| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 36.4 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 100% | 1.172 | 81% | 0.805 | S | S | * | * | 0 | 87.7 | 0 | -59.3 | 156.7 | 177.3 | 0 | 0 | 106.1 | |||||
| 2 | K | 32.8 | Very low | 35.8 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | cis | 66.1 | 126.8 | 24.9 | -96.8 | -168.5 | 161.3 | -141.6 | 0 | 115.6 | ||||
| 3 | E | 33 | Very low | 35.3 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 76.9 | 144.1 | 156.5 | -68.4 | 161.1 | -144.7 | 0 | 0 | 115.9 | ||||
| 4 | T | 30.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | cis | -155 | 165.9 | 13.3 | -10.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 5 | F | 31.3 | Very low | 35.1 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 79% | 0.789 | 80% | 0.797 | S | S | * | * | trans | -67.5 | -179.9 | 169.8 | -92.1 | -80.8 | 0 | 0 | 0 | 113.7 | ||||
| 6 | P | 50.9 | Low | 34.9 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | cis | -149.8 | 170.5 | 35.2 | 42.9 | -20.6 | 0 | 0 | 0 | 121.9 | ||||
| 7 | K | 33.8 | Very low | 34.7 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 159.7 | 157.7 | -63.6 | 176.4 | 175.8 | 179.8 | 0 | 110.7 | ||||
| 8 | P | 47.8 | Very low | 34.4 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -93 | 143.9 | 162.9 | 34.4 | -30.4 | 0 | 0 | 0 | 113.8 | ||||
| 9 | H | 32.9 | Very low | 34.3 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -147.4 | 153.8 | 174.3 | -78.2 | -101.2 | 0 | 0 | 0 | 105.9 | ||||
| 10 | S | 35 | Very low | 34.2 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | cis | -171.1 | 173.5 | -3.2 | 41.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 11 | S | 31.5 | Very low | 34 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 140.9 | 144 | 147.8 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 12 | G | 30.2 | Very low | 33.6 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | cis | 142.1 | 123.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 13 | M | 28.4 | Very low | 33.5 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 99% | 0.985 | 78% | 0.776 | S | S | * | * | trans | -153.9 | 144.8 | 158.6 | -89.1 | -130.2 | -164.1 | 0 | 0 | 111 | ||||
| 14 | A | 33 | Very low | 33.2 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -118.1 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 15 | A | 34.9 | Very low | 33.2 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | cis | -173.6 | -164.3 | -15 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 16 | L | 32.1 | Very low | 33 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | 81.9 | 137.5 | 165.2 | -52.6 | 164.7 | 0 | 0 | 0 | 115.8 | ||||
| 17 | F | 31.7 | Very low | 31.9 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | cis | -132.6 | 169.9 | 1.1 | -80.8 | -96.1 | 0 | 0 | 0 | 108.4 | ||||
| 18 | G | 29.4 | Very low | 31.6 | Very low | 66 Ų | 66 | 134.7 Ų | 134.7 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | cis | 168.7 | 147.9 | 0.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | E | 31.6 | Very low | 30.6 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -60.6 | 167.5 | -167.8 | -58.3 | 162.9 | 132.6 | 0 | 0 | 116 | ||||
| 20 | I | 32.7 | Very low | 30.4 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | -156.5 | 131.1 | 88.1 | -85.5 | 152.8 | 0 | 0 | 0 | 113.1 | |||||
| 21 | S | 30 | Very low | 30.4 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -22.7 | 163.6 | 149.6 | -54.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 22 | Q | 32.3 | Very low | 30.4 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | cis | -153.8 | 154.8 | 46.5 | -68.8 | 177.7 | -15.7 | 0 | 0 | 115.8 | ||||
| 23 | Q | 29.4 | Very low | 30.4 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -64.1 | 174.6 | 156.3 | -97.2 | 174.3 | -36.3 | 0 | 0 | 112 | ||||
| 24 | L | 27.9 | Very low | 30.5 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | cis | -165.6 | 176 | 24.5 | -128.3 | 155.8 | 0 | 0 | 0 | 110.6 | ||||
| 25 | D | 29.9 | Very low | 30.4 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | -69.8 | 163.7 | 177.5 | -55 | -82.3 | 0 | 0 | 0 | 116.1 | ||||
| 26 | F | 27.8 | Very low | 30.5 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | 174.4 | 159 | 110.8 | -102.3 | -79.7 | 0 | 0 | 0 | 114.8 | |||||
| 27 | S | 28.5 | Very low | 30.6 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -49.2 | 158.2 | -175.6 | 65.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 28 | S | 27.1 | Very low | 30.7 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | -173 | 165.8 | 120.7 | -162.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 29 | C | 27 | Very low | 30.8 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 86% | 0.858 | 78% | 0.776 | S | S | * | * | trans | -97 | 169 | -179.3 | -59.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 30 | G | 28.9 | Very low | 31 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 94.7 | 149.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 31 | E | 33.2 | Very low | 31.2 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | cis | 179.1 | 146.3 | -16.1 | -133 | 172.5 | -171.6 | 0 | 0 | 105.2 | ||||
| 32 | E | 32.7 | Very low | 31.4 | Very low | 188 Ų | 188 | 134 Ų | 134 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 60.4 | 150.1 | 166.2 | -51.3 | -169 | 163 | 0 | 0 | 119 | ||||
| 33 | G | 29.7 | Very low | 31.7 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | cis | 178.7 | -174.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 34 | N | 30 | Very low | 31.9 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 72 | 114.2 | 172.2 | -75.9 | 7.4 | 0 | 0 | 0 | 118.4 | ||||
| 35 | S | 31.7 | Very low | 32 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | 81.8 | 140 | 67.2 | 78.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 36 | S | 36.3 | Very low | 32.3 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | cis | -157.1 | 138.5 | 37.3 | 49.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 37 | D | 34.6 | Very low | 33.4 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | 75.1 | 128.6 | 70.2 | -80.1 | -29.4 | 0 | 0 | 0 | 117.4 | |||||
| 38 | N | 33.3 | Very low | 33.4 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 166.9 | 130.8 | 147.7 | -87.7 | -23.1 | 0 | 0 | 0 | 107.8 | ||||
| 39 | T | 33.1 | Very low | 33.4 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | cis | -161.4 | 136.6 | 15.8 | 11.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 40 | S | 34.4 | Very low | 33.5 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | 27.7 | 149.9 | 136.1 | 59 | 0 | 0 | 0 | 0 | 122 | ||||
| 41 | D | 37.4 | Very low | 34.7 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | cis | -167.1 | 172.6 | -8.4 | -90.8 | -32.6 | 0 | 0 | 0 | 105.4 | ||||
| 42 | D | 35 | Very low | 34.4 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | cis | -163.6 | 159.6 | 33.2 | -148.3 | -18.6 | 0 | 0 | 0 | 113.4 | ||||
| 43 | C | 37 | Very low | 34.3 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -3.9 | 155.7 | 162.3 | -72.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 44 | A | 34.2 | Very low | 34.4 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | cis | -168.4 | 165.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 45 | G | 29.9 | Very low | 34.3 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 141.7 | 89 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 46 | L | 36.6 | Very low | 34.2 | Very low | 170 Ų | 170 | 125 Ų | 125 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -77.4 | -179.1 | 175.3 | -70.9 | 163.9 | 0 | 0 | 0 | 113.2 | ||||
| 47 | P | 49.9 | Very low | 34 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | -137 | -177.3 | -53.4 | 40.2 | -24.5 | 0 | 0 | 0 | 112.8 | |||||
| 48 | G | 30.3 | Very low | 35 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 167.3 | 103.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 49 | C | 27.2 | Very low | 34.7 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -52 | 141.5 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 50 | S | 27.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | 37.4 | 166.3 | 115.4 | -46.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 51 | P | 53.9 | Low | 34.3 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | -141.6 | 170.3 | -46.4 | 39.6 | -23.1 | 0 | 0 | 0 | 115.2 | ||||
| 52 | G | 27.8 | Very low | 34 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 106.7 | 160.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 53 | L | 31.1 | Very low | 33.7 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | 79 | 106.3 | 151.8 | -67.1 | 164.2 | 0 | 0 | 0 | 123.6 | ||||
| 54 | A | 30.6 | Very low | 33.4 | Very low | 82 Ų | 82 | 145.5 Ų | 145.5 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | 46.8 | 125.8 | 115.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 55 | C | 29.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | 61.8 | 116.8 | 137.3 | -61.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 56 | R | 29.2 | Very low | 33.2 | Very low | 249 Ų | 249 | 153.7 Ų | 153.7 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | 169.6 | 161.1 | 112.6 | -92.5 | 176.5 | 178.5 | -156.8 | -0 | 114.3 | |||||
| 57 | T | 31.9 | Very low | 32.9 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -89.1 | -166.2 | 175.8 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 58 | P | 54.5 | Low | 31.8 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | cis | -130.2 | -178.9 | -42.9 | 30.1 | -11.2 | 0 | 0 | 0 | 113.1 | ||||
| 59 | R | 28 | Very low | 31.8 | Very low | 252 Ų | 252 | 152.2 Ų | 152.2 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | trans | -165.2 | 170.7 | 145.3 | -118.3 | 172.4 | -180 | 173.3 | -0.2 | 117.4 | ||||
| 60 | V | 29.5 | Very low | 31.9 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -113.7 | 152.8 | -170.1 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 61 | Q | 30.4 | Very low | 32 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | 176.2 | 160.8 | 79.5 | -159.3 | 155.6 | 4.5 | 0 | 0 | 114.9 | |||||
| 62 | R | 30.5 | Very low | 30.9 | Very low | 216 Ų | 216 | 151.2 Ų | 151.2 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -46.2 | 162.9 | -177.2 | -56.6 | 167.4 | 174.8 | 161 | -2 | 120.4 | ||||
| 63 | H | 27.7 | Very low | 31.6 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -143 | 173.4 | 133.3 | -111.1 | -85 | 0 | 0 | 0 | 113.1 | ||||
| 64 | R | 31 | Very low | 31.6 | Very low | 238 Ų | 238 | 152.6 Ų | 152.6 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -148.7 | 136.7 | -150.8 | -153.1 | -166.4 | -165.6 | -174.5 | 2.9 | 114.5 | ||||
| 65 | S | 28.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 159.9 Ų | 159.9 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -176.7 | 121 | 155.4 | 35.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 66 | R | 30.7 | Very low | 31.4 | Very low | 241 Ų | 241 | 158.9 Ų | 158.9 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | 62.1 | 136.6 | 80.6 | -89.4 | -170 | 169.5 | 179.3 | -4.2 | 115.3 | |||||
| 67 | S | 30.6 | Very low | 31.4 | Very low | 89 Ų | 89 | 153.5 Ų | 153.5 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | cis | -177.8 | 173.7 | -15.3 | 40.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 68 | N | 28.1 | Very low | 31.4 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | 88.6 | 115.6 | 168.7 | -62.5 | 9.3 | 0 | 0 | 0 | 116.7 | ||||
| 69 | S | 29.8 | Very low | 30.7 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | 79.7 | 136.7 | 60.4 | 76.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 70 | S | 29.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | cis | -160.7 | 157.5 | 13 | 56.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 71 | S | 29.5 | Very low | 31.4 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 154.1 | 169.8 | 86.8 | 52.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 72 | S | 30.8 | Very low | 32 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -126 | 163.4 | -178.7 | -43.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 73 | P | 43.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -156.4 | 164.5 | 85.6 | 39.3 | -18.9 | 0 | 0 | 0 | 118.7 | |||||
| 74 | L | 29.1 | Very low | 32.9 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 27.5 | 138.9 | 142 | -57.8 | 162.2 | 0 | 0 | 0 | 120 | ||||
| 75 | R | 29 | Very low | 33.4 | Very low | 234 Ų | 234 | 138.8 Ų | 138.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | cis | -171.8 | 148.4 | 38.8 | -142.3 | 178.8 | -166.3 | -161.1 | 4.7 | 112.1 | ||||
| 76 | S | 27.1 | Very low | 33.6 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | 40 | 113.5 | 148.6 | -174.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 77 | T | 30.2 | Very low | 33.9 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | 176.9 | 143.1 | 107.2 | 39.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 78 | S | 31.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -58.6 | 158.1 | 168.6 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 79 | P | 39.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | cis | -131.6 | 177.3 | 35.6 | 39 | -20.8 | 0 | 0 | 0 | 117.4 | ||||
| 80 | I | 38 | Very low | 35 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -57.7 | 124.2 | -174.1 | -60.7 | 160 | 0 | 0 | 0 | 112.1 | ||||
| 81 | P | 34.2 | Very low | 35.4 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -81.4 | 131.9 | 174 | 31.3 | -32.6 | 0 | 0 | 0 | 112.3 | A83 | P81-A83 PolarHBondContact O-N 3.45Š| ||
| 82 | Y | 42.3 | Very low | 36 | Very low | 214 Ų | 214 | 153.3 Ų | 153.3 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -59.9 | 114.4 | 170.8 | -116.4 | -111.5 | 0 | 0 | 0 | 110.9 | ||||
| 83 | A | 32.1 | Very low | 36.9 | Very low | 96 Ų | 96 | 151.7 Ų | 151.7 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -144.7 | 58 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P81 | P81-A83 PolarHBondContact O-N 3.45Š| ||
| 84 | S | 44.9 | Very low | 36.9 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -136.4 | 24.4 | 179.4 | 61.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 85 | W | 41.8 | Very low | 37.8 | Very low | 215 Ų | 215 | 152 Ų | 152 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | -122 | 46.3 | -172.8 | -76.8 | 71.1 | 0 | 0 | 0 | 114.4 | ||||
| 86 | R | 34.1 | Very low | 39.1 | Very low | 247 Ų | 247 | 142.8 Ų | 142.8 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -141.6 | 61.5 | 164.5 | -70.2 | -164.2 | -173.2 | -140.1 | -1 | 113.1 | ||
| 87 | K | 35.1 | Very low | 39.9 | Very low | 207 Ų | 207 | 140.9 Ų | 140.9 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -150.2 | 14.9 | 157.8 | -119.6 | 176 | -174.1 | -176.6 | 0 | 115.9 | ||
| 88 | L | 35.5 | Very low | 41.1 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | -110.3 | 87.6 | 162.9 | -72 | 171.1 | 0 | 0 | 0 | 108.4 | ||||
| 89 | R | 36.7 | Very low | 41.9 | Very low | 239 Ų | 239 | 139.6 Ų | 139.6 | 90% | 0.902 | 72% | 0.717 | S | S | * | * | trans | -92.6 | 95.4 | 154 | -71.5 | -170.2 | -176.2 | -169.9 | 2.3 | 105.9 | ||||
| 90 | L | 39.7 | Very low | 41.9 | Very low | 122 Ų | 122 | 139 Ų | 139 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | trans | -66.4 | 136.1 | 155.6 | -86 | 86.2 | 0 | 0 | 0 | 106.7 | D92 | L90-D92 PolarHBondContact O-N 3.37Š| ||
| 91 | C | 38.3 | Very low | 42.1 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 66% | 0.655 | 69% | 0.688 | S | S | * | * | trans | -79.2 | 118.7 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | T93 | C91-T93 PolarHBondContact O-N 3.1Å; C91-T93 PolarHBondContact O-OG1 3.33Å | ||
| 92 | D | 41.6 | Very low | 42.6 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | trans | -62.3 | 96.7 | 168.9 | -67.4 | -53.6 | 0 | 0 | 0 | 109.6 | L90 | L90-D92 PolarHBondContact O-N 3.37Š| ||
| 93 | T | 50.3 | Low | 42.6 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | trans | -126.2 | 147.3 | 170.3 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | C91 N95 T96 | C91-T93 PolarHBondContact O-N 3.1Å; C91-T93 PolarHBondContact O-OG1 3.33Å; T93-N95 PolarHBondContact O-N 3.37Å; T93-T96 PolarHBondContact O-N 3.44Å; T93-T96 PolarHBondContact O-OG1 3.16Å | ||
| 94 | P | 43.4 | Very low | 42.9 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -8.1 | -168.2 | 23.7 | -35 | 0 | 0 | 0 | 115.4 | ||
| 95 | N | 47.7 | Very low | 42.6 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 80% | 0.802 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 12 | -177.5 | -60.2 | -8.1 | 0 | 0 | 0 | 113.1 | T93 | T93-N95 PolarHBondContact O-N 3.37Š|
| 96 | T | 55.7 | Low | 42.4 | Very low | 42 Ų | 42 | 133.8 Ų | 133.8 | 26% | 0.258 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -77.5 | 124.8 | 177.2 | -46.8 | 0 | 0 | 0 | 0 | 110.5 | T93 K98 | T93-T96 PolarHBondContact O-N 3.44Å; T93-T96 PolarHBondContact O-OG1 3.16Å; T96-K98 PolarHBondContact O-N 3.15Å |
| 97 | P | 45.7 | Very low | 42.1 | Very low | 60 Ų | 60 | 129.3 Ų | 129.3 | 39% | 0.39 | 67% | 0.667 | S | S | . | * | trans | -66.1 | 130.4 | -176.3 | 24.7 | -33 | 0 | 0 | 0 | 111.8 | S99 L100 | P97-S99 PolarHBondContact O-N 2.98Å; P97-S99 VanDerWaalsContact O-N 3.12Å; P97-L100 HydrophobicContact CG-CD1 4.27Å; P97-L100 PolarHBondContact O-N 3.38Å | ||
| 98 | K | 53.7 | Low | 41.9 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -16.9 | -173.1 | -66.8 | 178.2 | -178.9 | 172.7 | 0 | 113.8 | T96 L100 L101 S102 | T96-K98 PolarHBondContact O-N 3.15Å; K98-L100 PolarHBondContact O-N 2.86Å; K98-L101 PolarHBondContact O-N 3.43Å; K98-S102 PolarHBondContact O-N 2.85Å; K98-S102 PolarHBondContact O-OG 3.21Å |
| 99 | S | 48.8 | Very low | 41.7 | Very low | 50 Ų | 50 | 126.2 Ų | 126.2 | 35% | 0.35 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -59.9 | -30.3 | 174.2 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | P97 S102 | P97-S99 PolarHBondContact O-N 2.98Å; P97-S99 VanDerWaalsContact O-N 3.12Å; S99-S102 PolarHBondContact O-OG 3.2Å |
| 100 | L | 39.4 | Very low | 41.5 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 58% | 0.581 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.8 | -26 | 176.1 | -77.7 | 169.7 | 0 | 0 | 0 | 113.4 | P97 K98 | P97-L100 HydrophobicContact CG-CD1 4.27Å; P97-L100 PolarHBondContact O-N 3.38Å; K98-L100 PolarHBondContact O-N 2.86Å |
| 101 | L | 44 | Very low | 41.1 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 45% | 0.45 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -92.6 | -26.9 | -179.9 | -66.9 | 173.3 | 0 | 0 | 0 | 112.9 | K98 K103 S104 | K98-L101 PolarHBondContact O-N 3.43Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 PolarHBondContact O-OG 3.41Å |
| 102 | S | 43.8 | Very low | 40.9 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.1 | -25.7 | 178.4 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | K98 S99 | K98-S102 PolarHBondContact O-N 2.85Å; K98-S102 PolarHBondContact O-OG 3.21Å; S99-S102 PolarHBondContact O-OG 3.2Å |
| 103 | K | 41.7 | Very low | 40.4 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -4.5 | -179.9 | -68.4 | -178.4 | 179.1 | 175.9 | 0 | 114.5 | L101 | L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.42Å |
| 104 | S | 39.6 | Very low | 39.2 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 52% | 0.517 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -109.6 | -2 | -177.9 | 56 | 0 | 0 | 0 | 0 | 115.1 | L101 | L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 PolarHBondContact O-OG 3.41Å |
| 105 | F | 38.8 | Very low | 38.7 | Very low | 172 Ų | 172 | 131 Ų | 131 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -125.6 | 65.9 | 179 | -74.9 | -77.5 | 0 | 0 | 0 | 113.7 | ||||
| 106 | Q | 36.8 | Very low | 37.7 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | trans | -134 | 82.8 | 156.8 | -75 | -165.4 | -13.4 | 0 | 0 | 111.4 | ||||
| 107 | L | 28.5 | Very low | 36.6 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 80% | 0.801 | 72% | 0.715 | S | S | * | * | trans | -128.1 | 116.6 | 153.5 | -93.3 | 96.8 | 0 | 0 | 0 | 109.8 | ||||
| 108 | F | 31.2 | Very low | 35.8 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | 38.8 | 110.1 | 156.2 | -53.8 | -82.7 | 0 | 0 | 0 | 119.9 | ||||
| 109 | S | 29.8 | Very low | 34.6 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -113 | 121.1 | 144.6 | 54.3 | 0 | 0 | 0 | 0 | 110 | I111 | S109-I111 PolarHBondContact O-N 3.43Š| ||
| 110 | N | 33.4 | Very low | 33.6 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -73.1 | 114.2 | 173.6 | -81.9 | -50.8 | 0 | 0 | 0 | 109.7 | ||||
| 111 | I | 32.1 | Very low | 33 | Very low | 139 Ų | 139 | 155.5 Ų | 155.5 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -129.3 | 113.7 | 165.3 | -55.6 | -176.9 | 0 | 0 | 0 | 108.9 | S109 V113 | S109-I111 PolarHBondContact O-N 3.43Å; I111-V113 HydrophobicContact CG2-CG2 4.01Å | ||
| 112 | K | 33.4 | Very low | 32.2 | Very low | 212 Ų | 212 | 161 Ų | 161 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -71.4 | 125.3 | 168 | -68.8 | 176.1 | 176.6 | 177.2 | 0 | 108.7 | ||||
| 113 | V | 29.9 | Very low | 31.4 | Very low | 131 Ų | 131 | 162.7 Ų | 162.7 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -130.6 | 144.3 | 162.1 | -174.9 | 0 | 0 | 0 | 0 | 109 | I111 | I111-V113 HydrophobicContact CG2-CG2 4.01Š| ||
| 114 | S | 26.1 | Very low | 30.8 | Very low | 99 Ų | 99 | 159.7 Ų | 159.7 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -75.1 | 149.6 | -163.8 | 44.4 | 0 | 0 | 0 | 0 | 115.3 | H116 | S114-H116 PolarHBondContact O-N 2.96Š| ||
| 115 | H | 32.8 | Very low | 30.2 | Very low | 185 Ų | 185 | 160.7 Ų | 160.7 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -59.3 | 119.1 | 161.3 | -88.6 | -91.4 | 0 | 0 | 0 | 111.2 | ||||
| 116 | H | 27.7 | Very low | 29.8 | Very low | 183 Ų | 183 | 157.2 Ų | 157.2 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | trans | -135.8 | 118.9 | 150.5 | -91.1 | -0.3 | 0 | 0 | 0 | 110 | S114 | S114-H116 PolarHBondContact O-N 2.96Š| ||
| 117 | Q | 32.1 | Very low | 29.5 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -69.9 | 133.3 | 173.4 | -68 | 175.6 | -41.8 | 0 | 0 | 109.9 | ||||
| 118 | R | 29.5 | Very low | 29.5 | Very low | 241 Ų | 241 | 151.5 Ų | 151.5 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -130.1 | 110.9 | 153.6 | -80.4 | -169.3 | 171.6 | 177.8 | -1.8 | 109.7 | ||||
| 119 | S | 27.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -63.8 | 130.8 | 168.3 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 120 | L | 27.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 151.8 Ų | 151.8 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | trans | -117.7 | 117.7 | 162.9 | -71.4 | 177 | 0 | 0 | 0 | 108 | ||||
| 121 | R | 26 | Very low | 29.5 | Very low | 233 Ų | 233 | 152.7 Ų | 152.7 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 130.4 | 174.8 | -62.9 | 174.9 | 178 | 174.9 | -2.4 | 108.4 | ||
| 122 | F | 27.6 | Very low | 29.4 | Very low | 201 Ų | 201 | 150.5 Ų | 150.5 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 126 | 163 | -83.5 | -84.4 | 0 | 0 | 0 | 109.5 | ||
| 123 | S | 27 | Very low | 29.4 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79 | 137 | 175.9 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | A125 | S123-A125 PolarHBondContact O-N 3.36Š|
| 124 | S | 28.7 | Very low | 29.7 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124.5 | 171.7 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 125 | A | 28.9 | Very low | 30.4 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -121.2 | 140.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S123 | S123-A125 PolarHBondContact O-N 3.36Š| ||
| 126 | A | 29.6 | Very low | 30.8 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 156.7 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 127 | A | 30.7 | Very low | 31.9 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -60.3 | 135.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 128 | C | 27.1 | Very low | 32.7 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -125.1 | 107.9 | 166 | -150 | 0 | 0 | 0 | 0 | 108.2 | V130 | C128-V130 PolarHBondContact O-N 3.45Š| ||
| 129 | L | 33.6 | Very low | 33.5 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 107.2 | 177.9 | -101.4 | 137.3 | 0 | 0 | 0 | 109.7 | ||||
| 130 | V | 31.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -117.1 | 116.5 | 164.7 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | C128 A132 | C128-V130 PolarHBondContact O-N 3.45Å; V130-A132 PolarHBondContact O-N 2.95Å | ||
| 131 | Q | 30.7 | Very low | 36.1 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -64 | 126 | 177.9 | -71.9 | 173.6 | -39 | 0 | 0 | 110.2 | ||
| 132 | A | 29.8 | Very low | 37.6 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 141.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | V130 | V130-A132 PolarHBondContact O-N 2.95Š|
| 133 | P | 33.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 146.9 | -177.7 | 28.9 | -34.9 | 0 | 0 | 0 | 111.8 | V135 | P133-V135 PolarHBondContact O-N 3.2Š|
| 134 | S | 37 | Very low | 39.6 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 122 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 135 | V | 40.5 | Very low | 40.7 | Very low | 125 Ų | 125 | 113.6 Ų | 113.6 | 76% | 0.758 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.7 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | P133 V137 | P133-V135 PolarHBondContact O-N 3.2Å; V135-V137 VanDerWaalsContact C-N 3.35Å; V135-V137 PolarHBondContact O-N 2.88Å |
| 136 | N | 41.7 | Very low | 41.6 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 84% | 0.84 | 68% | 0.681 | S | S | * | * | trans | -73.1 | 85.2 | 177.4 | -171.2 | 18.4 | 0 | 0 | 0 | 110.7 | ||||
| 137 | V | 50.1 | Low | 42.2 | Very low | 64 Ų | 64 | 118.1 Ų | 118.1 | 39% | 0.388 | 67% | 0.671 | S | S | . | * | trans | -75.2 | 124.5 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | V135 | V135-V137 VanDerWaalsContact C-N 3.35Å; V135-V137 PolarHBondContact O-N 2.88Å | ||
| 138 | N | 48.6 | Very low | 42.8 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 45% | 0.449 | 66% | 0.658 | S | S | . | * | trans | -53.7 | 121.2 | 173.7 | 173.3 | 1.7 | 0 | 0 | 0 | 109.9 | F140 T141 | N138-F140 PolarHBondContact O-N 3.09Å; N138-F140 PolarHBondContact OD1-N 2.95Å; N138-T141 WeakPolarHBondContact O-CB 3.36Å; N138-T141 PolarHBondContact O-N 3.39Å; N138-T141 PolarHBondContact O-OG1 3.45Å | ||
| 139 | P | 46.4 | Very low | 43.6 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 75% | 0.747 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -12.9 | -174.7 | 25.2 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 140 | F | 47.8 | Very low | 44.1 | Very low | 181 Ų | 181 | 113.6 Ų | 113.6 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 7.1 | 176.3 | -57.1 | -73.2 | 0 | 0 | 0 | 114.1 | N138 P142 | N138-F140 PolarHBondContact O-N 3.09Å; N138-F140 PolarHBondContact OD1-N 2.95Å; F140-P142 WeakPolarHBondContact O-CD 3.46Å |
| 141 | T | 62.9 | Low | 44.7 | Very low | 54 Ų | 54 | 112 Ų | 112 | 33% | 0.331 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -68.9 | 120.3 | 176.1 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | N138 E143 V145 | N138-T141 WeakPolarHBondContact O-CB 3.36Å; N138-T141 PolarHBondContact O-N 3.39Å; N138-T141 PolarHBondContact O-OG1 3.45Å; T141-E143 PolarHBondContact O-N 2.91Å; T141-V145 HydrophobicContact CG2-CB 4.34Å; T141-V145 HydrophobicContact CG2-CG1 4.48Å |
| 142 | P | 57.5 | Low | 45 | Very low | 67 Ų | 67 | 109.7 Ų | 109.7 | 44% | 0.435 | 60% | 0.603 | S | S | . | * | trans | -60.6 | 138 | 179.9 | -24 | 34.5 | 0 | 0 | 0 | 112.3 | F140 T144 V145 R146 | F140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-T144 PolarHBondContact O-N 2.91Å; P142-V145 HydrophobicContact CB-CG2 4.47Å; P142-V145 PolarHBondContact O-N 3.19Å; P142-R146 PolarHBondContact O-N 3.38Å | ||
| 143 | E | 45.8 | Very low | 45.2 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 60% | 0.598 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55 | -31.4 | -178.2 | -78.6 | -159.7 | -169.8 | 0 | 0 | 113.7 | T141 V145 R146 R147 | T141-E143 PolarHBondContact O-N 2.91Å; E143-V145 PolarHBondContact O-N 3.07Å; E143-R146 PolarHBondContact O-N 3.44Å; E143-R147 PolarHBondContact O-N 3.13Å; E143-R147 VanDerWaalsContact O-N 3.07Å; E143-R147 IonicContact OE2-CZ 2.96Å; E143-R147 IonicContact OE2-NE 2.74Å; E143-R147 IonicContact OE2-NH2 3.3Å; E143-R147 PolarHBondContact OE2-NH2 3.02Å |
| 144 | T | 49.3 | Very low | 45.2 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61 | -31 | 178.3 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | P142 | P142-T144 PolarHBondContact O-N 2.91Å |
| 145 | V | 52.5 | Low | 44.9 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 49% | 0.485 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -80.6 | -43.5 | 176 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | T141 P142 E143 R147 K148 S149 | T141-V145 HydrophobicContact CG2-CB 4.34Å; T141-V145 HydrophobicContact CG2-CG1 4.48Å; P142-V145 HydrophobicContact CB-CG2 4.47Å; P142-V145 PolarHBondContact O-N 3.19Å; E143-V145 PolarHBondContact O-N 3.07Å; V145-R147 PolarHBondContact O-N 3.39Å; V145-K148 WeakPolarHBondContact O-CB 3.48Å; V145-K148 PolarHBondContact O-N 3.33Å; V145-K148 VanDerWaalsContact O-N 3.07Å; V145-S149 PolarHBondContact O-N 2.99Å; V145-S149 VanDerWaalsContact O-N 3.15Å; V145-S149 PolarHBondContact O-OG 2.95Å |
| 146 | R | 48.1 | Very low | 44.5 | Very low | 130 Ų | 130 | 116.4 Ų | 116.4 | 49% | 0.491 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.4 | -41.7 | -178.7 | -170.3 | 173.2 | 175 | 164.3 | -0.1 | 112.8 | P142 E143 S149 E150 | P142-R146 PolarHBondContact O-N 3.38Å; E143-R146 PolarHBondContact O-N 3.44Å; R146-S149 PolarHBondContact O-N 2.97Å; R146-S149 PolarHBondContact O-OG 3.43Å; R146-E150 PolarHBondContact O-N 2.9Å |
| 147 | R | 42.8 | Very low | 44.2 | Very low | 160 Ų | 160 | 117.5 Ų | 117.5 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.2 | -33.9 | 175.2 | -64.4 | -177.3 | -158.9 | -176.9 | 6.5 | 112.9 | E143 V145 E150 V151 | E143-R147 PolarHBondContact O-N 3.13Å; E143-R147 VanDerWaalsContact O-N 3.07Å; E143-R147 IonicContact OE2-CZ 2.96Å; E143-R147 IonicContact OE2-NE 2.74Å; E143-R147 IonicContact OE2-NH2 3.3Å; E143-R147 PolarHBondContact OE2-NH2 3.02Å; V145-R147 PolarHBondContact O-N 3.39Å; R147-E150 PolarHBondContact O-N 3.4Å; R147-V151 WeakPolarHBondContact O-CG2 3.42Å; R147-V151 PolarHBondContact O-N 2.97Å; R147-V151 VanDerWaalsContact O-N 3.16Å |
| 148 | K | 42.3 | Very low | 43.4 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 59% | 0.591 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | 175.8 | -79.4 | -175 | 174.5 | -175 | 0 | 111.9 | V145 V151 L152 | V145-K148 WeakPolarHBondContact O-CB 3.48Å; V145-K148 PolarHBondContact O-N 3.33Å; V145-K148 VanDerWaalsContact O-N 3.07Å; K148-V151 PolarHBondContact O-N 2.76Å; K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.12Å |
| 149 | S | 44.6 | Very low | 42.5 | Very low | 54 Ų | 54 | 129.2 Ų | 129.2 | 38% | 0.378 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62 | -45.4 | 174 | 38.1 | 0 | 0 | 0 | 0 | 112.5 | V145 R146 V151 L152 W153 | V145-S149 PolarHBondContact O-N 2.99Å; V145-S149 VanDerWaalsContact O-N 3.15Å; V145-S149 PolarHBondContact O-OG 2.95Å; R146-S149 PolarHBondContact O-N 2.97Å; R146-S149 PolarHBondContact O-OG 3.43Å; S149-V151 VanDerWaalsContact C-N 3.32Å; S149-V151 PolarHBondContact O-N 2.91Å; S149-L152 PolarHBondContact O-N 2.75Å; S149-W153 PolarHBondContact O-N 2.96Å; S149-W153 VanDerWaalsContact O-N 3.12Å |
| 150 | E | 42.7 | Very low | 41.7 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.1 | -32.2 | -179.4 | -72.1 | 172.8 | 178.2 | 0 | 0 | 113.3 | R146 R147 R154 | R146-E150 PolarHBondContact O-N 2.9Å; R147-E150 PolarHBondContact O-N 3.4Å; E150-R154 PolarHBondContact O-N 2.9Å |
| 151 | V | 44.6 | Very low | 40.9 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 58% | 0.576 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.1 | -38.6 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | R147 K148 S149 R154 S155 | R147-V151 WeakPolarHBondContact O-CG2 3.42Å; R147-V151 PolarHBondContact O-N 2.97Å; R147-V151 VanDerWaalsContact O-N 3.16Å; K148-V151 PolarHBondContact O-N 2.76Å; S149-V151 VanDerWaalsContact C-N 3.32Å; S149-V151 PolarHBondContact O-N 2.91Å; V151-R154 PolarHBondContact O-N 2.67Å; V151-S155 PolarHBondContact O-N 3.47Å; V151-S155 PolarHBondContact O-OG 2.98Å |
| 152 | L | 37.7 | Very low | 39.3 | Very low | 133 Ų | 133 | 130 Ų | 130 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -64.2 | -41.7 | 177.5 | -168.6 | 67.6 | 0 | 0 | 0 | 111.3 | K148 S149 R154 S155 | K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.12Å; S149-L152 PolarHBondContact O-N 2.75Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å; L152-S155 PolarHBondContact O-N 3.27Å; L152-S155 VanDerWaalsContact O-N 3.14Å |
| 153 | W | 33.7 | Very low | 37.9 | Very low | 218 Ų | 218 | 138 Ų | 138 | 83% | 0.826 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66 | -26.5 | 175.7 | -68.5 | 119.6 | 0 | 0 | 0 | 114.1 | S149 | S149-W153 PolarHBondContact O-N 2.96Å; S149-W153 VanDerWaalsContact O-N 3.12Å |
| 154 | R | 32.7 | Very low | 37.2 | Very low | 221 Ų | 221 | 136.3 Ų | 136.3 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -81.6 | -10.6 | 173.4 | -74.1 | -171.9 | -175.5 | -136.4 | 3.7 | 114.4 | E150 V151 L152 G156 | E150-R154 PolarHBondContact O-N 2.9Å; V151-R154 PolarHBondContact O-N 2.67Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å; R154-G156 VanDerWaalsContact C-N 3.35Å |
| 155 | S | 31.2 | Very low | 36.4 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 8.1 | -176 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | V151 L152 | V151-S155 PolarHBondContact O-N 3.47Å; V151-S155 PolarHBondContact O-OG 2.98Å; L152-S155 PolarHBondContact O-N 3.27Å; L152-S155 VanDerWaalsContact O-N 3.14Å |
| 156 | G | 32.8 | Very low | 35.4 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -4.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | R154 | R154-G156 VanDerWaalsContact C-N 3.35Š|
| 157 | E | 35 | Very low | 34.6 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -132.8 | 67.6 | -175.9 | -67.7 | -170.4 | 149.4 | 0 | 0 | 112 | ||
| 158 | E | 33 | Very low | 34.2 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 91% | 0.907 | 73% | 0.732 | S | S | * | * | trans | -171.2 | 78.8 | 157.2 | -112.9 | 170.9 | -146.4 | 0 | 0 | 113 | ||||
| 159 | E | 29.1 | Very low | 33.7 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | trans | -147 | 94.7 | 154.4 | -90.2 | -145.3 | 157.6 | 0 | 0 | 111.5 | ||||
| 160 | A | 29.6 | Very low | 33 | Very low | 86 Ų | 86 | 147.5 Ų | 147.5 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -169.9 | 105 | 150 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 161 | H | 31.8 | Very low | 32.6 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | 150.7 | 140.3 | 135.5 | -85.6 | 62.1 | 0 | 0 | 0 | 112.9 | ||||
| 162 | G | 29.3 | Very low | 31.9 | Very low | 82 Ų | 82 | 149.9 Ų | 149.9 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 104 | 77.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 163 | Y | 28.4 | Very low | 31.5 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -101.2 | 118.8 | 158.6 | -147.5 | -89.3 | 0 | 0 | 0 | 109.3 | ||||
| 164 | S | 31.2 | Very low | 31.5 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | 160.8 | 143.5 | 133.8 | -167.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 165 | N | 31.2 | Very low | 31.9 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | trans | 78.9 | 104 | 155.1 | -76.6 | -39.9 | 0 | 0 | 0 | 122.1 | ||||
| 166 | R | 32.4 | Very low | 32.1 | Very low | 204 Ų | 204 | 147.8 Ų | 147.8 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | 115.7 | 132.6 | 105 | -85.1 | 177.8 | -152 | -146.1 | 7.9 | 120.5 | |||||
| 167 | L | 30.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 152 Ų | 152 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 56.6 | 121.2 | 157.2 | -79.6 | 73.3 | 0 | 0 | 0 | 116.9 | ||||
| 168 | K | 35.1 | Very low | 32.3 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | 70.4 | 136 | 52.4 | -76.7 | -162.6 | 171.3 | -174.3 | 0 | 115.6 | |||||
| 169 | H | 31.6 | Very low | 32.6 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 82.1 | 142.5 | 174.4 | -60.1 | -73.8 | 0 | 0 | 0 | 115.9 | ||||
| 170 | S | 30.3 | Very low | 33.2 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | -175.7 | 143 | -19.9 | -116.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 171 | L | 32.6 | Very low | 33.7 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | 65.8 | 156.5 | 151 | -60.4 | 167.6 | 0 | 0 | 0 | 117 | ||||
| 172 | A | 30.1 | Very low | 33.9 | Very low | 84 Ų | 84 | 146.3 Ų | 146.3 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | cis | -161 | 169.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 173 | S | 30.8 | Very low | 34.5 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 64 | 153.4 | 161 | -109.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 174 | S | 32.5 | Very low | 35.2 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | cis | -145 | 166.6 | 4.5 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 175 | E | 40.3 | Very low | 35.9 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -79.2 | 153 | 175.9 | -60.4 | 167.3 | 160.1 | 0 | 0 | 111.8 | ||||
| 176 | E | 35.4 | Very low | 36.4 | Very low | 202 Ų | 202 | 152.6 Ų | 152.6 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | -175.9 | 155 | 125.4 | -101 | 171.6 | -153.4 | 0 | 0 | 111.3 | |||||
| 177 | D | 35 | Very low | 36.7 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -74.8 | 153.6 | -169.5 | -78.2 | -51.8 | 0 | 0 | 0 | 114.8 | ||||
| 178 | D | 37.6 | Very low | 37.3 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -152.9 | 112.5 | 137.7 | -121.9 | -23.2 | 0 | 0 | 0 | 111.2 | A180 | D178-A180 PolarHBondContact O-N 3.33Š| ||
| 179 | E | 39.6 | Very low | 37.8 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 86.3 | -177.8 | -102.3 | -74.6 | 173 | 0 | 0 | 111.5 | ||||
| 180 | A | 41.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 148.3 Ų | 148.3 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | trans | -91.7 | 110.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D178 L182 | D178-A180 PolarHBondContact O-N 3.33Å; A180-L182 VanDerWaalsContact C-N 3.27Å; A180-L182 PolarHBondContact O-N 2.92Å | ||
| 181 | F | 39.7 | Very low | 39.2 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -54.7 | 82.8 | 171.8 | -101.3 | -106 | 0 | 0 | 0 | 112 | ||||
| 182 | L | 37.8 | Very low | 40.2 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.6 | 166.8 | -66.6 | 179 | 0 | 0 | 0 | 107.4 | A180 | A180-L182 VanDerWaalsContact C-N 3.27Å; A180-L182 PolarHBondContact O-N 2.92Å |
| 183 | P | 40.3 | Very low | 41.6 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 135.8 | 173.9 | 24.6 | -33.2 | 0 | 0 | 0 | 107.6 | K185 | P183-K185 PolarHBondContact O-N 3.42Š|
| 184 | P | 44.5 | Very low | 43.7 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 116.6 | -170.7 | 21.2 | -33.1 | 0 | 0 | 0 | 107.1 | R186 | P184-R186 PolarHBondContact O-N 3.36Š|
| 185 | K | 44.4 | Very low | 46.4 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -39.5 | 106.3 | -173.2 | -76.4 | 174.6 | 179.5 | 170.4 | 0 | 105.8 | P183 R187 | P183-K185 PolarHBondContact O-N 3.42Å; K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 3.06Å | ||
| 186 | R | 42.3 | Very low | 48.9 | Very low | 242 Ų | 242 | 142.1 Ų | 142.1 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | trans | -51.6 | 114.3 | 175.6 | -77.5 | -172.8 | -178.6 | -168 | 1.2 | 101.7 | P184 A188 | P184-R186 PolarHBondContact O-N 3.36Å; R186-A188 PolarHBondContact O-N 2.95Å | ||
| 187 | R | 39.9 | Very low | 51.7 | Low | 233 Ų | 233 | 133.1 Ų | 133.1 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -49.1 | 109.5 | 166.5 | -93 | 179.2 | 163.4 | 170.2 | -5.7 | 101 | K185 V189 | K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 3.06Å; R187-V189 PolarHBondContact O-N 3.02Å | ||
| 188 | A | 42.1 | Very low | 54.5 | Low | 89 Ų | 89 | 131.7 Ų | 131.7 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | trans | -55.1 | 106.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 100 | R186 Q190 | R186-A188 PolarHBondContact O-N 2.95Å; A188-Q190 PolarHBondContact O-N 3.42Å | ||
| 189 | V | 45 | Very low | 57.2 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 65% | 0.648 | S | S | * | * | trans | -52 | 109.3 | 171.4 | 174.3 | 0 | 0 | 0 | 0 | 99.7 | R187 A191 | R187-V189 PolarHBondContact O-N 3.02Å; V189-A191 VanDerWaalsContact C-N 3.28Å; V189-A191 PolarHBondContact O-N 2.91Å | ||
| 190 | Q | 43.3 | Very low | 59.9 | Low | 166 Ų | 166 | 121 Ų | 121 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | trans | -47.9 | 115 | 173.4 | -83.9 | 172.9 | -47.3 | 0 | 0 | 101.1 | A188 F192 | A188-Q190 PolarHBondContact O-N 3.42Å; Q190-F192 WeakPolarHBondContact O-CD2 3.37Å; Q190-F192 PolarHBondContact O-N 2.77Å | ||
| 191 | A | 48.3 | Very low | 62.5 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 72% | 0.719 | 59% | 0.592 | S | S | * | * | trans | -62.5 | 95.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 101.4 | V189 M193 | V189-A191 VanDerWaalsContact C-N 3.28Å; V189-A191 PolarHBondContact O-N 2.91Å; A191-M193 PolarHBondContact O-N 3.39Å | ||
| 192 | F | 54.4 | Low | 65.3 | Low | 165 Ų | 165 | 111.9 Ų | 111.9 | 72% | 0.724 | 57% | 0.57 | S | S | * | * | trans | -45.4 | 125.4 | 173.9 | -88.2 | -94.9 | 0 | 0 | 0 | 102 | Q190 L194 | Q190-F192 WeakPolarHBondContact O-CD2 3.37Å; Q190-F192 PolarHBondContact O-N 2.77Å; F192-L194 WeakPolarHBondContact O-CG 2.87Å; F192-L194 PolarHBondContact O-N 2.99Å | ||
| 193 | M | 60.3 | Low | 68.1 | Low | 158 Ų | 158 | 109.6 Ų | 109.6 | 78% | 0.778 | 56% | 0.556 | S | S | * | * | trans | -71.5 | 77.2 | -171.8 | -64 | -158.8 | -57 | 0 | 0 | 106.7 | A191 S195 | A191-M193 PolarHBondContact O-N 3.39Å; M193-S195 PolarHBondContact O-N 2.76Å; M193-S195 VanDerWaalsContact O-N 3.13Å | ||
| 194 | L | 73.7 | Confident | 70.8 | Confident | 126 Ų | 126 | 108.7 Ų | 108.7 | 66% | 0.66 | 55% | 0.545 | S | S | * | . | trans | -60.6 | 117.3 | 177.9 | -69 | 174 | 0 | 0 | 0 | 103.8 | F192 R196 | F192-L194 WeakPolarHBondContact O-CG 2.87Å; F192-L194 PolarHBondContact O-N 2.99Å; L194-R196 PolarHBondContact O-N 2.79Å | ||
| 195 | S | 89.4 | Confident | 73.3 | Confident | 12 Ų | 12 | 107.5 Ų | 107.5 | 8% | 0.084 | 53% | 0.529 | C | S | . | . | trans | -49.9 | 140.2 | 175.8 | 139.6 | 0 | 0 | 0 | 0 | 108.2 | M193 Y197 E198 S199 E270 | M193-S195 PolarHBondContact O-N 2.76Å; M193-S195 VanDerWaalsContact O-N 3.13Å; S195-Y197 PolarHBondContact O-N 3.28Å; S195-Y197 VanDerWaalsContact OG-CB 3.3Å; S195-Y197 WeakPolarHBondContact OG-CB 3.45Å; S195-Y197 PolarHBondContact OG-N 2.89Å; S195-Y197 VanDerWaalsContact OG-N 3.16Å; S195-E198 PolarHBondContact O-N 2.85Å; S195-E198 PolarHBondContact OG-N 2.82Å; S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.37Å; S195-S199 PolarHBondContact O-OG 3.49Å; S195-E270 WeakPolarHBondContact CB-OE1 3.27Å; S195-E270 VanDerWaalsContact OG-CD 3.25Å; S195-E270 PolarHBondContact OG-OE1 3.45Å; S195-E270 PolarHBondContact OG-OE2 3.12Å | ||
| 196 | R | 93.2 | Very high | 75.7 | Confident | 76 Ų | 76 | 101.4 Ų | 101.4 | 29% | 0.287 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 177 | -177.7 | -174.7 | 173.7 | -136.3 | -21.8 | 108.6 | L194 S199 E200 S266 E270 | L194-R196 PolarHBondContact O-N 2.79Å; R196-S199 PolarHBondContact O-OG 2.95Å; R196-E200 HydrophobicContact CG-CG 4.18Å; R196-E200 VanDerWaalsContact CG-OE1 3.25Å; R196-E200 WeakPolarHBondContact CG-OE1 3.38Å; R196-E200 IonicContact CZ-OE1 3.76Å; R196-E200 IonicContact CZ-OE2 2.66Å; R196-E200 VanDerWaalsContact CZ-OE2 3.3Å; R196-E200 IonicContact NE-OE1 3.37Å; R196-E200 PolarHBondContact NE-OE1 2.9Å; R196-E200 IonicContact NE-OE2 2.68Å; R196-E200 PolarHBondContact NE-OE2 3.27Å; R196-E200 VanDerWaalsContact NE-OE2 3.08Å; R196-E200 IonicContact NH2-OE1 3.43Å; R196-E200 IonicContact NH2-OE2 2.78Å; R196-E200 PolarHBondContact NH2-OE2 2.98Å; R196-E200 VanDerWaalsContact O-CB 3.29Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 2.92Å; R196-S266 PolarHBondContact NH1-OG 3.35Å; R196-S266 VanDerWaalsContact NH1-OG 3.14Å; R196-E270 WeakPolarHBondContact CB-OE2 3.4Å; R196-E270 PolarHBondContact N-OE2 2.88Å |
| 197 | Y | 94.7 | Very high | 78.2 | Confident | 12 Ų | 12 | 93.7 Ų | 93.7 | 5% | 0.047 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -56.4 | -52.3 | 171.6 | -177.8 | -109.3 | 0 | 0 | 0 | 112.9 | S195 S199 F201 Q203 Y216 C218 V229 W268 E270 L275 | S195-Y197 PolarHBondContact O-N 3.28Å; S195-Y197 VanDerWaalsContact OG-CB 3.3Å; S195-Y197 WeakPolarHBondContact OG-CB 3.45Å; S195-Y197 PolarHBondContact OG-N 2.89Å; S195-Y197 VanDerWaalsContact OG-N 3.16Å; Y197-S199 VanDerWaalsContact C-N 3.35Å; Y197-S199 PolarHBondContact O-N 3.31Å; Y197-F201 HydrophobicContact CD2-CB 4.35Å; Y197-F201 HydrophobicContact CD2-CD2 4.26Å; Y197-F201 HydrophobicContact CD2-CG 4.44Å; Y197-F201 HydrophobicContact CE2-CB 4.49Å; Y197-F201 WeakPolarHBondContact O-CA 3.46Å; Y197-F201 VanDerWaalsContact O-CB 3.27Å; Y197-F201 WeakPolarHBondContact O-CB 3.43Å; Y197-F201 PolarHBondContact O-N 2.72Å; Y197-Q203 PolarHBondContact OH-OE1 2.93Å; Y197-Y216 WeakPolarHBondContact OH-CB 3.39Å; Y197-C218 PolarHBondContact OH-SG 3.21Å; Y197-V229 HydrophobicContact CD2-CG1 3.93Å; Y197-V229 HydrophobicContact CE2-CB 3.9Å; Y197-V229 HydrophobicContact CE2-CG1 3.69Å; Y197-V229 HydrophobicContact CE2-CG2 4.24Å; Y197-W268 HydrophobicContact CD2-CZ2 4.37Å; Y197-E270 VanDerWaalsContact CB-OE1 3.23Å; Y197-E270 WeakPolarHBondContact CB-OE1 3.19Å; Y197-E270 PolarHBondContact N-OE2 2.74Å; Y197-L275 HydrophobicContact CD2-CD2 3.82Å; Y197-L275 HydrophobicContact CG-CD2 3.84Å |
| 198 | E | 93.4 | Very high | 80.5 | Confident | 124 Ų | 124 | 84 Ų | 84 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.4 | -34.6 | -177.8 | -68.5 | -178.3 | 164.5 | 0 | 0 | 113.5 | S195 | S195-E198 PolarHBondContact O-N 2.85Å; S195-E198 PolarHBondContact OG-N 2.82Å |
| 199 | S | 93.7 | Very high | 82.8 | Confident | 61 Ų | 61 | 84.1 Ų | 84.1 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -84 | -34.6 | -177.9 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | S195 R196 Y197 R221 | S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.37Å; S195-S199 PolarHBondContact O-OG 3.49Å; R196-S199 PolarHBondContact O-OG 2.95Å; Y197-S199 VanDerWaalsContact C-N 3.35Å; Y197-S199 PolarHBondContact O-N 3.31Å; S199-R221 VanDerWaalsContact O-CD 3.32Å; S199-R221 WeakPolarHBondContact O-CD 3.32Å |
| 200 | E | 95.4 | Very high | 84.5 | Confident | 40 Ų | 40 | 80.2 Ų | 80.2 | 19% | 0.187 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -91.4 | -23.8 | 177.3 | -68.9 | -179.9 | -160.5 | 0 | 0 | 113 | R196 R221 | R196-E200 HydrophobicContact CG-CG 4.18Å; R196-E200 VanDerWaalsContact CG-OE1 3.25Å; R196-E200 WeakPolarHBondContact CG-OE1 3.38Å; R196-E200 IonicContact CZ-OE1 3.76Å; R196-E200 IonicContact CZ-OE2 2.66Å; R196-E200 VanDerWaalsContact CZ-OE2 3.3Å; R196-E200 IonicContact NE-OE1 3.37Å; R196-E200 PolarHBondContact NE-OE1 2.9Å; R196-E200 IonicContact NE-OE2 2.68Å; R196-E200 PolarHBondContact NE-OE2 3.27Å; R196-E200 VanDerWaalsContact NE-OE2 3.08Å; R196-E200 IonicContact NH2-OE1 3.43Å; R196-E200 IonicContact NH2-OE2 2.78Å; R196-E200 PolarHBondContact NH2-OE2 2.98Å; R196-E200 VanDerWaalsContact O-CB 3.29Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 2.92Å; E200-R221 WeakPolarHBondContact O-CB 3.45Å; E200-R221 WeakPolarHBondContact O-CG 3.48Å; E200-R221 PolarHBondContact O-N 3.02Å |
| 201 | F | 97.3 | Very high | 86 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 1% | 0.013 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148.1 | -172.4 | -58.8 | -95.4 | 0 | 0 | 0 | 113.5 | Y197 C218 V219 N220 R221 Y227 V229 W268 Q277 | Y197-F201 HydrophobicContact CD2-CB 4.35Å; Y197-F201 HydrophobicContact CD2-CD2 4.26Å; Y197-F201 HydrophobicContact CD2-CG 4.44Å; Y197-F201 HydrophobicContact CE2-CB 4.49Å; Y197-F201 WeakPolarHBondContact O-CA 3.46Å; Y197-F201 VanDerWaalsContact O-CB 3.27Å; Y197-F201 WeakPolarHBondContact O-CB 3.43Å; Y197-F201 PolarHBondContact O-N 2.72Å; F201-C218 HydrophobicContact CB-CB 4.12Å; F201-C218 HydrophobicContact CD1-CB 3.89Å; F201-C218 HydrophobicContact CG-CB 4.38Å; F201-V219 CarbonylContact C-O 3.58Å; F201-V219 WeakPolarHBondContact CA-O 3.22Å; F201-N220 HydrophobicContact CD1-CB 4.03Å; F201-N220 HydrophobicContact CE1-CB 3.87Å; F201-R221 VanDerWaalsContact C-NE 3.31Å; F201-R221 PolarHBondContact O-NE 3.15Å; F201-R221 PolarHBondContact O-NH2 3.34Å; F201-Y227 HydrophobicContact CE1-CD2 4.15Å; F201-Y227 HydrophobicContact CE1-CG 4.39Å; F201-V229 HydrophobicContact CD1-CG2 4.28Å; F201-V229 HydrophobicContact CE1-CG2 4.22Å; F201-W268 HydrophobicContact CD2-CH2 4.34Å; F201-W268 AromaticContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CZ2 4.09Å; F201-W268 HydrophobicContact CE2-CZ3 4.44Å; F201-W268 HydrophobicContact CZ-CH2 4Å; F201-Q277 HydrophobicContact CE1-CG 4.23Å; F201-Q277 HydrophobicContact CZ-CG 4.17Å |
| 202 | L | 97.3 | Very high | 87.4 | Confident | 80 Ų | 80 | 78.7 Ų | 78.7 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 106.6 | 162.8 | 176.3 | 64.6 | 0 | 0 | 0 | 107.8 | L204 C218 V219 | L202-L204 HydrophobicContact CD2-CD2 4.18Å; L202-L204 HydrophobicContact CG-CD2 4.17Å; L202-L204 PolarHBondContact O-N 3.14Å; L202-C218 CarbonylContact O-C 3.47Å; L202-C218 VanDerWaalsContact O-CA 3.31Å; L202-C218 WeakPolarHBondContact O-CA 3.41Å; L202-V219 HydrophobicContact CB-CB 4.43Å; L202-V219 PolarHBondContact N-O 2.83Å; L202-V219 PolarHBondContact O-N 3Å |
| 203 | Q | 97.1 | Very high | 89 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 127.8 | 171.7 | -177.4 | 177.6 | -59.5 | 0 | 0 | 109.9 | Y197 Y216 | Y197-Q203 PolarHBondContact OH-OE1 2.93Å; Q203-Y216 VanDerWaalsContact CD-CD1 3.41Å; Q203-Y216 HydrophobicContact CG-CD1 3.94Å; Q203-Y216 HydrophobicContact CG-CG 4.21Å |
| 204 | L | 97.2 | Very high | 90.5 | Very high | 87 Ų | 87 | 64 Ų | 64 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -61.2 | 176.7 | -58.9 | -174.8 | 0 | 0 | 0 | 111.4 | L202 K217 V219 L226 | L202-L204 HydrophobicContact CD2-CD2 4.18Å; L202-L204 HydrophobicContact CG-CD2 4.17Å; L202-L204 PolarHBondContact O-N 3.14Å; L204-K217 WeakPolarHBondContact CB-O 3.33Å; L204-K217 HydrophobicContact CD1-CD 4.24Å; L204-K217 HydrophobicContact CD1-CG 4.28Å; L204-K217 PolarHBondContact N-O 3.41Å; L204-V219 HydrophobicContact CD1-CG2 3.85Å; L204-V219 HydrophobicContact CD2-CG2 4.32Å; L204-V219 HydrophobicContact CG-CG2 4.2Å; L204-L226 HydrophobicContact CD1-CD2 3.85Å |
| 205 | E | 96.4 | Very high | 91.5 | Very high | 95 Ų | 95 | 60.1 Ų | 60.1 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.8 | -172.6 | 61.2 | -169.8 | 157.3 | 0 | 0 | 111.5 | V207 Y216 K217 | E205-V207 HydrophobicContact CG-CG2 4.38Å; E205-Y216 WeakPolarHBondContact O-CA 3.42Å; E205-K217 HydrophobicContact CG-CB 3.87Å; E205-K217 HydrophobicContact CG-CD 3.78Å; E205-K217 HydrophobicContact CG-CG 4.5Å; E205-K217 PolarHBondContact O-N 3.05Å; E205-K217 WeakPolarHBondContact OE1-CD 3.41Å; E205-K217 WeakPolarHBondContact OE1-CE 3.36Å; E205-K217 IonicContact OE1-NZ 2.67Å; E205-K217 PolarHBondContact OE1-NZ 3.46Å |
| 206 | C | 96.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 62 Ų | 62 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.1 | 170.7 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | V209 Y216 | C206-V209 VanDerWaalsContact SG-CG2 3.59Å; C206-Y216 HydrophobicContact CB-CD1 3.86Å; C206-Y216 HydrophobicContact CB-CE1 3.76Å |
| 207 | V | 93.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -33.4 | -174.3 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | E205 V215 K217 Y280 | E205-V207 HydrophobicContact CG-CG2 4.38Å; V207-V215 PolarHBondContact N-O 2.84Å; V207-K217 HydrophobicContact CG2-CB 3.6Å; V207-Y280 HydrophobicContact CG2-CE2 4.21Å |
| 208 | G | 89.1 | Confident | 92.3 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 150.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A214 V215 | G208-A214 CarbonylContact O-C 3.23Å; G208-A214 WeakPolarHBondContact O-CA 3.4Å; G208-V215 PolarHBondContact N-O 3.36Å; G208-V215 PolarHBondContact O-N 2.92Å |
| 209 | V | 89.9 | Confident | 92.5 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 124.4 | 179.6 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | C206 A214 R233 | C206-V209 VanDerWaalsContact SG-CG2 3.59Å; V209-A214 HydrophobicContact CG2-CB 4.3Å; V209-R233 VanDerWaalsContact CG1-CZ 3.47Å |
| 210 | G | 79.8 | Confident | 92.6 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | trans | -136.9 | -170.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | F212 G213 R233 | G210-F212 VanDerWaalsContact C-N 3.35Å; G210-G213 PolarHBondContact N-O 2.82Å; G210-R233 WeakPolarHBondContact O-CD 3.27Å; G210-R233 PolarHBondContact O-NH1 3.23Å | ||
| 211 | E | 75.6 | Confident | 92.7 | Very high | 152 Ų | 152 | 57.5 Ų | 57.5 | 71% | 0.71 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -62.6 | -44 | 173.9 | -179.2 | 165.1 | -168.2 | 0 | 0 | 111.4 | G213 | E211-G213 VanDerWaalsContact C-N 3.33Å; E211-G213 PolarHBondContact O-N 3.38Å |
| 212 | F | 77.5 | Confident | 92.5 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.6 | -18.1 | -174.8 | -51.8 | -59 | 0 | 0 | 0 | 114.7 | G210 S232 L244 | G210-F212 VanDerWaalsContact C-N 3.35Å; F212-S232 WeakPolarHBondContact O-CA 3.41Å; F212-L244 HydrophobicContact CE1-CD1 4.06Å |
| 213 | G | 87.5 | Confident | 92.4 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | -160.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | G210 E211 R231 | G210-G213 PolarHBondContact N-O 2.82Å; E211-G213 VanDerWaalsContact C-N 3.33Å; E211-G213 PolarHBondContact O-N 3.38Å; G213-R231 CarbonylContact C-O 3.6Å; G213-R231 WeakPolarHBondContact CA-O 3.44Å |
| 214 | A | 92.7 | Very high | 92.3 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G208 V209 Y216 R231 | G208-A214 CarbonylContact O-C 3.23Å; G208-A214 WeakPolarHBondContact O-CA 3.4Å; V209-A214 HydrophobicContact CG2-CB 4.3Å; A214-Y216 HydrophobicContact CB-CE2 3.69Å; A214-R231 PolarHBondContact N-O 2.86Å; A214-R231 PolarHBondContact O-N 3.35Å |
| 215 | V | 95.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 26% | 0.261 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.6 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | V207 G208 A228 V229 K230 | V207-V215 PolarHBondContact N-O 2.84Å; G208-V215 PolarHBondContact N-O 3.36Å; G208-V215 PolarHBondContact O-N 2.92Å; V215-A228 HydrophobicContact CG1-CB 4.07Å; V215-V229 WeakPolarHBondContact CA-O 3.18Å; V215-K230 HydrophobicContact CG2-CB 4.04Å; V215-K230 HydrophobicContact CG2-CG 4.01Å |
| 216 | Y | 96.9 | Very high | 92.2 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 21% | 0.208 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141 | -179.9 | -59.8 | -83.1 | 0 | 0 | 0 | 110.6 | Y197 Q203 E205 C206 A214 A228 V229 R231 | Y197-Y216 WeakPolarHBondContact OH-CB 3.39Å; Q203-Y216 VanDerWaalsContact CD-CD1 3.41Å; Q203-Y216 HydrophobicContact CG-CD1 3.94Å; Q203-Y216 HydrophobicContact CG-CG 4.21Å; E205-Y216 WeakPolarHBondContact O-CA 3.42Å; C206-Y216 HydrophobicContact CB-CD1 3.86Å; C206-Y216 HydrophobicContact CB-CE1 3.76Å; A214-Y216 HydrophobicContact CB-CE2 3.69Å; Y216-A228 WeakPolarHBondContact O-CA 3.44Å; Y216-V229 PolarHBondContact N-O 3.38Å; Y216-V229 PolarHBondContact O-N 2.99Å; Y216-R231 HydrophobicContact CE2-CB 4.38Å |
| 217 | K | 97.7 | Very high | 92.2 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 124.2 | 165.9 | 177.7 | -172.3 | -171 | 164.1 | 0 | 107.8 | L204 E205 V207 L226 Y227 Y280 | L204-K217 WeakPolarHBondContact CB-O 3.33Å; L204-K217 HydrophobicContact CD1-CD 4.24Å; L204-K217 HydrophobicContact CD1-CG 4.28Å; L204-K217 PolarHBondContact N-O 3.41Å; E205-K217 HydrophobicContact CG-CB 3.87Å; E205-K217 HydrophobicContact CG-CD 3.78Å; E205-K217 HydrophobicContact CG-CG 4.5Å; E205-K217 PolarHBondContact O-N 3.05Å; E205-K217 WeakPolarHBondContact OE1-CD 3.41Å; E205-K217 WeakPolarHBondContact OE1-CE 3.36Å; E205-K217 IonicContact OE1-NZ 2.67Å; E205-K217 PolarHBondContact OE1-NZ 3.46Å; V207-K217 HydrophobicContact CG2-CB 3.6Å; K217-L226 HydrophobicContact CD-CD2 4.48Å; K217-L226 HydrophobicContact CG-CD2 3.99Å; K217-Y227 WeakPolarHBondContact CA-O 3.29Å; K217-Y280 HydrophobicContact CB-CD2 4.27Å; K217-Y280 HydrophobicContact CB-CE2 3.96Å; K217-Y280 HydrophobicContact CD-CD2 4.49Å; K217-Y280 HydrophobicContact CD-CE1 4.12Å; K217-Y280 HydrophobicContact CD-CE2 3.81Å; K217-Y280 VanDerWaalsContact CE-CZ 3.46Å; K217-Y280 WeakPolarHBondContact CE-OH 3.21Å; K217-Y280 HydrophobicContact CG-CD2 3.95Å; K217-Y280 HydrophobicContact CG-CE1 4.38Å; K217-Y280 HydrophobicContact CG-CE2 3.71Å; K217-Y280 HydrophobicContact CG-CG 4.4Å; K217-Y280 PolarHBondContact NZ-OH 3.1Å |
| 218 | C | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.1 | -173 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | Y197 F201 L202 L226 Y227 V229 | Y197-C218 PolarHBondContact OH-SG 3.21Å; F201-C218 HydrophobicContact CB-CB 4.12Å; F201-C218 HydrophobicContact CD1-CB 3.89Å; F201-C218 HydrophobicContact CG-CB 4.38Å; L202-C218 CarbonylContact O-C 3.47Å; L202-C218 VanDerWaalsContact O-CA 3.31Å; L202-C218 WeakPolarHBondContact O-CA 3.41Å; C218-L226 CarbonylContact O-C 3.48Å; C218-L226 WeakPolarHBondContact O-CA 3.48Å; C218-Y227 PolarHBondContact N-O 2.82Å; C218-Y227 PolarHBondContact O-N 3.37Å; C218-V229 HydrophobicContact CB-CG2 4.01Å |
| 219 | V | 97.9 | Very high | 92.7 | Very high | 35 Ų | 35 | 54 Ų | 54 | 21% | 0.212 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126 | 164.3 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | F201 L202 L204 C225 L226 | F201-V219 CarbonylContact C-O 3.58Å; F201-V219 WeakPolarHBondContact CA-O 3.22Å; L202-V219 HydrophobicContact CB-CB 4.43Å; L202-V219 PolarHBondContact N-O 2.83Å; L202-V219 PolarHBondContact O-N 3Å; L204-V219 HydrophobicContact CD1-CG2 3.85Å; L204-V219 HydrophobicContact CD2-CG2 4.32Å; L204-V219 HydrophobicContact CG-CG2 4.2Å; V219-C225 WeakPolarHBondContact CA-O 3.43Å; V219-L226 HydrophobicContact CG2-CD2 3.7Å |
| 220 | N | 96.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.4 | 167.9 | -176.9 | -58.1 | 0 | 0 | 0 | 108.8 | F201 L222 D223 G224 C225 Y227 | F201-N220 HydrophobicContact CD1-CB 4.03Å; F201-N220 HydrophobicContact CE1-CB 3.87Å; N220-L222 VanDerWaalsContact C-N 3.28Å; N220-L222 PolarHBondContact O-N 3.44Å; N220-L222 WeakPolarHBondContact OD1-CB 3.43Å; N220-L222 PolarHBondContact OD1-N 3.19Å; N220-D223 WeakPolarHBondContact CB-OD1 3.1Å; N220-G224 VanDerWaalsContact O-CA 3.27Å; N220-G224 WeakPolarHBondContact O-CA 3.31Å; N220-G224 PolarHBondContact O-N 3.11Å; N220-C225 PolarHBondContact N-O 3.44Å; N220-Y227 HydrophobicContact CB-CD2 3.73Å; N220-Y227 HydrophobicContact CB-CE2 3.54Å |
| 221 | R | 96.4 | Very high | 93.5 | Very high | 138 Ų | 138 | 52.3 Ų | 52.3 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.8 | -172 | -63.8 | 172.5 | -175.4 | -83 | 3 | 113.6 | S199 E200 F201 | S199-R221 VanDerWaalsContact O-CD 3.32Å; S199-R221 WeakPolarHBondContact O-CD 3.32Å; E200-R221 WeakPolarHBondContact O-CB 3.45Å; E200-R221 WeakPolarHBondContact O-CG 3.48Å; E200-R221 PolarHBondContact O-N 3.02Å; F201-R221 VanDerWaalsContact C-NE 3.31Å; F201-R221 PolarHBondContact O-NE 3.15Å; F201-R221 PolarHBondContact O-NH2 3.34Å |
| 222 | L | 94.6 | Very high | 94.1 | Very high | 149 Ų | 149 | 45.7 Ų | 45.7 | 78% | 0.78 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -41.9 | -179.1 | -60 | 176 | 0 | 0 | 0 | 112.3 | N220 | N220-L222 VanDerWaalsContact C-N 3.28Å; N220-L222 PolarHBondContact O-N 3.44Å; N220-L222 WeakPolarHBondContact OD1-CB 3.43Å; N220-L222 PolarHBondContact OD1-N 3.19Å |
| 223 | D | 94.7 | Very high | 93.9 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -10.1 | -176.4 | 60.9 | 36.8 | 0 | 0 | 0 | 114.4 | N220 C225 Y227 | N220-D223 WeakPolarHBondContact CB-OD1 3.1Å; D223-C225 PolarHBondContact O-N 2.85Å; D223-C225 WeakPolarHBondContact OD1-CB 3.46Å; D223-C225 PolarHBondContact OD1-N 2.8Å; D223-Y227 PolarHBondContact OD2-OH 3.1Å |
| 224 | G | 94.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 56% | 0.557 | 29% | 0.285 | S | S | * | . | trans | 71.4 | 5.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | N220 | N220-G224 VanDerWaalsContact O-CA 3.27Å; N220-G224 WeakPolarHBondContact O-CA 3.31Å; N220-G224 PolarHBondContact O-N 3.11Å | ||
| 225 | C | 95 | Very high | 91.7 | Very high | 61 Ų | 61 | 61 Ų | 61 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | trans | -83.7 | 153.7 | -175.3 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | V219 N220 D223 Y227 | V219-C225 WeakPolarHBondContact CA-O 3.43Å; N220-C225 PolarHBondContact N-O 3.44Å; D223-C225 PolarHBondContact O-N 2.85Å; D223-C225 WeakPolarHBondContact OD1-CB 3.46Å; D223-C225 PolarHBondContact OD1-N 2.8Å; C225-Y227 HydrophobicContact CB-CE2 3.69Å; C225-Y227 VanDerWaalsContact O-CD2 3.32Å; C225-Y227 WeakPolarHBondContact O-CD2 3.27Å | ||
| 226 | L | 96.4 | Very high | 90.3 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 134 | 176.1 | -73.9 | 169.4 | 0 | 0 | 0 | 111.6 | L204 K217 C218 V219 Y280 | L204-L226 HydrophobicContact CD1-CD2 3.85Å; K217-L226 HydrophobicContact CD-CD2 4.48Å; K217-L226 HydrophobicContact CG-CD2 3.99Å; C218-L226 CarbonylContact O-C 3.48Å; C218-L226 WeakPolarHBondContact O-CA 3.48Å; V219-L226 HydrophobicContact CG2-CD2 3.7Å; L226-Y280 HydrophobicContact CB-CD1 3.95Å; L226-Y280 HydrophobicContact CB-CG 4.19Å; L226-Y280 HydrophobicContact CD1-CD1 4.03Å; L226-Y280 HydrophobicContact CD1-CE1 4.29Å |
| 227 | Y | 97.4 | Very high | 88.5 | Confident | 15 Ų | 15 | 61 Ų | 61 | 6% | 0.059 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 150.1 | 179.1 | -67.3 | -81.1 | 0 | 0 | 0 | 111.5 | F201 K217 C218 N220 D223 C225 Y265 Q277 N278 | F201-Y227 HydrophobicContact CE1-CD2 4.15Å; F201-Y227 HydrophobicContact CE1-CG 4.39Å; K217-Y227 WeakPolarHBondContact CA-O 3.29Å; C218-Y227 PolarHBondContact N-O 2.82Å; C218-Y227 PolarHBondContact O-N 3.37Å; N220-Y227 HydrophobicContact CB-CD2 3.73Å; N220-Y227 HydrophobicContact CB-CE2 3.54Å; D223-Y227 PolarHBondContact OD2-OH 3.1Å; C225-Y227 HydrophobicContact CB-CE2 3.69Å; C225-Y227 VanDerWaalsContact O-CD2 3.32Å; C225-Y227 WeakPolarHBondContact O-CD2 3.27Å; Y227-Y265 AromaticContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CE2 4.13Å; Y227-Y265 HydrophobicContact CD1-CG 4.36Å; Y227-Y265 AromaticContact CE1-CD1 3.91Å; Y227-Y265 HydrophobicContact CE1-CD1 3.91Å; Y227-Y265 AromaticContact CE1-CD2 3.57Å; Y227-Y265 HydrophobicContact CE1-CD2 3.57Å; Y227-Y265 AromaticContact CE1-CE1 3.95Å; Y227-Y265 HydrophobicContact CE1-CE1 3.95Å; Y227-Y265 AromaticContact CE1-CE2 3.6Å; Y227-Y265 HydrophobicContact CE1-CE2 3.6Å; Y227-Y265 AromaticContact CE1-CG 3.72Å; Y227-Y265 HydrophobicContact CE1-CG 3.72Å; Y227-Y265 AromaticContact CE1-CZ 3.79Å; Y227-Q277 HydrophobicContact CD1-CG 3.63Å; Y227-Q277 HydrophobicContact CE1-CG 4.33Å; Y227-Q277 HydrophobicContact CG-CG 3.93Å; Y227-N278 WeakPolarHBondContact CA-O 3.46Å; Y227-N278 WeakPolarHBondContact CD1-O 3.21Å |
| 228 | A | 97.4 | Very high | 86.8 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 113.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | V215 Y216 N278 | V215-A228 HydrophobicContact CG1-CB 4.07Å; Y216-A228 WeakPolarHBondContact O-CA 3.44Å; A228-N278 PolarHBondContact N-O 2.9Å; A228-N278 PolarHBondContact O-N 3.41Å |
| 229 | V | 96.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109 | 178.3 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | Y197 F201 V215 Y216 C218 W268 L275 I276 Q277 | Y197-V229 HydrophobicContact CD2-CG1 3.93Å; Y197-V229 HydrophobicContact CE2-CB 3.9Å; Y197-V229 HydrophobicContact CE2-CG1 3.69Å; Y197-V229 HydrophobicContact CE2-CG2 4.24Å; F201-V229 HydrophobicContact CD1-CG2 4.28Å; F201-V229 HydrophobicContact CE1-CG2 4.22Å; V215-V229 WeakPolarHBondContact CA-O 3.18Å; Y216-V229 PolarHBondContact N-O 3.38Å; Y216-V229 PolarHBondContact O-N 2.99Å; C218-V229 HydrophobicContact CB-CG2 4.01Å; V229-W268 HydrophobicContact CG1-CH2 4.35Å; V229-L275 HydrophobicContact CG1-CB 4.39Å; V229-L275 HydrophobicContact CG1-CD2 4.35Å; V229-I276 CarbonylContact C-O 3.58Å; V229-I276 WeakPolarHBondContact CA-O 3.08Å; V229-Q277 HydrophobicContact CG2-CB 4.49Å; V229-Q277 HydrophobicContact CG2-CG 4.45Å |
| 230 | K | 93.7 | Very high | 83.9 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 13% | 0.126 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.2 | 174.9 | -175.1 | -176.8 | -165.3 | -179.2 | 0 | 108.2 | V215 E248 L275 I276 D366 | V215-K230 HydrophobicContact CG2-CB 4.04Å; V215-K230 HydrophobicContact CG2-CG 4.01Å; K230-E248 IonicContact NZ-OE1 2.79Å; K230-E248 PolarHBondContact NZ-OE1 3.01Å; K230-E248 IonicContact NZ-OE2 2.91Å; K230-E248 PolarHBondContact NZ-OE2 2.88Å; K230-L275 CarbonylContact O-C 3.59Å; K230-L275 VanDerWaalsContact O-CA 3.29Å; K230-L275 WeakPolarHBondContact O-CA 3.39Å; K230-I276 HydrophobicContact CB-CB 4.39Å; K230-I276 PolarHBondContact N-O 3.2Å; K230-I276 PolarHBondContact O-N 3.38Å; K230-D366 IonicContact NZ-OD1 3.08Å; K230-D366 PolarHBondContact NZ-OD1 2.94Å |
| 231 | R | 92 | Very high | 82.5 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.4 | 173.7 | -179 | 176.6 | 179.1 | 157.2 | 7.8 | 109.3 | G213 A214 Y216 D271 H273 L275 | G213-R231 CarbonylContact C-O 3.6Å; G213-R231 WeakPolarHBondContact CA-O 3.44Å; A214-R231 PolarHBondContact N-O 2.86Å; A214-R231 PolarHBondContact O-N 3.35Å; Y216-R231 HydrophobicContact CE2-CB 4.38Å; R231-D271 IonicContact NH2-OD2 3.77Å; R231-H273 HydrophobicContact CG-CB 4.13Å; R231-H273 PolarHBondContact NH2-ND1 2.89Å; R231-L275 HydrophobicContact CB-CG 4.15Å; R231-L275 HydrophobicContact CG-CD1 4.03Å; R231-L275 HydrophobicContact CG-CG 4.07Å |
| 232 | S | 87.5 | Confident | 81.5 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 161.8 | 177.4 | 74 | 0 | 0 | 0 | 0 | 112.2 | F212 R234 L236 H273 M274 | F212-S232 WeakPolarHBondContact O-CA 3.41Å; S232-R234 PolarHBondContact OG-O 3.38Å; S232-L236 WeakPolarHBondContact OG-CD1 3.27Å; S232-H273 PolarHBondContact O-CD2 3.08Å; S232-H273 VanDerWaalsContact OG-CA 3.3Å; S232-H273 WeakPolarHBondContact OG-CA 3.38Å; S232-M274 PolarHBondContact N-O 3.41Å; S232-M274 PolarHBondContact OG-N 2.95Å |
| 233 | R | 73.6 | Confident | 80.5 | Confident | 146 Ų | 146 | 64.3 Ų | 64.3 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -97.5 | -10.7 | -175.4 | -106.5 | 168.7 | 163.6 | -160 | -13.4 | 115.5 | V209 G210 | V209-R233 VanDerWaalsContact CG1-CZ 3.47Å; G210-R233 WeakPolarHBondContact O-CD 3.27Å; G210-R233 PolarHBondContact O-NH1 3.23Å |
| 234 | R | 70.7 | Confident | 79.5 | Confident | 182 Ų | 182 | 61.2 Ų | 61.2 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -142.3 | 155.1 | -175.7 | -66.3 | -176.4 | -178.8 | 166 | 2.9 | 109.6 | S232 L236 | S232-R234 PolarHBondContact OG-O 3.38Å; R234-L236 PolarHBondContact O-N 2.8Å |
| 235 | P | 64.1 | Low | 78.5 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | trans | -47.3 | 118.4 | 157.7 | -29.2 | 37.6 | 0 | 0 | 0 | 110.1 | D272 | P235-D272 WeakPolarHBondContact CA-O 3.31Å; P235-D272 HydrophobicContact CB-CB 3.65Å; P235-D272 HydrophobicContact CG-CB 4.01Å | ||
| 236 | L | 64.7 | Low | 77.9 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | trans | -89.5 | -25.7 | -172.6 | -80.7 | 169.1 | 0 | 0 | 0 | 113.9 | S232 R234 G238 S239 N241 E242 A245 D272 M274 | S232-L236 WeakPolarHBondContact OG-CD1 3.27Å; R234-L236 PolarHBondContact O-N 2.8Å; L236-G238 PolarHBondContact O-N 3.06Å; L236-S239 VanDerWaalsContact O-CB 3.28Å; L236-S239 WeakPolarHBondContact O-CB 3.32Å; L236-S239 PolarHBondContact O-N 2.95Å; L236-S239 PolarHBondContact O-OG 2.99Å; L236-N241 HydrophobicContact CD2-CB 3.54Å; L236-E242 HydrophobicContact CB-CB 4.46Å; L236-E242 HydrophobicContact CB-CG 4.46Å; L236-E242 WeakPolarHBondContact O-CB 3.21Å; L236-A245 HydrophobicContact CD1-CB 4.03Å; L236-D272 PolarHBondContact N-O 2.74Å; L236-D272 VanDerWaalsContact N-O 3.12Å; L236-M274 HydrophobicContact CD1-CB 3.5Å; L236-M274 HydrophobicContact CD1-CG 3.38Å | ||
| 237 | A | 60.6 | Low | 77.2 | Confident | 83 Ų | 83 | 59 Ų | 59 | 69% | 0.686 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 121.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S239 | A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 2.82Å |
| 238 | G | 60.5 | Low | 76.7 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 80% | 0.804 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 4.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L236 E242 | L236-G238 PolarHBondContact O-N 3.06Å; G238-E242 WeakPolarHBondContact CA-OE2 3.38Å; G238-E242 PolarHBondContact N-OE2 3.47Å |
| 239 | S | 69.9 | Low | 76.2 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -93.6 | 157.5 | -177.7 | 75.5 | 0 | 0 | 0 | 0 | 113.3 | L236 A237 N241 E242 | L236-S239 VanDerWaalsContact O-CB 3.28Å; L236-S239 WeakPolarHBondContact O-CB 3.32Å; L236-S239 PolarHBondContact O-N 2.95Å; L236-S239 PolarHBondContact O-OG 2.99Å; A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 2.82Å; S239-N241 PolarHBondContact O-N 2.79Å; S239-N241 PolarHBondContact OG-N 3.46Å; S239-E242 WeakPolarHBondContact O-CB 3.46Å; S239-E242 PolarHBondContact O-N 2.84Å; S239-E242 PolarHBondContact OG-N 2.9Å |
| 240 | A | 65.5 | Low | 75.7 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 63% | 0.628 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.8 | -33.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E242 Q243 | A240-E242 PolarHBondContact O-N 2.89Å; A240-Q243 PolarHBondContact O-N 2.87Å |
| 241 | N | 67.6 | Low | 75.4 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.6 | -20.4 | 178.6 | -63.2 | 22.9 | 0 | 0 | 0 | 112.4 | L236 S239 Q243 L244 A245 | L236-N241 HydrophobicContact CD2-CB 3.54Å; S239-N241 PolarHBondContact O-N 2.79Å; S239-N241 PolarHBondContact OG-N 3.46Å; N241-Q243 VanDerWaalsContact C-N 3.33Å; N241-L244 PolarHBondContact O-N 2.82Å; N241-A245 PolarHBondContact O-N 2.89Å |
| 242 | E | 74.7 | Confident | 75.1 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 171.7 | -161.8 | 176.8 | -164.6 | 0 | 0 | 110.8 | L236 G238 S239 A240 L244 A245 L246 | L236-E242 HydrophobicContact CB-CB 4.46Å; L236-E242 HydrophobicContact CB-CG 4.46Å; L236-E242 WeakPolarHBondContact O-CB 3.21Å; G238-E242 WeakPolarHBondContact CA-OE2 3.38Å; G238-E242 PolarHBondContact N-OE2 3.47Å; S239-E242 WeakPolarHBondContact O-CB 3.46Å; S239-E242 PolarHBondContact O-N 2.84Å; S239-E242 PolarHBondContact OG-N 2.9Å; A240-E242 PolarHBondContact O-N 2.89Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.38Å; E242-A245 PolarHBondContact O-N 2.9Å; E242-L246 HydrophobicContact CG-CD1 4.12Å; E242-L246 WeakPolarHBondContact O-CB 3.25Å; E242-L246 VanDerWaalsContact O-CG 3.26Å; E242-L246 WeakPolarHBondContact O-CG 3.27Å; E242-L246 PolarHBondContact O-N 2.75Å |
| 243 | Q | 73.7 | Confident | 75 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 178.5 | -59.4 | -169.2 | 18.5 | 0 | 0 | 111.5 | A240 N241 K247 | A240-Q243 PolarHBondContact O-N 2.87Å; N241-Q243 VanDerWaalsContact C-N 3.33Å; Q243-K247 WeakPolarHBondContact O-CB 3.41Å; Q243-K247 VanDerWaalsContact O-CG 3.25Å; Q243-K247 WeakPolarHBondContact O-CG 3.29Å; Q243-K247 PolarHBondContact O-N 3.46Å |
| 244 | L | 73.1 | Confident | 75.7 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 172.6 | -81 | 163.2 | 0 | 0 | 0 | 112.4 | F212 N241 E242 L246 K247 E248 G368 | F212-L244 HydrophobicContact CE1-CD1 4.06Å; N241-L244 PolarHBondContact O-N 2.82Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.38Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.44Å; L244-K247 HydrophobicContact CD2-CD 4.34Å; L244-K247 WeakPolarHBondContact O-CB 3.34Å; L244-K247 PolarHBondContact O-N 3.3Å; L244-E248 PolarHBondContact O-N 2.86Å; L244-E248 VanDerWaalsContact O-N 3.11Å; L244-G368 WeakPolarHBondContact CD2-O 3.26Å |
| 245 | A | 74.3 | Confident | 76.5 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L236 N241 E242 E248 V249 M274 | L236-A245 HydrophobicContact CD1-CB 4.03Å; N241-A245 PolarHBondContact O-N 2.89Å; E242-A245 PolarHBondContact O-N 2.9Å; A245-E248 PolarHBondContact O-N 2.94Å; A245-V249 WeakPolarHBondContact O-CG2 3.23Å; A245-V249 PolarHBondContact O-N 3.3Å; A245-M274 HydrophobicContact CB-CB 4.43Å; A245-M274 HydrophobicContact CB-CG 4.3Å |
| 246 | L | 81.4 | Confident | 77.5 | Confident | 94 Ų | 94 | 50.5 Ų | 50.5 | 49% | 0.492 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.6 | -33.1 | 175.8 | -69.7 | 171.8 | 0 | 0 | 0 | 112.8 | E242 L244 Y250 | E242-L246 HydrophobicContact CG-CD1 4.12Å; E242-L246 WeakPolarHBondContact O-CB 3.25Å; E242-L246 VanDerWaalsContact O-CG 3.26Å; E242-L246 WeakPolarHBondContact O-CG 3.27Å; E242-L246 PolarHBondContact O-N 2.75Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.44Å; L246-Y250 VanDerWaalsContact O-CB 3.23Å; L246-Y250 WeakPolarHBondContact O-CB 3.14Å; L246-Y250 PolarHBondContact O-N 2.76Å |
| 247 | K | 82.9 | Confident | 78.7 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 171.2 | -82.4 | 171.6 | 173.8 | -172.6 | 0 | 111.2 | Q243 L244 V249 Y250 A251 R377 E379 | Q243-K247 WeakPolarHBondContact O-CB 3.41Å; Q243-K247 VanDerWaalsContact O-CG 3.25Å; Q243-K247 WeakPolarHBondContact O-CG 3.29Å; Q243-K247 PolarHBondContact O-N 3.46Å; L244-K247 HydrophobicContact CD2-CD 4.34Å; L244-K247 WeakPolarHBondContact O-CB 3.34Å; L244-K247 PolarHBondContact O-N 3.3Å; K247-V249 PolarHBondContact O-N 3.33Å; K247-Y250 PolarHBondContact O-N 3Å; K247-A251 VanDerWaalsContact O-CB 3.28Å; K247-A251 WeakPolarHBondContact O-CB 3.24Å; K247-A251 PolarHBondContact O-N 3.07Å; K247-R377 PolarHBondContact NZ-O 3.15Å; K247-E379 IonicContact NZ-OE1 3.56Å; K247-E379 PolarHBondContact NZ-OE1 3.05Å |
| 248 | E | 86.2 | Confident | 80.2 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 178.8 | -172.4 | 174.1 | -175.7 | 0 | 0 | 111.2 | K230 L244 A245 A251 H252 I276 L367 | K230-E248 IonicContact NZ-OE1 2.79Å; K230-E248 PolarHBondContact NZ-OE1 3.01Å; K230-E248 IonicContact NZ-OE2 2.91Å; K230-E248 PolarHBondContact NZ-OE2 2.88Å; L244-E248 PolarHBondContact O-N 2.86Å; L244-E248 VanDerWaalsContact O-N 3.11Å; A245-E248 PolarHBondContact O-N 2.94Å; E248-A251 PolarHBondContact O-N 3.3Å; E248-H252 PolarHBondContact O-CD2 2.94Å; E248-H252 PolarHBondContact O-N 3.12Å; E248-I276 HydrophobicContact CB-CD1 4.2Å; E248-I276 HydrophobicContact CG-CD1 3.92Å; E248-I276 WeakPolarHBondContact OE2-CD1 3.39Å; E248-L367 HydrophobicContact CG-CB 4.33Å |
| 249 | V | 86.4 | Confident | 81.8 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.4 | 175 | 0 | 0 | 0 | 0 | 112.1 | A245 K247 H252 A253 A267 M274 I276 | A245-V249 WeakPolarHBondContact O-CG2 3.23Å; A245-V249 PolarHBondContact O-N 3.3Å; K247-V249 PolarHBondContact O-N 3.33Å; V249-H252 PolarHBondContact O-N 3.36Å; V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.43Å; V249-A267 HydrophobicContact CG1-CB 4.41Å; V249-A267 HydrophobicContact CG2-CB 3.65Å; V249-M274 HydrophobicContact CG2-CE 4.45Å; V249-I276 HydrophobicContact CG2-CD1 4.03Å; V249-I276 HydrophobicContact CG2-CG1 4.23Å |
| 250 | Y | 87.5 | Confident | 83.1 | Confident | 158 Ų | 158 | 50.4 Ų | 50.4 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 178.1 | 179.3 | -93.7 | 0 | 0 | 0 | 112.2 | L246 K247 H252 A253 V254 | L246-Y250 VanDerWaalsContact O-CB 3.23Å; L246-Y250 WeakPolarHBondContact O-CB 3.14Å; L246-Y250 PolarHBondContact O-N 2.76Å; K247-Y250 PolarHBondContact O-N 3Å; Y250-H252 VanDerWaalsContact C-N 3.35Å; Y250-H252 PolarHBondContact O-N 2.8Å; Y250-A253 PolarHBondContact O-N 3.42Å; Y250-V254 HydrophobicContact CD1-CG2 4.21Å; Y250-V254 HydrophobicContact CE1-CG2 3.72Å; Y250-V254 HydrophobicContact CE2-CG2 4.09Å; Y250-V254 WeakPolarHBondContact O-CG2 3.37Å; Y250-V254 PolarHBondContact O-N 2.6Å |
| 251 | A | 87.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K247 E248 A253 V254 L255 L367 V370 | K247-A251 VanDerWaalsContact O-CB 3.28Å; K247-A251 WeakPolarHBondContact O-CB 3.24Å; K247-A251 PolarHBondContact O-N 3.07Å; E248-A251 PolarHBondContact O-N 3.3Å; A251-A253 PolarHBondContact O-N 2.85Å; A251-V254 PolarHBondContact O-N 3.17Å; A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 WeakPolarHBondContact O-CD1 3.22Å; A251-L255 VanDerWaalsContact O-CG 3.25Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 2.98Å; A251-L367 HydrophobicContact CB-CB 3.96Å; A251-L367 HydrophobicContact CB-CD1 3.98Å; A251-V370 HydrophobicContact CB-CB 3.78Å; A251-V370 HydrophobicContact CB-CG1 3.66Å; A251-V370 HydrophobicContact CB-CG2 4.21Å |
| 252 | H | 85.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.023 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 174.8 | -81.2 | -57.7 | 0 | 0 | 0 | 113.2 | E248 V249 Y250 V254 G256 V262 Y264 L367 | E248-H252 PolarHBondContact O-CD2 2.94Å; E248-H252 PolarHBondContact O-N 3.12Å; V249-H252 PolarHBondContact O-N 3.36Å; Y250-H252 VanDerWaalsContact C-N 3.35Å; Y250-H252 PolarHBondContact O-N 2.8Å; H252-V254 VanDerWaalsContact C-N 3.34Å; H252-V254 PolarHBondContact O-N 3.34Å; H252-G256 PolarHBondContact O-N 2.86Å; H252-G256 VanDerWaalsContact O-N 3.14Å; H252-V262 PolarHBondContact CE1-O 3.43Å; H252-Y264 HydrophobicContact CB-CD1 3.92Å; H252-Y264 HydrophobicContact CB-CD2 3.94Å; H252-Y264 HydrophobicContact CB-CG 3.56Å; H252-Y264 AromaticContact CD2-CD2 3.98Å; H252-Y264 VanDerWaalsContact CG-CB 3.41Å; H252-Y264 AromaticContact CG-CD2 4Å; H252-Y264 AromaticContact CG-CG 3.81Å; H252-Y264 WeakPolarHBondContact ND1-CB 3.37Å; H252-L367 VanDerWaalsContact CE1-CD1 3.44Å; H252-L367 WeakPolarHBondContact CE1-CD1 3.37Å; H252-L367 WeakPolarHBondContact ND1-CD1 3.34Å |
| 253 | A | 84.9 | Confident | 86.8 | Confident | 72 Ų | 72 | 46.2 Ų | 46.2 | 60% | 0.595 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.3 | -33.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V249 Y250 A251 | V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.43Å; Y250-A253 PolarHBondContact O-N 3.42Å; A251-A253 PolarHBondContact O-N 2.85Å |
| 254 | V | 88.6 | Confident | 87.7 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 29% | 0.291 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -79.1 | -41.6 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | Y250 A251 H252 Y322 L324 | Y250-V254 HydrophobicContact CD1-CG2 4.21Å; Y250-V254 HydrophobicContact CE1-CG2 3.72Å; Y250-V254 HydrophobicContact CE2-CG2 4.09Å; Y250-V254 WeakPolarHBondContact O-CG2 3.37Å; Y250-V254 PolarHBondContact O-N 2.6Å; A251-V254 PolarHBondContact O-N 3.17Å; H252-V254 VanDerWaalsContact C-N 3.34Å; H252-V254 PolarHBondContact O-N 3.34Å; V254-Y322 HydrophobicContact CG1-CD1 3.91Å; V254-Y322 WeakPolarHBondContact O-CE1 3.35Å; V254-L324 HydrophobicContact CB-CD1 4.37Å; V254-L324 HydrophobicContact CG1-CD1 3.98Å |
| 255 | L | 87.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.8 | -31.2 | -174.6 | -71.9 | 169 | 0 | 0 | 0 | 113.3 | A251 H257 F318 I319 Y322 L324 L367 | A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 WeakPolarHBondContact O-CD1 3.22Å; A251-L255 VanDerWaalsContact O-CG 3.25Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 2.98Å; L255-H257 PolarHBondContact O-N 2.85Å; L255-F318 HydrophobicContact CB-CE1 4.2Å; L255-F318 HydrophobicContact CD2-CD1 4.25Å; L255-F318 HydrophobicContact CD2-CE1 4.15Å; L255-F318 WeakPolarHBondContact O-CE1 3.32Å; L255-F318 WeakPolarHBondContact O-CZ 3.46Å; L255-I319 HydrophobicContact CD1-CG1 4.11Å; L255-I319 HydrophobicContact CD2-CB 4.3Å; L255-I319 HydrophobicContact CD2-CG1 4.07Å; L255-I319 HydrophobicContact CD2-CG2 4.47Å; L255-Y322 HydrophobicContact CD2-CD2 4.02Å; L255-Y322 HydrophobicContact CD2-CG 4.2Å; L255-L324 HydrophobicContact CD1-CD1 4.42Å; L255-L324 HydrophobicContact CD2-CD1 3.97Å; L255-L324 HydrophobicContact CG-CD1 3.95Å; L255-L367 HydrophobicContact CD1-CD1 3.76Å |
| 256 | G | 85 | Confident | 89.5 | Confident | 46 Ų | 46 | 47 Ų | 47 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | trans | 65 | -132.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H252 | H252-G256 PolarHBondContact O-N 2.86Å; H252-G256 VanDerWaalsContact O-N 3.14Å | ||
| 257 | H | 89.4 | Confident | 90 | Very high | 103 Ų | 103 | 43.8 Ų | 43.8 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | trans | -115.6 | 131.6 | -176.2 | 179.1 | 57.4 | 0 | 0 | 0 | 113.2 | L255 | L255-H257 PolarHBondContact O-N 2.85Š| ||
| 258 | H | 92.9 | Very high | 90.4 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | trans | -142.8 | 143.4 | 170.6 | -179 | -103.3 | 0 | 0 | 0 | 110 | H260 V261 M314 F318 | H258-H260 AromaticContact CE1-CD2 3.84Å; H258-H260 PolarHBondContact ND1-N 3.44Å; H258-H260 PolarHBondContact O-N 2.86Å; H258-H260 VanDerWaalsContact O-N 3.1Å; H258-V261 HydrophobicContact CB-CB 4.32Å; H258-V261 HydrophobicContact CB-CG2 4.21Å; H258-V261 PolarHBondContact O-N 3.26Å; H258-V261 VanDerWaalsContact O-N 3.14Å; H258-M314 PolarHBondContact CE1-O 2.96Å; H258-M314 VanDerWaalsContact CE1-O 3.24Å; H258-F318 HydrophobicContact CB-CB 4.5Å; H258-F318 HydrophobicContact CB-CD1 3.52Å; H258-F318 HydrophobicContact CB-CD2 4.07Å; H258-F318 HydrophobicContact CB-CE1 3.55Å; H258-F318 HydrophobicContact CB-CE2 4.09Å; H258-F318 HydrophobicContact CB-CG 3.78Å; H258-F318 HydrophobicContact CB-CZ 3.84Å; H258-F318 AromaticContact CD2-CD2 3.56Å; H258-F318 AromaticContact CD2-CG 3.65Å; H258-F318 AromaticContact CG-CD1 3.83Å; H258-F318 AromaticContact CG-CD2 3.91Å; H258-F318 AromaticContact CG-CG 3.6Å | ||
| 259 | P | 93.7 | Very high | 90.5 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.3 | -176.1 | -28.4 | 36.8 | 0 | 0 | 0 | 115.6 | K363 | P259-K363 WeakPolarHBondContact O-CE 3.31Å; P259-K363 WeakPolarHBondContact O-CG 3.41Å |
| 260 | H | 96.6 | Very high | 90.6 | Very high | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 21 | -178.9 | -56.1 | -65.7 | 0 | 0 | 0 | 113.7 | H258 Q311 Y362 I364 | H258-H260 AromaticContact CE1-CD2 3.84Å; H258-H260 PolarHBondContact ND1-N 3.44Å; H258-H260 PolarHBondContact O-N 2.86Å; H258-H260 VanDerWaalsContact O-N 3.1Å; H260-Q311 VanDerWaalsContact CB-O 3.31Å; H260-Q311 WeakPolarHBondContact CB-O 3.43Å; H260-Q311 PolarHBondContact CE1-OE1 3.03Å; H260-Q311 VanDerWaalsContact CG-O 3.26Å; H260-Q311 PolarHBondContact ND1-OE1 3.44Å; H260-Y362 PolarHBondContact ND1-O 2.98Å; H260-I364 PolarHBondContact O-N 3.21Å |
| 261 | V | 96.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -128.9 | 135 | 169.3 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | H258 R263 F318 I319 I364 | H258-V261 HydrophobicContact CB-CB 4.32Å; H258-V261 HydrophobicContact CB-CG2 4.21Å; H258-V261 PolarHBondContact O-N 3.26Å; H258-V261 VanDerWaalsContact O-N 3.14Å; V261-R263 PolarHBondContact O-N 3Å; V261-R263 VanDerWaalsContact O-N 3.15Å; V261-F318 HydrophobicContact CG2-CD1 4.27Å; V261-I319 HydrophobicContact CG2-CD1 4.18Å; V261-I319 HydrophobicContact CG2-CG1 4.18Å; V261-I364 CarbonylContact C-O 3.58Å; V261-I364 WeakPolarHBondContact CA-O 3.38Å |
| 262 | V | 95.8 | Very high | 90.2 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 118 | 179.7 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | H252 Y264 N278 E279 F335 K363 I364 | H252-V262 PolarHBondContact CE1-O 3.43Å; V262-Y264 PolarHBondContact O-N 2.92Å; V262-N278 HydrophobicContact CG1-CB 3.89Å; V262-E279 WeakPolarHBondContact CA-OE1 3.46Å; V262-E279 HydrophobicContact CG1-CG 3.94Å; V262-F335 HydrophobicContact CG2-CB 4.27Å; V262-F335 HydrophobicContact CG2-CD2 3.75Å; V262-F335 HydrophobicContact CG2-CG 4.29Å; V262-K363 HydrophobicContact CG2-CB 3.81Å; V262-I364 WeakPolarHBondContact CG2-O 3.42Å; V262-I364 PolarHBondContact N-O 2.96Å |
| 263 | R | 93.2 | Very high | 90.2 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 125.6 | -178 | -179 | 175.4 | 177.4 | 169.8 | 0.3 | 110.9 | V261 Y265 N278 E279 | V261-R263 PolarHBondContact O-N 3Å; V261-R263 VanDerWaalsContact O-N 3.15Å; R263-Y265 HydrophobicContact CB-CE2 4.33Å; R263-Y265 HydrophobicContact CG-CD2 4.37Å; R263-Y265 HydrophobicContact CG-CE2 3.89Å; R263-N278 CarbonylContact O-C 3.58Å; R263-N278 WeakPolarHBondContact O-CA 3.29Å; R263-E279 HydrophobicContact CB-CB 4.32Å; R263-E279 HydrophobicContact CB-CG 4.04Å; R263-E279 WeakPolarHBondContact CB-OE1 3.27Å; R263-E279 PolarHBondContact N-OE1 2.68Å; R263-E279 PolarHBondContact O-N 3Å |
| 264 | Y | 92.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 48.6 Ų | 48.6 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 148.5 | 168.1 | 166.2 | -95.2 | 0 | 0 | 0 | 111.9 | H252 V262 S266 A267 I276 N278 | H252-Y264 HydrophobicContact CB-CD1 3.92Å; H252-Y264 HydrophobicContact CB-CD2 3.94Å; H252-Y264 HydrophobicContact CB-CG 3.56Å; H252-Y264 AromaticContact CD2-CD2 3.98Å; H252-Y264 VanDerWaalsContact CG-CB 3.41Å; H252-Y264 AromaticContact CG-CD2 4Å; H252-Y264 AromaticContact CG-CG 3.81Å; H252-Y264 WeakPolarHBondContact ND1-CB 3.37Å; V262-Y264 PolarHBondContact O-N 2.92Å; Y264-S266 WeakPolarHBondContact CE2-O 3.38Å; Y264-A267 HydrophobicContact CE2-CB 3.9Å; Y264-A267 WeakPolarHBondContact OH-CB 3.31Å; Y264-A267 PolarHBondContact OH-N 3.38Å; Y264-I276 HydrophobicContact CD2-CG2 4.02Å; Y264-I276 HydrophobicContact CE2-CG2 4.12Å; Y264-N278 WeakPolarHBondContact CA-OD1 3.4Å |
| 265 | Y | 92.3 | Very high | 90.5 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 35% | 0.345 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | -47.8 | 176.8 | -70.7 | -94.8 | 0 | 0 | 0 | 112.8 | Y227 R263 Q277 E279 | Y227-Y265 AromaticContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CE2 4.13Å; Y227-Y265 HydrophobicContact CD1-CG 4.36Å; Y227-Y265 AromaticContact CE1-CD1 3.91Å; Y227-Y265 HydrophobicContact CE1-CD1 3.91Å; Y227-Y265 AromaticContact CE1-CD2 3.57Å; Y227-Y265 HydrophobicContact CE1-CD2 3.57Å; Y227-Y265 AromaticContact CE1-CE1 3.95Å; Y227-Y265 HydrophobicContact CE1-CE1 3.95Å; Y227-Y265 AromaticContact CE1-CE2 3.6Å; Y227-Y265 HydrophobicContact CE1-CE2 3.6Å; Y227-Y265 AromaticContact CE1-CG 3.72Å; Y227-Y265 HydrophobicContact CE1-CG 3.72Å; Y227-Y265 AromaticContact CE1-CZ 3.79Å; R263-Y265 HydrophobicContact CB-CE2 4.33Å; R263-Y265 HydrophobicContact CG-CD2 4.37Å; R263-Y265 HydrophobicContact CG-CE2 3.89Å; Y265-Q277 PolarHBondContact N-O 3.32Å; Y265-E279 HydrophobicContact CE2-CB 3.95Å |
| 266 | S | 92.9 | Very high | 90.8 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 154.4 | -174.2 | -161.2 | 0 | 0 | 0 | 0 | 111.5 | R196 Y264 Q277 | R196-S266 PolarHBondContact NH1-OG 3.35Å; R196-S266 VanDerWaalsContact NH1-OG 3.14Å; Y264-S266 WeakPolarHBondContact CE2-O 3.38Å; S266-Q277 VanDerWaalsContact CB-OE1 3.3Å; S266-Q277 PolarHBondContact N-O 3.37Å; S266-Q277 PolarHBondContact O-N 2.87Å |
| 267 | A | 91.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 21% | 0.207 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V249 Y264 L275 I276 | V249-A267 HydrophobicContact CG1-CB 4.41Å; V249-A267 HydrophobicContact CG2-CB 3.65Å; Y264-A267 HydrophobicContact CE2-CB 3.9Å; Y264-A267 WeakPolarHBondContact OH-CB 3.31Å; Y264-A267 PolarHBondContact OH-N 3.38Å; A267-L275 CarbonylContact C-O 3.56Å; A267-L275 WeakPolarHBondContact CA-O 3.32Å; A267-L275 WeakPolarHBondContact CB-O 3.44Å; A267-I276 HydrophobicContact CB-CG1 4.12Å |
| 268 | W | 91.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 166.7 | 176.5 | 65.9 | 101.5 | 0 | 0 | 0 | 110.8 | Y197 F201 V229 E270 L275 Q277 | Y197-W268 HydrophobicContact CD2-CZ2 4.37Å; F201-W268 HydrophobicContact CD2-CH2 4.34Å; F201-W268 AromaticContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CZ2 4.09Å; F201-W268 HydrophobicContact CE2-CZ3 4.44Å; F201-W268 HydrophobicContact CZ-CH2 4Å; V229-W268 HydrophobicContact CG1-CH2 4.35Å; W268-E270 PolarHBondContact NE1-OE2 2.72Å; W268-L275 HydrophobicContact CD2-CB 4.02Å; W268-L275 HydrophobicContact CE3-CB 4.36Å; W268-L275 HydrophobicContact CH2-CB 4.27Å; W268-L275 HydrophobicContact CH2-CD2 4.48Å; W268-L275 HydrophobicContact CZ2-CB 3.9Å; W268-L275 HydrophobicContact CZ2-CD2 3.61Å; W268-L275 HydrophobicContact CZ2-CG 4.41Å; W268-L275 HydrophobicContact CZ3-CB 4.49Å; W268-L275 PolarHBondContact N-O 2.75Å; W268-L275 PolarHBondContact O-N 2.64Å; W268-Q277 HydrophobicContact CH2-CB 4.47Å; W268-Q277 HydrophobicContact CZ3-CB 3.96Å |
| 269 | A | 88.4 | Confident | 91.6 | Very high | 73 Ų | 73 | 40.5 Ų | 40.5 | 60% | 0.603 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | H273 M274 | A269-H273 VanDerWaalsContact CA-O 3.28Å; A269-H273 WeakPolarHBondContact CA-O 3.46Å; A269-M274 HydrophobicContact CB-SD 3.86Å |
| 270 | E | 88.3 | Confident | 91.7 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 142.7 | 169 | 54.2 | 172.4 | -119.5 | 0 | 0 | 110.1 | S195 R196 Y197 W268 D272 H273 L275 | S195-E270 WeakPolarHBondContact CB-OE1 3.27Å; S195-E270 VanDerWaalsContact OG-CD 3.25Å; S195-E270 PolarHBondContact OG-OE1 3.45Å; S195-E270 PolarHBondContact OG-OE2 3.12Å; R196-E270 WeakPolarHBondContact CB-OE2 3.4Å; R196-E270 PolarHBondContact N-OE2 2.88Å; Y197-E270 VanDerWaalsContact CB-OE1 3.23Å; Y197-E270 WeakPolarHBondContact CB-OE1 3.19Å; Y197-E270 PolarHBondContact N-OE2 2.74Å; W268-E270 PolarHBondContact NE1-OE2 2.72Å; E270-D272 PolarHBondContact O-N 3.34Å; E270-H273 PolarHBondContact N-O 2.89Å; E270-H273 WeakPolarHBondContact O-CA 3.37Å; E270-H273 WeakPolarHBondContact O-CB 2.95Å; E270-H273 PolarHBondContact O-N 2.9Å; E270-L275 HydrophobicContact CG-CD1 3.55Å; E270-L275 HydrophobicContact CG-CD2 4.1Å; E270-L275 HydrophobicContact CG-CG 4.46Å |
| 271 | D | 84.9 | Confident | 91.6 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 57% | 0.572 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | 42.8 | -177 | -51.5 | -32.2 | 0 | 0 | 0 | 113.8 | R231 H273 | R231-D271 IonicContact NH2-OD2 3.77Å; D271-H273 PolarHBondContact O-CE1 2.88Å; D271-H273 PolarHBondContact O-N 2.74Å; D271-H273 VanDerWaalsContact O-N 3.09Å; D271-H273 PolarHBondContact O-ND1 3.31Å |
| 272 | D | 82.5 | Confident | 91.5 | Very high | 111 Ų | 111 | 43.4 Ų | 43.4 | 59% | 0.594 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 1.9 | -172 | -54.1 | -39.3 | 0 | 0 | 0 | 116.8 | P235 L236 E270 | P235-D272 WeakPolarHBondContact CA-O 3.31Å; P235-D272 HydrophobicContact CB-CB 3.65Å; P235-D272 HydrophobicContact CG-CB 4.01Å; L236-D272 PolarHBondContact N-O 2.74Å; L236-D272 VanDerWaalsContact N-O 3.12Å; E270-D272 PolarHBondContact O-N 3.34Å |
| 273 | H | 85.6 | Confident | 91.3 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.3 | 176.4 | -58.8 | 88.6 | 0 | 0 | 0 | 111.1 | R231 S232 A269 E270 D271 L275 | R231-H273 HydrophobicContact CG-CB 4.13Å; R231-H273 PolarHBondContact NH2-ND1 2.89Å; S232-H273 PolarHBondContact O-CD2 3.08Å; S232-H273 VanDerWaalsContact OG-CA 3.3Å; S232-H273 WeakPolarHBondContact OG-CA 3.38Å; A269-H273 VanDerWaalsContact CA-O 3.28Å; A269-H273 WeakPolarHBondContact CA-O 3.46Å; E270-H273 PolarHBondContact N-O 2.89Å; E270-H273 WeakPolarHBondContact O-CA 3.37Å; E270-H273 WeakPolarHBondContact O-CB 2.95Å; E270-H273 PolarHBondContact O-N 2.9Å; D271-H273 PolarHBondContact O-CE1 2.88Å; D271-H273 PolarHBondContact O-N 2.74Å; D271-H273 VanDerWaalsContact O-N 3.09Å; D271-H273 PolarHBondContact O-ND1 3.31Å; H273-L275 HydrophobicContact CB-CD1 3.97Å |
| 274 | M | 87.9 | Confident | 91.4 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 133.9 | 165.4 | -73.2 | -67.8 | -66 | 0 | 0 | 109.3 | S232 L236 A245 V249 A269 | S232-M274 PolarHBondContact N-O 3.41Å; S232-M274 PolarHBondContact OG-N 2.95Å; L236-M274 HydrophobicContact CD1-CB 3.5Å; L236-M274 HydrophobicContact CD1-CG 3.38Å; A245-M274 HydrophobicContact CB-CB 4.43Å; A245-M274 HydrophobicContact CB-CG 4.3Å; V249-M274 HydrophobicContact CG2-CE 4.45Å; A269-M274 HydrophobicContact CB-SD 3.86Å |
| 275 | L | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133 | 174.6 | -72.9 | 73.8 | 0 | 0 | 0 | 109 | Y197 V229 K230 R231 A267 W268 E270 H273 | Y197-L275 HydrophobicContact CD2-CD2 3.82Å; Y197-L275 HydrophobicContact CG-CD2 3.84Å; V229-L275 HydrophobicContact CG1-CB 4.39Å; V229-L275 HydrophobicContact CG1-CD2 4.35Å; K230-L275 CarbonylContact O-C 3.59Å; K230-L275 VanDerWaalsContact O-CA 3.29Å; K230-L275 WeakPolarHBondContact O-CA 3.39Å; R231-L275 HydrophobicContact CB-CG 4.15Å; R231-L275 HydrophobicContact CG-CD1 4.03Å; R231-L275 HydrophobicContact CG-CG 4.07Å; A267-L275 CarbonylContact C-O 3.56Å; A267-L275 WeakPolarHBondContact CA-O 3.32Å; A267-L275 WeakPolarHBondContact CB-O 3.44Å; W268-L275 HydrophobicContact CD2-CB 4.02Å; W268-L275 HydrophobicContact CE3-CB 4.36Å; W268-L275 HydrophobicContact CH2-CB 4.27Å; W268-L275 HydrophobicContact CH2-CD2 4.48Å; W268-L275 HydrophobicContact CZ2-CB 3.9Å; W268-L275 HydrophobicContact CZ2-CD2 3.61Å; W268-L275 HydrophobicContact CZ2-CG 4.41Å; W268-L275 HydrophobicContact CZ3-CB 4.49Å; W268-L275 PolarHBondContact N-O 2.75Å; W268-L275 PolarHBondContact O-N 2.64Å; E270-L275 HydrophobicContact CG-CD1 3.55Å; E270-L275 HydrophobicContact CG-CD2 4.1Å; E270-L275 HydrophobicContact CG-CG 4.46Å; H273-L275 HydrophobicContact CB-CD1 3.97Å |
| 276 | I | 92.5 | Very high | 91.8 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.6 | 178.4 | -58.1 | 176.8 | 0 | 0 | 0 | 108.2 | V229 K230 E248 V249 Y264 A267 | V229-I276 CarbonylContact C-O 3.58Å; V229-I276 WeakPolarHBondContact CA-O 3.08Å; K230-I276 HydrophobicContact CB-CB 4.39Å; K230-I276 PolarHBondContact N-O 3.2Å; K230-I276 PolarHBondContact O-N 3.38Å; E248-I276 HydrophobicContact CB-CD1 4.2Å; E248-I276 HydrophobicContact CG-CD1 3.92Å; E248-I276 WeakPolarHBondContact OE2-CD1 3.39Å; V249-I276 HydrophobicContact CG2-CD1 4.03Å; V249-I276 HydrophobicContact CG2-CG1 4.23Å; Y264-I276 HydrophobicContact CD2-CG2 4.02Å; Y264-I276 HydrophobicContact CE2-CG2 4.12Å; A267-I276 HydrophobicContact CB-CG1 4.12Å |
| 277 | Q | 95.3 | Very high | 92 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.2 | 178.7 | 178.7 | -163.8 | 4.8 | 0 | 0 | 110 | F201 Y227 V229 Y265 S266 W268 | F201-Q277 HydrophobicContact CE1-CG 4.23Å; F201-Q277 HydrophobicContact CZ-CG 4.17Å; Y227-Q277 HydrophobicContact CD1-CG 3.63Å; Y227-Q277 HydrophobicContact CE1-CG 4.33Å; Y227-Q277 HydrophobicContact CG-CG 3.93Å; V229-Q277 HydrophobicContact CG2-CB 4.49Å; V229-Q277 HydrophobicContact CG2-CG 4.45Å; Y265-Q277 PolarHBondContact N-O 3.32Å; S266-Q277 VanDerWaalsContact CB-OE1 3.3Å; S266-Q277 PolarHBondContact N-O 3.37Å; S266-Q277 PolarHBondContact O-N 2.87Å; W268-Q277 HydrophobicContact CH2-CB 4.47Å; W268-Q277 HydrophobicContact CZ3-CB 3.96Å |
| 278 | N | 94.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 165.1 | 176.2 | -72.5 | -13.3 | 0 | 0 | 0 | 110.8 | Y227 A228 V262 R263 Y264 | Y227-N278 WeakPolarHBondContact CA-O 3.46Å; Y227-N278 WeakPolarHBondContact CD1-O 3.21Å; A228-N278 PolarHBondContact N-O 2.9Å; A228-N278 PolarHBondContact O-N 3.41Å; V262-N278 HydrophobicContact CG1-CB 3.89Å; R263-N278 CarbonylContact O-C 3.58Å; R263-N278 WeakPolarHBondContact O-CA 3.29Å; Y264-N278 WeakPolarHBondContact CA-OD1 3.4Å |
| 279 | E | 94.2 | Very high | 92.4 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 13% | 0.131 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 144.4 | 169.5 | 64 | -176.3 | 148.3 | 0 | 0 | 111.3 | V262 R263 Y265 K363 | V262-E279 WeakPolarHBondContact CA-OE1 3.46Å; V262-E279 HydrophobicContact CG1-CG 3.94Å; R263-E279 HydrophobicContact CB-CB 4.32Å; R263-E279 HydrophobicContact CB-CG 4.04Å; R263-E279 WeakPolarHBondContact CB-OE1 3.27Å; R263-E279 PolarHBondContact N-OE1 2.68Å; R263-E279 PolarHBondContact O-N 3Å; Y265-E279 HydrophobicContact CE2-CB 3.95Å; E279-K363 WeakPolarHBondContact OE1-CD 3.46Å; E279-K363 IonicContact OE1-NZ 2.85Å; E279-K363 PolarHBondContact OE1-NZ 3.01Å; E279-K363 IonicContact OE2-NZ 2.85Å; E279-K363 PolarHBondContact OE2-NZ 3.06Å |
| 280 | Y | 95.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | trans | -84.5 | 121.2 | 171.6 | 179.9 | -109.1 | 0 | 0 | 0 | 110.4 | V207 K217 L226 D282 | V207-Y280 HydrophobicContact CG2-CE2 4.21Å; K217-Y280 HydrophobicContact CB-CD2 4.27Å; K217-Y280 HydrophobicContact CB-CE2 3.96Å; K217-Y280 HydrophobicContact CD-CD2 4.49Å; K217-Y280 HydrophobicContact CD-CE1 4.12Å; K217-Y280 HydrophobicContact CD-CE2 3.81Å; K217-Y280 VanDerWaalsContact CE-CZ 3.46Å; K217-Y280 WeakPolarHBondContact CE-OH 3.21Å; K217-Y280 HydrophobicContact CG-CD2 3.95Å; K217-Y280 HydrophobicContact CG-CE1 4.38Å; K217-Y280 HydrophobicContact CG-CE2 3.71Å; K217-Y280 HydrophobicContact CG-CG 4.4Å; K217-Y280 PolarHBondContact NZ-OH 3.1Å; L226-Y280 HydrophobicContact CB-CD1 3.95Å; L226-Y280 HydrophobicContact CB-CG 4.19Å; L226-Y280 HydrophobicContact CD1-CD1 4.03Å; L226-Y280 HydrophobicContact CD1-CE1 4.29Å; Y280-D282 HydrophobicContact CD1-CB 4.39Å; Y280-D282 HydrophobicContact CE1-CB 4Å | ||
| 281 | C | 95.4 | Very high | 93 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.081 | 23% | 0.234 | C | C | . | . | trans | -93.2 | 109.1 | 173.1 | -61.7 | 0 | 0 | 0 | 0 | 108.9 | G283 G284 F335 I336 | C281-G283 PolarHBondContact O-N 3.31Å; C281-G284 PolarHBondContact O-N 2.84Å; C281-F335 HydrophobicContact CB-CB 3.64Å; C281-F335 HydrophobicContact CB-CD1 4.47Å; C281-F335 HydrophobicContact CB-CG 4.4Å; C281-F335 VanDerWaalsContact SG-CB 3.53Å; C281-I336 CarbonylContact C-O 3.52Å; C281-I336 WeakPolarHBondContact CB-O 3.47Å | ||
| 282 | D | 93.1 | Very high | 93.5 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -23.5 | -170.9 | 63.6 | -24.6 | 0 | 0 | 0 | 114.6 | Y280 G284 C337 Q338 | Y280-D282 HydrophobicContact CD1-CB 4.39Å; Y280-D282 HydrophobicContact CE1-CB 4Å; D282-G284 VanDerWaalsContact C-N 3.29Å; D282-G284 PolarHBondContact O-N 2.92Å; D282-C337 VanDerWaalsContact OD1-CA 3.29Å; D282-C337 WeakPolarHBondContact OD1-CA 3.27Å; D282-Q338 PolarHBondContact OD1-N 3.46Å |
| 283 | G | 92.1 | Very high | 94 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 26% | 0.258 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C281 I336 | C281-G283 PolarHBondContact O-N 3.31Å; G283-I336 VanDerWaalsContact CA-O 3.31Å; G283-I336 WeakPolarHBondContact CA-O 3.35Å; G283-I336 PolarHBondContact N-O 3.2Å |
| 284 | G | 94.5 | Very high | 94.2 | Very high | 24 Ų | 24 | 42 Ų | 42 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | trans | 71.9 | -154.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C281 D282 F335 I336 | C281-G284 PolarHBondContact O-N 2.84Å; D282-G284 VanDerWaalsContact C-N 3.29Å; D282-G284 PolarHBondContact O-N 2.92Å; G284-F335 WeakPolarHBondContact O-CA 3.31Å; G284-I336 PolarHBondContact O-N 2.9Å | ||
| 285 | S | 96.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -91.2 | 159.4 | 173 | 77 | 0 | 0 | 0 | 0 | 112.2 | S287 D288 A289 I334 | S285-S287 PolarHBondContact O-N 2.67Å; S285-S287 WeakPolarHBondContact OG-CB 3.33Å; S285-S287 PolarHBondContact OG-N 3.27Å; S285-D288 WeakPolarHBondContact CA-OD2 3.45Å; S285-D288 VanDerWaalsContact CB-OD2 3.29Å; S285-D288 WeakPolarHBondContact CB-OD2 3.44Å; S285-D288 PolarHBondContact N-OD2 2.83Å; S285-D288 WeakPolarHBondContact O-CB 3.47Å; S285-D288 PolarHBondContact O-N 2.72Å; S285-D288 VanDerWaalsContact O-N 3.07Å; S285-D288 PolarHBondContact OG-N 2.9Å; S285-D288 PolarHBondContact OG-OD2 3.3Å; S285-A289 PolarHBondContact O-N 2.78Å; S285-A289 VanDerWaalsContact O-N 3.12Å; S285-I334 CarbonylContact C-O 3.57Å; S285-I334 WeakPolarHBondContact CA-O 3.33Å |
| 286 | L | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -30.9 | 170.5 | 175.3 | 67 | 0 | 0 | 0 | 111.2 | D288 A289 I290 L300 L308 P331 I334 Y362 T409 | L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 2.84Å; L286-A289 PolarHBondContact O-N 3.08Å; L286-I290 HydrophobicContact CD1-CD1 4.13Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.8Å; L286-I290 HydrophobicContact CG-CG1 4.27Å; L286-I290 WeakPolarHBondContact O-CB 3.38Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.1Å; L286-L300 HydrophobicContact CD1-CD1 4.24Å; L286-L308 HydrophobicContact CD1-CD1 4.39Å; L286-L308 HydrophobicContact CD1-CD2 4.09Å; L286-L308 HydrophobicContact CD2-CD1 3.81Å; L286-L308 HydrophobicContact CD2-CD2 3.78Å; L286-L308 HydrophobicContact CD2-CG 4.44Å; L286-P331 HydrophobicContact CB-CB 4.37Å; L286-P331 WeakPolarHBondContact CB-O 3.25Å; L286-P331 HydrophobicContact CD2-CB 4.32Å; L286-P331 HydrophobicContact CG-CB 4.22Å; L286-P331 PolarHBondContact N-O 3.37Å; L286-I334 HydrophobicContact CB-CB 4.09Å; L286-I334 HydrophobicContact CB-CG2 4.16Å; L286-I334 HydrophobicContact CD2-CB 4.34Å; L286-I334 HydrophobicContact CD2-CD1 4.09Å; L286-I334 HydrophobicContact CD2-CG2 4.34Å; L286-I334 PolarHBondContact N-O 3.47Å; L286-Y362 HydrophobicContact CD1-CE1 4.27Å; L286-T409 HydrophobicContact CD2-CG2 3.9Å |
| 287 | S | 96.8 | Very high | 94.4 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 172.8 | -166 | 0 | 0 | 0 | 0 | 112 | S285 M291 P331 | S285-S287 PolarHBondContact O-N 2.67Å; S285-S287 WeakPolarHBondContact OG-CB 3.33Å; S285-S287 PolarHBondContact OG-N 3.27Å; S287-M291 WeakPolarHBondContact O-CB 3.34Å; S287-M291 PolarHBondContact O-N 2.99Å; S287-P331 PolarHBondContact N-O 3.07Å |
| 288 | D | 95.3 | Very high | 94.3 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 178.7 | -51.2 | -50.9 | 0 | 0 | 0 | 110.7 | S285 L286 M291 K292 | S285-D288 WeakPolarHBondContact CA-OD2 3.45Å; S285-D288 VanDerWaalsContact CB-OD2 3.29Å; S285-D288 WeakPolarHBondContact CB-OD2 3.44Å; S285-D288 PolarHBondContact N-OD2 2.83Å; S285-D288 WeakPolarHBondContact O-CB 3.47Å; S285-D288 PolarHBondContact O-N 2.72Å; S285-D288 VanDerWaalsContact O-N 3.07Å; S285-D288 PolarHBondContact OG-N 2.9Å; S285-D288 PolarHBondContact OG-OD2 3.3Å; L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 2.84Å; D288-M291 PolarHBondContact O-N 2.98Å; D288-K292 VanDerWaalsContact O-CB 3.24Å; D288-K292 WeakPolarHBondContact O-CB 3.46Å; D288-K292 PolarHBondContact O-N 3.34Å |
| 289 | A | 95.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 61 Ų | 61 | 22% | 0.223 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | S285 L286 K292 K293 I336 | S285-A289 PolarHBondContact O-N 2.78Å; S285-A289 VanDerWaalsContact O-N 3.12Å; L286-A289 PolarHBondContact O-N 3.08Å; A289-K292 PolarHBondContact O-N 2.84Å; A289-K293 PolarHBondContact O-N 3.47Å; A289-I336 HydrophobicContact CB-CD1 3.59Å |
| 290 | I | 95.7 | Very high | 94.2 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 18% | 0.179 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 175 | -67.8 | 166 | 0 | 0 | 0 | 110.2 | L286 K292 K293 S294 L300 P331 A413 | L286-I290 HydrophobicContact CD1-CD1 4.13Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.8Å; L286-I290 HydrophobicContact CG-CG1 4.27Å; L286-I290 WeakPolarHBondContact O-CB 3.38Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.1Å; I290-K292 VanDerWaalsContact C-N 3.33Å; I290-K292 PolarHBondContact O-N 2.79Å; I290-K293 PolarHBondContact O-N 2.88Å; I290-S294 VanDerWaalsContact O-CB 3.24Å; I290-S294 WeakPolarHBondContact O-CB 3.4Å; I290-S294 PolarHBondContact O-N 3.21Å; I290-L300 HydrophobicContact CG1-CD1 4.1Å; I290-P331 HydrophobicContact CD1-CB 4.12Å; I290-P331 HydrophobicContact CD1-CG 4.22Å; I290-A413 HydrophobicContact CD1-CB 3.87Å; I290-A413 HydrophobicContact CG1-CB 4.31Å |
| 291 | M | 95 | Very high | 94.1 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 62% | 0.616 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | 177.7 | -176.9 | 178.5 | -69.4 | 0 | 0 | 111.4 | S287 D288 S294 V295 | S287-M291 WeakPolarHBondContact O-CB 3.34Å; S287-M291 PolarHBondContact O-N 2.99Å; D288-M291 PolarHBondContact O-N 2.98Å; M291-S294 PolarHBondContact O-N 3.25Å; M291-V295 WeakPolarHBondContact O-CG2 3.29Å; M291-V295 PolarHBondContact O-N 2.95Å |
| 292 | K | 94.2 | Very high | 94 | Very high | 140 Ų | 140 | 64.7 Ų | 64.7 | 61% | 0.609 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.1 | -52.1 | 178.2 | -178.2 | 179.3 | 175.1 | -176.3 | 0 | 111.8 | D288 A289 I290 S294 V295 Q296 | D288-K292 VanDerWaalsContact O-CB 3.24Å; D288-K292 WeakPolarHBondContact O-CB 3.46Å; D288-K292 PolarHBondContact O-N 3.34Å; A289-K292 PolarHBondContact O-N 2.84Å; I290-K292 VanDerWaalsContact C-N 3.33Å; I290-K292 PolarHBondContact O-N 2.79Å; K292-S294 VanDerWaalsContact C-N 3.34Å; K292-S294 PolarHBondContact O-N 2.86Å; K292-V295 PolarHBondContact O-N 2.8Å; K292-Q296 WeakPolarHBondContact O-CG 3.43Å; K292-Q296 PolarHBondContact O-N 2.77Å; K292-Q296 VanDerWaalsContact O-N 3.15Å; K292-Q296 PolarHBondContact O-OE1 2.82Å |
| 293 | K | 92.5 | Very high | 93.9 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.2 | -74.4 | -148.7 | -174.4 | -164.8 | 0 | 111.4 | A289 I290 V295 Q296 G297 E298 L299 L300 E304 | A289-K293 PolarHBondContact O-N 3.47Å; I290-K293 PolarHBondContact O-N 2.88Å; K293-V295 PolarHBondContact O-N 3.03Å; K293-Q296 CarbonylContact O-C 3.59Å; K293-Q296 WeakPolarHBondContact O-CA 3.27Å; K293-Q296 WeakPolarHBondContact O-CB 3.49Å; K293-Q296 PolarHBondContact O-N 2.85Å; K293-G297 PolarHBondContact O-N 3.01Å; K293-G297 VanDerWaalsContact O-N 3.11Å; K293-E298 CarbonylContact C-O 3.59Å; K293-E298 VanDerWaalsContact C-O 3.23Å; K293-E298 HydrophobicContact CB-CB 4.09Å; K293-E298 HydrophobicContact CD-CB 4.24Å; K293-E298 HydrophobicContact CG-CB 4.39Å; K293-E298 PolarHBondContact O-N 3.45Å; K293-E298 VanDerWaalsContact O-O 3.13Å; K293-L299 WeakPolarHBondContact CD-O 3.4Å; K293-L299 PolarHBondContact NZ-O 3.46Å; K293-L300 HydrophobicContact CD-CD2 4.34Å; K293-L300 HydrophobicContact CD-CG 4.25Å; K293-E304 IonicContact NZ-OE1 2.82Å; K293-E304 PolarHBondContact NZ-OE1 3.04Å; K293-E304 IonicContact NZ-OE2 2.72Å; K293-E304 PolarHBondContact NZ-OE2 3.5Å |
| 294 | S | 91.4 | Very high | 94 | Very high | 83 Ų | 83 | 64.6 Ų | 64.6 | 58% | 0.58 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.9 | -43.5 | 178.4 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | I290 M291 K292 Q296 G297 | I290-S294 VanDerWaalsContact O-CB 3.24Å; I290-S294 WeakPolarHBondContact O-CB 3.4Å; I290-S294 PolarHBondContact O-N 3.21Å; M291-S294 PolarHBondContact O-N 3.25Å; K292-S294 VanDerWaalsContact C-N 3.34Å; K292-S294 PolarHBondContact O-N 2.86Å; S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.41Å; S294-G297 PolarHBondContact O-N 3.24Å; S294-G297 VanDerWaalsContact O-N 3.1Å |
| 295 | V | 93.1 | Very high | 94.1 | Very high | 125 Ų | 125 | 63.4 Ų | 63.4 | 76% | 0.758 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.7 | -29.8 | 174.7 | 169.9 | 0 | 0 | 0 | 0 | 112.3 | M291 K292 K293 G297 | M291-V295 WeakPolarHBondContact O-CG2 3.29Å; M291-V295 PolarHBondContact O-N 2.95Å; K292-V295 PolarHBondContact O-N 2.8Å; K293-V295 PolarHBondContact O-N 3.03Å; V295-G297 VanDerWaalsContact C-N 3.28Å |
| 296 | Q | 93.2 | Very high | 94 | Very high | 109 Ų | 109 | 64.1 Ų | 64.1 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.8 | 174.6 | -64.5 | 176 | -80.6 | 0 | 0 | 113.3 | K292 K293 S294 E298 | K292-Q296 WeakPolarHBondContact O-CG 3.43Å; K292-Q296 PolarHBondContact O-N 2.77Å; K292-Q296 VanDerWaalsContact O-N 3.15Å; K292-Q296 PolarHBondContact O-OE1 2.82Å; K293-Q296 CarbonylContact O-C 3.59Å; K293-Q296 WeakPolarHBondContact O-CA 3.27Å; K293-Q296 WeakPolarHBondContact O-CB 3.49Å; K293-Q296 PolarHBondContact O-N 2.85Å; S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.41Å; Q296-E298 HydrophobicContact CB-CG 4.25Å |
| 297 | G | 90.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 75% | 0.753 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 13.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K293 S294 V295 | K293-G297 PolarHBondContact O-N 3.01Å; K293-G297 VanDerWaalsContact O-N 3.11Å; S294-G297 PolarHBondContact O-N 3.24Å; S294-G297 VanDerWaalsContact O-N 3.1Å; V295-G297 VanDerWaalsContact C-N 3.28Å |
| 298 | E | 93.2 | Very high | 93.8 | Very high | 100 Ų | 100 | 64.4 Ų | 64.4 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | trans | -101.1 | 164.1 | -179.7 | -66.1 | -177.4 | -165.6 | 0 | 0 | 112 | K293 Q296 | K293-E298 CarbonylContact C-O 3.59Å; K293-E298 VanDerWaalsContact C-O 3.23Å; K293-E298 HydrophobicContact CB-CB 4.09Å; K293-E298 HydrophobicContact CD-CB 4.24Å; K293-E298 HydrophobicContact CG-CB 4.39Å; K293-E298 PolarHBondContact O-N 3.45Å; K293-E298 VanDerWaalsContact O-O 3.13Å; Q296-E298 HydrophobicContact CB-CG 4.25Å | ||
| 299 | L | 92.5 | Very high | 93.9 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | trans | -131.2 | 163.5 | 175.4 | -65 | 173.8 | 0 | 0 | 0 | 110.7 | K293 P438 Q439 | K293-L299 WeakPolarHBondContact CD-O 3.4Å; K293-L299 PolarHBondContact NZ-O 3.46Å; L299-P438 HydrophobicContact CD1-CB 4.26Å; L299-P438 HydrophobicContact CD1-CG 3.7Å; L299-P438 HydrophobicContact CD2-CG 4.44Å; L299-Q439 HydrophobicContact CD1-CB 4.01Å; L299-Q439 HydrophobicContact CD1-CG 4.2Å | ||
| 300 | L | 93.5 | Very high | 94 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | trans | -75.6 | 122.1 | 165.7 | -71.8 | 158.4 | 0 | 0 | 0 | 108.5 | L286 I290 K293 E304 L305 A413 Q439 | L286-L300 HydrophobicContact CD1-CD1 4.24Å; I290-L300 HydrophobicContact CG1-CD1 4.1Å; K293-L300 HydrophobicContact CD-CD2 4.34Å; K293-L300 HydrophobicContact CD-CG 4.25Å; L300-E304 WeakPolarHBondContact CA-OE2 3.46Å; L300-E304 HydrophobicContact CB-CB 4.34Å; L300-E304 HydrophobicContact CD2-CB 3.87Å; L300-E304 HydrophobicContact CD2-CG 4.39Å; L300-L305 HydrophobicContact CB-CD2 3.73Å; L300-L305 HydrophobicContact CB-CG 4.08Å; L300-L305 HydrophobicContact CD1-CD2 4.45Å; L300-L305 WeakPolarHBondContact O-CD1 3.31Å; L300-A413 HydrophobicContact CD1-CB 3.77Å; L300-Q439 PolarHBondContact O-NE2 3.34Å; L300-Q439 PolarHBondContact O-OE1 2.96Å | ||
| 301 | L | 94 | Very high | 94 | Very high | 112 Ų | 112 | 58 Ų | 58 | 59% | 0.586 | 32% | 0.321 | S | S | * | . | trans | -69.2 | 157.2 | 178.5 | -61.5 | 176.3 | 0 | 0 | 0 | 110.6 | A303 E304 L305 | L301-A303 PolarHBondContact O-N 3.3Å; L301-E304 PolarHBondContact N-OE2 3.25Å; L301-E304 WeakPolarHBondContact O-CA 3.43Å; L301-E304 WeakPolarHBondContact O-CB 3.22Å; L301-E304 PolarHBondContact O-N 3.22Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.38Å | ||
| 302 | E | 94.1 | Very high | 94.2 | Very high | 43 Ų | 43 | 52 Ų | 52 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -49.6 | -35.1 | 177.3 | -174.3 | 176.5 | 145 | 0 | 0 | 113.4 | L305 K306 L441 S442 F445 | E302-L305 PolarHBondContact O-N 2.94Å; E302-K306 HydrophobicContact CG-CD 4.1Å; E302-K306 HydrophobicContact CG-CG 4.26Å; E302-K306 WeakPolarHBondContact O-CB 3.34Å; E302-K306 VanDerWaalsContact O-CG 3.31Å; E302-K306 WeakPolarHBondContact O-CG 3.5Å; E302-K306 PolarHBondContact O-N 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.44Å; E302-K306 IonicContact OE1-NZ 2.82Å; E302-K306 PolarHBondContact OE1-NZ 3.13Å; E302-L441 HydrophobicContact CB-CD2 3.89Å; E302-L441 HydrophobicContact CG-CD2 4.3Å; E302-S442 WeakPolarHBondContact OE1-CB 3.21Å; E302-S442 PolarHBondContact OE1-OG 3.42Å; E302-S442 WeakPolarHBondContact OE2-CB 3.44Å; E302-S442 PolarHBondContact OE2-N 2.9Å; E302-S442 PolarHBondContact OE2-OG 2.93Å; E302-F445 HydrophobicContact CG-CD1 3.79Å; E302-F445 HydrophobicContact CG-CE1 4.26Å; E302-F445 HydrophobicContact CG-CG 4.33Å |
| 303 | A | 91.2 | Very high | 94.4 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 35% | 0.347 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L301 D307 | L301-A303 PolarHBondContact O-N 3.3Å; A303-D307 PolarHBondContact O-N 2.99Å; A303-D307 VanDerWaalsContact O-N 3.17Å |
| 304 | E | 93.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 47 Ų | 47 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.7 | -38 | 176.8 | -60.4 | 172.5 | 106.8 | 0 | 0 | 110.6 | K293 L300 L301 D307 L308 | K293-E304 IonicContact NZ-OE1 2.82Å; K293-E304 PolarHBondContact NZ-OE1 3.04Å; K293-E304 IonicContact NZ-OE2 2.72Å; K293-E304 PolarHBondContact NZ-OE2 3.5Å; L300-E304 WeakPolarHBondContact CA-OE2 3.46Å; L300-E304 HydrophobicContact CB-CB 4.34Å; L300-E304 HydrophobicContact CD2-CB 3.87Å; L300-E304 HydrophobicContact CD2-CG 4.39Å; L301-E304 PolarHBondContact N-OE2 3.25Å; L301-E304 WeakPolarHBondContact O-CA 3.43Å; L301-E304 WeakPolarHBondContact O-CB 3.22Å; L301-E304 PolarHBondContact O-N 3.22Å; E304-D307 PolarHBondContact O-N 2.87Å; E304-L308 VanDerWaalsContact O-CB 3.27Å; E304-L308 WeakPolarHBondContact O-CB 3.49Å; E304-L308 PolarHBondContact O-N 2.96Å |
| 305 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.6 | -63.5 | 172.2 | 0 | 0 | 0 | 112.6 | L300 L301 E302 L309 V410 A413 A414 L441 F445 | L300-L305 HydrophobicContact CB-CD2 3.73Å; L300-L305 HydrophobicContact CB-CG 4.08Å; L300-L305 HydrophobicContact CD1-CD2 4.45Å; L300-L305 WeakPolarHBondContact O-CD1 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.38Å; E302-L305 PolarHBondContact O-N 2.94Å; L305-L309 WeakPolarHBondContact O-CB 3.41Å; L305-L309 PolarHBondContact O-N 3.02Å; L305-V410 HydrophobicContact CB-CG1 4.3Å; L305-V410 HydrophobicContact CD2-CG1 4.29Å; L305-A413 HydrophobicContact CD2-CB 3.57Å; L305-A414 HydrophobicContact CD1-CB 3.62Å; L305-A414 HydrophobicContact CD2-CB 4.27Å; L305-L441 HydrophobicContact CD1-CD1 4.3Å; L305-L441 HydrophobicContact CD1-CD2 3.92Å; L305-F445 HydrophobicContact CB-CE1 3.79Å; L305-F445 HydrophobicContact CB-CZ 3.86Å; L305-F445 HydrophobicContact CD1-CE1 4.23Å |
| 306 | K | 95.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 37 Ų | 37 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 174.3 | -78.5 | 178.4 | 168.7 | -177 | 0 | 111.5 | E302 L310 F445 V471 L472 E474 | E302-K306 HydrophobicContact CG-CD 4.1Å; E302-K306 HydrophobicContact CG-CG 4.26Å; E302-K306 WeakPolarHBondContact O-CB 3.34Å; E302-K306 VanDerWaalsContact O-CG 3.31Å; E302-K306 WeakPolarHBondContact O-CG 3.5Å; E302-K306 PolarHBondContact O-N 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.44Å; E302-K306 IonicContact OE1-NZ 2.82Å; E302-K306 PolarHBondContact OE1-NZ 3.13Å; K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 PolarHBondContact O-N 2.71Å; K306-F445 HydrophobicContact CG-CD2 3.91Å; K306-F445 HydrophobicContact CG-CE2 3.77Å; K306-F445 HydrophobicContact CG-CG 4.37Å; K306-F445 HydrophobicContact CG-CZ 4.12Å; K306-V471 VanDerWaalsContact CD-O 3.27Å; K306-V471 WeakPolarHBondContact CD-O 3.44Å; K306-V471 VanDerWaalsContact CE-CG1 3.46Å; K306-V471 WeakPolarHBondContact CE-O 3.38Å; K306-V471 PolarHBondContact NZ-O 3.05Å; K306-L472 HydrophobicContact CB-CD2 4.13Å; K306-L472 HydrophobicContact CG-CD2 3.99Å; K306-E474 IonicContact NZ-OE2 2.81Å; K306-E474 PolarHBondContact NZ-OE2 3.12Å |
| 307 | D | 93.2 | Very high | 95.4 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.1 | -46.3 | 177.2 | -174.7 | 65.1 | 0 | 0 | 0 | 112 | A303 E304 L309 L310 Q311 | A303-D307 PolarHBondContact O-N 2.99Å; A303-D307 VanDerWaalsContact O-N 3.17Å; E304-D307 PolarHBondContact O-N 2.87Å; D307-L309 PolarHBondContact O-N 3.44Å; D307-L310 PolarHBondContact O-N 2.76Å; D307-Q311 WeakPolarHBondContact O-CB 3.33Å; D307-Q311 VanDerWaalsContact O-CG 3.31Å; D307-Q311 WeakPolarHBondContact O-CG 3.49Å; D307-Q311 PolarHBondContact O-N 2.74Å; D307-Q311 PolarHBondContact OD1-NE2 3.02Å; D307-Q311 PolarHBondContact OD2-NE2 3.06Å |
| 308 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -51.4 | -52.8 | 170.6 | 166.8 | 63.8 | 0 | 0 | 0 | 111.3 | L286 E304 L310 Q311 V312 I334 Y362 V410 A413 | L286-L308 HydrophobicContact CD1-CD1 4.39Å; L286-L308 HydrophobicContact CD1-CD2 4.09Å; L286-L308 HydrophobicContact CD2-CD1 3.81Å; L286-L308 HydrophobicContact CD2-CD2 3.78Å; L286-L308 HydrophobicContact CD2-CG 4.44Å; E304-L308 VanDerWaalsContact O-CB 3.27Å; E304-L308 WeakPolarHBondContact O-CB 3.49Å; E304-L308 PolarHBondContact O-N 2.96Å; L308-L310 PolarHBondContact O-N 2.71Å; L308-Q311 PolarHBondContact O-N 2.77Å; L308-V312 HydrophobicContact CD1-CG2 3.81Å; L308-V312 VanDerWaalsContact O-CG2 3.31Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 3.42Å; L308-I334 HydrophobicContact CD1-CG2 4.35Å; L308-Y362 HydrophobicContact CB-CD2 4.26Å; L308-Y362 HydrophobicContact CB-CE2 3.93Å; L308-Y362 HydrophobicContact CD1-CD1 3.58Å; L308-Y362 HydrophobicContact CD1-CD2 4.11Å; L308-Y362 HydrophobicContact CD1-CE1 3.84Å; L308-Y362 HydrophobicContact CD1-CE2 4.34Å; L308-Y362 HydrophobicContact CD1-CG 3.72Å; L308-V410 HydrophobicContact CD2-CG2 4.38Å; L308-A413 HydrophobicContact CD2-CB 3.78Å |
| 309 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 179.6 | -179.7 | 57.4 | 0 | 0 | 0 | 110.5 | L305 D307 Q311 V312 V313 L406 V410 F445 L448 L452 L466 L472 | L305-L309 WeakPolarHBondContact O-CB 3.41Å; L305-L309 PolarHBondContact O-N 3.02Å; D307-L309 PolarHBondContact O-N 3.44Å; L309-Q311 PolarHBondContact O-N 2.61Å; L309-V312 PolarHBondContact O-N 2.6Å; L309-V313 HydrophobicContact CD1-CG2 3.7Å; L309-V313 HydrophobicContact CG-CG2 4.2Å; L309-V313 VanDerWaalsContact O-CB 3.23Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 WeakPolarHBondContact O-CG2 3.42Å; L309-V313 PolarHBondContact O-N 3.06Å; L309-L406 HydrophobicContact CD1-CD1 4.4Å; L309-L406 HydrophobicContact CD1-CD2 3.71Å; L309-L406 HydrophobicContact CD1-CG 3.73Å; L309-V410 HydrophobicContact CB-CG2 4.11Å; L309-V410 HydrophobicContact CD1-CG2 4.09Å; L309-F445 HydrophobicContact CD2-CE2 3.94Å; L309-L448 HydrophobicContact CD2-CD2 4.21Å; L309-L452 HydrophobicContact CD1-CD1 4.11Å; L309-L452 HydrophobicContact CD2-CD1 4.35Å; L309-L466 HydrophobicContact CD1-CD2 4.31Å; L309-L472 HydrophobicContact CD2-CD1 4.06Å; L309-L472 HydrophobicContact CD2-CD2 4.04Å; L309-L472 HydrophobicContact CG-CD1 4.06Å |
| 310 | L | 96.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 28.9 Ų | 28.9 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | -179.1 | -179.7 | 60.8 | 0 | 0 | 0 | 112.4 | K306 D307 L308 V313 M314 L472 | K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 PolarHBondContact O-N 2.71Å; D307-L310 PolarHBondContact O-N 2.76Å; L308-L310 PolarHBondContact O-N 2.71Å; L310-V313 PolarHBondContact O-N 3.43Å; L310-M314 HydrophobicContact CD1-SD 4.45Å; L310-M314 HydrophobicContact CG-SD 4.28Å; L310-M314 VanDerWaalsContact O-CG 3.31Å; L310-M314 WeakPolarHBondContact O-CG 3.22Å; L310-M314 PolarHBondContact O-N 2.79Å; L310-L472 HydrophobicContact CB-CB 4.5Å; L310-L472 HydrophobicContact CB-CD1 4.49Å; L310-L472 HydrophobicContact CD1-CB 4.36Å |
| 311 | Q | 96.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | -179.1 | -71.2 | -161.4 | 42.1 | 0 | 0 | 112 | H260 D307 L308 L309 M314 G315 V360 L361 Y362 | H260-Q311 VanDerWaalsContact CB-O 3.31Å; H260-Q311 WeakPolarHBondContact CB-O 3.43Å; H260-Q311 PolarHBondContact CE1-OE1 3.03Å; H260-Q311 VanDerWaalsContact CG-O 3.26Å; H260-Q311 PolarHBondContact ND1-OE1 3.44Å; D307-Q311 WeakPolarHBondContact O-CB 3.33Å; D307-Q311 VanDerWaalsContact O-CG 3.31Å; D307-Q311 WeakPolarHBondContact O-CG 3.49Å; D307-Q311 PolarHBondContact O-N 2.74Å; D307-Q311 PolarHBondContact OD1-NE2 3.02Å; D307-Q311 PolarHBondContact OD2-NE2 3.06Å; L308-Q311 PolarHBondContact O-N 2.77Å; L309-Q311 PolarHBondContact O-N 2.61Å; Q311-M314 WeakPolarHBondContact O-CB 3.42Å; Q311-M314 PolarHBondContact O-N 3.14Å; Q311-G315 PolarHBondContact O-N 2.59Å; Q311-G315 VanDerWaalsContact O-N 3.15Å; Q311-V360 PolarHBondContact NE2-O 2.75Å; Q311-L361 VanDerWaalsContact OE1-CA 3.27Å; Q311-Y362 HydrophobicContact CB-CD2 4.16Å; Q311-Y362 HydrophobicContact CG-CD2 4.35Å |
| 312 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L308 L309 M314 G315 L316 I334 I364 L406 | L308-V312 HydrophobicContact CD1-CG2 3.81Å; L308-V312 VanDerWaalsContact O-CG2 3.31Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 3.42Å; L309-V312 PolarHBondContact O-N 2.6Å; V312-M314 VanDerWaalsContact C-N 3.3Å; V312-M314 PolarHBondContact O-N 3.13Å; V312-G315 CarbonylContact O-C 3.53Å; V312-G315 WeakPolarHBondContact O-CA 3.48Å; V312-G315 PolarHBondContact O-N 3.27Å; V312-G315 VanDerWaalsContact O-N 3.07Å; V312-L316 PolarHBondContact O-N 2.79Å; V312-I334 HydrophobicContact CG1-CD1 4.16Å; V312-I334 HydrophobicContact CG2-CD1 4.02Å; V312-I334 HydrophobicContact CG2-CG1 4.31Å; V312-I334 HydrophobicContact CG2-CG2 3.99Å; V312-I364 HydrophobicContact CG1-CD1 4.01Å; V312-I364 HydrophobicContact CG1-CG1 3.96Å; V312-L406 HydrophobicContact CB-CD1 3.99Å; V312-L406 HydrophobicContact CB-CD2 4.21Å; V312-L406 HydrophobicContact CG1-CD1 3.59Å; V312-L406 HydrophobicContact CG1-CD2 3.86Å; V312-L406 HydrophobicContact CG1-CG 4.38Å |
| 313 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 172.5 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | L309 L310 G315 L316 K317 M403 L406 A463 L466 | L309-V313 HydrophobicContact CD1-CG2 3.7Å; L309-V313 HydrophobicContact CG-CG2 4.2Å; L309-V313 VanDerWaalsContact O-CB 3.23Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 WeakPolarHBondContact O-CG2 3.42Å; L309-V313 PolarHBondContact O-N 3.06Å; L310-V313 PolarHBondContact O-N 3.43Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 3.16Å; V313-L316 PolarHBondContact O-N 3.39Å; V313-K317 VanDerWaalsContact O-CB 3.26Å; V313-K317 WeakPolarHBondContact O-CB 3.1Å; V313-K317 PolarHBondContact O-N 3.44Å; V313-M403 HydrophobicContact CG2-CE 4.29Å; V313-L406 HydrophobicContact CG2-CD2 3.54Å; V313-A463 HydrophobicContact CG1-CB 4.16Å; V313-A463 VanDerWaalsContact CG1-O 3.26Å; V313-A463 WeakPolarHBondContact CG1-O 3.43Å; V313-L466 HydrophobicContact CG1-CB 3.84Å; V313-L466 HydrophobicContact CG1-CD2 4.29Å; V313-L466 HydrophobicContact CG1-CG 4.04Å; V313-L466 HydrophobicContact CG2-CD2 3.51Å; V313-L466 HydrophobicContact CG2-CG 3.94Å |
| 314 | M | 97.4 | Very high | 96.8 | Very high | 72 Ų | 72 | 30.6 Ų | 30.6 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 172.6 | -73.1 | 171.5 | 59.9 | 0 | 0 | 111.5 | H258 L310 Q311 V312 F318 | H258-M314 PolarHBondContact CE1-O 2.96Å; H258-M314 VanDerWaalsContact CE1-O 3.24Å; L310-M314 HydrophobicContact CD1-SD 4.45Å; L310-M314 HydrophobicContact CG-SD 4.28Å; L310-M314 VanDerWaalsContact O-CG 3.31Å; L310-M314 WeakPolarHBondContact O-CG 3.22Å; L310-M314 PolarHBondContact O-N 2.79Å; Q311-M314 WeakPolarHBondContact O-CB 3.42Å; Q311-M314 PolarHBondContact O-N 3.14Å; V312-M314 VanDerWaalsContact C-N 3.3Å; V312-M314 PolarHBondContact O-N 3.13Å; M314-F318 PolarHBondContact O-N 2.97Å |
| 315 | G | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -49.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q311 V312 V313 K317 F318 I319 | Q311-G315 PolarHBondContact O-N 2.59Å; Q311-G315 VanDerWaalsContact O-N 3.15Å; V312-G315 CarbonylContact O-C 3.53Å; V312-G315 WeakPolarHBondContact O-CA 3.48Å; V312-G315 PolarHBondContact O-N 3.27Å; V312-G315 VanDerWaalsContact O-N 3.07Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 3.16Å; G315-K317 PolarHBondContact O-N 2.82Å; G315-F318 WeakPolarHBondContact O-CB 3.43Å; G315-F318 PolarHBondContact O-N 2.97Å; G315-F318 VanDerWaalsContact O-N 3.16Å; G315-I319 WeakPolarHBondContact O-CG1 3.42Å; G315-I319 PolarHBondContact O-N 3.14Å |
| 316 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 177.2 | -75.6 | -179.1 | 0 | 0 | 0 | 112.3 | V312 V313 F318 I319 H320 H326 I329 I364 D402 M403 L406 A463 | V312-L316 PolarHBondContact O-N 2.79Å; V313-L316 PolarHBondContact O-N 3.39Å; L316-F318 PolarHBondContact O-N 2.88Å; L316-I319 PolarHBondContact O-N 3.24Å; L316-I319 VanDerWaalsContact O-N 3.13Å; L316-H320 WeakPolarHBondContact O-CB 3.33Å; L316-H320 PolarHBondContact O-CD2 3.48Å; L316-H320 PolarHBondContact O-N 2.93Å; L316-H326 HydrophobicContact CD2-CB 4.33Å; L316-I329 HydrophobicContact CD2-CD1 3.84Å; L316-I329 HydrophobicContact CD2-CG1 4.06Å; L316-I364 HydrophobicContact CD2-CD1 3.9Å; L316-I364 HydrophobicContact CG-CD1 3.87Å; L316-D402 HydrophobicContact CD1-CB 3.97Å; L316-D402 HydrophobicContact CD2-CB 3.82Å; L316-M403 HydrophobicContact CD1-SD 3.95Å; L316-L406 HydrophobicContact CD1-CB 4.4Å; L316-L406 HydrophobicContact CD1-CD2 3.76Å; L316-A463 HydrophobicContact CB-CB 4.04Å |
| 317 | K | 98.2 | Very high | 97.1 | Very high | 99 Ų | 99 | 27.3 Ų | 27.3 | 43% | 0.43 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -55.1 | -39.5 | 175.3 | 176.3 | -167.9 | 159.8 | -151.3 | 0 | 111.4 | V313 G315 S321 A463 C467 | V313-K317 VanDerWaalsContact O-CB 3.26Å; V313-K317 WeakPolarHBondContact O-CB 3.1Å; V313-K317 PolarHBondContact O-N 3.44Å; G315-K317 PolarHBondContact O-N 2.82Å; K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 2.91Å; K317-S321 VanDerWaalsContact O-N 3.14Å; K317-A463 HydrophobicContact CB-CB 3.81Å; K317-C467 HydrophobicContact CD-CB 4.4Å; K317-C467 VanDerWaalsContact CD-SG 3.56Å |
| 318 | F | 97.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 25 Ų | 25 | 16% | 0.158 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.8 | -53 | 175.7 | -178.1 | -101.2 | 0 | 0 | 0 | 110.8 | L255 H258 V261 M314 G315 L316 H320 S321 Y322 | L255-F318 HydrophobicContact CB-CE1 4.2Å; L255-F318 HydrophobicContact CD2-CD1 4.25Å; L255-F318 HydrophobicContact CD2-CE1 4.15Å; L255-F318 WeakPolarHBondContact O-CE1 3.32Å; L255-F318 WeakPolarHBondContact O-CZ 3.46Å; H258-F318 HydrophobicContact CB-CB 4.5Å; H258-F318 HydrophobicContact CB-CD1 3.52Å; H258-F318 HydrophobicContact CB-CD2 4.07Å; H258-F318 HydrophobicContact CB-CE1 3.55Å; H258-F318 HydrophobicContact CB-CE2 4.09Å; H258-F318 HydrophobicContact CB-CG 3.78Å; H258-F318 HydrophobicContact CB-CZ 3.84Å; H258-F318 AromaticContact CD2-CD2 3.56Å; H258-F318 AromaticContact CD2-CG 3.65Å; H258-F318 AromaticContact CG-CD1 3.83Å; H258-F318 AromaticContact CG-CD2 3.91Å; H258-F318 AromaticContact CG-CG 3.6Å; V261-F318 HydrophobicContact CG2-CD1 4.27Å; M314-F318 PolarHBondContact O-N 2.97Å; G315-F318 WeakPolarHBondContact O-CB 3.43Å; G315-F318 PolarHBondContact O-N 2.97Å; G315-F318 VanDerWaalsContact O-N 3.16Å; L316-F318 PolarHBondContact O-N 2.88Å; F318-H320 PolarHBondContact O-N 3.43Å; F318-S321 PolarHBondContact O-N 3.15Å; F318-S321 PolarHBondContact O-OG 3.4Å; F318-Y322 HydrophobicContact CD2-CE2 4.19Å; F318-Y322 HydrophobicContact CE1-CE2 4.02Å; F318-Y322 AromaticContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CZ-CD2 4.49Å; F318-Y322 AromaticContact CZ-CE2 3.59Å; F318-Y322 HydrophobicContact CZ-CE2 3.59Å; F318-Y322 WeakPolarHBondContact O-CD2 3.01Å |
| 319 | I | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 179.1 | -64 | 168.4 | 0 | 0 | 0 | 111.3 | L255 V261 G315 L316 S321 Y322 L324 I364 | L255-I319 HydrophobicContact CD1-CG1 4.11Å; L255-I319 HydrophobicContact CD2-CB 4.3Å; L255-I319 HydrophobicContact CD2-CG1 4.07Å; L255-I319 HydrophobicContact CD2-CG2 4.47Å; V261-I319 HydrophobicContact CG2-CD1 4.18Å; V261-I319 HydrophobicContact CG2-CG1 4.18Å; G315-I319 WeakPolarHBondContact O-CG1 3.42Å; G315-I319 PolarHBondContact O-N 3.14Å; L316-I319 PolarHBondContact O-N 3.24Å; L316-I319 VanDerWaalsContact O-N 3.13Å; I319-S321 VanDerWaalsContact C-N 3.26Å; I319-S321 PolarHBondContact O-N 2.94Å; I319-Y322 PolarHBondContact O-N 2.84Å; I319-Y322 VanDerWaalsContact O-N 3.13Å; I319-L324 HydrophobicContact CG2-CB 3.9Å; I319-L324 PolarHBondContact O-N 2.85Å; I319-I364 HydrophobicContact CD1-CD1 4.05Å; I319-I364 HydrophobicContact CD1-CG2 4.2Å |
| 320 | H | 97.9 | Very high | 97.3 | Very high | 35 Ų | 35 | 26.5 Ų | 26.5 | 16% | 0.162 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -30.3 | 178.7 | -62.7 | 172.1 | 0 | 0 | 0 | 112.8 | L316 F318 Y322 G323 L324 P399 D402 | L316-H320 WeakPolarHBondContact O-CB 3.33Å; L316-H320 PolarHBondContact O-CD2 3.48Å; L316-H320 PolarHBondContact O-N 2.93Å; F318-H320 PolarHBondContact O-N 3.43Å; H320-Y322 VanDerWaalsContact C-N 3.26Å; H320-Y322 PolarHBondContact O-N 2.94Å; H320-G323 PolarHBondContact O-N 2.79Å; H320-G323 VanDerWaalsContact O-N 3.08Å; H320-L324 WeakPolarHBondContact CA-O 3.14Å; H320-L324 PolarHBondContact CD2-O 3.07Å; H320-P399 PolarHBondContact CE1-O 2.78Å; H320-P399 VanDerWaalsContact CE1-O 3.24Å; H320-D402 IonicContact CD2-OD2 3.9Å; H320-D402 IonicContact CE1-OD2 2.63Å; H320-D402 IonicContact NE2-OD2 3.5Å; H320-D402 PolarHBondContact NE2-OD2 2.68Å |
| 321 | S | 96.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 26.4 Ų | 26.4 | 62% | 0.615 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -69.7 | -19.4 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 114.4 | K317 F318 I319 G323 | K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 2.91Å; K317-S321 VanDerWaalsContact O-N 3.14Å; F318-S321 PolarHBondContact O-N 3.15Å; F318-S321 PolarHBondContact O-OG 3.4Å; I319-S321 VanDerWaalsContact C-N 3.26Å; I319-S321 PolarHBondContact O-N 2.94Å; S321-G323 VanDerWaalsContact C-N 3.3Å |
| 322 | Y | 96.1 | Very high | 97.4 | Very high | 113 Ų | 113 | 28.5 Ų | 28.5 | 44% | 0.443 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 6.3 | 171.2 | -75.2 | -98.1 | 0 | 0 | 0 | 113 | V254 L255 F318 I319 H320 L324 | V254-Y322 HydrophobicContact CG1-CD1 3.91Å; V254-Y322 WeakPolarHBondContact O-CE1 3.35Å; L255-Y322 HydrophobicContact CD2-CD2 4.02Å; L255-Y322 HydrophobicContact CD2-CG 4.2Å; F318-Y322 HydrophobicContact CD2-CE2 4.19Å; F318-Y322 HydrophobicContact CE1-CE2 4.02Å; F318-Y322 AromaticContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CZ-CD2 4.49Å; F318-Y322 AromaticContact CZ-CE2 3.59Å; F318-Y322 HydrophobicContact CZ-CE2 3.59Å; F318-Y322 WeakPolarHBondContact O-CD2 3.01Å; I319-Y322 PolarHBondContact O-N 2.84Å; I319-Y322 VanDerWaalsContact O-N 3.13Å; H320-Y322 VanDerWaalsContact C-N 3.26Å; H320-Y322 PolarHBondContact O-N 2.94Å; Y322-L324 VanDerWaalsContact C-N 3.25Å; Y322-L324 PolarHBondContact O-N 3.5Å |
| 323 | G | 95.9 | Very high | 97.4 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 32% | 0.32 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 25.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | H320 S321 S372 V373 | H320-G323 PolarHBondContact O-N 2.79Å; H320-G323 VanDerWaalsContact O-N 3.08Å; S321-G323 VanDerWaalsContact C-N 3.3Å; G323-S372 WeakPolarHBondContact O-CA 3.34Å; G323-V373 PolarHBondContact O-N 3.15Å |
| 324 | L | 96.7 | Very high | 97.4 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 159.7 | 176.2 | -61.6 | 177.7 | 0 | 0 | 0 | 110.6 | V254 L255 I319 H320 Y322 V370 T371 | V254-L324 HydrophobicContact CB-CD1 4.37Å; V254-L324 HydrophobicContact CG1-CD1 3.98Å; L255-L324 HydrophobicContact CD1-CD1 4.42Å; L255-L324 HydrophobicContact CD2-CD1 3.97Å; L255-L324 HydrophobicContact CG-CD1 3.95Å; I319-L324 HydrophobicContact CG2-CB 3.9Å; I319-L324 PolarHBondContact O-N 2.85Å; H320-L324 WeakPolarHBondContact CA-O 3.14Å; H320-L324 PolarHBondContact CD2-O 3.07Å; Y322-L324 VanDerWaalsContact C-N 3.25Å; Y322-L324 PolarHBondContact O-N 3.5Å; L324-V370 HydrophobicContact CB-CG1 4.09Å; L324-V370 HydrophobicContact CD1-CG1 4.17Å; L324-V370 HydrophobicContact CD2-CG1 4.25Å; L324-V370 HydrophobicContact CG-CG1 4.41Å; L324-T371 WeakPolarHBondContact CA-O 3.37Å |
| 325 | V | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.2 | 173.4 | -74.4 | 0 | 0 | 0 | 0 | 110 | L327 V370 T371 V373 L398 P399 | V325-L327 HydrophobicContact CB-CD2 4.06Å; V325-L327 HydrophobicContact CB-CG 4.23Å; V325-L327 HydrophobicContact CG2-CD1 4.03Å; V325-L327 HydrophobicContact CG2-CD2 3.91Å; V325-L327 HydrophobicContact CG2-CG 3.83Å; V325-V370 VanDerWaalsContact O-CA 3.27Å; V325-V370 WeakPolarHBondContact O-CA 3.43Å; V325-T371 HydrophobicContact CG2-CG2 3.73Å; V325-T371 WeakPolarHBondContact CG2-O 3.37Å; V325-T371 PolarHBondContact N-O 3.24Å; V325-T371 PolarHBondContact O-N 3.21Å; V325-V373 HydrophobicContact CG1-CG2 3.61Å; V325-V373 HydrophobicContact CG2-CG2 4.48Å; V325-L398 HydrophobicContact CB-CB 4.42Å; V325-L398 HydrophobicContact CG1-CB 3.95Å; V325-L398 HydrophobicContact CG2-CB 4.05Å; V325-L398 HydrophobicContact CG2-CD1 4.14Å; V325-P399 HydrophobicContact CG1-CB 4.15Å; V325-P399 HydrophobicContact CG1-CG 3.69Å |
| 326 | H | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -88.8 | -44.2 | -172.8 | -167.8 | -85.1 | 0 | 0 | 0 | 113.6 | L316 D328 I329 I364 G365 H369 D402 | L316-H326 HydrophobicContact CD2-CB 4.33Å; H326-D328 PolarHBondContact CE1-O 2.91Å; H326-D328 VanDerWaalsContact ND1-C 3.3Å; H326-D328 PolarHBondContact ND1-N 3.41Å; H326-D328 PolarHBondContact ND1-O 2.95Å; H326-D328 PolarHBondContact O-N 2.93Å; H326-I329 HydrophobicContact CB-CD1 3.87Å; H326-I329 HydrophobicContact CB-CG1 3.92Å; H326-I329 WeakPolarHBondContact ND1-CD1 3.46Å; H326-I329 PolarHBondContact ND1-N 3.17Å; H326-I364 WeakPolarHBondContact CD2-CG2 3.4Å; H326-I364 VanDerWaalsContact NE2-CG2 3.3Å; H326-I364 WeakPolarHBondContact NE2-CG2 3.06Å; H326-G365 PolarHBondContact NE2-O 3.14Å; H326-H369 CarbonylContact O-C 3.57Å; H326-H369 WeakPolarHBondContact O-CB 3.19Å; H326-D402 PolarHBondContact N-OD1 2.99Å; H326-D402 PolarHBondContact N-OD2 3.37Å | ||
| 327 | L | 96.8 | Very high | 97 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 62.2 | -12.1 | 177.6 | -52.6 | -175.6 | 0 | 0 | 0 | 117.5 | V325 H369 T371 V378 L398 A401 D402 | V325-L327 HydrophobicContact CB-CD2 4.06Å; V325-L327 HydrophobicContact CB-CG 4.23Å; V325-L327 HydrophobicContact CG2-CD1 4.03Å; V325-L327 HydrophobicContact CG2-CD2 3.91Å; V325-L327 HydrophobicContact CG2-CG 3.83Å; L327-H369 HydrophobicContact CB-CB 4.4Å; L327-T371 HydrophobicContact CD1-CG2 3.68Å; L327-V378 HydrophobicContact CD1-CB 4.5Å; L327-V378 HydrophobicContact CD1-CG1 4.09Å; L327-V378 HydrophobicContact CD1-CG2 4.08Å; L327-L398 HydrophobicContact CD2-CB 4.47Å; L327-L398 HydrophobicContact CD2-CD2 4.06Å; L327-A401 HydrophobicContact CD2-CB 4.47Å; L327-D402 WeakPolarHBondContact CA-OD1 3.16Å; L327-D402 PolarHBondContact N-OD1 3Å |
| 328 | D | 96.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | trans | -125.6 | 50 | 173.4 | -163.4 | 40.9 | 0 | 0 | 0 | 112.5 | H326 K330 N333 H369 D382 | H326-D328 PolarHBondContact CE1-O 2.91Å; H326-D328 VanDerWaalsContact ND1-C 3.3Å; H326-D328 PolarHBondContact ND1-N 3.41Å; H326-D328 PolarHBondContact ND1-O 2.95Å; H326-D328 PolarHBondContact O-N 2.93Å; D328-K330 PolarHBondContact O-N 3.42Å; D328-K330 WeakPolarHBondContact OD1-CE 3.44Å; D328-K330 IonicContact OD1-NZ 2.72Å; D328-K330 PolarHBondContact OD1-NZ 2.89Å; D328-K330 WeakPolarHBondContact OD2-CE 3.33Å; D328-K330 IonicContact OD2-NZ 2.67Å; D328-K330 PolarHBondContact OD2-NZ 3.47Å; D328-N333 PolarHBondContact O-ND2 2.98Å; D328-N333 PolarHBondContact OD2-ND2 3.13Å; D328-H369 HydrophobicContact CB-CB 3.98Å; D328-D382 PolarHBondContact OD1-N 3.43Å | ||
| 329 | I | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -77 | 117.8 | 173.9 | -64.9 | -67.7 | 0 | 0 | 0 | 109.7 | L316 H326 I364 D402 A405 L406 | L316-I329 HydrophobicContact CD2-CD1 3.84Å; L316-I329 HydrophobicContact CD2-CG1 4.06Å; H326-I329 HydrophobicContact CB-CD1 3.87Å; H326-I329 HydrophobicContact CB-CG1 3.92Å; H326-I329 WeakPolarHBondContact ND1-CD1 3.46Å; H326-I329 PolarHBondContact ND1-N 3.17Å; I329-I364 HydrophobicContact CD1-CD1 4.18Å; I329-I364 HydrophobicContact CD1-CG1 4.38Å; I329-I364 HydrophobicContact CD1-CG2 3.82Å; I329-D402 HydrophobicContact CG1-CB 4.39Å; I329-A405 HydrophobicContact CB-CB 3.97Å; I329-A405 HydrophobicContact CG2-CB 4.42Å; I329-L406 HydrophobicContact CG2-CB 4.16Å; I329-L406 HydrophobicContact CG2-CD1 4.39Å | ||
| 330 | K | 98 | Very high | 92.8 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -161.6 | 164.1 | 179.6 | 60.5 | -169.8 | 179.2 | -151 | 0 | 110.8 | D328 S332 N333 I334 D382 F385 | D328-K330 PolarHBondContact O-N 3.42Å; D328-K330 WeakPolarHBondContact OD1-CE 3.44Å; D328-K330 IonicContact OD1-NZ 2.72Å; D328-K330 PolarHBondContact OD1-NZ 2.89Å; D328-K330 WeakPolarHBondContact OD2-CE 3.33Å; D328-K330 IonicContact OD2-NZ 2.67Å; D328-K330 PolarHBondContact OD2-NZ 3.47Å; K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 WeakPolarHBondContact CE-OG 3.42Å; K330-S332 WeakPolarHBondContact CG-OG 3.3Å; K330-S332 PolarHBondContact O-N 3.06Å; K330-S332 VanDerWaalsContact O-N 3.13Å; K330-N333 WeakPolarHBondContact CE-ND2 3.43Å; K330-N333 VanDerWaalsContact CE-OD1 3.26Å; K330-N333 WeakPolarHBondContact CE-OD1 3.23Å; K330-N333 HydrophobicContact CG-CB 4.2Å; K330-N333 PolarHBondContact O-N 3.29Å; K330-I334 PolarHBondContact O-N 2.79Å; K330-D382 HydrophobicContact CD-CB 3.82Å; K330-F385 HydrophobicContact CB-CD1 4.1Å; K330-F385 HydrophobicContact CB-CD2 3.67Å; K330-F385 HydrophobicContact CB-CE1 4.03Å; K330-F385 HydrophobicContact CB-CE2 3.59Å; K330-F385 HydrophobicContact CB-CG 3.94Å; K330-F385 HydrophobicContact CB-CZ 3.78Å; K330-F385 HydrophobicContact CD-CD2 4.45Å |
| 331 | P | 98.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -55.5 | -29.8 | -178.7 | -27.6 | 34.4 | 0 | 0 | 0 | 116.1 | L286 S287 I290 N333 F385 T409 L412 | L286-P331 HydrophobicContact CB-CB 4.37Å; L286-P331 WeakPolarHBondContact CB-O 3.25Å; L286-P331 HydrophobicContact CD2-CB 4.32Å; L286-P331 HydrophobicContact CG-CB 4.22Å; L286-P331 PolarHBondContact N-O 3.37Å; S287-P331 PolarHBondContact N-O 3.07Å; I290-P331 HydrophobicContact CD1-CB 4.12Å; I290-P331 HydrophobicContact CD1-CG 4.22Å; P331-N333 VanDerWaalsContact C-N 3.26Å; P331-N333 PolarHBondContact O-N 3.24Å; P331-F385 HydrophobicContact CG-CE1 4.46Å; P331-F385 HydrophobicContact CG-CZ 4.26Å; P331-T409 HydrophobicContact CG-CG2 4.07Å; P331-L412 HydrophobicContact CG-CD1 4.18Å |
| 332 | S | 96.2 | Very high | 87.9 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -71.9 | -20 | 177.2 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | K330 | K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 WeakPolarHBondContact CE-OG 3.42Å; K330-S332 WeakPolarHBondContact CG-OG 3.3Å; K330-S332 PolarHBondContact O-N 3.06Å; K330-S332 VanDerWaalsContact O-N 3.13Å |
| 333 | N | 97.3 | Very high | 85.2 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -107.1 | 4.1 | -173.6 | -62.7 | 16.7 | 0 | 0 | 0 | 111.9 | D328 K330 P331 G365 | D328-N333 PolarHBondContact O-ND2 2.98Å; D328-N333 PolarHBondContact OD2-ND2 3.13Å; K330-N333 WeakPolarHBondContact CE-ND2 3.43Å; K330-N333 VanDerWaalsContact CE-OD1 3.26Å; K330-N333 WeakPolarHBondContact CE-OD1 3.23Å; K330-N333 HydrophobicContact CG-CB 4.2Å; K330-N333 PolarHBondContact O-N 3.29Å; P331-N333 VanDerWaalsContact C-N 3.26Å; P331-N333 PolarHBondContact O-N 3.24Å; N333-G365 PolarHBondContact O-N 3.5Å |
| 334 | I | 98.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.9 | 169.8 | -65.3 | 160.9 | 0 | 0 | 0 | 106.9 | S285 L286 L308 V312 K330 Y362 K363 T409 | S285-I334 CarbonylContact C-O 3.57Å; S285-I334 WeakPolarHBondContact CA-O 3.33Å; L286-I334 HydrophobicContact CB-CB 4.09Å; L286-I334 HydrophobicContact CB-CG2 4.16Å; L286-I334 HydrophobicContact CD2-CB 4.34Å; L286-I334 HydrophobicContact CD2-CD1 4.09Å; L286-I334 HydrophobicContact CD2-CG2 4.34Å; L286-I334 PolarHBondContact N-O 3.47Å; L308-I334 HydrophobicContact CD1-CG2 4.35Å; V312-I334 HydrophobicContact CG1-CD1 4.16Å; V312-I334 HydrophobicContact CG2-CD1 4.02Å; V312-I334 HydrophobicContact CG2-CG1 4.31Å; V312-I334 HydrophobicContact CG2-CG2 3.99Å; K330-I334 PolarHBondContact O-N 2.79Å; I334-Y362 HydrophobicContact CG2-CD1 4.18Å; I334-K363 CarbonylContact C-O 3.53Å; I334-K363 WeakPolarHBondContact CA-O 3.43Å; I334-T409 HydrophobicContact CD1-CG2 3.59Å |
| 335 | F | 97.8 | Very high | 79.8 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 26% | 0.263 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 150.2 | -176.4 | -62.8 | -87 | 0 | 0 | 0 | 111.4 | V262 C281 G284 Y362 K363 | V262-F335 HydrophobicContact CG2-CB 4.27Å; V262-F335 HydrophobicContact CG2-CD2 3.75Å; V262-F335 HydrophobicContact CG2-CG 4.29Å; C281-F335 HydrophobicContact CB-CB 3.64Å; C281-F335 HydrophobicContact CB-CD1 4.47Å; C281-F335 HydrophobicContact CB-CG 4.4Å; C281-F335 VanDerWaalsContact SG-CB 3.53Å; G284-F335 WeakPolarHBondContact O-CA 3.31Å; F335-Y362 CarbonylContact O-C 3.57Å; F335-Y362 WeakPolarHBondContact O-CA 3.42Å; F335-K363 PolarHBondContact N-O 2.95Å; F335-K363 PolarHBondContact O-N 2.85Å |
| 336 | I | 96.4 | Very high | 76.8 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.3 | -176.4 | -62.3 | 168.3 | 0 | 0 | 0 | 109.4 | C281 G283 G284 A289 V360 L361 Y362 | C281-I336 CarbonylContact C-O 3.52Å; C281-I336 WeakPolarHBondContact CB-O 3.47Å; G283-I336 VanDerWaalsContact CA-O 3.31Å; G283-I336 WeakPolarHBondContact CA-O 3.35Å; G283-I336 PolarHBondContact N-O 3.2Å; G284-I336 PolarHBondContact O-N 2.9Å; A289-I336 HydrophobicContact CB-CD1 3.59Å; I336-V360 HydrophobicContact CG2-CG1 3.75Å; I336-L361 CarbonylContact C-O 3.56Å; I336-L361 WeakPolarHBondContact CA-O 3.31Å; I336-Y362 HydrophobicContact CD1-CE1 4.05Å; I336-Y362 HydrophobicContact CG1-CD1 3.82Å; I336-Y362 HydrophobicContact CG1-CE1 3.82Å |
| 337 | C | 92 | Very high | 74.3 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.9 | 165.9 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | D282 L361 K363 | D282-C337 VanDerWaalsContact OD1-CA 3.29Å; D282-C337 WeakPolarHBondContact OD1-CA 3.27Å; C337-L361 HydrophobicContact CB-CB 4.25Å; C337-L361 PolarHBondContact N-O 3.29Å; C337-L361 PolarHBondContact O-N 2.96Å; C337-K363 VanDerWaalsContact SG-CE 3.57Å |
| 338 | Q | 83.9 | Confident | 71.5 | Confident | 108 Ų | 108 | 70 Ų | 70 | 51% | 0.505 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.1 | 169.5 | -62 | -169.5 | -17.6 | 0 | 0 | 108.8 | D282 P340 | D282-Q338 PolarHBondContact OD1-N 3.46Å; Q338-P340 VanDerWaalsContact O-CD 3.27Å; Q338-P340 WeakPolarHBondContact O-CD 3.38Å |
| 339 | Q | 65.4 | Low | 69.1 | Low | 95 Ų | 95 | 79.5 Ų | 79.5 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 118.8 | 167.6 | -76.2 | -168.5 | -27.1 | 0 | 0 | 108.9 | S341 A358 R359 L361 | Q339-S341 PolarHBondContact O-N 3.04Å; Q339-A358 CarbonylContact O-C 3.51Å; Q339-A358 VanDerWaalsContact O-CA 3.31Å; Q339-A358 WeakPolarHBondContact O-CA 3.43Å; Q339-A358 WeakPolarHBondContact O-CB 3.42Å; Q339-R359 HydrophobicContact CB-CB 4.32Å; Q339-R359 PolarHBondContact N-O 3.49Å; Q339-R359 PolarHBondContact O-N 3.32Å; Q339-L361 VanDerWaalsContact CD-CD1 3.4Å; Q339-L361 HydrophobicContact CG-CD1 3.77Å; Q339-L361 HydrophobicContact CG-CG 4.27Å |
| 340 | P | 55.8 | Low | 66.2 | Low | 106 Ų | 106 | 82.3 Ų | 82.3 | 69% | 0.688 | 49% | 0.487 | S | S | * | . | trans | -55.7 | 132.5 | 160.5 | 25.4 | -32.5 | 0 | 0 | 0 | 107.3 | Q338 A342 | Q338-P340 VanDerWaalsContact O-CD 3.27Å; Q338-P340 WeakPolarHBondContact O-CD 3.38Å; P340-A342 PolarHBondContact O-N 3Å | ||
| 341 | S | 48.1 | Very low | 63.7 | Low | 60 Ų | 60 | 90.4 Ų | 90.4 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | trans | -47.7 | 114.3 | 170 | 28.7 | 0 | 0 | 0 | 0 | 107.6 | Q339 A343 S356 | Q339-S341 PolarHBondContact O-N 3.04Å; S341-A343 PolarHBondContact O-N 2.97Å; S341-S356 PolarHBondContact OG-OG 3.38Å | ||
| 342 | A | 43.8 | Very low | 60.9 | Low | 80 Ų | 80 | 97.3 Ų | 97.3 | 66% | 0.661 | 56% | 0.561 | S | S | * | * | trans | -62.7 | 111.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P340 T344 | P340-A342 PolarHBondContact O-N 3Å; A342-T344 PolarHBondContact O-N 3.15Å; A342-T344 PolarHBondContact O-OG1 3.22Å | ||
| 343 | A | 39.2 | Very low | 58.6 | Low | 104 Ų | 104 | 105 Ų | 105 | 86% | 0.86 | 59% | 0.592 | S | S | * | * | trans | -68.7 | 62.1 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | S341 G345 | S341-A343 PolarHBondContact O-N 2.97Å; A343-G345 PolarHBondContact O-N 3.18Å | ||
| 344 | T | 38.5 | Very low | 56 | Low | 119 Ų | 119 | 113.2 Ų | 113.2 | 73% | 0.73 | 63% | 0.63 | S | S | * | * | trans | -62.9 | 96.1 | 158.9 | 33.6 | 0 | 0 | 0 | 0 | 106.5 | A342 R346 | A342-T344 PolarHBondContact O-N 3.15Å; A342-T344 PolarHBondContact O-OG1 3.22Å; T344-R346 VanDerWaalsContact C-N 3.3Å; T344-R346 PolarHBondContact O-N 3.35Å | ||
| 345 | G | 39 | Very low | 53.3 | Low | 81 Ų | 81 | 122.8 Ų | 122.8 | 84% | 0.835 | 67% | 0.668 | S | S | * | * | trans | -56.9 | 89 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | A343 | A343-G345 PolarHBondContact O-N 3.18Š| ||
| 346 | R | 36.3 | Very low | 50.6 | Low | 225 Ų | 225 | 124.9 Ų | 124.9 | 85% | 0.849 | 69% | 0.69 | S | S | * | * | trans | -118.3 | 110.4 | 151.2 | -73.5 | -171.8 | 176.1 | -169.2 | -0.5 | 105.7 | T344 S348 | T344-R346 VanDerWaalsContact C-N 3.3Å; T344-R346 PolarHBondContact O-N 3.35Å; R346-S348 VanDerWaalsContact C-N 3.31Å; R346-S348 PolarHBondContact O-N 3.21Å | ||
| 347 | E | 43.5 | Very low | 48.4 | Very low | 196 Ų | 196 | 127.6 Ų | 127.6 | 92% | 0.916 | 71% | 0.71 | S | S | * | * | trans | -59 | 98.3 | 167.1 | -66.3 | 159.8 | -171.5 | 0 | 0 | 107.3 | ||||
| 348 | S | 38.8 | Very low | 46.7 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | -121.2 | 96.2 | 159.6 | -70.4 | 0 | 0 | 0 | 0 | 105 | R346 G350 | R346-S348 VanDerWaalsContact C-N 3.31Å; R346-S348 PolarHBondContact O-N 3.21Å; S348-G350 PolarHBondContact O-N 2.89Å | ||
| 349 | E | 45.3 | Very low | 46.4 | Very low | 206 Ų | 206 | 130.5 Ų | 130.5 | 96% | 0.963 | 72% | 0.723 | S | S | * | * | trans | -57.9 | 103.3 | 166.3 | -64.8 | 178.8 | 152.3 | 0 | 0 | 107.1 | ||||
| 350 | G | 37.8 | Very low | 47.6 | Very low | 60 Ų | 60 | 128.4 Ų | 128.4 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | trans | -151.4 | 108 | -178.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | S348 D352 | S348-G350 PolarHBondContact O-N 2.89Å; G350-D352 VanDerWaalsContact C-N 3.34Å; G350-D352 PolarHBondContact O-N 3.49Å | ||
| 351 | E | 46.8 | Very low | 49.4 | Very low | 200 Ų | 200 | 123.9 Ų | 123.9 | 94% | 0.935 | 69% | 0.687 | S | S | * | * | trans | -74 | 83.5 | -176.8 | -63.8 | 175.5 | 159.3 | 0 | 0 | 110.4 | ||||
| 352 | D | 39.7 | Very low | 51.7 | Low | 154 Ų | 154 | 121.6 Ų | 121.6 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | trans | -136.6 | 70.6 | 166.4 | -83.1 | -45.9 | 0 | 0 | 0 | 109.3 | G350 E354 | G350-D352 VanDerWaalsContact C-N 3.34Å; G350-D352 PolarHBondContact O-N 3.49Å; D352-E354 PolarHBondContact O-N 2.7Å | ||
| 353 | E | 47.3 | Very low | 54.3 | Low | 212 Ų | 212 | 118.5 Ų | 118.5 | 99% | 0.991 | 64% | 0.641 | S | S | * | * | trans | -73.4 | 69.5 | 165.6 | -75.9 | -157.2 | 160.7 | 0 | 0 | 110.9 | ||||
| 354 | E | 42.8 | Very low | 57.1 | Low | 180 Ų | 180 | 113.6 Ų | 113.6 | 84% | 0.841 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -121.9 | 98.5 | 166.4 | -159 | 166.5 | -167.8 | 0 | 0 | 112.3 | D352 | D352-E354 PolarHBondContact O-N 2.7Š|
| 355 | Y | 41.8 | Very low | 59.8 | Low | 201 Ų | 201 | 107.9 Ų | 107.9 | 79% | 0.788 | 57% | 0.565 | S | S | * | * | trans | 66.5 | 70.9 | 164.3 | -125.8 | -112 | 0 | 0 | 0 | 116.6 | S357 | Y355-S357 WeakPolarHBondContact CD1-OG 3.12Å; Y355-S357 WeakPolarHBondContact CE1-OG 3.5Å; Y355-S357 PolarHBondContact O-N 3.06Å | ||
| 356 | S | 39.9 | Very low | 62.3 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | trans | -67.3 | 61 | 158.7 | 177.1 | 0 | 0 | 0 | 0 | 112 | S341 A358 | S341-S356 PolarHBondContact OG-OG 3.38Å; S356-A358 PolarHBondContact O-N 3.07Å | ||
| 357 | S | 49.9 | Very low | 65 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 49% | 0.49 | 49% | 0.493 | S | S | . | . | trans | -67.8 | 123.5 | 170 | -104.7 | 0 | 0 | 0 | 0 | 110.4 | Y355 R359 | Y355-S357 WeakPolarHBondContact CD1-OG 3.12Å; Y355-S357 WeakPolarHBondContact CE1-OG 3.5Å; Y355-S357 PolarHBondContact O-N 3.06Å; S357-R359 PolarHBondContact O-N 3.25Å | ||
| 358 | A | 56.8 | Low | 67.1 | Low | 42 Ų | 42 | 85.9 Ų | 85.9 | 35% | 0.347 | 45% | 0.453 | S | S | . | . | trans | -52.7 | 129.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q339 S356 V360 | Q339-A358 CarbonylContact O-C 3.51Å; Q339-A358 VanDerWaalsContact O-CA 3.31Å; Q339-A358 WeakPolarHBondContact O-CA 3.43Å; Q339-A358 WeakPolarHBondContact O-CB 3.42Å; S356-A358 PolarHBondContact O-N 3.07Å; A358-V360 PolarHBondContact O-N 2.97Å; A358-V360 VanDerWaalsContact O-N 3.14Å | ||
| 359 | R | 77.9 | Confident | 69.6 | Low | 140 Ų | 140 | 81.8 Ų | 81.8 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 110.5 | -178 | -179 | 178.6 | 178 | 171 | -1.4 | 108.7 | Q339 S357 L361 | Q339-R359 HydrophobicContact CB-CB 4.32Å; Q339-R359 PolarHBondContact N-O 3.49Å; Q339-R359 PolarHBondContact O-N 3.32Å; S357-R359 PolarHBondContact O-N 3.25Å; R359-L361 HydrophobicContact CG-CD2 4.35Å; R359-L361 PolarHBondContact O-N 3.38Å |
| 360 | V | 89.8 | Confident | 72 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 124.3 | 173.6 | -174 | 0 | 0 | 0 | 0 | 109.1 | Q311 I336 A358 Y362 | Q311-V360 PolarHBondContact NE2-O 2.75Å; I336-V360 HydrophobicContact CG2-CG1 3.75Å; A358-V360 PolarHBondContact O-N 2.97Å; A358-V360 VanDerWaalsContact O-N 3.14Å; V360-Y362 HydrophobicContact CG1-CE1 4.05Å; V360-Y362 HydrophobicContact CG1-CE2 3.9Å |
| 361 | L | 94.4 | Very high | 74.6 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129 | 171.9 | -68.9 | -174.4 | 0 | 0 | 0 | 110.9 | Q311 I336 C337 Q339 R359 | Q311-L361 VanDerWaalsContact OE1-CA 3.27Å; I336-L361 CarbonylContact C-O 3.56Å; I336-L361 WeakPolarHBondContact CA-O 3.31Å; C337-L361 HydrophobicContact CB-CB 4.25Å; C337-L361 PolarHBondContact N-O 3.29Å; C337-L361 PolarHBondContact O-N 2.96Å; Q339-L361 VanDerWaalsContact CD-CD1 3.4Å; Q339-L361 HydrophobicContact CG-CD1 3.77Å; Q339-L361 HydrophobicContact CG-CG 4.27Å; R359-L361 HydrophobicContact CG-CD2 4.35Å; R359-L361 PolarHBondContact O-N 3.38Å |
| 362 | Y | 97.1 | Very high | 76.9 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.4 | 174.4 | -58 | -79.6 | 0 | 0 | 0 | 110.5 | H260 L286 L308 Q311 I334 F335 I336 V360 | H260-Y362 PolarHBondContact ND1-O 2.98Å; L286-Y362 HydrophobicContact CD1-CE1 4.27Å; L308-Y362 HydrophobicContact CB-CD2 4.26Å; L308-Y362 HydrophobicContact CB-CE2 3.93Å; L308-Y362 HydrophobicContact CD1-CD1 3.58Å; L308-Y362 HydrophobicContact CD1-CD2 4.11Å; L308-Y362 HydrophobicContact CD1-CE1 3.84Å; L308-Y362 HydrophobicContact CD1-CE2 4.34Å; L308-Y362 HydrophobicContact CD1-CG 3.72Å; Q311-Y362 HydrophobicContact CB-CD2 4.16Å; Q311-Y362 HydrophobicContact CG-CD2 4.35Å; I334-Y362 HydrophobicContact CG2-CD1 4.18Å; F335-Y362 CarbonylContact O-C 3.57Å; F335-Y362 WeakPolarHBondContact O-CA 3.42Å; I336-Y362 HydrophobicContact CD1-CE1 4.05Å; I336-Y362 HydrophobicContact CG1-CD1 3.82Å; I336-Y362 HydrophobicContact CG1-CE1 3.82Å; V360-Y362 HydrophobicContact CG1-CE1 4.05Å; V360-Y362 HydrophobicContact CG1-CE2 3.9Å |
| 363 | K | 97.9 | Very high | 79.5 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.8 | -177 | -56.4 | -165 | 176 | -167.4 | 0 | 112 | P259 V262 E279 I334 F335 C337 | P259-K363 WeakPolarHBondContact O-CE 3.31Å; P259-K363 WeakPolarHBondContact O-CG 3.41Å; V262-K363 HydrophobicContact CG2-CB 3.81Å; E279-K363 WeakPolarHBondContact OE1-CD 3.46Å; E279-K363 IonicContact OE1-NZ 2.85Å; E279-K363 PolarHBondContact OE1-NZ 3.01Å; E279-K363 IonicContact OE2-NZ 2.85Å; E279-K363 PolarHBondContact OE2-NZ 3.06Å; I334-K363 CarbonylContact C-O 3.53Å; I334-K363 WeakPolarHBondContact CA-O 3.43Å; F335-K363 PolarHBondContact N-O 2.95Å; F335-K363 PolarHBondContact O-N 2.85Å; C337-K363 VanDerWaalsContact SG-CE 3.57Å |
| 364 | I | 98.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.4 | 173.9 | -57.3 | 172.8 | 0 | 0 | 0 | 109.5 | H260 V261 V262 V312 L316 I319 H326 I329 | H260-I364 PolarHBondContact O-N 3.21Å; V261-I364 CarbonylContact C-O 3.58Å; V261-I364 WeakPolarHBondContact CA-O 3.38Å; V262-I364 WeakPolarHBondContact CG2-O 3.42Å; V262-I364 PolarHBondContact N-O 2.96Å; V312-I364 HydrophobicContact CG1-CD1 4.01Å; V312-I364 HydrophobicContact CG1-CG1 3.96Å; L316-I364 HydrophobicContact CD2-CD1 3.9Å; L316-I364 HydrophobicContact CG-CD1 3.87Å; I319-I364 HydrophobicContact CD1-CD1 4.05Å; I319-I364 HydrophobicContact CD1-CG2 4.2Å; H326-I364 WeakPolarHBondContact CD2-CG2 3.4Å; H326-I364 VanDerWaalsContact NE2-CG2 3.3Å; H326-I364 WeakPolarHBondContact NE2-CG2 3.06Å; I329-I364 HydrophobicContact CD1-CD1 4.18Å; I329-I364 HydrophobicContact CD1-CG1 4.38Å; I329-I364 HydrophobicContact CD1-CG2 3.82Å |
| 365 | G | 94.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -135.9 | -173.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H326 N333 | H326-G365 PolarHBondContact NE2-O 3.14Å; N333-G365 PolarHBondContact O-N 3.5Å | ||
| 366 | D | 91.7 | Very high | 86.2 | Confident | 33 Ų | 33 | 46 Ų | 46 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | trans | 56.3 | 72.2 | -170.7 | -157.9 | 15.6 | 0 | 0 | 0 | 114 | K230 G368 | K230-D366 IonicContact NZ-OD1 3.08Å; K230-D366 PolarHBondContact NZ-OD1 2.94Å; D366-G368 PolarHBondContact O-N 3.22Å; D366-G368 VanDerWaalsContact O-N 3.14Å | ||
| 367 | L | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -80.1 | 15.6 | -174.9 | -55.5 | -169 | 0 | 0 | 0 | 114.3 | E248 A251 H252 L255 H369 V370 | E248-L367 HydrophobicContact CG-CB 4.33Å; A251-L367 HydrophobicContact CB-CB 3.96Å; A251-L367 HydrophobicContact CB-CD1 3.98Å; H252-L367 VanDerWaalsContact CE1-CD1 3.44Å; H252-L367 WeakPolarHBondContact CE1-CD1 3.37Å; H252-L367 WeakPolarHBondContact ND1-CD1 3.34Å; L255-L367 HydrophobicContact CD1-CD1 3.76Å; L367-H369 VanDerWaalsContact C-N 3.3Å; L367-H369 PolarHBondContact O-N 3.46Å; L367-V370 HydrophobicContact CB-CB 4.48Å; L367-V370 HydrophobicContact CB-CG2 3.75Å; L367-V370 HydrophobicContact CD2-CG2 4.02Å; L367-V370 HydrophobicContact CG-CG2 4.36Å; L367-V370 WeakPolarHBondContact O-CB 3.23Å; L367-V370 WeakPolarHBondContact O-CG2 3.39Å; L367-V370 PolarHBondContact O-N 3.2Å; L367-V370 VanDerWaalsContact O-N 3.08Å |
| 368 | G | 88.9 | Confident | 90.2 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -60.9 | -33.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L244 D366 | L244-G368 WeakPolarHBondContact CD2-O 3.26Å; D366-G368 PolarHBondContact O-N 3.22Å; D366-G368 VanDerWaalsContact O-N 3.14Å |
| 369 | H | 91.3 | Very high | 91.6 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -86.4 | -1 | 177.7 | -72.4 | -98.2 | 0 | 0 | 0 | 114 | H326 L327 D328 L367 T371 E379 E380 | H326-H369 CarbonylContact O-C 3.57Å; H326-H369 WeakPolarHBondContact O-CB 3.19Å; L327-H369 HydrophobicContact CB-CB 4.4Å; D328-H369 HydrophobicContact CB-CB 3.98Å; L367-H369 VanDerWaalsContact C-N 3.3Å; L367-H369 PolarHBondContact O-N 3.46Å; H369-T371 PolarHBondContact O-N 2.85Å; H369-E379 PolarHBondContact ND1-O 2.71Å; H369-E379 VanDerWaalsContact ND1-O 3.08Å; H369-E380 PolarHBondContact CE1-O 3.09Å |
| 370 | V | 94.3 | Very high | 92 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -62.2 | 133.1 | -176.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | A251 L324 V325 L367 | A251-V370 HydrophobicContact CB-CB 3.78Å; A251-V370 HydrophobicContact CB-CG1 3.66Å; A251-V370 HydrophobicContact CB-CG2 4.21Å; L324-V370 HydrophobicContact CB-CG1 4.09Å; L324-V370 HydrophobicContact CD1-CG1 4.17Å; L324-V370 HydrophobicContact CD2-CG1 4.25Å; L324-V370 HydrophobicContact CG-CG1 4.41Å; V325-V370 VanDerWaalsContact O-CA 3.27Å; V325-V370 WeakPolarHBondContact O-CA 3.43Å; L367-V370 HydrophobicContact CB-CB 4.48Å; L367-V370 HydrophobicContact CB-CG2 3.75Å; L367-V370 HydrophobicContact CD2-CG2 4.02Å; L367-V370 HydrophobicContact CG-CG2 4.36Å; L367-V370 WeakPolarHBondContact O-CB 3.23Å; L367-V370 WeakPolarHBondContact O-CG2 3.39Å; L367-V370 PolarHBondContact O-N 3.2Å; L367-V370 VanDerWaalsContact O-N 3.08Å | ||
| 371 | T | 93.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 162.3 | 176.8 | -161.4 | 0 | 0 | 0 | 0 | 112.1 | L324 V325 L327 H369 P376 R377 L398 | L324-T371 WeakPolarHBondContact CA-O 3.37Å; V325-T371 HydrophobicContact CG2-CG2 3.73Å; V325-T371 WeakPolarHBondContact CG2-O 3.37Å; V325-T371 PolarHBondContact N-O 3.24Å; V325-T371 PolarHBondContact O-N 3.21Å; L327-T371 HydrophobicContact CD1-CG2 3.68Å; H369-T371 PolarHBondContact O-N 2.85Å; T371-P376 HydrophobicContact CG2-CB 4.34Å; T371-R377 PolarHBondContact OG1-N 3.05Å; T371-L398 HydrophobicContact CG2-CD1 4.46Å |
| 372 | S | 94.3 | Very high | 91.9 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 137.8 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | G323 S374 R375 P376 | G323-S372 WeakPolarHBondContact O-CA 3.34Å; S372-S374 VanDerWaalsContact C-N 3.29Å; S372-S374 PolarHBondContact O-N 3.21Å; S372-S374 PolarHBondContact OG-N 2.89Å; S372-S374 PolarHBondContact OG-OG 3.06Å; S372-R375 CarbonylContact O-C 3.55Å; S372-P376 WeakPolarHBondContact O-CA 3.46Å |
| 373 | V | 94.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -64.2 | -33.2 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | G323 V325 P399 | G323-V373 PolarHBondContact O-N 3.15Å; V325-V373 HydrophobicContact CG1-CG2 3.61Å; V325-V373 HydrophobicContact CG2-CG2 4.48Å; V373-P399 HydrophobicContact CG2-CG 3.97Å |
| 374 | S | 92.4 | Very high | 91.9 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 69% | 0.692 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -81.5 | -25 | -173.9 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | S372 | S372-S374 VanDerWaalsContact C-N 3.29Å; S372-S374 PolarHBondContact O-N 3.21Å; S372-S374 PolarHBondContact OG-N 2.89Å; S372-S374 PolarHBondContact OG-OG 3.06Å |
| 375 | R | 90.6 | Very high | 91.9 | Very high | 211 Ų | 211 | 53.2 Ų | 53.2 | 80% | 0.796 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -142.4 | 66.7 | 179.3 | -59.7 | -173.6 | 76.1 | 156.4 | 3.4 | 109.8 | S372 | S372-R375 CarbonylContact O-C 3.55Š|
| 376 | P | 89.4 | Confident | 92 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | trans | -68.7 | 134.6 | -168.6 | 28.4 | -35.4 | 0 | 0 | 0 | 111.9 | T371 S372 V378 Y395 L398 | T371-P376 HydrophobicContact CG2-CB 4.34Å; S372-P376 WeakPolarHBondContact O-CA 3.46Å; P376-V378 HydrophobicContact CB-CG2 4.06Å; P376-Y395 HydrophobicContact CG-CD2 4.28Å; P376-Y395 HydrophobicContact CG-CG 4.46Å; P376-L398 HydrophobicContact CB-CD1 3.57Å; P376-L398 HydrophobicContact CG-CD1 4.26Å | ||
| 377 | R | 87.6 | Confident | 92.3 | Very high | 179 Ų | 179 | 52.4 Ų | 52.4 | 68% | 0.675 | 26% | 0.262 | S | S | * | . | trans | -119.8 | 70.8 | 168.6 | -68 | -172.9 | -179.2 | -173.6 | 1.6 | 108 | K247 T371 | K247-R377 PolarHBondContact NZ-O 3.15Å; T371-R377 PolarHBondContact OG1-N 3.05Å | ||
| 378 | V | 87.4 | Confident | 92.5 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | trans | -66.7 | 132.2 | -174.7 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | L327 P376 V390 Y395 L398 | L327-V378 HydrophobicContact CD1-CB 4.5Å; L327-V378 HydrophobicContact CD1-CG1 4.09Å; L327-V378 HydrophobicContact CD1-CG2 4.08Å; P376-V378 HydrophobicContact CB-CG2 4.06Å; V378-V390 HydrophobicContact CG1-CG1 4.02Å; V378-Y395 HydrophobicContact CB-CE1 3.98Å; V378-Y395 HydrophobicContact CB-CE2 4.42Å; V378-Y395 HydrophobicContact CG1-CE1 4.07Å; V378-Y395 HydrophobicContact CG2-CD1 3.78Å; V378-Y395 HydrophobicContact CG2-CD2 4.2Å; V378-Y395 HydrophobicContact CG2-CE1 3.69Å; V378-Y395 HydrophobicContact CG2-CE2 4.14Å; V378-Y395 HydrophobicContact CG2-CG 4.03Å; V378-L398 HydrophobicContact CG2-CD1 4.11Å; V378-L398 HydrophobicContact CG2-CD2 4.21Å | ||
| 379 | E | 86.4 | Confident | 92.9 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | trans | -117.3 | 126.4 | 160.5 | -70.5 | 176.8 | -129.6 | 0 | 0 | 106 | K247 H369 G381 | K247-E379 IonicContact NZ-OE1 3.56Å; K247-E379 PolarHBondContact NZ-OE1 3.05Å; H369-E379 PolarHBondContact ND1-O 2.71Å; H369-E379 VanDerWaalsContact ND1-O 3.08Å; E379-G381 PolarHBondContact O-N 3.13Å | ||
| 380 | E | 86.6 | Confident | 93.2 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | trans | -56.8 | 125 | -177.1 | -68.2 | 172.7 | -142.8 | 0 | 0 | 110.3 | H369 L386 | H369-E380 PolarHBondContact CE1-O 3.09Å; E380-L386 HydrophobicContact CG-CD2 4.47Å | ||
| 381 | G | 86.9 | Confident | 93.2 | Very high | 15 Ų | 15 | 58 Ų | 58 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | trans | -77.8 | -162.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E379 S383 | E379-G381 PolarHBondContact O-N 3.13Å; G381-S383 PolarHBondContact O-N 3.09Å; G381-S383 VanDerWaalsContact O-N 3.17Å | ||
| 382 | D | 94.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | trans | -58.8 | 118.8 | 179.7 | -168.7 | -45.3 | 0 | 0 | 0 | 112.5 | D328 K330 R384 F385 L386 | D328-D382 PolarHBondContact OD1-N 3.43Å; K330-D382 HydrophobicContact CD-CB 3.82Å; D382-R384 PolarHBondContact O-N 2.68Å; D382-R384 VanDerWaalsContact OD1-CB 3.27Å; D382-R384 WeakPolarHBondContact OD1-CB 3.38Å; D382-R384 WeakPolarHBondContact OD1-CG 3.41Å; D382-R384 IonicContact OD1-CZ 3.78Å; D382-R384 PolarHBondContact OD1-N 3.06Å; D382-R384 IonicContact OD1-NE 3.62Å; D382-R384 PolarHBondContact OD1-NE 3.37Å; D382-R384 IonicContact OD1-NH2 3.62Å; D382-R384 IonicContact OD2-CZ 3.68Å; D382-R384 IonicContact OD2-NE 2.77Å; D382-R384 PolarHBondContact OD2-NE 3.14Å; D382-R384 IonicContact OD2-NH2 3.65Å; D382-R384 PolarHBondContact OD2-NH2 2.82Å; D382-F385 HydrophobicContact CB-CD2 3.96Å; D382-F385 PolarHBondContact O-N 2.81Å; D382-L386 PolarHBondContact O-N 3.47Å | ||
| 383 | S | 96.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 68 Ų | 68 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -25.4 | -174 | 79.4 | 0 | 0 | 0 | 0 | 113.3 | G381 F385 P421 W426 R430 | G381-S383 PolarHBondContact O-N 3.09Å; G381-S383 VanDerWaalsContact O-N 3.17Å; S383-F385 VanDerWaalsContact C-N 3.28Å; S383-F385 PolarHBondContact O-N 3.16Å; S383-P421 PolarHBondContact OG-O 3.4Å; S383-W426 PolarHBondContact O-NE1 3.12Å; S383-R430 PolarHBondContact O-NH2 3.29Å |
| 384 | R | 97.8 | Very high | 93.3 | Very high | 106 Ų | 106 | 69.5 Ų | 69.5 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.7 | 177.7 | -62.7 | 174.2 | -68 | 175.7 | 0 | 112.5 | D382 L419 P421 R430 | D382-R384 PolarHBondContact O-N 2.68Å; D382-R384 VanDerWaalsContact OD1-CB 3.27Å; D382-R384 WeakPolarHBondContact OD1-CB 3.38Å; D382-R384 WeakPolarHBondContact OD1-CG 3.41Å; D382-R384 IonicContact OD1-CZ 3.78Å; D382-R384 PolarHBondContact OD1-N 3.06Å; D382-R384 IonicContact OD1-NE 3.62Å; D382-R384 PolarHBondContact OD1-NE 3.37Å; D382-R384 IonicContact OD1-NH2 3.62Å; D382-R384 IonicContact OD2-CZ 3.68Å; D382-R384 IonicContact OD2-NE 2.77Å; D382-R384 PolarHBondContact OD2-NE 3.14Å; D382-R384 IonicContact OD2-NH2 3.65Å; D382-R384 PolarHBondContact OD2-NH2 2.82Å; R384-L419 HydrophobicContact CB-CB 3.99Å; R384-L419 WeakPolarHBondContact CD-O 3.43Å; R384-L419 HydrophobicContact CG-CB 4.5Å; R384-P421 HydrophobicContact CG-CB 4.23Å; R384-R430 VanDerWaalsContact C-NH2 3.31Å; R384-R430 PolarHBondContact O-NH2 2.67Å |
| 385 | F | 98.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -16.3 | -179.6 | -59.7 | -90.6 | 0 | 0 | 0 | 112.9 | K330 P331 D382 S383 A387 F404 A405 L408 L412 L419 | K330-F385 HydrophobicContact CB-CD1 4.1Å; K330-F385 HydrophobicContact CB-CD2 3.67Å; K330-F385 HydrophobicContact CB-CE1 4.03Å; K330-F385 HydrophobicContact CB-CE2 3.59Å; K330-F385 HydrophobicContact CB-CG 3.94Å; K330-F385 HydrophobicContact CB-CZ 3.78Å; K330-F385 HydrophobicContact CD-CD2 4.45Å; P331-F385 HydrophobicContact CG-CE1 4.46Å; P331-F385 HydrophobicContact CG-CZ 4.26Å; D382-F385 HydrophobicContact CB-CD2 3.96Å; D382-F385 PolarHBondContact O-N 2.81Å; S383-F385 VanDerWaalsContact C-N 3.28Å; S383-F385 PolarHBondContact O-N 3.16Å; F385-A387 PolarHBondContact O-N 3.47Å; F385-F404 WeakPolarHBondContact O-CD1 3.5Å; F385-A405 HydrophobicContact CB-CB 4.13Å; F385-L408 HydrophobicContact CD1-CB 4.01Å; F385-L408 HydrophobicContact CE1-CB 4.44Å; F385-L412 HydrophobicContact CE1-CD1 3.81Å; F385-L412 HydrophobicContact CZ-CD1 3.51Å; F385-L419 HydrophobicContact CD1-CD1 4.12Å; F385-L419 HydrophobicContact CE1-CD1 3.72Å; F385-L419 HydrophobicContact CZ-CD1 3.96Å |
| 386 | L | 97.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | trans | -56.9 | 129.4 | -178.5 | -170.1 | 65.9 | 0 | 0 | 0 | 112.6 | E380 D382 V390 L391 R430 | E380-L386 HydrophobicContact CG-CD2 4.47Å; D382-L386 PolarHBondContact O-N 3.47Å; L386-V390 HydrophobicContact CD1-CB 3.87Å; L386-V390 HydrophobicContact CD1-CG1 3.74Å; L386-L391 HydrophobicContact CD2-CB 4.14Å; L386-L391 HydrophobicContact CD2-CD1 4.26Å; L386-R430 PolarHBondContact O-NE 3.23Å; L386-R430 PolarHBondContact O-NH2 2.86Å | ||
| 387 | A | 97.4 | Very high | 94 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | trans | -79.3 | 150.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F385 E389 V390 L391 A401 F404 | F385-A387 PolarHBondContact O-N 3.47Å; A387-E389 VanDerWaalsContact C-N 3.33Å; A387-E389 WeakPolarHBondContact CB-OE1 3.43Å; A387-E389 WeakPolarHBondContact CB-OE2 3.46Å; A387-E389 PolarHBondContact O-N 2.87Å; A387-V390 HydrophobicContact CB-CG2 4.42Å; A387-V390 PolarHBondContact O-N 3.19Å; A387-L391 PolarHBondContact O-N 2.81Å; A387-A401 HydrophobicContact CB-CB 4.13Å; A387-F404 HydrophobicContact CB-CB 4.08Å; A387-F404 HydrophobicContact CB-CD1 3.57Å; A387-F404 HydrophobicContact CB-CE1 4.18Å; A387-F404 HydrophobicContact CB-CG 3.84Å | ||
| 388 | K | 96.3 | Very high | 94.5 | Very high | 71 Ų | 71 | 54 Ų | 54 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | -172.5 | -165.3 | 171.2 | 179.4 | 176.5 | 0 | 112 | V390 L391 H392 R430 | K388-V390 VanDerWaalsContact C-N 3.33Å; K388-V390 PolarHBondContact O-N 3.37Å; K388-L391 PolarHBondContact O-N 2.82Å; K388-H392 PolarHBondContact O-N 2.92Å; K388-H392 PolarHBondContact O-ND1 3.4Å; K388-R430 HydrophobicContact CB-CB 4.02Å; K388-R430 HydrophobicContact CB-CG 3.9Å; K388-R430 HydrophobicContact CD-CB 4.21Å |
| 389 | E | 96.7 | Very high | 95 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -34 | -177.6 | 69.4 | -75.7 | 177.6 | 0 | 0 | 113.1 | A387 H392 E393 N394 P457 R460 | A387-E389 VanDerWaalsContact C-N 3.33Å; A387-E389 WeakPolarHBondContact CB-OE1 3.43Å; A387-E389 WeakPolarHBondContact CB-OE2 3.46Å; A387-E389 PolarHBondContact O-N 2.87Å; E389-H392 CarbonylContact O-C 3.56Å; E389-H392 PolarHBondContact O-N 3.32Å; E389-E393 PolarHBondContact O-N 3.42Å; E389-N394 HydrophobicContact CB-CB 4.29Å; E389-N394 WeakPolarHBondContact O-CB 3.28Å; E389-N394 PolarHBondContact O-N 3.4Å; E389-P457 HydrophobicContact CG-CB 4.35Å; E389-P457 HydrophobicContact CG-CG 4.11Å; E389-R460 IonicContact OE1-CZ 2.69Å; E389-R460 IonicContact OE1-NH1 2.84Å; E389-R460 PolarHBondContact OE1-NH1 3.08Å; E389-R460 IonicContact OE1-NH2 3.56Å; E389-R460 IonicContact OE2-CZ 3.61Å; E389-R460 IonicContact OE2-NH1 2.7Å; E389-R460 PolarHBondContact OE2-NH1 3.5Å; E389-R460 IonicContact OE2-NH2 3.74Å; E389-R460 PolarHBondContact OE2-NH2 2.78Å |
| 390 | V | 96.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 177.9 | -175 | 0 | 0 | 0 | 0 | 110.8 | V378 L386 A387 K388 H392 E393 Y395 L398 A401 | V378-V390 HydrophobicContact CG1-CG1 4.02Å; L386-V390 HydrophobicContact CD1-CB 3.87Å; L386-V390 HydrophobicContact CD1-CG1 3.74Å; A387-V390 HydrophobicContact CB-CG2 4.42Å; A387-V390 PolarHBondContact O-N 3.19Å; K388-V390 VanDerWaalsContact C-N 3.33Å; K388-V390 PolarHBondContact O-N 3.37Å; V390-H392 PolarHBondContact O-N 3.19Å; V390-E393 PolarHBondContact O-N 3.48Å; V390-Y395 HydrophobicContact CG1-CE1 4.18Å; V390-L398 HydrophobicContact CG2-CD2 4.25Å; V390-A401 HydrophobicContact CG2-CB 3.53Å |
| 391 | L | 94.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -26 | 174.3 | -178.4 | 64.6 | 0 | 0 | 0 | 113.1 | L386 A387 K388 E393 W426 | L386-L391 HydrophobicContact CD2-CB 4.14Å; L386-L391 HydrophobicContact CD2-CD1 4.26Å; A387-L391 PolarHBondContact O-N 2.81Å; K388-L391 PolarHBondContact O-N 2.82Å; L391-E393 VanDerWaalsContact C-N 3.28Å; L391-W426 HydrophobicContact CD2-CH2 3.61Å; L391-W426 HydrophobicContact CD2-CZ2 4.11Å; L391-W426 HydrophobicContact CD2-CZ3 4.33Å |
| 392 | H | 94.3 | Very high | 96.7 | Very high | 126 Ų | 126 | 47.3 Ų | 47.3 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | 17.2 | 174.7 | -65.3 | 81.1 | 0 | 0 | 0 | 112.7 | K388 E389 V390 N394 | K388-H392 PolarHBondContact O-N 2.92Å; K388-H392 PolarHBondContact O-ND1 3.4Å; E389-H392 CarbonylContact O-C 3.56Å; E389-H392 PolarHBondContact O-N 3.32Å; V390-H392 PolarHBondContact O-N 3.19Å; H392-N394 PolarHBondContact O-N 2.91Å; H392-N394 VanDerWaalsContact O-N 3.09Å |
| 393 | E | 95.1 | Very high | 96.9 | Very high | 135 Ų | 135 | 45.8 Ų | 45.8 | 63% | 0.631 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 18.9 | -178.5 | -52.7 | -176 | 150.3 | 0 | 0 | 114.3 | E389 V390 L391 Y395 | E389-E393 PolarHBondContact O-N 3.42Å; V390-E393 PolarHBondContact O-N 3.48Å; L391-E393 VanDerWaalsContact C-N 3.28Å; E393-Y395 HydrophobicContact CB-CE2 4.32Å; E393-Y395 PolarHBondContact O-N 3.05Å |
| 394 | N | 95.3 | Very high | 97 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | trans | -87.1 | 96.3 | 177.4 | -179.2 | 3.4 | 0 | 0 | 0 | 110.8 | E389 H392 A396 | E389-N394 HydrophobicContact CB-CB 4.29Å; E389-N394 WeakPolarHBondContact O-CB 3.28Å; E389-N394 PolarHBondContact O-N 3.4Å; H392-N394 PolarHBondContact O-N 2.91Å; H392-N394 VanDerWaalsContact O-N 3.09Å; N394-A396 WeakPolarHBondContact OD1-CB 3.13Å; N394-A396 PolarHBondContact OD1-N 2.79Å | ||
| 395 | Y | 96.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 26% | 0.259 | 20% | 0.198 | S | C | . | . | trans | -95.8 | 12.8 | -176.1 | -50.4 | -39 | 0 | 0 | 0 | 114.4 | P376 V378 V390 E393 H397 L398 | P376-Y395 HydrophobicContact CG-CD2 4.28Å; P376-Y395 HydrophobicContact CG-CG 4.46Å; V378-Y395 HydrophobicContact CB-CE1 3.98Å; V378-Y395 HydrophobicContact CB-CE2 4.42Å; V378-Y395 HydrophobicContact CG1-CE1 4.07Å; V378-Y395 HydrophobicContact CG2-CD1 3.78Å; V378-Y395 HydrophobicContact CG2-CD2 4.2Å; V378-Y395 HydrophobicContact CG2-CE1 3.69Å; V378-Y395 HydrophobicContact CG2-CE2 4.14Å; V378-Y395 HydrophobicContact CG2-CG 4.03Å; V390-Y395 HydrophobicContact CG1-CE1 4.18Å; E393-Y395 HydrophobicContact CB-CE2 4.32Å; E393-Y395 PolarHBondContact O-N 3.05Å; Y395-H397 PolarHBondContact O-N 3.31Å; Y395-L398 HydrophobicContact CD1-CD2 3.77Å; Y395-L398 HydrophobicContact CG-CD2 4.29Å | ||
| 396 | A | 95.6 | Very high | 97.1 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 55% | 0.554 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N394 | N394-A396 WeakPolarHBondContact OD1-CB 3.13Å; N394-A396 PolarHBondContact OD1-N 2.79Å |
| 397 | H | 96.8 | Very high | 97.1 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 36.2 | -172.5 | -61 | -48.2 | 0 | 0 | 0 | 113.4 | Y395 P399 K400 P457 | Y395-H397 PolarHBondContact O-N 3.31Å; H397-P399 VanDerWaalsContact C-N 3.31Å; H397-K400 HydrophobicContact CB-CB 4.4Å; H397-K400 HydrophobicContact CB-CG 4.12Å; H397-K400 WeakPolarHBondContact O-CA 3.44Å; H397-K400 VanDerWaalsContact O-CB 3.26Å; H397-K400 WeakPolarHBondContact O-CB 3.38Å; H397-K400 PolarHBondContact O-N 3.18Å; H397-P457 HydrophobicContact CB-CB 3.9Å; H397-P457 HydrophobicContact CB-CG 4.15Å |
| 398 | L | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -39.4 | -177.9 | -71.8 | 176.7 | 0 | 0 | 0 | 116.1 | V325 L327 T371 P376 V378 V390 Y395 K400 A401 | V325-L398 HydrophobicContact CB-CB 4.42Å; V325-L398 HydrophobicContact CG1-CB 3.95Å; V325-L398 HydrophobicContact CG2-CB 4.05Å; V325-L398 HydrophobicContact CG2-CD1 4.14Å; L327-L398 HydrophobicContact CD2-CB 4.47Å; L327-L398 HydrophobicContact CD2-CD2 4.06Å; T371-L398 HydrophobicContact CG2-CD1 4.46Å; P376-L398 HydrophobicContact CB-CD1 3.57Å; P376-L398 HydrophobicContact CG-CD1 4.26Å; V378-L398 HydrophobicContact CG2-CD1 4.11Å; V378-L398 HydrophobicContact CG2-CD2 4.21Å; V390-L398 HydrophobicContact CG2-CD2 4.25Å; Y395-L398 HydrophobicContact CD1-CD2 3.77Å; Y395-L398 HydrophobicContact CG-CD2 4.29Å; L398-K400 PolarHBondContact O-N 3.48Å; L398-K400 VanDerWaalsContact O-N 3.09Å; L398-A401 VanDerWaalsContact O-CB 3.31Å; L398-A401 WeakPolarHBondContact O-CB 3.09Å; L398-A401 PolarHBondContact O-N 2.66Å |
| 399 | P | 98.4 | Very high | 97.3 | Very high | 34 Ų | 34 | 34 Ų | 34 | 22% | 0.221 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.4 | -26.1 | 175.8 | -27.3 | 36.3 | 0 | 0 | 0 | 114.2 | H320 V325 V373 H397 M403 | H320-P399 PolarHBondContact CE1-O 2.78Å; H320-P399 VanDerWaalsContact CE1-O 3.24Å; V325-P399 HydrophobicContact CG1-CB 4.15Å; V325-P399 HydrophobicContact CG1-CG 3.69Å; V373-P399 HydrophobicContact CG2-CG 3.97Å; H397-P399 VanDerWaalsContact C-N 3.31Å; P399-M403 WeakPolarHBondContact O-CG 3.44Å |
| 400 | K | 98.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 15% | 0.148 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -80.9 | -15.3 | 178.5 | -53.5 | -68.4 | -157.6 | 79 | 0 | 112.7 | H397 L398 F404 P457 V458 R460 | H397-K400 HydrophobicContact CB-CB 4.4Å; H397-K400 HydrophobicContact CB-CG 4.12Å; H397-K400 WeakPolarHBondContact O-CA 3.44Å; H397-K400 VanDerWaalsContact O-CB 3.26Å; H397-K400 WeakPolarHBondContact O-CB 3.38Å; H397-K400 PolarHBondContact O-N 3.18Å; L398-K400 PolarHBondContact O-N 3.48Å; L398-K400 VanDerWaalsContact O-N 3.09Å; K400-F404 PolarHBondContact O-N 3.05Å; K400-P457 HydrophobicContact CB-CB 3.81Å; K400-P457 WeakPolarHBondContact CB-O 3.16Å; K400-P457 WeakPolarHBondContact CD-O 3.47Å; K400-P457 HydrophobicContact CG-CB 4.41Å; K400-P457 WeakPolarHBondContact CG-O 3.49Å; K400-P457 PolarHBondContact NZ-O 3.17Å; K400-V458 PolarHBondContact NZ-O 3.34Å; K400-R460 HydrophobicContact CD-CB 4.34Å; K400-R460 WeakPolarHBondContact CD-O 3.3Å; K400-R460 WeakPolarHBondContact CE-O 3.29Å; K400-R460 PolarHBondContact NZ-O 2.85Å; K400-R460 WeakPolarHBondContact O-CD 3.44Å; K400-R460 PolarHBondContact O-NH1 2.94Å |
| 401 | A | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.1 | -39.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | L327 A387 V390 L398 M403 F404 A405 | L327-A401 HydrophobicContact CD2-CB 4.47Å; A387-A401 HydrophobicContact CB-CB 4.13Å; V390-A401 HydrophobicContact CG2-CB 3.53Å; L398-A401 VanDerWaalsContact O-CB 3.31Å; L398-A401 WeakPolarHBondContact O-CB 3.09Å; L398-A401 PolarHBondContact O-N 2.66Å; A401-M403 VanDerWaalsContact C-N 3.26Å; A401-M403 PolarHBondContact O-N 3.38Å; A401-F404 PolarHBondContact O-N 2.96Å; A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 2.93Å |
| 402 | D | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 171.8 | -69.5 | -23.5 | 0 | 0 | 0 | 111.5 | L316 H320 H326 L327 I329 L406 | L316-D402 HydrophobicContact CD1-CB 3.97Å; L316-D402 HydrophobicContact CD2-CB 3.82Å; H320-D402 IonicContact CD2-OD2 3.9Å; H320-D402 IonicContact CE1-OD2 2.63Å; H320-D402 IonicContact NE2-OD2 3.5Å; H320-D402 PolarHBondContact NE2-OD2 2.68Å; H326-D402 PolarHBondContact N-OD1 2.99Å; H326-D402 PolarHBondContact N-OD2 3.37Å; L327-D402 WeakPolarHBondContact CA-OD1 3.16Å; L327-D402 PolarHBondContact N-OD1 3Å; I329-D402 HydrophobicContact CG1-CB 4.39Å; D402-L406 WeakPolarHBondContact O-CB 3.42Å; D402-L406 PolarHBondContact O-N 3.42Å |
| 403 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 177.2 | -54.4 | -50 | -61 | 0 | 0 | 112 | V313 L316 P399 A401 L406 G407 L452 P461 A463 L466 | V313-M403 HydrophobicContact CG2-CE 4.29Å; L316-M403 HydrophobicContact CD1-SD 3.95Å; P399-M403 WeakPolarHBondContact O-CG 3.44Å; A401-M403 VanDerWaalsContact C-N 3.26Å; A401-M403 PolarHBondContact O-N 3.38Å; M403-L406 PolarHBondContact O-N 3.09Å; M403-G407 PolarHBondContact O-N 2.91Å; M403-L452 HydrophobicContact CB-CD2 3.88Å; M403-L452 HydrophobicContact CE-CD2 3.95Å; M403-P461 WeakPolarHBondContact CG-O 3.39Å; M403-A463 HydrophobicContact CE-CB 4.22Å; M403-A463 HydrophobicContact SD-CB 3.82Å; M403-L466 HydrophobicContact CE-CB 4.36Å; M403-L466 HydrophobicContact CE-CD2 3.48Å; M403-L466 VanDerWaalsContact CE-CD2 3.48Å |
| 404 | F | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -48.4 | 175.4 | 177.4 | -88.5 | 0 | 0 | 0 | 111.9 | F385 A387 K400 A401 L406 G407 L408 R430 L452 L453 | F385-F404 WeakPolarHBondContact O-CD1 3.5Å; A387-F404 HydrophobicContact CB-CB 4.08Å; A387-F404 HydrophobicContact CB-CD1 3.57Å; A387-F404 HydrophobicContact CB-CE1 4.18Å; A387-F404 HydrophobicContact CB-CG 3.84Å; K400-F404 PolarHBondContact O-N 3.05Å; A401-F404 PolarHBondContact O-N 2.96Å; F404-L406 VanDerWaalsContact C-N 3.26Å; F404-L406 PolarHBondContact O-N 3.11Å; F404-G407 PolarHBondContact O-N 3.27Å; F404-G407 VanDerWaalsContact O-N 3.11Å; F404-L408 HydrophobicContact CD1-CD1 4.01Å; F404-L408 HydrophobicContact CE1-CD1 3.33Å; F404-L408 HydrophobicContact CE1-CG 4.17Å; F404-L408 HydrophobicContact CZ-CD1 3.82Å; F404-L408 HydrophobicContact CZ-CG 4.38Å; F404-L408 PolarHBondContact O-N 3.24Å; F404-L408 VanDerWaalsContact O-N 3.09Å; F404-R430 HydrophobicContact CE1-CG 4.33Å; F404-R430 HydrophobicContact CE2-CG 4.36Å; F404-R430 HydrophobicContact CZ-CG 3.68Å; F404-L452 WeakPolarHBondContact CA-O 3.43Å; F404-L453 HydrophobicContact CD2-CG 4.24Å; F404-L453 HydrophobicContact CE2-CB 4.3Å; F404-L453 HydrophobicContact CE2-CG 3.93Å |
| 405 | A | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 5% | 0.05 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.9 | -35.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I329 F385 A401 T409 | I329-A405 HydrophobicContact CB-CB 3.97Å; I329-A405 HydrophobicContact CG2-CB 4.42Å; F385-A405 HydrophobicContact CB-CB 4.13Å; A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 2.93Å; A405-T409 WeakPolarHBondContact O-CB 3.42Å; A405-T409 PolarHBondContact O-N 3.24Å; A405-T409 PolarHBondContact O-OG1 3.48Å |
| 406 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.8 | -39.5 | 172.7 | -176 | 53 | 0 | 0 | 0 | 113 | L309 V312 V313 L316 I329 D402 M403 F404 L408 T409 V410 | L309-L406 HydrophobicContact CD1-CD1 4.4Å; L309-L406 HydrophobicContact CD1-CD2 3.71Å; L309-L406 HydrophobicContact CD1-CG 3.73Å; V312-L406 HydrophobicContact CB-CD1 3.99Å; V312-L406 HydrophobicContact CB-CD2 4.21Å; V312-L406 HydrophobicContact CG1-CD1 3.59Å; V312-L406 HydrophobicContact CG1-CD2 3.86Å; V312-L406 HydrophobicContact CG1-CG 4.38Å; V313-L406 HydrophobicContact CG2-CD2 3.54Å; L316-L406 HydrophobicContact CD1-CB 4.4Å; L316-L406 HydrophobicContact CD1-CD2 3.76Å; I329-L406 HydrophobicContact CG2-CB 4.16Å; I329-L406 HydrophobicContact CG2-CD1 4.39Å; D402-L406 WeakPolarHBondContact O-CB 3.42Å; D402-L406 PolarHBondContact O-N 3.42Å; M403-L406 PolarHBondContact O-N 3.09Å; F404-L406 VanDerWaalsContact C-N 3.26Å; F404-L406 PolarHBondContact O-N 3.11Å; L406-L408 PolarHBondContact O-N 2.97Å; L406-T409 HydrophobicContact CD1-CG2 4.41Å; L406-T409 WeakPolarHBondContact O-CB 3.36Å; L406-T409 PolarHBondContact O-N 3.3Å; L406-V410 HydrophobicContact CD1-CG2 4.24Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 3.23Å |
| 407 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.4 | -47.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | M403 F404 T409 V410 L411 | M403-G407 PolarHBondContact O-N 2.91Å; F404-G407 PolarHBondContact O-N 3.27Å; F404-G407 VanDerWaalsContact O-N 3.11Å; G407-T409 VanDerWaalsContact C-N 3.34Å; G407-T409 PolarHBondContact O-N 2.85Å; G407-V410 PolarHBondContact O-N 2.68Å; G407-L411 WeakPolarHBondContact O-CG 3.33Å; G407-L411 PolarHBondContact O-N 2.78Å |
| 408 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 174.5 | -72.9 | 177.8 | 0 | 0 | 0 | 113.3 | F385 F404 L406 L411 L412 L419 L429 L453 | F385-L408 HydrophobicContact CD1-CB 4.01Å; F385-L408 HydrophobicContact CE1-CB 4.44Å; F404-L408 HydrophobicContact CD1-CD1 4.01Å; F404-L408 HydrophobicContact CE1-CD1 3.33Å; F404-L408 HydrophobicContact CE1-CG 4.17Å; F404-L408 HydrophobicContact CZ-CD1 3.82Å; F404-L408 HydrophobicContact CZ-CG 4.38Å; F404-L408 PolarHBondContact O-N 3.24Å; F404-L408 VanDerWaalsContact O-N 3.09Å; L406-L408 PolarHBondContact O-N 2.97Å; L408-L411 HydrophobicContact CD2-CD1 4.36Å; L408-L411 PolarHBondContact O-N 3.23Å; L408-L412 PolarHBondContact O-N 3.02Å; L408-L419 HydrophobicContact CB-CD1 3.91Å; L408-L419 HydrophobicContact CD1-CD1 4.43Å; L408-L419 HydrophobicContact CD2-CD1 4.3Å; L408-L419 HydrophobicContact CD2-CD2 4.17Å; L408-L419 HydrophobicContact CG-CD1 4.46Å; L408-L429 HydrophobicContact CD2-CB 4.45Å; L408-L429 HydrophobicContact CD2-CD1 4.29Å; L408-L429 HydrophobicContact CD2-CD2 4.11Å; L408-L453 HydrophobicContact CD2-CD2 3.97Å; L408-L453 HydrophobicContact CG-CD1 4.46Å |
| 409 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.6 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | L286 P331 I334 A405 L406 G407 A413 | L286-T409 HydrophobicContact CD2-CG2 3.9Å; P331-T409 HydrophobicContact CG-CG2 4.07Å; I334-T409 HydrophobicContact CD1-CG2 3.59Å; A405-T409 WeakPolarHBondContact O-CB 3.42Å; A405-T409 PolarHBondContact O-N 3.24Å; A405-T409 PolarHBondContact O-OG1 3.48Å; L406-T409 HydrophobicContact CD1-CG2 4.41Å; L406-T409 WeakPolarHBondContact O-CB 3.36Å; L406-T409 PolarHBondContact O-N 3.3Å; G407-T409 VanDerWaalsContact C-N 3.34Å; G407-T409 PolarHBondContact O-N 2.85Å; T409-A413 PolarHBondContact O-N 3.29Å |
| 410 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72.6 | -33.6 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | L305 L308 L309 L406 G407 A413 A414 F445 L449 | L305-V410 HydrophobicContact CB-CG1 4.3Å; L305-V410 HydrophobicContact CD2-CG1 4.29Å; L308-V410 HydrophobicContact CD2-CG2 4.38Å; L309-V410 HydrophobicContact CB-CG2 4.11Å; L309-V410 HydrophobicContact CD1-CG2 4.09Å; L406-V410 HydrophobicContact CD1-CG2 4.24Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 3.23Å; G407-V410 PolarHBondContact O-N 2.68Å; V410-A413 WeakPolarHBondContact O-CB 3.26Å; V410-A413 PolarHBondContact O-N 2.79Å; V410-A414 WeakPolarHBondContact O-CB 3.45Å; V410-A414 PolarHBondContact O-N 3.45Å; V410-F445 HydrophobicContact CG1-CZ 4Å; V410-L449 HydrophobicContact CB-CD2 4.04Å; V410-L449 HydrophobicContact CG1-CD1 4.5Å; V410-L449 HydrophobicContact CG1-CD2 3.8Å |
| 411 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 173 | -73 | 165.6 | 0 | 0 | 0 | 112.1 | G407 L408 A414 G415 A416 L434 P435 L437 L449 L453 | G407-L411 WeakPolarHBondContact O-CG 3.33Å; G407-L411 PolarHBondContact O-N 2.78Å; L408-L411 HydrophobicContact CD2-CD1 4.36Å; L408-L411 PolarHBondContact O-N 3.23Å; L411-A414 WeakPolarHBondContact O-CB 3.37Å; L411-A414 PolarHBondContact O-N 3.36Å; L411-G415 PolarHBondContact O-N 2.73Å; L411-A416 HydrophobicContact CB-CB 4.35Å; L411-A416 WeakPolarHBondContact O-CB 3.49Å; L411-A416 PolarHBondContact O-N 2.92Å; L411-L434 HydrophobicContact CD1-CG 4.15Å; L411-L434 HydrophobicContact CD2-CD2 4.08Å; L411-L434 HydrophobicContact CD2-CG 4.14Å; L411-P435 HydrophobicContact CD2-CG 4.46Å; L411-L437 HydrophobicContact CD2-CD1 4.22Å; L411-L437 HydrophobicContact CD2-CD2 4.22Å; L411-L449 HydrophobicContact CD2-CD1 4.03Å; L411-L453 HydrophobicContact CD1-CD1 4.23Å; L411-L453 HydrophobicContact CD1-CD2 3.63Å |
| 412 | L | 97.1 | Very high | 97.1 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 171 | -83.3 | 177.6 | 0 | 0 | 0 | 112.1 | P331 F385 L408 A414 G415 L419 | P331-L412 HydrophobicContact CG-CD1 4.18Å; F385-L412 HydrophobicContact CE1-CD1 3.81Å; F385-L412 HydrophobicContact CZ-CD1 3.51Å; L408-L412 PolarHBondContact O-N 3.02Å; L412-A414 PolarHBondContact O-N 3.25Å; L412-G415 PolarHBondContact O-N 3.42Å; L412-L419 HydrophobicContact CD1-CD1 3.63Å; L412-L419 HydrophobicContact CD1-CG 3.8Å; L412-L419 HydrophobicContact CD2-CD2 4.48Å; L412-L419 HydrophobicContact CD2-CG 3.94Å; L412-L419 HydrophobicContact CG-CD1 3.91Å; L412-L419 HydrophobicContact CG-CD2 4.36Å; L412-L419 HydrophobicContact CG-CG 3.76Å |
| 413 | A | 97.2 | Very high | 97 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -32.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I290 L300 L305 L308 T409 V410 G415 | I290-A413 HydrophobicContact CD1-CB 3.87Å; I290-A413 HydrophobicContact CG1-CB 4.31Å; L300-A413 HydrophobicContact CD1-CB 3.77Å; L305-A413 HydrophobicContact CD2-CB 3.57Å; L308-A413 HydrophobicContact CD2-CB 3.78Å; T409-A413 PolarHBondContact O-N 3.29Å; V410-A413 WeakPolarHBondContact O-CB 3.26Å; V410-A413 PolarHBondContact O-N 2.79Å; A413-G415 PolarHBondContact O-N 3.16Å |
| 414 | A | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -1.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L305 V410 L411 L412 L437 Q439 L441 | L305-A414 HydrophobicContact CD1-CB 3.62Å; L305-A414 HydrophobicContact CD2-CB 4.27Å; V410-A414 WeakPolarHBondContact O-CB 3.45Å; V410-A414 PolarHBondContact O-N 3.45Å; L411-A414 WeakPolarHBondContact O-CB 3.37Å; L411-A414 PolarHBondContact O-N 3.36Å; L412-A414 PolarHBondContact O-N 3.25Å; A414-L437 HydrophobicContact CB-CD1 4.14Å; A414-L437 HydrophobicContact CB-CD2 4.14Å; A414-Q439 PolarHBondContact O-NE2 3.02Å; A414-L441 HydrophobicContact CB-CD1 4.2Å |
| 415 | G | 95.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 18.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L411 L412 A413 P438 | L411-G415 PolarHBondContact O-N 2.73Å; L412-G415 PolarHBondContact O-N 3.42Å; A413-G415 PolarHBondContact O-N 3.16Å; G415-P438 WeakPolarHBondContact O-CD 3.34Å; G415-P438 WeakPolarHBondContact O-CG 3.46Å |
| 416 | A | 95.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 37 Ų | 37 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 151.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L411 P435 L437 | L411-A416 HydrophobicContact CB-CB 4.35Å; L411-A416 WeakPolarHBondContact O-CB 3.49Å; L411-A416 PolarHBondContact O-N 2.92Å; A416-P435 HydrophobicContact CB-CB 4.4Å; A416-P435 HydrophobicContact CB-CG 3.8Å; A416-L437 HydrophobicContact CB-CD2 3.78Å |
| 417 | A | 93.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 60% | 0.595 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -57.2 | 155 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L419 | A417-L419 PolarHBondContact O-N 3.07Š|
| 418 | P | 94.4 | Very high | 96.5 | Very high | 122 Ų | 122 | 45 Ų | 45 | 79% | 0.792 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 125.2 | 179.1 | -27.5 | 35.4 | 0 | 0 | 0 | 112.2 | ||
| 419 | L | 96.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 133.5 | -173.6 | -64.4 | 178.7 | 0 | 0 | 0 | 111.5 | R384 F385 L408 L412 A417 L429 | R384-L419 HydrophobicContact CB-CB 3.99Å; R384-L419 WeakPolarHBondContact CD-O 3.43Å; R384-L419 HydrophobicContact CG-CB 4.5Å; F385-L419 HydrophobicContact CD1-CD1 4.12Å; F385-L419 HydrophobicContact CE1-CD1 3.72Å; F385-L419 HydrophobicContact CZ-CD1 3.96Å; L408-L419 HydrophobicContact CB-CD1 3.91Å; L408-L419 HydrophobicContact CD1-CD1 4.43Å; L408-L419 HydrophobicContact CD2-CD1 4.3Å; L408-L419 HydrophobicContact CD2-CD2 4.17Å; L408-L419 HydrophobicContact CG-CD1 4.46Å; L412-L419 HydrophobicContact CD1-CD1 3.63Å; L412-L419 HydrophobicContact CD1-CG 3.8Å; L412-L419 HydrophobicContact CD2-CD2 4.48Å; L412-L419 HydrophobicContact CD2-CG 3.94Å; L412-L419 HydrophobicContact CG-CD1 3.91Å; L412-L419 HydrophobicContact CG-CD2 4.36Å; L412-L419 HydrophobicContact CG-CG 3.76Å; A417-L419 PolarHBondContact O-N 3.07Å; L419-L429 HydrophobicContact CD2-CD1 3.98Å |
| 420 | P | 96.2 | Very high | 96.4 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 14% | 0.143 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 142.1 | 178.9 | 29.2 | -36.8 | 0 | 0 | 0 | 110.5 | E425 W426 L429 | P420-E425 HydrophobicContact CB-CB 4.14Å; P420-E425 HydrophobicContact CG-CB 3.79Å; P420-W426 HydrophobicContact CB-CB 4.37Å; P420-W426 HydrophobicContact CG-CB 4.09Å; P420-L429 HydrophobicContact CG-CD1 4.01Å |
| 421 | P | 95.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 50 Ų | 50 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -81 | -20 | 176.8 | 32.4 | -35 | 0 | 0 | 0 | 113.4 | S383 R384 | S383-P421 PolarHBondContact OG-O 3.4Å; R384-P421 HydrophobicContact CG-CB 4.23Å |
| 422 | N | 96.3 | Very high | 96.2 | Very high | 120 Ų | 120 | 51 Ų | 51 | 64% | 0.642 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -167.2 | -178.6 | 179.8 | 54.7 | 32.4 | 0 | 0 | 0 | 110.4 | ||
| 423 | G | 96.7 | Very high | 96.1 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 89.2 | -171.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E425 W426 H427 | G423-E425 VanDerWaalsContact C-N 3.35Å; G423-E425 PolarHBondContact O-N 3.15Å; G423-W426 WeakPolarHBondContact O-CA 3.26Å; G423-W426 VanDerWaalsContact O-CB 3.27Å; G423-W426 WeakPolarHBondContact O-CB 3.46Å; G423-W426 PolarHBondContact O-N 3.47Å; G423-H427 PolarHBondContact O-CD2 3.49Å; G423-H427 PolarHBondContact O-N 2.99Å; G423-H427 VanDerWaalsContact O-N 3.08Å |
| 424 | E | 96.4 | Very high | 95.9 | Very high | 134 Ų | 134 | 55.4 Ų | 55.4 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | -172.4 | -169.5 | 60.4 | -156.8 | 0 | 0 | 112.7 | W426 H427 R428 | E424-W426 VanDerWaalsContact C-N 3.27Å; E424-W426 PolarHBondContact O-N 3.37Å; E424-H427 PolarHBondContact O-N 3.17Å; E424-H427 VanDerWaalsContact O-N 3.1Å; E424-R428 WeakPolarHBondContact O-CG 3.48Å; E424-R428 PolarHBondContact O-N 3.48Å |
| 425 | E | 96 | Very high | 95.7 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.2 | -32.4 | 178 | -50.1 | -153.2 | 112.9 | 0 | 0 | 112.6 | P420 G423 R428 L429 | P420-E425 HydrophobicContact CB-CB 4.14Å; P420-E425 HydrophobicContact CG-CB 3.79Å; G423-E425 VanDerWaalsContact C-N 3.35Å; G423-E425 PolarHBondContact O-N 3.15Å; E425-R428 IonicContact OE1-NH2 2.79Å; E425-R428 PolarHBondContact OE1-NH2 3.44Å; E425-L429 WeakPolarHBondContact O-CG 3.3Å; E425-L429 PolarHBondContact O-N 2.96Å |
| 426 | W | 97.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 64.1 Ų | 64.1 | 4% | 0.038 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 172.3 | -176.9 | 103.9 | 0 | 0 | 0 | 110.3 | S383 L391 P420 G423 E424 R430 | S383-W426 PolarHBondContact O-NE1 3.12Å; L391-W426 HydrophobicContact CD2-CH2 3.61Å; L391-W426 HydrophobicContact CD2-CZ2 4.11Å; L391-W426 HydrophobicContact CD2-CZ3 4.33Å; P420-W426 HydrophobicContact CB-CB 4.37Å; P420-W426 HydrophobicContact CG-CB 4.09Å; G423-W426 WeakPolarHBondContact O-CA 3.26Å; G423-W426 VanDerWaalsContact O-CB 3.27Å; G423-W426 WeakPolarHBondContact O-CB 3.46Å; G423-W426 PolarHBondContact O-N 3.47Å; E424-W426 VanDerWaalsContact C-N 3.27Å; E424-W426 PolarHBondContact O-N 3.37Å; W426-R430 VanDerWaalsContact CD1-NH1 3.31Å; W426-R430 VanDerWaalsContact CE2-NE 3.32Å; W426-R430 HydrophobicContact CH2-CG 4.05Å; W426-R430 HydrophobicContact CZ2-CG 4.46Å; W426-R430 HydrophobicContact CZ3-CG 4.11Å; W426-R430 WeakPolarHBondContact O-CD 3.43Å; W426-R430 PolarHBondContact O-N 3.44Å; W426-R430 PolarHBondContact O-NH1 3.29Å; W426-R430 VanDerWaalsContact O-NH1 3.14Å |
| 427 | H | 96.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 65.4 Ų | 65.4 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65 | -46 | 178.5 | -71.7 | -63.6 | 0 | 0 | 0 | 112.6 | G423 E424 L429 R430 E431 | G423-H427 PolarHBondContact O-CD2 3.49Å; G423-H427 PolarHBondContact O-N 2.99Å; G423-H427 VanDerWaalsContact O-N 3.08Å; E424-H427 PolarHBondContact O-N 3.17Å; E424-H427 VanDerWaalsContact O-N 3.1Å; H427-L429 VanDerWaalsContact C-N 3.28Å; H427-L429 PolarHBondContact O-N 2.86Å; H427-R430 CarbonylContact O-C 3.5Å; H427-R430 WeakPolarHBondContact O-CA 3.35Å; H427-R430 PolarHBondContact O-N 3.47Å; H427-E431 PolarHBondContact O-N 3.46Å; H427-E431 VanDerWaalsContact O-N 3.09Å |
| 428 | R | 97.1 | Very high | 95.4 | Very high | 96 Ų | 96 | 66.2 Ų | 66.2 | 36% | 0.362 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.1 | -43.1 | 177.3 | -70.2 | -169.2 | -65 | 147.3 | -3.3 | 112.7 | E424 E425 R430 E431 Q433 | E424-R428 WeakPolarHBondContact O-CG 3.48Å; E424-R428 PolarHBondContact O-N 3.48Å; E425-R428 IonicContact OE1-NH2 2.79Å; E425-R428 PolarHBondContact OE1-NH2 3.44Å; R428-R430 VanDerWaalsContact C-N 3.28Å; R428-R430 PolarHBondContact O-N 2.83Å; R428-E431 WeakPolarHBondContact O-CA 3.45Å; R428-E431 WeakPolarHBondContact O-CB 3.18Å; R428-E431 PolarHBondContact O-N 3.13Å; R428-Q433 HydrophobicContact CB-CB 4.24Å; R428-Q433 VanDerWaalsContact O-CB 3.3Å; R428-Q433 WeakPolarHBondContact O-CB 3.44Å; R428-Q433 PolarHBondContact O-N 2.88Å; R428-Q433 VanDerWaalsContact O-N 3.12Å |
| 429 | L | 96.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -31.4 | 175.4 | -70.2 | 168.1 | 0 | 0 | 0 | 113.5 | L408 L419 P420 E425 H427 E431 P435 | L408-L429 HydrophobicContact CD2-CB 4.45Å; L408-L429 HydrophobicContact CD2-CD1 4.29Å; L408-L429 HydrophobicContact CD2-CD2 4.11Å; L419-L429 HydrophobicContact CD2-CD1 3.98Å; P420-L429 HydrophobicContact CG-CD1 4.01Å; E425-L429 WeakPolarHBondContact O-CG 3.3Å; E425-L429 PolarHBondContact O-N 2.96Å; H427-L429 VanDerWaalsContact C-N 3.28Å; H427-L429 PolarHBondContact O-N 2.86Å; L429-E431 VanDerWaalsContact C-N 3.29Å; L429-P435 HydrophobicContact CD2-CG 4.38Å |
| 430 | R | 97.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -85.4 | -3.7 | 176 | -78.6 | 78.9 | -174.1 | 162.4 | 4.2 | 112.7 | S383 R384 L386 K388 F404 W426 H427 R428 | S383-R430 PolarHBondContact O-NH2 3.29Å; R384-R430 VanDerWaalsContact C-NH2 3.31Å; R384-R430 PolarHBondContact O-NH2 2.67Å; L386-R430 PolarHBondContact O-NE 3.23Å; L386-R430 PolarHBondContact O-NH2 2.86Å; K388-R430 HydrophobicContact CB-CB 4.02Å; K388-R430 HydrophobicContact CB-CG 3.9Å; K388-R430 HydrophobicContact CD-CB 4.21Å; F404-R430 HydrophobicContact CE1-CG 4.33Å; F404-R430 HydrophobicContact CE2-CG 4.36Å; F404-R430 HydrophobicContact CZ-CG 3.68Å; W426-R430 VanDerWaalsContact CD1-NH1 3.31Å; W426-R430 VanDerWaalsContact CE2-NE 3.32Å; W426-R430 HydrophobicContact CH2-CG 4.05Å; W426-R430 HydrophobicContact CZ2-CG 4.46Å; W426-R430 HydrophobicContact CZ3-CG 4.11Å; W426-R430 WeakPolarHBondContact O-CD 3.43Å; W426-R430 PolarHBondContact O-N 3.44Å; W426-R430 PolarHBondContact O-NH1 3.29Å; W426-R430 VanDerWaalsContact O-NH1 3.14Å; H427-R430 CarbonylContact O-C 3.5Å; H427-R430 WeakPolarHBondContact O-CA 3.35Å; H427-R430 PolarHBondContact O-N 3.47Å; R428-R430 VanDerWaalsContact C-N 3.28Å; R428-R430 PolarHBondContact O-N 2.83Å |
| 431 | E | 97.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 70.8 Ų | 70.8 | 42% | 0.416 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 13.5 | 172.3 | -69.8 | 171.3 | -175 | 0 | 0 | 111.6 | H427 R428 L429 Q433 | H427-E431 PolarHBondContact O-N 3.46Å; H427-E431 VanDerWaalsContact O-N 3.09Å; R428-E431 WeakPolarHBondContact O-CA 3.45Å; R428-E431 WeakPolarHBondContact O-CB 3.18Å; R428-E431 PolarHBondContact O-N 3.13Å; L429-E431 VanDerWaalsContact C-N 3.29Å; E431-Q433 VanDerWaalsContact C-N 3.27Å; E431-Q433 HydrophobicContact CB-CG 4.39Å; E431-Q433 PolarHBondContact O-N 3.08Å; E431-Q433 PolarHBondContact OE2-NE2 3.28Å |
| 432 | G | 93.8 | Very high | 95.2 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 4.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L434 L453 | G432-L434 PolarHBondContact O-N 3.35Å; G432-L453 WeakPolarHBondContact CA-O 3.3Å |
| 433 | Q | 95.2 | Very high | 95.2 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | trans | -80.6 | 107.7 | -179.3 | -51.2 | 177.7 | 31.1 | 0 | 0 | 109.8 | R428 E431 | R428-Q433 HydrophobicContact CB-CB 4.24Å; R428-Q433 VanDerWaalsContact O-CB 3.3Å; R428-Q433 WeakPolarHBondContact O-CB 3.44Å; R428-Q433 PolarHBondContact O-N 2.88Å; R428-Q433 VanDerWaalsContact O-N 3.12Å; E431-Q433 VanDerWaalsContact C-N 3.27Å; E431-Q433 HydrophobicContact CB-CG 4.39Å; E431-Q433 PolarHBondContact O-N 3.08Å; E431-Q433 PolarHBondContact OE2-NE2 3.28Å | ||
| 434 | L | 93.7 | Very high | 95.2 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 146.6 | 178.1 | -92.5 | 59.3 | 0 | 0 | 0 | 111.8 | L411 G432 I446 L449 Q450 L453 | L411-L434 HydrophobicContact CD1-CG 4.15Å; L411-L434 HydrophobicContact CD2-CD2 4.08Å; L411-L434 HydrophobicContact CD2-CG 4.14Å; G432-L434 PolarHBondContact O-N 3.35Å; L434-I446 HydrophobicContact CD2-CG2 4.2Å; L434-L449 HydrophobicContact CD2-CB 4.14Å; L434-Q450 HydrophobicContact CD1-CB 4.4Å; L434-Q450 HydrophobicContact CD1-CG 3.62Å; L434-Q450 HydrophobicContact CD2-CG 3.87Å; L434-Q450 HydrophobicContact CG-CG 4.34Å; L434-L453 HydrophobicContact CD1-CB 4.38Å; L434-L453 HydrophobicContact CD1-CD2 3.87Å |
| 435 | P | 92.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 24% | 0.24 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 156.6 | 171.6 | 32.3 | -34.2 | 0 | 0 | 0 | 110.6 | L411 A416 L429 L437 | L411-P435 HydrophobicContact CD2-CG 4.46Å; A416-P435 HydrophobicContact CB-CB 4.4Å; A416-P435 HydrophobicContact CB-CG 3.8Å; L429-P435 HydrophobicContact CD2-CG 4.38Å; P435-L437 PolarHBondContact O-N 3.19Å |
| 436 | L | 90.9 | Very high | 95.2 | Very high | 170 Ų | 170 | 60 Ų | 60 | 89% | 0.89 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 130.1 | 168 | -64.3 | 175.2 | 0 | 0 | 0 | 109.4 | ||
| 437 | L | 94.2 | Very high | 95.2 | Very high | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 143.7 | 178 | -62.9 | 178.5 | 0 | 0 | 0 | 110.5 | L411 A414 A416 P435 Q439 L441 I446 | L411-L437 HydrophobicContact CD2-CD1 4.22Å; L411-L437 HydrophobicContact CD2-CD2 4.22Å; A414-L437 HydrophobicContact CB-CD1 4.14Å; A414-L437 HydrophobicContact CB-CD2 4.14Å; A416-L437 HydrophobicContact CB-CD2 3.78Å; P435-L437 PolarHBondContact O-N 3.19Å; L437-Q439 PolarHBondContact O-N 3.37Å; L437-L441 HydrophobicContact CD1-CD1 3.53Å; L437-L441 HydrophobicContact CD1-CG 4.24Å; L437-I446 HydrophobicContact CD1-CD1 4.07Å |
| 438 | P | 93.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 57.6 Ų | 57.6 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -73.9 | -9.3 | 177.1 | 30.9 | -36.6 | 0 | 0 | 0 | 113.7 | L299 G415 | L299-P438 HydrophobicContact CD1-CB 4.26Å; L299-P438 HydrophobicContact CD1-CG 3.7Å; L299-P438 HydrophobicContact CD2-CG 4.44Å; G415-P438 WeakPolarHBondContact O-CD 3.34Å; G415-P438 WeakPolarHBondContact O-CG 3.46Å |
| 439 | Q | 92.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 53 Ų | 53 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -122 | 150.4 | 177.3 | 62.3 | 175.3 | -52.8 | 0 | 0 | 111.4 | L299 L300 A414 L437 L441 | L299-Q439 HydrophobicContact CD1-CB 4.01Å; L299-Q439 HydrophobicContact CD1-CG 4.2Å; L300-Q439 PolarHBondContact O-NE2 3.34Å; L300-Q439 PolarHBondContact O-OE1 2.96Å; A414-Q439 PolarHBondContact O-NE2 3.02Å; L437-Q439 PolarHBondContact O-N 3.37Å; Q439-L441 HydrophobicContact CG-CD2 4.12Å; Q439-L441 HydrophobicContact CG-CG 4.41Å |
| 440 | Q | 93.3 | Very high | 95.3 | Very high | 197 Ų | 197 | 57 Ų | 57 | 92% | 0.921 | 32% | 0.322 | S | S | * | . | trans | -81 | 123.1 | 172.1 | -65.9 | -177.5 | -1.3 | 0 | 0 | 109.7 | ||||
| 441 | L | 95.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | trans | -109.5 | 153.3 | 171.2 | -58.5 | 179.6 | 0 | 0 | 0 | 109.3 | E302 L305 A414 L437 Q439 F445 I446 L449 | E302-L441 HydrophobicContact CB-CD2 3.89Å; E302-L441 HydrophobicContact CG-CD2 4.3Å; L305-L441 HydrophobicContact CD1-CD1 4.3Å; L305-L441 HydrophobicContact CD1-CD2 3.92Å; A414-L441 HydrophobicContact CB-CD1 4.2Å; L437-L441 HydrophobicContact CD1-CD1 3.53Å; L437-L441 HydrophobicContact CD1-CG 4.24Å; Q439-L441 HydrophobicContact CG-CD2 4.12Å; Q439-L441 HydrophobicContact CG-CG 4.41Å; L441-F445 HydrophobicContact CB-CD1 4.29Å; L441-F445 HydrophobicContact CD1-CD1 3.94Å; L441-F445 HydrophobicContact CD1-CE1 4.08Å; L441-F445 HydrophobicContact CD2-CD1 4.49Å; L441-F445 HydrophobicContact CG-CD1 4.48Å; L441-I446 HydrophobicContact CB-CD1 3.9Å; L441-I446 HydrophobicContact CB-CG1 4.01Å; L441-I446 HydrophobicContact CD1-CD1 4Å; L441-I446 HydrophobicContact CG-CD1 4.43Å; L441-L449 HydrophobicContact CD1-CD1 4.36Å | ||
| 442 | S | 95.9 | Very high | 95.3 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | trans | -58.9 | 141.5 | 179.1 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | E302 A444 F445 I446 | E302-S442 WeakPolarHBondContact OE1-CB 3.21Å; E302-S442 PolarHBondContact OE1-OG 3.42Å; E302-S442 WeakPolarHBondContact OE2-CB 3.44Å; E302-S442 PolarHBondContact OE2-N 2.9Å; E302-S442 PolarHBondContact OE2-OG 2.93Å; S442-A444 PolarHBondContact O-N 3.11Å; S442-A444 VanDerWaalsContact O-N 3.13Å; S442-F445 PolarHBondContact O-N 3.08Å; S442-F445 WeakPolarHBondContact OG-CB 3.33Å; S442-F445 PolarHBondContact OG-N 3.14Å; S442-I446 PolarHBondContact O-N 3.27Å | ||
| 443 | P | 95.9 | Very high | 95.5 | Very high | 115 Ų | 115 | 53.3 Ų | 53.3 | 75% | 0.747 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56 | -33.4 | 179.5 | -27.9 | 35.4 | 0 | 0 | 0 | 113.3 | I446 G447 | P443-I446 PolarHBondContact O-N 3.28Å; P443-G447 PolarHBondContact O-N 3.02Å |
| 444 | A | 95.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S442 L448 V471 | S442-A444 PolarHBondContact O-N 3.11Å; S442-A444 VanDerWaalsContact O-N 3.13Å; A444-L448 PolarHBondContact O-N 3.4Å; A444-V471 HydrophobicContact CB-CG2 3.73Å |
| 445 | F | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.8 | -37.6 | 174.6 | -170.5 | -128.9 | 0 | 0 | 0 | 112.1 | E302 L305 K306 L309 V410 L441 S442 L448 L449 V471 L472 | E302-F445 HydrophobicContact CG-CD1 3.79Å; E302-F445 HydrophobicContact CG-CE1 4.26Å; E302-F445 HydrophobicContact CG-CG 4.33Å; L305-F445 HydrophobicContact CB-CE1 3.79Å; L305-F445 HydrophobicContact CB-CZ 3.86Å; L305-F445 HydrophobicContact CD1-CE1 4.23Å; K306-F445 HydrophobicContact CG-CD2 3.91Å; K306-F445 HydrophobicContact CG-CE2 3.77Å; K306-F445 HydrophobicContact CG-CG 4.37Å; K306-F445 HydrophobicContact CG-CZ 4.12Å; L309-F445 HydrophobicContact CD2-CE2 3.94Å; V410-F445 HydrophobicContact CG1-CZ 4Å; L441-F445 HydrophobicContact CB-CD1 4.29Å; L441-F445 HydrophobicContact CD1-CD1 3.94Å; L441-F445 HydrophobicContact CD1-CE1 4.08Å; L441-F445 HydrophobicContact CD2-CD1 4.49Å; L441-F445 HydrophobicContact CG-CD1 4.48Å; S442-F445 PolarHBondContact O-N 3.08Å; S442-F445 WeakPolarHBondContact OG-CB 3.33Å; S442-F445 PolarHBondContact OG-N 3.14Å; F445-L448 HydrophobicContact CD2-CD2 4.33Å; F445-L448 WeakPolarHBondContact O-CB 3.42Å; F445-L448 PolarHBondContact O-N 3.29Å; F445-L449 HydrophobicContact CD1-CD1 4.35Å; F445-L449 HydrophobicContact CE1-CD1 4.11Å; F445-L449 HydrophobicContact CZ-CD1 4.36Å; F445-L449 HydrophobicContact CZ-CD2 4.44Å; F445-L449 WeakPolarHBondContact O-CG 3.5Å; F445-L449 PolarHBondContact O-N 2.75Å; F445-V471 HydrophobicContact CB-CG1 4.01Å; F445-V471 HydrophobicContact CD2-CG1 3.97Å; F445-V471 HydrophobicContact CG-CG1 4.45Å; F445-L472 HydrophobicContact CE2-CD2 4.2Å |
| 446 | I | 97 | Very high | 96.1 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 170.4 | -67.8 | -64.2 | 0 | 0 | 0 | 111.3 | L434 L437 L441 S442 P443 L448 L449 Q450 | L434-I446 HydrophobicContact CD2-CG2 4.2Å; L437-I446 HydrophobicContact CD1-CD1 4.07Å; L441-I446 HydrophobicContact CB-CD1 3.9Å; L441-I446 HydrophobicContact CB-CG1 4.01Å; L441-I446 HydrophobicContact CD1-CD1 4Å; L441-I446 HydrophobicContact CG-CD1 4.43Å; S442-I446 PolarHBondContact O-N 3.27Å; P443-I446 PolarHBondContact O-N 3.28Å; I446-L448 VanDerWaalsContact C-N 3.27Å; I446-L448 PolarHBondContact O-N 3.08Å; I446-L449 PolarHBondContact O-N 2.91Å; I446-L449 VanDerWaalsContact O-N 3.15Å; I446-Q450 WeakPolarHBondContact O-CG 3.27Å; I446-Q450 PolarHBondContact O-N 2.77Å |
| 447 | G | 97.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 47 Ų | 47 | 32% | 0.32 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P443 Q450 S451 | P443-G447 PolarHBondContact O-N 3.02Å; G447-Q450 PolarHBondContact O-N 3.35Å; G447-S451 PolarHBondContact O-N 3.09Å |
| 448 | L | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -43.9 | 173.1 | -171.8 | 59.5 | 0 | 0 | 0 | 112.1 | L309 A444 F445 I446 Q450 S451 L452 L466 V471 L472 | L309-L448 HydrophobicContact CD2-CD2 4.21Å; A444-L448 PolarHBondContact O-N 3.4Å; F445-L448 HydrophobicContact CD2-CD2 4.33Å; F445-L448 WeakPolarHBondContact O-CB 3.42Å; F445-L448 PolarHBondContact O-N 3.29Å; I446-L448 VanDerWaalsContact C-N 3.27Å; I446-L448 PolarHBondContact O-N 3.08Å; L448-Q450 VanDerWaalsContact C-N 3.34Å; L448-S451 PolarHBondContact O-N 3.24Å; L448-S451 PolarHBondContact O-OG 2.93Å; L448-L452 PolarHBondContact O-N 2.57Å; L448-L466 HydrophobicContact CD1-CD1 3.51Å; L448-L466 HydrophobicContact CD2-CD1 3.92Å; L448-L466 HydrophobicContact CG-CD1 4.01Å; L448-V471 HydrophobicContact CD2-CB 4.21Å; L448-V471 HydrophobicContact CD2-CG1 4.15Å; L448-L472 HydrophobicContact CD2-CD1 4.22Å; L448-L472 HydrophobicContact CD2-CD2 3.83Å; L448-L472 HydrophobicContact CD2-CG 3.89Å |
| 449 | L | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 175.7 | -66.2 | 175.3 | 0 | 0 | 0 | 112 | V410 L411 L434 L441 F445 I446 L452 L453 | V410-L449 HydrophobicContact CB-CD2 4.04Å; V410-L449 HydrophobicContact CG1-CD1 4.5Å; V410-L449 HydrophobicContact CG1-CD2 3.8Å; L411-L449 HydrophobicContact CD2-CD1 4.03Å; L434-L449 HydrophobicContact CD2-CB 4.14Å; L441-L449 HydrophobicContact CD1-CD1 4.36Å; F445-L449 HydrophobicContact CD1-CD1 4.35Å; F445-L449 HydrophobicContact CE1-CD1 4.11Å; F445-L449 HydrophobicContact CZ-CD1 4.36Å; F445-L449 HydrophobicContact CZ-CD2 4.44Å; F445-L449 WeakPolarHBondContact O-CG 3.5Å; F445-L449 PolarHBondContact O-N 2.75Å; I446-L449 PolarHBondContact O-N 2.91Å; I446-L449 VanDerWaalsContact O-N 3.15Å; L449-L452 HydrophobicContact CD2-CD1 4.34Å; L449-L452 WeakPolarHBondContact O-CB 3.41Å; L449-L452 PolarHBondContact O-N 2.8Å; L449-L453 PolarHBondContact O-N 3.48Å |
| 450 | Q | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 170 | -78.1 | 168.5 | -19.2 | 0 | 0 | 111.8 | L434 I446 G447 L448 L452 L453 D454 | L434-Q450 HydrophobicContact CD1-CB 4.4Å; L434-Q450 HydrophobicContact CD1-CG 3.62Å; L434-Q450 HydrophobicContact CD2-CG 3.87Å; L434-Q450 HydrophobicContact CG-CG 4.34Å; I446-Q450 WeakPolarHBondContact O-CG 3.27Å; I446-Q450 PolarHBondContact O-N 2.77Å; G447-Q450 PolarHBondContact O-N 3.35Å; L448-Q450 VanDerWaalsContact C-N 3.34Å; Q450-L452 PolarHBondContact O-N 3.28Å; Q450-L453 CarbonylContact O-C 3.48Å; Q450-L453 PolarHBondContact O-N 3.23Å; Q450-D454 PolarHBondContact O-N 2.84Å |
| 451 | S | 98 | Very high | 97.4 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -26.6 | 178.2 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | G447 L448 R460 P461 | G447-S451 PolarHBondContact O-N 3.09Å; L448-S451 PolarHBondContact O-N 3.24Å; L448-S451 PolarHBondContact O-OG 2.93Å; S451-R460 WeakPolarHBondContact O-CA 3.39Å; S451-P461 VanDerWaalsContact O-CD 3.32Å; S451-P461 WeakPolarHBondContact O-CD 3.41Å |
| 452 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.8 | -27.6 | 172.9 | -71.8 | 173.9 | 0 | 0 | 0 | 113 | L309 M403 F404 L448 L449 Q450 R460 P461 L466 | L309-L452 HydrophobicContact CD1-CD1 4.11Å; L309-L452 HydrophobicContact CD2-CD1 4.35Å; M403-L452 HydrophobicContact CB-CD2 3.88Å; M403-L452 HydrophobicContact CE-CD2 3.95Å; F404-L452 WeakPolarHBondContact CA-O 3.43Å; L448-L452 PolarHBondContact O-N 2.57Å; L449-L452 HydrophobicContact CD2-CD1 4.34Å; L449-L452 WeakPolarHBondContact O-CB 3.41Å; L449-L452 PolarHBondContact O-N 2.8Å; Q450-L452 PolarHBondContact O-N 3.28Å; L452-R460 WeakPolarHBondContact O-CD 3.33Å; L452-P461 HydrophobicContact CD2-CG 4.03Å; L452-L466 HydrophobicContact CD1-CD2 4.3Å; L452-L466 HydrophobicContact CD2-CD2 3.78Å; L452-L466 HydrophobicContact CG-CD2 4.45Å |
| 453 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 9.8 | -178.7 | -91.1 | 65.6 | 0 | 0 | 0 | 113.3 | F404 L408 L411 G432 L434 L449 Q450 | F404-L453 HydrophobicContact CD2-CG 4.24Å; F404-L453 HydrophobicContact CE2-CB 4.3Å; F404-L453 HydrophobicContact CE2-CG 3.93Å; L408-L453 HydrophobicContact CD2-CD2 3.97Å; L408-L453 HydrophobicContact CG-CD1 4.46Å; L411-L453 HydrophobicContact CD1-CD1 4.23Å; L411-L453 HydrophobicContact CD1-CD2 3.63Å; G432-L453 WeakPolarHBondContact CA-O 3.3Å; L434-L453 HydrophobicContact CD1-CB 4.38Å; L434-L453 HydrophobicContact CD1-CD2 3.87Å; L449-L453 PolarHBondContact O-N 3.48Å; Q450-L453 CarbonylContact O-C 3.48Å; Q450-L453 PolarHBondContact O-N 3.23Å |
| 454 | D | 98.3 | Very high | 97.6 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | trans | -54.4 | 132.7 | -178.9 | -164.1 | -67.2 | 0 | 0 | 0 | 111.4 | Q450 D456 N459 R460 | Q450-D454 PolarHBondContact O-N 2.84Å; D454-D456 PolarHBondContact O-N 3.37Å; D454-D456 PolarHBondContact OD1-N 2.69Å; D454-N459 HydrophobicContact CB-CB 4.14Å; D454-N459 VanDerWaalsContact CG-CB 3.45Å; D454-N459 PolarHBondContact OD1-ND2 2.96Å; D454-N459 WeakPolarHBondContact OD2-CB 3.37Å; D454-R460 HydrophobicContact CB-CG 3.87Å; D454-R460 PolarHBondContact O-NE 2.96Å; D454-R460 PolarHBondContact O-NH2 3.2Å; D454-R460 VanDerWaalsContact O-NH2 3.1Å | ||
| 455 | P | 97.7 | Very high | 97.6 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 47% | 0.468 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -58.4 | -33 | 179.4 | -25.6 | 35.7 | 0 | 0 | 0 | 113.2 | ||
| 456 | D | 97.9 | Very high | 97.6 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -90 | 116.3 | 175.1 | -172.9 | -16.2 | 0 | 0 | 0 | 110.1 | D454 V458 N459 | D454-D456 PolarHBondContact O-N 3.37Å; D454-D456 PolarHBondContact OD1-N 2.69Å; D456-V458 PolarHBondContact O-N 3.02Å; D456-V458 VanDerWaalsContact O-N 3.11Å; D456-V458 VanDerWaalsContact OD1-CB 3.29Å; D456-V458 WeakPolarHBondContact OD1-CB 3.38Å; D456-V458 WeakPolarHBondContact OD1-CG2 3.42Å; D456-V458 PolarHBondContact OD1-N 3.01Å; D456-N459 PolarHBondContact O-N 3.42Å; D456-N459 VanDerWaalsContact O-N 3.15Å |
| 457 | P | 98.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.4 | 176.7 | 27.5 | -37 | 0 | 0 | 0 | 113.2 | E389 H397 K400 | E389-P457 HydrophobicContact CG-CB 4.35Å; E389-P457 HydrophobicContact CG-CG 4.11Å; H397-P457 HydrophobicContact CB-CB 3.9Å; H397-P457 HydrophobicContact CB-CG 4.15Å; K400-P457 HydrophobicContact CB-CB 3.81Å; K400-P457 WeakPolarHBondContact CB-O 3.16Å; K400-P457 WeakPolarHBondContact CD-O 3.47Å; K400-P457 HydrophobicContact CG-CB 4.41Å; K400-P457 WeakPolarHBondContact CG-O 3.49Å; K400-P457 PolarHBondContact NZ-O 3.17Å |
| 458 | V | 97.5 | Very high | 97 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -40.7 | 176.9 | -179 | 0 | 0 | 0 | 0 | 111.2 | K400 D456 | K400-V458 PolarHBondContact NZ-O 3.34Å; D456-V458 PolarHBondContact O-N 3.02Å; D456-V458 VanDerWaalsContact O-N 3.11Å; D456-V458 VanDerWaalsContact OD1-CB 3.29Å; D456-V458 WeakPolarHBondContact OD1-CB 3.38Å; D456-V458 WeakPolarHBondContact OD1-CG2 3.42Å; D456-V458 PolarHBondContact OD1-N 3.01Å |
| 459 | N | 97.9 | Very high | 96.7 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -29.2 | -177.8 | -66.6 | -23.1 | 0 | 0 | 0 | 113.4 | D454 D456 | D454-N459 HydrophobicContact CB-CB 4.14Å; D454-N459 VanDerWaalsContact CG-CB 3.45Å; D454-N459 PolarHBondContact OD1-ND2 2.96Å; D454-N459 WeakPolarHBondContact OD2-CB 3.37Å; D456-N459 PolarHBondContact O-N 3.42Å; D456-N459 VanDerWaalsContact O-N 3.15Å |
| 460 | R | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.011 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -59.1 | 134.9 | 179.3 | -57.9 | 179 | -161.1 | 145.6 | 12.8 | 111.2 | E389 K400 S451 L452 D454 | E389-R460 IonicContact OE1-CZ 2.69Å; E389-R460 IonicContact OE1-NH1 2.84Å; E389-R460 PolarHBondContact OE1-NH1 3.08Å; E389-R460 IonicContact OE1-NH2 3.56Å; E389-R460 IonicContact OE2-CZ 3.61Å; E389-R460 IonicContact OE2-NH1 2.7Å; E389-R460 PolarHBondContact OE2-NH1 3.5Å; E389-R460 IonicContact OE2-NH2 3.74Å; E389-R460 PolarHBondContact OE2-NH2 2.78Å; K400-R460 HydrophobicContact CD-CB 4.34Å; K400-R460 WeakPolarHBondContact CD-O 3.3Å; K400-R460 WeakPolarHBondContact CE-O 3.29Å; K400-R460 PolarHBondContact NZ-O 2.85Å; K400-R460 WeakPolarHBondContact O-CD 3.44Å; K400-R460 PolarHBondContact O-NH1 2.94Å; S451-R460 WeakPolarHBondContact O-CA 3.39Å; L452-R460 WeakPolarHBondContact O-CD 3.33Å; D454-R460 HydrophobicContact CB-CG 3.87Å; D454-R460 PolarHBondContact O-NE 2.96Å; D454-R460 PolarHBondContact O-NH2 3.2Å; D454-R460 VanDerWaalsContact O-NH2 3.1Å |
| 461 | P | 98.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 139.4 | 178.7 | 27.5 | -34.5 | 0 | 0 | 0 | 111.1 | M403 S451 L452 E465 | M403-P461 WeakPolarHBondContact CG-O 3.39Å; S451-P461 VanDerWaalsContact O-CD 3.32Å; S451-P461 WeakPolarHBondContact O-CD 3.41Å; L452-P461 HydrophobicContact CD2-CG 4.03Å; P461-E465 HydrophobicContact CB-CB 4.5Å |
| 462 | S | 98.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 158.2 | 170.1 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | R464 E465 L466 | S462-R464 PolarHBondContact O-N 3.14Å; S462-R464 VanDerWaalsContact O-N 3.08Å; S462-E465 WeakPolarHBondContact CA-OE2 3.23Å; S462-E465 WeakPolarHBondContact CB-OE2 3.28Å; S462-E465 PolarHBondContact N-OE2 3.25Å; S462-E465 PolarHBondContact O-N 3.1Å; S462-E465 PolarHBondContact OG-N 3.04Å; S462-E465 PolarHBondContact OG-OE2 2.79Å; S462-L466 WeakPolarHBondContact O-CB 3.43Å; S462-L466 PolarHBondContact O-N 2.88Å |
| 463 | A | 97.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.2 | -27.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V313 L316 K317 M403 C467 | V313-A463 HydrophobicContact CG1-CB 4.16Å; V313-A463 VanDerWaalsContact CG1-O 3.26Å; V313-A463 WeakPolarHBondContact CG1-O 3.43Å; L316-A463 HydrophobicContact CB-CB 4.04Å; K317-A463 HydrophobicContact CB-CB 3.81Å; M403-A463 HydrophobicContact CE-CB 4.22Å; M403-A463 HydrophobicContact SD-CB 3.82Å; A463-C467 PolarHBondContact O-N 3.26Å; A463-C467 PolarHBondContact O-SG 3.33Å |
| 464 | R | 96.1 | Very high | 92.9 | Very high | 161 Ų | 161 | 59 Ų | 59 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.6 | -40.8 | 175.6 | -174.8 | -177.4 | -175.6 | -170.9 | 3.3 | 112.6 | S462 | S462-R464 PolarHBondContact O-N 3.14Å; S462-R464 VanDerWaalsContact O-N 3.08Å |
| 465 | E | 96.4 | Very high | 91 | Very high | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.4 | -43.7 | 176.8 | -72 | 148.9 | 157.7 | 0 | 0 | 110.3 | P461 S462 C467 R468 H469 | P461-E465 HydrophobicContact CB-CB 4.5Å; S462-E465 WeakPolarHBondContact CA-OE2 3.23Å; S462-E465 WeakPolarHBondContact CB-OE2 3.28Å; S462-E465 PolarHBondContact N-OE2 3.25Å; S462-E465 PolarHBondContact O-N 3.1Å; S462-E465 PolarHBondContact OG-N 3.04Å; S462-E465 PolarHBondContact OG-OE2 2.79Å; E465-C467 PolarHBondContact O-N 3.09Å; E465-R468 CarbonylContact O-C 3.56Å; E465-R468 WeakPolarHBondContact O-CA 3.41Å; E465-R468 WeakPolarHBondContact O-CB 3.32Å; E465-R468 PolarHBondContact O-N 2.88Å; E465-H469 PolarHBondContact O-N 3.19Å |
| 466 | L | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -34.9 | -177.9 | -169.5 | 54.5 | 0 | 0 | 0 | 113 | L309 V313 M403 L448 L452 S462 R468 H469 L472 | L309-L466 HydrophobicContact CD1-CD2 4.31Å; V313-L466 HydrophobicContact CG1-CB 3.84Å; V313-L466 HydrophobicContact CG1-CD2 4.29Å; V313-L466 HydrophobicContact CG1-CG 4.04Å; V313-L466 HydrophobicContact CG2-CD2 3.51Å; V313-L466 HydrophobicContact CG2-CG 3.94Å; M403-L466 HydrophobicContact CE-CB 4.36Å; M403-L466 HydrophobicContact CE-CD2 3.48Å; M403-L466 VanDerWaalsContact CE-CD2 3.48Å; L448-L466 HydrophobicContact CD1-CD1 3.51Å; L448-L466 HydrophobicContact CD2-CD1 3.92Å; L448-L466 HydrophobicContact CG-CD1 4.01Å; L452-L466 HydrophobicContact CD1-CD2 4.3Å; L452-L466 HydrophobicContact CD2-CD2 3.78Å; L452-L466 HydrophobicContact CG-CD2 4.45Å; S462-L466 WeakPolarHBondContact O-CB 3.43Å; S462-L466 PolarHBondContact O-N 2.88Å; L466-R468 PolarHBondContact O-N 3.49Å; L466-H469 HydrophobicContact CD1-CB 3.99Å; L466-H469 WeakPolarHBondContact O-CB 3.27Å; L466-H469 PolarHBondContact O-N 3.34Å; L466-L472 HydrophobicContact CD1-CD1 3.87Å; L466-L472 HydrophobicContact CG-CD1 4.05Å |
| 467 | C | 91.8 | Very high | 86.9 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -15.7 | 168.1 | -80.3 | 0 | 0 | 0 | 0 | 115.1 | K317 A463 E465 R473 | K317-C467 HydrophobicContact CD-CB 4.4Å; K317-C467 VanDerWaalsContact CD-SG 3.56Å; A463-C467 PolarHBondContact O-N 3.26Å; A463-C467 PolarHBondContact O-SG 3.33Å; E465-C467 PolarHBondContact O-N 3.09Å; C467-R473 PolarHBondContact O-NE 3.36Å; C467-R473 PolarHBondContact O-NH2 3.37Å |
| 468 | R | 89.8 | Confident | 85.1 | Confident | 167 Ų | 167 | 68.4 Ų | 68.4 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -1.6 | -178 | -63.5 | 172 | 167.2 | -177.2 | -9 | 112.4 | E465 L466 | E465-R468 CarbonylContact O-C 3.56Å; E465-R468 WeakPolarHBondContact O-CA 3.41Å; E465-R468 WeakPolarHBondContact O-CB 3.32Å; E465-R468 PolarHBondContact O-N 2.88Å; L466-R468 PolarHBondContact O-N 3.49Å |
| 469 | H | 92.4 | Very high | 83.4 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 28% | 0.282 | 34% | 0.338 | S | S | . | . | trans | -66.6 | 130.5 | -174.8 | -163 | -91.6 | 0 | 0 | 0 | 111.2 | E465 L466 V471 L472 | E465-H469 PolarHBondContact O-N 3.19Å; L466-H469 HydrophobicContact CD1-CB 3.99Å; L466-H469 WeakPolarHBondContact O-CB 3.27Å; L466-H469 PolarHBondContact O-N 3.34Å; H469-V471 VanDerWaalsContact C-N 3.31Å; H469-V471 WeakPolarHBondContact ND1-CB 3.47Å; H469-V471 PolarHBondContact O-N 3.08Å; H469-L472 PolarHBondContact O-N 3.06Å; H469-L472 VanDerWaalsContact O-N 3.07Å | ||
| 470 | P | 90.4 | Very high | 81.8 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -53.9 | -44.4 | -174 | -29.1 | 35.7 | 0 | 0 | 0 | 113.7 | L472 R473 E474 | P470-L472 PolarHBondContact O-N 2.92Å; P470-R473 WeakPolarHBondContact O-CA 3.48Å; P470-R473 PolarHBondContact O-N 3.1Å; P470-E474 WeakPolarHBondContact O-CG 3.39Å; P470-E474 PolarHBondContact O-N 3.25Å |
| 471 | V | 91.6 | Very high | 80.2 | Confident | 9 Ų | 9 | 77.4 Ų | 77.4 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.2 | -23.6 | 180 | 176.9 | 0 | 0 | 0 | 0 | 114.1 | K306 A444 F445 L448 H469 E474 | K306-V471 VanDerWaalsContact CD-O 3.27Å; K306-V471 WeakPolarHBondContact CD-O 3.44Å; K306-V471 VanDerWaalsContact CE-CG1 3.46Å; K306-V471 WeakPolarHBondContact CE-O 3.38Å; K306-V471 PolarHBondContact NZ-O 3.05Å; A444-V471 HydrophobicContact CB-CG2 3.73Å; F445-V471 HydrophobicContact CB-CG1 4.01Å; F445-V471 HydrophobicContact CD2-CG1 3.97Å; F445-V471 HydrophobicContact CG-CG1 4.45Å; L448-V471 HydrophobicContact CD2-CB 4.21Å; L448-V471 HydrophobicContact CD2-CG1 4.15Å; H469-V471 VanDerWaalsContact C-N 3.31Å; H469-V471 WeakPolarHBondContact ND1-CB 3.47Å; H469-V471 PolarHBondContact O-N 3.08Å; V471-E474 WeakPolarHBondContact CA-OE1 3.49Å |
| 472 | L | 87.6 | Confident | 78.8 | Confident | 13 Ų | 13 | 79.1 Ų | 79.1 | 7% | 0.068 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -98.2 | -10.4 | 176.9 | -54.6 | -174 | 0 | 0 | 0 | 113.2 | K306 L309 L310 F445 L448 L466 H469 P470 | K306-L472 HydrophobicContact CB-CD2 4.13Å; K306-L472 HydrophobicContact CG-CD2 3.99Å; L309-L472 HydrophobicContact CD2-CD1 4.06Å; L309-L472 HydrophobicContact CD2-CD2 4.04Å; L309-L472 HydrophobicContact CG-CD1 4.06Å; L310-L472 HydrophobicContact CB-CB 4.5Å; L310-L472 HydrophobicContact CB-CD1 4.49Å; L310-L472 HydrophobicContact CD1-CB 4.36Å; F445-L472 HydrophobicContact CE2-CD2 4.2Å; L448-L472 HydrophobicContact CD2-CD1 4.22Å; L448-L472 HydrophobicContact CD2-CD2 3.83Å; L448-L472 HydrophobicContact CD2-CG 3.89Å; L466-L472 HydrophobicContact CD1-CD1 3.87Å; L466-L472 HydrophobicContact CG-CD1 4.05Å; H469-L472 PolarHBondContact O-N 3.06Å; H469-L472 VanDerWaalsContact O-N 3.07Å; P470-L472 PolarHBondContact O-N 2.92Å |
| 473 | R | 75.4 | Confident | 77.6 | Confident | 115 Ų | 115 | 82.7 Ų | 82.7 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -108.1 | -17 | -177.1 | -76.2 | -173.7 | 168.4 | -101.2 | -8.7 | 114.8 | C467 P470 K475 Q476 T477 | C467-R473 PolarHBondContact O-NE 3.36Å; C467-R473 PolarHBondContact O-NH2 3.37Å; P470-R473 WeakPolarHBondContact O-CA 3.48Å; P470-R473 PolarHBondContact O-N 3.1Å; R473-K475 PolarHBondContact O-N 3.42Å; R473-Q476 PolarHBondContact O-N 3.31Å; R473-T477 WeakPolarHBondContact O-CB 3.16Å; R473-T477 PolarHBondContact O-N 3.26Å; R473-T477 PolarHBondContact O-OG1 3.47Å |
| 474 | E | 64.2 | Low | 76.7 | Confident | 66 Ų | 66 | 86.8 Ų | 86.8 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -36.4 | -67.2 | 175.7 | -78.8 | 153.5 | -171.7 | 0 | 0 | 111.8 | K306 P470 V471 Q476 T477 E478 | K306-E474 IonicContact NZ-OE2 2.81Å; K306-E474 PolarHBondContact NZ-OE2 3.12Å; P470-E474 WeakPolarHBondContact O-CG 3.39Å; P470-E474 PolarHBondContact O-N 3.25Å; V471-E474 WeakPolarHBondContact CA-OE1 3.49Å; E474-Q476 PolarHBondContact O-N 3.12Å; E474-T477 PolarHBondContact O-N 3.27Å; E474-T477 VanDerWaalsContact O-N 3.15Å; E474-E478 WeakPolarHBondContact O-CB 3.49Å; E474-E478 VanDerWaalsContact O-CG 3.23Å; E474-E478 WeakPolarHBondContact O-CG 3.46Å; E474-E478 PolarHBondContact O-N 3.37Å |
| 475 | K | 57.7 | Low | 75.9 | Confident | 110 Ų | 110 | 85.1 Ų | 85.1 | 48% | 0.478 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.9 | -31.1 | -172.6 | -70.4 | -170.6 | 173.1 | -174.8 | 0 | 116.3 | R473 R479 | R473-K475 PolarHBondContact O-N 3.42Å; K475-R479 WeakPolarHBondContact O-CB 3.45Å; K475-R479 VanDerWaalsContact O-CG 3.27Å; K475-R479 WeakPolarHBondContact O-CG 3.48Å; K475-R479 PolarHBondContact O-N 3.35Å; K475-R479 VanDerWaalsContact O-N 3.1Å |
| 476 | Q | 55.1 | Low | 75.1 | Confident | 112 Ų | 112 | 88.1 Ų | 88.1 | 52% | 0.523 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.4 | -39.8 | 174.1 | -85.4 | -174.6 | 1.3 | 0 | 0 | 110.9 | R473 E474 L480 | R473-Q476 PolarHBondContact O-N 3.31Å; E474-Q476 PolarHBondContact O-N 3.12Å; Q476-L480 VanDerWaalsContact O-CB 3.25Å; Q476-L480 WeakPolarHBondContact O-CB 3.32Å; Q476-L480 PolarHBondContact O-N 3.12Å |
| 477 | T | 55.2 | Low | 74.7 | Confident | 65 Ų | 65 | 92 Ų | 92 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.7 | -43.1 | 179.5 | -47.2 | 0 | 0 | 0 | 0 | 110.3 | R473 E474 N481 | R473-T477 WeakPolarHBondContact O-CB 3.16Å; R473-T477 PolarHBondContact O-N 3.26Å; R473-T477 PolarHBondContact O-OG1 3.47Å; E474-T477 PolarHBondContact O-N 3.27Å; E474-T477 VanDerWaalsContact O-N 3.15Å; T477-N481 WeakPolarHBondContact O-CB 3.35Å; T477-N481 PolarHBondContact O-N 2.76Å; T477-N481 PolarHBondContact O-ND2 3.24Å; T477-N481 PolarHBondContact O-OD1 2.81Å |
| 478 | E | 59.9 | Low | 74.6 | Confident | 111 Ų | 111 | 95.9 Ų | 95.9 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 175.4 | -73.4 | 158.3 | -169.3 | 0 | 0 | 112.5 | E474 N481 A482 | E474-E478 WeakPolarHBondContact O-CB 3.49Å; E474-E478 VanDerWaalsContact O-CG 3.23Å; E474-E478 WeakPolarHBondContact O-CG 3.46Å; E474-E478 PolarHBondContact O-N 3.37Å; E478-N481 PolarHBondContact O-N 3.24Å; E478-A482 VanDerWaalsContact O-CB 3.29Å; E478-A482 WeakPolarHBondContact O-CB 3.47Å; E478-A482 PolarHBondContact O-N 2.85Å |
| 479 | R | 62.2 | Low | 74.6 | Confident | 193 Ų | 193 | 92.3 Ų | 92.3 | 73% | 0.728 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 177.7 | -76.7 | 175.5 | 174.2 | 174.2 | -3.9 | 112.1 | K475 A482 Q483 | K475-R479 WeakPolarHBondContact O-CB 3.45Å; K475-R479 VanDerWaalsContact O-CG 3.27Å; K475-R479 WeakPolarHBondContact O-CG 3.48Å; K475-R479 PolarHBondContact O-N 3.35Å; K475-R479 VanDerWaalsContact O-N 3.1Å; R479-A482 PolarHBondContact O-N 3.25Å; R479-Q483 WeakPolarHBondContact O-CB 3.33Å; R479-Q483 PolarHBondContact O-N 2.88Å |
| 480 | L | 64.4 | Low | 74.6 | Confident | 95 Ų | 95 | 91.2 Ų | 91.2 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.8 | -173.5 | 67 | 0 | 0 | 0 | 111.3 | Q476 Q483 L484 | Q476-L480 VanDerWaalsContact O-CB 3.25Å; Q476-L480 WeakPolarHBondContact O-CB 3.32Å; Q476-L480 PolarHBondContact O-N 3.12Å; L480-Q483 PolarHBondContact O-N 2.68Å; L480-L484 HydrophobicContact CD1-CD1 4.45Å; L480-L484 HydrophobicContact CG-CD1 3.99Å; L480-L484 WeakPolarHBondContact O-CB 3.42Å; L480-L484 WeakPolarHBondContact O-CG 3.44Å; L480-L484 PolarHBondContact O-N 3.2Å |
| 481 | N | 64.3 | Low | 74.6 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 176.2 | -73.8 | -12.4 | 0 | 0 | 0 | 112.1 | T477 E478 L484 Q485 | T477-N481 WeakPolarHBondContact O-CB 3.35Å; T477-N481 PolarHBondContact O-N 2.76Å; T477-N481 PolarHBondContact O-ND2 3.24Å; T477-N481 PolarHBondContact O-OD1 2.81Å; E478-N481 PolarHBondContact O-N 3.24Å; N481-L484 PolarHBondContact O-N 3.4Å; N481-Q485 VanDerWaalsContact O-CB 3.27Å; N481-Q485 WeakPolarHBondContact O-CB 3.4Å; N481-Q485 WeakPolarHBondContact O-CG 3.27Å; N481-Q485 PolarHBondContact O-N 3.33Å |
| 482 | A | 68.2 | Low | 74.6 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E478 R479 Q485 W486 | E478-A482 VanDerWaalsContact O-CB 3.29Å; E478-A482 WeakPolarHBondContact O-CB 3.47Å; E478-A482 PolarHBondContact O-N 2.85Å; R479-A482 PolarHBondContact O-N 3.25Å; A482-Q485 PolarHBondContact O-N 3.05Å; A482-W486 WeakPolarHBondContact O-CB 3.49Å; A482-W486 PolarHBondContact O-N 3.44Å |
| 483 | Q | 74.3 | Confident | 74.9 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 173.4 | -177.3 | -177.9 | -14.9 | 0 | 0 | 111.3 | R479 L480 Q485 W486 E487 | R479-Q483 WeakPolarHBondContact O-CB 3.33Å; R479-Q483 PolarHBondContact O-N 2.88Å; L480-Q483 PolarHBondContact O-N 2.68Å; Q483-Q485 VanDerWaalsContact C-N 3.29Å; Q483-Q485 PolarHBondContact O-N 3.45Å; Q483-W486 WeakPolarHBondContact O-CB 3.37Å; Q483-W486 PolarHBondContact O-N 3.21Å; Q483-W486 VanDerWaalsContact O-N 3.12Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.5Å; Q483-E487 PolarHBondContact NE2-OE1 2.99Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.46Å |
| 484 | L | 79 | Confident | 75.7 | Confident | 87 Ų | 87 | 103.8 Ų | 103.8 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -34.6 | 178 | -73 | 170.3 | 0 | 0 | 0 | 112.4 | L480 N481 L488 | L480-L484 HydrophobicContact CD1-CD1 4.45Å; L480-L484 HydrophobicContact CG-CD1 3.99Å; L480-L484 WeakPolarHBondContact O-CB 3.42Å; L480-L484 WeakPolarHBondContact O-CG 3.44Å; L480-L484 PolarHBondContact O-N 3.2Å; N481-L484 PolarHBondContact O-N 3.4Å; L484-L488 WeakPolarHBondContact O-CB 2.92Å; L484-L488 PolarHBondContact O-N 3.35Å |
| 485 | Q | 79.3 | Confident | 77.1 | Confident | 126 Ų | 126 | 103.9 Ų | 103.9 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.9 | -39.7 | 173.3 | -79.5 | 177.8 | -2.1 | 0 | 0 | 111.9 | N481 A482 Q483 N489 | N481-Q485 VanDerWaalsContact O-CB 3.27Å; N481-Q485 WeakPolarHBondContact O-CB 3.4Å; N481-Q485 WeakPolarHBondContact O-CG 3.27Å; N481-Q485 PolarHBondContact O-N 3.33Å; A482-Q485 PolarHBondContact O-N 3.05Å; Q483-Q485 VanDerWaalsContact C-N 3.29Å; Q483-Q485 PolarHBondContact O-N 3.45Å; Q485-N489 WeakPolarHBondContact O-CB 3.48Å; Q485-N489 PolarHBondContact O-N 2.96Å; Q485-N489 PolarHBondContact O-ND2 3.25Å |
| 486 | W | 79.9 | Confident | 78.8 | Confident | 178 Ų | 178 | 101.2 Ų | 101.2 | 67% | 0.674 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -50.6 | 174.9 | -177.8 | 91.8 | 0 | 0 | 0 | 111.2 | A482 Q483 L488 N489 V490 | A482-W486 WeakPolarHBondContact O-CB 3.49Å; A482-W486 PolarHBondContact O-N 3.44Å; Q483-W486 WeakPolarHBondContact O-CB 3.37Å; Q483-W486 PolarHBondContact O-N 3.21Å; Q483-W486 VanDerWaalsContact O-N 3.12Å; W486-L488 VanDerWaalsContact C-N 3.32Å; W486-L488 PolarHBondContact O-N 3Å; W486-N489 PolarHBondContact O-N 3.38Å; W486-V490 HydrophobicContact CD2-CG2 4.07Å; W486-V490 HydrophobicContact CE3-CG2 4.2Å; W486-V490 HydrophobicContact CH2-CG2 4.09Å; W486-V490 HydrophobicContact CZ2-CG2 3.95Å; W486-V490 HydrophobicContact CZ3-CG2 4.21Å; W486-V490 WeakPolarHBondContact O-CG2 3.26Å; W486-V490 PolarHBondContact O-N 2.69Å |
| 487 | E | 85.3 | Confident | 80.6 | Confident | 82 Ų | 82 | 100.5 Ų | 100.5 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 175.6 | -70.8 | 175.5 | -166.9 | 0 | 0 | 111.4 | Q483 N489 V490 E491 | Q483-E487 WeakPolarHBondContact CG-OE1 3.5Å; Q483-E487 PolarHBondContact NE2-OE1 2.99Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.46Å; E487-N489 VanDerWaalsContact C-N 3.33Å; E487-N489 PolarHBondContact O-N 2.63Å; E487-V490 PolarHBondContact O-N 2.82Å; E487-E491 PolarHBondContact O-N 2.74Å |
| 488 | L | 90.3 | Very high | 82.4 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 175.7 | 178.4 | 63.8 | 0 | 0 | 0 | 112.6 | L484 W486 K492 | L484-L488 WeakPolarHBondContact O-CB 2.92Å; L484-L488 PolarHBondContact O-N 3.35Å; W486-L488 VanDerWaalsContact C-N 3.32Å; W486-L488 PolarHBondContact O-N 3Å; L488-K492 HydrophobicContact CG-CD 4.28Å; L488-K492 WeakPolarHBondContact O-CB 3.47Å; L488-K492 WeakPolarHBondContact O-CG 3.43Å; L488-K492 PolarHBondContact O-N 3.27Å |
| 489 | N | 90.1 | Very high | 84.1 | Confident | 92 Ų | 92 | 103.3 Ų | 103.3 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.9 | -36.8 | 178.5 | -71.4 | -19.9 | 0 | 0 | 0 | 111.9 | Q485 W486 E487 K492 F493 | Q485-N489 WeakPolarHBondContact O-CB 3.48Å; Q485-N489 PolarHBondContact O-N 2.96Å; Q485-N489 PolarHBondContact O-ND2 3.25Å; W486-N489 PolarHBondContact O-N 3.38Å; E487-N489 VanDerWaalsContact C-N 3.33Å; E487-N489 PolarHBondContact O-N 2.63Å; N489-K492 PolarHBondContact O-N 3.43Å; N489-F493 PolarHBondContact O-N 3.34Å |
| 490 | V | 92.9 | Very high | 85.6 | Confident | 38 Ų | 38 | 100.5 Ų | 100.5 | 23% | 0.23 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 172.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | W486 E487 F493 R494 | W486-V490 HydrophobicContact CD2-CG2 4.07Å; W486-V490 HydrophobicContact CE3-CG2 4.2Å; W486-V490 HydrophobicContact CH2-CG2 4.09Å; W486-V490 HydrophobicContact CZ2-CG2 3.95Å; W486-V490 HydrophobicContact CZ3-CG2 4.21Å; W486-V490 WeakPolarHBondContact O-CG2 3.26Å; W486-V490 PolarHBondContact O-N 2.69Å; E487-V490 PolarHBondContact O-N 2.82Å; V490-F493 PolarHBondContact O-N 3.11Å; V490-R494 WeakPolarHBondContact O-CG 3.28Å; V490-R494 PolarHBondContact O-N 2.88Å |
| 491 | E | 89.9 | Confident | 87 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 178.1 | -74.8 | -55.5 | 135.3 | 0 | 0 | 113.3 | E487 F493 R494 T495 | E487-E491 PolarHBondContact O-N 2.74Å; E491-F493 VanDerWaalsContact C-N 3.33Å; E491-F493 PolarHBondContact O-N 2.79Å; E491-R494 PolarHBondContact O-N 3.24Å; E491-R494 WeakPolarHBondContact OE1-CD 3.4Å; E491-R494 IonicContact OE1-CZ 3.78Å; E491-R494 IonicContact OE1-NE 3.65Å; E491-R494 IonicContact OE1-NH1 3.89Å; E491-R494 PolarHBondContact OE1-NH1 3.37Å; E491-T495 WeakPolarHBondContact O-CB 3.39Å; E491-T495 PolarHBondContact O-N 3.15Å; E491-T495 PolarHBondContact O-OG1 3.15Å |
| 492 | K | 92.4 | Very high | 88.3 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 170.2 | -78.7 | 168.6 | -179.3 | 170.3 | 0 | 111.8 | L488 N489 T495 A496 | L488-K492 HydrophobicContact CG-CD 4.28Å; L488-K492 WeakPolarHBondContact O-CB 3.47Å; L488-K492 WeakPolarHBondContact O-CG 3.43Å; L488-K492 PolarHBondContact O-N 3.27Å; N489-K492 PolarHBondContact O-N 3.43Å; K492-T495 PolarHBondContact O-N 3.36Å; K492-A496 PolarHBondContact O-N 3.22Å |
| 493 | F | 92.4 | Very high | 89.5 | Confident | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.614 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.8 | -44.1 | 178.2 | -176.1 | -95.7 | 0 | 0 | 0 | 112.1 | N489 V490 E491 T495 A496 M497 | N489-F493 PolarHBondContact O-N 3.34Å; V490-F493 PolarHBondContact O-N 3.11Å; E491-F493 VanDerWaalsContact C-N 3.33Å; E491-F493 PolarHBondContact O-N 2.79Å; F493-T495 VanDerWaalsContact C-N 3.32Å; F493-T495 PolarHBondContact O-N 3.44Å; F493-A496 PolarHBondContact O-N 3.43Å; F493-M497 HydrophobicContact CD1-CG 4.34Å; F493-M497 HydrophobicContact CE1-CG 3.89Å; F493-M497 HydrophobicContact CE1-SD 4.44Å; F493-M497 HydrophobicContact CZ-CG 4.17Å; F493-M497 HydrophobicContact CZ-SD 4.49Å; F493-M497 PolarHBondContact O-N 2.84Å |
| 494 | R | 92.5 | Very high | 90.3 | Very high | 139 Ų | 139 | 104 Ų | 104 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 173.4 | -73.7 | 172.6 | 175.3 | 163.1 | 2.5 | 112 | V490 E491 M497 L498 | V490-R494 WeakPolarHBondContact O-CG 3.28Å; V490-R494 PolarHBondContact O-N 2.88Å; E491-R494 PolarHBondContact O-N 3.24Å; E491-R494 WeakPolarHBondContact OE1-CD 3.4Å; E491-R494 IonicContact OE1-CZ 3.78Å; E491-R494 IonicContact OE1-NE 3.65Å; E491-R494 IonicContact OE1-NH1 3.89Å; E491-R494 PolarHBondContact OE1-NH1 3.37Å; R494-M497 PolarHBondContact O-N 3.24Å; R494-L498 WeakPolarHBondContact O-CG 3.43Å; R494-L498 PolarHBondContact O-N 3.14Å; R494-L498 VanDerWaalsContact O-N 3.13Å |
| 495 | T | 93.1 | Very high | 90.7 | Very high | 67 Ų | 67 | 102.6 Ų | 102.6 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 178 | -54.3 | 0 | 0 | 0 | 0 | 111 | E491 K492 F493 M497 L498 E499 | E491-T495 WeakPolarHBondContact O-CB 3.39Å; E491-T495 PolarHBondContact O-N 3.15Å; E491-T495 PolarHBondContact O-OG1 3.15Å; K492-T495 PolarHBondContact O-N 3.36Å; F493-T495 VanDerWaalsContact C-N 3.32Å; F493-T495 PolarHBondContact O-N 3.44Å; T495-M497 VanDerWaalsContact C-N 3.33Å; T495-M497 PolarHBondContact O-N 3.23Å; T495-L498 PolarHBondContact O-N 3.04Å; T495-E499 HydrophobicContact CG2-CG 4.46Å; T495-E499 WeakPolarHBondContact O-CG 3.17Å; T495-E499 PolarHBondContact O-N 3.46Å |
| 496 | A | 94.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | K492 F493 K500 | K492-A496 PolarHBondContact O-N 3.22Å; F493-A496 PolarHBondContact O-N 3.43Å; A496-K500 WeakPolarHBondContact O-CB 3.44Å; A496-K500 PolarHBondContact O-N 3.34Å; A496-K500 VanDerWaalsContact O-N 3.07Å |
| 497 | M | 93.2 | Very high | 91.6 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 171.5 | -81.5 | -98.5 | -67.4 | 0 | 0 | 111.7 | F493 R494 T495 E499 K500 E501 | F493-M497 HydrophobicContact CD1-CG 4.34Å; F493-M497 HydrophobicContact CE1-CG 3.89Å; F493-M497 HydrophobicContact CE1-SD 4.44Å; F493-M497 HydrophobicContact CZ-CG 4.17Å; F493-M497 HydrophobicContact CZ-SD 4.49Å; F493-M497 PolarHBondContact O-N 2.84Å; R494-M497 PolarHBondContact O-N 3.24Å; T495-M497 VanDerWaalsContact C-N 3.33Å; T495-M497 PolarHBondContact O-N 3.23Å; M497-E499 VanDerWaalsContact C-N 3.34Å; M497-E499 PolarHBondContact O-N 3.28Å; M497-K500 WeakPolarHBondContact O-CB 3.25Å; M497-K500 PolarHBondContact O-N 3.09Å; M497-E501 PolarHBondContact O-N 2.94Å |
| 498 | L | 93.1 | Very high | 91.5 | Very high | 112 Ų | 112 | 100.7 Ų | 100.7 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.4 | -35.7 | -179.6 | -69.6 | 170.6 | 0 | 0 | 0 | 112.6 | R494 T495 L502 | R494-L498 WeakPolarHBondContact O-CG 3.43Å; R494-L498 PolarHBondContact O-N 3.14Å; R494-L498 VanDerWaalsContact O-N 3.13Å; T495-L498 PolarHBondContact O-N 3.04Å; L498-L502 WeakPolarHBondContact O-CB 3.37Å; L498-L502 PolarHBondContact O-N 3.28Å |
| 499 | E | 94 | Very high | 91.1 | Very high | 123 Ų | 123 | 100.5 Ų | 100.5 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 173.4 | -74.4 | 179.7 | 160.7 | 0 | 0 | 111.9 | T495 M497 L502 Q503 | T495-E499 HydrophobicContact CG2-CG 4.46Å; T495-E499 WeakPolarHBondContact O-CG 3.17Å; T495-E499 PolarHBondContact O-N 3.46Å; M497-E499 VanDerWaalsContact C-N 3.34Å; M497-E499 PolarHBondContact O-N 3.28Å; E499-L502 PolarHBondContact O-N 2.74Å; E499-Q503 WeakPolarHBondContact O-CB 3.19Å; E499-Q503 PolarHBondContact O-N 3.49Å |
| 500 | K | 94 | Very high | 90.5 | Very high | 133 Ų | 133 | 103.1 Ų | 103.1 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -49.4 | 174.4 | -178.2 | -177.7 | 166.8 | -173.3 | 0 | 111.6 | A496 M497 L502 Q503 E504 | A496-K500 WeakPolarHBondContact O-CB 3.44Å; A496-K500 PolarHBondContact O-N 3.34Å; A496-K500 VanDerWaalsContact O-N 3.07Å; M497-K500 WeakPolarHBondContact O-CB 3.25Å; M497-K500 PolarHBondContact O-N 3.09Å; K500-L502 VanDerWaalsContact C-N 3.3Å; K500-L502 PolarHBondContact O-N 3.24Å; K500-Q503 PolarHBondContact O-N 3.43Å; K500-Q503 VanDerWaalsContact O-N 3.09Å; K500-E504 WeakPolarHBondContact CE-OE1 3.22Å; K500-E504 IonicContact NZ-OE1 2.67Å; K500-E504 WeakPolarHBondContact O-CG 3.44Å; K500-E504 PolarHBondContact O-N 3.39Å |
| 501 | E | 93.3 | Very high | 89.1 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 175.9 | -72.7 | -178.2 | 177.1 | 0 | 0 | 111.8 | M497 Q503 E504 A505 | M497-E501 PolarHBondContact O-N 2.94Å; E501-Q503 VanDerWaalsContact C-N 3.31Å; E501-Q503 PolarHBondContact O-N 3.31Å; E501-E504 PolarHBondContact O-N 3.22Å; E501-A505 VanDerWaalsContact O-CB 3.27Å; E501-A505 WeakPolarHBondContact O-CB 3.29Å; E501-A505 PolarHBondContact O-N 3.18Å |
| 502 | L | 92.6 | Very high | 87.6 | Confident | 86 Ų | 86 | 106 Ų | 106 | 45% | 0.45 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.4 | -38.2 | 175.6 | -178.4 | 67.4 | 0 | 0 | 0 | 111.8 | L498 E499 K500 R506 | L498-L502 WeakPolarHBondContact O-CB 3.37Å; L498-L502 PolarHBondContact O-N 3.28Å; E499-L502 PolarHBondContact O-N 2.74Å; K500-L502 VanDerWaalsContact C-N 3.3Å; K500-L502 PolarHBondContact O-N 3.24Å; L502-R506 WeakPolarHBondContact O-CB 3.31Å; L502-R506 WeakPolarHBondContact O-CD 3.5Å; L502-R506 WeakPolarHBondContact O-CG 3.26Å; L502-R506 PolarHBondContact O-N 3.38Å |
| 503 | Q | 92.4 | Very high | 85.7 | Confident | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.9 | -41.4 | 178.1 | -174.1 | 156 | -34.6 | 0 | 0 | 112.1 | E499 K500 E501 R506 Q507 | E499-Q503 WeakPolarHBondContact O-CB 3.19Å; E499-Q503 PolarHBondContact O-N 3.49Å; K500-Q503 PolarHBondContact O-N 3.43Å; K500-Q503 VanDerWaalsContact O-N 3.09Å; E501-Q503 VanDerWaalsContact C-N 3.31Å; E501-Q503 PolarHBondContact O-N 3.31Å; Q503-R506 PolarHBondContact O-N 3.34Å; Q503-Q507 WeakPolarHBondContact O-CG 3.21Å; Q503-Q507 PolarHBondContact O-N 3.12Å |
| 504 | E | 91.9 | Very high | 83.7 | Confident | 101 Ų | 101 | 112 Ų | 112 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.8 | -44.9 | 172.8 | -71.6 | 177.5 | -177.9 | 0 | 0 | 111.3 | K500 E501 R506 Q507 A508 | K500-E504 WeakPolarHBondContact CE-OE1 3.22Å; K500-E504 IonicContact NZ-OE1 2.67Å; K500-E504 WeakPolarHBondContact O-CG 3.44Å; K500-E504 PolarHBondContact O-N 3.39Å; E501-E504 PolarHBondContact O-N 3.22Å; E504-R506 VanDerWaalsContact C-N 3.34Å; E504-R506 PolarHBondContact O-N 3.5Å; E504-Q507 PolarHBondContact O-N 2.97Å; E504-A508 WeakPolarHBondContact O-CB 3.46Å; E504-A508 PolarHBondContact O-N 3.21Å |
| 505 | A | 88.5 | Confident | 81.4 | Confident | 58 Ų | 58 | 112.9 Ų | 112.9 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.9 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E501 A509 | E501-A505 VanDerWaalsContact O-CB 3.27Å; E501-A505 WeakPolarHBondContact O-CB 3.29Å; E501-A505 PolarHBondContact O-N 3.18Å; A505-A509 WeakPolarHBondContact O-CB 3.36Å; A505-A509 PolarHBondContact O-N 3.19Å |
| 506 | R | 89.8 | Confident | 78.9 | Confident | 154 Ų | 154 | 118 Ų | 118 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.1 | -43.5 | 173 | -77.9 | 167.8 | 175.9 | 178.7 | 0.1 | 112 | L502 Q503 E504 A509 L510 | L502-R506 WeakPolarHBondContact O-CB 3.31Å; L502-R506 WeakPolarHBondContact O-CD 3.5Å; L502-R506 WeakPolarHBondContact O-CG 3.26Å; L502-R506 PolarHBondContact O-N 3.38Å; Q503-R506 PolarHBondContact O-N 3.34Å; E504-R506 VanDerWaalsContact C-N 3.34Å; E504-R506 PolarHBondContact O-N 3.5Å; R506-A509 PolarHBondContact O-N 2.92Å; R506-L510 WeakPolarHBondContact O-CD1 3.47Å; R506-L510 WeakPolarHBondContact O-CG 3.15Å; R506-L510 PolarHBondContact O-N 3.44Å; R506-L510 VanDerWaalsContact O-N 3.16Å |
| 507 | Q | 87.8 | Confident | 76.5 | Confident | 120 Ų | 120 | 121.1 Ų | 121.1 | 56% | 0.561 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.3 | -42.6 | 176.7 | -72.4 | 177.4 | 4.9 | 0 | 0 | 111.7 | Q503 E504 A509 L510 S511 | Q503-Q507 WeakPolarHBondContact O-CG 3.21Å; Q503-Q507 PolarHBondContact O-N 3.12Å; E504-Q507 PolarHBondContact O-N 2.97Å; Q507-A509 VanDerWaalsContact C-N 3.33Å; Q507-A509 PolarHBondContact O-N 3.47Å; Q507-L510 PolarHBondContact O-N 2.87Å; Q507-L510 VanDerWaalsContact O-N 3.15Å; Q507-S511 PolarHBondContact O-N 3.15Å |
| 508 | A | 83.7 | Confident | 73.9 | Confident | 71 Ų | 71 | 121.4 Ų | 121.4 | 59% | 0.587 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -62.1 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E504 L510 S511 | E504-A508 WeakPolarHBondContact O-CB 3.46Å; E504-A508 PolarHBondContact O-N 3.21Å; A508-L510 VanDerWaalsContact C-N 3.29Å; A508-L510 PolarHBondContact O-N 3.38Å; A508-S511 WeakPolarHBondContact O-CB 3.38Å; A508-S511 PolarHBondContact O-N 2.88Å |
| 509 | A | 79.9 | Confident | 71.4 | Confident | 86 Ų | 86 | 120.7 Ų | 120.7 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.3 | -22.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | A505 R506 Q507 | A505-A509 WeakPolarHBondContact O-CB 3.36Å; A505-A509 PolarHBondContact O-N 3.19Å; R506-A509 PolarHBondContact O-N 2.92Å; Q507-A509 VanDerWaalsContact C-N 3.33Å; Q507-A509 PolarHBondContact O-N 3.47Å |
| 510 | L | 78.9 | Confident | 68.6 | Low | 147 Ų | 147 | 123.3 Ų | 123.3 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -91.1 | -4.9 | 176.5 | -70 | 166 | 0 | 0 | 0 | 113.2 | R506 Q507 A508 | R506-L510 WeakPolarHBondContact O-CD1 3.47Å; R506-L510 WeakPolarHBondContact O-CG 3.15Å; R506-L510 PolarHBondContact O-N 3.44Å; R506-L510 VanDerWaalsContact O-N 3.16Å; Q507-L510 PolarHBondContact O-N 2.87Å; Q507-L510 VanDerWaalsContact O-N 3.15Å; A508-L510 VanDerWaalsContact C-N 3.29Å; A508-L510 PolarHBondContact O-N 3.38Å |
| 511 | S | 62.5 | Low | 65.9 | Low | 80 Ų | 80 | 126.2 Ų | 126.2 | 56% | 0.559 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -77.3 | 130.3 | 178.8 | -172.4 | 0 | 0 | 0 | 0 | 112 | Q507 A508 K513 | Q507-S511 PolarHBondContact O-N 3.15Å; A508-S511 WeakPolarHBondContact O-CB 3.38Å; A508-S511 PolarHBondContact O-N 2.88Å; S511-K513 PolarHBondContact O-N 3.2Å |
| 512 | P | 59 | Low | 64.5 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | trans | -68.2 | 125.5 | 179.3 | -17.5 | 30.7 | 0 | 0 | 0 | 112 | Q514 | P512-Q514 PolarHBondContact O-N 3.39Å; P512-Q514 VanDerWaalsContact O-N 3.1Å | ||
| 513 | K | 53.2 | Low | 62.2 | Low | 198 Ų | 198 | 127.8 Ų | 127.8 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | -63.8 | 112.1 | 169.3 | -71.4 | -175.9 | 178 | 180 | 0 | 109.8 | S511 N515 | S511-K513 PolarHBondContact O-N 3.2Å; K513-N515 PolarHBondContact O-N 3.35Å | ||
| 514 | Q | 48.8 | Very low | 59.5 | Low | 184 Ų | 184 | 126.8 Ų | 126.8 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -67.7 | 123.5 | 169 | -73 | -174.4 | -15.8 | 0 | 0 | 109.9 | P512 L516 | P512-Q514 PolarHBondContact O-N 3.39Å; P512-Q514 VanDerWaalsContact O-N 3.1Å; Q514-L516 PolarHBondContact O-N 3.3Å | ||
| 515 | N | 44.7 | Very low | 57 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -75.4 | 118.5 | 173.6 | -75.4 | -38.7 | 0 | 0 | 0 | 110 | K513 | K513-N515 PolarHBondContact O-N 3.35Š| ||
| 516 | L | 41.6 | Very low | 54.4 | Low | 176 Ų | 176 | 135.2 Ų | 135.2 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -111.3 | 106.3 | 162.1 | -91.4 | 159.7 | 0 | 0 | 0 | 108.6 | Q514 | Q514-L516 PolarHBondContact O-N 3.3Š| ||
| 517 | S | 42.7 | Very low | 51.7 | Low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -109.9 | 116.5 | 175.9 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 518 | A | 39.2 | Very low | 49.2 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -150.4 | 126.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 519 | A | 40.7 | Very low | 47.1 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -90.6 | 147.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 520 | L | 35.7 | Very low | 45.6 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -167.8 | 141.6 | 148.6 | -99.3 | 152.4 | 0 | 0 | 0 | 109 | ||||
| 521 | K | 37.6 | Very low | 44.1 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -127.1 | 176.6 | 175.8 | -67.6 | -176.7 | 171.7 | 178.7 | 0 | 108.6 | ||||
| 522 | P | 64.2 | Low | 43 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | -119.2 | -172 | -74.8 | 39.8 | -22.7 | 0 | 0 | 0 | 110 | |||||
| 523 | P | 44.2 | Very low | 42 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | -157.8 | 155.4 | 89.1 | 40.6 | -20.3 | 0 | 0 | 0 | 119.2 | |||||
| 524 | S | 36 | Very low | 41.6 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 66% | 0.664 | 83% | 0.832 | S | S | * | * | trans | 57.5 | 128.6 | 138.2 | 68.9 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 525 | K | 38.9 | Very low | 41.1 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | 72.5 | 142.3 | 135 | -77.3 | -179.1 | -179.9 | -177.7 | 0 | 117.8 | ||||
| 526 | V | 34.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | cis | -149.1 | 147 | 5.8 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 527 | G | 33 | Very low | 41.1 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | 71.7 | 157.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 528 | S | 34.3 | Very low | 40.7 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | cis | -153 | 172.3 | -4.1 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 529 | V | 39.7 | Very low | 40.8 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -111.1 | 167.7 | -166.9 | 164.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 530 | P | 49 | Very low | 40.9 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | cis | -132.7 | 178.3 | 9.2 | 17.8 | 10 | 0 | 0 | 0 | 119.1 | ||||
| 531 | R | 45.8 | Very low | 41.1 | Very low | 235 Ų | 235 | 152.7 Ų | 152.7 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -65.6 | 157.5 | 168.9 | -49.5 | 146.5 | 79.1 | 163 | 8.4 | 114.4 | ||||
| 532 | T | 39.8 | Very low | 41.2 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | -134.9 | 142 | 132.9 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 533 | G | 38.3 | Very low | 40.2 | Very low | 72 Ų | 72 | 154.3 Ų | 154.3 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | trans | -152.8 | 161.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 534 | R | 45.5 | Very low | 40 | Very low | 255 Ų | 255 | 154.6 Ų | 154.6 | 96% | 0.962 | 85% | 0.846 | S | S | * | * | trans | -135.2 | 130 | 165.5 | -69.3 | -168.9 | 177.3 | -157.8 | -0 | 109.2 | ||||
| 535 | K | 37.1 | Very low | 40.2 | Very low | 203 Ų | 203 | 156.6 Ų | 156.6 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | -80.2 | 137.8 | 172.7 | -76.2 | 178.6 | 170.9 | -179 | 0 | 109.4 | ||||
| 536 | L | 41.8 | Very low | 40.2 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 95% | 0.948 | 85% | 0.849 | S | S | * | * | trans | -88.1 | 129.1 | 161.6 | -107.3 | 147 | 0 | 0 | 0 | 109 | ||||
| 537 | V | 44.3 | Very low | 40.4 | Very low | 126 Ų | 126 | 156 Ų | 156 | 76% | 0.764 | 86% | 0.855 | S | S | * | * | trans | -106.4 | 124.3 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 538 | G | 35.6 | Very low | 40.5 | Very low | 75 Ų | 75 | 155.9 Ų | 155.9 | 77% | 0.773 | 85% | 0.854 | S | S | * | * | trans | -69.1 | 144.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 539 | R | 41.5 | Very low | 40.6 | Very low | 251 Ų | 251 | 156.2 Ų | 156.2 | 95% | 0.947 | 86% | 0.855 | S | S | * | * | trans | -122 | 146.7 | 164.9 | -106.9 | -178.4 | 167.1 | -174.7 | -4.8 | 110.3 | ||||
| 540 | K | 43 | Very low | 41.2 | Very low | 209 Ų | 209 | 156 Ų | 156 | 91% | 0.909 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 147.3 | -163.7 | -63 | 175.2 | 178.2 | 178.6 | 0 | 112.2 | ||
| 541 | T | 40.1 | Very low | 40.7 | Very low | 142 Ų | 142 | 153.9 Ų | 153.9 | 87% | 0.871 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 141.2 | 172.2 | 39.5 | 0 | 0 | 0 | 0 | 112 | ||
| 542 | A | 39.2 | Very low | 40.8 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 145.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 543 | R | 41.8 | Very low | 40.9 | Very low | 242 Ų | 242 | 150.6 Ų | 150.6 | 91% | 0.913 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 148.8 | -172.8 | -71.5 | 176.8 | 171.4 | 170.2 | -5.2 | 112.6 | ||
| 544 | S | 41.5 | Very low | 41 | Very low | 120 Ų | 120 | 158.1 Ų | 158.1 | 84% | 0.839 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 152.9 | 169.7 | 44.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 545 | V | 39.5 | Very low | 40.8 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 82% | 0.824 | 88% | 0.876 | S | S | * | * | trans | -107.8 | 121 | 177.3 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 546 | S | 39.9 | Very low | 40.9 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 88% | 0.876 | S | S | * | * | trans | -99 | 128.1 | 177.3 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 547 | F | 37 | Very low | 40.9 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 93% | 0.934 | 87% | 0.872 | S | S | * | * | trans | -72.6 | 139.4 | 170.3 | -82.2 | -99.1 | 0 | 0 | 0 | 111.1 | ||||
| 548 | G | 34.9 | Very low | 40.7 | Very low | 71 Ų | 71 | 150.3 Ų | 150.3 | 73% | 0.732 | 88% | 0.879 | S | S | * | * | trans | -123.1 | 135.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 549 | C | 37.3 | Very low | 41 | Very low | 130 Ų | 130 | 155 Ų | 155 | 88% | 0.878 | 89% | 0.885 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 142.3 | 170.6 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 550 | P | 51.6 | Low | 41 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 86% | 0.864 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 137.2 | 159 | 9.5 | 8.5 | 0 | 0 | 0 | 110.9 | ||
| 551 | G | 39.6 | Very low | 40.8 | Very low | 74 Ų | 74 | 144.3 Ų | 144.3 | 76% | 0.763 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 173.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 552 | Y | 47.3 | Very low | 40.9 | Very low | 249 Ų | 249 | 144.5 Ų | 144.5 | 98% | 0.976 | 88% | 0.88 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 154 | 178.2 | -82.3 | -102.1 | 0 | 0 | 0 | 114 | ||
| 553 | G | 43.1 | Very low | 41 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 88% | 0.883 | S | S | * | * | trans | -173.7 | 107.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 554 | V | 39.1 | Very low | 41 | Very low | 229 Ų | 229 | 139.5 Ų | 139.5 | 100% | 1.388 | 88% | 0.881 | S | S | * | * | trans | 72.9 | 0 | 178.1 | -164.1 | 0 | 0 | 0 | 0 | 115.6 |
Retrieved 554 of 554 residues in 152.8 ms
(Link to these results)