| 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 | 57.1 | Low | 63.7 | Low | 238 Ų | 238 | 142.5 Ų | 142.5 | 100% | 1.172 | 85% | 0.849 | S | S | * | * | 0 | 95.2 | 0 | -79.9 | 177.7 | 157.4 | 0 | 0 | 105.4 | |||||
| 2 | E | 64.8 | Low | 63.2 | Low | 190 Ų | 190 | 141.1 Ų | 141.1 | 89% | 0.888 | 85% | 0.849 | S | S | * | * | trans | 178.7 | 126.2 | 146.7 | -147.1 | 76.1 | 172.3 | 0 | 0 | 104.4 | ||||
| 3 | S | 66.7 | Low | 61.6 | Low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 85% | 0.852 | S | S | * | * | trans | -119.4 | 133 | -160.6 | -44.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | D | 73.3 | Confident | 61 | Low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 139.1 | 168.6 | -67.8 | -35.3 | 0 | 0 | 0 | 111 | ||
| 5 | P | 74.8 | Confident | 59.8 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 141 | 173.8 | 33 | -30.3 | 0 | 0 | 0 | 112.3 | ||
| 6 | A | 68.1 | Low | 59.1 | Low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 135 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 7 | V | 61.6 | Low | 58 | Low | 146 Ų | 146 | 141.4 Ų | 141.4 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75 | 118.1 | 168 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 8 | T | 58.1 | Low | 57.8 | Low | 121 Ų | 121 | 140.6 Ų | 140.6 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | trans | -116.6 | 115.5 | 165.7 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 9 | S | 65.1 | Low | 57.1 | Low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | trans | -84.9 | 117.3 | 171.9 | 53.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 10 | T | 55.4 | Low | 56.7 | Low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 83% | 0.831 | S | S | * | * | trans | -91.6 | 118.9 | 164 | 42.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 11 | V | 55.9 | Low | 55.8 | Low | 143 Ų | 143 | 145.6 Ų | 145.6 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | trans | -134.3 | 135 | 158.9 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 12 | C | 57.3 | Low | 55.1 | Low | 125 Ų | 125 | 145.1 Ų | 145.1 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -64 | 139.2 | -157 | -59.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 13 | E | 43.2 | Very low | 54.1 | Low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -76.2 | 122.6 | 156.3 | -74.6 | -177.4 | 143.5 | 0 | 0 | 110.2 | ||||
| 14 | G | 52.7 | Low | 53.4 | Low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -101.5 | 99.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 15 | V | 43.1 | Very low | 51.7 | Low | 112 Ų | 112 | 141.2 Ų | 141.2 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | trans | -85.1 | 118 | 168.6 | 170.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 16 | L | 48.6 | Very low | 50.1 | Low | 172 Ų | 172 | 141.4 Ų | 141.4 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -121.9 | 117.3 | 164.9 | -77.5 | 175.4 | 0 | 0 | 0 | 110.5 | ||||
| 17 | H | 41 | Very low | 48.8 | Very low | 157 Ų | 157 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -66.8 | 157.2 | 169.3 | -78.5 | -91.4 | 0 | 0 | 0 | 111.8 | ||||
| 18 | P | 54.3 | Low | 48.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -130.8 | 117 | 132.7 | 31.6 | -18 | 0 | 0 | 0 | 112.1 | ||||
| 19 | K | 44.1 | Very low | 47.5 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 126.1 | 152.8 | -73.7 | 174.9 | 177.4 | 170.8 | 0 | 106.5 | ||||
| 20 | N | 48.2 | Very low | 46.6 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -161.5 | 108.2 | 141.3 | -95.2 | -14.8 | 0 | 0 | 0 | 110.2 | ||||
| 21 | K | 37.7 | Very low | 46.2 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -79.5 | 126.7 | 165.1 | -78.1 | 175.9 | 172.3 | 179.3 | 0 | 107.8 | ||||
| 22 | W | 43.4 | Very low | 45.6 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -114.8 | 118.2 | 157.4 | -77.8 | 94 | 0 | 0 | 0 | 108.4 | ||||
| 23 | N | 42.8 | Very low | 44.8 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | -83.5 | 136.4 | 166.8 | -65.9 | -33.9 | 0 | 0 | 0 | 108.2 | ||||
| 24 | V | 52.4 | Low | 44.4 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -139.3 | 131.7 | 152.3 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 25 | P | 38.8 | Very low | 44.1 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | trans | -96.3 | 152.8 | -172.9 | 35.3 | -27.4 | 0 | 0 | 0 | 113.9 | ||||
| 26 | T | 40.3 | Very low | 43.6 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | 19.9 | 123.7 | 147.7 | 52.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 27 | D | 41.7 | Very low | 43.4 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | -169.1 | 135.7 | 113.1 | -121.6 | -36.4 | 0 | 0 | 0 | 115.8 | |||||
| 28 | S | 45.8 | Very low | 43.3 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | 64.9 | 139.4 | 144.5 | -70.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 29 | P | 46.8 | Very low | 42.6 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -108.3 | 168.5 | -178.3 | 41.1 | -32.9 | 0 | 0 | 0 | 116.2 | ||||
| 30 | N | 44.8 | Very low | 42.8 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 75.5 | 152.8 | 161.6 | -72.9 | -19.1 | 0 | 0 | 0 | 117.4 | ||||
| 31 | P | 48.1 | Very low | 42.5 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | cis | -150.1 | 173.5 | 43.2 | 39.9 | -16.9 | 0 | 0 | 0 | 119.8 | ||||
| 32 | V | 43.7 | Very low | 42.8 | Very low | 130 Ų | 130 | 142 Ų | 142 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 138 | 164.2 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 33 | R | 38.8 | Very low | 42.8 | Very low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -165.3 | 132.1 | 138.6 | -151.2 | 166.3 | 178.8 | 171.9 | -1.9 | 114.3 | ||||
| 34 | N | 34.9 | Very low | 42.7 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 154.6 | 174.4 | -65.7 | -23.6 | 0 | 0 | 0 | 114.7 | ||||
| 35 | S | 47.3 | Very low | 42.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -150.3 | 122.4 | 136.8 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 36 | N | 33.1 | Very low | 42.1 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -75.4 | 154.8 | 161.4 | -62.7 | -33.2 | 0 | 0 | 0 | 108.6 | ||||
| 37 | I | 44.5 | Very low | 42 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -172.5 | 126.7 | 145.6 | -93.1 | 145.3 | 0 | 0 | 0 | 110.5 | ||||
| 38 | F | 37.6 | Very low | 41.9 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 79% | 0.789 | 79% | 0.793 | S | S | * | * | trans | 60 | 117.8 | 149.6 | -87.4 | -117.7 | 0 | 0 | 0 | 120.6 | ||||
| 39 | S | 41.2 | Very low | 41.6 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | 71.6 | 110.7 | 68.8 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 40 | D | 47.7 | Very low | 41.3 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | -179.8 | 149.5 | 102.9 | -149.1 | 0.8 | 0 | 0 | 0 | 111.7 | |||||
| 41 | D | 41.2 | Very low | 41 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -82.8 | 157.7 | -176.6 | -71.6 | -49.3 | 0 | 0 | 0 | 113 | ||||
| 42 | G | 43.3 | Very low | 40.7 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 162 | 109.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 43 | L | 43.5 | Very low | 40.5 | Very low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 82.7 | 99 | 147.6 | -103.1 | 81.5 | 0 | 0 | 0 | 122.8 | ||||
| 44 | T | 41.3 | Very low | 41 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -8.5 | 135.3 | 130.2 | -57.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 45 | T | 40.9 | Very low | 41.4 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | 175.8 | 135.2 | 116.2 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 46 | Q | 37.5 | Very low | 41.4 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 154.6 | 173.9 | -64.9 | -176.4 | -34.9 | 0 | 0 | 113.9 | ||||
| 47 | K | 38.6 | Very low | 42 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | 164.3 | 129 | 117.9 | -99.8 | -178.4 | 173.1 | -177.1 | 0 | 115.6 | |||||
| 48 | T | 40 | Very low | 42 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | trans | 54.2 | 145.2 | 139.4 | 47.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 49 | P | 39.9 | Very low | 42.3 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -93.2 | 160.1 | 177.4 | 38.5 | -32.7 | 0 | 0 | 0 | 114.2 | ||||
| 50 | W | 39.7 | Very low | 42.4 | Very low | 243 Ų | 243 | 139.9 Ų | 139.9 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -90.7 | 132.9 | -174.2 | -65.5 | 90.1 | 0 | 0 | 0 | 113.7 | ||||
| 51 | N | 39.4 | Very low | 42.4 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -131.3 | 127.9 | 156.9 | -89.5 | -21 | 0 | 0 | 0 | 107.4 | ||||
| 52 | A | 41.4 | Very low | 42.8 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -155.8 | 106.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 53 | L | 38.9 | Very low | 42.7 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 67.6 | 97.4 | 69.5 | -144.5 | 146 | 0 | 0 | 0 | 110.9 | |||||
| 54 | D | 49.5 | Very low | 42.6 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -128.8 | 127.8 | 160.5 | -87.7 | -37.4 | 0 | 0 | 0 | 108.4 | ||||
| 55 | D | 43.7 | Very low | 42.7 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -60.6 | 169.6 | 172.1 | -60.5 | -56.8 | 0 | 0 | 0 | 111.6 | ||||
| 56 | A | 46.3 | Very low | 42.7 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | cis | -172.1 | 175.6 | -4.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 57 | E | 45.3 | Very low | 43 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 77.3 | 146.4 | 156.2 | -55.9 | -150.1 | 122 | 0 | 0 | 119 | ||||
| 58 | T | 44.8 | Very low | 43.1 | Very low | 111 Ų | 111 | 141 Ų | 141 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | cis | -175.3 | 146.3 | -14.1 | -82.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 59 | A | 43.2 | Very low | 43 | Very low | 83 Ų | 83 | 143 Ų | 143 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | trans | 59.7 | 114.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 60 | S | 44.4 | Very low | 43.4 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 85.6 | 128.7 | 72.1 | 90.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 61 | S | 47.5 | Very low | 43.6 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | 108.3 | 115.3 | 140.1 | 88.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 62 | V | 49.7 | Very low | 44.3 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | 68.6 | 128.5 | 122.1 | -175.8 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 63 | G | 41 | Very low | 44.5 | Very low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 162.7 | 102.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 64 | E | 41.6 | Very low | 45 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -101.3 | 169.6 | -175.5 | -158.3 | 166.7 | 141.8 | 0 | 0 | 112 | ||||
| 65 | S | 42.4 | Very low | 45 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 93.3 | 108.2 | 152.1 | -76.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 66 | S | 42.2 | Very low | 45.5 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | 47.4 | 125.3 | 104.5 | -112.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 67 | R | 42.6 | Very low | 45.5 | Very low | 228 Ų | 228 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 62.6 | 123.5 | 140.1 | -66.7 | 176.9 | 178.6 | 175.2 | 0.5 | 120.1 | ||||
| 68 | R | 42.3 | Very low | 45.5 | Very low | 254 Ų | 254 | 143.3 Ų | 143.3 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | -166.2 | 137.5 | 126.7 | -114.1 | 172.9 | -93.4 | -173.8 | -5.8 | 115.2 | |||||
| 69 | N | 36.4 | Very low | 45.5 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -82.1 | 174.7 | 171.4 | -102.9 | 14.9 | 0 | 0 | 0 | 112.2 | ||||
| 70 | S | 49.4 | Very low | 45.7 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 107 | 109.5 | 152.7 | 86.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 71 | K | 42.7 | Very low | 45.8 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | 73.7 | 97.4 | 70.3 | -158.6 | -180 | -171.1 | -177 | 0 | 112.2 | |||||
| 72 | Y | 54.4 | Low | 45.6 | Very low | 212 Ų | 212 | 148.1 Ų | 148.1 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -135.2 | 118.4 | 153.1 | -69.7 | -78.9 | 0 | 0 | 0 | 103.8 | ||||
| 73 | D | 46.6 | Very low | 45.8 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | 114.2 | 130.5 | 53.1 | -127.4 | -19.8 | 0 | 0 | 0 | 107.2 | |||||
| 74 | D | 49.6 | Very low | 46.8 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -69.6 | 150.5 | -169.1 | -69.8 | -60.3 | 0 | 0 | 0 | 113.2 | ||||
| 75 | N | 49.6 | Very low | 47.6 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 177 | 106 | 131.3 | -88.2 | -10.2 | 0 | 0 | 0 | 114.1 | ||||
| 76 | M | 54.6 | Low | 48.6 | Very low | 171 Ų | 171 | 156.9 Ų | 156.9 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | 64.7 | 158.5 | 130.3 | -75.9 | -75 | 154.1 | 0 | 0 | 121.3 | ||||
| 77 | P | 45 | Very low | 49.9 | Very low | 102 Ų | 102 | 159 Ų | 159 | 66% | 0.662 | 81% | 0.812 | S | S | * | * | -132.4 | 161.4 | -69.1 | 32.3 | -11.6 | 0 | 0 | 0 | 115 | |||||
| 78 | V | 44.8 | Very low | 51.3 | Low | 128 Ų | 128 | 153.6 Ų | 153.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 10.2 | 119.6 | 149.6 | -157.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 79 | H | 45.8 | Very low | 52.7 | Low | 179 Ų | 179 | 150.8 Ų | 150.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -179.6 | 109.6 | 132 | -99.8 | -78.6 | 0 | 0 | 0 | 107.3 | ||||
| 80 | S | 47.5 | Very low | 54.2 | Low | 107 Ų | 107 | 150.5 Ų | 150.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | 89 | 121 | 90.9 | -164.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 81 | A | 46.7 | Very low | 55.2 | Low | 96 Ų | 96 | 154.6 Ų | 154.6 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | 76.3 | 130 | 156.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 82 | C | 43.4 | Very low | 56.2 | Low | 123 Ų | 123 | 153.6 Ų | 153.6 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 149.9 | 179.7 | -62.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 83 | P | 52.5 | Low | 56.8 | Low | 131 Ų | 131 | 149.8 Ų | 149.8 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 127.2 | 153.7 | -2.4 | 21.9 | 0 | 0 | 0 | 110.4 | ||
| 84 | E | 63.9 | Low | 58 | Low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147.8 | 170.8 | -171.2 | 165.3 | -174.5 | 0 | 0 | 111.7 | E86 | E84-E86 PolarHBondContact O-N 3.35Š|
| 85 | F | 57.3 | Low | 58.3 | Low | 198 Ų | 198 | 153.4 Ų | 153.4 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -74.3 | 112.7 | -178.6 | -135.6 | -93.7 | 0 | 0 | 0 | 109 | ||||
| 86 | E | 62.8 | Low | 58.8 | Low | 186 Ų | 186 | 154.1 Ų | 154.1 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 120.4 | 176.3 | -149.7 | 168.3 | -150.1 | 0 | 0 | 109.1 | E84 | E84-E86 PolarHBondContact O-N 3.35Š|
| 87 | I | 70 | Confident | 59 | Low | 142 Ų | 142 | 152.7 Ų | 152.7 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 124.6 | 177.8 | -59.2 | 169 | 0 | 0 | 0 | 107.5 | E89 | I87-E89 PolarHBondContact O-N 3.37Š|
| 88 | P | 72.6 | Confident | 59.7 | Low | 116 Ų | 116 | 155.8 Ų | 155.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62 | 122.1 | 176.9 | -22.4 | 33.2 | 0 | 0 | 0 | 111.6 | ||
| 89 | E | 71.5 | Confident | 60.1 | Low | 195 Ų | 195 | 157.7 Ų | 157.7 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122.7 | 168.4 | -62.1 | -173.4 | 170 | 0 | 0 | 108.7 | I87 | I87-E89 PolarHBondContact O-N 3.37Š|
| 90 | M | 68.5 | Low | 60.2 | Low | 152 Ų | 152 | 152.9 Ų | 152.9 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -97.5 | 102.3 | 179.2 | -160 | 172.4 | -45.1 | 0 | 0 | 108.3 | F92 | M90-F92 HydrophobicContact CG-CE2 4.31Å; M90-F92 PolarHBondContact O-N 3.24Å; M90-F92 HydrophobicContact SD-CE2 4.28Å; M90-F92 HydrophobicContact SD-CZ 4.4Å | ||
| 91 | E | 69.6 | Low | 60 | Low | 181 Ų | 181 | 154.1 Ų | 154.1 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -66.5 | 115.9 | 168.4 | -113.1 | 172.9 | 166.9 | 0 | 0 | 108.6 | ||||
| 92 | F | 63.9 | Low | 60.1 | Low | 179 Ų | 179 | 159 Ų | 159 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -89.9 | 110.1 | 165.2 | -80.8 | -95.4 | 0 | 0 | 0 | 107.2 | M90 E94 | M90-F92 HydrophobicContact CG-CE2 4.31Å; M90-F92 PolarHBondContact O-N 3.24Å; M90-F92 HydrophobicContact SD-CE2 4.28Å; M90-F92 HydrophobicContact SD-CZ 4.4Å; F92-E94 PolarHBondContact O-N 3.42Å; F92-E94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | D | 66.2 | Low | 60.3 | Low | 133 Ų | 133 | 162.9 Ų | 162.9 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -63.6 | 113.9 | 171.2 | -76.1 | -29.8 | 0 | 0 | 0 | 109.7 | F95 | D93-F95 WeakPolarHBondContact O-CD1 3.36Å; D93-F95 PolarHBondContact O-N 3.16Å; D93-F95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | E | 71.3 | Confident | 60.1 | Low | 191 Ų | 191 | 165.7 Ų | 165.7 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -71.9 | 91.2 | 172.3 | -171.9 | 172 | -154 | 0 | 0 | 108.9 | F92 E96 | F92-E94 PolarHBondContact O-N 3.42Å; F92-E94 VanDerWaalsContact O-N 3.16Å; E94-E96 PolarHBondContact O-N 3.16Å | ||
| 95 | F | 56.6 | Low | 58.7 | Low | 172 Ų | 172 | 166.4 Ų | 166.4 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 97.8 | 166.6 | 46.7 | -91.3 | 0 | 0 | 0 | 109.9 | D93 L97 | D93-F95 WeakPolarHBondContact O-CD1 3.36Å; D93-F95 PolarHBondContact O-N 3.16Å; D93-F95 VanDerWaalsContact O-N 3.16Å; F95-L97 PolarHBondContact O-N 3.41Å | ||
| 96 | E | 61.1 | Low | 57.9 | Low | 169 Ų | 169 | 162.4 Ų | 162.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -61 | 118.8 | 166.8 | -164.8 | 174.3 | -156.7 | 0 | 0 | 109.5 | E94 | E94-E96 PolarHBondContact O-N 3.16Š| ||
| 97 | L | 58.8 | Low | 56.6 | Low | 140 Ų | 140 | 157.8 Ų | 157.8 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -113.9 | 84.3 | 179.6 | -130.9 | 149.7 | 0 | 0 | 0 | 108.1 | F95 L99 | F95-L97 PolarHBondContact O-N 3.41Å; L97-L99 HydrophobicContact CD2-CD1 4.27Å | ||
| 98 | E | 59.5 | Low | 55.4 | Low | 168 Ų | 168 | 158 Ų | 158 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -79.6 | 117.2 | 166 | -87.3 | -173.1 | 147.9 | 0 | 0 | 109.6 | ||||
| 99 | L | 52.9 | Low | 54.2 | Low | 167 Ų | 167 | 160.1 Ų | 160.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -134.7 | 83.7 | 159.2 | -118.4 | 108.7 | 0 | 0 | 0 | 108.4 | L97 | L97-L99 HydrophobicContact CD2-CD1 4.27Š| ||
| 100 | A | 47.8 | Very low | 52.8 | Low | 79 Ų | 79 | 158.7 Ų | 158.7 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | -112.6 | 114.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 101 | T | 42.3 | Very low | 51.9 | Low | 132 Ų | 132 | 159.2 Ų | 159.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 50.6 | 94.2 | 134 | 64.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 102 | E | 48.8 | Very low | 50.9 | Low | 198 Ų | 198 | 160.4 Ų | 160.4 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -133 | 121.4 | 141.3 | -70.7 | -165.3 | 164.6 | 0 | 0 | 110.4 | ||||
| 103 | K | 48.5 | Very low | 50.4 | Low | 205 Ų | 205 | 159.1 Ų | 159.1 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -100 | 105.9 | -175.5 | 169.3 | -174.1 | -179.3 | 172.2 | 0 | 106.4 | ||||
| 104 | E | 47.8 | Very low | 50 | Low | 190 Ų | 190 | 158.7 Ų | 158.7 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -135.7 | 108 | 162.3 | -71.3 | -155.7 | 157.5 | 0 | 0 | 111.8 | ||||
| 105 | F | 35.5 | Very low | 49.4 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | trans | 7.2 | 115 | 147.1 | -129.9 | -100.6 | 0 | 0 | 0 | 119.1 | ||||
| 106 | S | 40.1 | Very low | 49.8 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -148.8 | 115.3 | 135 | 74.8 | 0 | 0 | 0 | 0 | 110.4 | D108 | S106-D108 PolarHBondContact O-N 2.89Š| ||
| 107 | S | 35.9 | Very low | 50.3 | Low | 89 Ų | 89 | 148.6 Ų | 148.6 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -57.3 | 119.3 | 163.8 | 39 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 108 | D | 44.7 | Very low | 51 | Low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | 177.6 | 114.1 | 131.8 | -82.1 | -22.9 | 0 | 0 | 0 | 109.1 | S106 | S106-D108 PolarHBondContact O-N 2.89Š| ||
| 109 | E | 48 | Very low | 51.9 | Low | 161 Ų | 161 | 142.4 Ų | 142.4 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 50.5 | 119.6 | 139.3 | -64.1 | -150.6 | 144.9 | 0 | 0 | 121.2 | ||||
| 110 | Q | 41.3 | Very low | 53.2 | Low | 164 Ų | 164 | 139.9 Ų | 139.9 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | 101.4 | 108.6 | 140.3 | -64.5 | 160.2 | 39.5 | 0 | 0 | 118.2 | ||||
| 111 | L | 48.9 | Very low | 54.6 | Low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | 80.1 | 54.5 | 141.5 | -130.1 | 150 | 0 | 0 | 0 | 117.2 | ||||
| 112 | F | 48.6 | Very low | 56.3 | Low | 207 Ų | 207 | 137.1 Ų | 137.1 | 91% | 0.908 | 72% | 0.723 | S | S | * | * | trans | -94.7 | 113 | 148.4 | -102.5 | -95.3 | 0 | 0 | 0 | 108.6 | S114 | F112-S114 VanDerWaalsContact C-N 3.28Å; F112-S114 PolarHBondContact O-N 3.13Å | ||
| 113 | E | 54.2 | Low | 57.7 | Low | 151 Ų | 151 | 132.9 Ų | 132.9 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | -59.9 | 86.1 | 177.3 | -167.2 | 172.1 | -159.3 | 0 | 0 | 109.8 | G115 | E113-G115 PolarHBondContact O-N 2.72Š| ||
| 114 | S | 57.1 | Low | 59.1 | Low | 125 Ų | 125 | 125.3 Ų | 125.3 | 87% | 0.874 | 68% | 0.675 | S | S | * | * | trans | -71.8 | 29.5 | 178.1 | -166.4 | 0 | 0 | 0 | 0 | 112.7 | F112 | F112-S114 VanDerWaalsContact C-N 3.28Å; F112-S114 PolarHBondContact O-N 3.13Å | ||
| 115 | G | 59 | Low | 60.3 | Low | 59 Ų | 59 | 124 Ų | 124 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | trans | -116.1 | 18.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116 | E113 | E113-G115 PolarHBondContact O-N 2.72Š| ||
| 116 | R | 65.2 | Low | 62.2 | Low | 147 Ų | 147 | 119.3 Ų | 119.3 | 56% | 0.555 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -112.5 | 13.9 | -176 | -78.7 | 177.9 | 154.6 | -177.1 | -0.5 | 114.4 | F127 | R116-F127 HydrophobicContact CB-CE2 3.8Å; R116-F127 HydrophobicContact CB-CZ 3.64Å; R116-F127 HydrophobicContact CG-CE2 4.06Å; R116-F127 HydrophobicContact CG-CZ 3.65Å; R116-F127 WeakPolarHBondContact O-CE2 3.33Å |
| 117 | M | 71.7 | Confident | 63.9 | Low | 114 Ų | 114 | 116.3 Ų | 116.3 | 56% | 0.562 | 63% | 0.625 | S | S | * | * | B | Isolated β-bridge | trans | -128.7 | 130.6 | 179.9 | -159.6 | 91.7 | 73.1 | 0 | 0 | 106.6 | ||
| 118 | T | 73.6 | Confident | 65.7 | Low | 31 Ų | 31 | 118.7 Ų | 118.7 | 19% | 0.19 | 63% | 0.627 | C | S | . | * | trans | -58.2 | 154.3 | 169.6 | 60.7 | 0 | 0 | 0 | 0 | 109.1 | D120 G121 L122 D124 | T118-D120 WeakPolarHBondContact CB-OD1 2.85Å; T118-D120 PolarHBondContact O-N 3.12Å; T118-D120 PolarHBondContact OG1-OD1 3.31Å; T118-G121 PolarHBondContact O-N 3.11Å; T118-L122 PolarHBondContact N-O 3.18Å; T118-L122 WeakPolarHBondContact OG1-CA 3.34Å; T118-L122 WeakPolarHBondContact OG1-CB 2.92Å; T118-L122 PolarHBondContact OG1-N 3.06Å; T118-L122 VanDerWaalsContact OG1-N 3.08Å; T118-L122 PolarHBondContact OG1-O 3.4Å; T118-D124 WeakPolarHBondContact CG2-OD1 3.49Å; T118-D124 PolarHBondContact N-OD1 3.11Å | ||
| 119 | P | 77.6 | Confident | 67 | Low | 147 Ų | 147 | 119.3 Ų | 119.3 | 96% | 0.955 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -19.6 | -179.1 | -26.2 | 34.7 | 0 | 0 | 0 | 115.1 | ||
| 120 | D | 80.6 | Confident | 68.1 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 61% | 0.61 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 5.4 | 175.3 | 55.8 | -37.6 | 0 | 0 | 0 | 114.2 | T118 L122 | T118-D120 WeakPolarHBondContact CB-OD1 2.85Å; T118-D120 PolarHBondContact O-N 3.12Å; T118-D120 PolarHBondContact OG1-OD1 3.31Å; D120-L122 WeakPolarHBondContact OD2-CD1 3.49Å |
| 121 | G | 76.9 | Confident | 69.4 | Low | 50 Ų | 50 | 114.9 Ų | 114.9 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 81 | 15.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T118 | T118-G121 PolarHBondContact O-N 3.11Š|
| 122 | L | 78.5 | Confident | 70 | Confident | 103 Ų | 103 | 109.6 Ų | 109.6 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -91.3 | 149.5 | 174.4 | -54.7 | 179.4 | 0 | 0 | 0 | 109.6 | T118 D120 | T118-L122 PolarHBondContact N-O 3.18Å; T118-L122 WeakPolarHBondContact OG1-CA 3.34Å; T118-L122 WeakPolarHBondContact OG1-CB 2.92Å; T118-L122 PolarHBondContact OG1-N 3.06Å; T118-L122 VanDerWaalsContact OG1-N 3.08Å; T118-L122 PolarHBondContact OG1-O 3.4Å; D120-L122 WeakPolarHBondContact OD2-CD1 3.49Å |
| 123 | I | 79 | Confident | 70.4 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 55% | 0.554 | 58% | 0.576 | S | S | * | * | B | Isolated β-bridge | trans | -63.5 | 134.6 | 164.6 | 46.4 | 166.4 | 0 | 0 | 0 | 108.3 | E125 | I123-E125 PolarHBondContact O-N 2.87Å |
| 124 | D | 76.2 | Confident | 70.6 | Confident | 46 Ų | 46 | 101.6 Ų | 101.6 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 138.2 | 178.5 | -58.9 | -54.5 | 0 | 0 | 0 | 109.8 | T118 D126 F127 | T118-D124 WeakPolarHBondContact CG2-OD1 3.49Å; T118-D124 PolarHBondContact N-OD1 3.11Å; D124-D126 PolarHBondContact O-N 3.36Å; D124-F127 HydrophobicContact CB-CD2 3.92Å; D124-F127 HydrophobicContact CB-CE2 4.42Å; D124-F127 VanDerWaalsContact O-CB 3.25Å; D124-F127 WeakPolarHBondContact O-CB 3.4Å; D124-F127 PolarHBondContact O-N 3.36Å |
| 125 | E | 74.6 | Confident | 70.7 | Confident | 164 Ų | 164 | 99.2 Ų | 99.2 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.1 | -23.9 | 177.3 | -64.6 | -178.5 | 173.4 | 0 | 0 | 112.7 | I123 F127 E128 | I123-E125 PolarHBondContact O-N 2.87Å; E125-F127 PolarHBondContact O-N 3.42Å; E125-E128 PolarHBondContact O-N 2.85Å |
| 126 | D | 75.7 | Confident | 70.9 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.2 | -23.9 | 174.2 | -71.3 | -26.8 | 0 | 0 | 0 | 112.7 | D124 R129 E130 | D124-D126 PolarHBondContact O-N 3.36Å; D126-R129 PolarHBondContact O-N 3.47Å; D126-R129 IonicContact OD1-CZ 3.91Å; D126-R129 IonicContact OD1-NH1 2.73Å; D126-R129 PolarHBondContact OD1-NH1 2.84Å; D126-E130 WeakPolarHBondContact O-CB 3.34Å; D126-E130 PolarHBondContact O-N 3.5Å |
| 127 | F | 74.1 | Confident | 71.2 | Confident | 49 Ų | 49 | 105.3 Ų | 105.3 | 22% | 0.215 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -62.6 | -42.4 | 172.4 | -90.3 | -85.3 | 0 | 0 | 0 | 112.3 | R116 D124 E125 R129 E130 L131 | R116-F127 HydrophobicContact CB-CE2 3.8Å; R116-F127 HydrophobicContact CB-CZ 3.64Å; R116-F127 HydrophobicContact CG-CE2 4.06Å; R116-F127 HydrophobicContact CG-CZ 3.65Å; R116-F127 WeakPolarHBondContact O-CE2 3.33Å; D124-F127 HydrophobicContact CB-CD2 3.92Å; D124-F127 HydrophobicContact CB-CE2 4.42Å; D124-F127 VanDerWaalsContact O-CB 3.25Å; D124-F127 WeakPolarHBondContact O-CB 3.4Å; D124-F127 PolarHBondContact O-N 3.36Å; E125-F127 PolarHBondContact O-N 3.42Å; F127-R129 VanDerWaalsContact C-N 3.26Å; F127-R129 PolarHBondContact O-N 2.79Å; F127-E130 PolarHBondContact O-N 3.37Å; F127-L131 WeakPolarHBondContact O-CB 3.3Å; F127-L131 WeakPolarHBondContact O-CG 3.3Å; F127-L131 PolarHBondContact O-N 2.9Å |
| 128 | E | 74.3 | Confident | 71.3 | Confident | 140 Ų | 140 | 106.1 Ų | 106.1 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.5 | -37.2 | 179.8 | -65.8 | -170.3 | 170.6 | 0 | 0 | 110.8 | E125 G132 | E125-E128 PolarHBondContact O-N 2.85Å; E128-G132 WeakPolarHBondContact O-CA 3.35Å; E128-G132 PolarHBondContact O-N 2.81Å |
| 129 | R | 72.2 | Confident | 72 | Confident | 160 Ų | 160 | 107.2 Ų | 107.2 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.8 | -41.2 | 174.8 | -167.9 | -179.2 | -64.5 | 114 | 4.7 | 111.4 | D126 F127 G132 C133 | D126-R129 PolarHBondContact O-N 3.47Å; D126-R129 IonicContact OD1-CZ 3.91Å; D126-R129 IonicContact OD1-NH1 2.73Å; D126-R129 PolarHBondContact OD1-NH1 2.84Å; F127-R129 VanDerWaalsContact C-N 3.26Å; F127-R129 PolarHBondContact O-N 2.79Å; R129-G132 PolarHBondContact O-N 3.2Å; R129-C133 PolarHBondContact O-N 2.86Å; R129-C133 PolarHBondContact O-SG 3.2Å; R129-C133 VanDerWaalsContact O-SG 3.37Å |
| 130 | E | 70.1 | Confident | 72.6 | Confident | 118 Ų | 118 | 104.5 Ų | 104.5 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.4 | -44.7 | 178.8 | -168.6 | 170.7 | -169.8 | 0 | 0 | 111.8 | D126 F127 G132 C133 A134 | D126-E130 WeakPolarHBondContact O-CB 3.34Å; D126-E130 PolarHBondContact O-N 3.5Å; F127-E130 PolarHBondContact O-N 3.37Å; E130-G132 VanDerWaalsContact C-N 3.32Å; E130-G132 PolarHBondContact O-N 3.25Å; E130-C133 PolarHBondContact O-N 3.29Å; E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.4Å |
| 131 | L | 69.9 | Low | 73.1 | Confident | 113 Ų | 113 | 100.7 Ų | 100.7 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.6 | -39.4 | 171.9 | -71.2 | 176.7 | 0 | 0 | 0 | 111.3 | F127 C133 A134 A135 | F127-L131 WeakPolarHBondContact O-CB 3.3Å; F127-L131 WeakPolarHBondContact O-CG 3.3Å; F127-L131 PolarHBondContact O-N 2.9Å; L131-C133 VanDerWaalsContact C-N 3.31Å; L131-C133 PolarHBondContact O-N 3.17Å; L131-A134 PolarHBondContact O-N 3.42Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 3.42Å |
| 132 | G | 61.5 | Low | 73.8 | Confident | 53 Ų | 53 | 101.2 Ų | 101.2 | 55% | 0.546 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -31.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | E128 R129 E130 | E128-G132 WeakPolarHBondContact O-CA 3.35Å; E128-G132 PolarHBondContact O-N 2.81Å; R129-G132 PolarHBondContact O-N 3.2Å; E130-G132 VanDerWaalsContact C-N 3.32Å; E130-G132 PolarHBondContact O-N 3.25Å |
| 133 | C | 57.5 | Low | 74.5 | Confident | 104 Ų | 104 | 99.7 Ų | 99.7 | 70% | 0.703 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -80.6 | -37.7 | 174 | -73.2 | 0 | 0 | 0 | 0 | 112.7 | R129 E130 L131 | R129-C133 PolarHBondContact O-N 2.86Å; R129-C133 PolarHBondContact O-SG 3.2Å; R129-C133 VanDerWaalsContact O-SG 3.37Å; E130-C133 PolarHBondContact O-N 3.29Å; L131-C133 VanDerWaalsContact C-N 3.31Å; L131-C133 PolarHBondContact O-N 3.17Å |
| 134 | A | 57.8 | Low | 75.2 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 70% | 0.702 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -80.6 | -29.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E130 L131 | E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.4Å; L131-A134 PolarHBondContact O-N 3.42Å |
| 135 | A | 60 | Low | 76 | Confident | 75 Ų | 75 | 95.4 Ų | 95.4 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | trans | -95.7 | 12 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L131 E137 | L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 3.42Å; A135-E137 PolarHBondContact O-N 2.91Å | ||
| 136 | K | 62.7 | Low | 76.8 | Confident | 152 Ų | 152 | 91.9 Ų | 91.9 | 66% | 0.661 | 51% | 0.512 | S | S | * | . | trans | -70.2 | 99.3 | 173.3 | -170.1 | 174.8 | -178.7 | -179.5 | 0 | 108.9 | L138 | K136-L138 PolarHBondContact O-N 3.47Š| ||
| 137 | E | 70.5 | Confident | 77.7 | Confident | 183 Ų | 183 | 92.2 Ų | 92.2 | 86% | 0.855 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 116.3 | 170.2 | -66.8 | -173.2 | 163.8 | 0 | 0 | 108.7 | A135 S139 | A135-E137 PolarHBondContact O-N 2.91Å; E137-S139 PolarHBondContact O-N 3.18Å |
| 138 | L | 74.5 | Confident | 78.6 | Confident | 130 Ų | 130 | 90.9 Ų | 90.9 | 68% | 0.681 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 123.9 | 176.7 | -95 | 87.1 | 0 | 0 | 0 | 108.4 | K136 D142 V143 | K136-L138 PolarHBondContact O-N 3.47Å; L138-D142 HydrophobicContact CD2-CB 4.3Å; L138-D142 HydrophobicContact CG-CB 4.3Å; L138-V143 HydrophobicContact CB-CG2 4.42Å; L138-V143 HydrophobicContact CD2-CG2 4.12Å |
| 139 | S | 87.4 | Confident | 79.5 | Confident | 54 Ų | 54 | 87 Ų | 87 | 38% | 0.378 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 156.8 | 170.5 | 73.8 | 0 | 0 | 0 | 0 | 110 | E137 Q141 D142 V143 | E137-S139 PolarHBondContact O-N 3.18Å; S139-Q141 PolarHBondContact O-N 3.02Å; S139-Q141 VanDerWaalsContact O-N 3.16Å; S139-D142 VanDerWaalsContact CB-OD2 3.3Å; S139-D142 WeakPolarHBondContact CB-OD2 3.3Å; S139-D142 PolarHBondContact N-OD2 3.13Å; S139-D142 WeakPolarHBondContact O-CB 3.41Å; S139-D142 PolarHBondContact O-N 3.43Å; S139-D142 PolarHBondContact OG-N 2.93Å; S139-D142 PolarHBondContact OG-OD2 3.05Å; S139-V143 PolarHBondContact O-N 3.12Å |
| 140 | V | 90.3 | Very high | 80.4 | Confident | 91 Ų | 91 | 83 Ų | 83 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -54.6 | -34.8 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 111 | V143 I144 Q198 | V140-V143 PolarHBondContact O-N 3.3Å; V140-I144 HydrophobicContact CG1-CD1 4.05Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 2.99Å; V140-Q198 HydrophobicContact CG1-CB 4Å |
| 141 | Q | 92.2 | Very high | 81.4 | Confident | 33 Ų | 33 | 77.4 Ų | 77.4 | 15% | 0.154 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 175.9 | -170.8 | 62.8 | 47.1 | 0 | 0 | 112.2 | S139 V143 I144 D145 | S139-Q141 PolarHBondContact O-N 3.02Å; S139-Q141 VanDerWaalsContact O-N 3.16Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 2.85Å; Q141-I144 PolarHBondContact O-N 2.77Å; Q141-D145 PolarHBondContact NE2-OD1 2.84Å; Q141-D145 WeakPolarHBondContact O-CB 3.27Å; Q141-D145 PolarHBondContact O-N 3.02Å |
| 142 | D | 91.4 | Very high | 82.5 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 179.1 | -61.8 | -52.1 | 0 | 0 | 0 | 111.5 | L138 S139 D145 S146 | L138-D142 HydrophobicContact CD2-CB 4.3Å; L138-D142 HydrophobicContact CG-CB 4.3Å; S139-D142 VanDerWaalsContact CB-OD2 3.3Å; S139-D142 WeakPolarHBondContact CB-OD2 3.3Å; S139-D142 PolarHBondContact N-OD2 3.13Å; S139-D142 WeakPolarHBondContact O-CB 3.41Å; S139-D142 PolarHBondContact O-N 3.43Å; S139-D142 PolarHBondContact OG-N 2.93Å; S139-D142 PolarHBondContact OG-OD2 3.05Å; D142-D145 PolarHBondContact O-N 3.12Å; D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.44Å |
| 143 | V | 92.9 | Very high | 83.9 | Confident | 71 Ų | 71 | 80.8 Ų | 80.8 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | L138 S139 V140 Q141 D145 S146 D147 | L138-V143 HydrophobicContact CB-CG2 4.42Å; L138-V143 HydrophobicContact CD2-CG2 4.12Å; S139-V143 PolarHBondContact O-N 3.12Å; V140-V143 PolarHBondContact O-N 3.3Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 2.85Å; V143-D145 VanDerWaalsContact C-N 3.33Å; V143-D145 PolarHBondContact O-N 2.92Å; V143-S146 WeakPolarHBondContact O-CB 3.41Å; V143-S146 PolarHBondContact O-N 2.98Å; V143-D147 PolarHBondContact O-N 3.24Å |
| 144 | I | 93.3 | Very high | 85.5 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 8% | 0.077 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.2 | -63.7 | 163.9 | 0 | 0 | 0 | 110.5 | V140 Q141 S146 D147 Y148 Y191 K194 | V140-I144 HydrophobicContact CG1-CD1 4.05Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 2.99Å; Q141-I144 PolarHBondContact O-N 2.77Å; I144-S146 PolarHBondContact O-N 3.05Å; I144-D147 PolarHBondContact O-N 2.92Å; I144-D147 VanDerWaalsContact O-N 3.14Å; I144-Y148 HydrophobicContact CG2-CD2 4.16Å; I144-Y148 WeakPolarHBondContact O-CD2 3.39Å; I144-Y148 PolarHBondContact O-N 3.24Å; I144-Y191 HydrophobicContact CG2-CD2 3.88Å; I144-Y191 HydrophobicContact CG2-CE2 3.89Å; I144-K194 HydrophobicContact CD1-CB 4.33Å; I144-K194 WeakPolarHBondContact CD1-O 3.19Å; I144-K194 HydrophobicContact CG1-CB 4.42Å; I144-K194 HydrophobicContact CG2-CB 4.15Å |
| 145 | D | 93.2 | Very high | 87.2 | Confident | 48 Ų | 48 | 75 Ų | 75 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -30 | -178.6 | -72.8 | -7.8 | 0 | 0 | 0 | 112.3 | Q141 D142 V143 Y148 S152 Y191 | Q141-D145 PolarHBondContact NE2-OD1 2.84Å; Q141-D145 WeakPolarHBondContact O-CB 3.27Å; Q141-D145 PolarHBondContact O-N 3.02Å; D142-D145 PolarHBondContact O-N 3.12Å; V143-D145 VanDerWaalsContact C-N 3.33Å; V143-D145 PolarHBondContact O-N 2.92Å; D145-Y148 CarbonylContact O-C 3.56Å; D145-S152 PolarHBondContact O-OG 3.17Å; D145-S152 VanDerWaalsContact O-OG 3.13Å; D145-Y191 PolarHBondContact OD1-OH 3.35Å; D145-Y191 VanDerWaalsContact OD1-OH 3.11Å |
| 146 | S | 92.2 | Very high | 88.7 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.5 | -36.8 | 173 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | D142 V143 I144 Y148 | D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.44Å; V143-S146 WeakPolarHBondContact O-CB 3.41Å; V143-S146 PolarHBondContact O-N 2.98Å; I144-S146 PolarHBondContact O-N 3.05Å; S146-Y148 VanDerWaalsContact C-N 3.33Å |
| 147 | D | 93.7 | Very high | 90.2 | Very high | 110 Ų | 110 | 64.6 Ų | 64.6 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -73.9 | -24.7 | 178.6 | -74.1 | -15.7 | 0 | 0 | 0 | 112.7 | V143 I144 P149 | V143-D147 PolarHBondContact O-N 3.24Å; I144-D147 PolarHBondContact O-N 2.92Å; I144-D147 VanDerWaalsContact O-N 3.14Å; D147-P149 VanDerWaalsContact C-CD 3.47Å |
| 148 | Y | 93.4 | Very high | 91.4 | Very high | 22 Ų | 22 | 59.7 Ų | 59.7 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | trans | -128.5 | 60.6 | -176.1 | -60.4 | -94.7 | 0 | 0 | 0 | 112 | I144 D145 S146 D150 I151 S152 H187 M190 Y191 | I144-Y148 HydrophobicContact CG2-CD2 4.16Å; I144-Y148 WeakPolarHBondContact O-CD2 3.39Å; I144-Y148 PolarHBondContact O-N 3.24Å; D145-Y148 CarbonylContact O-C 3.56Å; S146-Y148 VanDerWaalsContact C-N 3.33Å; Y148-D150 VanDerWaalsContact C-N 3.26Å; Y148-D150 PolarHBondContact O-N 3.14Å; Y148-I151 HydrophobicContact CD1-CD1 4Å; Y148-I151 PolarHBondContact O-N 3.31Å; Y148-S152 VanDerWaalsContact O-CB 3.3Å; Y148-S152 WeakPolarHBondContact O-CB 3.42Å; Y148-S152 PolarHBondContact O-N 3.46Å; Y148-S152 PolarHBondContact O-OG 3.17Å; Y148-S152 VanDerWaalsContact O-OG 3.06Å; Y148-H187 AromaticContact CD1-CD2 3.81Å; Y148-H187 AromaticContact CD1-CE1 3.29Å; Y148-H187 WeakPolarHBondContact CD1-CE1 3.05Å; Y148-H187 AromaticContact CD1-ND1 3.81Å; Y148-H187 AromaticContact CD1-NE2 3.28Å; Y148-H187 VanDerWaalsContact CD1-NE2 3.28Å; Y148-H187 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H187 AromaticContact CE1-CE1 3.36Å; Y148-H187 WeakPolarHBondContact CE1-CE1 3.41Å; Y148-H187 AromaticContact CE1-ND1 3.61Å; Y148-H187 AromaticContact CE1-NE2 3.85Å; Y148-M190 HydrophobicContact CE1-CB 4.08Å; Y148-Y191 VanDerWaalsContact CB-CD2 3.49Å; Y148-Y191 HydrophobicContact CD1-CD2 4.45Å; Y148-Y191 AromaticContact CD2-CD2 3.95Å; Y148-Y191 HydrophobicContact CD2-CD2 3.95Å; Y148-Y191 AromaticContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CG 4.33Å | ||
| 149 | P | 92.1 | Very high | 92.3 | Very high | 58 Ų | 58 | 56 Ų | 56 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.2 | -23.7 | -171.1 | 28.7 | -36.3 | 0 | 0 | 0 | 113.7 | D147 S152 R153 | D147-P149 VanDerWaalsContact C-CD 3.47Å; P149-S152 WeakPolarHBondContact CA-OG 3.08Å; P149-R153 WeakPolarHBondContact O-CD 3.48Å; P149-R153 WeakPolarHBondContact O-CG 3.45Å; P149-R153 PolarHBondContact O-NE 3.18Å |
| 150 | D | 91.4 | Very high | 92.6 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.9 | -38.5 | 177.1 | 63.8 | -31.2 | 0 | 0 | 0 | 112 | Y148 H187 | Y148-D150 VanDerWaalsContact C-N 3.26Å; Y148-D150 PolarHBondContact O-N 3.14Å; D150-H187 IonicContact OD1-CD2 3.58Å; D150-H187 IonicContact OD1-NE2 2.78Å; D150-H187 IonicContact OD2-CD2 3.65Å; D150-H187 PolarHBondContact OD2-CD2 3.36Å |
| 151 | I | 92 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -87.8 | -41.7 | -179.3 | -61.5 | 153.1 | 0 | 0 | 0 | 111.6 | Y148 R153 L154 I183 H187 L188 Y191 | Y148-I151 HydrophobicContact CD1-CD1 4Å; Y148-I151 PolarHBondContact O-N 3.31Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.45Å; I151-L154 VanDerWaalsContact O-CB 3.29Å; I151-L154 WeakPolarHBondContact O-CB 3.35Å; I151-L154 PolarHBondContact O-N 3.18Å; I151-I183 HydrophobicContact CG1-CD1 3.6Å; I151-H187 VanDerWaalsContact CD1-C 3.48Å; I151-H187 HydrophobicContact CD1-CB 4.11Å; I151-H187 WeakPolarHBondContact CD1-CD2 3.08Å; I151-H187 WeakPolarHBondContact CD1-O 3.12Å; I151-L188 HydrophobicContact CG2-CD1 3.72Å; I151-Y191 HydrophobicContact CB-CD1 4.29Å; I151-Y191 HydrophobicContact CB-CG 4.17Å; I151-Y191 HydrophobicContact CD1-CG 4.46Å; I151-Y191 HydrophobicContact CG2-CD1 3.31Å; I151-Y191 HydrophobicContact CG2-CD2 4.36Å; I151-Y191 HydrophobicContact CG2-CE1 3.75Å; I151-Y191 HydrophobicContact CG2-CG 3.64Å |
| 152 | S | 92.1 | Very high | 92.9 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | -176.4 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | D145 Y148 P149 L154 G155 | D145-S152 PolarHBondContact O-OG 3.17Å; D145-S152 VanDerWaalsContact O-OG 3.13Å; Y148-S152 VanDerWaalsContact O-CB 3.3Å; Y148-S152 WeakPolarHBondContact O-CB 3.42Å; Y148-S152 PolarHBondContact O-N 3.46Å; Y148-S152 PolarHBondContact O-OG 3.17Å; Y148-S152 VanDerWaalsContact O-OG 3.06Å; P149-S152 WeakPolarHBondContact CA-OG 3.08Å; S152-L154 PolarHBondContact O-N 2.97Å; S152-L154 VanDerWaalsContact O-N 3.16Å; S152-G155 PolarHBondContact O-N 3.38Å |
| 153 | R | 92.2 | Very high | 93.1 | Very high | 212 Ų | 212 | 55.3 Ų | 55.3 | 80% | 0.8 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.4 | 175.7 | -72.5 | 175.9 | -172.3 | 173.5 | 2.1 | 114.3 | P149 I151 G155 | P149-R153 WeakPolarHBondContact O-CD 3.48Å; P149-R153 WeakPolarHBondContact O-CG 3.45Å; P149-R153 PolarHBondContact O-NE 3.18Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.45Å; R153-G155 VanDerWaalsContact C-N 3.25Å; R153-G155 PolarHBondContact O-N 3.26Å |
| 154 | L | 91.2 | Very high | 93.2 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -25.7 | 176.9 | -58 | 171.5 | 0 | 0 | 0 | 111.1 | I151 S152 V156 R176 P178 I183 | I151-L154 VanDerWaalsContact O-CB 3.29Å; I151-L154 WeakPolarHBondContact O-CB 3.35Å; I151-L154 PolarHBondContact O-N 3.18Å; S152-L154 PolarHBondContact O-N 2.97Å; S152-L154 VanDerWaalsContact O-N 3.16Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 HydrophobicContact CB-CG2 3.83Å; L154-V156 HydrophobicContact CD1-CG2 4.42Å; L154-R176 WeakPolarHBondContact O-CB 3.46Å; L154-R176 VanDerWaalsContact O-CD 3.3Å; L154-R176 WeakPolarHBondContact O-CD 3.17Å; L154-P178 HydrophobicContact CD1-CB 4.27Å; L154-P178 HydrophobicContact CD1-CG 3.76Å; L154-I183 HydrophobicContact CD1-CD1 3.95Å |
| 155 | G | 92.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 37.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S152 R153 L157 Q158 R176 | S152-G155 PolarHBondContact O-N 3.38Å; R153-G155 VanDerWaalsContact C-N 3.25Å; R153-G155 PolarHBondContact O-N 3.26Å; G155-L157 VanDerWaalsContact C-N 3.31Å; G155-L157 PolarHBondContact O-N 2.89Å; G155-Q158 PolarHBondContact O-NE2 3.26Å; G155-R176 WeakPolarHBondContact O-CD 3.46Å; G155-R176 PolarHBondContact O-NH1 2.63Å |
| 156 | V | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -61.4 | -41.4 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | L154 F172 S173 R176 L177 | L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 HydrophobicContact CB-CG2 3.83Å; L154-V156 HydrophobicContact CD1-CG2 4.42Å; V156-F172 HydrophobicContact CG1-CD2 4.38Å; V156-F172 HydrophobicContact CG1-CE1 4.14Å; V156-F172 HydrophobicContact CG1-CE2 3.82Å; V156-F172 HydrophobicContact CG1-CZ 3.69Å; V156-F172 WeakPolarHBondContact O-CA 3.45Å; V156-S173 PolarHBondContact O-N 3.16Å; V156-R176 HydrophobicContact CG2-CB 4.46Å; V156-L177 HydrophobicContact CG1-CD2 3.57Å; V156-L177 HydrophobicContact CG1-CG 4.1Å; V156-L177 HydrophobicContact CG2-CD2 4.18Å |
| 157 | L | 94.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136 | 173.7 | -85.3 | 73.9 | 0 | 0 | 0 | 109.9 | G155 I170 V171 F172 Y191 I192 T195 L196 | G155-L157 VanDerWaalsContact C-N 3.31Å; G155-L157 PolarHBondContact O-N 2.89Å; L157-I170 HydrophobicContact CD2-CG2 4.45Å; L157-V171 WeakPolarHBondContact CA-O 3.3Å; L157-F172 HydrophobicContact CD1-CD2 3.37Å; L157-F172 HydrophobicContact CD1-CE2 3.57Å; L157-F172 HydrophobicContact CD1-CG 4.4Å; L157-F172 HydrophobicContact CG-CD2 4.07Å; L157-Y191 HydrophobicContact CB-CE1 4.44Å; L157-I192 HydrophobicContact CD1-CB 4.49Å; L157-I192 HydrophobicContact CD1-CG1 3.73Å; L157-I192 HydrophobicContact CD1-CG2 4.37Å; L157-I192 HydrophobicContact CD2-CG2 4.1Å; L157-T195 HydrophobicContact CB-CG2 4.07Å; L157-T195 HydrophobicContact CD2-CG2 3.54Å; L157-T195 HydrophobicContact CG-CG2 4.45Å; L157-L196 HydrophobicContact CD2-CD2 4.28Å; L157-L196 HydrophobicContact CD2-CG 4.27Å |
| 158 | Q | 93.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 63.7 Ų | 63.7 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 141.1 | 175.9 | -75.4 | 161.7 | 69.5 | 0 | 0 | 109.9 | G155 V171 R176 | G155-Q158 PolarHBondContact O-NE2 3.26Å; Q158-V171 PolarHBondContact N-O 3.3Å; Q158-V171 PolarHBondContact O-N 3.49Å; Q158-R176 VanDerWaalsContact NE2-CZ 3.27Å |
| 159 | G | 93.5 | Very high | 93.9 | Very high | 54 Ų | 54 | 64 Ų | 64 | 56% | 0.557 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 128.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 160 | A | 93.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 14.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I169 V171 | A160-I169 HydrophobicContact CB-CB 4.22Å; A160-I169 HydrophobicContact CB-CG2 3.95Å; A160-I169 PolarHBondContact N-O 3.22Å; A160-V171 HydrophobicContact CB-CG2 3.64Å |
| 161 | G | 94.1 | Very high | 94.3 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.4 | -144.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I169 | G161-I169 PolarHBondContact O-N 3.43Å |
| 162 | D | 96.1 | Very high | 94.5 | Very high | 81 Ų | 81 | 60 Ų | 60 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.6 | -173.8 | -63.4 | -50.3 | 0 | 0 | 0 | 112 | R167 K168 | D162-R167 CarbonylContact C-O 3.58Å; D162-R167 WeakPolarHBondContact CA-O 3.36Å; D162-K168 WeakPolarHBondContact OD1-CA 3.29Å; D162-K168 WeakPolarHBondContact OD1-CD 3.28Å; D162-K168 WeakPolarHBondContact OD1-CE 3.46Å; D162-K168 IonicContact OD1-NZ 2.79Å; D162-K168 PolarHBondContact OD1-NZ 2.95Å; D162-K168 IonicContact OD2-NZ 3.9Å; D162-K168 PolarHBondContact OD2-NZ 3.13Å |
| 163 | D | 95.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | trans | -73.8 | 170.4 | 170.4 | -174.5 | 23.3 | 0 | 0 | 0 | 110.8 | L165 G166 R167 I169 | D163-L165 PolarHBondContact O-N 2.89Å; D163-G166 PolarHBondContact O-N 3.09Å; D163-R167 PolarHBondContact N-O 2.92Å; D163-R167 IonicContact OD2-CZ 3.45Å; D163-R167 IonicContact OD2-NE 2.81Å; D163-R167 IonicContact OD2-NH2 3.56Å; D163-R167 PolarHBondContact OD2-NH2 3.41Å; D163-I169 HydrophobicContact CB-CD1 3.93Å; D163-I169 HydrophobicContact CB-CG1 4.04Å | ||
| 164 | K | 95.1 | Very high | 94.5 | Very high | 207 Ų | 207 | 49.2 Ų | 49.2 | 90% | 0.9 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.1 | 179 | -61 | -177.1 | -179.5 | -176 | 0 | 114.7 | ||
| 165 | L | 95.3 | Very high | 94.3 | Very high | 130 Ų | 130 | 49.8 Ų | 49.8 | 68% | 0.681 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 9.6 | 177.6 | -60.4 | 177.6 | 0 | 0 | 0 | 113.3 | D163 R167 | D163-L165 PolarHBondContact O-N 2.89Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 HydrophobicContact CB-CG 4.26Å; L165-R167 PolarHBondContact O-N 3.34Å |
| 166 | G | 94.7 | Very high | 94.2 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 74.9 | 18.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D163 | D163-G166 PolarHBondContact O-N 3.09Š|
| 167 | R | 96.1 | Very high | 93.9 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 134.5 | -179 | -59.4 | 177.9 | -62.8 | -174.6 | 2.5 | 110.2 | D162 D163 L165 I169 D203 V205 | D162-R167 CarbonylContact C-O 3.58Å; D162-R167 WeakPolarHBondContact CA-O 3.36Å; D163-R167 PolarHBondContact N-O 2.92Å; D163-R167 IonicContact OD2-CZ 3.45Å; D163-R167 IonicContact OD2-NE 2.81Å; D163-R167 IonicContact OD2-NH2 3.56Å; D163-R167 PolarHBondContact OD2-NH2 3.41Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 HydrophobicContact CB-CG 4.26Å; L165-R167 PolarHBondContact O-N 3.34Å; R167-I169 PolarHBondContact O-N 3.47Å; R167-D203 WeakPolarHBondContact CA-O 3.46Å; R167-D203 WeakPolarHBondContact CB-O 3.3Å; R167-D203 HydrophobicContact CG-CB 4.08Å; R167-V205 HydrophobicContact CB-CG2 4.38Å |
| 168 | K | 96.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 56.5 Ų | 56.5 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.8 | 179.3 | -66.9 | -72.8 | 159.8 | -152.2 | 0 | 110.9 | D162 Y199 I202 D203 Y204 V205 | D162-K168 WeakPolarHBondContact OD1-CA 3.29Å; D162-K168 WeakPolarHBondContact OD1-CD 3.28Å; D162-K168 WeakPolarHBondContact OD1-CE 3.46Å; D162-K168 IonicContact OD1-NZ 2.79Å; D162-K168 PolarHBondContact OD1-NZ 2.95Å; D162-K168 IonicContact OD2-NZ 3.9Å; D162-K168 PolarHBondContact OD2-NZ 3.13Å; K168-Y199 HydrophobicContact CB-CD1 4.03Å; K168-Y199 HydrophobicContact CB-CE1 4.25Å; K168-Y199 HydrophobicContact CD-CE1 4.49Å; K168-Y199 HydrophobicContact CG-CD1 4.14Å; K168-Y199 HydrophobicContact CG-CE1 4.26Å; K168-I202 HydrophobicContact CB-CD1 4.3Å; K168-I202 HydrophobicContact CG-CD1 3.52Å; K168-D203 PolarHBondContact N-O 3.26Å; K168-Y204 CarbonylContact O-C 3.57Å; K168-Y204 WeakPolarHBondContact O-CA 3.33Å; K168-Y204 WeakPolarHBondContact O-CB 3.44Å; K168-V205 PolarHBondContact O-N 3.41Å |
| 169 | I | 97 | Very high | 92.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.8 | 176.2 | -57 | 176.5 | 0 | 0 | 0 | 108.8 | A160 G161 D163 R167 V171 I207 | A160-I169 HydrophobicContact CB-CB 4.22Å; A160-I169 HydrophobicContact CB-CG2 3.95Å; A160-I169 PolarHBondContact N-O 3.22Å; G161-I169 PolarHBondContact O-N 3.43Å; D163-I169 HydrophobicContact CB-CD1 3.93Å; D163-I169 HydrophobicContact CB-CG1 4.04Å; R167-I169 PolarHBondContact O-N 3.47Å; I169-V171 HydrophobicContact CG2-CG2 4.45Å; I169-I207 HydrophobicContact CG2-CD1 3.48Å; I169-I207 VanDerWaalsContact CG2-CD1 3.48Å; I169-I207 HydrophobicContact CG2-CG1 3.95Å |
| 170 | I | 96 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129 | 176 | -51 | 166.6 | 0 | 0 | 0 | 107.6 | L157 L196 Y199 Y204 V205 L206 I207 | L157-I170 HydrophobicContact CD2-CG2 4.45Å; I170-L196 HydrophobicContact CD1-CD2 3.64Å; I170-L196 HydrophobicContact CG2-CD2 4.2Å; I170-Y199 HydrophobicContact CD1-CD1 4.41Å; I170-Y199 HydrophobicContact CD1-CD2 3.18Å; I170-Y199 HydrophobicContact CD1-CE2 3.71Å; I170-Y199 HydrophobicContact CD1-CG 3.57Å; I170-Y199 HydrophobicContact CG1-CD2 3.84Å; I170-Y199 HydrophobicContact CG1-CE2 3.86Å; I170-Y199 HydrophobicContact CG1-CG 4.25Å; I170-Y204 HydrophobicContact CD1-CD2 3.59Å; I170-Y204 HydrophobicContact CD1-CE2 4.05Å; I170-Y204 HydrophobicContact CD1-CG 4.27Å; I170-V205 PolarHBondContact N-O 2.69Å; I170-L206 HydrophobicContact CB-CD1 3.91Å; I170-L206 HydrophobicContact CG2-CD1 3.91Å; I170-L206 CarbonylContact O-C 3.48Å; I170-L206 WeakPolarHBondContact O-CA 3.34Å; I170-L206 WeakPolarHBondContact O-CD1 3.49Å; I170-I207 PolarHBondContact O-N 2.91Å |
| 171 | V | 96.5 | Very high | 91.3 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.4 | 179.6 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | L157 Q158 A160 I169 I207 F209 | L157-V171 WeakPolarHBondContact CA-O 3.3Å; Q158-V171 PolarHBondContact N-O 3.3Å; Q158-V171 PolarHBondContact O-N 3.49Å; A160-V171 HydrophobicContact CB-CG2 3.64Å; I169-V171 HydrophobicContact CG2-CG2 4.45Å; V171-I207 HydrophobicContact CG2-CB 4.3Å; V171-I207 HydrophobicContact CG2-CD1 4.49Å; V171-F209 HydrophobicContact CG1-CD2 3.59Å; V171-F209 HydrophobicContact CG1-CE2 3.45Å; V171-F209 VanDerWaalsContact CG1-CE2 3.45Å; V171-F209 HydrophobicContact CG2-CE2 4.33Å |
| 172 | F | 95 | Very high | 90.7 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.7 | 170.2 | -171.5 | -72.9 | 0 | 0 | 0 | 109.9 | V156 L157 L177 I192 L206 I207 Y208 F209 | V156-F172 HydrophobicContact CG1-CD2 4.38Å; V156-F172 HydrophobicContact CG1-CE1 4.14Å; V156-F172 HydrophobicContact CG1-CE2 3.82Å; V156-F172 HydrophobicContact CG1-CZ 3.69Å; V156-F172 WeakPolarHBondContact O-CA 3.45Å; L157-F172 HydrophobicContact CD1-CD2 3.37Å; L157-F172 HydrophobicContact CD1-CE2 3.57Å; L157-F172 HydrophobicContact CD1-CG 4.4Å; L157-F172 HydrophobicContact CG-CD2 4.07Å; F172-L177 HydrophobicContact CE1-CD1 3.96Å; F172-L177 HydrophobicContact CE1-CG 4.37Å; F172-L177 HydrophobicContact CZ-CD1 4.07Å; F172-L177 HydrophobicContact CZ-CD2 4.15Å; F172-L177 HydrophobicContact CZ-CG 4.37Å; F172-I192 HydrophobicContact CE2-CD1 3.85Å; F172-I192 HydrophobicContact CE2-CG1 4.36Å; F172-I192 HydrophobicContact CZ-CD1 4.45Å; F172-L206 HydrophobicContact CB-CD1 4.37Å; F172-I207 PolarHBondContact N-O 3.41Å; F172-Y208 HydrophobicContact CB-CD2 4.12Å; F172-Y208 AromaticContact CD1-CD2 3.34Å; F172-Y208 HydrophobicContact CD1-CD2 3.34Å; F172-Y208 AromaticContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CE1-CD2 4.06Å; F172-Y208 AromaticContact CE1-CE2 3.62Å; F172-Y208 HydrophobicContact CE1-CE2 3.62Å; F172-Y208 AromaticContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CE2 4.37Å; F172-F209 PolarHBondContact O-N 3.5Å |
| 173 | S | 93.8 | Very high | 90 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 106.5 | -177.5 | -65.1 | 0 | 0 | 0 | 0 | 112 | V156 C175 R176 | V156-S173 PolarHBondContact O-N 3.16Å; S173-C175 VanDerWaalsContact C-N 3.3Å; S173-C175 PolarHBondContact O-N 3Å; S173-R176 PolarHBondContact O-N 3.01Å |
| 174 | A | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -67.7 | -27.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R176 L177 Y208 F209 L213 | A174-R176 PolarHBondContact O-N 2.86Å; A174-L177 HydrophobicContact CB-CD1 4.48Å; A174-L177 WeakPolarHBondContact O-CB 3.28Å; A174-L177 PolarHBondContact O-N 3.48Å; A174-Y208 HydrophobicContact CB-CE2 4.09Å; A174-F209 WeakPolarHBondContact CB-O 3.49Å; A174-F209 PolarHBondContact N-O 3Å; A174-L213 HydrophobicContact CB-CB 4.1Å; A174-L213 HydrophobicContact CB-CD1 4.06Å |
| 175 | C | 88.2 | Confident | 89.3 | Confident | 70 Ų | 70 | 53.5 Ų | 53.5 | 47% | 0.473 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -64 | -21.8 | 176.1 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | S173 F211 | S173-C175 VanDerWaalsContact C-N 3.3Å; S173-C175 PolarHBondContact O-N 3Å; C175-F211 WeakPolarHBondContact CB-O 3.45Å; C175-F211 PolarHBondContact N-O 3.18Å |
| 176 | R | 89.2 | Confident | 89 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -93.1 | -1.9 | -179.8 | -66.8 | 176.9 | 178.5 | -148.3 | 10.4 | 112.7 | L154 G155 V156 Q158 S173 A174 | L154-R176 WeakPolarHBondContact O-CB 3.46Å; L154-R176 VanDerWaalsContact O-CD 3.3Å; L154-R176 WeakPolarHBondContact O-CD 3.17Å; G155-R176 WeakPolarHBondContact O-CD 3.46Å; G155-R176 PolarHBondContact O-NH1 2.63Å; V156-R176 HydrophobicContact CG2-CB 4.46Å; Q158-R176 VanDerWaalsContact NE2-CZ 3.27Å; S173-R176 PolarHBondContact O-N 3.01Å; A174-R176 PolarHBondContact O-N 2.86Å |
| 177 | L | 87.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -70 | 128 | 173.2 | -72.9 | 171.6 | 0 | 0 | 0 | 109.6 | V156 F172 A174 L188 L213 | V156-L177 HydrophobicContact CG1-CD2 3.57Å; V156-L177 HydrophobicContact CG1-CG 4.1Å; V156-L177 HydrophobicContact CG2-CD2 4.18Å; F172-L177 HydrophobicContact CE1-CD1 3.96Å; F172-L177 HydrophobicContact CE1-CG 4.37Å; F172-L177 HydrophobicContact CZ-CD1 4.07Å; F172-L177 HydrophobicContact CZ-CD2 4.15Å; F172-L177 HydrophobicContact CZ-CG 4.37Å; A174-L177 HydrophobicContact CB-CD1 4.48Å; A174-L177 WeakPolarHBondContact O-CB 3.28Å; A174-L177 PolarHBondContact O-N 3.48Å; L177-L188 HydrophobicContact CD2-CD1 4.28Å; L177-L188 HydrophobicContact CD2-CD2 3.64Å; L177-L213 HydrophobicContact CD1-CD1 3.87Å |
| 178 | P | 82.4 | Confident | 88.7 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 165.3 | 177.1 | 33.6 | -32.6 | 0 | 0 | 0 | 109.3 | L154 I183 | L154-P178 HydrophobicContact CD1-CB 4.27Å; L154-P178 HydrophobicContact CD1-CG 3.76Å; P178-I183 HydrophobicContact CB-CB 4.47Å; P178-I183 HydrophobicContact CG-CB 3.62Å; P178-I183 HydrophobicContact CG-CD1 3.65Å; P178-I183 HydrophobicContact CG-CG1 4.25Å; P178-I183 HydrophobicContact CG-CG2 3.47Å; P178-I183 VanDerWaalsContact CG-CG2 3.47Å |
| 179 | A | 81.2 | Confident | 88.5 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 149.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | D181 L182 K216 | A179-D181 PolarHBondContact O-N 3.39Å; A179-L182 HydrophobicContact CB-CD1 3.7Å; A179-L182 PolarHBondContact O-N 2.94Å; A179-K216 WeakPolarHBondContact CA-O 3.4Å |
| 180 | A | 79.3 | Confident | 88.4 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -26.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H185 K216 | A180-H185 VanDerWaalsContact CA-CE1 3.45Å; A180-H185 WeakPolarHBondContact CA-CE1 3.38Å; A180-H185 PolarHBondContact O-CE1 2.77Å; A180-K216 PolarHBondContact N-O 2.89Å; A180-K216 VanDerWaalsContact N-O 3.1Å |
| 181 | D | 78 | Confident | 88.3 | Confident | 157 Ų | 157 | 49 Ų | 49 | 84% | 0.84 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -15.2 | -177.7 | -53 | -41.1 | 0 | 0 | 0 | 113.2 | A179 | A179-D181 PolarHBondContact O-N 3.39Š|
| 182 | L | 81 | Confident | 88.2 | Confident | 146 Ų | 146 | 48.4 Ų | 48.4 | 76% | 0.764 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -17.8 | -176.7 | -80.5 | 96.4 | 0 | 0 | 0 | 113.8 | A179 | A179-L182 HydrophobicContact CB-CD1 3.7Å; A179-L182 PolarHBondContact O-N 2.94Å |
| 183 | I | 81.2 | Confident | 88.1 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.108 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -129 | 145 | -176.6 | -155 | 154.1 | 0 | 0 | 0 | 113 | I151 L154 P178 H185 | I151-I183 HydrophobicContact CG1-CD1 3.6Å; L154-I183 HydrophobicContact CD1-CD1 3.95Å; P178-I183 HydrophobicContact CB-CB 4.47Å; P178-I183 HydrophobicContact CG-CB 3.62Å; P178-I183 HydrophobicContact CG-CD1 3.65Å; P178-I183 HydrophobicContact CG-CG1 4.25Å; P178-I183 HydrophobicContact CG-CG2 3.47Å; P178-I183 VanDerWaalsContact CG-CG2 3.47Å; I183-H185 PolarHBondContact O-N 2.78Å; I183-H185 PolarHBondContact O-ND1 2.97Å |
| 184 | D | 87.4 | Confident | 88.2 | Confident | 96 Ų | 96 | 51.5 Ų | 51.5 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | trans | -69.8 | 113.8 | 164.7 | -179.4 | 16.7 | 0 | 0 | 0 | 109.7 | Q186 H187 L188 | D184-Q186 PolarHBondContact O-N 3.4Å; D184-Q186 PolarHBondContact OD1-N 2.81Å; D184-H187 HydrophobicContact CB-CB 3.88Å; D184-H187 PolarHBondContact O-N 2.92Å; D184-H187 PolarHBondContact OD2-N 2.81Å; D184-L188 PolarHBondContact O-N 3.48Å | ||
| 185 | H | 87.7 | Confident | 88.3 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 15% | 0.148 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -27.9 | 178.4 | -67.1 | 80.3 | 0 | 0 | 0 | 112.2 | A180 I183 L189 W223 | A180-H185 VanDerWaalsContact CA-CE1 3.45Å; A180-H185 WeakPolarHBondContact CA-CE1 3.38Å; A180-H185 PolarHBondContact O-CE1 2.77Å; I183-H185 PolarHBondContact O-N 2.78Å; I183-H185 PolarHBondContact O-ND1 2.97Å; H185-L189 WeakPolarHBondContact O-CB 3.29Å; H185-L189 PolarHBondContact O-N 2.78Å; H185-W223 VanDerWaalsContact CB-CD1 3.5Å; H185-W223 HydrophobicContact CB-CG 4.17Å; H185-W223 PolarHBondContact O-NE1 2.85Å |
| 186 | Q | 90.5 | Very high | 88.6 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.7 | -46.5 | 174.6 | -65.6 | -58.6 | -39.8 | 0 | 0 | 110.4 | D184 L188 L189 M190 | D184-Q186 PolarHBondContact O-N 3.4Å; D184-Q186 PolarHBondContact OD1-N 2.81Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.84Å; Q186-L189 WeakPolarHBondContact O-CB 3.24Å; Q186-L189 PolarHBondContact O-N 2.86Å; Q186-L189 VanDerWaalsContact O-N 3.09Å; Q186-M190 WeakPolarHBondContact O-CG 3.33Å; Q186-M190 PolarHBondContact O-N 3.48Å |
| 187 | H | 91.4 | Very high | 88.9 | Confident | 55 Ų | 55 | 47.2 Ų | 47.2 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.1 | -45.5 | 174.7 | -155.1 | 59.8 | 0 | 0 | 0 | 111.9 | Y148 D150 I151 D184 L189 M190 Y191 | Y148-H187 AromaticContact CD1-CD2 3.81Å; Y148-H187 AromaticContact CD1-CE1 3.29Å; Y148-H187 WeakPolarHBondContact CD1-CE1 3.05Å; Y148-H187 AromaticContact CD1-ND1 3.81Å; Y148-H187 AromaticContact CD1-NE2 3.28Å; Y148-H187 VanDerWaalsContact CD1-NE2 3.28Å; Y148-H187 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H187 AromaticContact CE1-CE1 3.36Å; Y148-H187 WeakPolarHBondContact CE1-CE1 3.41Å; Y148-H187 AromaticContact CE1-ND1 3.61Å; Y148-H187 AromaticContact CE1-NE2 3.85Å; D150-H187 IonicContact OD1-CD2 3.58Å; D150-H187 IonicContact OD1-NE2 2.78Å; D150-H187 IonicContact OD2-CD2 3.65Å; D150-H187 PolarHBondContact OD2-CD2 3.36Å; I151-H187 VanDerWaalsContact CD1-C 3.48Å; I151-H187 HydrophobicContact CD1-CB 4.11Å; I151-H187 WeakPolarHBondContact CD1-CD2 3.08Å; I151-H187 WeakPolarHBondContact CD1-O 3.12Å; D184-H187 HydrophobicContact CB-CB 3.88Å; D184-H187 PolarHBondContact O-N 2.92Å; D184-H187 PolarHBondContact OD2-N 2.81Å; H187-L189 PolarHBondContact O-N 3.13Å; H187-M190 PolarHBondContact O-N 2.9Å; H187-Y191 PolarHBondContact O-N 2.99Å |
| 188 | L | 92.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 173.3 | 177.3 | 65.8 | 0 | 0 | 0 | 112.1 | I151 L177 D184 Q186 M190 Y191 I192 W223 | I151-L188 HydrophobicContact CG2-CD1 3.72Å; L177-L188 HydrophobicContact CD2-CD1 4.28Å; L177-L188 HydrophobicContact CD2-CD2 3.64Å; D184-L188 PolarHBondContact O-N 3.48Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.84Å; L188-M190 VanDerWaalsContact C-N 3.33Å; L188-M190 PolarHBondContact O-N 2.81Å; L188-Y191 PolarHBondContact O-N 2.94Å; L188-I192 HydrophobicContact CD1-CD1 3.98Å; L188-I192 HydrophobicContact CD1-CG1 4.28Å; L188-I192 HydrophobicContact CD2-CD1 4.5Å; L188-I192 HydrophobicContact CG-CD1 3.82Å; L188-I192 WeakPolarHBondContact O-CD1 3.49Å; L188-I192 WeakPolarHBondContact O-CG1 3.33Å; L188-I192 PolarHBondContact O-N 3.4Å; L188-W223 HydrophobicContact CD2-CH2 4.47Å; L188-W223 HydrophobicContact CD2-CZ2 4.24Å; L188-W223 HydrophobicContact CG-CZ2 4.47Å |
| 189 | L | 92.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 179.1 | 179.9 | 58 | 0 | 0 | 0 | 111.9 | H185 Q186 H187 I192 T193 W223 Q226 A227 F231 | H185-L189 WeakPolarHBondContact O-CB 3.29Å; H185-L189 PolarHBondContact O-N 2.78Å; Q186-L189 WeakPolarHBondContact O-CB 3.24Å; Q186-L189 PolarHBondContact O-N 2.86Å; Q186-L189 VanDerWaalsContact O-N 3.09Å; H187-L189 PolarHBondContact O-N 3.13Å; L189-I192 PolarHBondContact O-N 3.11Å; L189-T193 WeakPolarHBondContact O-CB 3.44Å; L189-T193 PolarHBondContact O-N 3.4Å; L189-T193 PolarHBondContact O-OG1 2.98Å; L189-W223 HydrophobicContact CB-CZ2 3.93Å; L189-W223 HydrophobicContact CD1-CZ2 4.29Å; L189-Q226 HydrophobicContact CD2-CG 4.29Å; L189-A227 HydrophobicContact CD1-CB 3.54Å; L189-A227 HydrophobicContact CD2-CB 4.26Å; L189-F231 HydrophobicContact CD1-CE2 4.2Å; L189-F231 HydrophobicContact CD1-CZ 3.9Å |
| 190 | M | 93.9 | Very high | 90.2 | Very high | 94 Ų | 94 | 48.7 Ų | 48.7 | 46% | 0.463 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.2 | -71.6 | 174.6 | 62.3 | 0 | 0 | 111.2 | Y148 Q186 H187 L188 I192 T193 K194 | Y148-M190 HydrophobicContact CE1-CB 4.08Å; Q186-M190 WeakPolarHBondContact O-CG 3.33Å; Q186-M190 PolarHBondContact O-N 3.48Å; H187-M190 PolarHBondContact O-N 2.9Å; L188-M190 VanDerWaalsContact C-N 3.33Å; L188-M190 PolarHBondContact O-N 2.81Å; M190-I192 PolarHBondContact O-N 2.89Å; M190-T193 PolarHBondContact O-N 2.69Å; M190-T193 VanDerWaalsContact O-N 3.13Å; M190-K194 WeakPolarHBondContact O-CB 3.45Å; M190-K194 WeakPolarHBondContact O-CG 3.48Å; M190-K194 PolarHBondContact O-N 2.88Å |
| 191 | Y | 94.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -48.9 | 175.4 | 173 | -100 | 0 | 0 | 0 | 112.1 | I144 D145 Y148 I151 L157 H187 L188 T193 K194 T195 | I144-Y191 HydrophobicContact CG2-CD2 3.88Å; I144-Y191 HydrophobicContact CG2-CE2 3.89Å; D145-Y191 PolarHBondContact OD1-OH 3.35Å; D145-Y191 VanDerWaalsContact OD1-OH 3.11Å; Y148-Y191 VanDerWaalsContact CB-CD2 3.49Å; Y148-Y191 HydrophobicContact CD1-CD2 4.45Å; Y148-Y191 AromaticContact CD2-CD2 3.95Å; Y148-Y191 HydrophobicContact CD2-CD2 3.95Å; Y148-Y191 AromaticContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CD2 3.73Å; Y148-Y191 HydrophobicContact CG-CG 4.33Å; I151-Y191 HydrophobicContact CB-CD1 4.29Å; I151-Y191 HydrophobicContact CB-CG 4.17Å; I151-Y191 HydrophobicContact CD1-CG 4.46Å; I151-Y191 HydrophobicContact CG2-CD1 3.31Å; I151-Y191 HydrophobicContact CG2-CD2 4.36Å; I151-Y191 HydrophobicContact CG2-CE1 3.75Å; I151-Y191 HydrophobicContact CG2-CG 3.64Å; L157-Y191 HydrophobicContact CB-CE1 4.44Å; H187-Y191 PolarHBondContact O-N 2.99Å; L188-Y191 PolarHBondContact O-N 2.94Å; Y191-T193 VanDerWaalsContact C-N 3.29Å; Y191-T193 PolarHBondContact O-N 3.46Å; Y191-K194 PolarHBondContact O-N 3.24Å; Y191-T195 VanDerWaalsContact O-CB 3.29Å; Y191-T195 WeakPolarHBondContact O-CB 3.43Å; Y191-T195 PolarHBondContact O-N 3.23Å; Y191-T195 PolarHBondContact O-OG1 3.38Å |
| 192 | I | 93.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 177.5 | -64 | 165.2 | 0 | 0 | 0 | 110.2 | L157 F172 L188 L189 M190 T195 L196 W223 F231 | L157-I192 HydrophobicContact CD1-CB 4.49Å; L157-I192 HydrophobicContact CD1-CG1 3.73Å; L157-I192 HydrophobicContact CD1-CG2 4.37Å; L157-I192 HydrophobicContact CD2-CG2 4.1Å; F172-I192 HydrophobicContact CE2-CD1 3.85Å; F172-I192 HydrophobicContact CE2-CG1 4.36Å; F172-I192 HydrophobicContact CZ-CD1 4.45Å; L188-I192 HydrophobicContact CD1-CD1 3.98Å; L188-I192 HydrophobicContact CD1-CG1 4.28Å; L188-I192 HydrophobicContact CD2-CD1 4.5Å; L188-I192 HydrophobicContact CG-CD1 3.82Å; L188-I192 WeakPolarHBondContact O-CD1 3.49Å; L188-I192 WeakPolarHBondContact O-CG1 3.33Å; L188-I192 PolarHBondContact O-N 3.4Å; L189-I192 PolarHBondContact O-N 3.11Å; M190-I192 PolarHBondContact O-N 2.89Å; I192-T195 PolarHBondContact O-N 2.87Å; I192-L196 HydrophobicContact CG2-CD1 3.93Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.46Å; I192-L196 PolarHBondContact O-N 2.92Å; I192-W223 HydrophobicContact CD1-CH2 4.4Å; I192-F231 HydrophobicContact CB-CZ 4.49Å; I192-F231 HydrophobicContact CG2-CE1 4.37Å; I192-F231 HydrophobicContact CG2-CZ 3.68Å |
| 193 | T | 94.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | -179.3 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | L189 M190 Y191 T195 L196 E197 T230 F235 | L189-T193 WeakPolarHBondContact O-CB 3.44Å; L189-T193 PolarHBondContact O-N 3.4Å; L189-T193 PolarHBondContact O-OG1 2.98Å; M190-T193 PolarHBondContact O-N 2.69Å; M190-T193 VanDerWaalsContact O-N 3.13Å; Y191-T193 VanDerWaalsContact C-N 3.29Å; Y191-T193 PolarHBondContact O-N 3.46Å; T193-T195 PolarHBondContact O-N 2.81Å; T193-L196 PolarHBondContact O-N 2.88Å; T193-E197 HydrophobicContact CG2-CG 4.45Å; T193-E197 VanDerWaalsContact O-CG 3.3Å; T193-E197 WeakPolarHBondContact O-CG 3.5Å; T193-E197 PolarHBondContact O-N 2.8Å; T193-T230 HydrophobicContact CG2-CG2 4.27Å; T193-F235 HydrophobicContact CG2-CE1 4.38Å; T193-F235 HydrophobicContact CG2-CZ 3.75Å |
| 194 | K | 94.5 | Very high | 93 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 39% | 0.391 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.9 | -70.5 | -74.2 | 157.7 | -152.3 | 0 | 112.2 | I144 M190 Y191 L196 E197 | I144-K194 HydrophobicContact CD1-CB 4.33Å; I144-K194 WeakPolarHBondContact CD1-O 3.19Å; I144-K194 HydrophobicContact CG1-CB 4.42Å; I144-K194 HydrophobicContact CG2-CB 4.15Å; M190-K194 WeakPolarHBondContact O-CB 3.45Å; M190-K194 WeakPolarHBondContact O-CG 3.48Å; M190-K194 PolarHBondContact O-N 2.88Å; Y191-K194 PolarHBondContact O-N 3.24Å; K194-L196 VanDerWaalsContact C-N 3.31Å; K194-L196 PolarHBondContact O-N 3.48Å; K194-E197 WeakPolarHBondContact CD-OE2 3.18Å; K194-E197 IonicContact NZ-OE1 2.87Å; K194-E197 IonicContact NZ-OE2 3.11Å; K194-E197 PolarHBondContact NZ-OE2 3.4Å; K194-E197 WeakPolarHBondContact O-CB 3.34Å; K194-E197 PolarHBondContact O-N 3.43Å |
| 195 | T | 94.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 176.5 | -62 | 0 | 0 | 0 | 0 | 112 | L157 Y191 I192 T193 Q198 Y199 | L157-T195 HydrophobicContact CB-CG2 4.07Å; L157-T195 HydrophobicContact CD2-CG2 3.54Å; L157-T195 HydrophobicContact CG-CG2 4.45Å; Y191-T195 VanDerWaalsContact O-CB 3.29Å; Y191-T195 WeakPolarHBondContact O-CB 3.43Å; Y191-T195 PolarHBondContact O-N 3.23Å; Y191-T195 PolarHBondContact O-OG1 3.38Å; I192-T195 PolarHBondContact O-N 2.87Å; T193-T195 PolarHBondContact O-N 2.81Å; T195-Q198 VanDerWaalsContact O-CG 3.3Å; T195-Q198 WeakPolarHBondContact O-CG 3.43Å; T195-Q198 PolarHBondContact O-NE2 3.04Å; T195-Y199 VanDerWaalsContact O-CD2 3.24Å; T195-Y199 WeakPolarHBondContact O-CD2 3.28Å; T195-Y199 WeakPolarHBondContact O-CE2 3.34Å |
| 196 | L | 93.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -78.3 | -30.8 | 177.9 | -70.6 | 179.4 | 0 | 0 | 0 | 112.6 | L157 I170 I192 T193 K194 Q198 Y199 V200 F231 F235 | L157-L196 HydrophobicContact CD2-CD2 4.28Å; L157-L196 HydrophobicContact CD2-CG 4.27Å; I170-L196 HydrophobicContact CD1-CD2 3.64Å; I170-L196 HydrophobicContact CG2-CD2 4.2Å; I192-L196 HydrophobicContact CG2-CD1 3.93Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.46Å; I192-L196 PolarHBondContact O-N 2.92Å; T193-L196 PolarHBondContact O-N 2.88Å; K194-L196 VanDerWaalsContact C-N 3.31Å; K194-L196 PolarHBondContact O-N 3.48Å; L196-Q198 PolarHBondContact O-N 3.33Å; L196-Y199 PolarHBondContact O-N 3.13Å; L196-V200 VanDerWaalsContact O-CG1 3.3Å; L196-V200 WeakPolarHBondContact O-CG1 3.39Å; L196-V200 PolarHBondContact O-N 2.78Å; L196-V200 VanDerWaalsContact O-N 3.17Å; L196-F231 HydrophobicContact CD1-CE1 3.98Å; L196-F231 HydrophobicContact CD1-CZ 4.24Å; L196-F235 HydrophobicContact CB-CD1 3.91Å; L196-F235 HydrophobicContact CB-CE1 3.76Å; L196-F235 HydrophobicContact CD1-CD1 4.49Å |
| 197 | E | 94.2 | Very high | 94.1 | Very high | 81 Ų | 81 | 36.8 Ų | 36.8 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.6 | -33.8 | 179.2 | -84.7 | 173.1 | -178.4 | 0 | 0 | 112.7 | T193 K194 Y199 V200 F235 | T193-E197 HydrophobicContact CG2-CG 4.45Å; T193-E197 VanDerWaalsContact O-CG 3.3Å; T193-E197 WeakPolarHBondContact O-CG 3.5Å; T193-E197 PolarHBondContact O-N 2.8Å; K194-E197 WeakPolarHBondContact CD-OE2 3.18Å; K194-E197 IonicContact NZ-OE1 2.87Å; K194-E197 IonicContact NZ-OE2 3.11Å; K194-E197 PolarHBondContact NZ-OE2 3.4Å; K194-E197 WeakPolarHBondContact O-CB 3.34Å; K194-E197 PolarHBondContact O-N 3.43Å; E197-Y199 PolarHBondContact O-N 2.83Å; E197-V200 WeakPolarHBondContact O-CG2 3.35Å; E197-V200 PolarHBondContact O-N 3.18Å; E197-F235 HydrophobicContact CG-CE1 4.13Å; E197-F235 HydrophobicContact CG-CZ 3.82Å |
| 198 | Q | 92.6 | Very high | 94.3 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.6 | 176.6 | 77.8 | -164.3 | -29 | 0 | 0 | 113.5 | V140 T195 L196 | V140-Q198 HydrophobicContact CG1-CB 4Å; T195-Q198 VanDerWaalsContact O-CG 3.3Å; T195-Q198 WeakPolarHBondContact O-CG 3.43Å; T195-Q198 PolarHBondContact O-NE2 3.04Å; L196-Q198 PolarHBondContact O-N 3.33Å |
| 199 | Y | 93.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 14% | 0.141 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -13.9 | -177.9 | -55.6 | -68.3 | 0 | 0 | 0 | 113.3 | K168 I170 T195 L196 E197 S201 I202 Y204 | K168-Y199 HydrophobicContact CB-CD1 4.03Å; K168-Y199 HydrophobicContact CB-CE1 4.25Å; K168-Y199 HydrophobicContact CD-CE1 4.49Å; K168-Y199 HydrophobicContact CG-CD1 4.14Å; K168-Y199 HydrophobicContact CG-CE1 4.26Å; I170-Y199 HydrophobicContact CD1-CD1 4.41Å; I170-Y199 HydrophobicContact CD1-CD2 3.18Å; I170-Y199 HydrophobicContact CD1-CE2 3.71Å; I170-Y199 HydrophobicContact CD1-CG 3.57Å; I170-Y199 HydrophobicContact CG1-CD2 3.84Å; I170-Y199 HydrophobicContact CG1-CE2 3.86Å; I170-Y199 HydrophobicContact CG1-CG 4.25Å; T195-Y199 VanDerWaalsContact O-CD2 3.24Å; T195-Y199 WeakPolarHBondContact O-CD2 3.28Å; T195-Y199 WeakPolarHBondContact O-CE2 3.34Å; L196-Y199 PolarHBondContact O-N 3.13Å; E197-Y199 PolarHBondContact O-N 2.83Å; Y199-S201 PolarHBondContact O-N 3.4Å; Y199-S201 VanDerWaalsContact O-N 3.11Å; Y199-I202 HydrophobicContact CD1-CD1 4.26Å; Y199-I202 VanDerWaalsContact O-CG1 3.27Å; Y199-I202 WeakPolarHBondContact O-CG1 3.5Å; Y199-I202 PolarHBondContact O-N 3.45Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; Y199-Y204 WeakPolarHBondContact O-CD1 3.5Å |
| 200 | V | 93 | Very high | 94.2 | Very high | 24 Ų | 24 | 40.2 Ų | 40.2 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -16.7 | -174.6 | -57.6 | 0 | 0 | 0 | 0 | 114.2 | L196 E197 F235 N238 | L196-V200 VanDerWaalsContact O-CG1 3.3Å; L196-V200 WeakPolarHBondContact O-CG1 3.39Å; L196-V200 PolarHBondContact O-N 2.78Å; L196-V200 VanDerWaalsContact O-N 3.17Å; E197-V200 WeakPolarHBondContact O-CG2 3.35Å; E197-V200 PolarHBondContact O-N 3.18Å; V200-F235 HydrophobicContact CG1-CB 4.33Å; V200-F235 HydrophobicContact CG1-CD1 3.23Å; V200-F235 HydrophobicContact CG1-CE1 3.48Å; V200-F235 VanDerWaalsContact CG1-CE1 3.48Å; V200-F235 HydrophobicContact CG1-CG 3.81Å; V200-F235 HydrophobicContact CG1-CZ 4.24Å; V200-N238 PolarHBondContact O-ND2 2.91Å |
| 201 | S | 92.6 | Very high | 93.8 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 62% | 0.615 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -24.7 | 177 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | Y199 N238 | Y199-S201 PolarHBondContact O-N 3.4Å; Y199-S201 VanDerWaalsContact O-N 3.11Å; S201-N238 VanDerWaalsContact C-ND2 3.3Å; S201-N238 PolarHBondContact O-ND2 2.85Å; S201-N238 VanDerWaalsContact O-ND2 3.13Å |
| 202 | I | 93.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -112.7 | 163.4 | -176.5 | 58.6 | 173.5 | 0 | 0 | 0 | 111.4 | K168 Y199 Y204 N238 | K168-I202 HydrophobicContact CB-CD1 4.3Å; K168-I202 HydrophobicContact CG-CD1 3.52Å; Y199-I202 HydrophobicContact CD1-CD1 4.26Å; Y199-I202 VanDerWaalsContact O-CG1 3.27Å; Y199-I202 WeakPolarHBondContact O-CG1 3.5Å; Y199-I202 PolarHBondContact O-N 3.45Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; I202-Y204 WeakPolarHBondContact O-CD1 3.32Å; I202-Y204 PolarHBondContact O-N 3.25Å; I202-N238 WeakPolarHBondContact O-CB 3.26Å |
| 203 | D | 95.9 | Very high | 92.7 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | trans | -72.1 | 123.7 | 175.8 | -74 | -17.8 | 0 | 0 | 0 | 111 | R167 K168 K240 | R167-D203 WeakPolarHBondContact CA-O 3.46Å; R167-D203 WeakPolarHBondContact CB-O 3.3Å; R167-D203 HydrophobicContact CG-CB 4.08Å; K168-D203 PolarHBondContact N-O 3.26Å; D203-K240 HydrophobicContact CB-CG 4.18Å; D203-K240 VanDerWaalsContact CG-NZ 3.29Å; D203-K240 WeakPolarHBondContact OD1-CE 3.33Å; D203-K240 IonicContact OD1-NZ 3.53Å; D203-K240 PolarHBondContact OD1-NZ 3.06Å; D203-K240 WeakPolarHBondContact OD2-CE 3.43Å; D203-K240 IonicContact OD2-NZ 2.69Å; D203-K240 PolarHBondContact OD2-NZ 2.87Å; D203-K240 VanDerWaalsContact OD2-NZ 3.11Å | ||
| 204 | Y | 96.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.8 | -175.5 | 73.3 | -83.9 | 0 | 0 | 0 | 113.2 | K168 I170 Y199 I202 F235 N238 L239 K240 | K168-Y204 CarbonylContact O-C 3.57Å; K168-Y204 WeakPolarHBondContact O-CA 3.33Å; K168-Y204 WeakPolarHBondContact O-CB 3.44Å; I170-Y204 HydrophobicContact CD1-CD2 3.59Å; I170-Y204 HydrophobicContact CD1-CE2 4.05Å; I170-Y204 HydrophobicContact CD1-CG 4.27Å; Y199-Y204 WeakPolarHBondContact O-CD1 3.5Å; I202-Y204 WeakPolarHBondContact O-CD1 3.32Å; I202-Y204 PolarHBondContact O-N 3.25Å; Y204-F235 PolarHBondContact OH-O 3.09Å; Y204-N238 HydrophobicContact CD1-CB 4.27Å; Y204-N238 HydrophobicContact CE1-CB 4.28Å; Y204-N238 PolarHBondContact N-O 2.89Å; Y204-L239 HydrophobicContact CD2-CD1 3.83Å; Y204-L239 HydrophobicContact CE1-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CD1 3.54Å; Y204-L239 HydrophobicContact CE2-CG 4.39Å; Y204-K240 PolarHBondContact O-N 3.11Å |
| 205 | V | 96.7 | Very high | 91 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.7 | 179.2 | 172.3 | 0 | 0 | 0 | 0 | 108.4 | R167 K168 I170 I207 T241 Y243 | R167-V205 HydrophobicContact CB-CG2 4.38Å; K168-V205 PolarHBondContact O-N 3.41Å; I170-V205 PolarHBondContact N-O 2.69Å; V205-I207 HydrophobicContact CG1-CG1 4.4Å; V205-T241 WeakPolarHBondContact CA-O 3.5Å; V205-Y243 HydrophobicContact CG1-CD2 3.58Å; V205-Y243 HydrophobicContact CG1-CE2 3.6Å |
| 206 | L | 96.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128 | 176.6 | -174.5 | 62 | 0 | 0 | 0 | 109.5 | I170 F172 L239 T241 L242 Y243 | I170-L206 HydrophobicContact CB-CD1 3.91Å; I170-L206 HydrophobicContact CG2-CD1 3.91Å; I170-L206 CarbonylContact O-C 3.48Å; I170-L206 WeakPolarHBondContact O-CA 3.34Å; I170-L206 WeakPolarHBondContact O-CD1 3.49Å; F172-L206 HydrophobicContact CB-CD1 4.37Å; L206-L239 HydrophobicContact CB-CD1 3.64Å; L206-T241 PolarHBondContact N-O 2.76Å; L206-L242 HydrophobicContact CB-CD1 3.86Å; L206-L242 HydrophobicContact CD2-CD1 3.86Å; L206-L242 HydrophobicContact CG-CD1 3.82Å; L206-L242 CarbonylContact O-C 3.58Å; L206-L242 WeakPolarHBondContact O-CA 3.33Å; L206-Y243 PolarHBondContact O-N 2.99Å |
| 207 | I | 96.2 | Very high | 89.6 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.9 | 175 | -55.4 | -179.2 | 0 | 0 | 0 | 108.1 | I169 I170 V171 F172 V205 F209 Y243 V245 | I169-I207 HydrophobicContact CG2-CD1 3.48Å; I169-I207 VanDerWaalsContact CG2-CD1 3.48Å; I169-I207 HydrophobicContact CG2-CG1 3.95Å; I170-I207 PolarHBondContact O-N 2.91Å; V171-I207 HydrophobicContact CG2-CB 4.3Å; V171-I207 HydrophobicContact CG2-CD1 4.49Å; F172-I207 PolarHBondContact N-O 3.41Å; V205-I207 HydrophobicContact CG1-CG1 4.4Å; I207-F209 HydrophobicContact CB-CE2 4.47Å; I207-F209 HydrophobicContact CG2-CD2 4.12Å; I207-F209 HydrophobicContact CG2-CE2 3.59Å; I207-F209 HydrophobicContact CG2-CZ 3.9Å; I207-Y243 CarbonylContact C-O 3.53Å; I207-Y243 WeakPolarHBondContact CA-O 3.32Å; I207-Y243 HydrophobicContact CG1-CD2 4.21Å; I207-V245 HydrophobicContact CG2-CG2 3.65Å |
| 208 | Y | 94.8 | Very high | 88.9 | Confident | 46 Ų | 46 | 63 Ų | 63 | 18% | 0.18 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 108.3 | 178.1 | 178 | -114.9 | 0 | 0 | 0 | 110.6 | F172 A174 H210 Y243 I244 V245 I251 | F172-Y208 HydrophobicContact CB-CD2 4.12Å; F172-Y208 AromaticContact CD1-CD2 3.34Å; F172-Y208 HydrophobicContact CD1-CD2 3.34Å; F172-Y208 AromaticContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CD1-CE2 3.38Å; F172-Y208 HydrophobicContact CE1-CD2 4.06Å; F172-Y208 AromaticContact CE1-CE2 3.62Å; F172-Y208 HydrophobicContact CE1-CE2 3.62Å; F172-Y208 AromaticContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CD2 3.95Å; F172-Y208 HydrophobicContact CG-CE2 4.37Å; A174-Y208 HydrophobicContact CB-CE2 4.09Å; Y208-H210 HydrophobicContact CD1-CB 4.1Å; Y208-H210 HydrophobicContact CE1-CB 3.52Å; Y208-H210 AromaticContact CE1-CG 3.77Å; Y208-H210 AromaticContact CE1-ND1 3.41Å; Y208-H210 WeakPolarHBondContact CE1-ND1 3.4Å; Y208-H210 AromaticContact CZ-ND1 3.54Å; Y208-H210 PolarHBondContact O-N 2.77Å; Y208-H210 PolarHBondContact OH-ND1 2.87Å; Y208-Y243 PolarHBondContact N-O 3.2Å; Y208-I244 HydrophobicContact CD1-CG1 4.3Å; Y208-I244 HydrophobicContact CD1-CG2 4.02Å; Y208-V245 PolarHBondContact O-N 2.78Å; Y208-I251 HydrophobicContact CE1-CD1 4.03Å |
| 209 | F | 93.8 | Very high | 88.4 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 107.7 | 169.4 | -67.7 | -86 | 0 | 0 | 0 | 109.2 | V171 F172 A174 I207 V245 | V171-F209 HydrophobicContact CG1-CD2 3.59Å; V171-F209 HydrophobicContact CG1-CE2 3.45Å; V171-F209 VanDerWaalsContact CG1-CE2 3.45Å; V171-F209 HydrophobicContact CG2-CE2 4.33Å; F172-F209 PolarHBondContact O-N 3.5Å; A174-F209 WeakPolarHBondContact CB-O 3.49Å; A174-F209 PolarHBondContact N-O 3Å; I207-F209 HydrophobicContact CB-CE2 4.47Å; I207-F209 HydrophobicContact CG2-CD2 4.12Å; I207-F209 HydrophobicContact CG2-CE2 3.59Å; I207-F209 HydrophobicContact CG2-CZ 3.9Å; F209-V245 HydrophobicContact CD1-CB 3.61Å; F209-V245 HydrophobicContact CD1-CG1 3.7Å; F209-V245 HydrophobicContact CD1-CG2 4.1Å; F209-V245 HydrophobicContact CE1-CB 3.83Å; F209-V245 HydrophobicContact CE1-CG1 3.68Å; F209-V245 HydrophobicContact CE1-CG2 3.89Å; F209-V245 HydrophobicContact CG-CB 4.32Å; F209-V245 HydrophobicContact CZ-CG2 4.3Å |
| 210 | H | 89.4 | Confident | 88 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | trans | -83.1 | -16.6 | -178.5 | -173 | 59.7 | 0 | 0 | 0 | 113.4 | Y208 G212 L213 V245 T248 I251 | Y208-H210 HydrophobicContact CD1-CB 4.1Å; Y208-H210 HydrophobicContact CE1-CB 3.52Å; Y208-H210 AromaticContact CE1-CG 3.77Å; Y208-H210 AromaticContact CE1-ND1 3.41Å; Y208-H210 WeakPolarHBondContact CE1-ND1 3.4Å; Y208-H210 AromaticContact CZ-ND1 3.54Å; Y208-H210 PolarHBondContact O-N 2.77Å; Y208-H210 PolarHBondContact OH-ND1 2.87Å; H210-G212 PolarHBondContact O-N 2.75Å; H210-L213 PolarHBondContact O-N 2.84Å; H210-V245 PolarHBondContact N-O 2.8Å; H210-V245 VanDerWaalsContact N-O 3.07Å; H210-T248 WeakPolarHBondContact CD2-CG2 3.48Å; H210-T248 PolarHBondContact CD2-OG1 2.81Å; H210-T248 VanDerWaalsContact CD2-OG1 3.27Å; H210-T248 VanDerWaalsContact NE2-CG2 3.29Å; H210-T248 WeakPolarHBondContact NE2-CG2 2.97Å; H210-T248 PolarHBondContact NE2-OG1 2.87Å; H210-I251 HydrophobicContact CB-CD1 4.06Å; H210-I251 VanDerWaalsContact CD2-CD1 3.5Å; H210-I251 WeakPolarHBondContact CD2-CD1 3.28Å; H210-I251 VanDerWaalsContact CE1-CD1 3.42Å; H210-I251 WeakPolarHBondContact CE1-CD1 3.33Å; H210-I251 VanDerWaalsContact ND1-CD1 3.33Å; H210-I251 WeakPolarHBondContact ND1-CD1 3.49Å | ||
| 211 | F | 86.1 | Confident | 87.6 | Confident | 155 Ų | 155 | 73.7 Ų | 73.7 | 68% | 0.68 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 139.4 | 179.2 | -175.4 | -99.5 | 0 | 0 | 0 | 111.4 | C175 H246 | C175-F211 WeakPolarHBondContact CB-O 3.45Å; C175-F211 PolarHBondContact N-O 3.18Å; F211-H246 HydrophobicContact CB-CB 4.44Å |
| 212 | G | 82.1 | Confident | 87.4 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -6.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H210 T214 N217 | H210-G212 PolarHBondContact O-N 2.75Å; G212-T214 PolarHBondContact O-N 3.29Å; G212-N217 PolarHBondContact O-ND2 2.96Å |
| 213 | L | 81.7 | Confident | 87.2 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | trans | -71.9 | 112.5 | 171.4 | -156.6 | 78.2 | 0 | 0 | 0 | 110.3 | A174 L177 H210 N217 R218 | A174-L213 HydrophobicContact CB-CB 4.1Å; A174-L213 HydrophobicContact CB-CD1 4.06Å; L177-L213 HydrophobicContact CD1-CD1 3.87Å; H210-L213 PolarHBondContact O-N 2.84Å; L213-N217 VanDerWaalsContact CA-OD1 3.29Å; L213-N217 WeakPolarHBondContact CA-OD1 3.45Å; L213-N217 WeakPolarHBondContact CD1-OD1 3.25Å; L213-N217 WeakPolarHBondContact CG-OD1 3.35Å; L213-R218 HydrophobicContact CD2-CB 4.32Å; L213-R218 HydrophobicContact CD2-CG 4.13Å; L213-R218 HydrophobicContact CG-CB 4.34Å | ||
| 214 | T | 77.7 | Confident | 86.9 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | trans | -110.5 | 157.9 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 109 | G212 K216 N217 R218 | G212-T214 PolarHBondContact O-N 3.29Å; T214-K216 PolarHBondContact O-N 2.97Å; T214-N217 PolarHBondContact N-OD1 3.18Å; T214-N217 PolarHBondContact O-N 3.24Å; T214-N217 PolarHBondContact O-OD1 3.49Å; T214-R218 PolarHBondContact O-N 3.43Å | ||
| 215 | N | 77.1 | Confident | 86.5 | Confident | 145 Ų | 145 | 78.3 Ų | 78.3 | 78% | 0.775 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -21.8 | 176.4 | -73.2 | -20.1 | 0 | 0 | 0 | 114.3 | ||
| 216 | K | 77.9 | Confident | 86.3 | Confident | 167 Ų | 167 | 81.5 Ų | 81.5 | 73% | 0.726 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.4 | 176.7 | -60.5 | -176.1 | 178.8 | -177.2 | 0 | 114.6 | A179 A180 T214 | A179-K216 WeakPolarHBondContact CA-O 3.4Å; A180-K216 PolarHBondContact N-O 2.89Å; A180-K216 VanDerWaalsContact N-O 3.1Å; T214-K216 PolarHBondContact O-N 2.97Å |
| 217 | N | 79 | Confident | 86.1 | Confident | 22 Ų | 22 | 80.2 Ų | 80.2 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -3.6 | 179.4 | 68.3 | 17.1 | 0 | 0 | 0 | 113.2 | G212 L213 T214 P219 | G212-N217 PolarHBondContact O-ND2 2.96Å; L213-N217 VanDerWaalsContact CA-OD1 3.29Å; L213-N217 WeakPolarHBondContact CA-OD1 3.45Å; L213-N217 WeakPolarHBondContact CD1-OD1 3.25Å; L213-N217 WeakPolarHBondContact CG-OD1 3.35Å; T214-N217 PolarHBondContact N-OD1 3.18Å; T214-N217 PolarHBondContact O-N 3.24Å; T214-N217 PolarHBondContact O-OD1 3.49Å; N217-P219 WeakPolarHBondContact O-CD 3.11Å |
| 218 | R | 80.9 | Confident | 85.8 | Confident | 140 Ų | 140 | 85.6 Ų | 85.6 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 121.7 | 179.2 | -176.9 | 177.7 | -179.9 | -170.2 | 0.8 | 109.8 | L213 T214 | L213-R218 HydrophobicContact CD2-CB 4.32Å; L213-R218 HydrophobicContact CD2-CG 4.13Å; L213-R218 HydrophobicContact CG-CB 4.34Å; T214-R218 PolarHBondContact O-N 3.43Å |
| 219 | P | 81.2 | Confident | 85.6 | Confident | 22 Ų | 22 | 92.9 Ų | 92.9 | 14% | 0.143 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 149.3 | 174.6 | 27.4 | -34.8 | 0 | 0 | 0 | 110.7 | N217 W223 | N217-P219 WeakPolarHBondContact O-CD 3.11Å; P219-W223 HydrophobicContact CB-CD2 3.84Å; P219-W223 HydrophobicContact CB-CE3 3.31Å; P219-W223 HydrophobicContact CB-CG 4.38Å; P219-W223 HydrophobicContact CB-CZ3 3.76Å; P219-W223 HydrophobicContact CG-CE3 3.54Å; P219-W223 HydrophobicContact CG-CH2 4.49Å; P219-W223 HydrophobicContact CG-CZ3 3.53Å |
| 220 | K | 84.9 | Confident | 85.5 | Confident | 160 Ų | 160 | 92.2 Ų | 92.2 | 70% | 0.696 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 145.7 | 179.3 | -64.4 | 179.4 | -177.7 | 171.9 | 0 | 110.5 | K222 W223 L224 | K220-K222 PolarHBondContact O-N 3.05Å; K220-W223 WeakPolarHBondContact O-CA 3.1Å; K220-W223 WeakPolarHBondContact O-CB 3.29Å; K220-W223 PolarHBondContact O-N 2.79Å; K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.13Å |
| 221 | F | 85.6 | Confident | 85.6 | Confident | 149 Ų | 149 | 93.4 Ų | 93.4 | 65% | 0.654 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -55.9 | -37.6 | 178.6 | -177.9 | -103.5 | 0 | 0 | 0 | 112.8 | W223 L224 V225 | F221-W223 VanDerWaalsContact C-N 3.29Å; F221-W223 PolarHBondContact O-N 3.47Å; F221-L224 WeakPolarHBondContact O-CB 3.45Å; F221-L224 PolarHBondContact O-N 2.87Å; F221-L224 VanDerWaalsContact O-N 3.11Å; F221-V225 HydrophobicContact CD1-CG2 4.07Å; F221-V225 HydrophobicContact CE1-CG2 3.63Å; F221-V225 HydrophobicContact CE2-CG2 4.38Å; F221-V225 HydrophobicContact CZ-CG2 3.81Å; F221-V225 WeakPolarHBondContact O-CG2 3.19Å; F221-V225 PolarHBondContact O-N 3.03Å |
| 222 | K | 88.5 | Confident | 85.6 | Confident | 173 Ų | 173 | 87.4 Ų | 87.4 | 75% | 0.752 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.9 | -41.3 | 173.9 | -173.3 | -179.9 | 178.1 | -178 | 0 | 112.3 | K220 V225 Q226 | K220-K222 PolarHBondContact O-N 3.05Å; K222-V225 PolarHBondContact O-N 2.83Å; K222-Q226 PolarHBondContact O-N 3.38Å |
| 223 | W | 88.9 | Confident | 86 | Confident | 27 Ų | 27 | 96.4 Ų | 96.4 | 10% | 0.102 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.7 | 178.7 | 87.3 | 0 | 0 | 0 | 111.4 | H185 L188 L189 I192 P219 K220 F221 V225 Q226 A227 | H185-W223 VanDerWaalsContact CB-CD1 3.5Å; H185-W223 HydrophobicContact CB-CG 4.17Å; H185-W223 PolarHBondContact O-NE1 2.85Å; L188-W223 HydrophobicContact CD2-CH2 4.47Å; L188-W223 HydrophobicContact CD2-CZ2 4.24Å; L188-W223 HydrophobicContact CG-CZ2 4.47Å; L189-W223 HydrophobicContact CB-CZ2 3.93Å; L189-W223 HydrophobicContact CD1-CZ2 4.29Å; I192-W223 HydrophobicContact CD1-CH2 4.4Å; P219-W223 HydrophobicContact CB-CD2 3.84Å; P219-W223 HydrophobicContact CB-CE3 3.31Å; P219-W223 HydrophobicContact CB-CG 4.38Å; P219-W223 HydrophobicContact CB-CZ3 3.76Å; P219-W223 HydrophobicContact CG-CE3 3.54Å; P219-W223 HydrophobicContact CG-CH2 4.49Å; P219-W223 HydrophobicContact CG-CZ3 3.53Å; K220-W223 WeakPolarHBondContact O-CA 3.1Å; K220-W223 WeakPolarHBondContact O-CB 3.29Å; K220-W223 PolarHBondContact O-N 2.79Å; F221-W223 VanDerWaalsContact C-N 3.29Å; F221-W223 PolarHBondContact O-N 3.47Å; W223-V225 VanDerWaalsContact C-N 3.32Å; W223-V225 PolarHBondContact O-N 2.97Å; W223-Q226 CarbonylContact O-C 3.58Å; W223-Q226 WeakPolarHBondContact O-CB 3.41Å; W223-Q226 PolarHBondContact O-N 2.84Å; W223-Q226 VanDerWaalsContact O-N 3.13Å; W223-A227 HydrophobicContact CE3-CB 4.43Å; W223-A227 HydrophobicContact CH2-CB 4.47Å; W223-A227 HydrophobicContact CZ3-CB 4.36Å; W223-A227 WeakPolarHBondContact O-CB 3.07Å; W223-A227 PolarHBondContact O-N 3.37Å |
| 224 | L | 88.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.8 | -172.5 | 65.9 | 0 | 0 | 0 | 112 | K220 F221 Q226 A227 Y228 | K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.13Å; F221-L224 WeakPolarHBondContact O-CB 3.45Å; F221-L224 PolarHBondContact O-N 2.87Å; F221-L224 VanDerWaalsContact O-N 3.11Å; L224-Q226 VanDerWaalsContact C-N 3.35Å; L224-A227 PolarHBondContact O-N 2.95Å; L224-Y228 WeakPolarHBondContact O-CB 3.4Å; L224-Y228 PolarHBondContact O-N 3.39Å |
| 225 | V | 90.2 | Very high | 87.1 | Confident | 46 Ų | 46 | 96 Ų | 96 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 174.1 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | F221 K222 W223 Y228 R229 | F221-V225 HydrophobicContact CD1-CG2 4.07Å; F221-V225 HydrophobicContact CE1-CG2 3.63Å; F221-V225 HydrophobicContact CE2-CG2 4.38Å; F221-V225 HydrophobicContact CZ-CG2 3.81Å; F221-V225 WeakPolarHBondContact O-CG2 3.19Å; F221-V225 PolarHBondContact O-N 3.03Å; K222-V225 PolarHBondContact O-N 2.83Å; W223-V225 VanDerWaalsContact C-N 3.32Å; W223-V225 PolarHBondContact O-N 2.97Å; V225-Y228 PolarHBondContact O-N 3.08Å; V225-R229 WeakPolarHBondContact O-CG 3.41Å; V225-R229 PolarHBondContact O-N 2.5Å |
| 226 | Q | 91.6 | Very high | 87.7 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 175.4 | -175.1 | -172.7 | -20.2 | 0 | 0 | 111.6 | L189 K222 W223 L224 Y228 R229 T230 | L189-Q226 HydrophobicContact CD2-CG 4.29Å; K222-Q226 PolarHBondContact O-N 3.38Å; W223-Q226 CarbonylContact O-C 3.58Å; W223-Q226 WeakPolarHBondContact O-CB 3.41Å; W223-Q226 PolarHBondContact O-N 2.84Å; W223-Q226 VanDerWaalsContact O-N 3.13Å; L224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-Y228 PolarHBondContact O-N 3.46Å; Q226-R229 PolarHBondContact O-N 3.03Å; Q226-T230 PolarHBondContact O-N 2.91Å; Q226-T230 PolarHBondContact O-OG1 3.02Å |
| 227 | A | 92.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 91.8 Ų | 91.8 | 3% | 0.033 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L189 W223 L224 R229 T230 F231 | L189-A227 HydrophobicContact CD1-CB 3.54Å; L189-A227 HydrophobicContact CD2-CB 4.26Å; W223-A227 HydrophobicContact CE3-CB 4.43Å; W223-A227 HydrophobicContact CH2-CB 4.47Å; W223-A227 HydrophobicContact CZ3-CB 4.36Å; W223-A227 WeakPolarHBondContact O-CB 3.07Å; W223-A227 PolarHBondContact O-N 3.37Å; L224-A227 PolarHBondContact O-N 2.95Å; A227-R229 VanDerWaalsContact C-N 3.28Å; A227-R229 PolarHBondContact O-N 3.32Å; A227-T230 WeakPolarHBondContact O-CB 3.33Å; A227-T230 PolarHBondContact O-N 3.43Å; A227-T230 VanDerWaalsContact O-N 3.12Å; A227-F231 HydrophobicContact CB-CE2 4.18Å; A227-F231 WeakPolarHBondContact O-CD2 3.42Å; A227-F231 WeakPolarHBondContact O-CG 3.05Å; A227-F231 PolarHBondContact O-N 3.32Å |
| 228 | Y | 89.1 | Confident | 89.2 | Confident | 146 Ų | 146 | 92 Ų | 92 | 57% | 0.573 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59 | -37.4 | 176.3 | 179.2 | -96.2 | 0 | 0 | 0 | 113.1 | L224 V225 Q226 F231 R236 | L224-Y228 WeakPolarHBondContact O-CB 3.4Å; L224-Y228 PolarHBondContact O-N 3.39Å; V225-Y228 PolarHBondContact O-N 3.08Å; Q226-Y228 PolarHBondContact O-N 3.46Å; Y228-F231 CarbonylContact O-C 3.58Å; Y228-F231 VanDerWaalsContact O-O 3.08Å; Y228-R236 VanDerWaalsContact CE1-NH2 3.27Å; Y228-R236 VanDerWaalsContact CZ-CZ 3.46Å; Y228-R236 PolarHBondContact O-NH2 3.34Å; Y228-R236 PolarHBondContact OH-NH1 3.1Å |
| 229 | R | 90.9 | Very high | 89.8 | Confident | 198 Ų | 198 | 87.7 Ų | 87.7 | 75% | 0.747 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.7 | -36.6 | 175.7 | -72.8 | 177.3 | 178.7 | 170.3 | -0.6 | 112.5 | V225 Q226 A227 F231 | V225-R229 WeakPolarHBondContact O-CG 3.41Å; V225-R229 PolarHBondContact O-N 2.5Å; Q226-R229 PolarHBondContact O-N 3.03Å; A227-R229 VanDerWaalsContact C-N 3.28Å; A227-R229 PolarHBondContact O-N 3.32Å; R229-F231 VanDerWaalsContact C-N 3.32Å |
| 230 | T | 91.8 | Very high | 90.5 | Very high | 60 Ų | 60 | 91.3 Ų | 91.3 | 37% | 0.368 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.1 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | T193 Q226 A227 G232 | T193-T230 HydrophobicContact CG2-CG2 4.27Å; Q226-T230 PolarHBondContact O-N 2.91Å; Q226-T230 PolarHBondContact O-OG1 3.02Å; A227-T230 WeakPolarHBondContact O-CB 3.33Å; A227-T230 PolarHBondContact O-N 3.43Å; A227-T230 VanDerWaalsContact O-N 3.12Å; T230-G232 PolarHBondContact O-N 3.16Å |
| 231 | F | 91.2 | Very high | 90.9 | Very high | 42 Ų | 42 | 85.6 Ų | 85.6 | 18% | 0.184 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -76.8 | 75.5 | 170.7 | -55 | -47.3 | 0 | 0 | 0 | 111.4 | L189 I192 L196 A227 Y228 R229 F235 R236 | L189-F231 HydrophobicContact CD1-CE2 4.2Å; L189-F231 HydrophobicContact CD1-CZ 3.9Å; I192-F231 HydrophobicContact CB-CZ 4.49Å; I192-F231 HydrophobicContact CG2-CE1 4.37Å; I192-F231 HydrophobicContact CG2-CZ 3.68Å; L196-F231 HydrophobicContact CD1-CE1 3.98Å; L196-F231 HydrophobicContact CD1-CZ 4.24Å; A227-F231 HydrophobicContact CB-CE2 4.18Å; A227-F231 WeakPolarHBondContact O-CD2 3.42Å; A227-F231 WeakPolarHBondContact O-CG 3.05Å; A227-F231 PolarHBondContact O-N 3.32Å; Y228-F231 CarbonylContact O-C 3.58Å; Y228-F231 VanDerWaalsContact O-O 3.08Å; R229-F231 VanDerWaalsContact C-N 3.32Å; F231-F235 HydrophobicContact CB-CB 4.25Å; F231-F235 HydrophobicContact CB-CD2 4.3Å; F231-F235 HydrophobicContact CB-CG 4.28Å; F231-F235 AromaticContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD2 4.11Å; F231-F235 HydrophobicContact CD1-CE1 4.08Å; F231-F235 HydrophobicContact CD1-CE2 4.27Å; F231-F235 AromaticContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CZ 4.27Å; F231-F235 HydrophobicContact CE1-CD1 4.5Å; F231-F235 HydrophobicContact CE1-CE1 4.4Å; F231-R236 PolarHBondContact O-NE 2.94Å; F231-R236 PolarHBondContact O-NH2 3.41Å |
| 232 | G | 87 | Confident | 91.3 | Very high | 30 Ų | 30 | 82.6 Ų | 82.6 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | trans | -70.9 | -156 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | T230 N234 | T230-G232 PolarHBondContact O-N 3.16Å; G232-N234 VanDerWaalsContact C-N 3.3Å; G232-N234 PolarHBondContact O-N 2.85Å | ||
| 233 | R | 90.1 | Very high | 91.6 | Very high | 217 Ų | 217 | 79.8 Ų | 79.8 | 82% | 0.819 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.6 | -37.1 | -176.9 | -178.3 | 178 | -77.2 | -166.8 | -3.3 | 113.2 | F235 R236 K237 | R233-F235 PolarHBondContact O-N 3.47Å; R233-R236 PolarHBondContact O-N 3.02Å; R233-K237 PolarHBondContact O-N 3.25Å |
| 234 | N | 89.7 | Confident | 91.8 | Very high | 96 Ų | 96 | 81.3 Ų | 81.3 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | -173.5 | -66.5 | -27.3 | 0 | 0 | 0 | 113.7 | G232 K237 | G232-N234 VanDerWaalsContact C-N 3.3Å; G232-N234 PolarHBondContact O-N 2.85Å; N234-K237 WeakPolarHBondContact O-CG 3.5Å |
| 235 | F | 92.5 | Very high | 92 | Very high | 21 Ų | 21 | 79.4 Ų | 79.4 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.4 | -33.6 | 176.4 | -63.2 | -92 | 0 | 0 | 0 | 111.3 | T193 L196 E197 V200 Y204 F231 R233 | T193-F235 HydrophobicContact CG2-CE1 4.38Å; T193-F235 HydrophobicContact CG2-CZ 3.75Å; L196-F235 HydrophobicContact CB-CD1 3.91Å; L196-F235 HydrophobicContact CB-CE1 3.76Å; L196-F235 HydrophobicContact CD1-CD1 4.49Å; E197-F235 HydrophobicContact CG-CE1 4.13Å; E197-F235 HydrophobicContact CG-CZ 3.82Å; V200-F235 HydrophobicContact CG1-CB 4.33Å; V200-F235 HydrophobicContact CG1-CD1 3.23Å; V200-F235 HydrophobicContact CG1-CE1 3.48Å; V200-F235 VanDerWaalsContact CG1-CE1 3.48Å; V200-F235 HydrophobicContact CG1-CG 3.81Å; V200-F235 HydrophobicContact CG1-CZ 4.24Å; Y204-F235 PolarHBondContact OH-O 3.09Å; F231-F235 HydrophobicContact CB-CB 4.25Å; F231-F235 HydrophobicContact CB-CD2 4.3Å; F231-F235 HydrophobicContact CB-CG 4.28Å; F231-F235 AromaticContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD1 3.9Å; F231-F235 HydrophobicContact CD1-CD2 4.11Å; F231-F235 HydrophobicContact CD1-CE1 4.08Å; F231-F235 HydrophobicContact CD1-CE2 4.27Å; F231-F235 AromaticContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CG 3.93Å; F231-F235 HydrophobicContact CD1-CZ 4.27Å; F231-F235 HydrophobicContact CE1-CD1 4.5Å; F231-F235 HydrophobicContact CE1-CE1 4.4Å; R233-F235 PolarHBondContact O-N 3.47Å |
| 236 | R | 90.5 | Very high | 92 | Very high | 105 Ų | 105 | 83.2 Ų | 83.2 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -84 | -28.4 | -172.8 | -59.7 | 178.1 | -161 | -174.2 | -0.1 | 113.7 | Y228 F231 R233 N238 | Y228-R236 VanDerWaalsContact CE1-NH2 3.27Å; Y228-R236 VanDerWaalsContact CZ-CZ 3.46Å; Y228-R236 PolarHBondContact O-NH2 3.34Å; Y228-R236 PolarHBondContact OH-NH1 3.1Å; F231-R236 PolarHBondContact O-NE 2.94Å; F231-R236 PolarHBondContact O-NH2 3.41Å; R233-R236 PolarHBondContact O-N 3.02Å; R236-N238 VanDerWaalsContact C-N 3.31Å; R236-N238 PolarHBondContact O-N 3.38Å |
| 237 | K | 92.5 | Very high | 91.7 | Very high | 118 Ų | 118 | 82.3 Ų | 82.3 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | -175.6 | 62 | 172.9 | -171.4 | 179.7 | 0 | 113.4 | R233 N234 | R233-K237 PolarHBondContact O-N 3.25Å; N234-K237 WeakPolarHBondContact O-CG 3.5Å |
| 238 | N | 94.3 | Very high | 91.4 | Very high | 27 Ų | 27 | 85.2 Ų | 85.2 | 14% | 0.144 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -108.5 | -2.8 | -173 | -68.1 | -12.2 | 0 | 0 | 0 | 113.2 | V200 S201 I202 Y204 R236 K240 | V200-N238 PolarHBondContact O-ND2 2.91Å; S201-N238 VanDerWaalsContact C-ND2 3.3Å; S201-N238 PolarHBondContact O-ND2 2.85Å; S201-N238 VanDerWaalsContact O-ND2 3.13Å; I202-N238 WeakPolarHBondContact O-CB 3.26Å; Y204-N238 HydrophobicContact CD1-CB 4.27Å; Y204-N238 HydrophobicContact CE1-CB 4.28Å; Y204-N238 PolarHBondContact N-O 2.89Å; R236-N238 VanDerWaalsContact C-N 3.31Å; R236-N238 PolarHBondContact O-N 3.38Å; N238-K240 PolarHBondContact O-N 3.02Å; N238-K240 VanDerWaalsContact O-N 3.12Å |
| 239 | L | 94.9 | Very high | 91.2 | Very high | 48 Ų | 48 | 83.2 Ų | 83.2 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 100.1 | 169.7 | 178.1 | 64.6 | 0 | 0 | 0 | 109.2 | Y204 L206 L242 | Y204-L239 HydrophobicContact CD2-CD1 3.83Å; Y204-L239 HydrophobicContact CE1-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CB 4.17Å; Y204-L239 HydrophobicContact CE2-CD1 3.54Å; Y204-L239 HydrophobicContact CE2-CG 4.39Å; L206-L239 HydrophobicContact CB-CD1 3.64Å; L239-L242 HydrophobicContact CD2-CB 4.5Å |
| 240 | K | 94.5 | Very high | 90.8 | Very high | 98 Ų | 98 | 76 Ų | 76 | 43% | 0.426 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -41.1 | -177 | -62.9 | -57.2 | -176.1 | -164.3 | 0 | 113.2 | D203 Y204 N238 | D203-K240 HydrophobicContact CB-CG 4.18Å; D203-K240 VanDerWaalsContact CG-NZ 3.29Å; D203-K240 WeakPolarHBondContact OD1-CE 3.33Å; D203-K240 IonicContact OD1-NZ 3.53Å; D203-K240 PolarHBondContact OD1-NZ 3.06Å; D203-K240 WeakPolarHBondContact OD2-CE 3.43Å; D203-K240 IonicContact OD2-NZ 2.69Å; D203-K240 PolarHBondContact OD2-NZ 2.87Å; D203-K240 VanDerWaalsContact OD2-NZ 3.11Å; Y204-K240 PolarHBondContact O-N 3.11Å; N238-K240 PolarHBondContact O-N 3.02Å; N238-K240 VanDerWaalsContact O-N 3.12Å |
| 241 | T | 93.9 | Very high | 90.5 | Very high | 40 Ų | 40 | 74.6 Ų | 74.6 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 133.5 | -179 | -46.1 | 0 | 0 | 0 | 0 | 110.6 | V205 L206 Y243 | V205-T241 WeakPolarHBondContact CA-O 3.5Å; L206-T241 PolarHBondContact N-O 2.76Å; T241-Y243 HydrophobicContact CG2-CD1 4.09Å; T241-Y243 HydrophobicContact CG2-CD2 3.87Å; T241-Y243 HydrophobicContact CG2-CE1 3.69Å; T241-Y243 HydrophobicContact CG2-CE2 3.45Å; T241-Y243 VanDerWaalsContact CG2-CE2 3.45Å; T241-Y243 HydrophobicContact CG2-CG 4.17Å |
| 242 | L | 94 | Very high | 90.3 | Very high | 87 Ų | 87 | 78.3 Ų | 78.3 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 106.7 | 166.8 | 174.6 | 61.2 | 0 | 0 | 0 | 108.5 | L206 L239 I244 | L206-L242 HydrophobicContact CB-CD1 3.86Å; L206-L242 HydrophobicContact CD2-CD1 3.86Å; L206-L242 HydrophobicContact CG-CD1 3.82Å; L206-L242 CarbonylContact O-C 3.58Å; L206-L242 WeakPolarHBondContact O-CA 3.33Å; L239-L242 HydrophobicContact CD2-CB 4.5Å; L242-I244 HydrophobicContact CG-CG1 4.38Å |
| 243 | Y | 94.6 | Very high | 90.2 | Very high | 113 Ų | 113 | 82 Ų | 82 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.2 | 173.3 | -66.9 | -72.9 | 0 | 0 | 0 | 109.6 | V205 L206 I207 Y208 T241 | V205-Y243 HydrophobicContact CG1-CD2 3.58Å; V205-Y243 HydrophobicContact CG1-CE2 3.6Å; L206-Y243 PolarHBondContact O-N 2.99Å; I207-Y243 CarbonylContact C-O 3.53Å; I207-Y243 WeakPolarHBondContact CA-O 3.32Å; I207-Y243 HydrophobicContact CG1-CD2 4.21Å; Y208-Y243 PolarHBondContact N-O 3.2Å; T241-Y243 HydrophobicContact CG2-CD1 4.09Å; T241-Y243 HydrophobicContact CG2-CD2 3.87Å; T241-Y243 HydrophobicContact CG2-CE1 3.69Å; T241-Y243 HydrophobicContact CG2-CE2 3.45Å; T241-Y243 VanDerWaalsContact CG2-CE2 3.45Å; T241-Y243 HydrophobicContact CG2-CG 4.17Å |
| 244 | I | 93.6 | Very high | 89.9 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 111.3 | 171.5 | -61.3 | 174.1 | 0 | 0 | 0 | 108 | Y208 L242 P247 I251 | Y208-I244 HydrophobicContact CD1-CG1 4.3Å; Y208-I244 HydrophobicContact CD1-CG2 4.02Å; L242-I244 HydrophobicContact CG-CG1 4.38Å; I244-P247 HydrophobicContact CG2-CB 3.93Å; I244-I251 HydrophobicContact CD1-CG2 4.22Å; I244-I251 HydrophobicContact CG2-CG2 4.41Å |
| 245 | V | 93.4 | Very high | 89.7 | Confident | 43 Ų | 43 | 78 Ų | 78 | 26% | 0.261 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129 | 179.3 | -170.8 | 0 | 0 | 0 | 0 | 109 | I207 Y208 F209 H210 | I207-V245 HydrophobicContact CG2-CG2 3.65Å; Y208-V245 PolarHBondContact O-N 2.78Å; F209-V245 HydrophobicContact CD1-CB 3.61Å; F209-V245 HydrophobicContact CD1-CG1 3.7Å; F209-V245 HydrophobicContact CD1-CG2 4.1Å; F209-V245 HydrophobicContact CE1-CB 3.83Å; F209-V245 HydrophobicContact CE1-CG1 3.68Å; F209-V245 HydrophobicContact CE1-CG2 3.89Å; F209-V245 HydrophobicContact CG-CB 4.32Å; F209-V245 HydrophobicContact CZ-CG2 4.3Å; H210-V245 PolarHBondContact N-O 2.8Å; H210-V245 VanDerWaalsContact N-O 3.07Å |
| 246 | H | 89.6 | Confident | 89.3 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 54.8 | 60.7 | -173.7 | -59.2 | -65 | 0 | 0 | 0 | 114.4 | F211 T248 | F211-H246 HydrophobicContact CB-CB 4.44Å; H246-T248 PolarHBondContact O-N 2.92Å |
| 247 | P | 86.6 | Confident | 88.8 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 33% | 0.325 | 42% | 0.423 | S | S | . | . | trans | -62.6 | 127 | 175.1 | 27.2 | -33.7 | 0 | 0 | 0 | 110.7 | I244 I251 K252 | I244-P247 HydrophobicContact CG2-CB 3.93Å; P247-I251 HydrophobicContact CB-CB 4.29Å; P247-I251 HydrophobicContact CB-CG2 4Å; P247-K252 HydrophobicContact CB-CG 4.22Å; P247-K252 HydrophobicContact CG-CG 4.48Å; P247-K252 WeakPolarHBondContact O-CE 3.29Å | ||
| 248 | T | 85.8 | Confident | 88.1 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 40% | 0.399 | 42% | 0.419 | S | S | . | . | trans | -70.8 | 163.5 | 170.4 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | H210 H246 G250 I251 K252 | H210-T248 WeakPolarHBondContact CD2-CG2 3.48Å; H210-T248 PolarHBondContact CD2-OG1 2.81Å; H210-T248 VanDerWaalsContact CD2-OG1 3.27Å; H210-T248 VanDerWaalsContact NE2-CG2 3.29Å; H210-T248 WeakPolarHBondContact NE2-CG2 2.97Å; H210-T248 PolarHBondContact NE2-OG1 2.87Å; H246-T248 PolarHBondContact O-N 2.92Å; T248-G250 PolarHBondContact O-N 3.27Å; T248-I251 PolarHBondContact O-N 3.03Å; T248-K252 WeakPolarHBondContact O-CG 3.41Å; T248-K252 PolarHBondContact O-N 3.07Å | ||
| 249 | T | 84 | Confident | 87.3 | Confident | 104 Ų | 104 | 89 Ų | 89 | 64% | 0.638 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -52.3 | -38.3 | 174.7 | -47.9 | 0 | 0 | 0 | 0 | 111.9 | I251 K252 I253 | T249-I251 PolarHBondContact O-N 3.01Å; T249-K252 PolarHBondContact O-N 3.45Å; T249-I253 HydrophobicContact CG2-CD1 4.03Å; T249-I253 VanDerWaalsContact O-CG1 3.29Å; T249-I253 WeakPolarHBondContact O-CG1 2.98Å; T249-I253 PolarHBondContact O-N 2.81Å |
| 250 | G | 82.9 | Confident | 86.6 | Confident | 46 Ų | 46 | 91.5 Ų | 91.5 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T248 I253 L254 | T248-G250 PolarHBondContact O-N 3.27Å; G250-I253 PolarHBondContact O-N 3.49Å; G250-L254 WeakPolarHBondContact O-CB 3.19Å; G250-L254 PolarHBondContact O-N 3.49Å |
| 251 | I | 84.6 | Confident | 85.5 | Confident | 30 Ų | 30 | 94.6 Ų | 94.6 | 15% | 0.154 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 176 | -68.6 | -178.1 | 0 | 0 | 0 | 111.3 | Y208 H210 I244 P247 T248 T249 I253 L254 W255 | Y208-I251 HydrophobicContact CE1-CD1 4.03Å; H210-I251 HydrophobicContact CB-CD1 4.06Å; H210-I251 VanDerWaalsContact CD2-CD1 3.5Å; H210-I251 WeakPolarHBondContact CD2-CD1 3.28Å; H210-I251 VanDerWaalsContact CE1-CD1 3.42Å; H210-I251 WeakPolarHBondContact CE1-CD1 3.33Å; H210-I251 VanDerWaalsContact ND1-CD1 3.33Å; H210-I251 WeakPolarHBondContact ND1-CD1 3.49Å; I244-I251 HydrophobicContact CD1-CG2 4.22Å; I244-I251 HydrophobicContact CG2-CG2 4.41Å; P247-I251 HydrophobicContact CB-CB 4.29Å; P247-I251 HydrophobicContact CB-CG2 4Å; T248-I251 PolarHBondContact O-N 3.03Å; T249-I251 PolarHBondContact O-N 3.01Å; I251-I253 VanDerWaalsContact C-N 3.35Å; I251-I253 PolarHBondContact O-N 3.18Å; I251-L254 WeakPolarHBondContact O-CB 3.3Å; I251-L254 PolarHBondContact O-N 2.97Å; I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.96Å |
| 252 | K | 87 | Confident | 84.3 | Confident | 120 Ų | 120 | 97.9 Ų | 97.9 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 177.9 | -66.9 | 177.6 | -178 | 178.4 | 0 | 111.8 | P247 T248 T249 T256 | P247-K252 HydrophobicContact CB-CG 4.22Å; P247-K252 HydrophobicContact CG-CG 4.48Å; P247-K252 WeakPolarHBondContact O-CE 3.29Å; T248-K252 WeakPolarHBondContact O-CG 3.41Å; T248-K252 PolarHBondContact O-N 3.07Å; T249-K252 PolarHBondContact O-N 3.45Å; K252-T256 PolarHBondContact O-N 2.8Å; K252-T256 PolarHBondContact O-OG1 3.45Å |
| 253 | I | 85.9 | Confident | 82.2 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 174.8 | -66.6 | 163.6 | 0 | 0 | 0 | 109.9 | T249 G250 I251 W255 T256 L257 | T249-I253 HydrophobicContact CG2-CD1 4.03Å; T249-I253 VanDerWaalsContact O-CG1 3.29Å; T249-I253 WeakPolarHBondContact O-CG1 2.98Å; T249-I253 PolarHBondContact O-N 2.81Å; G250-I253 PolarHBondContact O-N 3.49Å; I251-I253 VanDerWaalsContact C-N 3.35Å; I251-I253 PolarHBondContact O-N 3.18Å; I253-W255 PolarHBondContact O-N 2.98Å; I253-T256 WeakPolarHBondContact O-CB 3.29Å; I253-T256 PolarHBondContact O-N 3.26Å; I253-L257 PolarHBondContact O-N 2.73Å |
| 254 | L | 83.9 | Confident | 81.6 | Confident | 78 Ų | 78 | 108 Ų | 108 | 41% | 0.408 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 179.8 | -168.2 | 64.3 | 0 | 0 | 0 | 112.1 | G250 I251 T256 L257 F258 | G250-L254 WeakPolarHBondContact O-CB 3.19Å; G250-L254 PolarHBondContact O-N 3.49Å; I251-L254 WeakPolarHBondContact O-CB 3.3Å; I251-L254 PolarHBondContact O-N 2.97Å; L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.19Å; L254-L257 PolarHBondContact O-N 3.26Å; L254-F258 HydrophobicContact CD1-CD2 3.77Å; L254-F258 HydrophobicContact CD1-CE2 3.19Å; L254-F258 HydrophobicContact CD1-CZ 3.99Å; L254-F258 HydrophobicContact CD2-CD2 4.48Å; L254-F258 HydrophobicContact CD2-CE2 4.02Å; L254-F258 HydrophobicContact CG-CD2 3.62Å; L254-F258 HydrophobicContact CG-CE2 3.4Å; L254-F258 VanDerWaalsContact CG-CE2 3.4Å; L254-F258 WeakPolarHBondContact O-CD2 3.29Å; L254-F258 PolarHBondContact O-N 2.74Å |
| 255 | W | 84.4 | Confident | 80.9 | Confident | 149 Ų | 149 | 110.6 Ų | 110.6 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | 176 | -173.9 | -102.7 | 0 | 0 | 0 | 112.1 | I251 I253 L257 F258 R259 I262 | I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.96Å; I253-W255 PolarHBondContact O-N 2.98Å; W255-L257 VanDerWaalsContact C-N 3.31Å; W255-L257 PolarHBondContact O-N 2.89Å; W255-F258 PolarHBondContact O-N 2.86Å; W255-R259 PolarHBondContact O-N 3.19Å; W255-I262 HydrophobicContact CH2-CD1 4.26Å; W255-I262 HydrophobicContact CZ3-CD1 4.1Å |
| 256 | T | 84.7 | Confident | 80.2 | Confident | 101 Ų | 101 | 114.3 Ų | 114.3 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.8 | -38.9 | 177 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | K252 I253 L254 | K252-T256 PolarHBondContact O-N 2.8Å; K252-T256 PolarHBondContact O-OG1 3.45Å; I253-T256 WeakPolarHBondContact O-CB 3.29Å; I253-T256 PolarHBondContact O-N 3.26Å; L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.19Å |
| 257 | L | 79.5 | Confident | 79.7 | Confident | 114 Ų | 114 | 113.6 Ų | 113.6 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.6 | -33.7 | 177.6 | -172.9 | 65.3 | 0 | 0 | 0 | 113 | I253 L254 W255 P260 | I253-L257 PolarHBondContact O-N 2.73Å; L254-L257 PolarHBondContact O-N 3.26Å; W255-L257 VanDerWaalsContact C-N 3.31Å; W255-L257 PolarHBondContact O-N 2.89Å; L257-P260 VanDerWaalsContact O-CD 3.28Å; L257-P260 WeakPolarHBondContact O-CD 3.45Å; L257-P260 WeakPolarHBondContact O-CG 3.33Å |
| 258 | F | 78.1 | Confident | 79.3 | Confident | 97 Ų | 97 | 117.6 Ų | 117.6 | 43% | 0.425 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -86.4 | -17.2 | 179.1 | -75.4 | -55.6 | 0 | 0 | 0 | 114.9 | L254 W255 P260 F261 I262 | L254-F258 HydrophobicContact CD1-CD2 3.77Å; L254-F258 HydrophobicContact CD1-CE2 3.19Å; L254-F258 HydrophobicContact CD1-CZ 3.99Å; L254-F258 HydrophobicContact CD2-CD2 4.48Å; L254-F258 HydrophobicContact CD2-CE2 4.02Å; L254-F258 HydrophobicContact CG-CD2 3.62Å; L254-F258 HydrophobicContact CG-CE2 3.4Å; L254-F258 VanDerWaalsContact CG-CE2 3.4Å; L254-F258 WeakPolarHBondContact O-CD2 3.29Å; L254-F258 PolarHBondContact O-N 2.74Å; W255-F258 PolarHBondContact O-N 2.86Å; F258-P260 VanDerWaalsContact C-CD 3.41Å; F258-P260 VanDerWaalsContact C-N 3.28Å; F258-F261 HydrophobicContact CD1-CD2 4.31Å; F258-F261 WeakPolarHBondContact O-CA 3.41Å; F258-F261 PolarHBondContact O-N 3.31Å; F258-I262 HydrophobicContact CB-CD1 4.28Å; F258-I262 PolarHBondContact O-N 3.19Å; F258-I262 VanDerWaalsContact O-N 3.17Å |
| 259 | R | 77.9 | Confident | 78.8 | Confident | 192 Ų | 192 | 121.1 Ų | 121.1 | 73% | 0.725 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.2 | -42.1 | 174.9 | -166.7 | 176.1 | -177.8 | 178.5 | 0.4 | 114.3 | W255 F261 | W255-R259 PolarHBondContact O-N 3.19Å; R259-F261 VanDerWaalsContact C-N 3.31Å; R259-F261 PolarHBondContact O-N 3.48Å |
| 260 | P | 79 | Confident | 78.4 | Confident | 99 Ų | 99 | 122.3 Ų | 122.3 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -17.6 | 175.7 | 26.9 | -36.6 | 0 | 0 | 0 | 115.2 | L257 F258 | L257-P260 VanDerWaalsContact O-CD 3.28Å; L257-P260 WeakPolarHBondContact O-CD 3.45Å; L257-P260 WeakPolarHBondContact O-CG 3.33Å; F258-P260 VanDerWaalsContact C-CD 3.41Å; F258-P260 VanDerWaalsContact C-N 3.28Å |
| 261 | F | 72.9 | Confident | 78.1 | Confident | 164 Ų | 164 | 128.2 Ų | 128.2 | 72% | 0.719 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -18.9 | 179.8 | -68.3 | -82.1 | 0 | 0 | 0 | 113.2 | F258 R259 R263 | F258-F261 HydrophobicContact CD1-CD2 4.31Å; F258-F261 WeakPolarHBondContact O-CA 3.41Å; F258-F261 PolarHBondContact O-N 3.31Å; R259-F261 VanDerWaalsContact C-N 3.31Å; R259-F261 PolarHBondContact O-N 3.48Å; F261-R263 PolarHBondContact O-N 3.28Å |
| 262 | I | 67.4 | Low | 77.6 | Confident | 108 Ų | 108 | 136.3 Ų | 136.3 | 55% | 0.554 | 62% | 0.624 | S | S | * | * | trans | -94.4 | 82 | 175 | -54.3 | 165.3 | 0 | 0 | 0 | 106.4 | W255 F258 | W255-I262 HydrophobicContact CH2-CD1 4.26Å; W255-I262 HydrophobicContact CZ3-CD1 4.1Å; F258-I262 HydrophobicContact CB-CD1 4.28Å; F258-I262 PolarHBondContact O-N 3.19Å; F258-I262 VanDerWaalsContact O-N 3.17Å | ||
| 263 | R | 50 | Low | 76.7 | Confident | 305 Ų | 305 | 137.8 Ų | 137.8 | 100% | 1.151 | 63% | 0.633 | S | S | * | * | trans | -92.1 | 0 | 170.3 | -175.4 | 177.5 | 177.2 | 118.7 | 0.5 | 110.4 | F261 | F261-R263 PolarHBondContact O-N 3.28Š|
Retrieved 263 of 263 residues in 319.7 ms
(Link to these results)