContact CD2-CG 4.23Å; F384-M451 HydrophobicContact CD2-SD 4.07Å; F384-M451 HydrophobicContact CE2-CB 4.32Å; F384-M451 HydrophobicContact CE2-SD 4.09Å; G447-M451 PolarHBondContact O-N 2.96Å; G447-M451 VanDerWaalsContact O-N 3.07Å; P448-M451 CarbonylContact C-O 3.56Å; P448-M451 WeakPolarHBondContact CA-O 3.45Å; M451-Q467 HydrophobicContact CB-CG 3.79Å; M451-Q467 HydrophobicContact CE-CB 4.14Å; M451-Q467 HydrophobicContact CE-CG 4.47Å; M451-Q467 VanDerWaalsContact CE-O 3.26Å; M451-Q467 WeakPolarHBondContact CE-O 3.34Å; M451-Q467 PolarHBondContact O-NE2 3.23Å; M451-Q467 HydrophobicContact SD-CG 4.34Å; M451-I470 HydrophobicContact CE-CB 4.07Å; M451-I470 HydrophobicContact CE-CG2 3.93Å; M451-I470 HydrophobicContact SD-CB 4.33Å; M451-I470 HydrophobicContact SD-CD1 4.02Å; M451-I470 HydrophobicContact SD-CG2 4.04Å; M451-V471 HydrophobicContact CE-CG2 3.6Å | ||
| 452 | W | 89.8 | Confident | 84.6 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 22% | 0.223 | 33% | 0.325 | C | S | . | . | trans | -146.7 | 156.5 | 165.1 | 54.9 | 90.9 | 0 | 0 | 0 | 108.9 | F371 L374 P377 F381 | F371-W452 VanDerWaalsContact O-CH2 3.3Å; F371-W452 WeakPolarHBondContact O-CH2 3.4Å; L374-W452 HydrophobicContact CB-CH2 4.45Å; L374-W452 WeakPolarHBondContact O-CZ2 3.35Å; P377-W452 VanDerWaalsContact CA-CH2 3.45Å; P377-W452 HydrophobicContact CB-CD2 3.99Å; P377-W452 HydrophobicContact CB-CE3 3.81Å; P377-W452 HydrophobicContact CB-CH2 3.75Å; P377-W452 HydrophobicContact CB-CZ2 3.92Å; P377-W452 HydrophobicContact CB-CZ3 3.68Å; P377-W452 VanDerWaalsContact CD-CZ2 3.47Å; P377-W452 HydrophobicContact CG-CD2 3.96Å; P377-W452 HydrophobicContact CG-CE3 4.3Å; P377-W452 HydrophobicContact CG-CG 4.44Å; P377-W452 HydrophobicContact CG-CH2 4.36Å; P377-W452 HydrophobicContact CG-CZ2 4.01Å; P377-W452 HydrophobicContact CG-CZ3 4.49Å; F381-W452 WeakPolarHBondContact CD1-O 3.09Å; F381-W452 AromaticContact CE1-CD1 3.64Å; F381-W452 HydrophobicContact CE1-CG 4.45Å; F381-W452 AromaticContact CE1-NE1 3.6Å; F381-W452 WeakPolarHBondContact CE1-O 3.49Å; F381-W452 AromaticContact CZ-CD1 3.98Å; F381-W452 AromaticContact CZ-NE1 3.51Å | ||
| 453 | P | 77.6 | Confident | 83.8 | Confident | 46 Ų | 46 | 57 Ų | 57 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | trans | -70.1 | 144.5 | 176.9 | 29.7 | -35 | 0 | 0 | 0 | 111.3 | ||||
| 454 | E | 78.7 | Confident | 83.2 | Confident | 138 Ų | 138 | 61.3 Ų | 61.3 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -69.7 | -36.5 | 172.4 | -169.1 | 177.5 | 179.7 | 0 | 0 | 111.6 | F381 | F381-E454 HydrophobicContact CB-CB 4.15Å; F381-E454 HydrophobicContact CD1-CB 3.69Å; F381-E454 HydrophobicContact CD1-CG 4.42Å; F381-E454 HydrophobicContact CD2-CB 4.08Å; F381-E454 HydrophobicContact CD2-CG 3.92Å; F381-E454 HydrophobicContact CE1-CB 3.98Å; F381-E454 HydrophobicContact CE2-CB 4.36Å; F381-E454 HydrophobicContact CE2-CG 4.1Å; F381-E454 HydrophobicContact CG-CB 3.74Å; F381-E454 HydrophobicContact CG-CG 4.09Å; F381-E454 HydrophobicContact CZ-CB 4.3Å; F381-E454 HydrophobicContact CZ-CG 4.4Å |
| 455 | L | 72.3 | Confident | 83 | Confident | 133 Ų | 133 | 60 Ų | 60 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -135.4 | 138.9 | 178.5 | -66 | 173.4 | 0 | 0 | 0 | 109.8 | A457 | L455-A457 PolarHBondContact O-N 3.3Š|
| 456 | D | 64.8 | Low | 82.7 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -81.1 | 47.4 | -173.5 | -144.2 | 12 | 0 | 0 | 0 | 112.5 | M460 | D456-M460 WeakPolarHBondContact OD1-CE 3.44Å; D456-M460 WeakPolarHBondContact OD2-CE 3.38Å |
| 457 | A | 58.3 | Low | 82.5 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 79% | 0.793 | 36% | 0.356 | S | S | * | . | trans | -100.4 | 0.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.4 | L455 | L455-A457 PolarHBondContact O-N 3.3Š| ||
| 458 | G | 63.6 | Low | 82.5 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -114.2 | 175 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M460 | G458-M460 PolarHBondContact O-N 2.82Š|
| 459 | N | 73.7 | Confident | 82.5 | Confident | 109 Ų | 109 | 64.7 Ų | 64.7 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | trans | -69.3 | 96.2 | 167.8 | -175.6 | -19.8 | 0 | 0 | 0 | 108.9 | A461 V462 N463 | N459-A461 PolarHBondContact O-N 3.03Å; N459-A461 VanDerWaalsContact O-N 3.14Å; N459-A461 PolarHBondContact OD1-N 3.23Å; N459-V462 HydrophobicContact CB-CB 4.15Å; N459-V462 HydrophobicContact CB-CG2 4.05Å; N459-V462 WeakPolarHBondContact O-CB 3.44Å; N459-V462 PolarHBondContact O-N 2.94Å; N459-N463 PolarHBondContact O-N 2.86Å; N459-N463 VanDerWaalsContact O-N 3.09Å | ||
| 460 | M | 73.3 | Confident | 82.4 | Confident | 101 Ų | 101 | 64.2 Ų | 64.2 | 50% | 0.498 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -49 | -41.1 | -175.1 | -175.4 | -174.4 | -74.8 | 0 | 0 | 112.9 | D456 G458 V462 N463 M464 | D456-M460 WeakPolarHBondContact OD1-CE 3.44Å; D456-M460 WeakPolarHBondContact OD2-CE 3.38Å; G458-M460 PolarHBondContact O-N 2.82Å; M460-V462 PolarHBondContact O-N 3.24Å; M460-N463 PolarHBondContact O-N 3.46Å; M460-M464 WeakPolarHBondContact O-CG 3.42Å; M460-M464 PolarHBondContact O-N 3.06Å |
| 461 | A | 74.8 | Confident | 82.4 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N459 M464 V465 | N459-A461 PolarHBondContact O-N 3.03Å; N459-A461 VanDerWaalsContact O-N 3.14Å; N459-A461 PolarHBondContact OD1-N 3.23Å; A461-M464 PolarHBondContact O-N 2.71Å; A461-V465 WeakPolarHBondContact O-CG2 3.3Å; A461-V465 PolarHBondContact O-N 2.97Å |
| 462 | V | 77.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 38% | 0.376 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | N459 M460 V465 Y466 | N459-V462 HydrophobicContact CB-CB 4.15Å; N459-V462 HydrophobicContact CB-CG2 4.05Å; N459-V462 WeakPolarHBondContact O-CB 3.44Å; N459-V462 PolarHBondContact O-N 2.94Å; M460-V462 PolarHBondContact O-N 3.24Å; V462-V465 PolarHBondContact O-N 2.91Å; V462-Y466 HydrophobicContact CG1-CD2 3.84Å; V462-Y466 HydrophobicContact CG1-CE2 3.4Å; V462-Y466 VanDerWaalsContact O-CD2 3.27Å; V462-Y466 WeakPolarHBondContact O-CD2 3.25Å; V462-Y466 PolarHBondContact O-N 3.04Å; V462-Y466 VanDerWaalsContact O-N 3.15Å |
| 463 | N | 81.9 | Confident | 82.9 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 177 | -72.4 | -8.4 | 0 | 0 | 0 | 111.9 | F384 N459 M460 V465 Y466 Q467 | F384-N463 HydrophobicContact CZ-CB 4.29Å; N459-N463 PolarHBondContact O-N 2.86Å; N459-N463 VanDerWaalsContact O-N 3.09Å; M460-N463 PolarHBondContact O-N 3.46Å; N463-V465 PolarHBondContact O-N 2.88Å; N463-Y466 PolarHBondContact O-N 3.42Å; N463-Q467 VanDerWaalsContact O-CG 3.28Å; N463-Q467 WeakPolarHBondContact O-CG 3.43Å; N463-Q467 PolarHBondContact O-N 2.84Å |
| 464 | M | 85.8 | Confident | 83.8 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 174.9 | -73 | -178.2 | 72.7 | 0 | 0 | 112.9 | M460 A461 Q467 N468 | M460-M464 WeakPolarHBondContact O-CG 3.42Å; M460-M464 PolarHBondContact O-N 3.06Å; A461-M464 PolarHBondContact O-N 2.71Å; M464-Q467 PolarHBondContact O-N 3.33Å; M464-N468 PolarHBondContact O-N 3.06Å; M464-N468 PolarHBondContact O-OD1 2.82Å |
| 465 | V | 91.4 | Very high | 84.6 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | A461 V462 N463 N468 Q469 | A461-V465 WeakPolarHBondContact O-CG2 3.3Å; A461-V465 PolarHBondContact O-N 2.97Å; V462-V465 PolarHBondContact O-N 2.91Å; N463-V465 PolarHBondContact O-N 2.88Å; V465-N468 PolarHBondContact O-N 2.95Å; V465-Q469 HydrophobicContact CG1-CG 4.46Å; V465-Q469 WeakPolarHBondContact O-CG 3.42Å; V465-Q469 PolarHBondContact O-N 3.27Å |
| 466 | Y | 92.8 | Very high | 85.7 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 177.7 | -69.8 | -54 | 0 | 0 | 0 | 113.2 | V388 V391 K392 V462 N463 N468 Q469 I470 | V388-Y466 HydrophobicContact CG1-CD1 4.44Å; V388-Y466 HydrophobicContact CG1-CD2 3.7Å; V388-Y466 HydrophobicContact CG1-CE2 3.95Å; V388-Y466 HydrophobicContact CG1-CG 3.97Å; V388-Y466 HydrophobicContact CG2-CD2 4.43Å; V388-Y466 HydrophobicContact CG2-CG 4.33Å; V391-Y466 HydrophobicContact CG1-CD1 3.99Å; K392-Y466 WeakPolarHBondContact CE-OH 3.33Å; K392-Y466 HydrophobicContact CG-CE1 4.13Å; V462-Y466 HydrophobicContact CG1-CD2 3.84Å; V462-Y466 HydrophobicContact CG1-CE2 3.4Å; V462-Y466 VanDerWaalsContact O-CD2 3.27Å; V462-Y466 WeakPolarHBondContact O-CD2 3.25Å; V462-Y466 PolarHBondContact O-N 3.04Å; V462-Y466 VanDerWaalsContact O-N 3.15Å; N463-Y466 PolarHBondContact O-N 3.42Å; Y466-N468 VanDerWaalsContact C-N 3.32Å; Y466-N468 PolarHBondContact O-N 3.14Å; Y466-Q469 PolarHBondContact O-N 2.89Å; Y466-I470 WeakPolarHBondContact O-CB 3.32Å; Y466-I470 WeakPolarHBondContact O-CD1 3.39Å; Y466-I470 WeakPolarHBondContact O-CG1 3.37Å; Y466-I470 PolarHBondContact O-N 3.24Å |
| 467 | Q | 94.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.1 | -47.9 | 174.8 | -72.3 | 167.1 | -6.8 | 0 | 0 | 111.5 | F384 M451 N463 M464 I470 V471 | F384-Q467 HydrophobicContact CE2-CG 3.72Å; F384-Q467 HydrophobicContact CZ-CG 4.15Å; M451-Q467 HydrophobicContact CB-CG 3.79Å; M451-Q467 HydrophobicContact CE-CB 4.14Å; M451-Q467 HydrophobicContact CE-CG 4.47Å; M451-Q467 VanDerWaalsContact CE-O 3.26Å; M451-Q467 WeakPolarHBondContact CE-O 3.34Å; M451-Q467 PolarHBondContact O-NE2 3.23Å; M451-Q467 HydrophobicContact SD-CG 4.34Å; N463-Q467 VanDerWaalsContact O-CG 3.28Å; N463-Q467 WeakPolarHBondContact O-CG 3.43Å; N463-Q467 PolarHBondContact O-N 2.84Å; M464-Q467 PolarHBondContact O-N 3.33Å; Q467-I470 PolarHBondContact O-N 2.85Å; Q467-V471 PolarHBondContact O-N 3.46Å |
| 468 | N | 95.8 | Very high | 88.8 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 16% | 0.16 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 178.1 | -62.1 | -5.9 | 0 | 0 | 0 | 110.9 | G443 M464 V465 Y466 I470 V471 E472 | G443-N468 PolarHBondContact O-OD1 3.45Å; M464-N468 PolarHBondContact O-N 3.06Å; M464-N468 PolarHBondContact O-OD1 2.82Å; V465-N468 PolarHBondContact O-N 2.95Å; Y466-N468 VanDerWaalsContact C-N 3.32Å; Y466-N468 PolarHBondContact O-N 3.14Å; N468-I470 VanDerWaalsContact C-N 3.33Å; N468-I470 PolarHBondContact O-N 2.85Å; N468-V471 PolarHBondContact O-N 3.39Å; N468-E472 WeakPolarHBondContact O-CB 3.34Å; N468-E472 WeakPolarHBondContact O-CG 3.38Å; N468-E472 PolarHBondContact O-N 3.3Å |
| 469 | Q | 95.7 | Very high | 90.1 | Very high | 82 Ų | 82 | 52.6 Ų | 52.6 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 178.5 | -73.3 | 177.7 | -3.9 | 0 | 0 | 113.5 | V391 V465 Y466 F473 | V391-Q469 HydrophobicContact CG2-CB 4.38Å; V465-Q469 HydrophobicContact CG1-CG 4.46Å; V465-Q469 WeakPolarHBondContact O-CG 3.42Å; V465-Q469 PolarHBondContact O-N 3.27Å; Y466-Q469 PolarHBondContact O-N 2.89Å; Q469-F473 VanDerWaalsContact O-CB 3.24Å; Q469-F473 WeakPolarHBondContact O-CB 3.45Å; Q469-F473 PolarHBondContact O-N 3.23Å |
| 470 | I | 96.9 | Very high | 91 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 176.2 | -70.9 | 158.8 | 0 | 0 | 0 | 110 | F379 F387 V388 V391 M451 Y466 Q467 N468 F473 I474 | F379-I470 HydrophobicContact CE1-CG2 4.15Å; F387-I470 HydrophobicContact CB-CD1 3.8Å; F387-I470 HydrophobicContact CB-CG1 4.25Å; F387-I470 HydrophobicContact CB-CG2 4.3Å; F387-I470 HydrophobicContact CD1-CG2 4.42Å; V388-I470 HydrophobicContact CG2-CD1 4Å; V391-I470 HydrophobicContact CB-CG1 4.11Å; V391-I470 HydrophobicContact CG1-CG1 4.02Å; V391-I470 HydrophobicContact CG2-CG1 4.46Å; M451-I470 HydrophobicContact CE-CB 4.07Å; M451-I470 HydrophobicContact CE-CG2 3.93Å; M451-I470 HydrophobicContact SD-CB 4.33Å; M451-I470 HydrophobicContact SD-CD1 4.02Å; M451-I470 HydrophobicContact SD-CG2 4.04Å; Y466-I470 WeakPolarHBondContact O-CB 3.32Å; Y466-I470 WeakPolarHBondContact O-CD1 3.39Å; Y466-I470 WeakPolarHBondContact O-CG1 3.37Å; Y466-I470 PolarHBondContact O-N 3.24Å; Q467-I470 PolarHBondContact O-N 2.85Å; N468-I470 VanDerWaalsContact C-N 3.33Å; N468-I470 PolarHBondContact O-N 2.85Å; I470-F473 PolarHBondContact O-N 2.92Å; I470-I474 HydrophobicContact CG2-CD1 3.64Å; I470-I474 WeakPolarHBondContact O-CB 3.3Å; I470-I474 VanDerWaalsContact O-CG1 3.26Å; I470-I474 WeakPolarHBondContact O-CG1 3.4Å; I470-I474 PolarHBondContact O-N 3.31Å |
| 471 | V | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | F422 F446 M451 Q467 N468 F473 I474 L475 | F422-V471 HydrophobicContact CE1-CG1 4.02Å; F422-V471 HydrophobicContact CZ-CG1 4.28Å; F446-V471 HydrophobicContact CB-CG1 3.97Å; M451-V471 HydrophobicContact CE-CG2 3.6Å; Q467-V471 PolarHBondContact O-N 3.46Å; N468-V471 PolarHBondContact O-N 3.39Å; V471-F473 VanDerWaalsContact C-N 3.35Å; V471-F473 PolarHBondContact O-N 2.6Å; V471-I474 PolarHBondContact O-N 2.96Å; V471-L475 WeakPolarHBondContact O-CB 3.45Å; V471-L475 PolarHBondContact O-N 3.29Å |
| 472 | E | 96.9 | Very high | 92.8 | Very high | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.6 | -74.3 | 176.6 | -141.2 | 0 | 0 | 111.7 | T439 N468 L475 I476 | T439-E472 HydrophobicContact CG2-CB 4.23Å; T439-E472 HydrophobicContact CG2-CG 4.26Å; N468-E472 WeakPolarHBondContact O-CB 3.34Å; N468-E472 WeakPolarHBondContact O-CG 3.38Å; N468-E472 PolarHBondContact O-N 3.3Å; E472-L475 PolarHBondContact O-N 3Å; E472-I476 WeakPolarHBondContact O-CD1 3.42Å; E472-I476 VanDerWaalsContact O-CG1 3.26Å; E472-I476 WeakPolarHBondContact O-CG1 3.44Å; E472-I476 PolarHBondContact O-N 3.12Å |
| 473 | F | 97.1 | Very high | 93.3 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 10% | 0.096 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -47 | -179.8 | -179.4 | -102.8 | 0 | 0 | 0 | 112.6 | V391 T396 K399 T400 V403 Q469 I470 V471 L475 I476 E477 I481 | V391-F473 HydrophobicContact CG2-CB 4.21Å; T396-F473 HydrophobicContact CG2-CE2 4.3Å; K399-F473 HydrophobicContact CB-CE1 4.48Å; K399-F473 HydrophobicContact CB-CZ 3.99Å; K399-F473 HydrophobicContact CD-CD1 4.08Å; K399-F473 HydrophobicContact CD-CD2 3.7Å; K399-F473 HydrophobicContact CD-CE1 3.89Å; K399-F473 HydrophobicContact CD-CE2 3.49Å; K399-F473 VanDerWaalsContact CD-CE2 3.49Å; K399-F473 HydrophobicContact CD-CG 3.99Å; K399-F473 HydrophobicContact CD-CZ 3.58Å; K399-F473 HydrophobicContact CG-CD1 4.19Å; K399-F473 HydrophobicContact CG-CD2 4.49Å; K399-F473 HydrophobicContact CG-CE1 3.62Å; K399-F473 HydrophobicContact CG-CE2 3.97Å; K399-F473 HydrophobicContact CG-CZ 3.49Å; K399-F473 VanDerWaalsContact CG-CZ 3.49Å; T400-F473 WeakPolarHBondContact OG1-CZ 3.18Å; V403-F473 HydrophobicContact CB-CD1 4.4Å; V403-F473 HydrophobicContact CB-CE1 3.99Å; V403-F473 HydrophobicContact CG1-CD1 4.33Å; V403-F473 HydrophobicContact CG1-CE1 4.27Å; V403-F473 HydrophobicContact CG2-CD1 3.95Å; V403-F473 HydrophobicContact CG2-CE1 3.77Å; Q469-F473 VanDerWaalsContact O-CB 3.24Å; Q469-F473 WeakPolarHBondContact O-CB 3.45Å; Q469-F473 PolarHBondContact O-N 3.23Å; I470-F473 PolarHBondContact O-N 2.92Å; V471-F473 VanDerWaalsContact C-N 3.35Å; V471-F473 PolarHBondContact O-N 2.6Å; F473-L475 PolarHBondContact O-N 3.36Å; F473-I476 PolarHBondContact O-N 2.76Å; F473-E477 HydrophobicContact CD2-CG 4.13Å; F473-E477 HydrophobicContact CE1-CG 4.4Å; F473-E477 HydrophobicContact CE2-CB 4.46Å; F473-E477 HydrophobicContact CE2-CG 3.47Å; F473-E477 VanDerWaalsContact CE2-CG 3.47Å; F473-E477 HydrophobicContact CZ-CB 4.25Å; F473-E477 HydrophobicContact CZ-CG 3.64Å; F473-E477 PolarHBondContact O-N 3Å; F473-I481 HydrophobicContact CE1-CD1 4.23Å |
| 474 | I | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.8 | -67 | 165.9 | 0 | 0 | 0 | 110.8 | F379 F387 V403 I407 F422 I470 V471 S478 I481 F482 | F379-I474 HydrophobicContact CE1-CD1 3.52Å; F379-I474 HydrophobicContact CZ-CD1 3.57Å; F387-I474 HydrophobicContact CE1-CD1 4.44Å; V403-I474 HydrophobicContact CG1-CD1 4.13Å; V403-I474 HydrophobicContact CG1-CG1 3.62Å; I407-I474 HydrophobicContact CD1-CD1 4.09Å; I407-I474 HydrophobicContact CD1-CG1 4.24Å; I407-I474 HydrophobicContact CD1-CG2 4.26Å; F422-I474 HydrophobicContact CD1-CB 4.38Å; F422-I474 HydrophobicContact CD1-CG2 3.73Å; F422-I474 HydrophobicContact CD2-CG2 3.88Å; F422-I474 HydrophobicContact CE1-CB 3.88Å; F422-I474 HydrophobicContact CE1-CG2 3.6Å; F422-I474 HydrophobicContact CE2-CG2 3.77Å; F422-I474 HydrophobicContact CG-CG2 3.87Å; F422-I474 HydrophobicContact CZ-CB 3.99Å; F422-I474 HydrophobicContact CZ-CG2 3.63Å; I470-I474 HydrophobicContact CG2-CD1 3.64Å; I470-I474 WeakPolarHBondContact O-CB 3.3Å; I470-I474 VanDerWaalsContact O-CG1 3.26Å; I470-I474 WeakPolarHBondContact O-CG1 3.4Å; I470-I474 PolarHBondContact O-N 3.31Å; V471-I474 PolarHBondContact O-N 2.96Å; I474-S478 WeakPolarHBondContact O-CA 3.33Å; I474-S478 VanDerWaalsContact O-CB 3.23Å; I474-S478 WeakPolarHBondContact O-CB 3.38Å; I474-S478 PolarHBondContact O-N 2.86Å; I474-I481 HydrophobicContact CB-CD1 4.4Å; I474-I481 HydrophobicContact CG1-CD1 4.27Å; I474-I481 HydrophobicContact CG2-CD1 4.46Å; I474-F482 HydrophobicContact CG2-CE2 3.71Å; I474-F482 HydrophobicContact CG2-CZ 4.07Å |
| 475 | L | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.4 | -47.2 | 176.9 | -171.8 | 55.2 | 0 | 0 | 0 | 111.2 | F422 L425 Q426 L429 T439 I442 V471 E472 F473 S478 | F422-L475 HydrophobicContact CD1-CB 4.11Å; F422-L475 HydrophobicContact CD1-CD1 4.07Å; F422-L475 HydrophobicContact CE1-CB 4.19Å; L425-L475 HydrophobicContact CB-CD1 3.64Å; Q426-L475 HydrophobicContact CG-CD1 4.15Å; Q426-L475 PolarHBondContact NE2-O 3.3Å; L429-L475 HydrophobicContact CD1-CD1 4.26Å; L429-L475 HydrophobicContact CD1-CD2 3.56Å; L429-L475 HydrophobicContact CD1-CG 3.72Å; L429-L475 HydrophobicContact CG-CD2 4.34Å; T439-L475 HydrophobicContact CG2-CB 4.41Å; T439-L475 HydrophobicContact CG2-CD2 4.1Å; T439-L475 HydrophobicContact CG2-CG 4.38Å; I442-L475 HydrophobicContact CB-CD2 3.97Å; I442-L475 HydrophobicContact CG2-CD2 3.57Å; V471-L475 WeakPolarHBondContact O-CB 3.45Å; V471-L475 PolarHBondContact O-N 3.29Å; E472-L475 PolarHBondContact O-N 3Å; F473-L475 PolarHBondContact O-N 3.36Å; L475-S478 VanDerWaalsContact O-CB 3.3Å; L475-S478 WeakPolarHBondContact O-CB 3.38Å; L475-S478 PolarHBondContact O-N 3.11Å; L475-S478 PolarHBondContact O-OG 3.29Å |
| 476 | I | 94.9 | Very high | 89.2 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.4 | -54.5 | 176.9 | -68.1 | 162.6 | 0 | 0 | 0 | 111 | T439 E472 F473 S478 | T439-I476 HydrophobicContact CG2-CD1 4.18Å; T439-I476 HydrophobicContact CG2-CG1 3.85Å; E472-I476 WeakPolarHBondContact O-CD1 3.42Å; E472-I476 VanDerWaalsContact O-CG1 3.26Å; E472-I476 WeakPolarHBondContact O-CG1 3.44Å; E472-I476 PolarHBondContact O-N 3.12Å; F473-I476 PolarHBondContact O-N 2.76Å; I476-S478 VanDerWaalsContact C-N 3.26Å; I476-S478 PolarHBondContact O-N 3.22Å |
| 477 | E | 94.6 | Very high | 86.3 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 23% | 0.234 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 14.5 | -174.9 | -56.7 | -59.3 | 166.2 | 0 | 0 | 113.4 | T400 F473 R479 E480 I481 | T400-E477 HydrophobicContact CG2-CB 4.07Å; T400-E477 HydrophobicContact CG2-CG 4.5Å; F473-E477 HydrophobicContact CD2-CG 4.13Å; F473-E477 HydrophobicContact CE1-CG 4.4Å; F473-E477 HydrophobicContact CE2-CB 4.46Å; F473-E477 HydrophobicContact CE2-CG 3.47Å; F473-E477 VanDerWaalsContact CE2-CG 3.47Å; F473-E477 HydrophobicContact CZ-CB 4.25Å; F473-E477 HydrophobicContact CZ-CG 3.64Å; F473-E477 PolarHBondContact O-N 3Å; E477-R479 PolarHBondContact O-N 3.35Å; E477-E480 PolarHBondContact O-N 3.15Å; E477-I481 HydrophobicContact CB-CD1 3.76Å; E477-I481 HydrophobicContact CB-CG1 4.17Å; E477-I481 WeakPolarHBondContact O-CB 3.33Å; E477-I481 WeakPolarHBondContact O-CG1 3.38Å; E477-I481 PolarHBondContact O-N 3.12Å |
| 478 | S | 93 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -50.7 | -35.9 | -175.8 | 50.2 | 0 | 0 | 0 | 0 | 114 | Q426 I474 L475 I476 F482 | Q426-S478 WeakPolarHBondContact CG-OG 3.31Å; I474-S478 WeakPolarHBondContact O-CA 3.33Å; I474-S478 VanDerWaalsContact O-CB 3.23Å; I474-S478 WeakPolarHBondContact O-CB 3.38Å; I474-S478 PolarHBondContact O-N 2.86Å; L475-S478 VanDerWaalsContact O-CB 3.3Å; L475-S478 WeakPolarHBondContact O-CB 3.38Å; L475-S478 PolarHBondContact O-N 3.11Å; L475-S478 PolarHBondContact O-OG 3.29Å; I476-S478 VanDerWaalsContact C-N 3.26Å; I476-S478 PolarHBondContact O-N 3.22Å; S478-F482 WeakPolarHBondContact O-CB 3.4Å; S478-F482 WeakPolarHBondContact O-CD2 3.15Å; S478-F482 PolarHBondContact O-N 3.49Å |
| 479 | R | 90.6 | Very high | 85.4 | Confident | 177 Ų | 177 | 64.6 Ų | 64.6 | 67% | 0.668 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 178 | -63.5 | -175.1 | -175.2 | -169.3 | 0.2 | 112.8 | E477 D483 L484 | E477-R479 PolarHBondContact O-N 3.35Å; R479-D483 CarbonylContact O-C 3.56Å; R479-D483 VanDerWaalsContact O-CA 3.3Å; R479-D483 WeakPolarHBondContact O-CA 3.34Å; R479-D483 PolarHBondContact O-N 3.01Å; R479-L484 PolarHBondContact O-N 3.23Å |
| 480 | E | 92.8 | Very high | 84.8 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -77.3 | -38.6 | 178.6 | -170.6 | 179 | 156.9 | 0 | 0 | 111.3 | T400 K404 E477 | T400-E480 HydrophobicContact CG2-CB 3.97Å; T400-E480 VanDerWaalsContact CG2-CD 3.5Å; T400-E480 HydrophobicContact CG2-CG 3.83Å; K404-E480 WeakPolarHBondContact CD-O 3.38Å; K404-E480 WeakPolarHBondContact CE-O 3.24Å; K404-E480 PolarHBondContact NZ-O 2.73Å; E477-E480 PolarHBondContact O-N 3.15Å |
| 481 | I | 94.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.3 | -47.6 | -178.5 | -72.4 | 170.2 | 0 | 0 | 0 | 112.1 | T400 V403 K404 I407 F473 I474 E477 | T400-I481 HydrophobicContact CG2-CG1 3.93Å; V403-I481 HydrophobicContact CG1-CD1 3.86Å; K404-I481 WeakPolarHBondContact CE-O 3.35Å; K404-I481 WeakPolarHBondContact CG-O 3.42Å; I407-I481 HydrophobicContact CD1-CG2 3.39Å; F473-I481 HydrophobicContact CE1-CD1 4.23Å; I474-I481 HydrophobicContact CB-CD1 4.4Å; I474-I481 HydrophobicContact CG1-CD1 4.27Å; I474-I481 HydrophobicContact CG2-CD1 4.46Å; E477-I481 HydrophobicContact CB-CD1 3.76Å; E477-I481 HydrophobicContact CB-CG1 4.17Å; E477-I481 WeakPolarHBondContact O-CB 3.33Å; E477-I481 WeakPolarHBondContact O-CG1 3.38Å; E477-I481 PolarHBondContact O-N 3.12Å |
| 482 | F | 92.2 | Very high | 83.2 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 7 | -175.6 | -63.2 | -73.6 | 0 | 0 | 0 | 114 | I407 M418 K419 F422 I474 S478 L484 | I407-F482 HydrophobicContact CD1-CE1 4.4Å; I407-F482 HydrophobicContact CD1-CZ 4.08Å; I407-F482 HydrophobicContact CG2-CD1 4.15Å; I407-F482 HydrophobicContact CG2-CE1 3.62Å; I407-F482 HydrophobicContact CG2-CZ 4.36Å; M418-F482 HydrophobicContact CB-CE1 4.06Å; M418-F482 HydrophobicContact CB-CZ 4Å; K419-F482 HydrophobicContact CB-CD1 3.66Å; K419-F482 HydrophobicContact CB-CE1 4.01Å; K419-F482 HydrophobicContact CB-CG 4.27Å; K419-F482 HydrophobicContact CD-CB 4.12Å; K419-F482 HydrophobicContact CD-CD1 4.32Å; K419-F482 WeakPolarHBondContact CE-O 3.27Å; K419-F482 HydrophobicContact CG-CB 4.05Å; K419-F482 HydrophobicContact CG-CD1 4Å; K419-F482 HydrophobicContact CG-CG 4.18Å; K419-F482 PolarHBondContact NZ-O 3.31Å; F422-F482 HydrophobicContact CB-CD2 4.36Å; F422-F482 HydrophobicContact CB-CE2 3.69Å; F422-F482 HydrophobicContact CB-CZ 4.34Å; F422-F482 HydrophobicContact CD2-CE2 4.02Å; F422-F482 AromaticContact CD2-CZ 3.96Å; F422-F482 HydrophobicContact CD2-CZ 3.96Å; F422-F482 AromaticContact CG-CE2 3.98Å; F422-F482 HydrophobicContact CG-CE2 3.98Å; F422-F482 HydrophobicContact CG-CZ 4.39Å; I474-F482 HydrophobicContact CG2-CE2 3.71Å; I474-F482 HydrophobicContact CG2-CZ 4.07Å; S478-F482 WeakPolarHBondContact O-CB 3.4Å; S478-F482 WeakPolarHBondContact O-CD2 3.15Å; S478-F482 PolarHBondContact O-N 3.49Å; F482-L484 VanDerWaalsContact C-N 3.31Å; F482-L484 HydrophobicContact CB-CD1 4.22Å; F482-L484 HydrophobicContact CB-CD2 4.26Å; F482-L484 HydrophobicContact CB-CG 3.89Å; F482-L484 PolarHBondContact O-N 2.73Å |
| 483 | D | 87.1 | Confident | 82.3 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 42.3 | -175.3 | -65.3 | -65.7 | 0 | 0 | 0 | 113.6 | K404 R479 G485 R486 | K404-D483 WeakPolarHBondContact CE-OD2 3.41Å; K404-D483 IonicContact NZ-OD1 3.87Å; K404-D483 PolarHBondContact NZ-OD1 3.25Å; K404-D483 IonicContact NZ-OD2 3.16Å; K404-D483 PolarHBondContact NZ-OD2 3.04Å; R479-D483 CarbonylContact O-C 3.56Å; R479-D483 VanDerWaalsContact O-CA 3.3Å; R479-D483 WeakPolarHBondContact O-CA 3.34Å; R479-D483 PolarHBondContact O-N 3.01Å; D483-G485 PolarHBondContact O-N 2.99Å; D483-R486 PolarHBondContact O-N 3.47Å |
| 484 | L | 75.8 | Confident | 81.3 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 29% | 0.293 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 74.6 | 177.6 | -53.9 | 169 | 0 | 0 | 0 | 109.9 | K419 S423 R479 F482 | K419-L484 HydrophobicContact CG-CD2 4.37Å; S423-L484 WeakPolarHBondContact OG-CD1 3.18Å; S423-L484 WeakPolarHBondContact OG-CD2 3.4Å; R479-L484 PolarHBondContact O-N 3.23Å; F482-L484 VanDerWaalsContact C-N 3.31Å; F482-L484 HydrophobicContact CB-CD1 4.22Å; F482-L484 HydrophobicContact CB-CD2 4.26Å; F482-L484 HydrophobicContact CB-CG 3.89Å; F482-L484 PolarHBondContact O-N 2.73Å |
| 485 | G | 55.1 | Low | 80.1 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 78% | 0.784 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 162.4 | 1.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D483 | D483-G485 PolarHBondContact O-N 2.99Š|
| 486 | R | 41.5 | Very low | 78.7 | Confident | 213 Ų | 213 | 89.6 Ų | 89.6 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | trans | -110.6 | 79 | 167.2 | -61.4 | -173 | -165.3 | -162.5 | 4.1 | 110.1 | D483 | D483-R486 PolarHBondContact O-N 3.47Š| ||
| 487 | M | 32.9 | Very low | 77.3 | Confident | 263 Ų | 263 | 88.8 Ų | 88.8 | 100% | 1.296 | 43% | 0.434 | S | S | * | . | trans | -136 | 0 | 160.4 | -77.2 | -172.9 | 174.6 | 0 | 0 | 107.5 |
Retrieved 487 of 487 residues in 132 ms
(Link to these results)