| 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 | 31.6 | Very low | 29.7 | Very low | 219 Ų | 219 | 163.5 Ų | 163.5 | 100% | 1.079 | 79% | 0.793 | S | S | * | * | 0 | 81.1 | 0 | -69.3 | 175.3 | 145.6 | 0 | 0 | 106.9 | |||||
| 2 | E | 29.3 | Very low | 29.4 | Very low | 166 Ų | 166 | 161.8 Ų | 161.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | 73.3 | 116.9 | 65.6 | -65.1 | 166.4 | 120.7 | 0 | 0 | 112.4 | |||||
| 3 | T | 32.2 | Very low | 29.1 | Very low | 131 Ų | 131 | 158.5 Ų | 158.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 169.9 | 116.7 | 116.9 | 32.7 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 4 | D | 31.6 | Very low | 29.1 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | 81.2 | 141.3 | 68.9 | -98.7 | -28.6 | 0 | 0 | 0 | 115.4 | |||||
| 5 | G | 30.9 | Very low | 28.9 | Very low | 70 Ų | 70 | 155.2 Ų | 155.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 122.9 | 77 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 6 | F | 29.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 75% | 0.746 | 78% | 0.782 | S | S | * | * | cis | 96.1 | 156.7 | 47.4 | -148.6 | -90.3 | 0 | 0 | 0 | 113.7 | ||||
| 7 | V | 31.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | 80.1 | 110.8 | -176.9 | -167.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 8 | R | 29.1 | Very low | 28.6 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 68% | 0.683 | 79% | 0.787 | S | S | * | * | cis | 95.3 | 100 | 9.8 | -158.1 | -166.2 | -164.4 | -163.5 | 9.3 | 118.1 | ||||
| 9 | K | 28.7 | Very low | 28.5 | Very low | 207 Ų | 207 | 142.8 Ų | 142.8 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | trans | 176.1 | 127 | 142.3 | -102.1 | 173.1 | 179.4 | -178.7 | 0 | 108.2 | ||||
| 10 | R | 27.3 | Very low | 28.4 | Very low | 181 Ų | 181 | 144 Ų | 144 | 68% | 0.683 | 79% | 0.792 | S | S | * | * | cis | 107.4 | 109.5 | 6.1 | -158 | -167.6 | -155.5 | -160.2 | 8.6 | 115.9 | ||||
| 11 | R | 26.1 | Very low | 28.3 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 70% | 0.698 | 79% | 0.794 | S | S | * | * | trans | 68.2 | 159.2 | 156 | -84.7 | 177.9 | 171.4 | -171.9 | -3.1 | 117.5 | ||||
| 12 | M | 25.8 | Very low | 28.1 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 70% | 0.7 | 77% | 0.774 | S | S | * | * | cis | -150.8 | 127.5 | 14.2 | -125.2 | 138 | 145.6 | 0 | 0 | 109 | ||||
| 13 | T | 25.9 | Very low | 27.9 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | 68.6 | 144.3 | 98.4 | 65.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 14 | A | 28.1 | Very low | 27.4 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 101.5 | 134 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 15 | E | 27 | Very low | 27 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | cis | -157.2 | 165.4 | -11.5 | -124.5 | 169.6 | 168.9 | 0 | 0 | 111.2 | ||||
| 16 | T | 27.5 | Very low | 26.6 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -24.9 | 160.5 | 164.4 | 35.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 17 | A | 26.4 | Very low | 26.3 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | cis | -166.1 | 168.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 18 | G | 26.8 | Very low | 25.9 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | cis | 172.1 | 175 | 0.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 19 | G | 26.2 | Very low | 25.5 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 125.6 | 83.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 20 | D | 27.1 | Very low | 25.3 | Very low | 166 Ų | 166 | 114.9 Ų | 114.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -57 | 168.5 | 166.2 | -61.2 | -70.1 | 0 | 0 | 0 | 112.4 | ||||
| 21 | A | 26.6 | Very low | 25.1 | Very low | 100 Ų | 100 | 113.1 Ų | 113.1 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | cis | -157.6 | 165.4 | 23.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 22 | G | 26.6 | Very low | 25 | Very low | 64 Ų | 64 | 111.1 Ų | 111.1 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 96.4 | 70.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | V | 24.7 | Very low | 24.9 | Very low | 138 Ų | 138 | 113.7 Ų | 113.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | 57.5 | 89.3 | 93.6 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 24 | A | 23.6 | Very low | 24.8 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | 57.4 | 132.7 | 86.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 25 | G | 22.6 | Very low | 24.7 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | cis | -176.9 | 134.9 | 3.6 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 26 | A | 22.8 | Very low | 24.7 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | 67.7 | 126.3 | 81.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 27 | S | 22.3 | Very low | 25 | Very low | 125 Ų | 125 | 115.8 Ų | 115.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 69.3 | 154.8 | 174.7 | 82.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 28 | A | 22.7 | Very low | 24.9 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | cis | -172.9 | 172 | -26.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 29 | G | 20.8 | Very low | 24.8 | Very low | 82 Ų | 82 | 128.9 Ų | 128.9 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 98.5 | 142.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 30 | A | 23.9 | Very low | 24.9 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -93.4 | 163.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | E | 22.8 | Very low | 24.6 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 67% | 0.668 | 81% | 0.813 | S | S | * | * | trans | -156.7 | 133.4 | 134.7 | -120.7 | -169.9 | -174.9 | 0 | 0 | 111.2 | R33 | E31-R33 IonicContact OE1-NH1 3.57Å; E31-R33 IonicContact OE2-CZ 3.64Å; E31-R33 IonicContact OE2-NE 3.9Å; E31-R33 IonicContact OE2-NH1 2.8Å; E31-R33 PolarHBondContact OE2-NH1 2.93Å | ||
| 32 | V | 24.6 | Very low | 24.7 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | trans | -97.4 | 123.8 | 163.3 | 172.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 33 | R | 23.7 | Very low | 24.6 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 74% | 0.74 | 82% | 0.823 | S | S | * | * | trans | -130.8 | 126.9 | 174.7 | -111.5 | 175.8 | 166.6 | 143.3 | -7.7 | 112.3 | E31 | E31-R33 IonicContact OE1-NH1 3.57Å; E31-R33 IonicContact OE2-CZ 3.64Å; E31-R33 IonicContact OE2-NE 3.9Å; E31-R33 IonicContact OE2-NH1 2.8Å; E31-R33 PolarHBondContact OE2-NH1 2.93Å | ||
| 34 | W | 23.5 | Very low | 24.6 | Very low | 240 Ų | 240 | 138.3 Ų | 138.3 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -113 | 115.7 | -175.9 | -170.3 | 96.4 | 0 | 0 | 0 | 108.3 | ||||
| 35 | L | 25.8 | Very low | 24.6 | Very low | 164 Ų | 164 | 139 Ų | 139 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -165.5 | 137.4 | 177.1 | -113 | 153.1 | 0 | 0 | 0 | 111.9 | ||||
| 36 | G | 27 | Very low | 24.6 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | 86.1 | 88 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R38 | G36-R38 PolarHBondContact O-N 3.16Š| ||
| 37 | G | 34 | Very low | 24.6 | Very low | 86 Ų | 86 | 146.1 Ų | 146.1 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -69.2 | 110.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 38 | R | 25.2 | Very low | 24.6 | Very low | 244 Ų | 244 | 145.8 Ų | 145.8 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -164.6 | 123.1 | 151.6 | -108.7 | 172.1 | 180 | -165.9 | -1 | 108.9 | G36 | G36-R38 PolarHBondContact O-N 3.16Š| ||
| 39 | F | 24.1 | Very low | 24.5 | Very low | 210 Ų | 210 | 146.1 Ų | 146.1 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -98.1 | 127.2 | 176.1 | -148.3 | -92.5 | 0 | 0 | 0 | 109.1 | ||||
| 40 | W | 27.9 | Very low | 24.6 | Very low | 244 Ų | 244 | 149.6 Ų | 149.6 | 92% | 0.924 | 82% | 0.824 | S | S | * | * | trans | -145.9 | 138.3 | 176.3 | -117.3 | 71 | 0 | 0 | 0 | 109.6 | ||||
| 41 | G | 22.6 | Very low | 24.6 | Very low | 66 Ų | 66 | 151.2 Ų | 151.2 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | trans | 81.9 | 109.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 42 | V | 27.8 | Very low | 25.2 | Very low | 148 Ų | 148 | 149.6 Ų | 149.6 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -50.4 | 140.9 | 162 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 43 | S | 23.4 | Very low | 25.1 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -138.1 | 134.5 | 151.3 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 44 | E | 26.1 | Very low | 25.2 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | -68.4 | 150.3 | 166.9 | -57.4 | 174.5 | 134.5 | 0 | 0 | 109.9 | ||||
| 45 | S | 22.6 | Very low | 25.1 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | 148.1 | 94.4 | 146.3 | -71 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 46 | I | 23.6 | Very low | 24.9 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | trans | -134.9 | 88.7 | 139 | -59.8 | -173.7 | 0 | 0 | 0 | 106.7 | ||||
| 47 | V | 22.7 | Very low | 24.8 | Very low | 134 Ų | 134 | 147 Ų | 147 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | trans | -125.1 | 126.2 | 169.1 | 170.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 48 | S | 21.9 | Very low | 24.2 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 63.5 | 105.5 | 160.7 | -157.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 49 | S | 21.4 | Very low | 24 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -173.2 | 129.3 | 150.5 | 142.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 50 | L | 22.4 | Very low | 23.8 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | cis | -161.5 | 144.8 | 3 | -100.6 | 160.2 | 0 | 0 | 0 | 110.2 | ||||
| 51 | T | 23.5 | Very low | 23.5 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 165.2 | 155.2 | 23 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 52 | P | 35.2 | Very low | 23.4 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | cis | -130.4 | -172.1 | -2.9 | 40 | -23.1 | 0 | 0 | 0 | 113.6 | ||||
| 53 | R | 22.1 | Very low | 23.1 | Very low | 250 Ų | 250 | 138.1 Ų | 138.1 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | -155.2 | 139.8 | 148.4 | -118.9 | 177.4 | -177.8 | -179.5 | 0.8 | 112.1 | ||||
| 54 | I | 26.6 | Very low | 23 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -134.6 | 151.8 | -174.4 | -71.4 | 174 | 0 | 0 | 0 | 110.1 | ||||
| 55 | G | 21.1 | Very low | 22.7 | Very low | 77 Ų | 77 | 136.7 Ų | 136.7 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 127.5 | 130.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 56 | G | 21.9 | Very low | 22.5 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | -158.7 | -166.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 57 | E | 23.8 | Very low | 22.4 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | cis | -161 | 176.8 | -1.2 | -142.8 | -152.2 | 85.8 | 0 | 0 | 112.7 | ||||
| 58 | S | 21.7 | Very low | 22.3 | Very low | 90 Ų | 90 | 138 Ų | 138 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | 6.6 | 125.6 | 166.4 | 52.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 59 | Q | 20.7 | Very low | 22.3 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | -157.6 | 139.4 | 109.5 | -111.7 | -165.5 | 1.4 | 0 | 0 | 115.2 | |||||
| 60 | L | 21.7 | Very low | 22.2 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 61.7 | 93.9 | 159.6 | -92.2 | 71.5 | 0 | 0 | 0 | 123 | ||||
| 61 | Q | 19.9 | Very low | 22.5 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | 61.7 | 96.5 | 117.6 | -72.2 | 177.9 | -43.9 | 0 | 0 | 121.4 | |||||
| 62 | S | 22.1 | Very low | 22.3 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -81.2 | -173.2 | 145.8 | 51 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 63 | V | 21.2 | Very low | 21.6 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | 91.8 | 121 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 64 | D | 19.9 | Very low | 21.7 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | cis | -157.3 | 158.1 | 22.6 | -126.2 | -11 | 0 | 0 | 0 | 116.4 | ||||
| 65 | V | 19.9 | Very low | 21.5 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | trans | 58.4 | 115.5 | 140.8 | 170.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 66 | V | 19.6 | Very low | 21.5 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | -174.9 | 144.9 | 104 | 160.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 67 | C | 21.6 | Very low | 21.6 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 136.9 | 170.8 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 68 | E | 19.3 | Very low | 21.7 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -162.7 | 151.2 | 137 | -118.7 | 168.8 | -178.2 | 0 | 0 | 111.3 | ||||
| 69 | A | 23.5 | Very low | 22 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -109.5 | 122.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 70 | Q | 19.3 | Very low | 22.9 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -156.1 | 146 | 157.7 | -158.1 | 80 | 11.7 | 0 | 0 | 110.1 | ||||
| 71 | E | 27.1 | Very low | 23.6 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -66.2 | 134.2 | -171.4 | -55 | 143.5 | 127.3 | 0 | 0 | 114.4 | ||||
| 72 | A | 20.8 | Very low | 24.6 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | -164.4 | 119.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 73 | Q | 20.9 | Very low | 26 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 91% | 0.911 | 73% | 0.726 | S | S | * | * | trans | 49.2 | 110.8 | 143.6 | -61.9 | 178.1 | -15.3 | 0 | 0 | 120.8 | ||||
| 74 | G | 24 | Very low | 27.4 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | 87.4 | 96.2 | 130 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 75 | E | 21.1 | Very low | 28.7 | Very low | 192 Ų | 192 | 119.3 Ų | 119.3 | 90% | 0.897 | 67% | 0.673 | S | S | * | * | trans | -141.5 | 130.2 | 152.2 | -110 | 175.3 | 171.7 | 0 | 0 | 109.6 | S77 | E75-S77 PolarHBondContact O-N 3.18Š| ||
| 76 | D | 22.3 | Very low | 29.9 | Very low | 174 Ų | 174 | 121.5 Ų | 121.5 | 93% | 0.93 | 68% | 0.676 | S | S | * | * | trans | -73.6 | 115.4 | -163.8 | -73.9 | -60.5 | 0 | 0 | 0 | 112.9 | E78 | D76-E78 PolarHBondContact O-N 2.98Š| ||
| 77 | S | 22.9 | Very low | 31.4 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -79.7 | 115.6 | 165.7 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | E75 | E75-S77 PolarHBondContact O-N 3.18Š| ||
| 78 | E | 25.8 | Very low | 33.2 | Very low | 182 Ų | 182 | 114.2 Ų | 114.2 | 85% | 0.85 | 65% | 0.645 | S | S | * | * | trans | -42.3 | 121.2 | 172.4 | -87.2 | -87.2 | 123.9 | 0 | 0 | 110.9 | D76 D80 | D76-E78 PolarHBondContact O-N 2.98Å; E78-D80 PolarHBondContact O-N 2.96Å | ||
| 79 | P | 27.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 107.9 Ų | 107.9 | 69% | 0.688 | 62% | 0.622 | S | S | * | * | trans | -71.8 | 115.9 | -171.4 | 26.1 | -33.3 | 0 | 0 | 0 | 111.7 | Y81 | P79-Y81 PolarHBondContact O-N 3.07Š| ||
| 80 | D | 39.4 | Very low | 38 | Very low | 68 Ų | 68 | 106 Ų | 106 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | trans | -49.9 | 99.9 | 176.2 | -171.4 | 4.6 | 0 | 0 | 0 | 110.8 | E78 E82 G83 K174 | E78-D80 PolarHBondContact O-N 2.96Å; D80-E82 PolarHBondContact O-N 3.25Å; D80-E82 VanDerWaalsContact O-N 3.15Å; D80-G83 PolarHBondContact O-N 2.7Å; D80-K174 IonicContact OD2-NZ 3.92Å; D80-K174 PolarHBondContact OD2-NZ 3.02Å | ||
| 81 | Y | 36.3 | Very low | 40.6 | Very low | 83 Ų | 83 | 101.2 Ų | 101.2 | 33% | 0.325 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -29.4 | -167.5 | 174 | -102.9 | 0 | 0 | 0 | 113.2 | P79 Y278 W367 Y370 | P79-Y81 PolarHBondContact O-N 3.07Å; Y81-Y278 HydrophobicContact CD2-CE2 4.1Å; Y81-Y278 AromaticContact CE2-CE2 3.83Å; Y81-Y278 HydrophobicContact CE2-CE2 3.83Å; Y81-W367 PolarHBondContact OH-NE1 3.08Å; Y81-Y370 PolarHBondContact O-OH 2.8Å |
| 82 | E | 42.3 | Very low | 42.9 | Very low | 137 Ų | 137 | 95 Ų | 95 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -7.2 | -179.6 | -57.8 | -170.8 | 159.9 | 0 | 0 | 113.3 | D80 | D80-E82 PolarHBondContact O-N 3.25Å; D80-E82 VanDerWaalsContact O-N 3.15Å |
| 83 | G | 50.4 | Low | 45.3 | Very low | 23 Ų | 23 | 92.3 Ų | 92.3 | 24% | 0.237 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -92.8 | 140.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D80 Y370 | D80-G83 PolarHBondContact O-N 2.7Å; G83-Y370 PolarHBondContact O-OH 2.95Å; G83-Y370 VanDerWaalsContact O-OH 3.07Å |
| 84 | L | 51.8 | Low | 48 | Very low | 25 Ų | 25 | 85.8 Ų | 85.8 | 13% | 0.131 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -60.8 | 151.9 | 152.3 | -73.3 | 175.2 | 0 | 0 | 0 | 109.3 | Q86 H93 A96 Y370 L377 | L84-Q86 PolarHBondContact O-N 2.86Å; L84-H93 HydrophobicContact CD1-CB 4.3Å; L84-A96 HydrophobicContact CD1-CB 4.34Å; L84-Y370 HydrophobicContact CD2-CE2 4.38Å; L84-L377 HydrophobicContact CD1-CD1 4.15Å; L84-L377 HydrophobicContact CD2-CD1 3.79Å |
| 85 | P | 45.6 | Very low | 50.7 | Low | 36 Ų | 36 | 87.6 Ų | 87.6 | 23% | 0.234 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 134.2 | -169.4 | 18.4 | -32.5 | 0 | 0 | 0 | 113.4 | G87 A88 | P85-G87 PolarHBondContact O-N 3.27Å; P85-A88 PolarHBondContact O-N 2.74Å; P85-A88 VanDerWaalsContact O-N 3.14Å |
| 86 | Q | 45.8 | Very low | 53.2 | Low | 165 Ų | 165 | 79 Ų | 79 | 77% | 0.771 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 111.3 | -179.7 | -63.2 | -177 | 5.4 | 0 | 0 | 109.9 | L84 | L84-Q86 PolarHBondContact O-N 2.86Š|
| 87 | G | 50.6 | Low | 55.6 | Low | 74 Ų | 74 | 71 Ų | 71 | 76% | 0.763 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.2 | -7.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P85 | P85-G87 PolarHBondContact O-N 3.27Š|
| 88 | A | 60.2 | Low | 58.3 | Low | 23 Ų | 23 | 66.8 Ų | 66.8 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | trans | -70.9 | 142.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P85 H93 | P85-A88 PolarHBondContact O-N 2.74Å; P85-A88 VanDerWaalsContact O-N 3.14Å; A88-H93 WeakPolarHBondContact CB-NE2 3.48Å | ||
| 89 | S | 71.6 | Confident | 60.9 | Low | 67 Ų | 67 | 61.3 Ų | 61.3 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | trans | -70.2 | 145.4 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | S91 T92 H93 | S89-S91 PolarHBondContact O-N 3.38Å; S89-S91 PolarHBondContact OG-N 3.45Å; S89-S91 PolarHBondContact OG-OG 3.45Å; S89-S91 VanDerWaalsContact OG-OG 3.11Å; S89-T92 WeakPolarHBondContact O-CA 3.22Å; S89-T92 WeakPolarHBondContact O-CB 3.16Å; S89-T92 PolarHBondContact O-N 3.06Å; S89-H93 PolarHBondContact O-CD2 2.71Å; S89-H93 PolarHBondContact O-N 3.45Å; S89-H93 VanDerWaalsContact O-N 3.13Å | ||
| 90 | T | 71.6 | Confident | 63.2 | Low | 51 Ų | 51 | 57.2 Ų | 57.2 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -50.3 | -33.4 | 173.3 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | T92 H93 M94 E171 | T90-T92 VanDerWaalsContact C-N 3.34Å; T90-T92 PolarHBondContact O-N 3.46Å; T90-H93 PolarHBondContact O-N 3.03Å; T90-M94 HydrophobicContact CG2-CG 4.46Å; T90-M94 HydrophobicContact CG2-SD 4.15Å; T90-M94 WeakPolarHBondContact O-CB 3.28Å; T90-M94 VanDerWaalsContact O-CG 3.23Å; T90-M94 WeakPolarHBondContact O-CG 3.34Å; T90-M94 PolarHBondContact O-N 3.45Å; T90-E171 WeakPolarHBondContact CA-OE1 3.35Å; T90-E171 WeakPolarHBondContact CB-OE2 3.46Å; T90-E171 WeakPolarHBondContact CG2-OE2 3.45Å; T90-E171 PolarHBondContact OG1-OE2 2.92Å |
| 91 | S | 73.8 | Confident | 65 | Low | 76 Ų | 76 | 54 Ų | 54 | 53% | 0.531 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 174.5 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | S89 L95 | S89-S91 PolarHBondContact O-N 3.38Å; S89-S91 PolarHBondContact OG-N 3.45Å; S89-S91 PolarHBondContact OG-OG 3.45Å; S89-S91 VanDerWaalsContact OG-OG 3.11Å; S91-L95 WeakPolarHBondContact O-CB 3.31Å; S91-L95 PolarHBondContact O-N 3.48Å |
| 92 | T | 74.9 | Confident | 67.2 | Low | 47 Ų | 47 | 52.7 Ų | 52.7 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | 174.1 | -49.7 | 0 | 0 | 0 | 0 | 111 | S89 T90 L95 A96 L377 | S89-T92 WeakPolarHBondContact O-CA 3.22Å; S89-T92 WeakPolarHBondContact O-CB 3.16Å; S89-T92 PolarHBondContact O-N 3.06Å; T90-T92 VanDerWaalsContact C-N 3.34Å; T90-T92 PolarHBondContact O-N 3.46Å; T92-L95 PolarHBondContact O-N 2.96Å; T92-A96 VanDerWaalsContact O-CB 3.25Å; T92-A96 WeakPolarHBondContact O-CB 3.25Å; T92-A96 PolarHBondContact O-N 3.4Å; T92-L377 HydrophobicContact CG2-CD1 4.42Å; T92-L377 HydrophobicContact CG2-CD2 3.53Å |
| 93 | H | 71.9 | Confident | 69.1 | Low | 34 Ų | 34 | 49.4 Ų | 49.4 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 174.3 | -73.4 | -130.1 | 0 | 0 | 0 | 111.1 | L84 A88 S89 T90 L95 G97 E171 | L84-H93 HydrophobicContact CD1-CB 4.3Å; A88-H93 WeakPolarHBondContact CB-NE2 3.48Å; S89-H93 PolarHBondContact O-CD2 2.71Å; S89-H93 PolarHBondContact O-N 3.45Å; S89-H93 VanDerWaalsContact O-N 3.13Å; T90-H93 PolarHBondContact O-N 3.03Å; H93-L95 PolarHBondContact O-N 2.85Å; H93-G97 PolarHBondContact O-N 2.94Å; H93-E171 VanDerWaalsContact CB-OE1 3.25Å; H93-E171 WeakPolarHBondContact CB-OE1 3.5Å; H93-E171 IonicContact CD2-OE1 3.44Å; H93-E171 IonicContact CG-OE1 3.48Å; H93-E171 VanDerWaalsContact CG-OE1 3.29Å; H93-E171 IonicContact ND1-OE1 2.71Å; H93-E171 PolarHBondContact ND1-OE1 3.34Å |
| 94 | M | 76.9 | Confident | 70.6 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.3 | -70.4 | 171.4 | 65.7 | 0 | 0 | 112.6 | T90 A98 A164 F167 A168 | T90-M94 HydrophobicContact CG2-CG 4.46Å; T90-M94 HydrophobicContact CG2-SD 4.15Å; T90-M94 WeakPolarHBondContact O-CB 3.28Å; T90-M94 VanDerWaalsContact O-CG 3.23Å; T90-M94 WeakPolarHBondContact O-CG 3.34Å; T90-M94 PolarHBondContact O-N 3.45Å; M94-A98 VanDerWaalsContact O-CB 3.26Å; M94-A98 WeakPolarHBondContact O-CB 3.44Å; M94-A98 PolarHBondContact O-N 3.24Å; M94-A164 HydrophobicContact CE-CB 4.26Å; M94-F167 HydrophobicContact CG-CB 4.39Å; M94-A168 HydrophobicContact CE-CB 3.82Å; M94-A168 HydrophobicContact CG-CB 4.06Å; M94-A168 HydrophobicContact SD-CB 3.7Å |
| 95 | L | 80.6 | Confident | 72.1 | Confident | 117 Ų | 117 | 50.8 Ų | 50.8 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.2 | -46.8 | -179 | -179.1 | 61.7 | 0 | 0 | 0 | 112.1 | S91 T92 H93 G97 A98 V99 | S91-L95 WeakPolarHBondContact O-CB 3.31Å; S91-L95 PolarHBondContact O-N 3.48Å; T92-L95 PolarHBondContact O-N 2.96Å; H93-L95 PolarHBondContact O-N 2.85Å; L95-G97 VanDerWaalsContact C-N 3.33Å; L95-G97 PolarHBondContact O-N 3.26Å; L95-A98 PolarHBondContact O-N 2.76Å; L95-V99 HydrophobicContact CD1-CG2 4.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 3.08Å |
| 96 | A | 74.1 | Confident | 74 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L84 T92 A98 V99 A100 F373 L377 | L84-A96 HydrophobicContact CD1-CB 4.34Å; T92-A96 VanDerWaalsContact O-CB 3.25Å; T92-A96 WeakPolarHBondContact O-CB 3.25Å; T92-A96 PolarHBondContact O-N 3.4Å; A96-A98 PolarHBondContact O-N 3.29Å; A96-V99 PolarHBondContact O-N 3.03Å; A96-A100 WeakPolarHBondContact O-CB 3.32Å; A96-A100 PolarHBondContact O-N 3.01Å; A96-F373 HydrophobicContact CB-CD1 4.11Å; A96-F373 HydrophobicContact CB-CG 4.49Å; A96-L377 HydrophobicContact CB-CD1 4.5Å |
| 97 | G | 72.8 | Confident | 75.9 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H93 L95 G101 | H93-G97 PolarHBondContact O-N 2.94Å; L95-G97 VanDerWaalsContact C-N 3.33Å; L95-G97 PolarHBondContact O-N 3.26Å; G97-G101 PolarHBondContact O-N 2.65Å |
| 98 | A | 79.9 | Confident | 77.5 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M94 L95 A96 I102 A164 | M94-A98 VanDerWaalsContact O-CB 3.26Å; M94-A98 WeakPolarHBondContact O-CB 3.44Å; M94-A98 PolarHBondContact O-N 3.24Å; L95-A98 PolarHBondContact O-N 2.76Å; A96-A98 PolarHBondContact O-N 3.29Å; A98-I102 WeakPolarHBondContact O-CD1 3.32Å; A98-I102 VanDerWaalsContact O-CG1 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 2.8Å; A98-A164 HydrophobicContact CB-CB 4.41Å |
| 99 | V | 81.6 | Confident | 78.8 | Confident | 67 Ų | 67 | 43.6 Ų | 43.6 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.8 | -38 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | L95 A96 I102 M103 F373 | L95-V99 HydrophobicContact CD1-CG2 4.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 3.08Å; A96-V99 PolarHBondContact O-N 3.03Å; V99-I102 PolarHBondContact O-N 3.21Å; V99-M103 WeakPolarHBondContact O-CB 3.24Å; V99-M103 PolarHBondContact O-N 3.21Å; V99-F373 HydrophobicContact CB-CE1 4.32Å; V99-F373 HydrophobicContact CB-CZ 3.73Å; V99-F373 HydrophobicContact CG1-CE1 4.44Å; V99-F373 HydrophobicContact CG1-CZ 3.65Å |
| 100 | A | 75.3 | Confident | 79.5 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.5 | -51.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A96 I102 M103 E104 V369 F373 | A96-A100 WeakPolarHBondContact O-CB 3.32Å; A96-A100 PolarHBondContact O-N 3.01Å; A100-I102 PolarHBondContact O-N 3.16Å; A100-M103 PolarHBondContact O-N 3.24Å; A100-M103 VanDerWaalsContact O-N 3.14Å; A100-E104 PolarHBondContact O-N 3.45Å; A100-V369 HydrophobicContact CB-CG1 3.47Å; A100-V369 VanDerWaalsContact CB-CG1 3.47Å; A100-F373 HydrophobicContact CB-CD2 3.95Å; A100-F373 HydrophobicContact CB-CE2 3.83Å |
| 101 | G | 76.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G97 H105 H163 | G97-G101 PolarHBondContact O-N 2.65Å; G101-H105 WeakPolarHBondContact O-CB 3.41Å; G101-H105 PolarHBondContact O-CD2 3.49Å; G101-H105 VanDerWaalsContact O-CD2 3.28Å; G101-H105 PolarHBondContact O-N 2.9Å; G101-H163 VanDerWaalsContact CA-CD2 3.47Å; G101-H163 WeakPolarHBondContact CA-CD2 3.48Å; G101-H163 WeakPolarHBondContact CA-NE2 3.48Å |
| 102 | I | 83.8 | Confident | 80.7 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 28% | 0.277 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 171.8 | -68.5 | 162 | 0 | 0 | 0 | 110.2 | A98 V99 A100 H105 C106 A156 A159 | A98-I102 WeakPolarHBondContact O-CD1 3.32Å; A98-I102 VanDerWaalsContact O-CG1 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 2.8Å; V99-I102 PolarHBondContact O-N 3.21Å; A100-I102 PolarHBondContact O-N 3.16Å; I102-H105 PolarHBondContact O-N 3.39Å; I102-C106 WeakPolarHBondContact O-CB 3.32Å; I102-C106 PolarHBondContact O-N 3.46Å; I102-C106 PolarHBondContact O-SG 2.93Å; I102-A156 HydrophobicContact CG2-CB 4.44Å; I102-A159 HydrophobicContact CG1-CB 3.9Å |
| 103 | M | 82.2 | Confident | 81.3 | Confident | 68 Ų | 68 | 37.3 Ų | 37.3 | 34% | 0.335 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.1 | -43.3 | -178.9 | -173 | 149.8 | 66.8 | 0 | 0 | 112.2 | V99 A100 C106 L107 V369 F373 | V99-M103 WeakPolarHBondContact O-CB 3.24Å; V99-M103 PolarHBondContact O-N 3.21Å; A100-M103 PolarHBondContact O-N 3.24Å; A100-M103 VanDerWaalsContact O-N 3.14Å; M103-C106 PolarHBondContact O-N 3.19Å; M103-L107 HydrophobicContact CG-CD1 4Å; M103-L107 VanDerWaalsContact O-CG 3.31Å; M103-L107 WeakPolarHBondContact O-CG 3.4Å; M103-L107 PolarHBondContact O-N 3.06Å; M103-V369 HydrophobicContact CE-CB 4.49Å; M103-V369 HydrophobicContact CE-CG1 3.99Å; M103-V369 HydrophobicContact CE-CG2 4Å; M103-V369 HydrophobicContact CG-CG2 4.41Å; M103-F373 HydrophobicContact CE-CE2 4.09Å |
| 104 | E | 80.7 | Confident | 82 | Confident | 43 Ų | 43 | 35.7 Ų | 35.7 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -53.3 | 174.1 | -178 | 179.1 | 143.3 | 0 | 0 | 111.3 | A100 C106 L107 M108 I365 S366 | A100-E104 PolarHBondContact O-N 3.45Å; E104-C106 VanDerWaalsContact C-N 3.28Å; E104-C106 PolarHBondContact O-N 3.2Å; E104-L107 PolarHBondContact O-N 2.87Å; E104-M108 HydrophobicContact CG-CG 4.44Å; E104-M108 WeakPolarHBondContact O-CB 3.38Å; E104-M108 PolarHBondContact O-N 3.39Å; E104-I365 HydrophobicContact CB-CG2 4.42Å; E104-I365 HydrophobicContact CG-CG2 4.19Å; E104-S366 PolarHBondContact OE1-OG 3.17Å; E104-S366 WeakPolarHBondContact OE2-CB 3.35Å; E104-S366 PolarHBondContact OE2-OG 2.66Å |
| 105 | H | 83.6 | Confident | 82.3 | Confident | 35 Ų | 35 | 34.8 Ų | 34.8 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -31.2 | 179.9 | -78.2 | -44.6 | 0 | 0 | 0 | 113.6 | G101 I102 F109 T155 H163 | G101-H105 WeakPolarHBondContact O-CB 3.41Å; G101-H105 PolarHBondContact O-CD2 3.49Å; G101-H105 VanDerWaalsContact O-CD2 3.28Å; G101-H105 PolarHBondContact O-N 2.9Å; I102-H105 PolarHBondContact O-N 3.39Å; H105-F109 WeakPolarHBondContact O-CB 3.41Å; H105-F109 PolarHBondContact O-N 2.91Å; H105-F109 VanDerWaalsContact O-N 3.16Å; H105-T155 HydrophobicContact CB-CG2 3.88Å; H105-H163 AromaticContact CD2-CE1 3.78Å; H105-H163 AromaticContact NE2-CE1 3.54Å |
| 106 | C | 86.7 | Confident | 82.5 | Confident | 45 Ų | 45 | 29.6 Ų | 29.6 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.4 | -44.8 | 173.2 | -75 | 0 | 0 | 0 | 0 | 112.1 | I102 M103 E104 F109 L152 | I102-C106 WeakPolarHBondContact O-CB 3.32Å; I102-C106 PolarHBondContact O-N 3.46Å; I102-C106 PolarHBondContact O-SG 2.93Å; M103-C106 PolarHBondContact O-N 3.19Å; E104-C106 VanDerWaalsContact C-N 3.28Å; E104-C106 PolarHBondContact O-N 3.2Å; C106-F109 WeakPolarHBondContact O-CB 3.46Å; C106-F109 PolarHBondContact O-N 2.97Å; C106-L152 HydrophobicContact CB-CD1 4.33Å |
| 107 | L | 84.4 | Confident | 83 | Confident | 95 Ų | 95 | 29.4 Ų | 29.4 | 50% | 0.497 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70 | -40.3 | -179.8 | -68.8 | 170.4 | 0 | 0 | 0 | 112.1 | M103 E104 F109 P110 I365 | M103-L107 HydrophobicContact CG-CD1 4Å; M103-L107 VanDerWaalsContact O-CG 3.31Å; M103-L107 WeakPolarHBondContact O-CG 3.4Å; M103-L107 PolarHBondContact O-N 3.06Å; E104-L107 PolarHBondContact O-N 2.87Å; L107-F109 VanDerWaalsContact C-N 3.3Å; L107-F109 PolarHBondContact O-N 2.89Å; L107-P110 WeakPolarHBondContact O-CD 3.26Å; L107-I365 HydrophobicContact CB-CD1 4.21Å; L107-I365 HydrophobicContact CB-CG2 4.35Å; L107-I365 HydrophobicContact CD1-CG2 3.84Å |
| 108 | M | 83.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.034 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.6 | -10.3 | 177.9 | -70.8 | -67.6 | -76.6 | 0 | 0 | 113.6 | E104 I111 D112 P361 I365 | E104-M108 HydrophobicContact CG-CG 4.44Å; E104-M108 WeakPolarHBondContact O-CB 3.38Å; E104-M108 PolarHBondContact O-N 3.39Å; M108-I111 HydrophobicContact CE-CG2 4.3Å; M108-I111 WeakPolarHBondContact O-CA 3.16Å; M108-I111 VanDerWaalsContact O-CB 3.31Å; M108-I111 WeakPolarHBondContact O-CB 3.4Å; M108-I111 PolarHBondContact O-N 3.48Å; M108-I111 HydrophobicContact SD-CD1 4Å; M108-D112 PolarHBondContact O-N 3.49Å; M108-P361 HydrophobicContact SD-CB 4.35Å; M108-I365 HydrophobicContact CG-CD1 4.06Å; M108-I365 HydrophobicContact SD-CD1 3.67Å |
| 109 | F | 87.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.1 | -43.6 | -171.8 | -155.9 | -88.3 | 0 | 0 | 0 | 115.9 | H105 C106 L107 I111 D112 C113 P148 L149 G151 L152 T155 K214 Q218 | H105-F109 WeakPolarHBondContact O-CB 3.41Å; H105-F109 PolarHBondContact O-N 2.91Å; H105-F109 VanDerWaalsContact O-N 3.16Å; C106-F109 WeakPolarHBondContact O-CB 3.46Å; C106-F109 PolarHBondContact O-N 2.97Å; L107-F109 VanDerWaalsContact C-N 3.3Å; L107-F109 PolarHBondContact O-N 2.89Å; F109-I111 PolarHBondContact O-N 2.79Å; F109-D112 PolarHBondContact O-N 3.02Å; F109-C113 PolarHBondContact O-N 3.42Å; F109-C113 VanDerWaalsContact O-N 3.14Å; F109-P148 WeakPolarHBondContact CD1-O 3.29Å; F109-P148 WeakPolarHBondContact CE1-O 3.43Å; F109-L149 HydrophobicContact CB-CD2 4.45Å; F109-L149 HydrophobicContact CD1-CD2 4.28Å; F109-G151 VanDerWaalsContact CZ-C 3.42Å; F109-L152 HydrophobicContact CB-CD1 3.94Å; F109-L152 HydrophobicContact CD1-CB 4.25Å; F109-L152 HydrophobicContact CD1-CD1 4.46Å; F109-L152 HydrophobicContact CD2-CB 4.31Å; F109-L152 HydrophobicContact CD2-CD1 3.64Å; F109-L152 HydrophobicContact CE1-CB 4.19Å; F109-L152 HydrophobicContact CE2-CB 4.28Å; F109-L152 HydrophobicContact CE2-CD1 4.31Å; F109-L152 HydrophobicContact CG-CB 4.31Å; F109-L152 HydrophobicContact CG-CD1 3.74Å; F109-L152 HydrophobicContact CZ-CB 4.23Å; F109-T155 HydrophobicContact CD2-CG2 4.47Å; F109-T155 HydrophobicContact CE2-CG2 4.4Å; F109-T155 WeakPolarHBondContact CE2-OG1 3.48Å; F109-K214 HydrophobicContact CE2-CD 4.08Å; F109-K214 HydrophobicContact CE2-CG 3.89Å; F109-K214 HydrophobicContact CZ-CG 4.04Å; F109-Q218 HydrophobicContact CE1-CG 4.48Å; F109-Q218 HydrophobicContact CZ-CG 4.47Å; F109-Q218 VanDerWaalsContact CZ-NE2 3.27Å |
| 110 | P | 88 | Confident | 83 | Confident | 35 Ų | 35 | 27.1 Ų | 27.1 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -32.3 | 177.2 | -19.5 | 32.8 | 0 | 0 | 0 | 112.6 | L107 V114 L136 P148 L149 | L107-P110 WeakPolarHBondContact O-CD 3.26Å; P110-V114 PolarHBondContact O-N 2.92Å; P110-L136 HydrophobicContact CB-CD1 4.46Å; P110-P148 HydrophobicContact CB-CB 3.99Å; P110-L149 HydrophobicContact CG-CD2 3.9Å |
| 111 | I | 84.8 | Confident | 82.3 | Confident | 43 Ų | 43 | 27 Ų | 27 | 22% | 0.221 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.3 | -43.6 | -178.3 | -59.1 | -177.6 | 0 | 0 | 0 | 109.5 | M108 F109 C113 V114 K115 Y358 | M108-I111 HydrophobicContact CE-CG2 4.3Å; M108-I111 WeakPolarHBondContact O-CA 3.16Å; M108-I111 VanDerWaalsContact O-CB 3.31Å; M108-I111 WeakPolarHBondContact O-CB 3.4Å; M108-I111 PolarHBondContact O-N 3.48Å; M108-I111 HydrophobicContact SD-CD1 4Å; F109-I111 PolarHBondContact O-N 2.79Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 3.21Å; I111-V114 WeakPolarHBondContact O-CB 3.22Å; I111-V114 PolarHBondContact O-N 2.71Å; I111-V114 VanDerWaalsContact O-N 3.12Å; I111-K115 PolarHBondContact O-N 2.86Å; I111-Y358 HydrophobicContact CB-CE1 4.49Å; I111-Y358 HydrophobicContact CG2-CD1 3.13Å; I111-Y358 HydrophobicContact CG2-CD2 4.32Å; I111-Y358 HydrophobicContact CG2-CE1 3.13Å; I111-Y358 HydrophobicContact CG2-CE2 4.34Å; I111-Y358 HydrophobicContact CG2-CG 3.77Å; I111-Y358 PolarHBondContact O-OH 3.04Å |
| 112 | D | 84.6 | Confident | 81.5 | Confident | 29 Ų | 29 | 30.7 Ų | 30.7 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 172.6 | -74.8 | -28.9 | 0 | 0 | 0 | 112.9 | M108 F109 V114 K115 T116 K214 | M108-D112 PolarHBondContact O-N 3.49Å; F109-D112 PolarHBondContact O-N 3.02Å; D112-V114 VanDerWaalsContact C-N 3.25Å; D112-V114 PolarHBondContact O-N 3.49Å; D112-K115 WeakPolarHBondContact O-CA 3.29Å; D112-K115 VanDerWaalsContact O-CB 3.25Å; D112-K115 WeakPolarHBondContact O-CB 3.27Å; D112-K115 PolarHBondContact O-N 3.26Å; D112-T116 PolarHBondContact O-N 2.97Å; D112-T116 PolarHBondContact O-OG1 3.48Å; D112-K214 IonicContact OD2-NZ 3.98Å; D112-K214 PolarHBondContact OD2-NZ 2.93Å |
| 113 | C | 87.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | F109 I111 R117 P148 Q218 | F109-C113 PolarHBondContact O-N 3.42Å; F109-C113 VanDerWaalsContact O-N 3.14Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 3.21Å; C113-R117 WeakPolarHBondContact O-CB 3.38Å; C113-R117 WeakPolarHBondContact O-CG 3.34Å; C113-R117 PolarHBondContact O-N 3.23Å; C113-R117 VanDerWaalsContact O-N 3.13Å; C113-P148 HydrophobicContact CB-CB 4.2Å; C113-Q218 HydrophobicContact CB-CG 4.12Å |
| 114 | V | 87.2 | Confident | 79.3 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | P110 I111 D112 R117 M118 V132 A135 L136 I139 Y358 | P110-V114 PolarHBondContact O-N 2.92Å; I111-V114 WeakPolarHBondContact O-CB 3.22Å; I111-V114 PolarHBondContact O-N 2.71Å; I111-V114 VanDerWaalsContact O-N 3.12Å; D112-V114 VanDerWaalsContact C-N 3.25Å; D112-V114 PolarHBondContact O-N 3.49Å; V114-R117 PolarHBondContact O-N 2.94Å; V114-M118 HydrophobicContact CG1-CG 4.16Å; V114-M118 HydrophobicContact CG1-SD 3.81Å; V114-M118 WeakPolarHBondContact O-CB 3.42Å; V114-M118 WeakPolarHBondContact O-CG 3.47Å; V114-M118 PolarHBondContact O-N 2.91Å; V114-V132 HydrophobicContact CG1-CG1 4.4Å; V114-A135 HydrophobicContact CG1-CB 3.57Å; V114-L136 HydrophobicContact CG2-CB 3.88Å; V114-L136 HydrophobicContact CG2-CD1 4Å; V114-I139 HydrophobicContact CG2-CD1 4.03Å; V114-Y358 WeakPolarHBondContact CB-OH 3.2Å; V114-Y358 WeakPolarHBondContact CG1-OH 3.38Å |
| 115 | K | 84.1 | Confident | 78.1 | Confident | 40 Ų | 40 | 33.6 Ų | 33.6 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.9 | -58.4 | 174.6 | -164.2 | -163.6 | 172.6 | -159.7 | 0 | 111.1 | I111 D112 R117 M118 Q119 D302 Y358 | I111-K115 PolarHBondContact O-N 2.86Å; D112-K115 WeakPolarHBondContact O-CA 3.29Å; D112-K115 VanDerWaalsContact O-CB 3.25Å; D112-K115 WeakPolarHBondContact O-CB 3.27Å; D112-K115 PolarHBondContact O-N 3.26Å; K115-R117 VanDerWaalsContact C-N 3.3Å; K115-R117 PolarHBondContact O-N 3.46Å; K115-M118 PolarHBondContact O-N 3.33Å; K115-M118 VanDerWaalsContact O-N 3.16Å; K115-Q119 VanDerWaalsContact CE-OE1 3.25Å; K115-Q119 WeakPolarHBondContact O-CG 3.37Å; K115-Q119 PolarHBondContact O-N 2.85Å; K115-D302 WeakPolarHBondContact CE-OD2 3.43Å; K115-D302 IonicContact NZ-OD1 2.65Å; K115-D302 PolarHBondContact NZ-OD1 3.25Å; K115-D302 IonicContact NZ-OD2 3.43Å; K115-D302 PolarHBondContact NZ-OD2 3Å; K115-Y358 HydrophobicContact CB-CD2 4.05Å; K115-Y358 HydrophobicContact CB-CE2 3.44Å; K115-Y358 VanDerWaalsContact CB-CE2 3.44Å; K115-Y358 HydrophobicContact CD-CD2 4.42Å; K115-Y358 HydrophobicContact CG-CD2 4Å; K115-Y358 HydrophobicContact CG-CE2 3.72Å; K115-Y358 PolarHBondContact N-OH 3.47Å |
| 116 | T | 84.1 | Confident | 76.6 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -39.2 | -177.3 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | D112 Q119 S120 Q215 M219 T306 T310 | D112-T116 PolarHBondContact O-N 2.97Å; D112-T116 PolarHBondContact O-OG1 3.48Å; T116-Q119 PolarHBondContact O-N 3.37Å; T116-S120 PolarHBondContact O-N 3.48Å; T116-Q215 HydrophobicContact CG2-CB 4.09Å; T116-Q215 HydrophobicContact CG2-CG 4.2Å; T116-M219 HydrophobicContact CG2-SD 4.08Å; T116-T306 HydrophobicContact CG2-CG2 4.44Å; T116-T310 HydrophobicContact CG2-CG2 4.47Å |
| 117 | R | 83.5 | Confident | 75.1 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.2 | -31 | 177.4 | -75.2 | 172.8 | 165.4 | -123.5 | 3.2 | 114.5 | C113 V114 K115 S120 Y129 I139 E143 Q218 | C113-R117 WeakPolarHBondContact O-CB 3.38Å; C113-R117 WeakPolarHBondContact O-CG 3.34Å; C113-R117 PolarHBondContact O-N 3.23Å; C113-R117 VanDerWaalsContact O-N 3.13Å; V114-R117 PolarHBondContact O-N 2.94Å; K115-R117 VanDerWaalsContact C-N 3.3Å; K115-R117 PolarHBondContact O-N 3.46Å; R117-S120 WeakPolarHBondContact O-CB 3.19Å; R117-Y129 HydrophobicContact CB-CE2 4.34Å; R117-I139 VanDerWaalsContact CD-CD1 3.49Å; R117-E143 IonicContact CZ-OE1 2.66Å; R117-E143 VanDerWaalsContact CZ-OE1 3.27Å; R117-E143 IonicContact CZ-OE2 2.67Å; R117-E143 IonicContact NH1-OE1 2.71Å; R117-E143 PolarHBondContact NH1-OE1 3.16Å; R117-E143 IonicContact NH2-OE1 3.19Å; R117-E143 PolarHBondContact NH2-OE1 3.25Å; R117-E143 IonicContact NH2-OE2 2.74Å; R117-E143 PolarHBondContact NH2-OE2 3.5Å; R117-Q218 PolarHBondContact NE-O 3.45Å; R117-Q218 PolarHBondContact NH2-O 3.14Å |
| 118 | M | 80.1 | Confident | 74.1 | Confident | 29 Ų | 29 | 39.7 Ų | 39.7 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -79.5 | -21.8 | 174.4 | -70.3 | -174.9 | 75.2 | 0 | 0 | 113 | V114 K115 Y129 V132 A135 A354 | V114-M118 HydrophobicContact CG1-CG 4.16Å; V114-M118 HydrophobicContact CG1-SD 3.81Å; V114-M118 WeakPolarHBondContact O-CB 3.42Å; V114-M118 WeakPolarHBondContact O-CG 3.47Å; V114-M118 PolarHBondContact O-N 2.91Å; K115-M118 PolarHBondContact O-N 3.33Å; K115-M118 VanDerWaalsContact O-N 3.16Å; M118-Y129 HydrophobicContact CG-CD2 4.18Å; M118-Y129 HydrophobicContact CG-CG 4.49Å; M118-V132 HydrophobicContact SD-CG2 4.37Å; M118-A135 HydrophobicContact SD-CB 4.37Å; M118-A354 HydrophobicContact CE-CB 4.43Å; M118-A354 HydrophobicContact SD-CB 3.89Å |
| 119 | Q | 78 | Confident | 73.5 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -89.4 | -16.2 | 175 | -70.5 | 179.6 | -43.2 | 0 | 0 | 113.5 | K115 T116 D302 T306 | K115-Q119 VanDerWaalsContact CE-OE1 3.25Å; K115-Q119 WeakPolarHBondContact O-CG 3.37Å; K115-Q119 PolarHBondContact O-N 2.85Å; T116-Q119 PolarHBondContact O-N 3.37Å; Q119-D302 PolarHBondContact NE2-OD2 3.44Å; Q119-T306 HydrophobicContact CB-CG2 4.03Å; Q119-T306 PolarHBondContact OE1-OG1 3.13Å |
| 120 | S | 76.4 | Confident | 72.7 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | trans | -50.8 | 135.2 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | T116 R117 Q122 M219 E312 | T116-S120 PolarHBondContact O-N 3.48Å; R117-S120 WeakPolarHBondContact O-CB 3.19Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact OG-N 2.81Å; S120-Q122 PolarHBondContact OG-O 2.84Å; S120-M219 VanDerWaalsContact OG-CE 3.27Å; S120-M219 WeakPolarHBondContact OG-CE 3.13Å; S120-E312 VanDerWaalsContact CA-OE1 3.27Å; S120-E312 WeakPolarHBondContact CA-OE1 3.38Å; S120-E312 PolarHBondContact OG-OE1 3.15Å | ||
| 121 | L | 60.5 | Low | 72.3 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -75.1 | -26.1 | 173.2 | -62.2 | -176 | 0 | 0 | 0 | 111.4 | P123 L307 E312 T315 V339 L342 K350 | L121-P123 VanDerWaalsContact C-CD 3.42Å; L121-P123 WeakPolarHBondContact O-CD 3.35Å; L121-L307 HydrophobicContact CD1-CD1 3.89Å; L121-L307 HydrophobicContact CD1-CD2 4.04Å; L121-L307 HydrophobicContact CD1-CG 4.49Å; L121-L307 HydrophobicContact CG-CD1 4.49Å; L121-E312 WeakPolarHBondContact CA-OE2 3.12Å; L121-E312 WeakPolarHBondContact CB-OE2 3.46Å; L121-E312 PolarHBondContact N-OE1 3.31Å; L121-E312 PolarHBondContact N-OE2 2.85Å; L121-T315 HydrophobicContact CB-CG2 4.34Å; L121-V339 HydrophobicContact CD1-CG2 4.33Å; L121-L342 HydrophobicContact CD1-CD1 3.76Å; L121-K350 HydrophobicContact CD2-CD 4.15Å; L121-K350 PolarHBondContact O-NZ 3.17Å |
| 122 | Q | 59.8 | Low | 72.1 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -100.2 | 84 | 165.1 | -64.9 | -171.5 | -10.3 | 0 | 0 | 112.2 | S120 E312 H314 T315 | S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact OG-N 2.81Å; S120-Q122 PolarHBondContact OG-O 2.84Å; Q122-E312 PolarHBondContact N-OE2 3.19Å; Q122-H314 VanDerWaalsContact NE2-CB 3.32Å; Q122-T315 HydrophobicContact CG-CG2 3.52Å |
| 123 | P | 59.6 | Low | 72.1 | Confident | 58 Ų | 58 | 54 Ų | 54 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | trans | -62.5 | 151.4 | 154.7 | 30.3 | -33.2 | 0 | 0 | 0 | 109 | L121 | L121-P123 VanDerWaalsContact C-CD 3.42Å; L121-P123 WeakPolarHBondContact O-CD 3.35Å | ||
| 124 | D | 60 | Low | 72.1 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | trans | -51.2 | 132.9 | 170.2 | 159.5 | 21.6 | 0 | 0 | 0 | 109.5 | A126 A127 F220 | D124-A126 PolarHBondContact O-N 3.07Å; D124-A126 PolarHBondContact OD1-N 3.24Å; D124-A126 VanDerWaalsContact OD1-N 3.08Å; D124-A127 HydrophobicContact CB-CB 3.63Å; D124-A127 WeakPolarHBondContact O-CA 3.33Å; D124-A127 PolarHBondContact O-N 3.26Å; D124-F220 HydrophobicContact CB-CD1 3.81Å; D124-F220 HydrophobicContact CB-CD2 4.16Å; D124-F220 HydrophobicContact CB-CE1 3.62Å; D124-F220 HydrophobicContact CB-CE2 4Å; D124-F220 HydrophobicContact CB-CG 4.05Å; D124-F220 HydrophobicContact CB-CZ 3.72Å | ||
| 125 | P | 55.9 | Low | 71.9 | Confident | 135 Ų | 135 | 55.8 Ų | 55.8 | 88% | 0.877 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -29.4 | 179.5 | -30.5 | 35.9 | 0 | 0 | 0 | 115.2 | ||
| 126 | A | 53.1 | Low | 72.1 | Confident | 77 Ų | 77 | 56 Ų | 56 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -19.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | D124 R128 | D124-A126 PolarHBondContact O-N 3.07Å; D124-A126 PolarHBondContact OD1-N 3.24Å; D124-A126 VanDerWaalsContact OD1-N 3.08Å; A126-R128 PolarHBondContact O-N 2.99Å |
| 127 | A | 54.8 | Low | 72.3 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | trans | -94 | 66.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D124 Y129 | D124-A127 HydrophobicContact CB-CB 3.63Å; D124-A127 WeakPolarHBondContact O-CA 3.33Å; D124-A127 PolarHBondContact O-N 3.26Å; A127-Y129 HydrophobicContact CB-CD1 4.11Å; A127-Y129 HydrophobicContact CB-CD2 4.34Å; A127-Y129 HydrophobicContact CB-CE1 3.69Å; A127-Y129 HydrophobicContact CB-CE2 3.9Å; A127-Y129 HydrophobicContact CB-CG 4.44Å; A127-Y129 PolarHBondContact O-N 3.4Å | ||
| 128 | R | 64 | Low | 72.4 | Confident | 220 Ų | 220 | 67 Ų | 67 | 83% | 0.83 | 33% | 0.332 | S | S | * | . | trans | -66.3 | 83.6 | 150 | -94.2 | -171.3 | 172.2 | -167.6 | -1.2 | 109 | A126 K130 R138 | A126-R128 PolarHBondContact O-N 2.99Å; R128-K130 PolarHBondContact O-N 3.19Å; R128-R138 PolarHBondContact O-NH1 3.31Å; R128-R138 PolarHBondContact O-NH2 3.35Å | ||
| 129 | Y | 69.9 | Low | 72.7 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | trans | -61.2 | 112.2 | 168.9 | -61.9 | -52.2 | 0 | 0 | 0 | 109 | R117 M118 A127 A135 R138 I139 | R117-Y129 HydrophobicContact CB-CE2 4.34Å; M118-Y129 HydrophobicContact CG-CD2 4.18Å; M118-Y129 HydrophobicContact CG-CG 4.49Å; A127-Y129 HydrophobicContact CB-CD1 4.11Å; A127-Y129 HydrophobicContact CB-CD2 4.34Å; A127-Y129 HydrophobicContact CB-CE1 3.69Å; A127-Y129 HydrophobicContact CB-CE2 3.9Å; A127-Y129 HydrophobicContact CB-CG 4.44Å; A127-Y129 PolarHBondContact O-N 3.4Å; Y129-A135 HydrophobicContact CD1-CB 3.3Å; Y129-A135 HydrophobicContact CD2-CB 4.45Å; Y129-A135 HydrophobicContact CE1-CB 3.78Å; Y129-A135 HydrophobicContact CG-CB 3.67Å; Y129-R138 HydrophobicContact CE1-CB 4.42Å; Y129-I139 HydrophobicContact CE1-CG1 4.45Å | ||
| 130 | K | 72.2 | Confident | 73.3 | Confident | 154 Ų | 154 | 68 Ų | 68 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | trans | -82.8 | -36.6 | 179.2 | -62.5 | -178.8 | -179.8 | -179.8 | 0 | 111.6 | R128 D134 | R128-K130 PolarHBondContact O-N 3.19Å; K130-D134 PolarHBondContact N-OD2 3.01Å | ||
| 131 | N | 78 | Confident | 73.9 | Confident | 97 Ų | 97 | 71.9 Ų | 71.9 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -145.2 | 158.7 | -173.3 | -50.9 | 65.4 | 0 | 0 | 0 | 109.1 | M133 D134 A135 | N131-M133 VanDerWaalsContact C-N 3.33Å; N131-M133 PolarHBondContact O-N 3.15Å; N131-D134 HydrophobicContact CB-CB 4.16Å; N131-D134 PolarHBondContact O-N 3.09Å; N131-A135 PolarHBondContact O-N 2.99Å |
| 132 | V | 81.9 | Confident | 75.1 | Confident | 25 Ų | 25 | 75.8 Ų | 75.8 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -48.4 | -51.5 | 170.5 | 165.8 | 0 | 0 | 0 | 0 | 112.6 | V114 M118 D134 A135 L136 A354 I357 Y358 | V114-V132 HydrophobicContact CG1-CG1 4.4Å; M118-V132 HydrophobicContact SD-CG2 4.37Å; V132-D134 PolarHBondContact O-N 3.28Å; V132-A135 WeakPolarHBondContact O-CB 3.41Å; V132-A135 PolarHBondContact O-N 3.44Å; V132-L136 PolarHBondContact O-N 3.44Å; V132-A354 HydrophobicContact CG2-CB 3.84Å; V132-I357 HydrophobicContact CG2-CD1 4.46Å; V132-Y358 HydrophobicContact CB-CE1 4.28Å; V132-Y358 HydrophobicContact CG1-CE1 3.52Å; V132-Y358 HydrophobicContact CG2-CE1 3.73Å; V132-Y358 WeakPolarHBondContact CG2-OH 3.27Å |
| 133 | M | 84.4 | Confident | 76.3 | Confident | 102 Ų | 102 | 74.1 Ų | 74.1 | 50% | 0.502 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.7 | -34.5 | -175.2 | -172.6 | 60.1 | 65.5 | 0 | 0 | 112.4 | N131 R137 | N131-M133 VanDerWaalsContact C-N 3.33Å; N131-M133 PolarHBondContact O-N 3.15Å; M133-R137 WeakPolarHBondContact O-CB 3.33Å; M133-R137 VanDerWaalsContact O-CG 3.25Å; M133-R137 WeakPolarHBondContact O-CG 3.47Å; M133-R137 PolarHBondContact O-N 3.36Å |
| 134 | D | 85.8 | Confident | 77.6 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 20% | 0.203 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 171.8 | 170.3 | 44.8 | 0 | 0 | 0 | 110.4 | K130 N131 V132 R137 R138 | K130-D134 PolarHBondContact N-OD2 3.01Å; N131-D134 HydrophobicContact CB-CB 4.16Å; N131-D134 PolarHBondContact O-N 3.09Å; V132-D134 PolarHBondContact O-N 3.28Å; D134-R137 PolarHBondContact O-N 3.44Å; D134-R138 WeakPolarHBondContact O-CB 3.39Å; D134-R138 VanDerWaalsContact O-CG 3.32Å; D134-R138 WeakPolarHBondContact O-CG 3.45Å; D134-R138 PolarHBondContact O-N 2.69Å; D134-R138 IonicContact OD1-CZ 3.72Å; D134-R138 IonicContact OD1-NE 3.83Å; D134-R138 PolarHBondContact OD1-NE 3.14Å; D134-R138 IonicContact OD1-NH2 3.73Å; D134-R138 PolarHBondContact OD1-NH2 3.47Å; D134-R138 IonicContact OD2-CZ 2.68Å; D134-R138 IonicContact OD2-NE 3.35Å; D134-R138 PolarHBondContact OD2-NE 3.44Å; D134-R138 IonicContact OD2-NH2 3.94Å; D134-R138 PolarHBondContact OD2-NH2 3.41Å |
| 135 | A | 84.6 | Confident | 79 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.008 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | V114 M118 Y129 N131 V132 R137 R138 I139 | V114-A135 HydrophobicContact CG1-CB 3.57Å; M118-A135 HydrophobicContact SD-CB 4.37Å; Y129-A135 HydrophobicContact CD1-CB 3.3Å; Y129-A135 HydrophobicContact CD2-CB 4.45Å; Y129-A135 HydrophobicContact CE1-CB 3.78Å; Y129-A135 HydrophobicContact CG-CB 3.67Å; N131-A135 PolarHBondContact O-N 2.99Å; V132-A135 WeakPolarHBondContact O-CB 3.41Å; V132-A135 PolarHBondContact O-N 3.44Å; A135-R137 PolarHBondContact O-N 3.31Å; A135-R138 PolarHBondContact O-N 3.46Å; A135-I139 WeakPolarHBondContact O-CD1 3.09Å; A135-I139 WeakPolarHBondContact O-CG1 3.44Å; A135-I139 PolarHBondContact O-N 2.94Å |
| 136 | L | 87.5 | Confident | 80.5 | Confident | 44 Ų | 44 | 79 Ų | 79 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.4 | -174.7 | 58.5 | 0 | 0 | 0 | 111.7 | P110 V114 V132 R138 I139 V140 P148 | P110-L136 HydrophobicContact CB-CD1 4.46Å; V114-L136 HydrophobicContact CG2-CB 3.88Å; V114-L136 HydrophobicContact CG2-CD1 4Å; V132-L136 PolarHBondContact O-N 3.44Å; L136-R138 PolarHBondContact O-N 2.89Å; L136-I139 PolarHBondContact O-N 3.34Å; L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 WeakPolarHBondContact O-CG2 3.47Å; L136-V140 PolarHBondContact O-N 2.9Å; L136-P148 HydrophobicContact CD1-CB 4.49Å; L136-P148 HydrophobicContact CD1-CG 4.09Å |
| 137 | R | 87.8 | Confident | 82.2 | Confident | 174 Ų | 174 | 77.2 Ų | 77.2 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.8 | -45.2 | 177.4 | -73.6 | 173.2 | -170.5 | 161.5 | 2.4 | 111.9 | M133 D134 A135 V140 A141 | M133-R137 WeakPolarHBondContact O-CB 3.33Å; M133-R137 VanDerWaalsContact O-CG 3.25Å; M133-R137 WeakPolarHBondContact O-CG 3.47Å; M133-R137 PolarHBondContact O-N 3.36Å; D134-R137 PolarHBondContact O-N 3.44Å; A135-R137 PolarHBondContact O-N 3.31Å; R137-V140 PolarHBondContact O-N 3.19Å; R137-A141 VanDerWaalsContact O-CB 3.28Å; R137-A141 WeakPolarHBondContact O-CB 3.38Å; R137-A141 PolarHBondContact O-N 3.49Å |
| 138 | R | 86.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 178 | -71.8 | -173.2 | -155.2 | -172.2 | 20.5 | 111.9 | R128 Y129 D134 A135 L136 V140 A141 T142 | R128-R138 PolarHBondContact O-NH1 3.31Å; R128-R138 PolarHBondContact O-NH2 3.35Å; Y129-R138 HydrophobicContact CE1-CB 4.42Å; D134-R138 WeakPolarHBondContact O-CB 3.39Å; D134-R138 VanDerWaalsContact O-CG 3.32Å; D134-R138 WeakPolarHBondContact O-CG 3.45Å; D134-R138 PolarHBondContact O-N 2.69Å; D134-R138 IonicContact OD1-CZ 3.72Å; D134-R138 IonicContact OD1-NE 3.83Å; D134-R138 PolarHBondContact OD1-NE 3.14Å; D134-R138 IonicContact OD1-NH2 3.73Å; D134-R138 PolarHBondContact OD1-NH2 3.47Å; D134-R138 IonicContact OD2-CZ 2.68Å; D134-R138 IonicContact OD2-NE 3.35Å; D134-R138 PolarHBondContact OD2-NE 3.44Å; D134-R138 IonicContact OD2-NH2 3.94Å; D134-R138 PolarHBondContact OD2-NH2 3.41Å; A135-R138 PolarHBondContact O-N 3.46Å; L136-R138 PolarHBondContact O-N 2.89Å; R138-V140 VanDerWaalsContact C-N 3.32Å; R138-V140 PolarHBondContact O-N 3.16Å; R138-A141 PolarHBondContact O-N 3.34Å; R138-A141 VanDerWaalsContact O-N 3.16Å; R138-T142 WeakPolarHBondContact O-CG2 3.21Å; R138-T142 PolarHBondContact O-N 2.68Å; R138-T142 PolarHBondContact O-OG1 2.89Å |
| 139 | I | 86.9 | Confident | 85 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 178.5 | -64.9 | 160.6 | 0 | 0 | 0 | 110.9 | V114 R117 Y129 A135 L136 E143 R147 P148 | V114-I139 HydrophobicContact CG2-CD1 4.03Å; R117-I139 VanDerWaalsContact CD-CD1 3.49Å; Y129-I139 HydrophobicContact CE1-CG1 4.45Å; A135-I139 WeakPolarHBondContact O-CD1 3.09Å; A135-I139 WeakPolarHBondContact O-CG1 3.44Å; A135-I139 PolarHBondContact O-N 2.94Å; L136-I139 PolarHBondContact O-N 3.34Å; I139-E143 WeakPolarHBondContact O-CB 3.44Å; I139-E143 PolarHBondContact O-N 3.41Å; I139-R147 HydrophobicContact CG2-CB 4.3Å; I139-R147 HydrophobicContact CG2-CG 4.35Å; I139-P148 HydrophobicContact CG2-CG 4.08Å |
| 140 | V | 89.9 | Confident | 85.8 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 33% | 0.327 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 177.2 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | L136 R137 R138 G144 V145 P148 | L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 WeakPolarHBondContact O-CG2 3.47Å; L136-V140 PolarHBondContact O-N 2.9Å; R137-V140 PolarHBondContact O-N 3.19Å; R138-V140 VanDerWaalsContact C-N 3.32Å; R138-V140 PolarHBondContact O-N 3.16Å; V140-G144 CarbonylContact O-C 3.58Å; V140-G144 WeakPolarHBondContact O-CA 3.41Å; V140-G144 PolarHBondContact O-N 2.95Å; V140-G144 VanDerWaalsContact O-N 3.07Å; V140-V145 HydrophobicContact CG1-CB 4.21Å; V140-V145 HydrophobicContact CG1-CG2 4.47Å; V140-P148 HydrophobicContact CG2-CG 4.13Å |
| 141 | A | 88.1 | Confident | 86.5 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.8 | -34.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R137 R138 | R137-A141 VanDerWaalsContact O-CB 3.28Å; R137-A141 WeakPolarHBondContact O-CB 3.38Å; R137-A141 PolarHBondContact O-N 3.49Å; R138-A141 PolarHBondContact O-N 3.34Å; R138-A141 VanDerWaalsContact O-N 3.16Å |
| 142 | T | 85.9 | Confident | 87 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -95.8 | -29.3 | -176.2 | 61 | 0 | 0 | 0 | 0 | 114 | R138 | R138-T142 WeakPolarHBondContact O-CG2 3.21Å; R138-T142 PolarHBondContact O-N 2.68Å; R138-T142 PolarHBondContact O-OG1 2.89Å |
| 143 | E | 85 | Confident | 87.4 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -123 | -1.9 | -175.5 | -65.8 | 176.1 | -104.1 | 0 | 0 | 113.8 | R117 I139 R147 F220 | R117-E143 IonicContact CZ-OE1 2.66Å; R117-E143 VanDerWaalsContact CZ-OE1 3.27Å; R117-E143 IonicContact CZ-OE2 2.67Å; R117-E143 IonicContact NH1-OE1 2.71Å; R117-E143 PolarHBondContact NH1-OE1 3.16Å; R117-E143 IonicContact NH2-OE1 3.19Å; R117-E143 PolarHBondContact NH2-OE1 3.25Å; R117-E143 IonicContact NH2-OE2 2.74Å; R117-E143 PolarHBondContact NH2-OE2 3.5Å; I139-E143 WeakPolarHBondContact O-CB 3.44Å; I139-E143 PolarHBondContact O-N 3.41Å; E143-R147 HydrophobicContact CB-CB 3.89Å; E143-R147 HydrophobicContact CB-CG 3.54Å; E143-R147 HydrophobicContact CG-CG 4.44Å; E143-R147 IonicContact OE2-CZ 3.57Å; E143-R147 IonicContact OE2-NE 2.7Å; E143-R147 PolarHBondContact OE2-NE 2.88Å; E143-R147 IonicContact OE2-NH2 3.56Å; E143-R147 PolarHBondContact OE2-NH2 2.92Å; E143-F220 WeakPolarHBondContact OE1-CD2 3.42Å |
| 144 | G | 87.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | trans | 94.9 | 156.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | V140 W146 R147 | V140-G144 CarbonylContact O-C 3.58Å; V140-G144 WeakPolarHBondContact O-CA 3.41Å; V140-G144 PolarHBondContact O-N 2.95Å; V140-G144 VanDerWaalsContact O-N 3.07Å; G144-W146 VanDerWaalsContact C-N 3.25Å; G144-W146 PolarHBondContact O-N 2.74Å; G144-R147 VanDerWaalsContact O-CB 3.22Å; G144-R147 WeakPolarHBondContact O-CB 3.5Å; G144-R147 PolarHBondContact O-N 2.67Å | ||
| 145 | V | 89.5 | Confident | 87.7 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 58% | 0.582 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.3 | -174.8 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | V140 R147 P148 | V140-V145 HydrophobicContact CG1-CB 4.21Å; V140-V145 HydrophobicContact CG1-CG2 4.47Å; V145-R147 VanDerWaalsContact C-N 3.33Å; V145-P148 WeakPolarHBondContact O-CD 3.22Å |
| 146 | W | 87.9 | Confident | 87.9 | Confident | 201 Ų | 201 | 61 Ų | 61 | 76% | 0.761 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.2 | 178.3 | -61.6 | 106.8 | 0 | 0 | 0 | 113.8 | G144 L149 | G144-W146 VanDerWaalsContact C-N 3.25Å; G144-W146 PolarHBondContact O-N 2.74Å; W146-L149 HydrophobicContact CE3-CD1 3.86Å; W146-L149 HydrophobicContact CZ3-CD1 3.98Å; W146-L149 PolarHBondContact O-N 3.28Å |
| 147 | R | 87.4 | Confident | 88 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -62.7 | -43.1 | -174.9 | -163 | 73.4 | 158.8 | 124.9 | 2.7 | 113.9 | I139 E143 G144 V145 L149 R150 | I139-R147 HydrophobicContact CG2-CB 4.3Å; I139-R147 HydrophobicContact CG2-CG 4.35Å; E143-R147 HydrophobicContact CB-CB 3.89Å; E143-R147 HydrophobicContact CB-CG 3.54Å; E143-R147 HydrophobicContact CG-CG 4.44Å; E143-R147 IonicContact OE2-CZ 3.57Å; E143-R147 IonicContact OE2-NE 2.7Å; E143-R147 PolarHBondContact OE2-NE 2.88Å; E143-R147 IonicContact OE2-NH2 3.56Å; E143-R147 PolarHBondContact OE2-NH2 2.92Å; G144-R147 VanDerWaalsContact O-CB 3.22Å; G144-R147 WeakPolarHBondContact O-CB 3.5Å; G144-R147 PolarHBondContact O-N 2.67Å; V145-R147 VanDerWaalsContact C-N 3.33Å; R147-L149 PolarHBondContact O-N 3.47Å; R147-R150 WeakPolarHBondContact O-CB 3.48Å; R147-R150 PolarHBondContact O-N 3.43Å |
| 148 | P | 87.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -61.4 | -26.1 | 178.7 | -23.4 | 35.7 | 0 | 0 | 0 | 113.5 | F109 P110 C113 L136 I139 V140 V145 R150 | F109-P148 WeakPolarHBondContact CD1-O 3.29Å; F109-P148 WeakPolarHBondContact CE1-O 3.43Å; P110-P148 HydrophobicContact CB-CB 3.99Å; C113-P148 HydrophobicContact CB-CB 4.2Å; L136-P148 HydrophobicContact CD1-CB 4.49Å; L136-P148 HydrophobicContact CD1-CG 4.09Å; I139-P148 HydrophobicContact CG2-CG 4.08Å; V140-P148 HydrophobicContact CG2-CG 4.13Å; V145-P148 WeakPolarHBondContact O-CD 3.22Å; P148-R150 VanDerWaalsContact C-N 3.34Å |
| 149 | L | 89.7 | Confident | 87.8 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 29% | 0.293 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -84.3 | -0.8 | -178.4 | -61.4 | 176.8 | 0 | 0 | 0 | 114.2 | F109 P110 W146 R147 G151 L152 | F109-L149 HydrophobicContact CB-CD2 4.45Å; F109-L149 HydrophobicContact CD1-CD2 4.28Å; P110-L149 HydrophobicContact CG-CD2 3.9Å; W146-L149 HydrophobicContact CE3-CD1 3.86Å; W146-L149 HydrophobicContact CZ3-CD1 3.98Å; W146-L149 PolarHBondContact O-N 3.28Å; R147-L149 PolarHBondContact O-N 3.47Å; L149-G151 PolarHBondContact O-N 3.14Å; L149-L152 HydrophobicContact CD2-CD2 4.48Å; L149-L152 VanDerWaalsContact O-CB 3.24Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 3.34Å; L149-L152 VanDerWaalsContact O-N 3.16Å |
| 150 | R | 88.1 | Confident | 87.7 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 119 | -179.4 | -167.5 | -173.6 | -168.4 | 105.7 | -15.8 | 111.1 | R147 P148 M217 Y224 R225 | R147-R150 WeakPolarHBondContact O-CB 3.48Å; R147-R150 PolarHBondContact O-N 3.43Å; P148-R150 VanDerWaalsContact C-N 3.34Å; R150-M217 HydrophobicContact CG-CB 4.48Å; R150-M217 HydrophobicContact CG-CE 3.7Å; R150-Y224 PolarHBondContact NH2-O 2.84Å; R150-R225 PolarHBondContact NH2-O 2.82Å |
| 151 | G | 86.3 | Confident | 87.6 | Confident | 7 Ų | 7 | 56 Ų | 56 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | -7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | F109 L149 N153 A154 T155 | F109-G151 VanDerWaalsContact CZ-C 3.42Å; L149-G151 PolarHBondContact O-N 3.14Å; G151-N153 VanDerWaalsContact C-N 3.26Å; G151-N153 PolarHBondContact O-N 2.99Å; G151-A154 WeakPolarHBondContact O-CB 3.47Å; G151-A154 PolarHBondContact O-N 3.12Å; G151-T155 PolarHBondContact O-N 2.93Å |
| 152 | L | 89.5 | Confident | 87.4 | Confident | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.199 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.5 | -45.3 | -178.6 | 177.1 | 61.9 | 0 | 0 | 0 | 112.8 | C106 F109 L149 A154 T155 A156 | C106-L152 HydrophobicContact CB-CD1 4.33Å; F109-L152 HydrophobicContact CB-CD1 3.94Å; F109-L152 HydrophobicContact CD1-CB 4.25Å; F109-L152 HydrophobicContact CD1-CD1 4.46Å; F109-L152 HydrophobicContact CD2-CB 4.31Å; F109-L152 HydrophobicContact CD2-CD1 3.64Å; F109-L152 HydrophobicContact CE1-CB 4.19Å; F109-L152 HydrophobicContact CE2-CB 4.28Å; F109-L152 HydrophobicContact CE2-CD1 4.31Å; F109-L152 HydrophobicContact CG-CB 4.31Å; F109-L152 HydrophobicContact CG-CD1 3.74Å; F109-L152 HydrophobicContact CZ-CB 4.23Å; L149-L152 HydrophobicContact CD2-CD2 4.48Å; L149-L152 VanDerWaalsContact O-CB 3.24Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 3.34Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 3.46Å; L152-T155 PolarHBondContact O-N 3.44Å; L152-T155 VanDerWaalsContact O-N 3.07Å; L152-A156 PolarHBondContact O-N 3.45Å |
| 153 | N | 90.3 | Very high | 87.2 | Confident | 116 Ų | 116 | 48.5 Ų | 48.5 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.2 | -35.4 | -178.9 | -57.2 | 14.5 | 0 | 0 | 0 | 112.8 | G151 I157 | G151-N153 VanDerWaalsContact C-N 3.26Å; G151-N153 PolarHBondContact O-N 2.99Å; N153-I157 WeakPolarHBondContact O-CB 3.49Å; N153-I157 WeakPolarHBondContact O-CD1 3.23Å; N153-I157 WeakPolarHBondContact O-CG1 3.46Å; N153-I157 PolarHBondContact O-N 3.33Å; N153-I157 VanDerWaalsContact O-N 3.14Å |
| 154 | A | 89.1 | Confident | 87.1 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G151 L152 G158 A210 V213 V227 | G151-A154 WeakPolarHBondContact O-CB 3.47Å; G151-A154 PolarHBondContact O-N 3.12Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 3.46Å; A154-G158 PolarHBondContact O-N 3.39Å; A154-A210 WeakPolarHBondContact O-CB 3.31Å; A154-V213 HydrophobicContact CB-CB 4.4Å; A154-V213 HydrophobicContact CB-CG1 4.03Å; A154-V227 HydrophobicContact CB-CG1 3.79Å; A154-V227 HydrophobicContact CB-CG2 3.92Å |
| 155 | T | 87.4 | Confident | 87 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69 | -42.4 | 178.9 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | H105 F109 G151 L152 I157 G158 A159 M207 K214 | H105-T155 HydrophobicContact CB-CG2 3.88Å; F109-T155 HydrophobicContact CD2-CG2 4.47Å; F109-T155 HydrophobicContact CE2-CG2 4.4Å; F109-T155 WeakPolarHBondContact CE2-OG1 3.48Å; G151-T155 PolarHBondContact O-N 2.93Å; L152-T155 PolarHBondContact O-N 3.44Å; L152-T155 VanDerWaalsContact O-N 3.07Å; T155-I157 PolarHBondContact O-N 2.87Å; T155-G158 PolarHBondContact O-N 3Å; T155-A159 WeakPolarHBondContact O-CB 3.48Å; T155-A159 PolarHBondContact O-N 2.89Å; T155-M207 HydrophobicContact CG2-CE 3.69Å; T155-K214 HydrophobicContact CG2-CD 4.38Å; T155-K214 WeakPolarHBondContact OG1-CD 3.36Å |
| 156 | A | 88 | Confident | 86.8 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I102 L152 | I102-A156 HydrophobicContact CG2-CB 4.44Å; L152-A156 PolarHBondContact O-N 3.45Å |
| 157 | I | 89.1 | Confident | 86.4 | Confident | 133 Ų | 133 | 40.8 Ų | 40.8 | 68% | 0.682 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -68.8 | -39.4 | 176.8 | -67.8 | 167.9 | 0 | 0 | 0 | 111.5 | N153 T155 P161 | N153-I157 WeakPolarHBondContact O-CB 3.49Å; N153-I157 WeakPolarHBondContact O-CD1 3.23Å; N153-I157 WeakPolarHBondContact O-CG1 3.46Å; N153-I157 PolarHBondContact O-N 3.33Å; N153-I157 VanDerWaalsContact O-N 3.14Å; T155-I157 PolarHBondContact O-N 2.87Å; I157-P161 WeakPolarHBondContact O-CD 3.46Å |
| 158 | G | 86.6 | Confident | 86.1 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.5 | -35.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A154 T155 G160 A162 M207 | A154-G158 PolarHBondContact O-N 3.39Å; T155-G158 PolarHBondContact O-N 3Å; G158-G160 PolarHBondContact O-N 2.96Å; G158-A162 WeakPolarHBondContact O-CB 3.2Å; G158-A162 PolarHBondContact O-N 3.32Å; G158-M207 VanDerWaalsContact C-SD 3.57Å |
| 159 | A | 83.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I102 T155 A162 H163 M207 | I102-A159 HydrophobicContact CG1-CB 3.9Å; T155-A159 WeakPolarHBondContact O-CB 3.48Å; T155-A159 PolarHBondContact O-N 2.89Å; A159-A162 PolarHBondContact O-N 3.19Å; A159-H163 WeakPolarHBondContact O-CB 3.38Å; A159-H163 PolarHBondContact O-N 3.06Å; A159-H163 PolarHBondContact O-ND1 3.31Å; A159-M207 HydrophobicContact CB-CE 4.09Å |
| 160 | G | 84.6 | Confident | 85.4 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.6 | -58 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G158 A162 H163 A164 | G158-G160 PolarHBondContact O-N 2.96Å; G160-A162 VanDerWaalsContact C-N 3.34Å; G160-A162 PolarHBondContact O-N 3.16Å; G160-H163 PolarHBondContact O-N 2.66Å; G160-A164 WeakPolarHBondContact O-CB 3.47Å; G160-A164 PolarHBondContact O-N 2.92Å |
| 161 | P | 87.7 | Confident | 84.9 | Confident | 84 Ų | 84 | 37.5 Ų | 37.5 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 176.4 | -25.3 | 35.4 | 0 | 0 | 0 | 113.6 | I157 A164 L165 | I157-P161 WeakPolarHBondContact O-CD 3.46Å; P161-A164 PolarHBondContact O-N 3.16Å; P161-L165 WeakPolarHBondContact O-CB 3.31Å; P161-L165 PolarHBondContact O-N 3.46Å |
| 162 | A | 85.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G158 A159 G160 L165 Y166 H203 A206 M207 | G158-A162 WeakPolarHBondContact O-CB 3.2Å; G158-A162 PolarHBondContact O-N 3.32Å; A159-A162 PolarHBondContact O-N 3.19Å; G160-A162 VanDerWaalsContact C-N 3.34Å; G160-A162 PolarHBondContact O-N 3.16Å; A162-L165 PolarHBondContact O-N 3.33Å; A162-Y166 PolarHBondContact O-N 3.01Å; A162-H203 VanDerWaalsContact C-CD2 3.48Å; A162-H203 PolarHBondContact O-CD2 3.23Å; A162-A206 HydrophobicContact CB-CB 3.97Å; A162-M207 HydrophobicContact CB-CB 3.88Å; A162-M207 HydrophobicContact CB-SD 4.42Å |
| 163 | H | 82 | Confident | 84.3 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 13% | 0.125 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.9 | -40.5 | 177 | -74.7 | 74.4 | 0 | 0 | 0 | 111.9 | G101 H105 A159 G160 L165 Y166 F167 H203 | G101-H163 VanDerWaalsContact CA-CD2 3.47Å; G101-H163 WeakPolarHBondContact CA-CD2 3.48Å; G101-H163 WeakPolarHBondContact CA-NE2 3.48Å; H105-H163 AromaticContact CD2-CE1 3.78Å; H105-H163 AromaticContact NE2-CE1 3.54Å; A159-H163 WeakPolarHBondContact O-CB 3.38Å; A159-H163 PolarHBondContact O-N 3.06Å; A159-H163 PolarHBondContact O-ND1 3.31Å; G160-H163 PolarHBondContact O-N 2.66Å; H163-L165 VanDerWaalsContact C-N 3.26Å; H163-L165 PolarHBondContact O-N 2.91Å; H163-Y166 WeakPolarHBondContact O-CB 3.43Å; H163-Y166 PolarHBondContact O-N 3.05Å; H163-Y166 VanDerWaalsContact O-N 3.14Å; H163-F167 VanDerWaalsContact O-CD2 3.26Å; H163-F167 WeakPolarHBondContact O-CD2 3.25Å; H163-F167 PolarHBondContact O-N 3.46Å; H163-H203 AromaticContact CE1-NE2 3.34Å; H163-H203 PolarHBondContact CE1-NE2 3.4Å; H163-H203 VanDerWaalsContact CE1-NE2 3.34Å; H163-H203 AromaticContact ND1-NE2 3.54Å; H163-H203 AromaticContact NE2-NE2 3.96Å |
| 164 | A | 82.3 | Confident | 83.5 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.7 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | M94 A98 G160 P161 A168 | M94-A164 HydrophobicContact CE-CB 4.26Å; A98-A164 HydrophobicContact CB-CB 4.41Å; G160-A164 WeakPolarHBondContact O-CB 3.47Å; G160-A164 PolarHBondContact O-N 2.92Å; P161-A164 PolarHBondContact O-N 3.16Å; A164-A168 VanDerWaalsContact O-CB 3.23Å; A164-A168 WeakPolarHBondContact O-CB 3.45Å; A164-A168 PolarHBondContact O-N 3.14Å |
| 165 | L | 85.8 | Confident | 82.9 | Confident | 71 Ų | 71 | 46 Ų | 46 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.5 | -39.2 | 174.9 | -178.8 | 60.2 | 0 | 0 | 0 | 112.4 | P161 A162 H163 S169 L202 A206 | P161-L165 WeakPolarHBondContact O-CB 3.31Å; P161-L165 PolarHBondContact O-N 3.46Å; A162-L165 PolarHBondContact O-N 3.33Å; H163-L165 VanDerWaalsContact C-N 3.26Å; H163-L165 PolarHBondContact O-N 2.91Å; L165-S169 VanDerWaalsContact O-CB 3.3Å; L165-S169 WeakPolarHBondContact O-CB 3.41Å; L165-S169 PolarHBondContact O-N 3.01Å; L165-S169 PolarHBondContact O-OG 3.39Å; L165-L202 HydrophobicContact CD2-CB 4.09Å; L165-L202 WeakPolarHBondContact CD2-O 3.37Å; L165-L202 HydrophobicContact CG-CB 4.14Å; L165-A206 HydrophobicContact CD2-CB 4.15Å |
| 166 | Y | 83.8 | Confident | 82.5 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.2 | -58.6 | 173 | -179.7 | -94.5 | 0 | 0 | 0 | 111.1 | A162 H163 A168 S169 Y170 A199 H203 | A162-Y166 PolarHBondContact O-N 3.01Å; H163-Y166 WeakPolarHBondContact O-CB 3.43Å; H163-Y166 PolarHBondContact O-N 3.05Å; H163-Y166 VanDerWaalsContact O-N 3.14Å; Y166-A168 PolarHBondContact O-N 3.41Å; Y166-S169 PolarHBondContact O-N 3.19Å; Y166-S169 PolarHBondContact O-OG 2.86Å; Y166-S169 VanDerWaalsContact O-OG 3.07Å; Y166-Y170 VanDerWaalsContact O-CB 3.22Å; Y166-Y170 WeakPolarHBondContact O-CB 3.44Å; Y166-Y170 PolarHBondContact O-N 2.97Å; Y166-A199 HydrophobicContact CD2-CB 3.7Å; Y166-A199 HydrophobicContact CE2-CB 3.73Å; Y166-A199 HydrophobicContact CG-CB 4.37Å; Y166-H203 HydrophobicContact CD2-CB 4.17Å |
| 167 | F | 79.5 | Confident | 81.8 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | -176.3 | -74.5 | -76.4 | 0 | 0 | 0 | 112.5 | M94 H163 E171 | M94-F167 HydrophobicContact CG-CB 4.39Å; H163-F167 VanDerWaalsContact O-CD2 3.26Å; H163-F167 WeakPolarHBondContact O-CD2 3.25Å; H163-F167 PolarHBondContact O-N 3.46Å; F167-E171 WeakPolarHBondContact O-CB 3.34Å; F167-E171 PolarHBondContact O-N 3.34Å |
| 168 | A | 82.4 | Confident | 80.8 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 25% | 0.248 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M94 A164 Y166 K172 | M94-A168 HydrophobicContact CE-CB 3.82Å; M94-A168 HydrophobicContact CG-CB 4.06Å; M94-A168 HydrophobicContact SD-CB 3.7Å; A164-A168 VanDerWaalsContact O-CB 3.23Å; A164-A168 WeakPolarHBondContact O-CB 3.45Å; A164-A168 PolarHBondContact O-N 3.14Å; Y166-A168 PolarHBondContact O-N 3.41Å; A168-K172 WeakPolarHBondContact O-CB 3.42Å; A168-K172 PolarHBondContact O-N 3.45Å |
| 169 | S | 81.8 | Confident | 80.1 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.3 | -43.8 | 179 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | L165 Y166 E171 K172 L173 A199 | L165-S169 VanDerWaalsContact O-CB 3.3Å; L165-S169 WeakPolarHBondContact O-CB 3.41Å; L165-S169 PolarHBondContact O-N 3.01Å; L165-S169 PolarHBondContact O-OG 3.39Å; Y166-S169 PolarHBondContact O-N 3.19Å; Y166-S169 PolarHBondContact O-OG 2.86Å; Y166-S169 VanDerWaalsContact O-OG 3.07Å; S169-E171 PolarHBondContact O-N 3.05Å; S169-K172 PolarHBondContact O-N 3.07Å; S169-L173 VanDerWaalsContact O-CB 3.31Å; S169-L173 WeakPolarHBondContact O-CB 3.27Å; S169-L173 WeakPolarHBondContact O-CD1 3.43Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 3.28Å; S169-A199 WeakPolarHBondContact OG-CA 3.46Å; S169-A199 WeakPolarHBondContact OG-CB 3.27Å |
| 170 | Y | 79.8 | Confident | 79.4 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 16% | 0.161 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 175.9 | 179.9 | -98.6 | 0 | 0 | 0 | 112.1 | Y166 K172 L173 K174 A195 | Y166-Y170 VanDerWaalsContact O-CB 3.22Å; Y166-Y170 WeakPolarHBondContact O-CB 3.44Å; Y166-Y170 PolarHBondContact O-N 2.97Å; Y170-K172 PolarHBondContact O-N 3.47Å; Y170-L173 PolarHBondContact O-N 3.47Å; Y170-K174 HydrophobicContact CE1-CD 4.01Å; Y170-K174 WeakPolarHBondContact O-CB 3.41Å; Y170-K174 PolarHBondContact O-N 2.83Å; Y170-A195 HydrophobicContact CD2-CB 4.17Å; Y170-A195 HydrophobicContact CE2-CB 4.27Å |
| 171 | E | 77.6 | Confident | 78.5 | Confident | 23 Ų | 23 | 60 Ų | 60 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 176.8 | -91.2 | -164.5 | -128.4 | 0 | 0 | 112.4 | T90 H93 F167 S169 K175 | T90-E171 WeakPolarHBondContact CA-OE1 3.35Å; T90-E171 WeakPolarHBondContact CB-OE2 3.46Å; T90-E171 WeakPolarHBondContact CG2-OE2 3.45Å; T90-E171 PolarHBondContact OG1-OE2 2.92Å; H93-E171 VanDerWaalsContact CB-OE1 3.25Å; H93-E171 WeakPolarHBondContact CB-OE1 3.5Å; H93-E171 IonicContact CD2-OE1 3.44Å; H93-E171 IonicContact CG-OE1 3.48Å; H93-E171 VanDerWaalsContact CG-OE1 3.29Å; H93-E171 IonicContact ND1-OE1 2.71Å; H93-E171 PolarHBondContact ND1-OE1 3.34Å; F167-E171 WeakPolarHBondContact O-CB 3.34Å; F167-E171 PolarHBondContact O-N 3.34Å; S169-E171 PolarHBondContact O-N 3.05Å; E171-K175 WeakPolarHBondContact O-CB 3.46Å; E171-K175 WeakPolarHBondContact O-CD 3.26Å; E171-K175 VanDerWaalsContact O-CG 3.25Å; E171-K175 WeakPolarHBondContact O-CG 3.41Å; E171-K175 PolarHBondContact O-N 3.15Å; E171-K175 IonicContact OE2-NZ 2.73Å; E171-K175 PolarHBondContact OE2-NZ 2.58Å |
| 172 | K | 82.1 | Confident | 77 | Confident | 151 Ų | 151 | 64.2 Ų | 64.2 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | -179.5 | -173 | 175.2 | -178.9 | 178.9 | 0 | 111.2 | A168 S169 Y170 T176 | A168-K172 WeakPolarHBondContact O-CB 3.42Å; A168-K172 PolarHBondContact O-N 3.45Å; S169-K172 PolarHBondContact O-N 3.07Å; Y170-K172 PolarHBondContact O-N 3.47Å; K172-T176 WeakPolarHBondContact O-CB 3.37Å; K172-T176 PolarHBondContact O-N 3.47Å; K172-T176 PolarHBondContact O-OG1 2.85Å; K172-T176 VanDerWaalsContact O-OG1 3.08Å |
| 173 | L | 81.3 | Confident | 75.4 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 178.8 | -77.2 | 155.3 | 0 | 0 | 0 | 112.1 | S169 Y170 K175 T176 L177 A195 V198 | S169-L173 VanDerWaalsContact O-CB 3.31Å; S169-L173 WeakPolarHBondContact O-CB 3.27Å; S169-L173 WeakPolarHBondContact O-CD1 3.43Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 3.28Å; Y170-L173 PolarHBondContact O-N 3.47Å; L173-K175 VanDerWaalsContact C-N 3.35Å; L173-K175 PolarHBondContact O-N 3.16Å; L173-T176 PolarHBondContact O-N 2.94Å; L173-L177 VanDerWaalsContact O-CB 3.26Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.11Å; L173-A195 HydrophobicContact CB-CB 3.59Å; L173-V198 HydrophobicContact CD1-CB 3.78Å; L173-V198 HydrophobicContact CD1-CG1 3.6Å |
| 174 | K | 74.5 | Confident | 74.1 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 176 | -175.5 | 174.3 | 176.7 | 177.4 | 0 | 110.4 | D80 Y170 S178 | D80-K174 IonicContact OD2-NZ 3.92Å; D80-K174 PolarHBondContact OD2-NZ 3.02Å; Y170-K174 HydrophobicContact CE1-CD 4.01Å; Y170-K174 WeakPolarHBondContact O-CB 3.41Å; Y170-K174 PolarHBondContact O-N 2.83Å; K174-S178 WeakPolarHBondContact O-CB 3.02Å; K174-S178 PolarHBondContact O-N 3.18Å |
| 175 | K | 75.9 | Confident | 72.5 | Confident | 107 Ų | 107 | 75 Ų | 75 | 47% | 0.465 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59 | -61.3 | 175 | -71.1 | 164.3 | -179.8 | 164.7 | 0 | 111.1 | E171 L173 L177 S178 D179 | E171-K175 WeakPolarHBondContact O-CB 3.46Å; E171-K175 WeakPolarHBondContact O-CD 3.26Å; E171-K175 VanDerWaalsContact O-CG 3.25Å; E171-K175 WeakPolarHBondContact O-CG 3.41Å; E171-K175 PolarHBondContact O-N 3.15Å; E171-K175 IonicContact OE2-NZ 2.73Å; E171-K175 PolarHBondContact OE2-NZ 2.58Å; L173-K175 VanDerWaalsContact C-N 3.35Å; L173-K175 PolarHBondContact O-N 3.16Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.93Å; K175-S178 PolarHBondContact O-N 3.21Å; K175-S178 VanDerWaalsContact O-N 3.07Å; K175-D179 PolarHBondContact O-N 3.06Å; K175-D179 VanDerWaalsContact O-OD2 3.13Å |
| 176 | T | 79 | Confident | 70.9 | Confident | 75 Ų | 75 | 78.6 Ų | 78.6 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | -177.3 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | K172 L173 T180 | K172-T176 WeakPolarHBondContact O-CB 3.37Å; K172-T176 PolarHBondContact O-N 3.47Å; K172-T176 PolarHBondContact O-OG1 2.85Å; K172-T176 VanDerWaalsContact O-OG1 3.08Å; L173-T176 PolarHBondContact O-N 2.94Å; T176-T180 VanDerWaalsContact O-CB 3.3Å; T176-T180 WeakPolarHBondContact O-CB 3.15Å; T176-T180 PolarHBondContact O-N 2.88Å; T176-T180 VanDerWaalsContact O-N 3.09Å; T176-T180 PolarHBondContact O-OG1 3.36Å |
| 177 | L | 72.7 | Confident | 69.7 | Low | 44 Ų | 44 | 77 Ų | 77 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 177.3 | -74.3 | 162.7 | 0 | 0 | 0 | 112.4 | L173 K175 I181 N191 A194 A195 | L173-L177 VanDerWaalsContact O-CB 3.26Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.11Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.93Å; L177-I181 HydrophobicContact CD2-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CB 3.33Å; L177-I181 PolarHBondContact O-N 3.28Å; L177-N191 HydrophobicContact CB-CB 3.98Å; L177-N191 PolarHBondContact O-ND2 2.97Å; L177-A194 HydrophobicContact CD1-CB 4.37Å; L177-A195 HydrophobicContact CD1-CB 4.11Å |
| 178 | S | 69.7 | Low | 68.9 | Low | 60 Ų | 60 | 78.4 Ų | 78.4 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.5 | -35 | 173.9 | -165 | 0 | 0 | 0 | 0 | 112.4 | K174 K175 | K174-S178 WeakPolarHBondContact O-CB 3.02Å; K174-S178 PolarHBondContact O-N 3.18Å; K175-S178 PolarHBondContact O-N 3.21Å; K175-S178 VanDerWaalsContact O-N 3.07Å |
| 179 | D | 71 | Confident | 67.9 | Low | 131 Ų | 131 | 82.7 Ų | 82.7 | 70% | 0.701 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74.8 | -31.3 | 178.4 | -59.5 | -30.1 | 0 | 0 | 0 | 112.3 | K175 | K175-D179 PolarHBondContact O-N 3.06Å; K175-D179 VanDerWaalsContact O-OD2 3.13Å |
| 180 | T | 69.3 | Low | 67 | Low | 102 Ų | 102 | 85 Ų | 85 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -89.2 | -24.7 | -173.3 | -53.1 | 0 | 0 | 0 | 0 | 113.4 | T176 | T176-T180 VanDerWaalsContact O-CB 3.3Å; T176-T180 WeakPolarHBondContact O-CB 3.15Å; T176-T180 PolarHBondContact O-N 2.88Å; T176-T180 VanDerWaalsContact O-N 3.09Å; T176-T180 PolarHBondContact O-OG1 3.36Å |
| 181 | I | 65.8 | Low | 66.5 | Low | 67 Ų | 67 | 84 Ų | 84 | 34% | 0.344 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -114.9 | 115.4 | -173 | -63.7 | 167.6 | 0 | 0 | 0 | 109.1 | L177 N191 | L177-I181 HydrophobicContact CD2-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CB 3.33Å; L177-I181 PolarHBondContact O-N 3.28Å; I181-N191 WeakPolarHBondContact CD1-OD1 3.48Å |
| 182 | H | 55.5 | Low | 66.1 | Low | 173 Ų | 173 | 83.6 Ų | 83.6 | 80% | 0.801 | 48% | 0.477 | S | S | * | . | trans | -51.8 | 149.6 | -177 | -65.1 | -40.5 | 0 | 0 | 0 | 113.7 | G184 S187 | H182-G184 VanDerWaalsContact C-N 3.35Å; H182-G184 PolarHBondContact O-N 2.99Å; H182-S187 PolarHBondContact O-OG 3.22Å | ||
| 183 | P | 52.2 | Low | 65.5 | Low | 132 Ų | 132 | 77 Ų | 77 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | trans | -72.8 | 83.9 | -175.6 | 30.3 | -36.2 | 0 | 0 | 0 | 112 | ||||
| 184 | G | 53.8 | Low | 65 | Low | 42 Ų | 42 | 77.1 Ų | 77.1 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | trans | -95.3 | 139.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | H182 N186 S187 | H182-G184 VanDerWaalsContact C-N 3.35Å; H182-G184 PolarHBondContact O-N 2.99Å; G184-N186 PolarHBondContact O-N 3.31Å; G184-S187 PolarHBondContact O-N 2.82Å; G184-S187 PolarHBondContact O-OG 3.35Å | ||
| 185 | A | 50.2 | Low | 65.1 | Low | 101 Ų | 101 | 74.9 Ų | 74.9 | 84% | 0.835 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 186 | N | 51.5 | Low | 65.1 | Low | 146 Ų | 146 | 70.3 Ų | 70.3 | 78% | 0.781 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -7.1 | -179.8 | -61.3 | -23.8 | 0 | 0 | 0 | 114.4 | G184 | G184-N186 PolarHBondContact O-N 3.31Š|
| 187 | S | 58.1 | Low | 64.9 | Low | 26 Ų | 26 | 68.6 Ų | 68.6 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -80.1 | -33.3 | -175.2 | 64.7 | 0 | 0 | 0 | 0 | 113.4 | H182 G184 L189 A190 N191 | H182-S187 PolarHBondContact O-OG 3.22Å; G184-S187 PolarHBondContact O-N 2.82Å; G184-S187 PolarHBondContact O-OG 3.35Å; S187-L189 PolarHBondContact O-N 3.1Å; S187-A190 PolarHBondContact O-N 2.69Å; S187-N191 VanDerWaalsContact O-CB 3.28Å; S187-N191 WeakPolarHBondContact O-CB 3.49Å; S187-N191 PolarHBondContact O-N 3.46Å; S187-N191 PolarHBondContact O-ND2 3.39Å; S187-N191 PolarHBondContact O-OD1 3.02Å |
| 188 | H | 62.2 | Low | 65.4 | Low | 88 Ų | 88 | 69.7 Ų | 69.7 | 41% | 0.407 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | -174.3 | -175.1 | -106.4 | 0 | 0 | 0 | 113.3 | N191 A192 | H188-N191 PolarHBondContact O-N 3.34Å; H188-A192 WeakPolarHBondContact O-CB 3.16Å; H188-A192 PolarHBondContact O-N 3.16Å |
| 189 | L | 61.3 | Low | 65.9 | Low | 120 Ų | 120 | 66.8 Ų | 66.8 | 63% | 0.628 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 177 | -82.3 | 149 | 0 | 0 | 0 | 112.4 | S187 A192 G193 | S187-L189 PolarHBondContact O-N 3.1Å; L189-A192 PolarHBondContact O-N 3.22Å; L189-G193 PolarHBondContact O-N 3.34Å |
| 190 | A | 64.5 | Low | 66.4 | Low | 64 Ų | 64 | 62.2 Ų | 62.2 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S187 G193 A194 | S187-A190 PolarHBondContact O-N 2.69Å; A190-G193 PolarHBondContact O-N 3.1Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 2.84Å |
| 191 | N | 69.4 | Low | 67.1 | Low | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.107 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 176.7 | -70.2 | -8.6 | 0 | 0 | 0 | 111.9 | L177 I181 S187 H188 A194 A195 | L177-N191 HydrophobicContact CB-CB 3.98Å; L177-N191 PolarHBondContact O-ND2 2.97Å; I181-N191 WeakPolarHBondContact CD1-OD1 3.48Å; S187-N191 VanDerWaalsContact O-CB 3.28Å; S187-N191 WeakPolarHBondContact O-CB 3.49Å; S187-N191 PolarHBondContact O-N 3.46Å; S187-N191 PolarHBondContact O-ND2 3.39Å; S187-N191 PolarHBondContact O-OD1 3.02Å; H188-N191 PolarHBondContact O-N 3.34Å; N191-A194 PolarHBondContact O-N 3.15Å; N191-A195 WeakPolarHBondContact O-CB 3.27Å; N191-A195 PolarHBondContact O-N 2.86Å |
| 192 | A | 68 | Low | 68 | Low | 14 Ų | 14 | 59.9 Ų | 59.9 | 12% | 0.116 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H188 L189 A195 G196 | H188-A192 WeakPolarHBondContact O-CB 3.16Å; H188-A192 PolarHBondContact O-N 3.16Å; L189-A192 PolarHBondContact O-N 3.22Å; A192-A195 PolarHBondContact O-N 3.26Å; A192-G196 PolarHBondContact O-N 3.31Å |
| 193 | G | 69.1 | Low | 69.6 | Low | 13 Ų | 13 | 52.8 Ų | 52.8 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L189 A190 G196 C197 | L189-G193 PolarHBondContact O-N 3.34Å; A190-G193 PolarHBondContact O-N 3.1Å; G193-G196 PolarHBondContact O-N 2.98Å; G193-C197 PolarHBondContact O-N 3.41Å; G193-C197 PolarHBondContact O-SG 3.43Å; G193-C197 VanDerWaalsContact O-SG 3.39Å |
| 194 | A | 71.8 | Confident | 71.2 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 A190 N191 C197 V198 | L177-A194 HydrophobicContact CD1-CB 4.37Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 2.84Å; N191-A194 PolarHBondContact O-N 3.15Å; A194-C197 PolarHBondContact O-N 2.96Å; A194-V198 PolarHBondContact O-N 3.02Å; A194-V198 VanDerWaalsContact O-N 3.15Å |
| 195 | A | 76.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y170 L173 L177 N191 A192 V198 A199 | Y170-A195 HydrophobicContact CD2-CB 4.17Å; Y170-A195 HydrophobicContact CE2-CB 4.27Å; L173-A195 HydrophobicContact CB-CB 3.59Å; L177-A195 HydrophobicContact CD1-CB 4.11Å; N191-A195 WeakPolarHBondContact O-CB 3.27Å; N191-A195 PolarHBondContact O-N 2.86Å; A192-A195 PolarHBondContact O-N 3.26Å; A195-V198 PolarHBondContact O-N 3.09Å; A195-A199 WeakPolarHBondContact O-CB 3.32Å; A195-A199 PolarHBondContact O-N 2.91Å |
| 196 | G | 75.4 | Confident | 74.7 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A192 G193 V198 A199 T200 | A192-G196 PolarHBondContact O-N 3.31Å; G193-G196 PolarHBondContact O-N 2.98Å; G196-V198 PolarHBondContact O-N 3.41Å; G196-A199 PolarHBondContact O-N 3.06Å; G196-T200 WeakPolarHBondContact O-CB 3.5Å; G196-T200 PolarHBondContact O-N 3.37Å; G196-T200 PolarHBondContact O-OG1 3.26Å |
| 197 | C | 74.9 | Confident | 76.5 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.4 | -52.6 | 175.1 | -78.6 | 0 | 0 | 0 | 0 | 112 | G193 A194 T200 L201 | G193-C197 PolarHBondContact O-N 3.41Å; G193-C197 PolarHBondContact O-SG 3.43Å; G193-C197 VanDerWaalsContact O-SG 3.39Å; A194-C197 PolarHBondContact O-N 2.96Å; C197-T200 WeakPolarHBondContact O-CB 2.98Å; C197-T200 PolarHBondContact O-N 3.32Å; C197-L201 VanDerWaalsContact O-CG 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.5Å; C197-L201 PolarHBondContact O-N 3.5Å; C197-L201 VanDerWaalsContact O-N 3.08Å |
| 198 | V | 82.4 | Confident | 78 | Confident | 66 Ų | 66 | 35.5 Ų | 35.5 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -40.8 | -178.8 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | L173 A194 A195 G196 T200 L201 L202 | L173-V198 HydrophobicContact CD1-CB 3.78Å; L173-V198 HydrophobicContact CD1-CG1 3.6Å; A194-V198 PolarHBondContact O-N 3.02Å; A194-V198 VanDerWaalsContact O-N 3.15Å; A195-V198 PolarHBondContact O-N 3.09Å; G196-V198 PolarHBondContact O-N 3.41Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 3.05Å; V198-L201 PolarHBondContact O-N 3.33Å; V198-L202 HydrophobicContact CG1-CD1 4.43Å; V198-L202 PolarHBondContact O-N 2.97Å; V198-L202 VanDerWaalsContact O-N 3.13Å |
| 199 | A | 80.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y166 S169 A195 G196 L201 L202 H203 | Y166-A199 HydrophobicContact CD2-CB 3.7Å; Y166-A199 HydrophobicContact CE2-CB 3.73Å; Y166-A199 HydrophobicContact CG-CB 4.37Å; S169-A199 WeakPolarHBondContact OG-CA 3.46Å; S169-A199 WeakPolarHBondContact OG-CB 3.27Å; A195-A199 WeakPolarHBondContact O-CB 3.32Å; A195-A199 PolarHBondContact O-N 2.91Å; G196-A199 PolarHBondContact O-N 3.06Å; A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.25Å; A199-L202 PolarHBondContact O-N 3.03Å; A199-H203 WeakPolarHBondContact O-CB 3.16Å; A199-H203 PolarHBondContact O-N 3.35Å |
| 200 | T | 81.2 | Confident | 80.9 | Confident | 34 Ų | 34 | 27.7 Ų | 27.7 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 173.9 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | G196 C197 V198 D204 | G196-T200 WeakPolarHBondContact O-CB 3.5Å; G196-T200 PolarHBondContact O-N 3.37Å; G196-T200 PolarHBondContact O-OG1 3.26Å; C197-T200 WeakPolarHBondContact O-CB 2.98Å; C197-T200 PolarHBondContact O-N 3.32Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 3.05Å; T200-D204 WeakPolarHBondContact O-CB 3.29Å; T200-D204 PolarHBondContact O-N 3.5Å |
| 201 | L | 83.5 | Confident | 82 | Confident | 51 Ų | 51 | 26.4 Ų | 26.4 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.7 | -49.3 | -165.7 | 0 | 0 | 0 | 111.3 | C197 V198 A199 D204 A205 Y247 L251 | C197-L201 VanDerWaalsContact O-CG 3.28Å; C197-L201 WeakPolarHBondContact O-CG 3.5Å; C197-L201 PolarHBondContact O-N 3.5Å; C197-L201 VanDerWaalsContact O-N 3.08Å; V198-L201 PolarHBondContact O-N 3.33Å; A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.25Å; L201-D204 PolarHBondContact O-N 3.02Å; L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 3.11Å; L201-Y247 PolarHBondContact O-OH 2.97Å; L201-L251 HydrophobicContact CB-CD2 3.99Å; L201-L251 HydrophobicContact CD1-CD2 4.01Å; L201-L251 HydrophobicContact CD2-CD2 3.67Å; L201-L251 HydrophobicContact CG-CD2 4.05Å |
| 202 | L | 86.4 | Confident | 82.9 | Confident | 70 Ų | 70 | 25.4 Ų | 25.4 | 37% | 0.366 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.9 | -41.5 | 177.8 | -67.3 | 173.1 | 0 | 0 | 0 | 112.2 | L165 V198 A199 A205 A206 | L165-L202 HydrophobicContact CD2-CB 4.09Å; L165-L202 WeakPolarHBondContact CD2-O 3.37Å; L165-L202 HydrophobicContact CG-CB 4.14Å; V198-L202 HydrophobicContact CG1-CD1 4.43Å; V198-L202 PolarHBondContact O-N 2.97Å; V198-L202 VanDerWaalsContact O-N 3.13Å; A199-L202 PolarHBondContact O-N 3.03Å; L202-A205 PolarHBondContact O-N 3.41Å; L202-A206 PolarHBondContact O-N 2.99Å |
| 203 | H | 87.6 | Confident | 84.1 | Confident | 23 Ų | 23 | 25 Ų | 25 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -52.9 | -54 | 169.5 | 170.1 | -86.7 | 0 | 0 | 0 | 111 | A162 H163 Y166 A199 A205 A206 M207 | A162-H203 VanDerWaalsContact C-CD2 3.48Å; A162-H203 PolarHBondContact O-CD2 3.23Å; H163-H203 AromaticContact CE1-NE2 3.34Å; H163-H203 PolarHBondContact CE1-NE2 3.4Å; H163-H203 VanDerWaalsContact CE1-NE2 3.34Å; H163-H203 AromaticContact ND1-NE2 3.54Å; H163-H203 AromaticContact NE2-NE2 3.96Å; Y166-H203 HydrophobicContact CD2-CB 4.17Å; A199-H203 WeakPolarHBondContact O-CB 3.16Å; A199-H203 PolarHBondContact O-N 3.35Å; H203-A205 VanDerWaalsContact C-N 3.31Å; H203-A205 PolarHBondContact O-N 3.5Å; H203-A206 PolarHBondContact O-N 3.31Å; H203-A206 VanDerWaalsContact O-N 3.09Å; H203-M207 WeakPolarHBondContact O-CB 3.19Å; H203-M207 PolarHBondContact O-N 3.4Å |
| 204 | D | 85.9 | Confident | 85.1 | Confident | 16 Ų | 16 | 25 Ų | 25 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -34.5 | -175.9 | -81.3 | 17.5 | 0 | 0 | 0 | 112 | T200 L201 A206 M207 N208 Y247 Q250 N254 | T200-D204 WeakPolarHBondContact O-CB 3.29Å; T200-D204 PolarHBondContact O-N 3.5Å; L201-D204 PolarHBondContact O-N 3.02Å; D204-A206 VanDerWaalsContact C-N 3.31Å; D204-A206 PolarHBondContact O-N 2.92Å; D204-M207 PolarHBondContact O-N 3.26Å; D204-N208 VanDerWaalsContact O-CB 3.27Å; D204-N208 WeakPolarHBondContact O-CB 3.29Å; D204-N208 PolarHBondContact O-N 3Å; D204-Y247 HydrophobicContact CB-CE2 4.32Å; D204-Q250 HydrophobicContact CB-CG 4.24Å; D204-Q250 WeakPolarHBondContact OD2-CG 3.35Å; D204-Q250 PolarHBondContact OD2-NE2 3.42Å; D204-N254 PolarHBondContact OD2-ND2 3.48Å |
| 205 | A | 88.7 | Confident | 85.9 | Confident | 26 Ų | 26 | 23.4 Ų | 23.4 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | L201 L202 H203 Y244 Y247 | L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 3.11Å; L202-A205 PolarHBondContact O-N 3.41Å; H203-A205 VanDerWaalsContact C-N 3.31Å; H203-A205 PolarHBondContact O-N 3.5Å; A205-Y244 WeakPolarHBondContact O-CE1 3.33Å; A205-Y244 PolarHBondContact O-OH 3.02Å; A205-Y247 HydrophobicContact CB-CE2 3.93Å |
| 206 | A | 90.3 | Very high | 86.5 | Confident | 38 Ų | 38 | 23.9 Ų | 23.9 | 31% | 0.314 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -74.5 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A162 L165 L202 H203 D204 | A162-A206 HydrophobicContact CB-CB 3.97Å; L165-A206 HydrophobicContact CD2-CB 4.15Å; L202-A206 PolarHBondContact O-N 2.99Å; H203-A206 PolarHBondContact O-N 3.31Å; H203-A206 VanDerWaalsContact O-N 3.09Å; D204-A206 VanDerWaalsContact C-N 3.31Å; D204-A206 PolarHBondContact O-N 2.92Å |
| 207 | M | 88.4 | Confident | 87.1 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -83.9 | -27.9 | -174.1 | -167 | 52.4 | 166.3 | 0 | 0 | 113.8 | T155 G158 A159 A162 H203 D204 P209 A210 E211 | T155-M207 HydrophobicContact CG2-CE 3.69Å; G158-M207 VanDerWaalsContact C-SD 3.57Å; A159-M207 HydrophobicContact CB-CE 4.09Å; A162-M207 HydrophobicContact CB-CB 3.88Å; A162-M207 HydrophobicContact CB-SD 4.42Å; H203-M207 WeakPolarHBondContact O-CB 3.19Å; H203-M207 PolarHBondContact O-N 3.4Å; D204-M207 PolarHBondContact O-N 3.26Å; M207-P209 VanDerWaalsContact C-CD 3.5Å; M207-A210 WeakPolarHBondContact O-CB 3.27Å; M207-A210 PolarHBondContact O-N 3.04Å; M207-A210 HydrophobicContact SD-CB 4.1Å; M207-E211 HydrophobicContact CG-CG 4.09Å; M207-E211 PolarHBondContact O-N 3.46Å |
| 208 | N | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56 | -39.2 | -171.4 | -163.5 | 63.5 | 0 | 0 | 0 | 114.8 | D204 A210 E211 V212 F243 S246 Q250 | D204-N208 VanDerWaalsContact O-CB 3.27Å; D204-N208 WeakPolarHBondContact O-CB 3.29Å; D204-N208 PolarHBondContact O-N 3Å; N208-A210 VanDerWaalsContact C-N 3.3Å; N208-A210 PolarHBondContact O-N 2.6Å; N208-E211 WeakPolarHBondContact O-CB 3.41Å; N208-E211 PolarHBondContact O-N 3.19Å; N208-E211 VanDerWaalsContact O-N 3.15Å; N208-V212 VanDerWaalsContact O-CG2 3.27Å; N208-V212 WeakPolarHBondContact O-CG2 3.44Å; N208-V212 PolarHBondContact O-N 2.76Å; N208-F243 PolarHBondContact ND2-O 3.05Å; N208-S246 PolarHBondContact ND2-OG 2.95Å; N208-S246 PolarHBondContact OD1-OG 3.16Å; N208-Q250 PolarHBondContact OD1-OE1 3.34Å; N208-Q250 VanDerWaalsContact OD1-OE1 3.11Å |
| 209 | P | 91.9 | Very high | 87.8 | Confident | 33 Ų | 33 | 19.9 Ų | 19.9 | 21% | 0.214 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60 | -38.4 | 175 | -25 | 35.6 | 0 | 0 | 0 | 113.3 | M207 V213 F243 Y244 | M207-P209 VanDerWaalsContact C-CD 3.5Å; P209-V213 WeakPolarHBondContact O-CG2 3.32Å; P209-V213 PolarHBondContact O-N 3.32Å; P209-F243 HydrophobicContact CB-CB 4.27Å; P209-F243 HydrophobicContact CB-CD1 4.16Å; P209-F243 HydrophobicContact CG-CB 4.45Å; P209-Y244 HydrophobicContact CG-CE1 4.36Å; P209-Y244 HydrophobicContact CG-CE2 3.98Å; P209-Y244 WeakPolarHBondContact CG-OH 3.38Å |
| 210 | A | 91.5 | Very high | 87.7 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.6 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A154 M207 N208 K214 | A154-A210 WeakPolarHBondContact O-CB 3.31Å; M207-A210 WeakPolarHBondContact O-CB 3.27Å; M207-A210 PolarHBondContact O-N 3.04Å; M207-A210 HydrophobicContact SD-CB 4.1Å; N208-A210 VanDerWaalsContact C-N 3.3Å; N208-A210 PolarHBondContact O-N 2.6Å; A210-K214 WeakPolarHBondContact O-CB 3.49Å; A210-K214 PolarHBondContact O-N 2.93Å |
| 211 | E | 87.9 | Confident | 87.7 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 17% | 0.173 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 173.1 | -65 | -159.4 | 113.5 | 0 | 0 | 112.9 | M207 N208 V213 K214 Q215 Q250 K305 | M207-E211 HydrophobicContact CG-CG 4.09Å; M207-E211 PolarHBondContact O-N 3.46Å; N208-E211 WeakPolarHBondContact O-CB 3.41Å; N208-E211 PolarHBondContact O-N 3.19Å; N208-E211 VanDerWaalsContact O-N 3.15Å; E211-V213 VanDerWaalsContact C-N 3.33Å; E211-V213 PolarHBondContact O-N 3.37Å; E211-K214 WeakPolarHBondContact O-CB 3.28Å; E211-K214 PolarHBondContact O-N 2.94Å; E211-Q215 WeakPolarHBondContact O-CB 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.32Å; E211-Q215 PolarHBondContact O-N 3.2Å; E211-Q250 PolarHBondContact OE2-NE2 2.71Å; E211-K305 IonicContact OE1-NZ 3.21Å; E211-K305 PolarHBondContact OE1-NZ 3.21Å; E211-K305 WeakPolarHBondContact OE2-CE 3.35Å; E211-K305 IonicContact OE2-NZ 2.79Å; E211-K305 PolarHBondContact OE2-NZ 3.39Å |
| 212 | V | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 178.5 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | N208 R216 F243 N309 | N208-V212 VanDerWaalsContact O-CG2 3.27Å; N208-V212 WeakPolarHBondContact O-CG2 3.44Å; N208-V212 PolarHBondContact O-N 2.76Å; V212-R216 WeakPolarHBondContact O-CB 3.31Å; V212-R216 WeakPolarHBondContact O-CD 2.96Å; V212-R216 VanDerWaalsContact O-CG 3.29Å; V212-R216 WeakPolarHBondContact O-CG 3.38Å; V212-R216 PolarHBondContact O-N 3.44Å; V212-F243 HydrophobicContact CG1-CD1 4.47Å; V212-N309 WeakPolarHBondContact CG2-OD1 3.42Å |
| 213 | V | 91.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -47.2 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | A154 P209 E211 Q215 R216 M217 V227 C230 V231 F243 | A154-V213 HydrophobicContact CB-CB 4.4Å; A154-V213 HydrophobicContact CB-CG1 4.03Å; P209-V213 WeakPolarHBondContact O-CG2 3.32Å; P209-V213 PolarHBondContact O-N 3.32Å; E211-V213 VanDerWaalsContact C-N 3.33Å; E211-V213 PolarHBondContact O-N 3.37Å; V213-Q215 PolarHBondContact O-N 3.17Å; V213-R216 PolarHBondContact O-N 3.34Å; V213-M217 HydrophobicContact CG1-CG 4.23Å; V213-M217 HydrophobicContact CG1-SD 4.23Å; V213-M217 WeakPolarHBondContact O-CB 3.36Å; V213-M217 VanDerWaalsContact O-CG 3.32Å; V213-M217 WeakPolarHBondContact O-CG 3.16Å; V213-M217 PolarHBondContact O-N 2.88Å; V213-V227 HydrophobicContact CG1-CG1 4.2Å; V213-C230 HydrophobicContact CG1-CB 4.13Å; V213-V231 HydrophobicContact CG2-CG2 3.63Å; V213-F243 HydrophobicContact CG2-CE1 3.99Å |
| 214 | K | 90.7 | Very high | 87.5 | Confident | 15 Ų | 15 | 28.3 Ų | 28.3 | 7% | 0.065 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -50.5 | -56.7 | 175.7 | 175 | -171 | -174.1 | 173.9 | 0 | 111.2 | F109 D112 T155 A210 E211 R216 M217 Q218 | F109-K214 HydrophobicContact CE2-CD 4.08Å; F109-K214 HydrophobicContact CE2-CG 3.89Å; F109-K214 HydrophobicContact CZ-CG 4.04Å; D112-K214 IonicContact OD2-NZ 3.98Å; D112-K214 PolarHBondContact OD2-NZ 2.93Å; T155-K214 HydrophobicContact CG2-CD 4.38Å; T155-K214 WeakPolarHBondContact OG1-CD 3.36Å; A210-K214 WeakPolarHBondContact O-CB 3.49Å; A210-K214 PolarHBondContact O-N 2.93Å; E211-K214 WeakPolarHBondContact O-CB 3.28Å; E211-K214 PolarHBondContact O-N 2.94Å; K214-R216 PolarHBondContact O-N 2.91Å; K214-M217 PolarHBondContact O-N 3.18Å; K214-Q218 WeakPolarHBondContact O-CB 3.44Å; K214-Q218 WeakPolarHBondContact O-CG 3.26Å; K214-Q218 PolarHBondContact O-N 3.41Å |
| 215 | Q | 88.2 | Confident | 87.5 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | -175.1 | -69.1 | -178.1 | 15.1 | 0 | 0 | 111.3 | T116 E211 V213 M217 Q218 M219 N309 T310 | T116-Q215 HydrophobicContact CG2-CB 4.09Å; T116-Q215 HydrophobicContact CG2-CG 4.2Å; E211-Q215 WeakPolarHBondContact O-CB 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.32Å; E211-Q215 PolarHBondContact O-N 3.2Å; V213-Q215 PolarHBondContact O-N 3.17Å; Q215-M217 PolarHBondContact O-N 3.13Å; Q215-Q218 PolarHBondContact O-N 3.03Å; Q215-M219 WeakPolarHBondContact O-CG 3.39Å; Q215-M219 PolarHBondContact O-N 2.9Å; Q215-N309 HydrophobicContact CB-CB 4.48Å; Q215-N309 PolarHBondContact NE2-ND2 3.2Å; Q215-N309 PolarHBondContact OE1-ND2 3.48Å; Q215-T310 HydrophobicContact CB-CG2 4.27Å |
| 216 | R | 89.1 | Confident | 87.6 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.038 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -35.7 | 176.4 | -74.1 | 172.6 | 178.3 | -111.4 | 10.2 | 113.7 | V212 V213 K214 S222 Y224 E238 N309 | V212-R216 WeakPolarHBondContact O-CB 3.31Å; V212-R216 WeakPolarHBondContact O-CD 2.96Å; V212-R216 VanDerWaalsContact O-CG 3.29Å; V212-R216 WeakPolarHBondContact O-CG 3.38Å; V212-R216 PolarHBondContact O-N 3.44Å; V213-R216 PolarHBondContact O-N 3.34Å; K214-R216 PolarHBondContact O-N 2.91Å; R216-S222 WeakPolarHBondContact O-CB 3.49Å; R216-S222 PolarHBondContact O-OG 3.01Å; R216-Y224 HydrophobicContact CB-CD2 4.48Å; R216-Y224 HydrophobicContact CB-CE2 4.05Å; R216-E238 IonicContact CZ-OE1 3.19Å; R216-E238 VanDerWaalsContact CZ-OE1 3.24Å; R216-E238 IonicContact CZ-OE2 2.95Å; R216-E238 IonicContact NH1-OE1 3.01Å; R216-E238 PolarHBondContact NH1-OE1 3.2Å; R216-E238 VanDerWaalsContact NH2-CD 3.26Å; R216-E238 IonicContact NH2-OE1 3.27Å; R216-E238 PolarHBondContact NH2-OE1 2.93Å; R216-E238 IonicContact NH2-OE2 2.86Å; R216-E238 PolarHBondContact NH2-OE2 3.36Å; R216-N309 PolarHBondContact NE-O 2.96Å; R216-N309 PolarHBondContact NH2-O 2.9Å |
| 217 | M | 89.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74 | -29.2 | 175.8 | -71 | -157.8 | 83.9 | 0 | 0 | 113.3 | R150 V213 K214 Q215 V227 C230 | R150-M217 HydrophobicContact CG-CB 4.48Å; R150-M217 HydrophobicContact CG-CE 3.7Å; V213-M217 HydrophobicContact CG1-CG 4.23Å; V213-M217 HydrophobicContact CG1-SD 4.23Å; V213-M217 WeakPolarHBondContact O-CB 3.36Å; V213-M217 VanDerWaalsContact O-CG 3.32Å; V213-M217 WeakPolarHBondContact O-CG 3.16Å; V213-M217 PolarHBondContact O-N 2.88Å; K214-M217 PolarHBondContact O-N 3.18Å; Q215-M217 PolarHBondContact O-N 3.13Å; M217-V227 HydrophobicContact SD-CB 4.31Å; M217-V227 HydrophobicContact SD-CG2 3.62Å; M217-C230 HydrophobicContact CG-CB 4.22Å |
| 218 | Q | 87.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -80 | -18 | -179.6 | -73.8 | 178.3 | -30 | 0 | 0 | 113.8 | F109 C113 R117 K214 Q215 | F109-Q218 HydrophobicContact CE1-CG 4.48Å; F109-Q218 HydrophobicContact CZ-CG 4.47Å; F109-Q218 VanDerWaalsContact CZ-NE2 3.27Å; C113-Q218 HydrophobicContact CB-CG 4.12Å; R117-Q218 PolarHBondContact NE-O 3.45Å; R117-Q218 PolarHBondContact NH2-O 3.14Å; K214-Q218 WeakPolarHBondContact O-CB 3.44Å; K214-Q218 WeakPolarHBondContact O-CG 3.26Å; K214-Q218 PolarHBondContact O-N 3.41Å; Q215-Q218 PolarHBondContact O-N 3.03Å |
| 219 | M | 83.7 | Confident | 88 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -55.3 | 147.9 | 177.4 | -66 | -55.2 | -83.3 | 0 | 0 | 113.8 | T116 S120 Q215 K221 S222 T310 E312 | T116-M219 HydrophobicContact CG2-SD 4.08Å; S120-M219 VanDerWaalsContact OG-CE 3.27Å; S120-M219 WeakPolarHBondContact OG-CE 3.13Å; Q215-M219 WeakPolarHBondContact O-CG 3.39Å; Q215-M219 PolarHBondContact O-N 2.9Å; M219-K221 PolarHBondContact O-N 3.48Å; M219-S222 WeakPolarHBondContact O-CB 3.38Å; M219-S222 PolarHBondContact O-N 3.47Å; M219-T310 HydrophobicContact CE-CG2 4.03Å; M219-T310 HydrophobicContact CG-CG2 4.03Å; M219-T310 HydrophobicContact SD-CG2 3.45Å; M219-T310 WeakPolarHBondContact SD-CG2 3.09Å; M219-E312 HydrophobicContact CE-CG 3.9Å |
| 220 | F | 79.1 | Confident | 88 | Confident | 56 Ų | 56 | 47 Ų | 47 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.3 | 171.9 | -177.2 | -113.8 | 0 | 0 | 0 | 110.6 | D124 E143 S222 | D124-F220 HydrophobicContact CB-CD1 3.81Å; D124-F220 HydrophobicContact CB-CD2 4.16Å; D124-F220 HydrophobicContact CB-CE1 3.62Å; D124-F220 HydrophobicContact CB-CE2 4Å; D124-F220 HydrophobicContact CB-CG 4.05Å; D124-F220 HydrophobicContact CB-CZ 3.72Å; E143-F220 WeakPolarHBondContact OE1-CD2 3.42Å; F220-S222 PolarHBondContact O-N 2.93Å |
| 221 | K | 80.1 | Confident | 88.1 | Confident | 160 Ų | 160 | 48.9 Ų | 48.9 | 70% | 0.696 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 32.1 | -175.5 | -68.4 | 176.7 | 176.9 | 173.7 | 0 | 114.4 | M219 | M219-K221 PolarHBondContact O-N 3.48Š|
| 222 | S | 82.8 | Confident | 88.3 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | trans | -48.2 | 127.1 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | R216 M219 F220 Y224 | R216-S222 WeakPolarHBondContact O-CB 3.49Å; R216-S222 PolarHBondContact O-OG 3.01Å; M219-S222 WeakPolarHBondContact O-CB 3.38Å; M219-S222 PolarHBondContact O-N 3.47Å; F220-S222 PolarHBondContact O-N 2.93Å; S222-Y224 VanDerWaalsContact C-N 3.29Å; S222-Y224 PolarHBondContact O-N 3.34Å | ||
| 223 | P | 84 | Confident | 88.4 | Confident | 101 Ų | 101 | 48.8 Ų | 48.8 | 66% | 0.656 | 25% | 0.252 | S | S | * | . | trans | -75.9 | -15.7 | -171.2 | 30.9 | -36.7 | 0 | 0 | 0 | 113.5 | ||||
| 224 | Y | 87.8 | Confident | 88.3 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | trans | -82.4 | 128.3 | -173.4 | -48.4 | -70.4 | 0 | 0 | 0 | 111.5 | R150 R216 S222 D229 C230 A233 | R150-Y224 PolarHBondContact NH2-O 2.84Å; R216-Y224 HydrophobicContact CB-CD2 4.48Å; R216-Y224 HydrophobicContact CB-CE2 4.05Å; S222-Y224 VanDerWaalsContact C-N 3.29Å; S222-Y224 PolarHBondContact O-N 3.34Å; Y224-D229 VanDerWaalsContact CA-OD2 3.31Å; Y224-D229 WeakPolarHBondContact CA-OD2 3.29Å; Y224-C230 HydrophobicContact CD1-CB 4.09Å; Y224-C230 HydrophobicContact CD2-CB 4.09Å; Y224-C230 VanDerWaalsContact CD2-SG 3.51Å; Y224-C230 HydrophobicContact CG-CB 3.72Å; Y224-A233 HydrophobicContact CD1-CB 4.03Å; Y224-A233 HydrophobicContact CE1-CB 3.61Å | ||
| 225 | R | 85.6 | Confident | 88.4 | Confident | 223 Ų | 223 | 55 Ų | 55 | 84% | 0.842 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -70.9 | -35.3 | 178.9 | -70.3 | -174.8 | 171.7 | -165.3 | -2.5 | 112.7 | R150 D229 | R150-R225 PolarHBondContact NH2-O 2.82Å; R225-D229 PolarHBondContact N-OD2 2.86Å |
| 226 | G | 89.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -154.4 | 177.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | D229 C230 | G226-D229 PolarHBondContact O-N 3.4Å; G226-C230 WeakPolarHBondContact O-CB 3.2Å; G226-C230 PolarHBondContact O-N 3.49Å |
| 227 | V | 91.9 | Very high | 88.3 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -50.8 | -179.6 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | A154 V213 M217 D229 C230 V231 | A154-V227 HydrophobicContact CB-CG1 3.79Å; A154-V227 HydrophobicContact CB-CG2 3.92Å; V213-V227 HydrophobicContact CG1-CG1 4.2Å; M217-V227 HydrophobicContact SD-CB 4.31Å; M217-V227 HydrophobicContact SD-CG2 3.62Å; V227-D229 PolarHBondContact O-N 3.19Å; V227-C230 WeakPolarHBondContact O-CB 3.47Å; V227-C230 PolarHBondContact O-N 3.49Å; V227-V231 WeakPolarHBondContact O-CG2 3.44Å; V227-V231 PolarHBondContact O-N 3.32Å |
| 228 | L | 92.9 | Very high | 88 | Confident | 148 Ų | 148 | 71.9 Ų | 71.9 | 78% | 0.775 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | -177.9 | -60.1 | 178.3 | 0 | 0 | 0 | 112.6 | V231 G232 | L228-V231 PolarHBondContact O-N 3Å; L228-G232 PolarHBondContact O-N 3.45Å |
| 229 | D | 93.1 | Very high | 88 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 40% | 0.401 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 173 | 174.3 | 47.7 | 0 | 0 | 0 | 111.3 | Y224 R225 G226 V227 A233 | Y224-D229 VanDerWaalsContact CA-OD2 3.31Å; Y224-D229 WeakPolarHBondContact CA-OD2 3.29Å; R225-D229 PolarHBondContact N-OD2 2.86Å; G226-D229 PolarHBondContact O-N 3.4Å; V227-D229 PolarHBondContact O-N 3.19Å; D229-A233 WeakPolarHBondContact O-CB 3.25Å; D229-A233 PolarHBondContact O-N 3.03Å |
| 230 | C | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 172.8 | -168.7 | 0 | 0 | 0 | 0 | 112.2 | V213 M217 Y224 G226 V227 A233 V234 | V213-C230 HydrophobicContact CG1-CB 4.13Å; M217-C230 HydrophobicContact CG-CB 4.22Å; Y224-C230 HydrophobicContact CD1-CB 4.09Å; Y224-C230 HydrophobicContact CD2-CB 4.09Å; Y224-C230 VanDerWaalsContact CD2-SG 3.51Å; Y224-C230 HydrophobicContact CG-CB 3.72Å; G226-C230 WeakPolarHBondContact O-CB 3.2Å; G226-C230 PolarHBondContact O-N 3.49Å; V227-C230 WeakPolarHBondContact O-CB 3.47Å; V227-C230 PolarHBondContact O-N 3.49Å; C230-A233 PolarHBondContact O-N 2.89Å; C230-V234 WeakPolarHBondContact O-CB 3.37Å; C230-V234 VanDerWaalsContact O-CG2 3.26Å; C230-V234 WeakPolarHBondContact O-CG2 3.44Å; C230-V234 PolarHBondContact O-N 3.39Å |
| 231 | V | 93.2 | Very high | 88.6 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 32% | 0.315 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.7 | -51 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | V213 V227 L228 A233 V234 W235 F243 | V213-V231 HydrophobicContact CG2-CG2 3.63Å; V227-V231 WeakPolarHBondContact O-CG2 3.44Å; V227-V231 PolarHBondContact O-N 3.32Å; L228-V231 PolarHBondContact O-N 3Å; V231-A233 PolarHBondContact O-N 3.44Å; V231-V234 PolarHBondContact O-N 3.27Å; V231-W235 VanDerWaalsContact O-CB 3.29Å; V231-W235 WeakPolarHBondContact O-CB 3.48Å; V231-W235 PolarHBondContact O-N 3.07Å; V231-F243 HydrophobicContact CG1-CZ 4.15Å |
| 232 | G | 93.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 27% | 0.268 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L228 W235 Q236 | L228-G232 PolarHBondContact O-N 3.45Å; G232-W235 PolarHBondContact O-N 2.9Å; G232-Q236 WeakPolarHBondContact O-CB 3.42Å; G232-Q236 VanDerWaalsContact O-CG 3.27Å; G232-Q236 WeakPolarHBondContact O-CG 3.47Å; G232-Q236 PolarHBondContact O-N 2.98Å |
| 233 | A | 90.2 | Very high | 89.2 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y224 D229 C230 V231 R237 | Y224-A233 HydrophobicContact CD1-CB 4.03Å; Y224-A233 HydrophobicContact CE1-CB 3.61Å; D229-A233 WeakPolarHBondContact O-CB 3.25Å; D229-A233 PolarHBondContact O-N 3.03Å; C230-A233 PolarHBondContact O-N 2.89Å; V231-A233 PolarHBondContact O-N 3.44Å; A233-R237 WeakPolarHBondContact O-CB 3.3Å; A233-R237 VanDerWaalsContact O-CG 3.22Å; A233-R237 WeakPolarHBondContact O-CG 3.48Å; A233-R237 PolarHBondContact O-N 3.27Å |
| 234 | V | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 173 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | C230 V231 Q236 R237 E238 G239 A242 F243 | C230-V234 WeakPolarHBondContact O-CB 3.37Å; C230-V234 VanDerWaalsContact O-CG2 3.26Å; C230-V234 WeakPolarHBondContact O-CG2 3.44Å; C230-V234 PolarHBondContact O-N 3.39Å; V231-V234 PolarHBondContact O-N 3.27Å; V234-Q236 PolarHBondContact O-N 2.92Å; V234-R237 PolarHBondContact O-N 2.96Å; V234-E238 WeakPolarHBondContact O-CA 3.34Å; V234-E238 WeakPolarHBondContact O-CB 3.26Å; V234-E238 PolarHBondContact O-N 3.47Å; V234-G239 PolarHBondContact O-N 3.43Å; V234-A242 HydrophobicContact CG1-CB 3.71Å; V234-F243 HydrophobicContact CB-CE1 4.49Å; V234-F243 HydrophobicContact CB-CE2 4.41Å; V234-F243 HydrophobicContact CB-CZ 3.93Å; V234-F243 HydrophobicContact CG1-CD2 4.35Å; V234-F243 HydrophobicContact CG1-CE1 4.11Å; V234-F243 HydrophobicContact CG1-CE2 3.79Å; V234-F243 HydrophobicContact CG1-CZ 3.66Å |
| 235 | W | 92.4 | Very high | 89.1 | Confident | 150 Ų | 150 | 69.5 Ų | 69.5 | 57% | 0.568 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58 | -47.1 | 177.8 | -173.5 | -80.4 | 0 | 0 | 0 | 112.3 | V231 G232 G239 P240 F243 | V231-W235 VanDerWaalsContact O-CB 3.29Å; V231-W235 WeakPolarHBondContact O-CB 3.48Å; V231-W235 PolarHBondContact O-N 3.07Å; G232-W235 PolarHBondContact O-N 2.9Å; W235-G239 VanDerWaalsContact O-CA 3.23Å; W235-G239 WeakPolarHBondContact O-CA 3.45Å; W235-G239 PolarHBondContact O-N 3.44Å; W235-G239 VanDerWaalsContact O-N 3.14Å; W235-P240 HydrophobicContact CE3-CB 4.2Å; W235-P240 HydrophobicContact CH2-CB 3.88Å; W235-P240 HydrophobicContact CZ2-CB 4.4Å; W235-P240 HydrophobicContact CZ3-CB 3.76Å; W235-F243 HydrophobicContact CB-CE2 4.4Å; W235-F243 AromaticContact CE3-CE2 3.99Å; W235-F243 HydrophobicContact CE3-CE2 3.99Å |
| 236 | Q | 90.1 | Very high | 88.7 | Confident | 164 Ų | 164 | 58.9 Ų | 58.9 | 77% | 0.766 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -75.3 | -33.9 | -177.6 | -69.6 | 174.2 | 5.1 | 0 | 0 | 113.8 | G232 V234 | G232-Q236 WeakPolarHBondContact O-CB 3.42Å; G232-Q236 VanDerWaalsContact O-CG 3.27Å; G232-Q236 WeakPolarHBondContact O-CG 3.47Å; G232-Q236 PolarHBondContact O-N 2.98Å; V234-Q236 PolarHBondContact O-N 2.92Å |
| 237 | R | 86.6 | Confident | 88.4 | Confident | 185 Ų | 185 | 60.1 Ų | 60.1 | 70% | 0.698 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -96.4 | -26.6 | -174.1 | -61.1 | 176.2 | -177 | 179.7 | 2.3 | 114.4 | A233 V234 Q328 | A233-R237 WeakPolarHBondContact O-CB 3.3Å; A233-R237 VanDerWaalsContact O-CG 3.22Å; A233-R237 WeakPolarHBondContact O-CG 3.48Å; A233-R237 PolarHBondContact O-N 3.27Å; V234-R237 PolarHBondContact O-N 2.96Å; R237-Q328 PolarHBondContact O-NE2 3.4Å |
| 238 | E | 83.1 | Confident | 87.8 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -125.3 | -9.3 | -175.2 | -54.8 | -170.4 | -142.4 | 0 | 0 | 113.9 | R216 V234 A242 R245 | R216-E238 IonicContact CZ-OE1 3.19Å; R216-E238 VanDerWaalsContact CZ-OE1 3.24Å; R216-E238 IonicContact CZ-OE2 2.95Å; R216-E238 IonicContact NH1-OE1 3.01Å; R216-E238 PolarHBondContact NH1-OE1 3.2Å; R216-E238 VanDerWaalsContact NH2-CD 3.26Å; R216-E238 IonicContact NH2-OE1 3.27Å; R216-E238 PolarHBondContact NH2-OE1 2.93Å; R216-E238 IonicContact NH2-OE2 2.86Å; R216-E238 PolarHBondContact NH2-OE2 3.36Å; V234-E238 WeakPolarHBondContact O-CA 3.34Å; V234-E238 WeakPolarHBondContact O-CB 3.26Å; V234-E238 PolarHBondContact O-N 3.47Å; E238-A242 HydrophobicContact CB-CB 3.54Å; E238-R245 IonicContact OE2-CZ 3.73Å; E238-R245 IonicContact OE2-NH1 3.95Å; E238-R245 PolarHBondContact OE2-NH1 3.5Å; E238-R245 IonicContact OE2-NH2 3.4Å |
| 239 | G | 87.8 | Confident | 87 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | trans | 77.8 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V234 W235 A241 A242 | V234-G239 PolarHBondContact O-N 3.43Å; W235-G239 VanDerWaalsContact O-CA 3.23Å; W235-G239 WeakPolarHBondContact O-CA 3.45Å; W235-G239 PolarHBondContact O-N 3.44Å; W235-G239 VanDerWaalsContact O-N 3.14Å; G239-A241 PolarHBondContact O-N 2.92Å; G239-A242 VanDerWaalsContact O-CB 3.27Å; G239-A242 WeakPolarHBondContact O-CB 3.4Å; G239-A242 PolarHBondContact O-N 3.43Å; G239-A242 VanDerWaalsContact O-N 3.1Å | ||
| 240 | P | 87.7 | Confident | 86.1 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -61 | -29.3 | -178.4 | 23.1 | -33.8 | 0 | 0 | 0 | 113.5 | W235 A242 F243 | W235-P240 HydrophobicContact CE3-CB 4.2Å; W235-P240 HydrophobicContact CH2-CB 3.88Å; W235-P240 HydrophobicContact CZ2-CB 4.4Å; W235-P240 HydrophobicContact CZ3-CB 3.76Å; P240-A242 PolarHBondContact O-N 3.32Å; P240-A242 VanDerWaalsContact O-N 3.16Å; P240-F243 WeakPolarHBondContact O-CD2 3.38Å; P240-F243 PolarHBondContact O-N 2.68Å |
| 241 | A | 86.9 | Confident | 85.5 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -62.8 | -20.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G239 F243 Y244 R245 | G239-A241 PolarHBondContact O-N 2.92Å; A241-F243 PolarHBondContact O-N 3.35Å; A241-Y244 PolarHBondContact O-N 3.27Å; A241-R245 PolarHBondContact O-N 3.07Å; A241-R245 VanDerWaalsContact O-N 3.13Å |
| 242 | A | 85.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -62.4 | -30.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | V234 E238 G239 P240 Y244 | V234-A242 HydrophobicContact CG1-CB 3.71Å; E238-A242 HydrophobicContact CB-CB 3.54Å; G239-A242 VanDerWaalsContact O-CB 3.27Å; G239-A242 WeakPolarHBondContact O-CB 3.4Å; G239-A242 PolarHBondContact O-N 3.43Å; G239-A242 VanDerWaalsContact O-N 3.1Å; P240-A242 PolarHBondContact O-N 3.32Å; P240-A242 VanDerWaalsContact O-N 3.16Å; A242-Y244 PolarHBondContact O-N 2.85Å |
| 243 | F | 89 | Confident | 84.1 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -72.6 | -10.5 | 178.1 | -64.5 | -82.5 | 0 | 0 | 0 | 114.1 | N208 P209 V212 V213 V231 V234 W235 P240 A241 | N208-F243 PolarHBondContact ND2-O 3.05Å; P209-F243 HydrophobicContact CB-CB 4.27Å; P209-F243 HydrophobicContact CB-CD1 4.16Å; P209-F243 HydrophobicContact CG-CB 4.45Å; V212-F243 HydrophobicContact CG1-CD1 4.47Å; V213-F243 HydrophobicContact CG2-CE1 3.99Å; V231-F243 HydrophobicContact CG1-CZ 4.15Å; V234-F243 HydrophobicContact CB-CE1 4.49Å; V234-F243 HydrophobicContact CB-CE2 4.41Å; V234-F243 HydrophobicContact CB-CZ 3.93Å; V234-F243 HydrophobicContact CG1-CD2 4.35Å; V234-F243 HydrophobicContact CG1-CE1 4.11Å; V234-F243 HydrophobicContact CG1-CE2 3.79Å; V234-F243 HydrophobicContact CG1-CZ 3.66Å; W235-F243 HydrophobicContact CB-CE2 4.4Å; W235-F243 AromaticContact CE3-CE2 3.99Å; W235-F243 HydrophobicContact CE3-CE2 3.99Å; P240-F243 WeakPolarHBondContact O-CD2 3.38Å; P240-F243 PolarHBondContact O-N 2.68Å; A241-F243 PolarHBondContact O-N 3.35Å |
| 244 | Y | 89.1 | Confident | 83.4 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -126.1 | 3.8 | 179.9 | -71.8 | -83.5 | 0 | 0 | 0 | 113.7 | A205 P209 A241 A242 S246 Y247 | A205-Y244 WeakPolarHBondContact O-CE1 3.33Å; A205-Y244 PolarHBondContact O-OH 3.02Å; P209-Y244 HydrophobicContact CG-CE1 4.36Å; P209-Y244 HydrophobicContact CG-CE2 3.98Å; P209-Y244 WeakPolarHBondContact CG-OH 3.38Å; A241-Y244 PolarHBondContact O-N 3.27Å; A242-Y244 PolarHBondContact O-N 2.85Å; Y244-S246 PolarHBondContact O-N 3.43Å; Y244-S246 VanDerWaalsContact O-N 3.17Å; Y244-Y247 HydrophobicContact CD1-CG 4.37Å; Y244-Y247 VanDerWaalsContact O-CB 3.26Å; Y244-Y247 WeakPolarHBondContact O-CB 3.39Å; Y244-Y247 PolarHBondContact O-N 3.08Å |
| 245 | R | 80.7 | Confident | 82.7 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.2 | -175.3 | -171.2 | 179.7 | -65.8 | 151.8 | 1.3 | 114.2 | E238 A241 Q311 I329 | E238-R245 IonicContact OE2-CZ 3.73Å; E238-R245 IonicContact OE2-NH1 3.95Å; E238-R245 PolarHBondContact OE2-NH1 3.5Å; E238-R245 IonicContact OE2-NH2 3.4Å; A241-R245 PolarHBondContact O-N 3.07Å; A241-R245 VanDerWaalsContact O-N 3.13Å; R245-Q311 VanDerWaalsContact NH1-NE2 3.16Å; R245-I329 VanDerWaalsContact CD-O 3.32Å; R245-I329 WeakPolarHBondContact CD-O 3.43Å |
| 246 | S | 79.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -15.6 | 177.9 | 51.7 | 0 | 0 | 0 | 0 | 114 | N208 Y244 T248 T249 Q250 N309 | N208-S246 PolarHBondContact ND2-OG 2.95Å; N208-S246 PolarHBondContact OD1-OG 3.16Å; Y244-S246 PolarHBondContact O-N 3.43Å; Y244-S246 VanDerWaalsContact O-N 3.17Å; S246-T248 VanDerWaalsContact C-N 3.31Å; S246-T248 PolarHBondContact O-N 2.97Å; S246-T249 WeakPolarHBondContact O-CA 3.25Å; S246-T249 VanDerWaalsContact O-CB 3.31Å; S246-T249 WeakPolarHBondContact O-CB 3.36Å; S246-T249 PolarHBondContact O-N 2.96Å; S246-Q250 PolarHBondContact O-N 2.89Å; S246-N309 WeakPolarHBondContact CB-OD1 3.31Å; S246-N309 PolarHBondContact OG-OD1 3.44Å |
| 247 | Y | 82.4 | Confident | 81.8 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58 | -42.2 | -171.8 | 179.2 | -119.3 | 0 | 0 | 0 | 111.7 | L201 D204 A205 Y244 T249 Q250 L251 | L201-Y247 PolarHBondContact O-OH 2.97Å; D204-Y247 HydrophobicContact CB-CE2 4.32Å; A205-Y247 HydrophobicContact CB-CE2 3.93Å; Y244-Y247 HydrophobicContact CD1-CG 4.37Å; Y244-Y247 VanDerWaalsContact O-CB 3.26Å; Y244-Y247 WeakPolarHBondContact O-CB 3.39Å; Y244-Y247 PolarHBondContact O-N 3.08Å; Y247-T249 VanDerWaalsContact C-N 3.26Å; Y247-T249 PolarHBondContact O-N 3.41Å; Y247-Q250 WeakPolarHBondContact O-CB 3.48Å; Y247-Q250 PolarHBondContact O-N 3.42Å; Y247-Q250 VanDerWaalsContact O-N 3.12Å; Y247-L251 HydrophobicContact CD1-CD1 4.18Å; Y247-L251 HydrophobicContact CD2-CG 4.48Å; Y247-L251 HydrophobicContact CE1-CD1 3.75Å; Y247-L251 HydrophobicContact CE1-CD2 4.41Å; Y247-L251 HydrophobicContact CE1-CG 4.19Å; Y247-L251 HydrophobicContact CE2-CD2 3.91Å; Y247-L251 HydrophobicContact CE2-CG 4.15Å; Y247-L251 WeakPolarHBondContact O-CG 3.38Å; Y247-L251 PolarHBondContact O-N 3.38Å |
| 248 | T | 79.4 | Confident | 81.3 | Confident | 91 Ų | 91 | 41.4 Ų | 41.4 | 56% | 0.558 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.4 | -36.5 | 173.4 | -43.5 | 0 | 0 | 0 | 0 | 112.8 | S246 T252 | S246-T248 VanDerWaalsContact C-N 3.31Å; S246-T248 PolarHBondContact O-N 2.97Å; T248-T252 PolarHBondContact O-N 3.27Å; T248-T252 VanDerWaalsContact O-N 3.1Å; T248-T252 PolarHBondContact O-OG1 3.26Å |
| 249 | T | 75.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.3 | -37.2 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.6 | S246 Y247 T252 M253 C304 K305 L308 L332 | S246-T249 WeakPolarHBondContact O-CA 3.25Å; S246-T249 VanDerWaalsContact O-CB 3.31Å; S246-T249 WeakPolarHBondContact O-CB 3.36Å; S246-T249 PolarHBondContact O-N 2.96Å; Y247-T249 VanDerWaalsContact C-N 3.26Å; Y247-T249 PolarHBondContact O-N 3.41Å; T249-T252 PolarHBondContact O-N 2.87Å; T249-M253 WeakPolarHBondContact O-CB 3.44Å; T249-M253 PolarHBondContact O-N 3.28Å; T249-C304 HydrophobicContact CG2-CB 4.27Å; T249-K305 HydrophobicContact CG2-CB 4.03Å; T249-L308 VanDerWaalsContact OG1-CD1 3.25Å; T249-L308 WeakPolarHBondContact OG1-CD1 3.42Å; T249-L332 HydrophobicContact CG2-CD1 3.7Å |
| 250 | Q | 74.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 173.3 | 178.5 | 171 | 30.4 | 0 | 0 | 111.2 | D204 N208 E211 S246 Y247 T252 M253 N254 K305 | D204-Q250 HydrophobicContact CB-CG 4.24Å; D204-Q250 WeakPolarHBondContact OD2-CG 3.35Å; D204-Q250 PolarHBondContact OD2-NE2 3.42Å; N208-Q250 PolarHBondContact OD1-OE1 3.34Å; N208-Q250 VanDerWaalsContact OD1-OE1 3.11Å; E211-Q250 PolarHBondContact OE2-NE2 2.71Å; S246-Q250 PolarHBondContact O-N 2.89Å; Y247-Q250 WeakPolarHBondContact O-CB 3.48Å; Y247-Q250 PolarHBondContact O-N 3.42Å; Y247-Q250 VanDerWaalsContact O-N 3.12Å; Q250-T252 PolarHBondContact O-N 3.09Å; Q250-M253 WeakPolarHBondContact O-CB 3.35Å; Q250-M253 PolarHBondContact O-N 3.22Å; Q250-N254 PolarHBondContact O-N 3Å; Q250-N254 PolarHBondContact O-OD1 3.01Å; Q250-K305 HydrophobicContact CB-CD 4.2Å |
| 251 | L | 78.7 | Confident | 80.5 | Confident | 48 Ų | 48 | 45.3 Ų | 45.3 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.8 | -48.7 | 172.6 | -66.2 | -179 | 0 | 0 | 0 | 112.2 | L201 Y247 M253 | L201-L251 HydrophobicContact CB-CD2 3.99Å; L201-L251 HydrophobicContact CD1-CD2 4.01Å; L201-L251 HydrophobicContact CD2-CD2 3.67Å; L201-L251 HydrophobicContact CG-CD2 4.05Å; Y247-L251 HydrophobicContact CD1-CD1 4.18Å; Y247-L251 HydrophobicContact CD2-CG 4.48Å; Y247-L251 HydrophobicContact CE1-CD1 3.75Å; Y247-L251 HydrophobicContact CE1-CD2 4.41Å; Y247-L251 HydrophobicContact CE1-CG 4.19Å; Y247-L251 HydrophobicContact CE2-CD2 3.91Å; Y247-L251 HydrophobicContact CE2-CG 4.15Å; Y247-L251 WeakPolarHBondContact O-CG 3.38Å; Y247-L251 PolarHBondContact O-N 3.38Å; L251-M253 PolarHBondContact O-N 2.77Å |
| 252 | T | 78.5 | Confident | 80 | Confident | 66 Ų | 66 | 46 Ų | 46 | 41% | 0.405 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.6 | -20.4 | 177.6 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | T248 T249 Q250 P256 L332 | T248-T252 PolarHBondContact O-N 3.27Å; T248-T252 VanDerWaalsContact O-N 3.1Å; T248-T252 PolarHBondContact O-OG1 3.26Å; T249-T252 PolarHBondContact O-N 2.87Å; Q250-T252 PolarHBondContact O-N 3.09Å; T252-P256 WeakPolarHBondContact O-CD 3.34Å; T252-P256 VanDerWaalsContact O-CG 3.27Å; T252-P256 WeakPolarHBondContact O-CG 3.32Å; T252-L332 HydrophobicContact CG2-CD2 4.07Å |
| 253 | M | 78.9 | Confident | 79.8 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -88.1 | -41.2 | 177.3 | -175.7 | -173.1 | 76.7 | 0 | 0 | 112.8 | T249 Q250 L251 P256 F257 L301 D302 | T249-M253 WeakPolarHBondContact O-CB 3.44Å; T249-M253 PolarHBondContact O-N 3.28Å; Q250-M253 WeakPolarHBondContact O-CB 3.35Å; Q250-M253 PolarHBondContact O-N 3.22Å; L251-M253 PolarHBondContact O-N 2.77Å; M253-P256 WeakPolarHBondContact O-CD 3.36Å; M253-F257 WeakPolarHBondContact O-CB 3.27Å; M253-F257 PolarHBondContact O-N 3.17Å; M253-L301 HydrophobicContact CB-CB 3.95Å; M253-L301 HydrophobicContact CB-CD1 4.19Å; M253-L301 HydrophobicContact CG-CB 3.91Å; M253-L301 HydrophobicContact CG-CD1 4.46Å; M253-L301 HydrophobicContact SD-CB 4.48Å; M253-D302 HydrophobicContact SD-CB 3.63Å |
| 254 | N | 75.1 | Confident | 79.4 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | -171 | -70 | 0.9 | 0 | 0 | 0 | 112.2 | D204 Q250 F257 Q258 | D204-N254 PolarHBondContact OD2-ND2 3.48Å; Q250-N254 PolarHBondContact O-N 3Å; Q250-N254 PolarHBondContact O-OD1 3.01Å; N254-F257 PolarHBondContact O-N 3.13Å; N254-Q258 WeakPolarHBondContact O-CB 3.27Å; N254-Q258 PolarHBondContact O-N 3.19Å |
| 255 | V | 76 | Confident | 79 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 180 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | F257 Q258 V259 | V255-F257 VanDerWaalsContact C-N 3.34Å; V255-F257 PolarHBondContact O-N 3.39Å; V255-Q258 PolarHBondContact O-N 3.22Å; V255-V259 WeakPolarHBondContact O-CG2 3.16Å; V255-V259 PolarHBondContact O-N 3.31Å |
| 256 | P | 82.3 | Confident | 78.8 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 29% | 0.286 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.5 | -40.5 | 170.4 | -27.9 | 36 | 0 | 0 | 0 | 114.2 | T252 M253 Q258 V259 F260 T298 | T252-P256 WeakPolarHBondContact O-CD 3.34Å; T252-P256 VanDerWaalsContact O-CG 3.27Å; T252-P256 WeakPolarHBondContact O-CG 3.32Å; M253-P256 WeakPolarHBondContact O-CD 3.36Å; P256-Q258 PolarHBondContact O-N 3.29Å; P256-V259 PolarHBondContact O-N 3.39Å; P256-F260 HydrophobicContact CB-CD2 4.43Å; P256-F260 HydrophobicContact CB-CE2 4.39Å; P256-F260 WeakPolarHBondContact O-CD2 3.1Å; P256-F260 PolarHBondContact O-N 2.88Å; P256-T298 HydrophobicContact CB-CG2 4.03Å |
| 257 | F | 81.2 | Confident | 79.1 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 178.4 | -179.9 | -91.9 | 0 | 0 | 0 | 110.9 | M253 N254 V255 F260 H261 A294 A295 T298 | M253-F257 WeakPolarHBondContact O-CB 3.27Å; M253-F257 PolarHBondContact O-N 3.17Å; N254-F257 PolarHBondContact O-N 3.13Å; V255-F257 VanDerWaalsContact C-N 3.34Å; V255-F257 PolarHBondContact O-N 3.39Å; F257-F260 PolarHBondContact O-N 3.45Å; F257-H261 VanDerWaalsContact O-CB 3.27Å; F257-H261 WeakPolarHBondContact O-CB 3.42Å; F257-H261 PolarHBondContact O-N 2.92Å; F257-A294 HydrophobicContact CD2-CB 3.69Å; F257-A294 HydrophobicContact CE2-CB 3.69Å; F257-A294 HydrophobicContact CG-CB 4.27Å; F257-A294 HydrophobicContact CZ-CB 4.26Å; F257-A294 WeakPolarHBondContact O-CB 3.42Å; F257-A295 HydrophobicContact CE2-CB 4.3Å; F257-T298 HydrophobicContact CB-CG2 3.99Å |
| 258 | Q | 76.3 | Confident | 79.1 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | -178.8 | -161.6 | 62 | 43.1 | 0 | 0 | 112.3 | N254 V255 P256 H261 F262 | N254-Q258 WeakPolarHBondContact O-CB 3.27Å; N254-Q258 PolarHBondContact O-N 3.19Å; V255-Q258 PolarHBondContact O-N 3.22Å; P256-Q258 PolarHBondContact O-N 3.29Å; Q258-H261 PolarHBondContact O-N 3.24Å; Q258-F262 HydrophobicContact CG-CD2 3.75Å; Q258-F262 HydrophobicContact CG-CE2 3.54Å; Q258-F262 VanDerWaalsContact NE2-CZ 3.31Å; Q258-F262 WeakPolarHBondContact O-CD2 3.42Å; Q258-F262 PolarHBondContact O-N 3.13Å |
| 259 | V | 78.9 | Confident | 79 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -51.2 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | V255 P256 H261 F262 M263 | V255-V259 WeakPolarHBondContact O-CG2 3.16Å; V255-V259 PolarHBondContact O-N 3.31Å; P256-V259 PolarHBondContact O-N 3.39Å; V259-H261 VanDerWaalsContact C-N 3.29Å; V259-H261 PolarHBondContact O-N 3.3Å; V259-F262 PolarHBondContact O-N 2.94Å; V259-M263 HydrophobicContact CG1-CG 4.39Å; V259-M263 HydrophobicContact CG1-SD 3.74Å; V259-M263 WeakPolarHBondContact O-CB 3.39Å; V259-M263 VanDerWaalsContact O-CG 3.3Å; V259-M263 WeakPolarHBondContact O-CG 3.35Å; V259-M263 PolarHBondContact O-N 2.93Å |
| 260 | F | 83.5 | Confident | 79.3 | Confident | 93 Ų | 93 | 57.4 Ų | 57.4 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 177.3 | -75.8 | -59.2 | 0 | 0 | 0 | 112.1 | P256 F257 T264 A294 A297 | P256-F260 HydrophobicContact CB-CD2 4.43Å; P256-F260 HydrophobicContact CB-CE2 4.39Å; P256-F260 WeakPolarHBondContact O-CD2 3.1Å; P256-F260 PolarHBondContact O-N 2.88Å; F257-F260 PolarHBondContact O-N 3.45Å; F260-T264 VanDerWaalsContact O-CB 3.24Å; F260-T264 WeakPolarHBondContact O-CB 3.49Å; F260-T264 PolarHBondContact O-N 3.12Å; F260-T264 VanDerWaalsContact O-N 3.08Å; F260-T264 PolarHBondContact O-OG1 3.48Å; F260-A294 HydrophobicContact CB-CB 3.89Å; F260-A297 HydrophobicContact CD2-CB 3.87Å; F260-A297 HydrophobicContact CE2-CB 3.97Å; F260-A297 HydrophobicContact CG-CB 4.31Å; F260-A297 HydrophobicContact CZ-CB 4.47Å |
| 261 | H | 80.1 | Confident | 79.8 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -54.2 | 177.8 | -173.3 | 73 | 0 | 0 | 0 | 111.3 | F257 Q258 V259 T264 Y265 G291 A294 | F257-H261 VanDerWaalsContact O-CB 3.27Å; F257-H261 WeakPolarHBondContact O-CB 3.42Å; F257-H261 PolarHBondContact O-N 2.92Å; Q258-H261 PolarHBondContact O-N 3.24Å; V259-H261 VanDerWaalsContact C-N 3.29Å; V259-H261 PolarHBondContact O-N 3.3Å; H261-T264 PolarHBondContact O-N 2.99Å; H261-Y265 WeakPolarHBondContact O-CB 3.38Å; H261-Y265 PolarHBondContact O-N 3.05Å; H261-G291 WeakPolarHBondContact ND1-CA 3.49Å; H261-G291 PolarHBondContact ND1-N 3.4Å; H261-A294 HydrophobicContact CB-CB 4.05Å |
| 262 | F | 76.5 | Confident | 79.9 | Confident | 87 Ų | 87 | 64.2 Ų | 64.2 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 179.4 | -78.7 | -52.8 | 0 | 0 | 0 | 112.8 | Q258 V259 T264 Y265 E266 | Q258-F262 HydrophobicContact CG-CD2 3.75Å; Q258-F262 HydrophobicContact CG-CE2 3.54Å; Q258-F262 VanDerWaalsContact NE2-CZ 3.31Å; Q258-F262 WeakPolarHBondContact O-CD2 3.42Å; Q258-F262 PolarHBondContact O-N 3.13Å; V259-F262 PolarHBondContact O-N 2.94Å; F262-T264 VanDerWaalsContact C-N 3.31Å; F262-T264 PolarHBondContact O-N 3.3Å; F262-Y265 PolarHBondContact O-N 3.03Å; F262-E266 PolarHBondContact O-N 3.47Å |
| 263 | M | 80.6 | Confident | 79.9 | Confident | 130 Ų | 130 | 61.7 Ų | 61.7 | 64% | 0.64 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 179.6 | -70.5 | -179.6 | 73.2 | 0 | 0 | 112.2 | V259 Y267 | V259-M263 HydrophobicContact CG1-CG 4.39Å; V259-M263 HydrophobicContact CG1-SD 3.74Å; V259-M263 WeakPolarHBondContact O-CB 3.39Å; V259-M263 VanDerWaalsContact O-CG 3.3Å; V259-M263 WeakPolarHBondContact O-CG 3.35Å; V259-M263 PolarHBondContact O-N 2.93Å; M263-Y267 WeakPolarHBondContact O-CB 3.28Å; M263-Y267 PolarHBondContact O-N 3.48Å |
| 264 | T | 81.3 | Confident | 79.7 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.1 | -35.6 | 178.8 | -48.9 | 0 | 0 | 0 | 0 | 111.4 | F260 H261 F262 L268 A290 I293 | F260-T264 VanDerWaalsContact O-CB 3.24Å; F260-T264 WeakPolarHBondContact O-CB 3.49Å; F260-T264 PolarHBondContact O-N 3.12Å; F260-T264 VanDerWaalsContact O-N 3.08Å; F260-T264 PolarHBondContact O-OG1 3.48Å; H261-T264 PolarHBondContact O-N 2.99Å; F262-T264 VanDerWaalsContact C-N 3.31Å; F262-T264 PolarHBondContact O-N 3.3Å; T264-L268 HydrophobicContact CG2-CD1 3.89Å; T264-L268 HydrophobicContact CG2-CG 4.4Å; T264-L268 WeakPolarHBondContact O-CB 3.42Å; T264-L268 WeakPolarHBondContact O-CD1 3.18Å; T264-L268 WeakPolarHBondContact O-CG 3.5Å; T264-L268 PolarHBondContact O-N 2.93Å; T264-A290 HydrophobicContact CG2-CB 4.01Å; T264-I293 HydrophobicContact CG2-CB 4.35Å; T264-I293 HydrophobicContact CG2-CD1 3.72Å; T264-I293 HydrophobicContact CG2-CG2 4.47Å |
| 265 | Y | 79.2 | Confident | 79.6 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -50.6 | 179 | 174.2 | -95.3 | 0 | 0 | 0 | 112.1 | H261 F262 Y267 L268 Q269 H283 | H261-Y265 WeakPolarHBondContact O-CB 3.38Å; H261-Y265 PolarHBondContact O-N 3.05Å; F262-Y265 PolarHBondContact O-N 3.03Å; Y265-Y267 VanDerWaalsContact C-N 3.35Å; Y265-Y267 PolarHBondContact O-N 3.37Å; Y265-L268 PolarHBondContact O-N 3.25Å; Y265-Q269 HydrophobicContact CD1-CG 4.21Å; Y265-Q269 HydrophobicContact CD2-CG 4.47Å; Y265-Q269 HydrophobicContact CE1-CG 3.8Å; Y265-Q269 HydrophobicContact CE2-CG 4.08Å; Y265-Q269 WeakPolarHBondContact O-CG 3.45Å; Y265-Q269 PolarHBondContact O-N 2.94Å; Y265-Q269 PolarHBondContact OH-NE2 3.1Å; Y265-H283 PolarHBondContact OH-ND1 3.38Å |
| 266 | E | 77.9 | Confident | 79.3 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 178.1 | -71.5 | -61.5 | 124 | 0 | 0 | 111.1 | F262 L268 Q269 E270 R276 | F262-E266 PolarHBondContact O-N 3.47Å; E266-L268 VanDerWaalsContact C-N 3.31Å; E266-L268 PolarHBondContact O-N 3.38Å; E266-Q269 PolarHBondContact O-N 3.37Å; E266-Q269 VanDerWaalsContact O-N 3.12Å; E266-E270 WeakPolarHBondContact O-CG 3.42Å; E266-E270 PolarHBondContact O-N 2.95Å; E266-R276 IonicContact OE2-CZ 3.24Å; E266-R276 IonicContact OE2-NH1 2.92Å; E266-R276 PolarHBondContact OE2-NH1 2.68Å; E266-R276 VanDerWaalsContact OE2-NH1 3.07Å; E266-R276 IonicContact OE2-NH2 2.95Å; E266-R276 PolarHBondContact OE2-NH2 3.28Å |
| 267 | Y | 84.4 | Confident | 78.9 | Confident | 150 Ų | 150 | 78.3 Ų | 78.3 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59 | -39.6 | 175.6 | 177.4 | -106.4 | 0 | 0 | 0 | 113.1 | M263 Y265 L271 | M263-Y267 WeakPolarHBondContact O-CB 3.28Å; M263-Y267 PolarHBondContact O-N 3.48Å; Y265-Y267 VanDerWaalsContact C-N 3.35Å; Y265-Y267 PolarHBondContact O-N 3.37Å; Y267-L271 PolarHBondContact O-N 3.09Å |
| 268 | L | 82.7 | Confident | 78.1 | Confident | 16 Ų | 16 | 84.2 Ų | 84.2 | 8% | 0.084 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -73.1 | -32.9 | 175.8 | -71.5 | 170.6 | 0 | 0 | 0 | 112.5 | T264 Y265 E266 L271 L272 L289 | T264-L268 HydrophobicContact CG2-CD1 3.89Å; T264-L268 HydrophobicContact CG2-CG 4.4Å; T264-L268 WeakPolarHBondContact O-CB 3.42Å; T264-L268 WeakPolarHBondContact O-CD1 3.18Å; T264-L268 WeakPolarHBondContact O-CG 3.5Å; T264-L268 PolarHBondContact O-N 2.93Å; Y265-L268 PolarHBondContact O-N 3.25Å; E266-L268 VanDerWaalsContact C-N 3.31Å; E266-L268 PolarHBondContact O-N 3.38Å; L268-L271 PolarHBondContact O-N 3.29Å; L268-L272 HydrophobicContact CB-CD1 4.49Å; L268-L272 VanDerWaalsContact O-CB 3.22Å; L268-L272 WeakPolarHBondContact O-CB 3.35Å; L268-L272 WeakPolarHBondContact O-CG 3.25Å; L268-L272 PolarHBondContact O-N 2.94Å; L268-L289 HydrophobicContact CD1-CB 3.78Å; L268-L289 HydrophobicContact CD1-CD2 3.73Å; L268-L289 HydrophobicContact CD1-CG 3.78Å; L268-L289 HydrophobicContact CD2-CD2 3.9Å |
| 269 | Q | 77.8 | Confident | 78 | Confident | 6 Ų | 6 | 85 Ų | 85 | 3% | 0.028 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 173.2 | -73.3 | -67.7 | -14.7 | 0 | 0 | 112 | Y265 E266 L271 N273 H283 | Y265-Q269 HydrophobicContact CD1-CG 4.21Å; Y265-Q269 HydrophobicContact CD2-CG 4.47Å; Y265-Q269 HydrophobicContact CE1-CG 3.8Å; Y265-Q269 HydrophobicContact CE2-CG 4.08Å; Y265-Q269 WeakPolarHBondContact O-CG 3.45Å; Y265-Q269 PolarHBondContact O-N 2.94Å; Y265-Q269 PolarHBondContact OH-NE2 3.1Å; E266-Q269 PolarHBondContact O-N 3.37Å; E266-Q269 VanDerWaalsContact O-N 3.12Å; Q269-L271 PolarHBondContact O-N 3.43Å; Q269-N273 CarbonylContact O-C 3.12Å; Q269-N273 VanDerWaalsContact O-CA 3.27Å; Q269-N273 WeakPolarHBondContact O-CA 3.19Å; Q269-N273 PolarHBondContact O-N 2.86Å; Q269-H283 PolarHBondContact NE2-ND1 2.84Å |
| 270 | E | 81.4 | Confident | 77.7 | Confident | 121 Ų | 121 | 83.3 Ų | 83.3 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.4 | -34.9 | 173.5 | -72.6 | 176.7 | 173.6 | 0 | 0 | 112.1 | E266 | E266-E270 WeakPolarHBondContact O-CG 3.42Å; E266-E270 PolarHBondContact O-N 2.95Å |
| 271 | L | 85 | Confident | 77.4 | Confident | 114 Ų | 114 | 82.5 Ų | 82.5 | 60% | 0.597 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -83.6 | -41 | 179.8 | -173.6 | 62.5 | 0 | 0 | 0 | 113.9 | Y267 L268 Q269 | Y267-L271 PolarHBondContact O-N 3.09Å; L268-L271 PolarHBondContact O-N 3.29Å; Q269-L271 PolarHBondContact O-N 3.43Å |
| 272 | L | 79.6 | Confident | 77.2 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 41% | 0.414 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -98.6 | -17.8 | -172.3 | -61.6 | 175.3 | 0 | 0 | 0 | 113.7 | L268 S282 V285 | L268-L272 HydrophobicContact CB-CD1 4.49Å; L268-L272 VanDerWaalsContact O-CB 3.22Å; L268-L272 WeakPolarHBondContact O-CB 3.35Å; L268-L272 WeakPolarHBondContact O-CG 3.25Å; L268-L272 PolarHBondContact O-N 2.94Å; L272-S282 WeakPolarHBondContact CB-OG 3.26Å; L272-V285 HydrophobicContact CD1-CG1 4.01Å |
| 273 | N | 78.9 | Confident | 77.1 | Confident | 13 Ų | 13 | 78.8 Ų | 78.8 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | trans | -142.6 | 64.5 | 177.4 | -169.5 | 12.5 | 0 | 0 | 0 | 112.3 | Q269 H275 R276 L277 | Q269-N273 CarbonylContact O-C 3.12Å; Q269-N273 VanDerWaalsContact O-CA 3.27Å; Q269-N273 WeakPolarHBondContact O-CA 3.19Å; Q269-N273 PolarHBondContact O-N 2.86Å; N273-H275 PolarHBondContact O-N 3.32Å; N273-R276 PolarHBondContact O-N 3.02Å; N273-R276 PolarHBondContact OD1-N 2.9Å; N273-L277 PolarHBondContact ND2-O 3.04Å; N273-L277 PolarHBondContact OD1-N 2.94Å; N273-L277 VanDerWaalsContact OD1-N 3.13Å; N273-L277 PolarHBondContact OD1-O 2.99Å | ||
| 274 | P | 75.6 | Confident | 76.7 | Confident | 91 Ų | 91 | 77 Ų | 77 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.2 | -173.9 | -22.1 | 32.4 | 0 | 0 | 0 | 114.6 | ||
| 275 | H | 72.1 | Confident | 76.8 | Confident | 152 Ų | 152 | 80 Ų | 80 | 70% | 0.704 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 1.1 | -179.6 | -63.5 | 70.8 | 0 | 0 | 0 | 112.8 | N273 L277 | N273-H275 PolarHBondContact O-N 3.32Å; H275-L277 HydrophobicContact CB-CD1 3.97Å; H275-L277 HydrophobicContact CB-CG 3.87Å; H275-L277 PolarHBondContact O-N 3.27Å |
| 276 | R | 70.1 | Confident | 76.8 | Confident | 140 Ų | 140 | 77.7 Ų | 77.7 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | trans | 47.3 | 31 | -174.8 | -64.6 | -168.5 | 177.9 | -123.2 | -4.9 | 114.4 | E266 N273 | E266-R276 IonicContact OE2-CZ 3.24Å; E266-R276 IonicContact OE2-NH1 2.92Å; E266-R276 PolarHBondContact OE2-NH1 2.68Å; E266-R276 VanDerWaalsContact OE2-NH1 3.07Å; E266-R276 IonicContact OE2-NH2 2.95Å; E266-R276 PolarHBondContact OE2-NH2 3.28Å; N273-R276 PolarHBondContact O-N 3.02Å; N273-R276 PolarHBondContact OD1-N 2.9Å | ||
| 277 | L | 73.6 | Confident | 76.8 | Confident | 119 Ų | 119 | 75.5 Ų | 75.5 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | trans | -77.2 | 156.6 | 177.9 | -65.9 | 173.6 | 0 | 0 | 0 | 111.1 | N273 H275 N279 | N273-L277 PolarHBondContact ND2-O 3.04Å; N273-L277 PolarHBondContact OD1-N 2.94Å; N273-L277 VanDerWaalsContact OD1-N 3.13Å; N273-L277 PolarHBondContact OD1-O 2.99Å; H275-L277 HydrophobicContact CB-CD1 3.97Å; H275-L277 HydrophobicContact CB-CG 3.87Å; H275-L277 PolarHBondContact O-N 3.27Å; L277-N279 PolarHBondContact O-N 3.47Å | ||
| 278 | Y | 65.6 | Low | 76.6 | Confident | 169 Ų | 169 | 69.5 Ų | 69.5 | 66% | 0.663 | 36% | 0.358 | S | S | * | . | trans | -61.8 | 100.8 | 179.2 | -176.6 | -98.3 | 0 | 0 | 0 | 112.1 | Y81 P280 | Y81-Y278 HydrophobicContact CD2-CE2 4.1Å; Y81-Y278 AromaticContact CE2-CE2 3.83Å; Y81-Y278 HydrophobicContact CE2-CE2 3.83Å; Y278-P280 HydrophobicContact CD1-CG 4.28Å; Y278-P280 HydrophobicContact CE1-CG 3.58Å; Y278-P280 HydrophobicContact CE2-CG 4.45Å | ||
| 279 | N | 73.5 | Confident | 76.7 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | trans | -135.9 | 91.5 | 177.3 | -175.5 | -14.3 | 0 | 0 | 0 | 111 | L277 S281 S282 H283 | L277-N279 PolarHBondContact O-N 3.47Å; N279-S281 PolarHBondContact O-N 3.14Å; N279-S281 VanDerWaalsContact O-N 3.11Å; N279-S281 PolarHBondContact OD1-N 3.36Å; N279-S281 PolarHBondContact OD1-OG 3.08Å; N279-S282 WeakPolarHBondContact O-CB 3.35Å; N279-S282 PolarHBondContact O-N 2.92Å; N279-S282 PolarHBondContact OD1-N 2.96Å; N279-H283 PolarHBondContact O-CD2 3.16Å; N279-H283 PolarHBondContact O-N 3.2Å | ||
| 280 | P | 73.1 | Confident | 76.9 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 26% | 0.26 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -53.6 | -34.9 | -177.3 | -29.6 | 36.5 | 0 | 0 | 0 | 114.2 | Y278 H283 M284 | Y278-P280 HydrophobicContact CD1-CG 4.28Å; Y278-P280 HydrophobicContact CE1-CG 3.58Å; Y278-P280 HydrophobicContact CE2-CG 4.45Å; P280-H283 PolarHBondContact O-N 3Å; P280-M284 VanDerWaalsContact O-CG 3.3Å; P280-M284 WeakPolarHBondContact O-CG 3.41Å; P280-M284 PolarHBondContact O-N 3.2Å |
| 281 | S | 75.6 | Confident | 76.8 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 53% | 0.531 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 179.8 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | N279 M284 V285 | N279-S281 PolarHBondContact O-N 3.14Å; N279-S281 VanDerWaalsContact O-N 3.11Å; N279-S281 PolarHBondContact OD1-N 3.36Å; N279-S281 PolarHBondContact OD1-OG 3.08Å; S281-M284 PolarHBondContact O-N 3.12Å; S281-V285 WeakPolarHBondContact O-CB 3.1Å; S281-V285 VanDerWaalsContact O-CG2 3.32Å; S281-V285 WeakPolarHBondContact O-CG2 3.37Å; S281-V285 PolarHBondContact O-N 2.92Å |
| 282 | S | 76.5 | Confident | 76.9 | Confident | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | L272 N279 M284 V285 S286 | L272-S282 WeakPolarHBondContact CB-OG 3.26Å; N279-S282 WeakPolarHBondContact O-CB 3.35Å; N279-S282 PolarHBondContact O-N 2.92Å; N279-S282 PolarHBondContact OD1-N 2.96Å; S282-M284 PolarHBondContact O-N 3.02Å; S282-V285 PolarHBondContact O-N 3.13Å; S282-S286 WeakPolarHBondContact O-CB 3.31Å; S282-S286 PolarHBondContact O-N 3.33Å; S282-S286 PolarHBondContact O-OG 3.46Å |
| 283 | H | 74.2 | Confident | 77.3 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.7 | -66.8 | -75.7 | 0 | 0 | 0 | 112.4 | Y265 Q269 N279 P280 G287 | Y265-H283 PolarHBondContact OH-ND1 3.38Å; Q269-H283 PolarHBondContact NE2-ND1 2.84Å; N279-H283 PolarHBondContact O-CD2 3.16Å; N279-H283 PolarHBondContact O-N 3.2Å; P280-H283 PolarHBondContact O-N 3Å; H283-G287 PolarHBondContact O-N 3.34Å |
| 284 | M | 73.3 | Confident | 77.5 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 176.9 | -72 | -179.8 | 76.3 | 0 | 0 | 112.4 | P280 S281 S282 A288 | P280-M284 VanDerWaalsContact O-CG 3.3Å; P280-M284 WeakPolarHBondContact O-CG 3.41Å; P280-M284 PolarHBondContact O-N 3.2Å; S281-M284 PolarHBondContact O-N 3.12Å; S282-M284 PolarHBondContact O-N 3.02Å; M284-A288 WeakPolarHBondContact O-CB 3.36Å; M284-A288 PolarHBondContact O-N 3.36Å |
| 285 | V | 82.4 | Confident | 77.9 | Confident | 83 Ų | 83 | 56.9 Ų | 56.9 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -46.6 | 179.4 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L272 S281 S282 A288 L289 | L272-V285 HydrophobicContact CD1-CG1 4.01Å; S281-V285 WeakPolarHBondContact O-CB 3.1Å; S281-V285 VanDerWaalsContact O-CG2 3.32Å; S281-V285 WeakPolarHBondContact O-CG2 3.37Å; S281-V285 PolarHBondContact O-N 2.92Å; S282-V285 PolarHBondContact O-N 3.13Å; V285-A288 PolarHBondContact O-N 3.04Å; V285-L289 WeakPolarHBondContact O-CB 3.36Å; V285-L289 PolarHBondContact O-N 3.01Å |
| 286 | S | 79.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | S282 A290 | S282-S286 WeakPolarHBondContact O-CB 3.31Å; S282-S286 PolarHBondContact O-N 3.33Å; S282-S286 PolarHBondContact O-OG 3.46Å; S286-A290 WeakPolarHBondContact O-CB 3.39Å; S286-A290 PolarHBondContact O-N 2.78Å |
| 287 | G | 77.8 | Confident | 79.5 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H283 G291 | H283-G287 PolarHBondContact O-N 3.34Å; G287-G291 PolarHBondContact O-N 2.71Å |
| 288 | A | 79.1 | Confident | 80.2 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 21% | 0.207 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | M284 V285 A292 | M284-A288 WeakPolarHBondContact O-CB 3.36Å; M284-A288 PolarHBondContact O-N 3.36Å; V285-A288 PolarHBondContact O-N 3.04Å; A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.42Å; A288-A292 PolarHBondContact O-N 2.93Å |
| 289 | L | 85.4 | Confident | 81.3 | Confident | 80 Ų | 80 | 33.3 Ų | 33.3 | 42% | 0.419 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.6 | -40.3 | 179.5 | -178 | 57 | 0 | 0 | 0 | 111.9 | L268 V285 A292 I293 | L268-L289 HydrophobicContact CD1-CB 3.78Å; L268-L289 HydrophobicContact CD1-CD2 3.73Å; L268-L289 HydrophobicContact CD1-CG 3.78Å; L268-L289 HydrophobicContact CD2-CD2 3.9Å; V285-L289 WeakPolarHBondContact O-CB 3.36Å; V285-L289 PolarHBondContact O-N 3.01Å; L289-A292 PolarHBondContact O-N 3.14Å; L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.35Å; L289-I293 HydrophobicContact CG-CD1 4.06Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 3.34Å |
| 290 | A | 81.6 | Confident | 82 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T264 S286 I293 A294 | T264-A290 HydrophobicContact CG2-CB 4.01Å; S286-A290 WeakPolarHBondContact O-CB 3.39Å; S286-A290 PolarHBondContact O-N 2.78Å; A290-I293 PolarHBondContact O-N 2.97Å; A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.23Å; A290-A294 PolarHBondContact O-N 3.16Å |
| 291 | G | 81 | Confident | 82.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H261 G287 A295 | H261-G291 WeakPolarHBondContact ND1-CA 3.49Å; H261-G291 PolarHBondContact ND1-N 3.4Å; G287-G291 PolarHBondContact O-N 2.71Å; G291-A295 WeakPolarHBondContact O-CB 3.26Å; G291-A295 PolarHBondContact O-N 3.12Å |
| 292 | A | 85.3 | Confident | 83.1 | Confident | 18 Ų | 18 | 28 Ų | 28 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | A288 L289 A295 A296 V356 | A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.42Å; A288-A292 PolarHBondContact O-N 2.93Å; L289-A292 PolarHBondContact O-N 3.14Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-A296 WeakPolarHBondContact O-CB 3.23Å; A292-A296 PolarHBondContact O-N 2.71Å; A292-V356 HydrophobicContact CB-CG1 3.89Å |
| 293 | I | 88.1 | Confident | 83.5 | Confident | 76 Ų | 76 | 27.8 Ų | 27.8 | 39% | 0.39 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 178.3 | -72.1 | 166.9 | 0 | 0 | 0 | 110.6 | T264 L289 A290 A295 A296 A297 | T264-I293 HydrophobicContact CG2-CB 4.35Å; T264-I293 HydrophobicContact CG2-CD1 3.72Å; T264-I293 HydrophobicContact CG2-CG2 4.47Å; L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.35Å; L289-I293 HydrophobicContact CG-CD1 4.06Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 3.34Å; A290-I293 PolarHBondContact O-N 2.97Å; I293-A295 VanDerWaalsContact C-N 3.33Å; I293-A295 PolarHBondContact O-N 3.39Å; I293-A296 PolarHBondContact O-N 3.11Å; I293-A297 WeakPolarHBondContact O-CB 3.3Å; I293-A297 PolarHBondContact O-N 3.5Å |
| 294 | A | 84.1 | Confident | 84 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | F257 F260 H261 A290 T298 | F257-A294 HydrophobicContact CD2-CB 3.69Å; F257-A294 HydrophobicContact CE2-CB 3.69Å; F257-A294 HydrophobicContact CG-CB 4.27Å; F257-A294 HydrophobicContact CZ-CB 4.26Å; F257-A294 WeakPolarHBondContact O-CB 3.42Å; F260-A294 HydrophobicContact CB-CB 3.89Å; H261-A294 HydrophobicContact CB-CB 4.05Å; A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.23Å; A290-A294 PolarHBondContact O-N 3.16Å; A294-T298 WeakPolarHBondContact O-CB 3.48Å; A294-T298 WeakPolarHBondContact O-CG2 3.37Å; A294-T298 PolarHBondContact O-N 3.11Å; A294-T298 PolarHBondContact O-OG1 2.99Å |
| 295 | A | 84.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F257 G291 A292 I293 T298 T299 R355 | F257-A295 HydrophobicContact CE2-CB 4.3Å; G291-A295 WeakPolarHBondContact O-CB 3.26Å; G291-A295 PolarHBondContact O-N 3.12Å; A292-A295 PolarHBondContact O-N 2.96Å; I293-A295 VanDerWaalsContact C-N 3.33Å; I293-A295 PolarHBondContact O-N 3.39Å; A295-T298 PolarHBondContact O-N 2.85Å; A295-T299 PolarHBondContact O-N 3.21Å; A295-T299 PolarHBondContact O-OG1 2.88Å; A295-R355 HydrophobicContact CB-CG 3.89Å; A295-R355 PolarHBondContact O-NH1 3.15Å |
| 296 | A | 88.3 | Confident | 84.5 | Confident | 32 Ų | 32 | 17.8 Ų | 17.8 | 26% | 0.264 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.7 | -50.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A292 I293 T298 T299 V352 V356 | A292-A296 WeakPolarHBondContact O-CB 3.23Å; A292-A296 PolarHBondContact O-N 2.71Å; I293-A296 PolarHBondContact O-N 3.11Å; A296-T298 VanDerWaalsContact C-N 3.29Å; A296-T298 PolarHBondContact O-N 3.13Å; A296-T299 WeakPolarHBondContact O-CB 3.32Å; A296-T299 PolarHBondContact O-N 3.32Å; A296-T299 PolarHBondContact O-OG1 3.11Å; A296-V352 HydrophobicContact CB-CG2 4.23Å; A296-V356 HydrophobicContact CB-CG2 4.26Å |
| 297 | A | 87.9 | Confident | 84.6 | Confident | 49 Ų | 49 | 17.9 Ų | 17.9 | 41% | 0.405 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -58.1 | -38.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | F260 I293 | F260-A297 HydrophobicContact CD2-CB 3.87Å; F260-A297 HydrophobicContact CE2-CB 3.97Å; F260-A297 HydrophobicContact CG-CB 4.31Å; F260-A297 HydrophobicContact CZ-CB 4.47Å; I293-A297 WeakPolarHBondContact O-CB 3.3Å; I293-A297 PolarHBondContact O-N 3.5Å |
| 298 | T | 87.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 6.1 | -178.8 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | P256 F257 A294 A295 A296 P300 L301 D302 R355 | P256-T298 HydrophobicContact CB-CG2 4.03Å; F257-T298 HydrophobicContact CB-CG2 3.99Å; A294-T298 WeakPolarHBondContact O-CB 3.48Å; A294-T298 WeakPolarHBondContact O-CG2 3.37Å; A294-T298 PolarHBondContact O-N 3.11Å; A294-T298 PolarHBondContact O-OG1 2.99Å; A295-T298 PolarHBondContact O-N 2.85Å; A296-T298 VanDerWaalsContact C-N 3.29Å; A296-T298 PolarHBondContact O-N 3.13Å; T298-P300 VanDerWaalsContact C-CD 3.49Å; T298-L301 PolarHBondContact O-N 3.05Å; T298-D302 PolarHBondContact O-N 2.91Å; T298-R355 PolarHBondContact O-NH1 2.87Å; T298-R355 VanDerWaalsContact OG1-CZ 3.24Å; T298-R355 PolarHBondContact OG1-NH1 2.94Å; T298-R355 PolarHBondContact OG1-NH2 3.46Å |
| 299 | T | 88.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.5 | -39.7 | 178.2 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | A295 A296 L301 D302 V303 F348 V352 | A295-T299 PolarHBondContact O-N 3.21Å; A295-T299 PolarHBondContact O-OG1 2.88Å; A296-T299 WeakPolarHBondContact O-CB 3.32Å; A296-T299 PolarHBondContact O-N 3.32Å; A296-T299 PolarHBondContact O-OG1 3.11Å; T299-L301 PolarHBondContact O-N 2.69Å; T299-D302 PolarHBondContact O-N 2.95Å; T299-D302 VanDerWaalsContact O-N 3.14Å; T299-V303 HydrophobicContact CG2-CG2 4.2Å; T299-V303 WeakPolarHBondContact O-CG2 3.28Å; T299-V303 PolarHBondContact O-N 3.36Å; T299-F348 CarbonylContact C-O 3.39Å; T299-F348 WeakPolarHBondContact CG2-O 3.45Å; T299-V352 HydrophobicContact CG2-CB 4.02Å; T299-V352 HydrophobicContact CG2-CG2 4.37Å |
| 300 | P | 89.2 | Confident | 84.1 | Confident | 27 Ų | 27 | 13 Ų | 13 | 18% | 0.175 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.7 | -36.1 | 177 | -29.4 | 37.4 | 0 | 0 | 0 | 114.5 | T298 C304 F348 F349 | T298-P300 VanDerWaalsContact C-CD 3.49Å; P300-C304 PolarHBondContact O-N 3.25Å; P300-C304 PolarHBondContact O-SG 3.27Å; P300-F348 WeakPolarHBondContact CA-O 3.44Å; P300-F348 HydrophobicContact CB-CB 3.93Å; P300-F348 HydrophobicContact CB-CD1 3.95Å; P300-F348 HydrophobicContact CB-CG 4.26Å; P300-F348 HydrophobicContact CG-CB 4.12Å; P300-F349 HydrophobicContact CG-CE1 4.17Å; P300-F349 HydrophobicContact CG-CZ 4.03Å |
| 301 | L | 86.8 | Confident | 83.4 | Confident | 37 Ų | 37 | 13.9 Ų | 13.9 | 19% | 0.194 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -77.2 | -36.9 | 178.7 | -63.7 | 175.2 | 0 | 0 | 0 | 112.1 | M253 T298 T299 C304 K305 L332 | M253-L301 HydrophobicContact CB-CB 3.95Å; M253-L301 HydrophobicContact CB-CD1 4.19Å; M253-L301 HydrophobicContact CG-CB 3.91Å; M253-L301 HydrophobicContact CG-CD1 4.46Å; M253-L301 HydrophobicContact SD-CB 4.48Å; T298-L301 PolarHBondContact O-N 3.05Å; T299-L301 PolarHBondContact O-N 2.69Å; L301-C304 CarbonylContact O-C 3.56Å; L301-C304 WeakPolarHBondContact O-CB 3.47Å; L301-C304 PolarHBondContact O-N 2.85Å; L301-C304 VanDerWaalsContact O-N 3.16Å; L301-K305 PolarHBondContact O-N 3.4Å; L301-L332 HydrophobicContact CD2-CD1 4.29Å; L301-L332 HydrophobicContact CD2-CD2 4.32Å |
| 302 | D | 84.4 | Confident | 82.6 | Confident | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 176.9 | -165.5 | 37.9 | 0 | 0 | 0 | 111.3 | K115 Q119 M253 T298 T299 C304 K305 T306 R355 | K115-D302 WeakPolarHBondContact CE-OD2 3.43Å; K115-D302 IonicContact NZ-OD1 2.65Å; K115-D302 PolarHBondContact NZ-OD1 3.25Å; K115-D302 IonicContact NZ-OD2 3.43Å; K115-D302 PolarHBondContact NZ-OD2 3Å; Q119-D302 PolarHBondContact NE2-OD2 3.44Å; M253-D302 HydrophobicContact SD-CB 3.63Å; T298-D302 PolarHBondContact O-N 2.91Å; T299-D302 PolarHBondContact O-N 2.95Å; T299-D302 VanDerWaalsContact O-N 3.14Å; D302-C304 VanDerWaalsContact C-N 3.3Å; D302-C304 PolarHBondContact O-N 3.23Å; D302-K305 WeakPolarHBondContact O-CB 3.3Å; D302-K305 PolarHBondContact O-N 2.97Å; D302-T306 PolarHBondContact O-N 3.23Å; D302-T306 PolarHBondContact O-OG1 2.98Å; D302-R355 VanDerWaalsContact CB-NH1 3.31Å; D302-R355 IonicContact OD2-CZ 2.69Å; D302-R355 IonicContact OD2-NE 2.81Å; D302-R355 IonicContact OD2-NH1 3.29Å |
| 303 | V | 84.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.4 | -39.7 | 170.8 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | T299 L307 V339 | T299-V303 HydrophobicContact CG2-CG2 4.2Å; T299-V303 WeakPolarHBondContact O-CG2 3.28Å; T299-V303 PolarHBondContact O-N 3.36Å; V303-L307 WeakPolarHBondContact O-CB 3.17Å; V303-L307 PolarHBondContact O-N 3.47Å; V303-V339 HydrophobicContact CG1-CG1 4.16Å; V303-V339 HydrophobicContact CG1-CG2 4.04Å |
| 304 | C | 85.6 | Confident | 79 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.9 | -39.4 | 175.1 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | T249 P300 L301 D302 L307 L308 L332 A335 | T249-C304 HydrophobicContact CG2-CB 4.27Å; P300-C304 PolarHBondContact O-N 3.25Å; P300-C304 PolarHBondContact O-SG 3.27Å; L301-C304 CarbonylContact O-C 3.56Å; L301-C304 WeakPolarHBondContact O-CB 3.47Å; L301-C304 PolarHBondContact O-N 2.85Å; L301-C304 VanDerWaalsContact O-N 3.16Å; D302-C304 VanDerWaalsContact C-N 3.3Å; D302-C304 PolarHBondContact O-N 3.23Å; C304-L307 PolarHBondContact O-N 3.34Å; C304-L308 WeakPolarHBondContact O-CG 3.42Å; C304-L308 PolarHBondContact O-N 3.43Å; C304-L308 VanDerWaalsContact O-N 3.07Å; C304-L332 HydrophobicContact CB-CD1 3.73Å; C304-A335 HydrophobicContact CB-CB 4.09Å |
| 305 | K | 84.1 | Confident | 77.4 | Confident | 9 Ų | 9 | 19.6 Ų | 19.6 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 173.2 | -175.8 | -173.5 | 173.4 | -175.2 | 0 | 110.5 | E211 T249 Q250 L301 D302 L307 L308 N309 | E211-K305 IonicContact OE1-NZ 3.21Å; E211-K305 PolarHBondContact OE1-NZ 3.21Å; E211-K305 WeakPolarHBondContact OE2-CE 3.35Å; E211-K305 IonicContact OE2-NZ 2.79Å; E211-K305 PolarHBondContact OE2-NZ 3.39Å; T249-K305 HydrophobicContact CG2-CB 4.03Å; Q250-K305 HydrophobicContact CB-CD 4.2Å; L301-K305 PolarHBondContact O-N 3.4Å; D302-K305 WeakPolarHBondContact O-CB 3.3Å; D302-K305 PolarHBondContact O-N 2.97Å; K305-L307 PolarHBondContact O-N 2.92Å; K305-L308 PolarHBondContact O-N 3.03Å; K305-N309 PolarHBondContact O-N 2.95Å |
| 306 | T | 81.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 179 | -54.3 | 0 | 0 | 0 | 0 | 111 | T116 Q119 D302 L308 N309 T310 | T116-T306 HydrophobicContact CG2-CG2 4.44Å; Q119-T306 HydrophobicContact CB-CG2 4.03Å; Q119-T306 PolarHBondContact OE1-OG1 3.13Å; D302-T306 PolarHBondContact O-N 3.23Å; D302-T306 PolarHBondContact O-OG1 2.98Å; T306-L308 VanDerWaalsContact C-N 3.34Å; T306-L308 PolarHBondContact O-N 3.11Å; T306-N309 PolarHBondContact O-N 3.49Å; T306-N309 VanDerWaalsContact O-N 3.16Å; T306-T310 HydrophobicContact CG2-CG2 3.98Å; T306-T310 WeakPolarHBondContact O-CB 3.49Å; T306-T310 WeakPolarHBondContact O-CG2 3.39Å; T306-T310 PolarHBondContact O-N 2.95Å; T306-T310 PolarHBondContact O-OG1 3.33Å |
| 307 | L | 81.7 | Confident | 73.9 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 177.5 | 178.7 | 61.8 | 0 | 0 | 0 | 113 | L121 V303 C304 K305 N309 Q311 I329 A335 T338 V339 | L121-L307 HydrophobicContact CD1-CD1 3.89Å; L121-L307 HydrophobicContact CD1-CD2 4.04Å; L121-L307 HydrophobicContact CD1-CG 4.49Å; L121-L307 HydrophobicContact CG-CD1 4.49Å; V303-L307 WeakPolarHBondContact O-CB 3.17Å; V303-L307 PolarHBondContact O-N 3.47Å; C304-L307 PolarHBondContact O-N 3.34Å; K305-L307 PolarHBondContact O-N 2.92Å; L307-N309 VanDerWaalsContact C-N 3.34Å; L307-Q311 PolarHBondContact O-N 2.9Å; L307-I329 HydrophobicContact CD1-CD1 4.02Å; L307-I329 HydrophobicContact CD2-CD1 4.09Å; L307-I329 HydrophobicContact CG-CD1 3.99Å; L307-A335 HydrophobicContact CD2-CB 4.33Å; L307-T338 HydrophobicContact CD2-CG2 3.97Å; L307-V339 HydrophobicContact CD2-CG2 3.79Å |
| 308 | L | 80.6 | Confident | 71.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -34.1 | 178.1 | -74.7 | 171.7 | 0 | 0 | 0 | 112.8 | T249 C304 K305 T306 Q311 I329 A335 | T249-L308 VanDerWaalsContact OG1-CD1 3.25Å; T249-L308 WeakPolarHBondContact OG1-CD1 3.42Å; C304-L308 WeakPolarHBondContact O-CG 3.42Å; C304-L308 PolarHBondContact O-N 3.43Å; C304-L308 VanDerWaalsContact O-N 3.07Å; K305-L308 PolarHBondContact O-N 3.03Å; T306-L308 VanDerWaalsContact C-N 3.34Å; T306-L308 PolarHBondContact O-N 3.11Å; L308-Q311 WeakPolarHBondContact O-CG 3.46Å; L308-Q311 PolarHBondContact O-NE2 3.47Å; L308-I329 HydrophobicContact CD2-CB 4.27Å; L308-I329 HydrophobicContact CD2-CG2 3.74Å; L308-I329 WeakPolarHBondContact CD2-O 3.36Å; L308-A335 HydrophobicContact CD1-CB 4.11Å; L308-A335 HydrophobicContact CD2-CB 4.03Å; L308-A335 HydrophobicContact CG-CB 3.81Å |
| 309 | N | 78.8 | Confident | 70.2 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.6 | -43.3 | 177.8 | -86.5 | -14 | 0 | 0 | 0 | 113 | V212 Q215 R216 S246 K305 T306 L307 | V212-N309 WeakPolarHBondContact CG2-OD1 3.42Å; Q215-N309 HydrophobicContact CB-CB 4.48Å; Q215-N309 PolarHBondContact NE2-ND2 3.2Å; Q215-N309 PolarHBondContact OE1-ND2 3.48Å; R216-N309 PolarHBondContact NE-O 2.96Å; R216-N309 PolarHBondContact NH2-O 2.9Å; S246-N309 WeakPolarHBondContact CB-OD1 3.31Å; S246-N309 PolarHBondContact OG-OD1 3.44Å; K305-N309 PolarHBondContact O-N 2.95Å; T306-N309 PolarHBondContact O-N 3.49Å; T306-N309 VanDerWaalsContact O-N 3.16Å; L307-N309 VanDerWaalsContact C-N 3.34Å |
| 310 | T | 73 | Confident | 68.1 | Low | 12 Ų | 12 | 32.2 Ų | 32.2 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -80.7 | -25.3 | -174.4 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | T116 Q215 M219 T306 E312 | T116-T310 HydrophobicContact CG2-CG2 4.47Å; Q215-T310 HydrophobicContact CB-CG2 4.27Å; M219-T310 HydrophobicContact CE-CG2 4.03Å; M219-T310 HydrophobicContact CG-CG2 4.03Å; M219-T310 HydrophobicContact SD-CG2 3.45Å; M219-T310 WeakPolarHBondContact SD-CG2 3.09Å; T306-T310 HydrophobicContact CG2-CG2 3.98Å; T306-T310 WeakPolarHBondContact O-CB 3.49Å; T306-T310 WeakPolarHBondContact O-CG2 3.39Å; T306-T310 PolarHBondContact O-N 2.95Å; T306-T310 PolarHBondContact O-OG1 3.33Å; T310-E312 PolarHBondContact O-N 3.32Å |
| 311 | Q | 67.3 | Low | 66.1 | Low | 17 Ų | 17 | 36.9 Ų | 36.9 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | trans | 45.7 | 61.5 | -179.6 | -66.5 | -72.1 | -41.4 | 0 | 0 | 111.6 | R245 L307 L308 S313 I329 | R245-Q311 VanDerWaalsContact NH1-NE2 3.16Å; L307-Q311 PolarHBondContact O-N 2.9Å; L308-Q311 WeakPolarHBondContact O-CG 3.46Å; L308-Q311 PolarHBondContact O-NE2 3.47Å; Q311-S313 PolarHBondContact O-N 3.21Å; Q311-I329 PolarHBondContact NE2-O 2.82Å | ||
| 312 | E | 63.6 | Low | 63.7 | Low | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -64 | 78 | -177 | -67.2 | -179.8 | -150 | 0 | 0 | 112.5 | S120 L121 Q122 M219 T310 H314 T315 | S120-E312 VanDerWaalsContact CA-OE1 3.27Å; S120-E312 WeakPolarHBondContact CA-OE1 3.38Å; S120-E312 PolarHBondContact OG-OE1 3.15Å; L121-E312 WeakPolarHBondContact CA-OE2 3.12Å; L121-E312 WeakPolarHBondContact CB-OE2 3.46Å; L121-E312 PolarHBondContact N-OE1 3.31Å; L121-E312 PolarHBondContact N-OE2 2.85Å; Q122-E312 PolarHBondContact N-OE2 3.19Å; M219-E312 HydrophobicContact CE-CG 3.9Å; T310-E312 PolarHBondContact O-N 3.32Å; E312-H314 PolarHBondContact O-N 3.41Å; E312-H314 VanDerWaalsContact O-N 3.16Å; E312-T315 HydrophobicContact CB-CG2 3.82Å; E312-T315 WeakPolarHBondContact O-CB 3.49Å; E312-T315 PolarHBondContact O-N 3.41Å; E312-T315 PolarHBondContact O-OG1 2.92Å; E312-T315 WeakPolarHBondContact OE2-CG2 3.5Å | ||
| 313 | S | 50.1 | Low | 61.5 | Low | 67 Ų | 67 | 49.2 Ų | 49.2 | 47% | 0.469 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.1 | -37.1 | -171.9 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | Q311 T315 L316 S317 | Q311-S313 PolarHBondContact O-N 3.21Å; S313-T315 VanDerWaalsContact C-N 3.32Å; S313-T315 PolarHBondContact O-N 2.91Å; S313-L316 PolarHBondContact O-N 3.3Å; S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 2.72Å |
| 314 | H | 48 | Very low | 59.1 | Low | 129 Ų | 129 | 53.2 Ų | 53.2 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.8 | -26.6 | 176.5 | -78 | -83.4 | 0 | 0 | 0 | 113.8 | Q122 E312 L316 S317 S318 | Q122-H314 VanDerWaalsContact NE2-CB 3.32Å; E312-H314 PolarHBondContact O-N 3.41Å; E312-H314 VanDerWaalsContact O-N 3.16Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-S317 PolarHBondContact O-N 3.07Å; H314-S318 PolarHBondContact O-N 2.94Å; H314-S318 VanDerWaalsContact O-N 3.16Å; H314-S318 PolarHBondContact O-OG 3.14Å |
| 315 | T | 49.2 | Very low | 56.8 | Low | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 176.2 | 63.1 | 0 | 0 | 0 | 0 | 112 | L121 Q122 E312 S313 S317 S318 A319 L342 | L121-T315 HydrophobicContact CB-CG2 4.34Å; Q122-T315 HydrophobicContact CG-CG2 3.52Å; E312-T315 HydrophobicContact CB-CG2 3.82Å; E312-T315 WeakPolarHBondContact O-CB 3.49Å; E312-T315 PolarHBondContact O-N 3.41Å; E312-T315 PolarHBondContact O-OG1 2.92Å; E312-T315 WeakPolarHBondContact OE2-CG2 3.5Å; S313-T315 VanDerWaalsContact C-N 3.32Å; S313-T315 PolarHBondContact O-N 2.91Å; T315-S317 VanDerWaalsContact C-N 3.3Å; T315-S317 PolarHBondContact O-N 3.32Å; T315-S318 PolarHBondContact O-N 3.05Å; T315-A319 WeakPolarHBondContact O-CB 3.43Å; T315-A319 PolarHBondContact O-N 3.2Å; T315-A319 VanDerWaalsContact O-N 3.11Å; T315-L342 HydrophobicContact CG2-CD1 4.34Å |
| 316 | L | 51.7 | Low | 54.8 | Low | 41 Ų | 41 | 64.2 Ų | 64.2 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 176.2 | -69.3 | 143.8 | 0 | 0 | 0 | 110.8 | S313 H314 A319 I329 | S313-L316 PolarHBondContact O-N 3.3Å; H314-L316 VanDerWaalsContact C-N 3.34Å; L316-A319 PolarHBondContact O-N 3.44Å; L316-I329 HydrophobicContact CD1-CD1 4.16Å; L316-I329 HydrophobicContact CD1-CG1 4.03Å; L316-I329 HydrophobicContact CD2-CD1 4.21Å; L316-I329 HydrophobicContact CD2-CG1 3.95Å; L316-I329 HydrophobicContact CG-CD1 4.37Å; L316-I329 HydrophobicContact CG-CG1 4.43Å |
| 317 | S | 48.2 | Very low | 53.3 | Low | 92 Ų | 92 | 73.7 Ų | 73.7 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.7 | -36.4 | 173.7 | -47.3 | 0 | 0 | 0 | 0 | 113 | S313 H314 T315 | S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 2.72Å; H314-S317 PolarHBondContact O-N 3.07Å; T315-S317 VanDerWaalsContact C-N 3.3Å; T315-S317 PolarHBondContact O-N 3.32Å |
| 318 | S | 46.2 | Very low | 52.3 | Low | 96 Ų | 96 | 76.3 Ų | 76.3 | 67% | 0.671 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -76.9 | -22.2 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | H314 T315 G320 | H314-S318 PolarHBondContact O-N 2.94Å; H314-S318 VanDerWaalsContact O-N 3.16Å; H314-S318 PolarHBondContact O-OG 3.14Å; T315-S318 PolarHBondContact O-N 3.05Å; S318-G320 PolarHBondContact O-N 3.04Å; S318-G320 VanDerWaalsContact O-N 3.09Å |
| 319 | A | 50.4 | Low | 51.4 | Low | 54 Ų | 54 | 76.2 Ų | 76.2 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 15.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | T315 L316 Q321 L342 | T315-A319 WeakPolarHBondContact O-CB 3.43Å; T315-A319 PolarHBondContact O-N 3.2Å; T315-A319 VanDerWaalsContact O-N 3.11Å; L316-A319 PolarHBondContact O-N 3.44Å; A319-Q321 PolarHBondContact O-N 2.9Å; A319-L342 HydrophobicContact CB-CD2 4.29Å |
| 320 | G | 45 | Very low | 50.9 | Low | 68 Ų | 68 | 80.2 Ų | 80.2 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 8.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | S318 S322 | S318-G320 PolarHBondContact O-N 3.04Å; S318-G320 VanDerWaalsContact O-N 3.09Å; G320-S322 PolarHBondContact O-N 3.4Å |
| 321 | Q | 46 | Very low | 51.1 | Low | 125 Ų | 125 | 81.1 Ų | 81.1 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | trans | -81.4 | 98.6 | 171.7 | -73.3 | -166.7 | -27.9 | 0 | 0 | 109.9 | A319 | A319-Q321 PolarHBondContact O-N 2.9Š| ||
| 322 | S | 37.4 | Very low | 51.8 | Low | 106 Ų | 106 | 82.2 Ų | 82.2 | 74% | 0.741 | 50% | 0.498 | S | S | * | . | trans | -56.8 | 137.1 | 177.3 | 32.3 | 0 | 0 | 0 | 0 | 112.9 | G320 | G320-S322 PolarHBondContact O-N 3.4Š| ||
| 323 | Q | 38.8 | Very low | 52.8 | Low | 194 Ų | 194 | 86.9 Ų | 86.9 | 91% | 0.907 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 29.2 | 113.8 | 147.1 | -57.2 | 178.8 | 7.3 | 0 | 0 | 117.6 | ||
| 324 | G | 33.7 | Very low | 54.3 | Low | 84 Ų | 84 | 86.2 Ų | 86.2 | 87% | 0.866 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 135.3 | 10.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 325 | A | 36.4 | Very low | 55.9 | Low | 77 Ų | 77 | 80.1 Ų | 80.1 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | trans | -164.4 | 142.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R327 | A325-R327 HydrophobicContact CB-CB 4.14Å; A325-R327 PolarHBondContact O-N 3.22Å | ||
| 326 | H | 42.8 | Very low | 57.7 | Low | 164 Ų | 164 | 84.5 Ų | 84.5 | 76% | 0.759 | 51% | 0.507 | S | S | * | . | trans | -75.3 | 57.8 | 169.8 | -161.8 | -66.4 | 0 | 0 | 0 | 110.2 | Q328 | H326-Q328 VanDerWaalsContact C-N 3.31Å; H326-Q328 PolarHBondContact O-N 3.02Å | ||
| 327 | R | 51.1 | Low | 59.4 | Low | 199 Ų | 199 | 89.1 Ų | 89.1 | 75% | 0.751 | 52% | 0.522 | S | S | * | . | trans | -78.2 | 78.1 | -163.5 | -156.3 | 167.7 | -173.5 | 162.6 | 1.2 | 111.5 | A325 | A325-R327 HydrophobicContact CB-CB 4.14Å; A325-R327 PolarHBondContact O-N 3.22Å | ||
| 328 | Q | 59.5 | Low | 61 | Low | 57 Ų | 57 | 85.3 Ų | 85.3 | 27% | 0.266 | 50% | 0.495 | S | S | . | . | trans | -44.1 | 138.2 | 173.6 | -66.2 | 164.9 | 10.5 | 0 | 0 | 110.7 | R237 H326 S330 | R237-Q328 PolarHBondContact O-NE2 3.4Å; H326-Q328 VanDerWaalsContact C-N 3.31Å; H326-Q328 PolarHBondContact O-N 3.02Å; Q328-S330 PolarHBondContact O-N 2.83Å | ||
| 329 | I | 63.2 | Low | 62.8 | Low | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 46% | 0.463 | C | S | . | . | trans | -72.4 | 104.9 | -179.2 | -56.8 | 173.9 | 0 | 0 | 0 | 107.3 | R245 L307 L308 Q311 L316 H334 A335 T338 | R245-I329 VanDerWaalsContact CD-O 3.32Å; R245-I329 WeakPolarHBondContact CD-O 3.43Å; L307-I329 HydrophobicContact CD1-CD1 4.02Å; L307-I329 HydrophobicContact CD2-CD1 4.09Å; L307-I329 HydrophobicContact CG-CD1 3.99Å; L308-I329 HydrophobicContact CD2-CB 4.27Å; L308-I329 HydrophobicContact CD2-CG2 3.74Å; L308-I329 WeakPolarHBondContact CD2-O 3.36Å; Q311-I329 PolarHBondContact NE2-O 2.82Å; L316-I329 HydrophobicContact CD1-CD1 4.16Å; L316-I329 HydrophobicContact CD1-CG1 4.03Å; L316-I329 HydrophobicContact CD2-CD1 4.21Å; L316-I329 HydrophobicContact CD2-CG1 3.95Å; L316-I329 HydrophobicContact CG-CD1 4.37Å; L316-I329 HydrophobicContact CG-CG1 4.43Å; I329-H334 HydrophobicContact CG2-CB 4.22Å; I329-A335 HydrophobicContact CG2-CB 4.25Å; I329-T338 HydrophobicContact CD1-CG2 4.07Å | ||
| 330 | S | 67.6 | Low | 64.5 | Low | 84 Ų | 84 | 84.4 Ų | 84.4 | 59% | 0.587 | 47% | 0.466 | S | S | * | . | trans | -103.1 | 129.6 | 174.2 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | Q328 H334 | Q328-S330 PolarHBondContact O-N 2.83Å; S330-H334 WeakPolarHBondContact O-CB 3.49Å | ||
| 331 | G | 76.7 | Confident | 66.3 | Low | 31 Ų | 31 | 88.6 Ų | 88.6 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 83.7 | 149.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | V333 H334 A335 | G331-V333 PolarHBondContact O-N 3.32Å; G331-H334 PolarHBondContact O-N 2.93Å; G331-A335 PolarHBondContact O-N 3.46Å; G331-A335 VanDerWaalsContact O-N 3.11Å |
| 332 | L | 82.8 | Confident | 67.8 | Low | 40 Ų | 40 | 86 Ų | 86 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57 | -44.3 | -177.3 | 178 | 52.3 | 0 | 0 | 0 | 113.2 | T249 T252 L301 C304 H334 A335 F336 | T249-L332 HydrophobicContact CG2-CD1 3.7Å; T252-L332 HydrophobicContact CG2-CD2 4.07Å; L301-L332 HydrophobicContact CD2-CD1 4.29Å; L301-L332 HydrophobicContact CD2-CD2 4.32Å; C304-L332 HydrophobicContact CB-CD1 3.73Å; L332-H334 VanDerWaalsContact C-N 3.28Å; L332-H334 PolarHBondContact O-N 3.07Å; L332-A335 PolarHBondContact O-N 3.37Å; L332-F336 WeakPolarHBondContact O-CB 3.32Å; L332-F336 PolarHBondContact O-N 3.3Å |
| 333 | V | 83.8 | Confident | 69.6 | Low | 110 Ų | 110 | 82.2 Ų | 82.2 | 67% | 0.667 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.9 | -36.5 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | G331 R337 | G331-V333 PolarHBondContact O-N 3.32Å; V333-R337 WeakPolarHBondContact O-CB 3.45Å; V333-R337 PolarHBondContact O-N 3.43Å; V333-R337 VanDerWaalsContact O-N 3.13Å |
| 334 | H | 81.6 | Confident | 71.8 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 25% | 0.25 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.7 | -41.6 | 177.3 | -167.2 | -155.6 | 0 | 0 | 0 | 111.2 | I329 S330 G331 L332 R337 T338 | I329-H334 HydrophobicContact CG2-CB 4.22Å; S330-H334 WeakPolarHBondContact O-CB 3.49Å; G331-H334 PolarHBondContact O-N 2.93Å; L332-H334 VanDerWaalsContact C-N 3.28Å; L332-H334 PolarHBondContact O-N 3.07Å; H334-R337 PolarHBondContact O-N 2.9Å; H334-T338 WeakPolarHBondContact O-CB 3.42Å; H334-T338 PolarHBondContact O-N 3.46Å; H334-T338 PolarHBondContact O-OG1 3.26Å |
| 335 | A | 82.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.8 | -49 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C304 L307 L308 I329 G331 L332 R337 T338 V339 | C304-A335 HydrophobicContact CB-CB 4.09Å; L307-A335 HydrophobicContact CD2-CB 4.33Å; L308-A335 HydrophobicContact CD1-CB 4.11Å; L308-A335 HydrophobicContact CD2-CB 4.03Å; L308-A335 HydrophobicContact CG-CB 3.81Å; I329-A335 HydrophobicContact CG2-CB 4.25Å; G331-A335 PolarHBondContact O-N 3.46Å; G331-A335 VanDerWaalsContact O-N 3.11Å; L332-A335 PolarHBondContact O-N 3.37Å; A335-R337 PolarHBondContact O-N 3.08Å; A335-T338 WeakPolarHBondContact O-CB 3.22Å; A335-T338 PolarHBondContact O-N 2.88Å; A335-T338 VanDerWaalsContact O-N 3.08Å; A335-V339 WeakPolarHBondContact O-CG2 3.43Å; A335-V339 PolarHBondContact O-N 3.4Å |
| 336 | F | 87.1 | Confident | 76.6 | Confident | 99 Ų | 99 | 80.5 Ų | 80.5 | 43% | 0.434 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 178.6 | -166.5 | -83.6 | 0 | 0 | 0 | 111.9 | L332 T338 V339 Y340 F348 | L332-F336 WeakPolarHBondContact O-CB 3.32Å; L332-F336 PolarHBondContact O-N 3.3Å; F336-T338 VanDerWaalsContact C-N 3.28Å; F336-T338 PolarHBondContact O-N 2.89Å; F336-V339 PolarHBondContact O-N 3.1Å; F336-Y340 PolarHBondContact O-N 2.62Å; F336-F348 HydrophobicContact CB-CE1 4.49Å; F336-F348 HydrophobicContact CD1-CE1 4.24Å; F336-F348 AromaticContact CD1-CZ 3.71Å; F336-F348 HydrophobicContact CD1-CZ 3.71Å; F336-F348 HydrophobicContact CD2-CD1 4.3Å; F336-F348 AromaticContact CD2-CE1 3.34Å; F336-F348 HydrophobicContact CD2-CE1 3.34Å; F336-F348 AromaticContact CD2-CZ 3.67Å; F336-F348 HydrophobicContact CD2-CZ 3.67Å; F336-F348 HydrophobicContact CE1-CE1 4.28Å; F336-F348 HydrophobicContact CE1-CE2 4.21Å; F336-F348 AromaticContact CE1-CZ 3.6Å; F336-F348 HydrophobicContact CE1-CZ 3.6Å; F336-F348 HydrophobicContact CE2-CD1 4.1Å; F336-F348 AromaticContact CE2-CE1 3.41Å; F336-F348 HydrophobicContact CE2-CE1 3.41Å; F336-F348 VanDerWaalsContact CE2-CE1 3.41Å; F336-F348 HydrophobicContact CE2-CE2 4.39Å; F336-F348 AromaticContact CE2-CZ 3.57Å; F336-F348 HydrophobicContact CE2-CZ 3.57Å; F336-F348 AromaticContact CG-CE1 3.78Å; F336-F348 HydrophobicContact CG-CE1 3.78Å; F336-F348 AromaticContact CG-CZ 3.73Å; F336-F348 HydrophobicContact CG-CZ 3.73Å; F336-F348 AromaticContact CZ-CE1 3.89Å; F336-F348 HydrophobicContact CZ-CE1 3.89Å; F336-F348 HydrophobicContact CZ-CE2 4.06Å; F336-F348 AromaticContact CZ-CZ 3.53Å; F336-F348 HydrophobicContact CZ-CZ 3.53Å; F336-F348 WeakPolarHBondContact O-CZ 3.44Å |
| 337 | R | 85.9 | Confident | 78.4 | Confident | 137 Ų | 137 | 72.8 Ų | 72.8 | 52% | 0.517 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 175.2 | 177.5 | 174.6 | -82.3 | 142.1 | -6.8 | 112.4 | V333 H334 A335 R341 | V333-R337 WeakPolarHBondContact O-CB 3.45Å; V333-R337 PolarHBondContact O-N 3.43Å; V333-R337 VanDerWaalsContact O-N 3.13Å; H334-R337 PolarHBondContact O-N 2.9Å; A335-R337 PolarHBondContact O-N 3.08Å; R337-R341 WeakPolarHBondContact O-CB 3.44Å; R337-R341 VanDerWaalsContact O-CG 3.3Å; R337-R341 WeakPolarHBondContact O-CG 3.47Å; R337-R341 PolarHBondContact O-N 2.69Å; R337-R341 VanDerWaalsContact O-N 3.07Å |
| 338 | T | 81.9 | Confident | 80.1 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 8% | 0.08 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.1 | -44.8 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 112 | L307 I329 H334 A335 F336 Y340 R341 L342 | L307-T338 HydrophobicContact CD2-CG2 3.97Å; I329-T338 HydrophobicContact CD1-CG2 4.07Å; H334-T338 WeakPolarHBondContact O-CB 3.42Å; H334-T338 PolarHBondContact O-N 3.46Å; H334-T338 PolarHBondContact O-OG1 3.26Å; A335-T338 WeakPolarHBondContact O-CB 3.22Å; A335-T338 PolarHBondContact O-N 2.88Å; A335-T338 VanDerWaalsContact O-N 3.08Å; F336-T338 VanDerWaalsContact C-N 3.28Å; F336-T338 PolarHBondContact O-N 2.89Å; T338-Y340 VanDerWaalsContact C-N 3.35Å; T338-Y340 PolarHBondContact O-N 3.03Å; T338-R341 PolarHBondContact O-N 2.97Å; T338-L342 HydrophobicContact CG2-CD1 3.71Å; T338-L342 HydrophobicContact CG2-CG 4.41Å; T338-L342 WeakPolarHBondContact O-CB 3.28Å; T338-L342 WeakPolarHBondContact O-CG 3.46Å; T338-L342 PolarHBondContact O-N 3.29Å |
| 339 | V | 84.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 174.2 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | L121 V303 L307 A335 F336 R341 L342 G343 F348 | L121-V339 HydrophobicContact CD1-CG2 4.33Å; V303-V339 HydrophobicContact CG1-CG1 4.16Å; V303-V339 HydrophobicContact CG1-CG2 4.04Å; L307-V339 HydrophobicContact CD2-CG2 3.79Å; A335-V339 WeakPolarHBondContact O-CG2 3.43Å; A335-V339 PolarHBondContact O-N 3.4Å; F336-V339 PolarHBondContact O-N 3.1Å; V339-R341 PolarHBondContact O-N 3.49Å; V339-L342 PolarHBondContact O-N 2.85Å; V339-G343 PolarHBondContact O-N 3.26Å; V339-F348 HydrophobicContact CB-CD1 4.23Å; V339-F348 HydrophobicContact CB-CE1 3.74Å; V339-F348 HydrophobicContact CB-CZ 3.95Å; V339-F348 HydrophobicContact CG1-CD1 3.61Å; V339-F348 HydrophobicContact CG1-CD2 4.14Å; V339-F348 HydrophobicContact CG1-CE1 3.62Å; V339-F348 HydrophobicContact CG1-CE2 4.16Å; V339-F348 HydrophobicContact CG1-CG 3.89Å; V339-F348 HydrophobicContact CG1-CZ 3.91Å; V339-F348 HydrophobicContact CG2-CE1 4.48Å |
| 340 | Y | 85.9 | Confident | 82.3 | Confident | 131 Ų | 131 | 69.3 Ų | 69.3 | 51% | 0.514 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.2 | -175.2 | -104.3 | 0 | 0 | 0 | 112.8 | F336 T338 G344 L345 F348 | F336-Y340 PolarHBondContact O-N 2.62Å; T338-Y340 VanDerWaalsContact C-N 3.35Å; T338-Y340 PolarHBondContact O-N 3.03Å; Y340-G344 WeakPolarHBondContact O-CA 3.44Å; Y340-G344 PolarHBondContact O-N 3.29Å; Y340-L345 HydrophobicContact CD2-CD2 4.34Å; Y340-L345 HydrophobicContact CE2-CD2 4.02Å; Y340-L345 HydrophobicContact CE2-CG 4.21Å; Y340-F348 HydrophobicContact CD2-CE2 4.13Å |
| 341 | R | 82.5 | Confident | 82.8 | Confident | 155 Ų | 155 | 65.9 Ų | 65.9 | 59% | 0.585 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.4 | -37.8 | 176.8 | -77.7 | 175.4 | 177.5 | -177.8 | -2.4 | 113.4 | R337 T338 V339 | R337-R341 WeakPolarHBondContact O-CB 3.44Å; R337-R341 VanDerWaalsContact O-CG 3.3Å; R337-R341 WeakPolarHBondContact O-CG 3.47Å; R337-R341 PolarHBondContact O-N 2.69Å; R337-R341 VanDerWaalsContact O-N 3.07Å; T338-R341 PolarHBondContact O-N 2.97Å; V339-R341 PolarHBondContact O-N 3.49Å |
| 342 | L | 78.3 | Confident | 83.2 | Confident | 70 Ų | 70 | 66.2 Ų | 66.2 | 37% | 0.366 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -87.6 | -29.5 | -174.1 | -69.4 | 173.7 | 0 | 0 | 0 | 113.8 | L121 T315 A319 T338 V339 | L121-L342 HydrophobicContact CD1-CD1 3.76Å; T315-L342 HydrophobicContact CG2-CD1 4.34Å; A319-L342 HydrophobicContact CB-CD2 4.29Å; T338-L342 HydrophobicContact CG2-CD1 3.71Å; T338-L342 HydrophobicContact CG2-CG 4.41Å; T338-L342 WeakPolarHBondContact O-CB 3.28Å; T338-L342 WeakPolarHBondContact O-CG 3.46Å; T338-L342 PolarHBondContact O-N 3.29Å; V339-L342 PolarHBondContact O-N 2.85Å |
| 343 | G | 74.5 | Confident | 83.2 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -135 | 4.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V339 G347 | V339-G343 PolarHBondContact O-N 3.26Å; G343-G347 PolarHBondContact O-N 2.97Å |
| 344 | G | 85 | Confident | 82.9 | Confident | 27 Ų | 27 | 65 Ų | 65 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | 57.8 | -151.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y340 Q346 G347 | Y340-G344 WeakPolarHBondContact O-CA 3.44Å; Y340-G344 PolarHBondContact O-N 3.29Å; G344-Q346 VanDerWaalsContact C-N 3.32Å; G344-Q346 PolarHBondContact O-N 3.47Å; G344-G347 PolarHBondContact O-N 3.41Å |
| 345 | L | 86.6 | Confident | 82.8 | Confident | 126 Ų | 126 | 63.5 Ų | 63.5 | 66% | 0.66 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.5 | -33.8 | 176 | -66.6 | 173.8 | 0 | 0 | 0 | 112.7 | Y340 G347 F348 | Y340-L345 HydrophobicContact CD2-CD2 4.34Å; Y340-L345 HydrophobicContact CE2-CD2 4.02Å; Y340-L345 HydrophobicContact CE2-CG 4.21Å; L345-G347 VanDerWaalsContact C-N 3.26Å; L345-G347 PolarHBondContact O-N 3.02Å; L345-F348 PolarHBondContact O-N 2.92Å |
| 346 | Q | 84.4 | Confident | 82.8 | Confident | 167 Ų | 167 | 66 Ų | 66 | 78% | 0.78 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.8 | -26.5 | 178.7 | -66.8 | -176.6 | -4.6 | 0 | 0 | 112.5 | G344 F348 F349 K350 | G344-Q346 VanDerWaalsContact C-N 3.32Å; G344-Q346 PolarHBondContact O-N 3.47Å; Q346-F348 VanDerWaalsContact C-N 3.25Å; Q346-F348 PolarHBondContact O-N 3.13Å; Q346-F349 PolarHBondContact O-N 3.17Å; Q346-F349 VanDerWaalsContact O-N 3.12Å; Q346-K350 PolarHBondContact O-N 2.9Å |
| 347 | G | 81.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.3 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | G343 G344 L345 F349 K350 | G343-G347 PolarHBondContact O-N 2.97Å; G344-G347 PolarHBondContact O-N 3.41Å; L345-G347 VanDerWaalsContact C-N 3.26Å; L345-G347 PolarHBondContact O-N 3.02Å; G347-F349 VanDerWaalsContact C-N 3.26Å; G347-F349 PolarHBondContact O-N 2.71Å; G347-K350 PolarHBondContact O-N 3.02Å |
| 348 | F | 86.8 | Confident | 81.9 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.035 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.9 | 179.7 | -69 | -73.2 | 0 | 0 | 0 | 114.9 | T299 P300 F336 V339 Y340 L345 Q346 | T299-F348 CarbonylContact C-O 3.39Å; T299-F348 WeakPolarHBondContact CG2-O 3.45Å; P300-F348 WeakPolarHBondContact CA-O 3.44Å; P300-F348 HydrophobicContact CB-CB 3.93Å; P300-F348 HydrophobicContact CB-CD1 3.95Å; P300-F348 HydrophobicContact CB-CG 4.26Å; P300-F348 HydrophobicContact CG-CB 4.12Å; F336-F348 HydrophobicContact CB-CE1 4.49Å; F336-F348 HydrophobicContact CD1-CE1 4.24Å; F336-F348 AromaticContact CD1-CZ 3.71Å; F336-F348 HydrophobicContact CD1-CZ 3.71Å; F336-F348 HydrophobicContact CD2-CD1 4.3Å; F336-F348 AromaticContact CD2-CE1 3.34Å; F336-F348 HydrophobicContact CD2-CE1 3.34Å; F336-F348 AromaticContact CD2-CZ 3.67Å; F336-F348 HydrophobicContact CD2-CZ 3.67Å; F336-F348 HydrophobicContact CE1-CE1 4.28Å; F336-F348 HydrophobicContact CE1-CE2 4.21Å; F336-F348 AromaticContact CE1-CZ 3.6Å; F336-F348 HydrophobicContact CE1-CZ 3.6Å; F336-F348 HydrophobicContact CE2-CD1 4.1Å; F336-F348 AromaticContact CE2-CE1 3.41Å; F336-F348 HydrophobicContact CE2-CE1 3.41Å; F336-F348 VanDerWaalsContact CE2-CE1 3.41Å; F336-F348 HydrophobicContact CE2-CE2 4.39Å; F336-F348 AromaticContact CE2-CZ 3.57Å; F336-F348 HydrophobicContact CE2-CZ 3.57Å; F336-F348 AromaticContact CG-CE1 3.78Å; F336-F348 HydrophobicContact CG-CE1 3.78Å; F336-F348 AromaticContact CG-CZ 3.73Å; F336-F348 HydrophobicContact CG-CZ 3.73Å; F336-F348 AromaticContact CZ-CE1 3.89Å; F336-F348 HydrophobicContact CZ-CE1 3.89Å; F336-F348 HydrophobicContact CZ-CE2 4.06Å; F336-F348 AromaticContact CZ-CZ 3.53Å; F336-F348 HydrophobicContact CZ-CZ 3.53Å; F336-F348 WeakPolarHBondContact O-CZ 3.44Å; V339-F348 HydrophobicContact CB-CD1 4.23Å; V339-F348 HydrophobicContact CB-CE1 3.74Å; V339-F348 HydrophobicContact CB-CZ 3.95Å; V339-F348 HydrophobicContact CG1-CD1 3.61Å; V339-F348 HydrophobicContact CG1-CD2 4.14Å; V339-F348 HydrophobicContact CG1-CE1 3.62Å; V339-F348 HydrophobicContact CG1-CE2 4.16Å; V339-F348 HydrophobicContact CG1-CG 3.89Å; V339-F348 HydrophobicContact CG1-CZ 3.91Å; V339-F348 HydrophobicContact CG2-CE1 4.48Å; Y340-F348 HydrophobicContact CD2-CE2 4.13Å; L345-F348 PolarHBondContact O-N 2.92Å; Q346-F348 VanDerWaalsContact C-N 3.25Å; Q346-F348 PolarHBondContact O-N 3.13Å |
| 349 | F | 86.8 | Confident | 81.5 | Confident | 106 Ų | 106 | 61 Ų | 61 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 8.8 | 179.1 | -64.1 | -83.1 | 0 | 0 | 0 | 112.5 | P300 Q346 G347 G351 V352 | P300-F349 HydrophobicContact CG-CE1 4.17Å; P300-F349 HydrophobicContact CG-CZ 4.03Å; Q346-F349 PolarHBondContact O-N 3.17Å; Q346-F349 VanDerWaalsContact O-N 3.12Å; G347-F349 VanDerWaalsContact C-N 3.26Å; G347-F349 PolarHBondContact O-N 2.71Å; F349-G351 PolarHBondContact O-N 3.24Å; F349-V352 HydrophobicContact CB-CB 4.45Å; F349-V352 HydrophobicContact CB-CG1 4.35Å; F349-V352 WeakPolarHBondContact O-CB 3.39Å; F349-V352 VanDerWaalsContact O-CG1 3.28Å; F349-V352 WeakPolarHBondContact O-CG1 3.31Å; F349-V352 PolarHBondContact O-N 2.89Å |
| 350 | K | 81.3 | Confident | 80.8 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 126 | 169.9 | -79.4 | -174.6 | 171.5 | -174.4 | 0 | 109.9 | L121 Q346 G347 V352 | L121-K350 HydrophobicContact CD2-CD 4.15Å; L121-K350 PolarHBondContact O-NZ 3.17Å; Q346-K350 PolarHBondContact O-N 2.9Å; G347-K350 PolarHBondContact O-N 3.02Å; K350-V352 VanDerWaalsContact C-N 3.34Å; K350-V352 PolarHBondContact O-N 2.78Å |
| 351 | G | 78.1 | Confident | 80.1 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F349 Q353 A354 R355 | F349-G351 PolarHBondContact O-N 3.24Å; G351-Q353 VanDerWaalsContact C-N 3.32Å; G351-Q353 PolarHBondContact O-N 2.85Å; G351-A354 WeakPolarHBondContact O-CA 3.37Å; G351-A354 VanDerWaalsContact O-CB 3.32Å; G351-A354 WeakPolarHBondContact O-CB 3.5Å; G351-A354 PolarHBondContact O-N 2.88Å; G351-R355 PolarHBondContact O-N 2.66Å |
| 352 | V | 84.8 | Confident | 79.4 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.1 | -45.1 | 178.4 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | A296 T299 F349 K350 A354 R355 V356 | A296-V352 HydrophobicContact CB-CG2 4.23Å; T299-V352 HydrophobicContact CG2-CB 4.02Å; T299-V352 HydrophobicContact CG2-CG2 4.37Å; F349-V352 HydrophobicContact CB-CB 4.45Å; F349-V352 HydrophobicContact CB-CG1 4.35Å; F349-V352 WeakPolarHBondContact O-CB 3.39Å; F349-V352 VanDerWaalsContact O-CG1 3.28Å; F349-V352 WeakPolarHBondContact O-CG1 3.31Å; F349-V352 PolarHBondContact O-N 2.89Å; K350-V352 VanDerWaalsContact C-N 3.34Å; K350-V352 PolarHBondContact O-N 2.78Å; V352-A354 VanDerWaalsContact C-N 3.29Å; V352-A354 PolarHBondContact O-N 2.86Å; V352-R355 PolarHBondContact O-N 2.98Å; V352-V356 HydrophobicContact CG2-CG2 4.46Å; V352-V356 WeakPolarHBondContact O-CG2 3.36Å; V352-V356 PolarHBondContact O-N 3.39Å |
| 353 | Q | 82.8 | Confident | 78.9 | Confident | 125 Ų | 125 | 56.2 Ų | 56.2 | 58% | 0.584 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 176.5 | -72.5 | -177.4 | -24.6 | 0 | 0 | 112.1 | G351 I357 | G351-Q353 VanDerWaalsContact C-N 3.32Å; G351-Q353 PolarHBondContact O-N 2.85Å; Q353-I357 VanDerWaalsContact O-CB 3.29Å; Q353-I357 WeakPolarHBondContact O-CB 3.17Å; Q353-I357 WeakPolarHBondContact O-CD1 3.48Å; Q353-I357 WeakPolarHBondContact O-CG1 3.1Å; Q353-I357 PolarHBondContact O-N 3.28Å |
| 354 | A | 78.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | M118 V132 G351 V352 V356 I357 Y358 | M118-A354 HydrophobicContact CE-CB 4.43Å; M118-A354 HydrophobicContact SD-CB 3.89Å; V132-A354 HydrophobicContact CG2-CB 3.84Å; G351-A354 WeakPolarHBondContact O-CA 3.37Å; G351-A354 VanDerWaalsContact O-CB 3.32Å; G351-A354 WeakPolarHBondContact O-CB 3.5Å; G351-A354 PolarHBondContact O-N 2.88Å; V352-A354 VanDerWaalsContact C-N 3.29Å; V352-A354 PolarHBondContact O-N 2.86Å; A354-V356 VanDerWaalsContact C-N 3.35Å; A354-V356 PolarHBondContact O-N 3.4Å; A354-I357 PolarHBondContact O-N 3.47Å; A354-Y358 VanDerWaalsContact C-CD2 3.41Å; A354-Y358 HydrophobicContact CB-CD2 4.35Å; A354-Y358 HydrophobicContact CB-CE2 3.54Å; A354-Y358 WeakPolarHBondContact O-CD1 3.19Å; A354-Y358 WeakPolarHBondContact O-CD2 3.24Å; A354-Y358 WeakPolarHBondContact O-CE2 3.27Å; A354-Y358 PolarHBondContact O-N 2.81Å |
| 355 | R | 79.5 | Confident | 77.8 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 179.8 | -161.7 | -173.2 | 174.9 | 174.5 | -0 | 113.3 | A295 T298 D302 G351 V352 Y358 | A295-R355 HydrophobicContact CB-CG 3.89Å; A295-R355 PolarHBondContact O-NH1 3.15Å; T298-R355 PolarHBondContact O-NH1 2.87Å; T298-R355 VanDerWaalsContact OG1-CZ 3.24Å; T298-R355 PolarHBondContact OG1-NH1 2.94Å; T298-R355 PolarHBondContact OG1-NH2 3.46Å; D302-R355 VanDerWaalsContact CB-NH1 3.31Å; D302-R355 IonicContact OD2-CZ 2.69Å; D302-R355 IonicContact OD2-NE 2.81Å; D302-R355 IonicContact OD2-NH1 3.29Å; G351-R355 PolarHBondContact O-N 2.66Å; V352-R355 PolarHBondContact O-N 2.98Å; R355-Y358 PolarHBondContact O-N 3.41Å |
| 356 | V | 82.3 | Confident | 76.8 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 176.4 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | A292 A296 V352 A354 Y358 Q359 | A292-V356 HydrophobicContact CB-CG1 3.89Å; A296-V356 HydrophobicContact CB-CG2 4.26Å; V352-V356 HydrophobicContact CG2-CG2 4.46Å; V352-V356 WeakPolarHBondContact O-CG2 3.36Å; V352-V356 PolarHBondContact O-N 3.39Å; A354-V356 VanDerWaalsContact C-N 3.35Å; A354-V356 PolarHBondContact O-N 3.4Å; V356-Y358 PolarHBondContact O-N 2.89Å; V356-Q359 PolarHBondContact O-N 3.38Å |
| 357 | I | 80.3 | Confident | 75.9 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -31.8 | 179.9 | -70.6 | 167 | 0 | 0 | 0 | 111.4 | V132 Q353 A354 Q359 P361 | V132-I357 HydrophobicContact CG2-CD1 4.46Å; Q353-I357 VanDerWaalsContact O-CB 3.29Å; Q353-I357 WeakPolarHBondContact O-CB 3.17Å; Q353-I357 WeakPolarHBondContact O-CD1 3.48Å; Q353-I357 WeakPolarHBondContact O-CG1 3.1Å; Q353-I357 PolarHBondContact O-N 3.28Å; A354-I357 PolarHBondContact O-N 3.47Å; I357-Q359 VanDerWaalsContact C-N 3.33Å; I357-Q359 PolarHBondContact O-N 2.95Å; I357-P361 WeakPolarHBondContact O-CD 3.11Å |
| 358 | Y | 73.6 | Confident | 75.4 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.2 | -19.5 | -179.9 | -59 | -29.8 | 0 | 0 | 0 | 115 | I111 V114 K115 V132 A354 R355 V356 M360 P361 S362 | I111-Y358 HydrophobicContact CB-CE1 4.49Å; I111-Y358 HydrophobicContact CG2-CD1 3.13Å; I111-Y358 HydrophobicContact CG2-CD2 4.32Å; I111-Y358 HydrophobicContact CG2-CE1 3.13Å; I111-Y358 HydrophobicContact CG2-CE2 4.34Å; I111-Y358 HydrophobicContact CG2-CG 3.77Å; I111-Y358 PolarHBondContact O-OH 3.04Å; V114-Y358 WeakPolarHBondContact CB-OH 3.2Å; V114-Y358 WeakPolarHBondContact CG1-OH 3.38Å; K115-Y358 HydrophobicContact CB-CD2 4.05Å; K115-Y358 HydrophobicContact CB-CE2 3.44Å; K115-Y358 VanDerWaalsContact CB-CE2 3.44Å; K115-Y358 HydrophobicContact CD-CD2 4.42Å; K115-Y358 HydrophobicContact CG-CD2 4Å; K115-Y358 HydrophobicContact CG-CE2 3.72Å; K115-Y358 PolarHBondContact N-OH 3.47Å; V132-Y358 HydrophobicContact CB-CE1 4.28Å; V132-Y358 HydrophobicContact CG1-CE1 3.52Å; V132-Y358 HydrophobicContact CG2-CE1 3.73Å; V132-Y358 WeakPolarHBondContact CG2-OH 3.27Å; A354-Y358 VanDerWaalsContact C-CD2 3.41Å; A354-Y358 HydrophobicContact CB-CD2 4.35Å; A354-Y358 HydrophobicContact CB-CE2 3.54Å; A354-Y358 WeakPolarHBondContact O-CD1 3.19Å; A354-Y358 WeakPolarHBondContact O-CD2 3.24Å; A354-Y358 WeakPolarHBondContact O-CE2 3.27Å; A354-Y358 PolarHBondContact O-N 2.81Å; R355-Y358 PolarHBondContact O-N 3.41Å; V356-Y358 PolarHBondContact O-N 2.89Å; Y358-M360 VanDerWaalsContact C-N 3.32Å; Y358-M360 PolarHBondContact O-N 3.33Å; Y358-P361 WeakPolarHBondContact O-CD 3.34Å; Y358-S362 VanDerWaalsContact O-CB 3.31Å; Y358-S362 WeakPolarHBondContact O-CB 3.11Å; Y358-S362 PolarHBondContact O-N 3.37Å |
| 359 | Q | 72.4 | Confident | 74.4 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 179 | -171.8 | 62 | 58 | 0 | 0 | 111.7 | V356 I357 S362 T363 | V356-Q359 PolarHBondContact O-N 3.38Å; I357-Q359 VanDerWaalsContact C-N 3.33Å; I357-Q359 PolarHBondContact O-N 2.95Å; Q359-S362 PolarHBondContact O-N 3.44Å; Q359-T363 PolarHBondContact NE2-OG1 3.37Å; Q359-T363 WeakPolarHBondContact O-CB 3.27Å; Q359-T363 PolarHBondContact O-N 3.39Å; Q359-T363 PolarHBondContact O-OG1 2.87Å; Q359-T363 VanDerWaalsContact O-OG1 3.13Å |
| 360 | M | 70.4 | Confident | 73.3 | Confident | 139 Ų | 139 | 50.9 Ų | 50.9 | 69% | 0.685 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.9 | -48.2 | -175.6 | -176.9 | -172.7 | 108.3 | 0 | 0 | 113 | Y358 A364 | Y358-M360 VanDerWaalsContact C-N 3.32Å; Y358-M360 PolarHBondContact O-N 3.33Å; M360-A364 WeakPolarHBondContact O-CB 3.32Å; M360-A364 PolarHBondContact O-N 3.4Å |
| 361 | P | 71.9 | Confident | 72.7 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 171 | -24.6 | 34.9 | 0 | 0 | 0 | 113.5 | M108 I357 Y358 A364 I365 | M108-P361 HydrophobicContact SD-CB 4.35Å; I357-P361 WeakPolarHBondContact O-CD 3.11Å; Y358-P361 WeakPolarHBondContact O-CD 3.34Å; P361-A364 PolarHBondContact O-N 2.81Å; P361-I365 WeakPolarHBondContact O-CB 3.38Å; P361-I365 WeakPolarHBondContact O-CD1 3.46Å; P361-I365 VanDerWaalsContact O-CG1 3.27Å; P361-I365 WeakPolarHBondContact O-CG1 3.4Å; P361-I365 PolarHBondContact O-N 2.92Å |
| 362 | S | 67.8 | Low | 72.5 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -56.2 | 178.3 | -148.6 | 0 | 0 | 0 | 0 | 110.1 | Y358 Q359 A364 I365 S366 | Y358-S362 VanDerWaalsContact O-CB 3.31Å; Y358-S362 WeakPolarHBondContact O-CB 3.11Å; Y358-S362 PolarHBondContact O-N 3.37Å; Q359-S362 PolarHBondContact O-N 3.44Å; S362-A364 VanDerWaalsContact C-N 3.31Å; S362-A364 PolarHBondContact O-N 3.41Å; S362-I365 PolarHBondContact O-N 3.45Å; S362-I365 VanDerWaalsContact O-N 3.09Å; S362-S366 PolarHBondContact O-N 3.15Å; S362-S366 PolarHBondContact O-OG 2.91Å |
| 363 | T | 67.3 | Low | 71.7 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | Q359 W367 | Q359-T363 PolarHBondContact NE2-OG1 3.37Å; Q359-T363 WeakPolarHBondContact O-CB 3.27Å; Q359-T363 PolarHBondContact O-N 3.39Å; Q359-T363 PolarHBondContact O-OG1 2.87Å; Q359-T363 VanDerWaalsContact O-OG1 3.13Å; T363-W367 VanDerWaalsContact O-CB 3.27Å; T363-W367 WeakPolarHBondContact O-CB 3.27Å; T363-W367 PolarHBondContact O-N 3.39Å |
| 364 | A | 68.3 | Low | 71 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M360 P361 S362 S368 | M360-A364 WeakPolarHBondContact O-CB 3.32Å; M360-A364 PolarHBondContact O-N 3.4Å; P361-A364 PolarHBondContact O-N 2.81Å; S362-A364 VanDerWaalsContact C-N 3.31Å; S362-A364 PolarHBondContact O-N 3.41Å; A364-S368 WeakPolarHBondContact O-CB 3.33Å; A364-S368 PolarHBondContact O-N 3.04Å; A364-S368 PolarHBondContact O-OG 3.46Å |
| 365 | I | 69.1 | Low | 70.8 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.9 | -52.3 | 175.8 | -71.6 | 163.7 | 0 | 0 | 0 | 110 | E104 L107 M108 P361 S362 W367 S368 V369 | E104-I365 HydrophobicContact CB-CG2 4.42Å; E104-I365 HydrophobicContact CG-CG2 4.19Å; L107-I365 HydrophobicContact CB-CD1 4.21Å; L107-I365 HydrophobicContact CB-CG2 4.35Å; L107-I365 HydrophobicContact CD1-CG2 3.84Å; M108-I365 HydrophobicContact CG-CD1 4.06Å; M108-I365 HydrophobicContact SD-CD1 3.67Å; P361-I365 WeakPolarHBondContact O-CB 3.38Å; P361-I365 WeakPolarHBondContact O-CD1 3.46Å; P361-I365 VanDerWaalsContact O-CG1 3.27Å; P361-I365 WeakPolarHBondContact O-CG1 3.4Å; P361-I365 PolarHBondContact O-N 2.92Å; S362-I365 PolarHBondContact O-N 3.45Å; S362-I365 VanDerWaalsContact O-N 3.09Å; I365-W367 VanDerWaalsContact C-N 3.26Å; I365-W367 PolarHBondContact O-N 2.9Å; I365-S368 PolarHBondContact O-N 3.4Å; I365-S368 VanDerWaalsContact O-N 3.15Å; I365-V369 HydrophobicContact CG2-CG2 4.07Å; I365-V369 WeakPolarHBondContact O-CB 3.4Å; I365-V369 WeakPolarHBondContact O-CG2 3.25Å; I365-V369 PolarHBondContact O-N 3.13Å |
| 366 | S | 64.8 | Low | 70.4 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.2 | -42.4 | 178.8 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | E104 S362 Y370 | E104-S366 PolarHBondContact OE1-OG 3.17Å; E104-S366 WeakPolarHBondContact OE2-CB 3.35Å; E104-S366 PolarHBondContact OE2-OG 2.66Å; S362-S366 PolarHBondContact O-N 3.15Å; S362-S366 PolarHBondContact O-OG 2.91Å; S366-Y370 VanDerWaalsContact O-CB 3.28Å; S366-Y370 WeakPolarHBondContact O-CB 3.22Å; S366-Y370 PolarHBondContact O-N 2.81Å |
| 367 | W | 66.5 | Low | 69.9 | Low | 91 Ų | 91 | 60.5 Ų | 60.5 | 35% | 0.345 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 177.6 | -162.3 | 77.6 | 0 | 0 | 0 | 112.6 | Y81 T363 I365 V369 Y370 E371 | Y81-W367 PolarHBondContact OH-NE1 3.08Å; T363-W367 VanDerWaalsContact O-CB 3.27Å; T363-W367 WeakPolarHBondContact O-CB 3.27Å; T363-W367 PolarHBondContact O-N 3.39Å; I365-W367 VanDerWaalsContact C-N 3.26Å; I365-W367 PolarHBondContact O-N 2.9Å; W367-V369 VanDerWaalsContact C-N 3.32Å; W367-V369 PolarHBondContact O-N 2.79Å; W367-Y370 PolarHBondContact O-N 2.98Å; W367-E371 HydrophobicContact CD2-CG 4.18Å; W367-E371 HydrophobicContact CE3-CG 4.26Å; W367-E371 HydrophobicContact CH2-CG 4.16Å; W367-E371 HydrophobicContact CZ2-CG 4.07Å; W367-E371 HydrophobicContact CZ3-CG 4.25Å; W367-E371 PolarHBondContact O-N 3.05Å |
| 368 | S | 69.5 | Low | 69.5 | Low | 75 Ų | 75 | 59.3 Ų | 59.3 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | A364 I365 F372 | A364-S368 WeakPolarHBondContact O-CB 3.33Å; A364-S368 PolarHBondContact O-N 3.04Å; A364-S368 PolarHBondContact O-OG 3.46Å; I365-S368 PolarHBondContact O-N 3.4Å; I365-S368 VanDerWaalsContact O-N 3.15Å; S368-F372 WeakPolarHBondContact O-CB 3.39Å; S368-F372 PolarHBondContact O-N 3.12Å; S368-F372 VanDerWaalsContact O-N 3.1Å |
| 369 | V | 65.6 | Low | 69.6 | Low | 9 Ų | 9 | 64.6 Ų | 64.6 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | A100 M103 I365 W367 F372 F373 | A100-V369 HydrophobicContact CB-CG1 3.47Å; A100-V369 VanDerWaalsContact CB-CG1 3.47Å; M103-V369 HydrophobicContact CE-CB 4.49Å; M103-V369 HydrophobicContact CE-CG1 3.99Å; M103-V369 HydrophobicContact CE-CG2 4Å; M103-V369 HydrophobicContact CG-CG2 4.41Å; I365-V369 HydrophobicContact CG2-CG2 4.07Å; I365-V369 WeakPolarHBondContact O-CB 3.4Å; I365-V369 WeakPolarHBondContact O-CG2 3.25Å; I365-V369 PolarHBondContact O-N 3.13Å; W367-V369 VanDerWaalsContact C-N 3.32Å; W367-V369 PolarHBondContact O-N 2.79Å; V369-F372 PolarHBondContact O-N 2.86Å; V369-F373 HydrophobicContact CG1-CD2 3.85Å; V369-F373 HydrophobicContact CG1-CE2 3.86Å; V369-F373 VanDerWaalsContact O-CD2 3.26Å; V369-F373 WeakPolarHBondContact O-CD2 3.37Å; V369-F373 PolarHBondContact O-N 3.02Å |
| 370 | Y | 64.6 | Low | 69.7 | Low | 57 Ų | 57 | 68 Ų | 68 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 177.4 | 176.6 | -98.7 | 0 | 0 | 0 | 112.3 | Y81 G83 L84 S366 W367 F372 F373 K374 | Y81-Y370 PolarHBondContact O-OH 2.8Å; G83-Y370 PolarHBondContact O-OH 2.95Å; G83-Y370 VanDerWaalsContact O-OH 3.07Å; L84-Y370 HydrophobicContact CD2-CE2 4.38Å; S366-Y370 VanDerWaalsContact O-CB 3.28Å; S366-Y370 WeakPolarHBondContact O-CB 3.22Å; S366-Y370 PolarHBondContact O-N 2.81Å; W367-Y370 PolarHBondContact O-N 2.98Å; Y370-F372 VanDerWaalsContact C-N 3.32Å; Y370-F372 PolarHBondContact O-N 3.35Å; Y370-F373 PolarHBondContact O-N 3.34Å; Y370-F373 VanDerWaalsContact O-N 3.16Å; Y370-K374 HydrophobicContact CE1-CD 3.9Å; Y370-K374 WeakPolarHBondContact O-CB 3.34Å; Y370-K374 PolarHBondContact O-N 3.19Å |
| 371 | E | 68.8 | Low | 69.7 | Low | 65 Ų | 65 | 64.9 Ų | 64.9 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 178.5 | -76.4 | -62.6 | 116.9 | 0 | 0 | 112.2 | W367 K374 Y375 | W367-E371 HydrophobicContact CD2-CG 4.18Å; W367-E371 HydrophobicContact CE3-CG 4.26Å; W367-E371 HydrophobicContact CH2-CG 4.16Å; W367-E371 HydrophobicContact CZ2-CG 4.07Å; W367-E371 HydrophobicContact CZ3-CG 4.25Å; W367-E371 PolarHBondContact O-N 3.05Å; E371-K374 PolarHBondContact O-N 3.31Å; E371-K374 IonicContact OE1-NZ 3.38Å; E371-Y375 VanDerWaalsContact O-CB 3.29Å; E371-Y375 WeakPolarHBondContact O-CB 3.3Å; E371-Y375 PolarHBondContact O-N 3.29Å |
| 372 | F | 73.2 | Confident | 69.8 | Low | 135 Ų | 135 | 67.5 Ų | 67.5 | 59% | 0.592 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 173.1 | 177.8 | -95 | 0 | 0 | 0 | 112.4 | S368 V369 Y370 G376 | S368-F372 WeakPolarHBondContact O-CB 3.39Å; S368-F372 PolarHBondContact O-N 3.12Å; S368-F372 VanDerWaalsContact O-N 3.1Å; V369-F372 PolarHBondContact O-N 2.86Å; Y370-F372 VanDerWaalsContact C-N 3.32Å; Y370-F372 PolarHBondContact O-N 3.35Å; F372-G376 PolarHBondContact O-N 3.3Å |
| 373 | F | 69 | Low | 70.2 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 176.8 | -85.8 | -70.2 | 0 | 0 | 0 | 112.7 | A96 V99 A100 M103 V369 Y370 G376 L377 | A96-F373 HydrophobicContact CB-CD1 4.11Å; A96-F373 HydrophobicContact CB-CG 4.49Å; V99-F373 HydrophobicContact CB-CE1 4.32Å; V99-F373 HydrophobicContact CB-CZ 3.73Å; V99-F373 HydrophobicContact CG1-CE1 4.44Å; V99-F373 HydrophobicContact CG1-CZ 3.65Å; A100-F373 HydrophobicContact CB-CD2 3.95Å; A100-F373 HydrophobicContact CB-CE2 3.83Å; M103-F373 HydrophobicContact CE-CE2 4.09Å; V369-F373 HydrophobicContact CG1-CD2 3.85Å; V369-F373 HydrophobicContact CG1-CE2 3.86Å; V369-F373 VanDerWaalsContact O-CD2 3.26Å; V369-F373 WeakPolarHBondContact O-CD2 3.37Å; V369-F373 PolarHBondContact O-N 3.02Å; Y370-F373 PolarHBondContact O-N 3.34Å; Y370-F373 VanDerWaalsContact O-N 3.16Å; F373-G376 PolarHBondContact O-N 2.95Å; F373-L377 WeakPolarHBondContact O-CG 3.19Å; F373-L377 PolarHBondContact O-N 3.37Å |
| 374 | K | 66.9 | Low | 70.6 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 176.2 | -172.8 | 173.9 | 179.9 | 176.7 | 0 | 110.9 | Y370 E371 G376 L377 T378 | Y370-K374 HydrophobicContact CE1-CD 3.9Å; Y370-K374 WeakPolarHBondContact O-CB 3.34Å; Y370-K374 PolarHBondContact O-N 3.19Å; E371-K374 PolarHBondContact O-N 3.31Å; E371-K374 IonicContact OE1-NZ 3.38Å; K374-G376 VanDerWaalsContact C-N 3.34Å; K374-G376 PolarHBondContact O-N 3.22Å; K374-L377 PolarHBondContact O-N 3.08Å; K374-T378 WeakPolarHBondContact O-CB 3.41Å; K374-T378 PolarHBondContact O-N 3.2Å; K374-T378 PolarHBondContact O-OG1 2.9Å; K374-T378 VanDerWaalsContact O-OG1 3.1Å |
| 375 | Y | 74.6 | Confident | 70.9 | Confident | 149 Ų | 149 | 74.4 Ų | 74.4 | 58% | 0.584 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.4 | -44.4 | 174.1 | 177.4 | -97.1 | 0 | 0 | 0 | 112.3 | E371 K379 | E371-Y375 VanDerWaalsContact O-CB 3.29Å; E371-Y375 WeakPolarHBondContact O-CB 3.3Å; E371-Y375 PolarHBondContact O-N 3.29Å; Y375-K379 HydrophobicContact CE1-CD 3.94Å; Y375-K379 WeakPolarHBondContact O-CB 3.36Å; Y375-K379 PolarHBondContact O-N 3.45Å |
| 376 | G | 72.6 | Confident | 71.3 | Confident | 38 Ų | 38 | 79.9 Ų | 79.9 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F372 F373 K374 H380 | F372-G376 PolarHBondContact O-N 3.3Å; F373-G376 PolarHBondContact O-N 2.95Å; K374-G376 VanDerWaalsContact C-N 3.34Å; K374-G376 PolarHBondContact O-N 3.22Å; G376-H380 PolarHBondContact O-N 3.41Å |
| 377 | L | 70.3 | Confident | 71.9 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 18% | 0.183 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -49.6 | 179 | -74.7 | 167.1 | 0 | 0 | 0 | 112.1 | L84 T92 A96 F373 K374 K379 H380 Q381 | L84-L377 HydrophobicContact CD1-CD1 4.15Å; L84-L377 HydrophobicContact CD2-CD1 3.79Å; T92-L377 HydrophobicContact CG2-CD1 4.42Å; T92-L377 HydrophobicContact CG2-CD2 3.53Å; A96-L377 HydrophobicContact CB-CD1 4.5Å; F373-L377 WeakPolarHBondContact O-CG 3.19Å; F373-L377 PolarHBondContact O-N 3.37Å; K374-L377 PolarHBondContact O-N 3.08Å; L377-K379 VanDerWaalsContact C-N 3.3Å; L377-K379 PolarHBondContact O-N 3.4Å; L377-H380 PolarHBondContact O-N 3.43Å; L377-H380 VanDerWaalsContact O-N 3.11Å; L377-Q381 PolarHBondContact O-N 3.49Å |
| 378 | T | 71.8 | Confident | 72.4 | Confident | 69 Ų | 69 | 83.5 Ų | 83.5 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | K374 H380 Q381 H382 | K374-T378 WeakPolarHBondContact O-CB 3.41Å; K374-T378 PolarHBondContact O-N 3.2Å; K374-T378 PolarHBondContact O-OG1 2.9Å; K374-T378 VanDerWaalsContact O-OG1 3.1Å; T378-H380 PolarHBondContact O-N 3.35Å; T378-Q381 PolarHBondContact O-N 3Å; T378-H382 WeakPolarHBondContact O-CB 3.2Å; T378-H382 PolarHBondContact O-N 2.9Å |
| 379 | K | 77 | Confident | 72.7 | Confident | 124 Ų | 124 | 85.9 Ų | 85.9 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.4 | -173.7 | 175.3 | -176 | 171.9 | 0 | 112.1 | Y375 L377 N383 | Y375-K379 HydrophobicContact CE1-CD 3.94Å; Y375-K379 WeakPolarHBondContact O-CB 3.36Å; Y375-K379 PolarHBondContact O-N 3.45Å; L377-K379 VanDerWaalsContact C-N 3.3Å; L377-K379 PolarHBondContact O-N 3.4Å; K379-N383 WeakPolarHBondContact O-CB 3.28Å; K379-N383 PolarHBondContact O-N 2.9Å |
| 380 | H | 73.1 | Confident | 73.3 | Confident | 111 Ų | 111 | 90.6 Ų | 90.6 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.8 | -44 | 177.2 | -170.5 | 7.6 | 0 | 0 | 0 | 112.1 | G376 L377 T378 N383 N384 | G376-H380 PolarHBondContact O-N 3.41Å; L377-H380 PolarHBondContact O-N 3.43Å; L377-H380 VanDerWaalsContact O-N 3.11Å; T378-H380 PolarHBondContact O-N 3.35Å; H380-N383 PolarHBondContact O-N 2.88Å; H380-N384 PolarHBondContact CE1-ND2 3.23Å; H380-N384 PolarHBondContact CE1-OD1 2.68Å; H380-N384 PolarHBondContact ND1-OD1 2.87Å; H380-N384 PolarHBondContact O-N 3.46Å; H380-N384 PolarHBondContact O-OD1 3.46Å |
| 381 | Q | 71.6 | Confident | 73.7 | Confident | 72 Ų | 72 | 95.3 Ų | 95.3 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 174.5 | -73.3 | 175.4 | -42 | 0 | 0 | 111.2 | L377 T378 N383 N384 M385 | L377-Q381 PolarHBondContact O-N 3.49Å; T378-Q381 PolarHBondContact O-N 3Å; Q381-N383 VanDerWaalsContact C-N 3.31Å; Q381-N383 PolarHBondContact O-N 3.07Å; Q381-N384 PolarHBondContact O-N 2.91Å; Q381-M385 PolarHBondContact O-N 3.09Å |
| 382 | H | 74.1 | Confident | 73.9 | Confident | 98 Ų | 98 | 96.2 Ų | 96.2 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 179 | -160.8 | 92.2 | 0 | 0 | 0 | 112.4 | T378 R386 | T378-H382 WeakPolarHBondContact O-CB 3.2Å; T378-H382 PolarHBondContact O-N 2.9Å; H382-R386 PolarHBondContact CD2-NE 3.18Å; H382-R386 PolarHBondContact NE2-NE 3.44Å; H382-R386 WeakPolarHBondContact O-CG 3.38Å; H382-R386 PolarHBondContact O-N 2.89Å; H382-R386 VanDerWaalsContact O-N 3.09Å |
| 383 | N | 76.4 | Confident | 73.8 | Confident | 87 Ų | 87 | 97 Ų | 97 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.3 | -37.1 | 175.1 | -160.4 | 57.8 | 0 | 0 | 0 | 112.5 | K379 H380 Q381 R386 I387 | K379-N383 WeakPolarHBondContact O-CB 3.28Å; K379-N383 PolarHBondContact O-N 2.9Å; H380-N383 PolarHBondContact O-N 2.88Å; Q381-N383 VanDerWaalsContact C-N 3.31Å; Q381-N383 PolarHBondContact O-N 3.07Å; N383-R386 PolarHBondContact O-N 3Å; N383-I387 VanDerWaalsContact O-CG1 3.32Å; N383-I387 WeakPolarHBondContact O-CG1 3.43Å; N383-I387 PolarHBondContact O-N 3.32Å |
| 384 | N | 75.8 | Confident | 73.5 | Confident | 72 Ų | 72 | 103.3 Ų | 103.3 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.2 | -72.6 | -2.9 | 0 | 0 | 0 | 111.6 | H380 Q381 R386 I387 Q388 | H380-N384 PolarHBondContact CE1-ND2 3.23Å; H380-N384 PolarHBondContact CE1-OD1 2.68Å; H380-N384 PolarHBondContact ND1-OD1 2.87Å; H380-N384 PolarHBondContact O-N 3.46Å; H380-N384 PolarHBondContact O-OD1 3.46Å; Q381-N384 PolarHBondContact O-N 2.91Å; N384-R386 VanDerWaalsContact C-N 3.35Å; N384-R386 PolarHBondContact O-N 3.07Å; N384-I387 PolarHBondContact O-N 3.38Å; N384-Q388 WeakPolarHBondContact O-CG 3.26Å; N384-Q388 PolarHBondContact O-N 3.39Å |
| 385 | M | 74.6 | Confident | 73.8 | Confident | 101 Ų | 101 | 105.6 Ų | 105.6 | 50% | 0.498 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 174.6 | -71.5 | -172.6 | -70.8 | 0 | 0 | 112 | Q381 I387 Q388 H389 | Q381-M385 PolarHBondContact O-N 3.09Å; M385-I387 PolarHBondContact O-N 3.34Å; M385-Q388 PolarHBondContact O-N 3.01Å; M385-H389 PolarHBondContact O-N 2.93Å |
| 386 | R | 77.5 | Confident | 73.8 | Confident | 152 Ų | 152 | 103.3 Ų | 103.3 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.5 | -43.7 | 172.9 | -76.3 | 178.7 | 176.7 | -147.6 | -4.5 | 112.7 | H382 N383 N384 Q388 H389 I390 | H382-R386 PolarHBondContact CD2-NE 3.18Å; H382-R386 PolarHBondContact NE2-NE 3.44Å; H382-R386 WeakPolarHBondContact O-CG 3.38Å; H382-R386 PolarHBondContact O-N 2.89Å; H382-R386 VanDerWaalsContact O-N 3.09Å; N383-R386 PolarHBondContact O-N 3Å; N384-R386 VanDerWaalsContact C-N 3.35Å; N384-R386 PolarHBondContact O-N 3.07Å; R386-Q388 VanDerWaalsContact C-N 3.3Å; R386-Q388 PolarHBondContact O-N 2.73Å; R386-H389 PolarHBondContact O-N 3.32Å; R386-I390 VanDerWaalsContact O-CG1 3.31Å; R386-I390 WeakPolarHBondContact O-CG1 3.3Å; R386-I390 PolarHBondContact O-N 3.22Å |
| 387 | I | 77.4 | Confident | 73.8 | Confident | 74 Ų | 74 | 106.9 Ų | 106.9 | 38% | 0.379 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 177.2 | -69.3 | 163.7 | 0 | 0 | 0 | 111.3 | N383 N384 M385 K391 | N383-I387 VanDerWaalsContact O-CG1 3.32Å; N383-I387 WeakPolarHBondContact O-CG1 3.43Å; N383-I387 PolarHBondContact O-N 3.32Å; N384-I387 PolarHBondContact O-N 3.38Å; M385-I387 PolarHBondContact O-N 3.34Å; I387-K391 HydrophobicContact CG2-CD 4.3Å; I387-K391 WeakPolarHBondContact O-CB 3.44Å; I387-K391 VanDerWaalsContact O-CG 3.29Å; I387-K391 WeakPolarHBondContact O-CG 3.21Å; I387-K391 PolarHBondContact O-N 2.91Å; I387-K391 VanDerWaalsContact O-N 3.17Å |
| 388 | Q | 76 | Confident | 74.1 | Confident | 133 Ų | 133 | 111.1 Ų | 111.1 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.8 | -43.1 | 174.6 | -75.6 | 174.8 | -30.4 | 0 | 0 | 112.2 | N384 M385 R386 K391 A392 | N384-Q388 WeakPolarHBondContact O-CG 3.26Å; N384-Q388 PolarHBondContact O-N 3.39Å; M385-Q388 PolarHBondContact O-N 3.01Å; R386-Q388 VanDerWaalsContact C-N 3.3Å; R386-Q388 PolarHBondContact O-N 2.73Å; Q388-K391 CarbonylContact O-C 3.58Å; Q388-K391 PolarHBondContact O-N 2.88Å; Q388-A392 PolarHBondContact O-N 3.3Å; Q388-A392 VanDerWaalsContact O-N 3.08Å |
| 389 | H | 75.2 | Confident | 74.2 | Confident | 125 Ų | 125 | 113.8 Ų | 113.8 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.8 | -50.5 | 173.3 | -103.7 | -86.5 | 0 | 0 | 0 | 112.1 | M385 R386 K391 A392 E393 | M385-H389 PolarHBondContact O-N 2.93Å; R386-H389 PolarHBondContact O-N 3.32Å; H389-K391 PolarHBondContact O-N 2.97Å; H389-A392 PolarHBondContact O-N 2.84Å; H389-E393 IonicContact ND1-OE1 3.07Å; H389-E393 PolarHBondContact O-N 2.8Å; H389-E393 VanDerWaalsContact O-N 3.12Å |
| 390 | I | 78.9 | Confident | 74 | Confident | 108 Ų | 108 | 113.1 Ų | 113.1 | 55% | 0.554 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.1 | -31.1 | 178.6 | -66.3 | 164.3 | 0 | 0 | 0 | 111.7 | R386 V394 | R386-I390 VanDerWaalsContact O-CG1 3.31Å; R386-I390 WeakPolarHBondContact O-CG1 3.3Å; R386-I390 PolarHBondContact O-N 3.22Å; I390-V394 WeakPolarHBondContact O-CG2 3.45Å |
| 391 | K | 74 | Confident | 74.1 | Confident | 156 Ų | 156 | 113.2 Ų | 113.2 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -9 | 175.2 | -75.8 | -179.7 | 177.2 | -172 | 0 | 114.9 | I387 Q388 H389 | I387-K391 HydrophobicContact CG2-CD 4.3Å; I387-K391 WeakPolarHBondContact O-CB 3.44Å; I387-K391 VanDerWaalsContact O-CG 3.29Å; I387-K391 WeakPolarHBondContact O-CG 3.21Å; I387-K391 PolarHBondContact O-N 2.91Å; I387-K391 VanDerWaalsContact O-N 3.17Å; Q388-K391 CarbonylContact O-C 3.58Å; Q388-K391 PolarHBondContact O-N 2.88Å; H389-K391 PolarHBondContact O-N 2.97Å |
| 392 | A | 71.7 | Confident | 74.3 | Confident | 84 Ų | 84 | 116.4 Ų | 116.4 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -16.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q388 H389 | Q388-A392 PolarHBondContact O-N 3.3Å; Q388-A392 VanDerWaalsContact O-N 3.08Å; H389-A392 PolarHBondContact O-N 2.84Å |
| 393 | E | 71.2 | Confident | 74.3 | Confident | 151 Ų | 151 | 117.9 Ų | 117.9 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | trans | -93.2 | -1.6 | 175.9 | -68.9 | 169.9 | -169.7 | 0 | 0 | 113.2 | H389 | H389-E393 IonicContact ND1-OE1 3.07Å; H389-E393 PolarHBondContact O-N 2.8Å; H389-E393 VanDerWaalsContact O-N 3.12Å | ||
| 394 | V | 62.8 | Low | 74.1 | Confident | 172 Ų | 172 | 120.7 Ų | 120.7 | 100% | 1.042 | 61% | 0.61 | S | S | * | * | trans | -122 | 0 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | I390 | I390-V394 WeakPolarHBondContact O-CG2 3.45Š|
Retrieved 394 of 394 residues in 98.9 ms
(Link to these results)