| 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 | 43.3 | Very low | 41.3 | Very low | 253 Ų | 253 | 140.4 Ų | 140.4 | 100% | 1.246 | 86% | 0.859 | S | S | * | * | 0 | 111.6 | 0 | -58.2 | -176 | -179.3 | 0 | 0 | 105.6 | |||||
| 2 | G | 34.8 | Very low | 40.5 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | cis | 142.8 | 106.7 | 20.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 3 | S | 47.5 | Very low | 40.6 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 84% | 0.844 | S | S | * | * | trans | -65.9 | 173.4 | 176.5 | -46.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | P | 61.1 | Low | 40.8 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | -137.9 | 160.8 | 76.3 | 26.9 | -5.7 | 0 | 0 | 0 | 112.4 | |||||
| 5 | G | 40.3 | Very low | 40.5 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 84% | 0.838 | S | S | * | * | cis | 103.1 | 103.9 | 25.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 6 | C | 45.3 | Very low | 40.5 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 93% | 0.926 | 84% | 0.837 | S | S | * | * | trans | -156.2 | 101.6 | 156.3 | -120.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | D | 42.6 | Very low | 40.1 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -88.9 | 158.2 | 166.4 | -67.2 | -62.8 | 0 | 0 | 0 | 111.7 | ||||
| 8 | R | 37.3 | Very low | 39.6 | Very low | 238 Ų | 238 | 140.7 Ų | 140.7 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | trans | -177.1 | 112.3 | 137.4 | -108 | 177.4 | 178.1 | 179.1 | -0.4 | 108.1 | ||||
| 9 | E | 36.8 | Very low | 39.1 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | 43.2 | 131.3 | 70.5 | -68.7 | -158.2 | 129.8 | 0 | 0 | 113.2 | |||||
| 10 | G | 33.6 | Very low | 38.5 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | cis | -161.9 | -157.7 | 2.8 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 11 | S | 32.1 | Very low | 38.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | cis | -177 | 146.7 | 3.7 | -158 | 0 | 0 | 0 | 0 | 106 | ||||
| 12 | T | 31.7 | Very low | 37.4 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 65.2 | 122.2 | 136.6 | -54.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 13 | V | 41.4 | Very low | 37.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -57 | 157.6 | 164.1 | -148.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 14 | P | 43.7 | Very low | 36.4 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -149.8 | 163.2 | 86.8 | 33.8 | -12.8 | 0 | 0 | 0 | 115.8 | |||||
| 15 | L | 35.3 | Very low | 35 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -60 | 164.3 | 162.4 | -68.7 | 165.7 | 0 | 0 | 0 | 112 | ||||
| 16 | P | 41.1 | Very low | 34.5 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | -136.2 | 146.4 | 124.7 | 27.6 | -10.5 | 0 | 0 | 0 | 115.4 | |||||
| 17 | L | 33.9 | Very low | 33.6 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 141.2 | 162.4 | -96.7 | 144.7 | 0 | 0 | 0 | 112.2 | ||||
| 18 | M | 31.7 | Very low | 32.9 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -161.1 | 105.4 | 148.7 | -82.4 | -71 | 129 | 0 | 0 | 104.6 | ||||
| 19 | S | 29.4 | Very low | 32.5 | Very low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | 74 | 111.8 | 64 | -168.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 20 | F | 27.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 74% | 0.737 | 79% | 0.786 | S | S | * | * | trans | 66.3 | 122.9 | 148.6 | -83.7 | -103.7 | 0 | 0 | 0 | 121.5 | ||||
| 21 | S | 29.2 | Very low | 32 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | -161.5 | 134.1 | 107.7 | -109.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 22 | D | 29.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | -58.6 | 151.9 | 176.8 | -60.2 | -78.7 | 0 | 0 | 0 | 115.2 | ||||
| 23 | Y | 28.1 | Very low | 31.7 | Very low | 243 Ų | 243 | 144.3 Ų | 144.3 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -145.1 | 117.6 | 130.5 | -120.6 | -88 | 0 | 0 | 0 | 109.4 | ||||
| 24 | S | 32.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | trans | -102 | 169.7 | 174.5 | -75 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 25 | H | 31.5 | Very low | 30.5 | Very low | 182 Ų | 182 | 152 Ų | 152 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | 90.6 | 135.5 | 165.2 | -78.6 | 33.3 | 0 | 0 | 0 | 116.4 | ||||
| 26 | S | 29.7 | Very low | 30.3 | Very low | 107 Ų | 107 | 153.1 Ų | 153.1 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | cis | -179.8 | 156.8 | 4 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 27 | G | 26.9 | Very low | 29.7 | Very low | 71 Ų | 71 | 155.2 Ų | 155.2 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 86.8 | 105.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 28 | S | 27.8 | Very low | 29.5 | Very low | 127 Ų | 127 | 154 Ų | 154 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | 69.3 | 114.2 | 75.6 | -167.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 29 | A | 29.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -172.1 | 98.4 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 30 | L | 29.6 | Very low | 29.7 | Very low | 171 Ų | 171 | 157 Ų | 157 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -77.2 | 136.5 | 147.1 | -87.1 | 160.7 | 0 | 0 | 0 | 108.8 | ||||
| 31 | R | 29.6 | Very low | 30.5 | Very low | 239 Ų | 239 | 154.2 Ų | 154.2 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -175.3 | 106.8 | 147.9 | -98.5 | 179.5 | -134.1 | -120.8 | 7.3 | 105.8 | ||||
| 32 | A | 30.8 | Very low | 30.9 | Very low | 84 Ų | 84 | 154.4 Ų | 154.4 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | 58.7 | 108.2 | 83.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 33 | W | 26.9 | Very low | 31 | Very low | 263 Ų | 263 | 161.3 Ų | 161.3 | 100% | 0.996 | 83% | 0.832 | S | S | * | * | -155.5 | 128.1 | 126 | -91.3 | -23.4 | 0 | 0 | 0 | 112.2 | |||||
| 34 | E | 30.2 | Very low | 31 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | -66.5 | 153.3 | 167 | -66.1 | 158.6 | 123.6 | 0 | 0 | 111.2 | ||||
| 35 | K | 29.9 | Very low | 30.9 | Very low | 216 Ų | 216 | 156.3 Ų | 156.3 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | -149.3 | 138.8 | 133.6 | -136.7 | 176.7 | -177.3 | -177.6 | 0 | 110.9 | ||||
| 36 | E | 31.8 | Very low | 30.7 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -96.6 | -178.5 | -161 | -161.3 | -179.1 | 172.6 | 0 | 0 | 112.2 | ||||
| 37 | E | 28.7 | Very low | 30.6 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | 103.2 | 105.8 | 165.8 | -58.5 | -140.5 | 140.4 | 0 | 0 | 115.9 | ||||
| 38 | D | 29.7 | Very low | 30.9 | Very low | 129 Ų | 129 | 157.5 Ų | 157.5 | 69% | 0.69 | 83% | 0.83 | S | S | * | * | 99.4 | 107.6 | 52 | -167.7 | 8 | 0 | 0 | 0 | 110.6 | |||||
| 39 | T | 30 | Very low | 31 | Very low | 144 Ų | 144 | 157.4 Ų | 157.4 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -172.3 | 125.9 | 132.1 | 15.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 40 | K | 34.8 | Very low | 31 | Very low | 189 Ų | 189 | 160.9 Ų | 160.9 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -83.3 | 161 | 178.3 | -174.8 | 169.8 | -178 | -178.9 | 0 | 111.8 | ||||
| 41 | P | 44.3 | Very low | 30.9 | Very low | 110 Ų | 110 | 160.2 Ų | 160.2 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | trans | -96.7 | 174.1 | -168.8 | 38.4 | -32 | 0 | 0 | 0 | 112.9 | ||||
| 42 | P | 36.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 155 Ų | 155 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -106.7 | 144.7 | 165.3 | 34.5 | -23.8 | 0 | 0 | 0 | 113.6 | ||||
| 43 | R | 31.6 | Very low | 30.7 | Very low | 255 Ų | 255 | 155.4 Ų | 155.4 | 96% | 0.962 | 81% | 0.813 | S | S | * | * | trans | -96.3 | 156.2 | 165.1 | -79.8 | -178.4 | 171.3 | -176.2 | -2.3 | 110.2 | ||||
| 44 | G | 28.3 | Very low | 31.5 | Very low | 73 Ų | 73 | 148.4 Ų | 148.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 110.4 | 143.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 45 | L | 30.3 | Very low | 31.4 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | cis | -161.6 | 149.4 | 1.1 | -90.8 | 167.9 | 0 | 0 | 0 | 106.6 | ||||
| 46 | I | 28.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 46.8 | 117.9 | 141.8 | -53.6 | 169.2 | 0 | 0 | 0 | 117 | ||||
| 47 | S | 27.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | -172.9 | 137.1 | 97.3 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 48 | V | 31.6 | Very low | 31.3 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -85.5 | 146.7 | 161.7 | 172.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 49 | P | 31.5 | Very low | 31.5 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | -132.6 | 142.8 | 124.4 | 11.7 | 9.7 | 0 | 0 | 0 | 113.5 | |||||
| 50 | K | 27.7 | Very low | 31.4 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -74.9 | 139.8 | 163.1 | -70.1 | 173.5 | 169.5 | 175.1 | 0 | 110.1 | ||||
| 51 | H | 28.2 | Very low | 31.6 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 154.5 | 148 | 112.4 | -97.5 | -80.6 | 0 | 0 | 0 | 113.1 | |||||
| 52 | T | 27.2 | Very low | 31 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | 76.8 | 110.2 | 155 | 48 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 53 | A | 28.5 | Very low | 31.6 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -76.9 | -174.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | P | 44.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -131.8 | 161 | -11.3 | 37.9 | -21.4 | 0 | 0 | 0 | 113.6 | ||||
| 55 | E | 26.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 179.3 | 135.4 | 129.5 | -104.8 | -154.8 | 127.5 | 0 | 0 | 113.1 | |||||
| 56 | R | 28 | Very low | 33.3 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 48 | 126.9 | 143.7 | -69.7 | -171.5 | 170.2 | 127.4 | 7.5 | 121.6 | ||||
| 57 | S | 30.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 75.7 | 105.5 | 136.4 | -178.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 58 | L | 31.3 | Very low | 34.4 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | -153.5 | 122.3 | 114.6 | -97.8 | 165.6 | 0 | 0 | 0 | 109.3 | |||||
| 59 | Q | 33.2 | Very low | 35.1 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 154.8 | 164.2 | -76.9 | 172.8 | -20.4 | 0 | 0 | 110.6 | ||||
| 60 | G | 27.8 | Very low | 35.8 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 127 | 137.2 | 155 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 61 | V | 38.7 | Very low | 36.5 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | cis | -164 | 124.6 | 0 | 176.4 | 0 | 0 | 0 | 0 | 103 | ||||
| 62 | F | 32.9 | Very low | 37.3 | Very low | 206 Ų | 206 | 142.5 Ų | 142.5 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -152.4 | 87.9 | 155.3 | -118.2 | -82.4 | 0 | 0 | 0 | 111.4 | ||||
| 63 | L | 48.1 | Very low | 37.9 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | 42.7 | 150.3 | 145.9 | -83.4 | 107.4 | 0 | 0 | 0 | 124.5 | ||||
| 64 | P | 45.7 | Very low | 38.2 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -119.7 | 80.7 | -147.8 | 35.9 | -15.5 | 0 | 0 | 0 | 111.1 | ||||
| 65 | C | 37.3 | Very low | 37.8 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -110.5 | -4.4 | 175.7 | -157.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 66 | F | 43.8 | Very low | 38.7 | Very low | 143 Ų | 143 | 148 Ų | 148 | 63% | 0.627 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -99.8 | -10 | -171.5 | -84.9 | -85.5 | 0 | 0 | 0 | 115.3 | M68 L140 | F66-M68 VanDerWaalsContact C-N 3.34Å; F66-M68 PolarHBondContact O-N 3.45Å; F66-L140 HydrophobicContact CE1-CD1 3.99Å; F66-L140 HydrophobicContact CE1-CD2 4.32Å; F66-L140 HydrophobicContact CZ-CB 4.4Å; F66-L140 HydrophobicContact CZ-CD1 4.15Å; F66-L140 HydrophobicContact CZ-CD2 3.85Å; F66-L140 HydrophobicContact CZ-CG 4.37Å |
| 67 | D | 40.1 | Very low | 39.1 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 1.4 | -177.1 | -89 | -33 | 0 | 0 | 0 | 115.1 | ||
| 68 | M | 39.1 | Very low | 39.3 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 84% | 0.837 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 12.5 | -174.2 | -155.1 | 176 | 57.9 | 0 | 0 | 114.7 | F66 | F66-M68 VanDerWaalsContact C-N 3.34Å; F66-M68 PolarHBondContact O-N 3.45Å |
| 69 | L | 45.3 | Very low | 39.3 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -120.7 | 13.3 | -179.8 | -71.6 | 175 | 0 | 0 | 0 | 114.5 | ||
| 70 | L | 47.1 | Very low | 39 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -108.6 | 14.6 | -179.6 | -95.3 | 162.7 | 0 | 0 | 0 | 115 | ||||
| 71 | T | 41.7 | Very low | 39 | Very low | 126 Ų | 126 | 152 Ų | 152 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -110.8 | 110.4 | 171.7 | -34.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 72 | E | 45.5 | Very low | 38.6 | Very low | 176 Ų | 176 | 153.7 Ų | 153.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 79.3 | 76.3 | 174.2 | -60.7 | -172.6 | 123.2 | 0 | 0 | 117.7 | ||
| 73 | N | 38.9 | Very low | 38.5 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | -178.6 | 88.1 | 116 | -95.9 | -14.2 | 0 | 0 | 0 | 110.4 | |||||
| 74 | S | 36.4 | Very low | 37.8 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -130.5 | 78.4 | 167.8 | -72.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 75 | S | 34.7 | Very low | 37.4 | Very low | 88 Ų | 88 | 148.4 Ų | 148.4 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | trans | -116.7 | 5.9 | 171.4 | 78.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 76 | W | 46.4 | Very low | 37.5 | Very low | 236 Ų | 236 | 148.9 Ų | 148.9 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -126.4 | 21.8 | -176 | -68 | 113.7 | 0 | 0 | 0 | 117 | ||||
| 77 | L | 37.7 | Very low | 37.2 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -107.4 | 98.3 | 170.8 | -72 | 175.6 | 0 | 0 | 0 | 112.4 | ||
| 78 | L | 33.4 | Very low | 36.7 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | trans | 67.9 | 104.9 | 139.5 | -152.5 | 73.9 | 0 | 0 | 0 | 117.8 | ||||
| 79 | K | 32.1 | Very low | 36.7 | Very low | 208 Ų | 208 | 145.9 Ų | 145.9 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -120.4 | 91.3 | 151.1 | -156.4 | 167 | -176.9 | 175.9 | 0 | 109.3 | ||||
| 80 | K | 26.7 | Very low | 35.6 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -107.1 | 122.8 | 157.1 | -100.5 | -170.1 | 176.6 | -175.4 | 0 | 107.7 | ||||
| 81 | S | 28.2 | Very low | 34.7 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -141.8 | 119.7 | 159.3 | -73.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 82 | D | 29.9 | Very low | 34.4 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -94.9 | 114.3 | -176.2 | -143.9 | -32.5 | 0 | 0 | 0 | 107.8 | ||||
| 83 | V | 31 | Very low | 33.7 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -155.1 | 109.1 | 158.2 | 174 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 84 | A | 31.8 | Very low | 33.5 | Very low | 83 Ų | 83 | 145.7 Ų | 145.7 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | trans | -77.6 | 161.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 85 | P | 37.3 | Very low | 33.2 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | cis | -149.3 | -153 | 39.1 | 42.5 | -18.9 | 0 | 0 | 0 | 112.8 | ||||
| 86 | P | 40.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | cis | -123.2 | 175.7 | -19.2 | 36 | -17 | 0 | 0 | 0 | 114.9 | ||||
| 87 | V | 37.2 | Very low | 32.4 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 82% | 0.818 | S | S | * | * | trans | -75.8 | 140.8 | -179.2 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 88 | L | 30.2 | Very low | 32.4 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | 160.8 | 160.5 | 132.1 | -91.2 | 174.7 | 0 | 0 | 0 | 113.9 | ||||
| 89 | P | 38.1 | Very low | 32.5 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | -114.8 | 163 | -112.9 | 38.5 | -24.3 | 0 | 0 | 0 | 114.4 | |||||
| 90 | C | 23.6 | Very low | 32.8 | Very low | 135 Ų | 135 | 140 Ų | 140 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -128 | 133.8 | 169.6 | -85 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 91 | K | 28.1 | Very low | 33.5 | Very low | 207 Ų | 207 | 136 Ų | 136 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | -74.5 | 155.1 | -166.7 | -69.6 | 170.5 | 173.7 | 173.1 | 0 | 112.5 | ||||
| 92 | A | 35.4 | Very low | 34.1 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -47.8 | 138.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 93 | L | 29.6 | Very low | 34.8 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -134.1 | 110.9 | 154.8 | -152.8 | 133.8 | 0 | 0 | 0 | 107.8 | ||||
| 94 | E | 35.4 | Very low | 35 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -66.2 | 147.5 | 173.1 | -62.3 | -153 | 122.1 | 0 | 0 | 111.6 | ||||
| 95 | Q | 30.2 | Very low | 35.6 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | 147.7 | 112.2 | 125.6 | -82.2 | 161.5 | 11.3 | 0 | 0 | 110.5 | |||||
| 96 | C | 24.5 | Very low | 35.5 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -123.6 | 137.7 | 152.1 | -75.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 97 | P | 39.2 | Very low | 35.6 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -76 | 144 | -165.8 | 29.8 | -32.7 | 0 | 0 | 0 | 112 | I99 | P97-I99 PolarHBondContact O-N 2.9Š| ||
| 98 | V | 37.3 | Very low | 35.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -65.9 | 121.8 | 171.5 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 99 | I | 36.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -127.7 | 103.5 | 149.6 | -60 | 178.9 | 0 | 0 | 0 | 107.2 | P97 | P97-I99 PolarHBondContact O-N 2.9Š| ||
| 100 | N | 38.6 | Very low | 36.6 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -65.5 | 133.7 | 163.9 | -91.9 | -26 | 0 | 0 | 0 | 109.3 | ||||
| 101 | S | 41.7 | Very low | 37.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -174.2 | 106.9 | 136.5 | -76.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 102 | Q | 39.7 | Very low | 38.1 | Very low | 191 Ų | 191 | 129.1 Ų | 129.1 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 55.5 | 102.6 | 133.6 | -65.9 | 170.4 | -13.6 | 0 | 0 | 120 | ||||
| 103 | G | 45.6 | Very low | 38.3 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | 46.6 | 105.5 | 126.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 104 | L | 35.9 | Very low | 39.2 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 93% | 0.927 | 76% | 0.758 | S | S | * | * | trans | -157.9 | 123.5 | 140.2 | -98.4 | 163.2 | 0 | 0 | 0 | 107.5 | ||||
| 105 | G | 44.4 | Very low | 39.8 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | trans | -67.2 | 137.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 106 | L | 35.6 | Very low | 40.8 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -124.1 | 131 | 170.6 | -144.3 | 77.2 | 0 | 0 | 0 | 108.4 | S108 | L106-S108 PolarHBondContact O-N 3.4Š| ||
| 107 | P | 40.5 | Very low | 42.3 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -76.2 | 123 | -176.8 | 28.9 | -30.9 | 0 | 0 | 0 | 110.8 | G109 | P107-G109 VanDerWaalsContact C-N 3.28Å; P107-G109 PolarHBondContact O-N 3.42Å | ||
| 108 | S | 40.8 | Very low | 43.4 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 95% | 0.951 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -69.4 | 70.4 | 175.3 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | L106 | L106-S108 PolarHBondContact O-N 3.4Š|
| 109 | G | 43.2 | Very low | 44.8 | Very low | 53 Ų | 53 | 123 Ų | 123 | 55% | 0.546 | 71% | 0.71 | S | S | . | * | trans | -144.8 | 5.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | P107 | P107-G109 VanDerWaalsContact C-N 3.28Å; P107-G109 PolarHBondContact O-N 3.42Å | ||
| 110 | L | 43.6 | Very low | 46.1 | Very low | 125 Ų | 125 | 117.4 Ų | 117.4 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -110.4 | -9.5 | -171.9 | -67.9 | 176.3 | 0 | 0 | 0 | 116 | ||
| 111 | E | 42 | Very low | 47.7 | Very low | 173 Ų | 173 | 116.8 Ų | 116.8 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.8 | -40.5 | 177.9 | -80.5 | 177.2 | 127.2 | 0 | 0 | 112.7 | Q113 V114 | E111-Q113 VanDerWaalsContact C-N 3.3Å; E111-Q113 PolarHBondContact O-N 2.87Å; E111-V114 PolarHBondContact O-N 2.7Å |
| 112 | G | 41.7 | Very low | 48.9 | Very low | 48 Ų | 48 | 115.5 Ų | 115.5 | 50% | 0.495 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.5 | -24.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E116 | G112-E116 WeakPolarHBondContact O-CB 3.5Å; G112-E116 PolarHBondContact O-N 3.26Å; G112-E116 VanDerWaalsContact O-N 3.14Å |
| 113 | Q | 38.2 | Very low | 50.2 | Low | 124 Ų | 124 | 112 Ų | 112 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.2 | -24.5 | -177.2 | -144.9 | 176.5 | 59.8 | 0 | 0 | 112.6 | E111 R117 | E111-Q113 VanDerWaalsContact C-N 3.3Å; E111-Q113 PolarHBondContact O-N 2.87Å; Q113-R117 WeakPolarHBondContact O-CG 3.46Å |
| 114 | V | 48.6 | Very low | 51.4 | Low | 106 Ų | 106 | 111.7 Ų | 111.7 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.7 | -39.6 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | E111 C118 | E111-V114 PolarHBondContact O-N 2.7Å; V114-C118 WeakPolarHBondContact O-CB 3.48Å; V114-C118 PolarHBondContact O-N 3.45Å; V114-C118 VanDerWaalsContact O-N 3.16Å |
| 115 | E | 49.5 | Very low | 53.1 | Low | 137 Ų | 137 | 109.2 Ų | 109.2 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 175.4 | -76.4 | 179 | 146.2 | 0 | 0 | 112.3 | R117 C118 L119 | E115-R117 PolarHBondContact O-N 3.39Å; E115-C118 PolarHBondContact O-N 3.14Å; E115-L119 WeakPolarHBondContact O-CD1 3Å; E115-L119 PolarHBondContact O-N 3.21Å |
| 116 | E | 50.1 | Low | 54.6 | Low | 117 Ų | 117 | 109 Ų | 109 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.7 | -43.8 | 178 | -170.4 | 178.2 | -172.2 | 0 | 0 | 111.7 | G112 C118 L119 E120 | G112-E116 WeakPolarHBondContact O-CB 3.5Å; G112-E116 PolarHBondContact O-N 3.26Å; G112-E116 VanDerWaalsContact O-N 3.14Å; E116-C118 VanDerWaalsContact C-N 3.31Å; E116-C118 PolarHBondContact O-N 2.77Å; E116-L119 PolarHBondContact O-N 2.97Å; E116-E120 VanDerWaalsContact O-CB 3.22Å; E116-E120 WeakPolarHBondContact O-CB 3.3Å; E116-E120 VanDerWaalsContact O-CG 3.3Å; E116-E120 WeakPolarHBondContact O-CG 3.38Å; E116-E120 PolarHBondContact O-N 3.12Å |
| 117 | R | 55.1 | Low | 56.7 | Low | 177 Ų | 177 | 105.1 Ų | 105.1 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.6 | -30.4 | 178.1 | -65.7 | -80.5 | -80.5 | 155.2 | 0.1 | 112.7 | Q113 E115 Q121 | Q113-R117 WeakPolarHBondContact O-CG 3.46Å; E115-R117 PolarHBondContact O-N 3.39Å; R117-Q121 PolarHBondContact O-N 3.2Å |
| 118 | C | 63.7 | Low | 58.5 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 52% | 0.52 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -75.3 | -44.8 | 177.2 | -152.8 | 0 | 0 | 0 | 0 | 111.1 | V114 E115 E116 E120 Q121 V122 | V114-C118 WeakPolarHBondContact O-CB 3.48Å; V114-C118 PolarHBondContact O-N 3.45Å; V114-C118 VanDerWaalsContact O-N 3.16Å; E115-C118 PolarHBondContact O-N 3.14Å; E116-C118 VanDerWaalsContact C-N 3.31Å; E116-C118 PolarHBondContact O-N 2.77Å; C118-E120 VanDerWaalsContact C-N 3.32Å; C118-E120 PolarHBondContact O-N 2.79Å; C118-Q121 PolarHBondContact O-N 2.92Å; C118-V122 VanDerWaalsContact O-CG2 3.24Å; C118-V122 WeakPolarHBondContact O-CG2 3.24Å; C118-V122 PolarHBondContact O-N 3.39Å |
| 119 | L | 66.7 | Low | 60.4 | Low | 106 Ų | 106 | 101.1 Ų | 101.1 | 56% | 0.555 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.8 | -44.2 | 174.4 | -83.8 | 153.9 | 0 | 0 | 0 | 112 | E115 E116 V122 Q123 | E115-L119 WeakPolarHBondContact O-CD1 3Å; E115-L119 PolarHBondContact O-N 3.21Å; E116-L119 PolarHBondContact O-N 2.97Å; L119-V122 PolarHBondContact O-N 2.94Å; L119-Q123 VanDerWaalsContact O-CG 3.26Å; L119-Q123 WeakPolarHBondContact O-CG 3.3Å; L119-Q123 PolarHBondContact O-N 3.42Å |
| 120 | E | 62.5 | Low | 62.4 | Low | 46 Ų | 46 | 100.6 Ų | 100.6 | 22% | 0.215 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -55.5 | -55.2 | 173.7 | -90.7 | -166.7 | 160.1 | 0 | 0 | 112 | E116 C118 V122 Q123 S124 H259 | E116-E120 VanDerWaalsContact O-CB 3.22Å; E116-E120 WeakPolarHBondContact O-CB 3.3Å; E116-E120 VanDerWaalsContact O-CG 3.3Å; E116-E120 WeakPolarHBondContact O-CG 3.38Å; E116-E120 PolarHBondContact O-N 3.12Å; C118-E120 VanDerWaalsContact C-N 3.32Å; C118-E120 PolarHBondContact O-N 2.79Å; E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 2.84Å; E120-Q123 WeakPolarHBondContact O-CB 3.42Å; E120-Q123 PolarHBondContact O-N 3.02Å; E120-Q123 VanDerWaalsContact O-N 3.11Å; E120-S124 PolarHBondContact O-N 3.16Å; E120-H259 VanDerWaalsContact C-CE1 3.49Å; E120-H259 VanDerWaalsContact CA-NE2 3.29Å; E120-H259 WeakPolarHBondContact CA-NE2 3.4Å; E120-H259 WeakPolarHBondContact CB-CD2 3.37Å; E120-H259 WeakPolarHBondContact CB-NE2 3.4Å; E120-H259 WeakPolarHBondContact CG-CD2 3.2Å; E120-H259 PolarHBondContact O-CE1 3.31Å; E120-H259 PolarHBondContact O-NE2 3.32Å; E120-H259 IonicContact OE1-CD2 3.21Å; E120-H259 IonicContact OE2-CD2 2.77Å; E120-H259 PolarHBondContact OE2-CD2 3.06Å |
| 121 | Q | 73.5 | Confident | 64.4 | Low | 127 Ų | 127 | 97.7 Ų | 97.7 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | 178.4 | -178.5 | 172.6 | -18.6 | 0 | 0 | 112.5 | R117 C118 S124 M125 | R117-Q121 PolarHBondContact O-N 3.2Å; C118-Q121 PolarHBondContact O-N 2.92Å; Q121-S124 PolarHBondContact O-N 3.27Å; Q121-M125 HydrophobicContact CG-SD 4.46Å; Q121-M125 WeakPolarHBondContact O-CG 3.22Å; Q121-M125 PolarHBondContact O-N 2.98Å |
| 122 | V | 67.3 | Low | 66.4 | Low | 78 Ų | 78 | 96.2 Ų | 96.2 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.8 | C118 L119 E120 S124 M125 V126 | C118-V122 VanDerWaalsContact O-CG2 3.24Å; C118-V122 WeakPolarHBondContact O-CG2 3.24Å; C118-V122 PolarHBondContact O-N 3.39Å; L119-V122 PolarHBondContact O-N 2.94Å; E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 2.84Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.43Å; V122-M125 PolarHBondContact O-N 3.45Å; V122-V126 HydrophobicContact CG1-CG2 4.32Å; V122-V126 VanDerWaalsContact O-CG2 3.26Å; V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3Å |
| 123 | Q | 65.5 | Low | 68.5 | Low | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -39.5 | 176.2 | -73.6 | 171.1 | 14.7 | 0 | 0 | 112.4 | L119 E120 L127 | L119-Q123 VanDerWaalsContact O-CG 3.26Å; L119-Q123 WeakPolarHBondContact O-CG 3.3Å; L119-Q123 PolarHBondContact O-N 3.42Å; E120-Q123 WeakPolarHBondContact O-CB 3.42Å; E120-Q123 PolarHBondContact O-N 3.02Å; E120-Q123 VanDerWaalsContact O-N 3.11Å; Q123-L127 WeakPolarHBondContact O-CB 3.43Å; Q123-L127 PolarHBondContact O-N 3.21Å |
| 124 | S | 71.6 | Confident | 70.9 | Confident | 68 Ų | 68 | 92.6 Ų | 92.6 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 176.5 | -172.4 | 0 | 0 | 0 | 0 | 112.7 | E120 Q121 V122 G128 | E120-S124 PolarHBondContact O-N 3.16Å; Q121-S124 PolarHBondContact O-N 3.27Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.43Å; S124-G128 PolarHBondContact O-N 3.3Å |
| 125 | M | 71.8 | Confident | 72.5 | Confident | 124 Ų | 124 | 92 Ų | 92 | 61% | 0.611 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.8 | -47.2 | 176.5 | -73.9 | 179.5 | 61.2 | 0 | 0 | 110.7 | Q121 V122 L127 G128 E129 | Q121-M125 HydrophobicContact CG-SD 4.46Å; Q121-M125 WeakPolarHBondContact O-CG 3.22Å; Q121-M125 PolarHBondContact O-N 2.98Å; V122-M125 PolarHBondContact O-N 3.45Å; M125-L127 VanDerWaalsContact C-N 3.35Å; M125-L127 PolarHBondContact O-N 3.45Å; M125-G128 PolarHBondContact O-N 3.04Å; M125-E129 PolarHBondContact O-N 2.89Å |
| 126 | V | 76.3 | Confident | 74.1 | Confident | 76 Ų | 76 | 88.4 Ų | 88.4 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V122 G128 E129 V130 | V122-V126 HydrophobicContact CG1-CG2 4.32Å; V122-V126 VanDerWaalsContact O-CG2 3.26Å; V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3Å; V126-G128 VanDerWaalsContact C-N 3.35Å; V126-G128 PolarHBondContact O-N 3.48Å; V126-E129 PolarHBondContact O-N 3.06Å; V126-V130 HydrophobicContact CG1-CG2 4.44Å; V126-V130 VanDerWaalsContact O-CG2 3.28Å; V126-V130 WeakPolarHBondContact O-CG2 3.48Å; V126-V130 PolarHBondContact O-N 2.82Å |
| 127 | L | 78.7 | Confident | 75.8 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.2 | -176.8 | 62 | 0 | 0 | 0 | 112.3 | Q123 M125 E129 V130 L131 | Q123-L127 WeakPolarHBondContact O-CB 3.43Å; Q123-L127 PolarHBondContact O-N 3.21Å; M125-L127 VanDerWaalsContact C-N 3.35Å; M125-L127 PolarHBondContact O-N 3.45Å; L127-E129 VanDerWaalsContact C-N 3.33Å; L127-V130 PolarHBondContact O-N 3.14Å; L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 3.15Å |
| 128 | G | 77.4 | Confident | 77.2 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 43% | 0.433 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S124 M125 V126 K132 | S124-G128 PolarHBondContact O-N 3.3Å; M125-G128 PolarHBondContact O-N 3.04Å; V126-G128 VanDerWaalsContact C-N 3.35Å; V126-G128 PolarHBondContact O-N 3.48Å; G128-K132 PolarHBondContact O-N 2.61Å |
| 129 | E | 82.1 | Confident | 77.9 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.1 | -46.8 | 175 | -169.2 | 163.5 | -156 | 0 | 0 | 111.3 | M125 V126 L127 L131 K132 D133 | M125-E129 PolarHBondContact O-N 2.89Å; V126-E129 PolarHBondContact O-N 3.06Å; L127-E129 VanDerWaalsContact C-N 3.33Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3.16Å; E129-K132 WeakPolarHBondContact O-CB 3.5Å; E129-K132 PolarHBondContact O-N 2.89Å; E129-D133 PolarHBondContact O-N 3.1Å |
| 130 | V | 84.9 | Confident | 78.4 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 175.9 | 170 | 0 | 0 | 0 | 0 | 112 | V126 L127 K132 D133 I134 I208 | V126-V130 HydrophobicContact CG1-CG2 4.44Å; V126-V130 VanDerWaalsContact O-CG2 3.28Å; V126-V130 WeakPolarHBondContact O-CG2 3.48Å; V126-V130 PolarHBondContact O-N 2.82Å; L127-V130 PolarHBondContact O-N 3.14Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.45Å; V130-D133 PolarHBondContact O-N 2.86Å; V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.01Å; V130-I134 PolarHBondContact O-N 2.97Å; V130-I208 HydrophobicContact CG1-CG2 3.43Å; V130-I208 VanDerWaalsContact CG1-CG2 3.43Å |
| 131 | L | 85.4 | Confident | 79.4 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 177.5 | -71.8 | 175.6 | 0 | 0 | 0 | 112.5 | L127 E129 E135 A212 | L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 3.15Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3.16Å; L131-E135 PolarHBondContact O-N 3.46Å; L131-A212 HydrophobicContact CD2-CB 3.63Å |
| 132 | K | 84.2 | Confident | 79.8 | Confident | 141 Ų | 141 | 76 Ų | 76 | 61% | 0.613 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | 176.1 | -172.6 | -176 | 176 | -171.4 | 0 | 111.6 | G128 E129 V130 E135 T136 | G128-K132 PolarHBondContact O-N 2.61Å; E129-K132 WeakPolarHBondContact O-CB 3.5Å; E129-K132 PolarHBondContact O-N 2.89Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.45Å; K132-E135 PolarHBondContact O-N 3.08Å; K132-T136 WeakPolarHBondContact O-CB 3.01Å; K132-T136 PolarHBondContact O-N 3.04Å; K132-T136 PolarHBondContact O-OG1 3.28Å |
| 133 | D | 84.8 | Confident | 80.9 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -43 | 175.7 | -70.7 | -14 | 0 | 0 | 0 | 111.2 | E129 V130 E135 T136 A137 | E129-D133 PolarHBondContact O-N 3.1Å; V130-D133 PolarHBondContact O-N 2.86Å; D133-E135 PolarHBondContact O-N 2.86Å; D133-T136 PolarHBondContact O-N 2.88Å; D133-A137 WeakPolarHBondContact O-CB 3.36Å; D133-A137 PolarHBondContact O-N 3Å |
| 134 | I | 88.4 | Confident | 81.8 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.9 | -67.7 | 167.7 | 0 | 0 | 0 | 110.8 | V130 T136 A137 C138 I208 W209 A212 | V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.01Å; V130-I134 PolarHBondContact O-N 2.97Å; I134-T136 VanDerWaalsContact C-N 3.33Å; I134-T136 PolarHBondContact O-N 3.41Å; I134-A137 PolarHBondContact O-N 3.19Å; I134-C138 PolarHBondContact O-N 3.23Å; I134-C138 PolarHBondContact O-SG 2.96Å; I134-I208 HydrophobicContact CD1-CG2 3.91Å; I134-W209 HydrophobicContact CG1-CD2 4.41Å; I134-W209 HydrophobicContact CG2-CD2 4.16Å; I134-W209 HydrophobicContact CG2-CE3 3.87Å; I134-W209 HydrophobicContact CG2-CH2 4.23Å; I134-W209 HydrophobicContact CG2-CZ2 4.45Å; I134-W209 HydrophobicContact CG2-CZ3 3.93Å; I134-A212 HydrophobicContact CD1-CB 3.36Å |
| 135 | E | 83.9 | Confident | 82.5 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.2 | -178.6 | 157.7 | -110.2 | 0 | 0 | 112 | L131 K132 D133 C138 I139 K216 | L131-E135 PolarHBondContact O-N 3.46Å; K132-E135 PolarHBondContact O-N 3.08Å; D133-E135 PolarHBondContact O-N 2.86Å; E135-C138 WeakPolarHBondContact O-CB 3.18Å; E135-C138 PolarHBondContact O-N 3.03Å; E135-I139 HydrophobicContact CG-CD1 4.45Å; E135-I139 WeakPolarHBondContact O-CG1 3.44Å; E135-I139 PolarHBondContact O-N 2.83Å; E135-I139 VanDerWaalsContact O-N 3.14Å; E135-K216 IonicContact OE1-NZ 2.88Å; E135-K216 PolarHBondContact OE1-NZ 2.9Å |
| 136 | T | 82.4 | Confident | 83.3 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 111 | K132 D133 I134 C138 I139 L140 | K132-T136 WeakPolarHBondContact O-CB 3.01Å; K132-T136 PolarHBondContact O-N 3.04Å; K132-T136 PolarHBondContact O-OG1 3.28Å; D133-T136 PolarHBondContact O-N 2.88Å; I134-T136 VanDerWaalsContact C-N 3.33Å; I134-T136 PolarHBondContact O-N 3.41Å; T136-C138 PolarHBondContact O-N 2.75Å; T136-I139 PolarHBondContact O-N 3.36Å; T136-L140 HydrophobicContact CG2-CD1 3.9Å; T136-L140 HydrophobicContact CG2-CG 4.35Å; T136-L140 WeakPolarHBondContact O-CG 3.46Å; T136-L140 PolarHBondContact O-N 3.45Å |
| 137 | A | 85.7 | Confident | 83.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D133 I134 I139 L140 L141 W161 W209 | D133-A137 WeakPolarHBondContact O-CB 3.36Å; D133-A137 PolarHBondContact O-N 3Å; I134-A137 PolarHBondContact O-N 3.19Å; A137-I139 VanDerWaalsContact C-N 3.31Å; A137-I139 PolarHBondContact O-N 2.84Å; A137-L140 PolarHBondContact O-N 3.22Å; A137-L141 HydrophobicContact CB-CD1 4.44Å; A137-L141 VanDerWaalsContact O-CB 3.27Å; A137-L141 WeakPolarHBondContact O-CB 3.36Å; A137-L141 VanDerWaalsContact O-CG 3.28Å; A137-L141 WeakPolarHBondContact O-CG 3.26Å; A137-L141 PolarHBondContact O-N 3.44Å; A137-W161 HydrophobicContact CB-CD2 4.46Å; A137-W161 HydrophobicContact CB-CH2 3.96Å; A137-W161 HydrophobicContact CB-CZ2 3.8Å; A137-W161 HydrophobicContact CB-CZ3 4.35Å; A137-W209 HydrophobicContact CB-CH2 3.84Å; A137-W209 HydrophobicContact CB-CZ2 3.75Å |
| 138 | C | 85.1 | Confident | 84.4 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.4 | -43 | 175 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | I134 E135 T136 N142 I143 P145 | I134-C138 PolarHBondContact O-N 3.23Å; I134-C138 PolarHBondContact O-SG 2.96Å; E135-C138 WeakPolarHBondContact O-CB 3.18Å; E135-C138 PolarHBondContact O-N 3.03Å; T136-C138 PolarHBondContact O-N 2.75Å; C138-N142 WeakPolarHBondContact O-CA 3.45Å; C138-N142 PolarHBondContact O-N 3.02Å; C138-I143 WeakPolarHBondContact CB-O 3.42Å; C138-I143 PolarHBondContact O-N 2.95Å; C138-P145 VanDerWaalsContact SG-CA 3.59Å |
| 139 | I | 78.5 | Confident | 84.7 | Confident | 127 Ų | 127 | 63.6 Ų | 63.6 | 65% | 0.651 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.9 | -48.7 | 177.6 | -65.3 | 166.2 | 0 | 0 | 0 | 110.7 | E135 T136 A137 N142 | E135-I139 HydrophobicContact CG-CD1 4.45Å; E135-I139 WeakPolarHBondContact O-CG1 3.44Å; E135-I139 PolarHBondContact O-N 2.83Å; E135-I139 VanDerWaalsContact O-N 3.14Å; T136-I139 PolarHBondContact O-N 3.36Å; A137-I139 VanDerWaalsContact C-N 3.31Å; A137-I139 PolarHBondContact O-N 2.84Å; I139-N142 PolarHBondContact O-N 2.94Å |
| 140 | L | 77 | Confident | 85 | Confident | 81 Ų | 81 | 58 Ų | 58 | 42% | 0.424 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | -175.4 | -70.2 | 174.8 | 0 | 0 | 0 | 113.1 | F66 T136 A137 | F66-L140 HydrophobicContact CE1-CD1 3.99Å; F66-L140 HydrophobicContact CE1-CD2 4.32Å; F66-L140 HydrophobicContact CZ-CB 4.4Å; F66-L140 HydrophobicContact CZ-CD1 4.15Å; F66-L140 HydrophobicContact CZ-CD2 3.85Å; F66-L140 HydrophobicContact CZ-CG 4.37Å; T136-L140 HydrophobicContact CG2-CD1 3.9Å; T136-L140 HydrophobicContact CG2-CG 4.35Å; T136-L140 WeakPolarHBondContact O-CG 3.46Å; T136-L140 PolarHBondContact O-N 3.45Å; A137-L140 PolarHBondContact O-N 3.22Å |
| 141 | L | 82.2 | Confident | 85.2 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -90.3 | -13.1 | -177.6 | -55.9 | 175.4 | 0 | 0 | 0 | 112.2 | A137 I143 K157 W161 | A137-L141 HydrophobicContact CB-CD1 4.44Å; A137-L141 VanDerWaalsContact O-CB 3.27Å; A137-L141 WeakPolarHBondContact O-CB 3.36Å; A137-L141 VanDerWaalsContact O-CG 3.28Å; A137-L141 WeakPolarHBondContact O-CG 3.26Å; A137-L141 PolarHBondContact O-N 3.44Å; L141-I143 HydrophobicContact CB-CD1 4.03Å; L141-I143 HydrophobicContact CB-CG1 3.97Å; L141-I143 HydrophobicContact CB-CG2 4.02Å; L141-I143 HydrophobicContact CD1-CD1 3.76Å; L141-K157 WeakPolarHBondContact O-CD 3.44Å; L141-K157 PolarHBondContact O-NZ 3.38Å; L141-W161 HydrophobicContact CD1-CB 3.66Å; L141-W161 HydrophobicContact CD1-CD2 4.2Å; L141-W161 HydrophobicContact CD1-CG 3.75Å; L141-W161 HydrophobicContact CD2-CB 3.96Å; L141-W161 HydrophobicContact CD2-CG 4.21Å; L141-W161 HydrophobicContact CG-CB 4.41Å; L141-W161 HydrophobicContact CG-CG 4.41Å |
| 142 | N | 83.6 | Confident | 85.4 | Confident | 133 Ų | 133 | 60.3 Ų | 60.3 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 55.4 | -171.4 | -167.7 | 91.1 | 0 | 0 | 0 | 110.6 | C138 I139 | C138-N142 WeakPolarHBondContact O-CA 3.45Å; C138-N142 PolarHBondContact O-N 3.02Å; I139-N142 PolarHBondContact O-N 2.94Å |
| 143 | I | 89.2 | Confident | 85.6 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | trans | -125.8 | 158.1 | 178 | 67.9 | -179.5 | 0 | 0 | 0 | 110.2 | C138 L141 W150 N154 K157 W158 W209 | C138-I143 WeakPolarHBondContact CB-O 3.42Å; C138-I143 PolarHBondContact O-N 2.95Å; L141-I143 HydrophobicContact CB-CD1 4.03Å; L141-I143 HydrophobicContact CB-CG1 3.97Å; L141-I143 HydrophobicContact CB-CG2 4.02Å; L141-I143 HydrophobicContact CD1-CD1 3.76Å; I143-W150 HydrophobicContact CD1-CZ2 4.04Å; I143-N154 HydrophobicContact CB-CB 4.39Å; I143-N154 HydrophobicContact CG2-CB 3.83Å; I143-K157 HydrophobicContact CG2-CB 4.38Å; I143-K157 HydrophobicContact CG2-CD 3.88Å; I143-W158 HydrophobicContact CD1-CB 4.22Å; I143-W209 HydrophobicContact CD1-CH2 3.84Å; I143-W209 HydrophobicContact CD1-CZ3 4.11Å; I143-W209 HydrophobicContact CG1-CH2 4.28Å; I143-W209 HydrophobicContact CG1-CZ3 4.36Å | ||
| 144 | T | 84.6 | Confident | 85.8 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | trans | -74.9 | 151.5 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | D146 E149 W150 | T144-D146 PolarHBondContact O-N 3.31Å; T144-D146 PolarHBondContact OG1-O 2.97Å; T144-D146 VanDerWaalsContact OG1-O 3.09Å; T144-E149 HydrophobicContact CG2-CB 4.47Å; T144-W150 PolarHBondContact O-NE1 3.11Å; T144-W150 PolarHBondContact OG1-NE1 3.24Å | ||
| 145 | P | 86.3 | Confident | 86 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 25% | 0.253 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -70.7 | -19 | 175.8 | 28.7 | -34.7 | 0 | 0 | 0 | 113 | C138 P147 K216 | C138-P145 VanDerWaalsContact SG-CA 3.59Å; P145-P147 WeakPolarHBondContact O-CD 3.31Å; P145-K216 HydrophobicContact CB-CD 4.43Å; P145-K216 HydrophobicContact CG-CD 4.2Å |
| 146 | D | 87.6 | Confident | 86.3 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | trans | -91.6 | 112.6 | 176.3 | -172 | -3.4 | 0 | 0 | 0 | 112 | T144 M148 E149 W150 A213 | T144-D146 PolarHBondContact O-N 3.31Å; T144-D146 PolarHBondContact OG1-O 2.97Å; T144-D146 VanDerWaalsContact OG1-O 3.09Å; D146-M148 PolarHBondContact O-N 2.93Å; D146-M148 WeakPolarHBondContact OD1-CB 3.37Å; D146-M148 PolarHBondContact OD1-N 2.94Å; D146-E149 HydrophobicContact CB-CG 4.17Å; D146-E149 PolarHBondContact O-N 3.47Å; D146-E149 VanDerWaalsContact O-N 3.1Å; D146-W150 VanDerWaalsContact O-CD1 3.31Å; D146-W150 PolarHBondContact O-NE1 3.33Å; D146-A213 HydrophobicContact CB-CB 3.78Å | ||
| 147 | P | 89.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -59.4 | -24.8 | 175.6 | -23.9 | 35.9 | 0 | 0 | 0 | 114.6 | P145 E149 W150 G180 L206 W209 R210 | P145-P147 WeakPolarHBondContact O-CD 3.31Å; P147-E149 PolarHBondContact O-N 3.16Å; P147-W150 HydrophobicContact CB-CD2 4.12Å; P147-W150 HydrophobicContact CB-CE3 3.98Å; P147-W150 HydrophobicContact CB-CH2 4.03Å; P147-W150 HydrophobicContact CB-CZ2 4.15Å; P147-W150 HydrophobicContact CB-CZ3 3.94Å; P147-W150 HydrophobicContact CG-CH2 3.89Å; P147-W150 HydrophobicContact CG-CZ2 3.93Å; P147-W150 HydrophobicContact CG-CZ3 4.28Å; P147-W150 PolarHBondContact O-N 3.33Å; P147-G180 CarbonylContact O-C 3.41Å; P147-G180 WeakPolarHBondContact O-CA 3.31Å; P147-L206 HydrophobicContact CB-CD1 3.7Å; P147-L206 HydrophobicContact CG-CD1 3.93Å; P147-W209 HydrophobicContact CG-CB 3.56Å; P147-R210 HydrophobicContact CG-CG 4.23Å |
| 148 | M | 88.6 | Confident | 87 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 42% | 0.419 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -66.6 | -19.7 | 177 | -74.1 | -66.8 | -81.2 | 0 | 0 | 113.4 | D146 K181 C184 | D146-M148 PolarHBondContact O-N 2.93Å; D146-M148 WeakPolarHBondContact OD1-CB 3.37Å; D146-M148 PolarHBondContact OD1-N 2.94Å; M148-K181 HydrophobicContact CE-CG 4.42Å; M148-K181 WeakPolarHBondContact O-CG 3.39Å; M148-C184 HydrophobicContact CG-CB 4.34Å; M148-C184 HydrophobicContact SD-CB 3.31Å; M148-C184 WeakPolarHBondContact SD-CB 3.26Å |
| 149 | E | 84 | Confident | 87.3 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -92.8 | -1.5 | 178.8 | -60.3 | -166.4 | 126.4 | 0 | 0 | 113.3 | T144 D146 P147 | T144-E149 HydrophobicContact CG2-CB 4.47Å; D146-E149 HydrophobicContact CB-CG 4.17Å; D146-E149 PolarHBondContact O-N 3.47Å; D146-E149 VanDerWaalsContact O-N 3.1Å; P147-E149 PolarHBondContact O-N 3.16Å |
| 150 | W | 89.9 | Confident | 87.8 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | trans | -74.4 | 132.6 | -175.7 | -65.2 | -4.9 | 0 | 0 | 0 | 112.8 | I143 T144 D146 P147 N154 V155 W158 G180 L206 W209 | I143-W150 HydrophobicContact CD1-CZ2 4.04Å; T144-W150 PolarHBondContact O-NE1 3.11Å; T144-W150 PolarHBondContact OG1-NE1 3.24Å; D146-W150 VanDerWaalsContact O-CD1 3.31Å; D146-W150 PolarHBondContact O-NE1 3.33Å; P147-W150 HydrophobicContact CB-CD2 4.12Å; P147-W150 HydrophobicContact CB-CE3 3.98Å; P147-W150 HydrophobicContact CB-CH2 4.03Å; P147-W150 HydrophobicContact CB-CZ2 4.15Å; P147-W150 HydrophobicContact CB-CZ3 3.94Å; P147-W150 HydrophobicContact CG-CH2 3.89Å; P147-W150 HydrophobicContact CG-CZ2 3.93Å; P147-W150 HydrophobicContact CG-CZ3 4.28Å; P147-W150 PolarHBondContact O-N 3.33Å; W150-N154 HydrophobicContact CB-CB 3.87Å; W150-N154 HydrophobicContact CG-CB 3.98Å; W150-V155 HydrophobicContact CB-CG2 4Å; W150-V155 HydrophobicContact CE3-CG2 4.21Å; W150-W158 HydrophobicContact CE3-CB 4.37Å; W150-W158 HydrophobicContact CE3-CG 4.44Å; W150-W158 HydrophobicContact CH2-CB 3.94Å; W150-W158 AromaticContact CH2-CD1 3.49Å; W150-W158 VanDerWaalsContact CH2-CD1 3.49Å; W150-W158 AromaticContact CH2-CD2 3.92Å; W150-W158 HydrophobicContact CH2-CD2 3.92Å; W150-W158 AromaticContact CH2-CG 3.5Å; W150-W158 HydrophobicContact CH2-CG 3.5Å; W150-W158 VanDerWaalsContact CH2-CG 3.5Å; W150-W158 AromaticContact CH2-NE1 3.89Å; W150-W158 HydrophobicContact CZ3-CB 3.78Å; W150-W158 AromaticContact CZ3-CD1 3.91Å; W150-W158 AromaticContact CZ3-CD2 3.52Å; W150-W158 HydrophobicContact CZ3-CD2 3.52Å; W150-W158 AromaticContact CZ3-CE3 3.88Å; W150-W158 HydrophobicContact CZ3-CE3 3.88Å; W150-W158 AromaticContact CZ3-CG 3.44Å; W150-W158 HydrophobicContact CZ3-CG 3.44Å; W150-W158 VanDerWaalsContact CZ3-CG 3.44Å; W150-G180 PolarHBondContact O-N 2.91Å; W150-L206 HydrophobicContact CZ3-CD1 4.12Å; W150-W209 AromaticContact CH2-CD2 3.97Å; W150-W209 HydrophobicContact CH2-CD2 3.97Å; W150-W209 AromaticContact CH2-CE3 3.84Å; W150-W209 HydrophobicContact CH2-CE3 3.84Å; W150-W209 HydrophobicContact CH2-CG 4.34Å; W150-W209 HydrophobicContact CH2-CZ3 4.28Å; W150-W209 HydrophobicContact CZ2-CD2 4.01Å; W150-W209 AromaticContact CZ2-CE3 3.39Å; W150-W209 HydrophobicContact CZ2-CE3 3.39Å; W150-W209 HydrophobicContact CZ2-CH2 4.38Å; W150-W209 AromaticContact CZ2-CZ3 3.59Å; W150-W209 HydrophobicContact CZ2-CZ3 3.59Å | ||
| 151 | N | 88 | Confident | 88.4 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | trans | -80.9 | 170.6 | 161.9 | 65.3 | 50.1 | 0 | 0 | 0 | 110.7 | G153 N154 V155 | N151-G153 PolarHBondContact O-N 2.92Å; N151-G153 WeakPolarHBondContact OD1-CA 3.43Å; N151-G153 PolarHBondContact OD1-N 3.15Å; N151-N154 PolarHBondContact O-N 2.77Å; N151-N154 PolarHBondContact OD1-N 3.29Å; N151-V155 WeakPolarHBondContact O-CG2 3.05Å; N151-V155 PolarHBondContact O-N 3.33Å | ||
| 152 | C | 90.1 | Very high | 88.7 | Confident | 69 Ų | 69 | 45.7 Ų | 45.7 | 47% | 0.466 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -31.2 | -179.3 | 57.2 | 0 | 0 | 0 | 0 | 114 | Q156 L178 | C152-Q156 VanDerWaalsContact O-CG 3.29Å; C152-Q156 WeakPolarHBondContact O-CG 3.37Å; C152-Q156 PolarHBondContact O-N 2.89Å; C152-Q156 VanDerWaalsContact O-N 3.16Å; C152-L178 VanDerWaalsContact CA-O 3.3Å; C152-L178 WeakPolarHBondContact CA-O 3.44Å |
| 153 | G | 87.5 | Confident | 88.9 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.3 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | N151 V155 Q156 K157 | N151-G153 PolarHBondContact O-N 2.92Å; N151-G153 WeakPolarHBondContact OD1-CA 3.43Å; N151-G153 PolarHBondContact OD1-N 3.15Å; G153-V155 VanDerWaalsContact C-N 3.34Å; G153-Q156 PolarHBondContact O-N 3.23Å; G153-K157 WeakPolarHBondContact O-CG 3.45Å; G153-K157 PolarHBondContact O-N 2.77Å |
| 154 | N | 89.9 | Confident | 88.8 | Confident | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 176.8 | -68.7 | -7.9 | 0 | 0 | 0 | 111.4 | I143 W150 N151 Q156 K157 W158 | I143-N154 HydrophobicContact CB-CB 4.39Å; I143-N154 HydrophobicContact CG2-CB 3.83Å; W150-N154 HydrophobicContact CB-CB 3.87Å; W150-N154 HydrophobicContact CG-CB 3.98Å; N151-N154 PolarHBondContact O-N 2.77Å; N151-N154 PolarHBondContact OD1-N 3.29Å; N154-Q156 VanDerWaalsContact C-N 3.33Å; N154-Q156 PolarHBondContact O-N 3.08Å; N154-K157 PolarHBondContact O-N 3.38Å; N154-W158 PolarHBondContact O-N 3.39Å |
| 155 | V | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 171.8 | 165.6 | 0 | 0 | 0 | 0 | 111.3 | W150 N151 G153 K157 W158 L159 L178 L183 | W150-V155 HydrophobicContact CB-CG2 4Å; W150-V155 HydrophobicContact CE3-CG2 4.21Å; N151-V155 WeakPolarHBondContact O-CG2 3.05Å; N151-V155 PolarHBondContact O-N 3.33Å; G153-V155 VanDerWaalsContact C-N 3.34Å; V155-K157 PolarHBondContact O-N 3.36Å; V155-W158 PolarHBondContact O-N 2.88Å; V155-L159 HydrophobicContact CG1-CD1 3.8Å; V155-L159 HydrophobicContact CG1-CG 4.42Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.18Å; V155-L178 WeakPolarHBondContact CG2-O 3.46Å; V155-L183 HydrophobicContact CB-CD1 4Å; V155-L183 HydrophobicContact CG1-CD1 3.35Å; V155-L183 HydrophobicContact CG1-CG 4.44Å; V155-L183 HydrophobicContact CG2-CD1 3.5Å; V155-L183 VanDerWaalsContact CG2-CD1 3.5Å |
| 156 | Q | 90.6 | Very high | 88.8 | Confident | 48 Ų | 48 | 51.7 Ų | 51.7 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -37.5 | 179.1 | -68.8 | -66.5 | -49.1 | 0 | 0 | 112.4 | C152 G153 N154 L159 L160 G172 F175 | C152-Q156 VanDerWaalsContact O-CG 3.29Å; C152-Q156 WeakPolarHBondContact O-CG 3.37Å; C152-Q156 PolarHBondContact O-N 2.89Å; C152-Q156 VanDerWaalsContact O-N 3.16Å; G153-Q156 PolarHBondContact O-N 3.23Å; N154-Q156 VanDerWaalsContact C-N 3.33Å; N154-Q156 PolarHBondContact O-N 3.08Å; Q156-L159 PolarHBondContact O-N 3Å; Q156-L160 WeakPolarHBondContact O-CB 3.35Å; Q156-L160 VanDerWaalsContact O-CG 3.28Å; Q156-L160 WeakPolarHBondContact O-CG 3.26Å; Q156-L160 PolarHBondContact O-N 2.95Å; Q156-G172 PolarHBondContact NE2-O 3.47Å; Q156-G172 PolarHBondContact OE1-O 3.17Å; Q156-F175 PolarHBondContact NE2-O 2.97Å; Q156-F175 VanDerWaalsContact NE2-O 3.15Å |
| 157 | K | 89.6 | Confident | 88.8 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 173 | -70.3 | 173.7 | 174.6 | -174.8 | 0 | 112.1 | L141 I143 G153 N154 V155 L160 W161 | L141-K157 WeakPolarHBondContact O-CD 3.44Å; L141-K157 PolarHBondContact O-NZ 3.38Å; I143-K157 HydrophobicContact CG2-CB 4.38Å; I143-K157 HydrophobicContact CG2-CD 3.88Å; G153-K157 WeakPolarHBondContact O-CG 3.45Å; G153-K157 PolarHBondContact O-N 2.77Å; N154-K157 PolarHBondContact O-N 3.38Å; V155-K157 PolarHBondContact O-N 3.36Å; K157-L160 PolarHBondContact O-N 3.45Å; K157-W161 WeakPolarHBondContact O-CB 3.26Å; K157-W161 PolarHBondContact O-N 2.96Å |
| 158 | W | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.4 | 168 | 74.6 | 0 | 0 | 0 | 111.6 | I143 W150 N154 V155 W161 T162 L183 H205 L206 W209 | I143-W158 HydrophobicContact CD1-CB 4.22Å; W150-W158 HydrophobicContact CE3-CB 4.37Å; W150-W158 HydrophobicContact CE3-CG 4.44Å; W150-W158 HydrophobicContact CH2-CB 3.94Å; W150-W158 AromaticContact CH2-CD1 3.49Å; W150-W158 VanDerWaalsContact CH2-CD1 3.49Å; W150-W158 AromaticContact CH2-CD2 3.92Å; W150-W158 HydrophobicContact CH2-CD2 3.92Å; W150-W158 AromaticContact CH2-CG 3.5Å; W150-W158 HydrophobicContact CH2-CG 3.5Å; W150-W158 VanDerWaalsContact CH2-CG 3.5Å; W150-W158 AromaticContact CH2-NE1 3.89Å; W150-W158 HydrophobicContact CZ3-CB 3.78Å; W150-W158 AromaticContact CZ3-CD1 3.91Å; W150-W158 AromaticContact CZ3-CD2 3.52Å; W150-W158 HydrophobicContact CZ3-CD2 3.52Å; W150-W158 AromaticContact CZ3-CE3 3.88Å; W150-W158 HydrophobicContact CZ3-CE3 3.88Å; W150-W158 AromaticContact CZ3-CG 3.44Å; W150-W158 HydrophobicContact CZ3-CG 3.44Å; W150-W158 VanDerWaalsContact CZ3-CG 3.44Å; N154-W158 PolarHBondContact O-N 3.39Å; V155-W158 PolarHBondContact O-N 2.88Å; W158-W161 PolarHBondContact O-N 2.83Å; W158-T162 PolarHBondContact NE1-OG1 3.05Å; W158-T162 WeakPolarHBondContact O-CB 3.1Å; W158-T162 PolarHBondContact O-N 2.95Å; W158-T162 PolarHBondContact O-OG1 3.33Å; W158-L183 HydrophobicContact CE3-CD1 4.46Å; W158-L183 HydrophobicContact CZ3-CD1 4.18Å; W158-H205 AromaticContact NE1-CD2 3.53Å; W158-L206 HydrophobicContact CH2-CB 3.86Å; W158-L206 HydrophobicContact CH2-CD1 4.23Å; W158-L206 HydrophobicContact CH2-CG 4.49Å; W158-L206 HydrophobicContact CZ2-CB 3.84Å; W158-L206 HydrophobicContact CZ2-CD1 4.23Å; W158-W209 AromaticContact CD1-CE2 3.95Å; W158-W209 AromaticContact NE1-CD1 3.95Å; W158-W209 AromaticContact NE1-NE1 3.68Å |
| 159 | L | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 176 | -75.4 | 166.2 | 0 | 0 | 0 | 111.8 | V155 Q156 W161 T162 E163 V171 F175 L202 | V155-L159 HydrophobicContact CG1-CD1 3.8Å; V155-L159 HydrophobicContact CG1-CG 4.42Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.18Å; Q156-L159 PolarHBondContact O-N 3Å; L159-W161 VanDerWaalsContact C-N 3.32Å; L159-W161 PolarHBondContact O-N 3.46Å; L159-T162 PolarHBondContact O-N 3.37Å; L159-E163 WeakPolarHBondContact O-CB 3.29Å; L159-E163 VanDerWaalsContact O-CG 3.27Å; L159-E163 WeakPolarHBondContact O-CG 3.25Å; L159-E163 PolarHBondContact O-N 2.88Å; L159-V171 HydrophobicContact CD2-CG2 4.45Å; L159-F175 HydrophobicContact CD1-CB 3.49Å; L159-F175 VanDerWaalsContact CD1-CB 3.49Å; L159-F175 HydrophobicContact CD1-CG 4.2Å; L159-F175 HydrophobicContact CD2-CD2 4.36Å; L159-F175 HydrophobicContact CD2-CG 4.43Å; L159-L202 HydrophobicContact CD2-CD1 4.49Å; L159-L202 HydrophobicContact CD2-CD2 4.03Å |
| 160 | L | 89.6 | Confident | 88.1 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 178.4 | -74.2 | 170 | 0 | 0 | 0 | 112.5 | Q156 K157 H164 | Q156-L160 WeakPolarHBondContact O-CB 3.35Å; Q156-L160 VanDerWaalsContact O-CG 3.28Å; Q156-L160 WeakPolarHBondContact O-CG 3.26Å; Q156-L160 PolarHBondContact O-N 2.95Å; K157-L160 PolarHBondContact O-N 3.45Å; L160-H164 PolarHBondContact O-N 3.3Å |
| 161 | W | 88.4 | Confident | 87.6 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 20% | 0.201 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 175.8 | -179.4 | 79.3 | 0 | 0 | 0 | 111.6 | A137 L141 K157 W158 L159 H164 L165 H205 W209 | A137-W161 HydrophobicContact CB-CD2 4.46Å; A137-W161 HydrophobicContact CB-CH2 3.96Å; A137-W161 HydrophobicContact CB-CZ2 3.8Å; A137-W161 HydrophobicContact CB-CZ3 4.35Å; L141-W161 HydrophobicContact CD1-CB 3.66Å; L141-W161 HydrophobicContact CD1-CD2 4.2Å; L141-W161 HydrophobicContact CD1-CG 3.75Å; L141-W161 HydrophobicContact CD2-CB 3.96Å; L141-W161 HydrophobicContact CD2-CG 4.21Å; L141-W161 HydrophobicContact CG-CB 4.41Å; L141-W161 HydrophobicContact CG-CG 4.41Å; K157-W161 WeakPolarHBondContact O-CB 3.26Å; K157-W161 PolarHBondContact O-N 2.96Å; W158-W161 PolarHBondContact O-N 2.83Å; L159-W161 VanDerWaalsContact C-N 3.32Å; L159-W161 PolarHBondContact O-N 3.46Å; W161-H164 PolarHBondContact O-N 3.28Å; W161-L165 HydrophobicContact CE3-CD2 4.45Å; W161-L165 HydrophobicContact CH2-CD2 3.57Å; W161-L165 HydrophobicContact CZ2-CD2 3.94Å; W161-L165 HydrophobicContact CZ3-CD2 3.87Å; W161-L165 WeakPolarHBondContact O-CB 3.26Å; W161-L165 PolarHBondContact O-N 3Å; W161-H205 AromaticContact CZ3-CE1 3.99Å; W161-H205 AromaticContact CZ3-NE2 3.34Å; W161-H205 VanDerWaalsContact CZ3-NE2 3.34Å; W161-H205 WeakPolarHBondContact CZ3-NE2 3.22Å; W161-W209 HydrophobicContact CZ3-CZ2 4.2Å |
| 162 | T | 89.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 178 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | W158 L159 H164 L165 Y166 L168 L202 H205 | W158-T162 PolarHBondContact NE1-OG1 3.05Å; W158-T162 WeakPolarHBondContact O-CB 3.1Å; W158-T162 PolarHBondContact O-N 2.95Å; W158-T162 PolarHBondContact O-OG1 3.33Å; L159-T162 PolarHBondContact O-N 3.37Å; T162-H164 VanDerWaalsContact C-N 3.32Å; T162-H164 PolarHBondContact O-N 2.91Å; T162-L165 PolarHBondContact O-N 3.31Å; T162-Y166 HydrophobicContact CG2-CD2 3.69Å; T162-Y166 HydrophobicContact CG2-CE2 3.9Å; T162-Y166 WeakPolarHBondContact O-CD2 3.38Å; T162-Y166 PolarHBondContact O-N 3.02Å; T162-Y166 VanDerWaalsContact O-N 3.09Å; T162-L168 HydrophobicContact CG2-CD1 4.47Å; T162-L202 HydrophobicContact CG2-CD2 3.8Å; T162-H205 HydrophobicContact CG2-CB 4.43Å |
| 163 | E | 88.1 | Confident | 86.3 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 172.4 | -77.7 | 175.7 | -169.7 | 0 | 0 | 111.1 | L159 R167 L168 V171 G172 | L159-E163 WeakPolarHBondContact O-CB 3.29Å; L159-E163 VanDerWaalsContact O-CG 3.27Å; L159-E163 WeakPolarHBondContact O-CG 3.25Å; L159-E163 PolarHBondContact O-N 2.88Å; E163-R167 CarbonylContact O-C 3.59Å; E163-R167 WeakPolarHBondContact O-CA 3.46Å; E163-R167 PolarHBondContact O-N 3.41Å; E163-L168 HydrophobicContact CB-CB 4.5Å; E163-L168 HydrophobicContact CG-CB 4.36Å; E163-L168 PolarHBondContact O-N 3.08Å; E163-V171 HydrophobicContact CG-CG2 3.86Å; E163-V171 WeakPolarHBondContact OE1-CG2 3.25Å; E163-V171 PolarHBondContact OE1-N 3.16Å; E163-G172 PolarHBondContact OE1-N 2.75Å |
| 164 | H | 86.8 | Confident | 86.1 | Confident | 157 Ų | 157 | 67 Ų | 67 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.3 | -45.5 | 178.7 | -171 | 73.6 | 0 | 0 | 0 | 112.5 | L160 W161 T162 Y166 R167 | L160-H164 PolarHBondContact O-N 3.3Å; W161-H164 PolarHBondContact O-N 3.28Å; T162-H164 VanDerWaalsContact C-N 3.32Å; T162-H164 PolarHBondContact O-N 2.91Å; H164-Y166 VanDerWaalsContact C-N 3.3Å; H164-Y166 PolarHBondContact O-N 3.44Å; H164-R167 PolarHBondContact O-N 3.05Å |
| 165 | L | 85 | Confident | 85.9 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | -177.6 | -176.9 | 64.6 | 0 | 0 | 0 | 111.9 | W161 T162 | W161-L165 HydrophobicContact CE3-CD2 4.45Å; W161-L165 HydrophobicContact CH2-CD2 3.57Å; W161-L165 HydrophobicContact CZ2-CD2 3.94Å; W161-L165 HydrophobicContact CZ3-CD2 3.87Å; W161-L165 WeakPolarHBondContact O-CB 3.26Å; W161-L165 PolarHBondContact O-N 3Å; T162-L165 PolarHBondContact O-N 3.31Å |
| 166 | Y | 85.8 | Confident | 85.4 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 37% | 0.373 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -104.3 | 6.2 | -178.1 | -60.5 | -72.4 | 0 | 0 | 0 | 113.9 | T162 H164 L168 L201 H205 | T162-Y166 HydrophobicContact CG2-CD2 3.69Å; T162-Y166 HydrophobicContact CG2-CE2 3.9Å; T162-Y166 WeakPolarHBondContact O-CD2 3.38Å; T162-Y166 PolarHBondContact O-N 3.02Å; T162-Y166 VanDerWaalsContact O-N 3.09Å; H164-Y166 VanDerWaalsContact C-N 3.3Å; H164-Y166 PolarHBondContact O-N 3.44Å; Y166-L168 VanDerWaalsContact C-N 3.3Å; Y166-L168 PolarHBondContact O-N 3.08Å; Y166-L201 HydrophobicContact CD1-CD2 4.37Å; Y166-L201 HydrophobicContact CD2-CD2 4.32Å; Y166-L201 HydrophobicContact CG-CD2 3.96Å; Y166-H205 AromaticContact CE2-CE1 3.93Å; Y166-H205 AromaticContact CE2-CG 3.98Å; Y166-H205 AromaticContact CE2-ND1 3.62Å; Y166-H205 AromaticContact CZ-ND1 3.77Å; Y166-H205 PolarHBondContact OH-CE1 3.34Å; Y166-H205 PolarHBondContact OH-ND1 3.08Å |
| 167 | R | 86.8 | Confident | 85.1 | Confident | 233 Ų | 233 | 77.1 Ų | 77.1 | 88% | 0.879 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 44.9 | -176 | -59.8 | -175.3 | 175.2 | 163.3 | -0.1 | 113.3 | E163 H164 | E163-R167 CarbonylContact O-C 3.59Å; E163-R167 WeakPolarHBondContact O-CA 3.46Å; E163-R167 PolarHBondContact O-N 3.41Å; H164-R167 PolarHBondContact O-N 3.05Å |
| 168 | L | 85.4 | Confident | 85.1 | Confident | 31 Ų | 31 | 74.1 Ų | 74.1 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | trans | -79.6 | 157.9 | -179 | -50.2 | 175.6 | 0 | 0 | 0 | 111.6 | T162 E163 Y166 C198 L201 L202 | T162-L168 HydrophobicContact CG2-CD1 4.47Å; E163-L168 HydrophobicContact CB-CB 4.5Å; E163-L168 HydrophobicContact CG-CB 4.36Å; E163-L168 PolarHBondContact O-N 3.08Å; Y166-L168 VanDerWaalsContact C-N 3.3Å; Y166-L168 PolarHBondContact O-N 3.08Å; L168-C198 HydrophobicContact CD1-CB 4.15Å; L168-C198 HydrophobicContact CD2-CB 4.01Å; L168-C198 HydrophobicContact CG-CB 4.5Å; L168-L201 HydrophobicContact CD1-CD2 3.95Å; L168-L201 HydrophobicContact CD2-CD2 3.58Å; L168-L201 HydrophobicContact CG-CD2 4.3Å; L168-L202 HydrophobicContact CD1-CD2 4.13Å | ||
| 169 | P | 82 | Confident | 85 | Confident | 64 Ų | 64 | 75.6 Ų | 75.6 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | trans | -66.2 | 154.8 | 170.1 | -15.9 | 32.9 | 0 | 0 | 0 | 110.1 | V171 Q197 | P169-V171 PolarHBondContact O-N 3.11Å; P169-Q197 VanDerWaalsContact CB-NE2 3.26Å; P169-Q197 HydrophobicContact CG-CG 4.4Å | ||
| 170 | Q | 79.4 | Confident | 85 | Confident | 170 Ų | 170 | 75.6 Ų | 75.6 | 79% | 0.794 | 36% | 0.357 | S | S | * | . | trans | -62.7 | 101.4 | -180 | -68.3 | -179.8 | 23.2 | 0 | 0 | 111.1 | ||||
| 171 | V | 80.3 | Confident | 85 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | trans | -98.7 | -11.1 | 178.1 | -71.7 | 0 | 0 | 0 | 0 | 112.5 | L159 E163 P169 K173 V174 F175 C198 L202 | L159-V171 HydrophobicContact CD2-CG2 4.45Å; E163-V171 HydrophobicContact CG-CG2 3.86Å; E163-V171 WeakPolarHBondContact OE1-CG2 3.25Å; E163-V171 PolarHBondContact OE1-N 3.16Å; P169-V171 PolarHBondContact O-N 3.11Å; V171-K173 PolarHBondContact O-N 3.48Å; V171-V174 PolarHBondContact O-N 2.85Å; V171-F175 HydrophobicContact CB-CD2 4.21Å; V171-F175 HydrophobicContact CB-CE2 4.16Å; V171-F175 HydrophobicContact CG2-CD2 4.48Å; V171-C198 WeakPolarHBondContact CG1-SG 3.5Å; V171-L202 HydrophobicContact CG2-CD1 3.95Å | ||
| 172 | G | 73.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -32.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q156 E163 V174 Q176 | Q156-G172 PolarHBondContact NE2-O 3.47Å; Q156-G172 PolarHBondContact OE1-O 3.17Å; E163-G172 PolarHBondContact OE1-N 2.75Å; G172-V174 PolarHBondContact O-N 3.34Å; G172-Q176 PolarHBondContact O-N 3.08Å |
| 173 | K | 77.3 | Confident | 85.2 | Confident | 168 Ų | 168 | 78.2 Ų | 78.2 | 73% | 0.73 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -28.6 | 176.8 | -64.8 | -174.6 | -178.5 | -179.7 | 0 | 114.2 | V171 Q176 | V171-K173 PolarHBondContact O-N 3.48Å; K173-Q176 WeakPolarHBondContact O-CB 3.38Å |
| 174 | V | 83.6 | Confident | 85.3 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -19 | -176.6 | -158.1 | 0 | 0 | 0 | 0 | 112.5 | V171 G172 R194 | V171-V174 PolarHBondContact O-N 2.85Å; G172-V174 PolarHBondContact O-N 3.34Å; V174-R194 HydrophobicContact CG1-CB 3.92Å; V174-R194 HydrophobicContact CG1-CG 4.36Å; V174-R194 VanDerWaalsContact CG1-O 3.25Å; V174-R194 WeakPolarHBondContact CG1-O 3.15Å; V174-R194 PolarHBondContact O-NH1 2.95Å; V174-R194 VanDerWaalsContact O-NH1 3.11Å |
| 175 | F | 84.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 19.5 | 175.1 | -62.6 | -89.8 | 0 | 0 | 0 | 111.8 | Q156 L159 V171 L178 L183 M186 F191 R194 L202 | Q156-F175 PolarHBondContact NE2-O 2.97Å; Q156-F175 VanDerWaalsContact NE2-O 3.15Å; L159-F175 HydrophobicContact CD1-CB 3.49Å; L159-F175 VanDerWaalsContact CD1-CB 3.49Å; L159-F175 HydrophobicContact CD1-CG 4.2Å; L159-F175 HydrophobicContact CD2-CD2 4.36Å; L159-F175 HydrophobicContact CD2-CG 4.43Å; V171-F175 HydrophobicContact CB-CD2 4.21Å; V171-F175 HydrophobicContact CB-CE2 4.16Å; V171-F175 HydrophobicContact CG2-CD2 4.48Å; F175-L178 HydrophobicContact CB-CD1 4.05Å; F175-L178 HydrophobicContact CD1-CD1 3.82Å; F175-L178 HydrophobicContact CG-CD1 4.4Å; F175-L183 HydrophobicContact CD1-CD2 4Å; F175-L183 HydrophobicContact CE1-CD2 4.45Å; F175-M186 HydrophobicContact CE1-CE 4.17Å; F175-F191 HydrophobicContact CD1-CE1 4.44Å; F175-F191 AromaticContact CE1-CD1 3.57Å; F175-F191 HydrophobicContact CE1-CD1 3.57Å; F175-F191 AromaticContact CE1-CE1 3.7Å; F175-F191 HydrophobicContact CE1-CE1 3.7Å; F175-F191 HydrophobicContact CE1-CG 4.26Å; F175-F191 HydrophobicContact CE1-CZ 4.49Å; F175-F191 AromaticContact CZ-CD1 3.82Å; F175-F191 HydrophobicContact CZ-CD1 3.82Å; F175-F191 HydrophobicContact CZ-CE1 4.29Å; F175-R194 HydrophobicContact CE1-CB 4.17Å; F175-R194 HydrophobicContact CE2-CB 4.38Å; F175-R194 HydrophobicContact CZ-CB 3.87Å; F175-L202 HydrophobicContact CE2-CD1 3.76Å; F175-L202 HydrophobicContact CZ-CD1 3.95Å |
| 176 | Q | 82.8 | Confident | 85.5 | Confident | 119 Ų | 119 | 72.6 Ų | 72.6 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 144.8 | 179.3 | -158.9 | 178.4 | -15.8 | 0 | 0 | 110.3 | G172 K173 L178 | G172-Q176 PolarHBondContact O-N 3.08Å; K173-Q176 WeakPolarHBondContact O-CB 3.38Å; Q176-L178 PolarHBondContact O-N 3.31Å; Q176-L178 VanDerWaalsContact O-N 3.11Å |
| 177 | E | 83.8 | Confident | 85.8 | Confident | 164 Ų | 164 | 71 Ų | 71 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 2.3 | 178.1 | -49.4 | -172.7 | 172.4 | 0 | 0 | 116.5 | ||
| 178 | L | 89.1 | Confident | 86 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -76.7 | 133.7 | 175.2 | -60.9 | 178.5 | 0 | 0 | 0 | 111.3 | C152 V155 F175 Q176 D182 L183 M186 | C152-L178 VanDerWaalsContact CA-O 3.3Å; C152-L178 WeakPolarHBondContact CA-O 3.44Å; V155-L178 WeakPolarHBondContact CG2-O 3.46Å; F175-L178 HydrophobicContact CB-CD1 4.05Å; F175-L178 HydrophobicContact CD1-CD1 3.82Å; F175-L178 HydrophobicContact CG-CD1 4.4Å; Q176-L178 PolarHBondContact O-N 3.31Å; Q176-L178 VanDerWaalsContact O-N 3.11Å; L178-D182 HydrophobicContact CB-CB 4.44Å; L178-D182 HydrophobicContact CD2-CB 4.15Å; L178-L183 HydrophobicContact CB-CG 4.4Å; L178-L183 HydrophobicContact CD1-CD2 4.3Å; L178-M186 HydrophobicContact CD1-SD 4.12Å | ||
| 179 | S | 92 | Very high | 86.2 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 22% | 0.217 | 34% | 0.342 | C | S | . | . | trans | -83.2 | 166.8 | 166.2 | 74.9 | 0 | 0 | 0 | 0 | 111 | K181 D182 L183 | S179-K181 PolarHBondContact O-N 2.87Å; S179-K181 PolarHBondContact OG-N 3.49Å; S179-D182 VanDerWaalsContact CB-OD2 3.31Å; S179-D182 WeakPolarHBondContact CB-OD2 3.44Å; S179-D182 PolarHBondContact N-OD2 2.95Å; S179-D182 PolarHBondContact O-N 2.78Å; S179-D182 VanDerWaalsContact O-N 3.13Å; S179-D182 VanDerWaalsContact OG-CG 3.26Å; S179-D182 PolarHBondContact OG-N 3.28Å; S179-D182 PolarHBondContact OG-OD2 3.08Å; S179-L183 PolarHBondContact O-N 2.94Å | ||
| 180 | G | 90.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.8 | -34.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P147 W150 L183 C184 | P147-G180 CarbonylContact O-C 3.41Å; P147-G180 WeakPolarHBondContact O-CA 3.31Å; W150-G180 PolarHBondContact O-N 2.91Å; G180-L183 PolarHBondContact O-N 3.37Å; G180-C184 WeakPolarHBondContact O-CB 3.31Å; G180-C184 PolarHBondContact O-N 3.25Å; G180-C184 PolarHBondContact O-SG 3.15Å |
| 181 | K | 89.9 | Confident | 87.2 | Confident | 130 Ų | 130 | 58.5 Ų | 58.5 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 175.7 | -63.9 | 179.9 | -178.5 | 177 | 0 | 112.1 | M148 S179 S185 | M148-K181 HydrophobicContact CE-CG 4.42Å; M148-K181 WeakPolarHBondContact O-CG 3.39Å; S179-K181 PolarHBondContact O-N 2.87Å; S179-K181 PolarHBondContact OG-N 3.49Å; K181-S185 WeakPolarHBondContact O-CB 3.44Å; K181-S185 PolarHBondContact O-N 2.96Å; K181-S185 VanDerWaalsContact O-N 3.12Å; K181-S185 PolarHBondContact O-OG 3.07Å |
| 182 | D | 91.4 | Very high | 87.7 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 178.3 | -53.9 | -50.7 | 0 | 0 | 0 | 110.1 | L178 S179 C184 S185 M186 | L178-D182 HydrophobicContact CB-CB 4.44Å; L178-D182 HydrophobicContact CD2-CB 4.15Å; S179-D182 VanDerWaalsContact CB-OD2 3.31Å; S179-D182 WeakPolarHBondContact CB-OD2 3.44Å; S179-D182 PolarHBondContact N-OD2 2.95Å; S179-D182 PolarHBondContact O-N 2.78Å; S179-D182 VanDerWaalsContact O-N 3.13Å; S179-D182 VanDerWaalsContact OG-CG 3.26Å; S179-D182 PolarHBondContact OG-N 3.28Å; S179-D182 PolarHBondContact OG-OD2 3.08Å; D182-C184 PolarHBondContact O-N 3.41Å; D182-S185 PolarHBondContact O-N 3.17Å; D182-M186 WeakPolarHBondContact O-CG 3.47Å; D182-M186 PolarHBondContact O-N 3.29Å |
| 183 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.5 | -84.2 | 168.1 | 0 | 0 | 0 | 112.8 | V155 W158 F175 L178 S179 G180 S185 M186 F191 L206 | V155-L183 HydrophobicContact CB-CD1 4Å; V155-L183 HydrophobicContact CG1-CD1 3.35Å; V155-L183 HydrophobicContact CG1-CG 4.44Å; V155-L183 HydrophobicContact CG2-CD1 3.5Å; V155-L183 VanDerWaalsContact CG2-CD1 3.5Å; W158-L183 HydrophobicContact CE3-CD1 4.46Å; W158-L183 HydrophobicContact CZ3-CD1 4.18Å; F175-L183 HydrophobicContact CD1-CD2 4Å; F175-L183 HydrophobicContact CE1-CD2 4.45Å; L178-L183 HydrophobicContact CB-CG 4.4Å; L178-L183 HydrophobicContact CD1-CD2 4.3Å; S179-L183 PolarHBondContact O-N 2.94Å; G180-L183 PolarHBondContact O-N 3.37Å; L183-S185 PolarHBondContact O-N 3.16Å; L183-M186 PolarHBondContact O-N 3.02Å; L183-F191 HydrophobicContact CB-CZ 4.49Å; L183-F191 HydrophobicContact CD2-CE1 3.71Å; L183-F191 HydrophobicContact CD2-CE2 4.26Å; L183-F191 HydrophobicContact CD2-CZ 3.3Å; L183-F191 HydrophobicContact CG-CZ 4.47Å; L183-L206 HydrophobicContact CB-CD2 4.04Å |
| 184 | C | 89.6 | Confident | 89 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.1 | -17.4 | 179.8 | -73.2 | 0 | 0 | 0 | 0 | 113.7 | M148 G180 D182 | M148-C184 HydrophobicContact CG-CB 4.34Å; M148-C184 HydrophobicContact SD-CB 3.31Å; M148-C184 WeakPolarHBondContact SD-CB 3.26Å; G180-C184 WeakPolarHBondContact O-CB 3.31Å; G180-C184 PolarHBondContact O-N 3.25Å; G180-C184 PolarHBondContact O-SG 3.15Å; D182-C184 PolarHBondContact O-N 3.41Å |
| 185 | S | 89.3 | Confident | 89.1 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -90.6 | -16.4 | 177.8 | -56.9 | 0 | 0 | 0 | 0 | 113 | K181 D182 L183 | K181-S185 WeakPolarHBondContact O-CB 3.44Å; K181-S185 PolarHBondContact O-N 2.96Å; K181-S185 VanDerWaalsContact O-N 3.12Å; K181-S185 PolarHBondContact O-OG 3.07Å; D182-S185 PolarHBondContact O-N 3.17Å; L183-S185 PolarHBondContact O-N 3.16Å |
| 186 | M | 88.3 | Confident | 89.1 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -75.6 | 146.2 | 177.7 | -77.8 | 171.1 | 45.1 | 0 | 0 | 111.6 | F175 L178 D182 L183 D190 F191 | F175-M186 HydrophobicContact CE1-CE 4.17Å; L178-M186 HydrophobicContact CD1-SD 4.12Å; D182-M186 WeakPolarHBondContact O-CG 3.47Å; D182-M186 PolarHBondContact O-N 3.29Å; L183-M186 PolarHBondContact O-N 3.02Å; M186-D190 HydrophobicContact CB-CB 4Å; M186-D190 HydrophobicContact CE-CB 3.9Å; M186-D190 HydrophobicContact CG-CB 4.16Å; M186-F191 HydrophobicContact CB-CD2 4Å; M186-F191 HydrophobicContact CB-CE2 3.73Å; M186-F191 HydrophobicContact CE-CD2 3.51Å; M186-F191 HydrophobicContact CE-CE2 3.64Å; M186-F191 HydrophobicContact CE-CG 4.02Å; M186-F191 HydrophobicContact CE-CZ 4.24Å; M186-F191 HydrophobicContact SD-CE2 4.5Å |
| 187 | T | 91.6 | Very high | 89.1 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | trans | -85.9 | 168.6 | 173.4 | 78.9 | 0 | 0 | 0 | 0 | 111.8 | E189 D190 F191 | T187-E189 WeakPolarHBondContact CB-OE2 3.25Å; T187-E189 PolarHBondContact O-N 3.23Å; T187-E189 PolarHBondContact OG1-N 2.97Å; T187-E189 PolarHBondContact OG1-OE2 3.38Å; T187-D190 PolarHBondContact N-OD2 3.43Å; T187-D190 WeakPolarHBondContact O-CB 3.37Å; T187-D190 PolarHBondContact O-N 3.37Å; T187-D190 VanDerWaalsContact O-N 3.09Å; T187-F191 WeakPolarHBondContact O-CD2 3.5Å; T187-F191 PolarHBondContact O-N 3.49Å | ||
| 188 | E | 90.6 | Very high | 89.3 | Confident | 69 Ų | 69 | 65 Ų | 65 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.4 | -38.2 | 173.9 | -170.9 | -172.5 | 134 | 0 | 0 | 111.7 | D190 F191 R192 Y203 | E188-D190 PolarHBondContact O-N 3.47Å; E188-F191 PolarHBondContact O-N 2.82Å; E188-R192 WeakPolarHBondContact O-CG 3.28Å; E188-R192 PolarHBondContact O-N 3.14Å; E188-R192 IonicContact OE1-CZ 3.11Å; E188-R192 IonicContact OE1-NE 3.85Å; E188-R192 IonicContact OE1-NH1 2.73Å; E188-R192 PolarHBondContact OE1-NH1 3.05Å; E188-R192 IonicContact OE1-NH2 3.38Å; E188-R192 PolarHBondContact OE1-NH2 3.36Å; E188-Y203 HydrophobicContact CB-CD1 3.64Å; E188-Y203 HydrophobicContact CB-CD2 4.37Å; E188-Y203 HydrophobicContact CB-CE1 3.72Å; E188-Y203 HydrophobicContact CB-CE2 4.44Å; E188-Y203 HydrophobicContact CB-CG 3.97Å; E188-Y203 HydrophobicContact CG-CD1 3.72Å; E188-Y203 HydrophobicContact CG-CE1 4.25Å; E188-Y203 HydrophobicContact CG-CG 4.1Å |
| 189 | E | 89.4 | Confident | 89.2 | Confident | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 175.9 | -64.9 | 66.5 | -140.6 | 0 | 0 | 111.8 | T187 F191 R192 Q193 | T187-E189 WeakPolarHBondContact CB-OE2 3.25Å; T187-E189 PolarHBondContact O-N 3.23Å; T187-E189 PolarHBondContact OG1-N 2.97Å; T187-E189 PolarHBondContact OG1-OE2 3.38Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 3.05Å; E189-R192 PolarHBondContact O-N 3.29Å; E189-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 IonicContact OE1-CZ 3.99Å; E189-R192 IonicContact OE1-NH2 2.76Å; E189-R192 PolarHBondContact OE1-NH2 2.9Å; E189-Q193 WeakPolarHBondContact O-CG 3.31Å; E189-Q193 PolarHBondContact O-N 3.49Å |
| 190 | D | 91 | Very high | 89 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 179.1 | -64.2 | -35.5 | 0 | 0 | 0 | 111.5 | M186 T187 E188 Q193 R194 | M186-D190 HydrophobicContact CB-CB 4Å; M186-D190 HydrophobicContact CE-CB 3.9Å; M186-D190 HydrophobicContact CG-CB 4.16Å; T187-D190 PolarHBondContact N-OD2 3.43Å; T187-D190 WeakPolarHBondContact O-CB 3.37Å; T187-D190 PolarHBondContact O-N 3.37Å; T187-D190 VanDerWaalsContact O-N 3.09Å; E188-D190 PolarHBondContact O-N 3.47Å; D190-Q193 PolarHBondContact O-N 3.49Å; D190-R194 WeakPolarHBondContact O-CG 3.41Å; D190-R194 PolarHBondContact O-N 3.43Å; D190-R194 VanDerWaalsContact O-N 3.1Å |
| 191 | F | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 172.9 | -87.1 | -101.1 | 0 | 0 | 0 | 111.9 | F175 L183 M186 T187 E188 E189 R194 S195 G199 L202 Y203 L206 | F175-F191 HydrophobicContact CD1-CE1 4.44Å; F175-F191 AromaticContact CE1-CD1 3.57Å; F175-F191 HydrophobicContact CE1-CD1 3.57Å; F175-F191 AromaticContact CE1-CE1 3.7Å; F175-F191 HydrophobicContact CE1-CE1 3.7Å; F175-F191 HydrophobicContact CE1-CG 4.26Å; F175-F191 HydrophobicContact CE1-CZ 4.49Å; F175-F191 AromaticContact CZ-CD1 3.82Å; F175-F191 HydrophobicContact CZ-CD1 3.82Å; F175-F191 HydrophobicContact CZ-CE1 4.29Å; L183-F191 HydrophobicContact CB-CZ 4.49Å; L183-F191 HydrophobicContact CD2-CE1 3.71Å; L183-F191 HydrophobicContact CD2-CE2 4.26Å; L183-F191 HydrophobicContact CD2-CZ 3.3Å; L183-F191 HydrophobicContact CG-CZ 4.47Å; M186-F191 HydrophobicContact CB-CD2 4Å; M186-F191 HydrophobicContact CB-CE2 3.73Å; M186-F191 HydrophobicContact CE-CD2 3.51Å; M186-F191 HydrophobicContact CE-CE2 3.64Å; M186-F191 HydrophobicContact CE-CG 4.02Å; M186-F191 HydrophobicContact CE-CZ 4.24Å; M186-F191 HydrophobicContact SD-CE2 4.5Å; T187-F191 WeakPolarHBondContact O-CD2 3.5Å; T187-F191 PolarHBondContact O-N 3.49Å; E188-F191 PolarHBondContact O-N 2.82Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 3.05Å; F191-R194 PolarHBondContact O-N 3.33Å; F191-S195 PolarHBondContact O-N 3.14Å; F191-G199 WeakPolarHBondContact CB-O 3.36Å; F191-G199 WeakPolarHBondContact O-CA 3.42Å; F191-L202 HydrophobicContact CD1-CB 3.94Å; F191-L202 HydrophobicContact CE1-CB 4.19Å; F191-Y203 AromaticContact CD2-CD2 3.57Å; F191-Y203 HydrophobicContact CD2-CD2 3.57Å; F191-Y203 HydrophobicContact CD2-CE2 4.45Å; F191-Y203 HydrophobicContact CD2-CG 4.36Å; F191-Y203 AromaticContact CE2-CD2 3.76Å; F191-Y203 HydrophobicContact CE2-CD2 3.76Å; F191-Y203 HydrophobicContact CE2-CE2 4.49Å; F191-Y203 HydrophobicContact CG-CD2 4.18Å; F191-L206 HydrophobicContact CE2-CD2 4.24Å; F191-L206 HydrophobicContact CZ-CD2 3.65Å |
| 192 | R | 91.3 | Very high | 89.1 | Confident | 94 Ų | 94 | 63.1 Ų | 63.1 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 176.5 | -73 | -171.7 | -72.1 | -143.8 | -3.9 | 112.8 | E188 E189 R194 S195 M196 D200 | E188-R192 WeakPolarHBondContact O-CG 3.28Å; E188-R192 PolarHBondContact O-N 3.14Å; E188-R192 IonicContact OE1-CZ 3.11Å; E188-R192 IonicContact OE1-NE 3.85Å; E188-R192 IonicContact OE1-NH1 2.73Å; E188-R192 PolarHBondContact OE1-NH1 3.05Å; E188-R192 IonicContact OE1-NH2 3.38Å; E188-R192 PolarHBondContact OE1-NH2 3.36Å; E189-R192 PolarHBondContact O-N 3.29Å; E189-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 IonicContact OE1-CZ 3.99Å; E189-R192 IonicContact OE1-NH2 2.76Å; E189-R192 PolarHBondContact OE1-NH2 2.9Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R192-S195 CarbonylContact O-C 3.11Å; R192-S195 PolarHBondContact O-N 3.08Å; R192-M196 WeakPolarHBondContact O-CA 3.44Å; R192-M196 PolarHBondContact O-N 3.34Å; R192-M196 VanDerWaalsContact O-N 3.14Å; R192-D200 HydrophobicContact CG-CB 4.27Å |
| 193 | Q | 90.8 | Very high | 89.2 | Confident | 158 Ų | 158 | 62 Ų | 62 | 74% | 0.738 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.5 | -36.1 | 176 | -70.7 | -59.5 | -37.5 | 0 | 0 | 111.9 | E189 D190 | E189-Q193 WeakPolarHBondContact O-CG 3.31Å; E189-Q193 PolarHBondContact O-N 3.49Å; D190-Q193 PolarHBondContact O-N 3.49Å |
| 194 | R | 86.9 | Confident | 89.1 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.3 | -37.8 | 174.6 | -73.3 | 175.2 | -177.9 | -93.3 | 1.7 | 112.3 | V174 F175 D190 F191 R192 | V174-R194 HydrophobicContact CG1-CB 3.92Å; V174-R194 HydrophobicContact CG1-CG 4.36Å; V174-R194 VanDerWaalsContact CG1-O 3.25Å; V174-R194 WeakPolarHBondContact CG1-O 3.15Å; V174-R194 PolarHBondContact O-NH1 2.95Å; V174-R194 VanDerWaalsContact O-NH1 3.11Å; F175-R194 HydrophobicContact CE1-CB 4.17Å; F175-R194 HydrophobicContact CE2-CB 4.38Å; F175-R194 HydrophobicContact CZ-CB 3.87Å; D190-R194 WeakPolarHBondContact O-CG 3.41Å; D190-R194 PolarHBondContact O-N 3.43Å; D190-R194 VanDerWaalsContact O-N 3.1Å; F191-R194 PolarHBondContact O-N 3.33Å; R192-R194 VanDerWaalsContact C-N 3.34Å |
| 195 | S | 86.1 | Confident | 89.2 | Confident | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | trans | -139.6 | 98.9 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | F191 R192 Q197 C198 G199 | F191-S195 PolarHBondContact O-N 3.14Å; R192-S195 CarbonylContact O-C 3.11Å; R192-S195 PolarHBondContact O-N 3.08Å; S195-Q197 PolarHBondContact O-N 3.5Å; S195-Q197 VanDerWaalsContact O-N 3.13Å; S195-C198 PolarHBondContact O-N 2.95Å; S195-C198 PolarHBondContact OG-N 3.35Å; S195-C198 PolarHBondContact OG-SG 3.23Å; S195-G199 WeakPolarHBondContact O-CA 3.28Å; S195-G199 PolarHBondContact O-N 3.14Å | ||
| 196 | M | 83.6 | Confident | 89.3 | Confident | 181 Ų | 181 | 59.4 Ų | 59.4 | 89% | 0.892 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.4 | -179.9 | -67.5 | -169.6 | 69.9 | 0 | 0 | 113.6 | R192 | R192-M196 WeakPolarHBondContact O-CA 3.44Å; R192-M196 PolarHBondContact O-N 3.34Å; R192-M196 VanDerWaalsContact O-N 3.14Å |
| 197 | Q | 82.6 | Confident | 89.3 | Confident | 127 Ų | 127 | 61.3 Ų | 61.3 | 59% | 0.593 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -20.1 | -171.7 | 67.7 | -165 | 8.2 | 0 | 0 | 114 | P169 S195 | P169-Q197 VanDerWaalsContact CB-NE2 3.26Å; P169-Q197 HydrophobicContact CG-CG 4.4Å; S195-Q197 PolarHBondContact O-N 3.5Å; S195-Q197 VanDerWaalsContact O-N 3.13Å |
| 198 | C | 87.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -153.5 | 11 | -178 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | L168 V171 S195 D200 L201 L202 | L168-C198 HydrophobicContact CD1-CB 4.15Å; L168-C198 HydrophobicContact CD2-CB 4.01Å; L168-C198 HydrophobicContact CG-CB 4.5Å; V171-C198 WeakPolarHBondContact CG1-SG 3.5Å; S195-C198 PolarHBondContact O-N 2.95Å; S195-C198 PolarHBondContact OG-N 3.35Å; S195-C198 PolarHBondContact OG-SG 3.23Å; C198-D200 VanDerWaalsContact C-N 3.35Å; C198-D200 PolarHBondContact O-N 3.4Å; C198-L201 PolarHBondContact O-N 3.46Å; C198-L202 VanDerWaalsContact O-CG 3.26Å; C198-L202 WeakPolarHBondContact O-CG 3.31Å; C198-L202 PolarHBondContact O-N 2.87Å |
| 199 | G | 87.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F191 S195 L202 Y203 | F191-G199 WeakPolarHBondContact CB-O 3.36Å; F191-G199 WeakPolarHBondContact O-CA 3.42Å; S195-G199 WeakPolarHBondContact O-CA 3.28Å; S195-G199 PolarHBondContact O-N 3.14Å; G199-L202 PolarHBondContact O-N 2.88Å; G199-Y203 WeakPolarHBondContact O-CB 3.5Å; G199-Y203 PolarHBondContact O-N 3.28Å |
| 200 | D | 88.3 | Confident | 89.1 | Confident | 82 Ų | 82 | 58 Ų | 58 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 173.7 | 55.7 | -16 | 0 | 0 | 0 | 112.5 | R192 C198 Y203 A204 | R192-D200 HydrophobicContact CG-CB 4.27Å; C198-D200 VanDerWaalsContact C-N 3.35Å; C198-D200 PolarHBondContact O-N 3.4Å; D200-Y203 PolarHBondContact O-N 2.84Å; D200-A204 WeakPolarHBondContact O-CB 3.35Å; D200-A204 PolarHBondContact O-N 3.1Å |
| 201 | L | 90.5 | Very high | 88.7 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.7 | -178.8 | 66.7 | 0 | 0 | 0 | 112.1 | Y166 L168 C198 Y203 A204 H205 | Y166-L201 HydrophobicContact CD1-CD2 4.37Å; Y166-L201 HydrophobicContact CD2-CD2 4.32Å; Y166-L201 HydrophobicContact CG-CD2 3.96Å; L168-L201 HydrophobicContact CD1-CD2 3.95Å; L168-L201 HydrophobicContact CD2-CD2 3.58Å; L168-L201 HydrophobicContact CG-CD2 4.3Å; C198-L201 PolarHBondContact O-N 3.46Å; L201-Y203 VanDerWaalsContact C-N 3.32Å; L201-Y203 PolarHBondContact O-N 3.32Å; L201-A204 PolarHBondContact O-N 3.48Å; L201-H205 VanDerWaalsContact O-CB 3.32Å; L201-H205 WeakPolarHBondContact O-CB 3.31Å; L201-H205 PolarHBondContact O-N 2.99Å |
| 202 | L | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 177.1 | -69.8 | 167.6 | 0 | 0 | 0 | 111.3 | L159 T162 L168 V171 F175 F191 C198 G199 H205 L206 | L159-L202 HydrophobicContact CD2-CD1 4.49Å; L159-L202 HydrophobicContact CD2-CD2 4.03Å; T162-L202 HydrophobicContact CG2-CD2 3.8Å; L168-L202 HydrophobicContact CD1-CD2 4.13Å; V171-L202 HydrophobicContact CG2-CD1 3.95Å; F175-L202 HydrophobicContact CE2-CD1 3.76Å; F175-L202 HydrophobicContact CZ-CD1 3.95Å; F191-L202 HydrophobicContact CD1-CB 3.94Å; F191-L202 HydrophobicContact CE1-CB 4.19Å; C198-L202 VanDerWaalsContact O-CG 3.26Å; C198-L202 WeakPolarHBondContact O-CG 3.31Å; C198-L202 PolarHBondContact O-N 2.87Å; G199-L202 PolarHBondContact O-N 2.88Å; L202-H205 PolarHBondContact O-N 3.47Å; L202-L206 WeakPolarHBondContact O-CB 3.09Å; L202-L206 PolarHBondContact O-N 3.03Å |
| 203 | Y | 92.2 | Very high | 87.8 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 22% | 0.216 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | 176.8 | -176.8 | -97.5 | 0 | 0 | 0 | 111.7 | E188 F191 G199 D200 L201 H205 L206 D207 | E188-Y203 HydrophobicContact CB-CD1 3.64Å; E188-Y203 HydrophobicContact CB-CD2 4.37Å; E188-Y203 HydrophobicContact CB-CE1 3.72Å; E188-Y203 HydrophobicContact CB-CE2 4.44Å; E188-Y203 HydrophobicContact CB-CG 3.97Å; E188-Y203 HydrophobicContact CG-CD1 3.72Å; E188-Y203 HydrophobicContact CG-CE1 4.25Å; E188-Y203 HydrophobicContact CG-CG 4.1Å; F191-Y203 AromaticContact CD2-CD2 3.57Å; F191-Y203 HydrophobicContact CD2-CD2 3.57Å; F191-Y203 HydrophobicContact CD2-CE2 4.45Å; F191-Y203 HydrophobicContact CD2-CG 4.36Å; F191-Y203 AromaticContact CE2-CD2 3.76Å; F191-Y203 HydrophobicContact CE2-CD2 3.76Å; F191-Y203 HydrophobicContact CE2-CE2 4.49Å; F191-Y203 HydrophobicContact CG-CD2 4.18Å; G199-Y203 WeakPolarHBondContact O-CB 3.5Å; G199-Y203 PolarHBondContact O-N 3.28Å; D200-Y203 PolarHBondContact O-N 2.84Å; L201-Y203 VanDerWaalsContact C-N 3.32Å; L201-Y203 PolarHBondContact O-N 3.32Å; Y203-H205 VanDerWaalsContact C-N 3.28Å; Y203-H205 PolarHBondContact O-N 3.47Å; Y203-L206 PolarHBondContact O-N 3.25Å; Y203-D207 PolarHBondContact O-N 3.39Å |
| 204 | A | 90.3 | Very high | 86.7 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D200 L201 D207 I208 | D200-A204 WeakPolarHBondContact O-CB 3.35Å; D200-A204 PolarHBondContact O-N 3.1Å; L201-A204 PolarHBondContact O-N 3.48Å; A204-D207 PolarHBondContact O-N 3.23Å; A204-I208 WeakPolarHBondContact O-CG1 3.45Å; A204-I208 PolarHBondContact O-N 3.45Å; A204-I208 VanDerWaalsContact O-N 3.14Å |
| 205 | H | 90.3 | Very high | 85.7 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 177.3 | -162.3 | 69.5 | 0 | 0 | 0 | 112.2 | W158 W161 T162 Y166 L201 L202 Y203 D207 I208 W209 | W158-H205 AromaticContact NE1-CD2 3.53Å; W161-H205 AromaticContact CZ3-CE1 3.99Å; W161-H205 AromaticContact CZ3-NE2 3.34Å; W161-H205 VanDerWaalsContact CZ3-NE2 3.34Å; W161-H205 WeakPolarHBondContact CZ3-NE2 3.22Å; T162-H205 HydrophobicContact CG2-CB 4.43Å; Y166-H205 AromaticContact CE2-CE1 3.93Å; Y166-H205 AromaticContact CE2-CG 3.98Å; Y166-H205 AromaticContact CE2-ND1 3.62Å; Y166-H205 AromaticContact CZ-ND1 3.77Å; Y166-H205 PolarHBondContact OH-CE1 3.34Å; Y166-H205 PolarHBondContact OH-ND1 3.08Å; L201-H205 VanDerWaalsContact O-CB 3.32Å; L201-H205 WeakPolarHBondContact O-CB 3.31Å; L201-H205 PolarHBondContact O-N 2.99Å; L202-H205 PolarHBondContact O-N 3.47Å; Y203-H205 VanDerWaalsContact C-N 3.28Å; Y203-H205 PolarHBondContact O-N 3.47Å; H205-D207 VanDerWaalsContact C-N 3.31Å; H205-D207 PolarHBondContact O-N 2.92Å; H205-I208 WeakPolarHBondContact O-CB 3.49Å; H205-I208 PolarHBondContact O-N 2.87Å; H205-W209 AromaticContact CD2-CD1 4Å; H205-W209 AromaticContact CD2-NE1 3.79Å; H205-W209 AromaticContact NE2-CD1 3.78Å; H205-W209 AromaticContact NE2-NE1 3.21Å; H205-W209 PolarHBondContact NE2-NE1 2.98Å; H205-W209 VanDerWaalsContact O-CD1 3.27Å; H205-W209 PolarHBondContact O-N 3.01Å |
| 206 | L | 91.7 | Very high | 84 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 172.4 | -178 | 63.6 | 0 | 0 | 0 | 112 | P147 W150 W158 L183 F191 L202 Y203 I208 W209 R210 | P147-L206 HydrophobicContact CB-CD1 3.7Å; P147-L206 HydrophobicContact CG-CD1 3.93Å; W150-L206 HydrophobicContact CZ3-CD1 4.12Å; W158-L206 HydrophobicContact CH2-CB 3.86Å; W158-L206 HydrophobicContact CH2-CD1 4.23Å; W158-L206 HydrophobicContact CH2-CG 4.49Å; W158-L206 HydrophobicContact CZ2-CB 3.84Å; W158-L206 HydrophobicContact CZ2-CD1 4.23Å; L183-L206 HydrophobicContact CB-CD2 4.04Å; F191-L206 HydrophobicContact CE2-CD2 4.24Å; F191-L206 HydrophobicContact CZ-CD2 3.65Å; L202-L206 WeakPolarHBondContact O-CB 3.09Å; L202-L206 PolarHBondContact O-N 3.03Å; Y203-L206 PolarHBondContact O-N 3.25Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 PolarHBondContact O-N 3.27Å; L206-W209 PolarHBondContact O-N 2.85Å; L206-R210 PolarHBondContact O-N 3.32Å |
| 207 | D | 88.8 | Confident | 81.8 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 178.7 | -161.7 | 55.1 | 0 | 0 | 0 | 112.3 | Y203 A204 H205 R210 S211 | Y203-D207 PolarHBondContact O-N 3.39Å; A204-D207 PolarHBondContact O-N 3.23Å; H205-D207 VanDerWaalsContact C-N 3.31Å; H205-D207 PolarHBondContact O-N 2.92Å; D207-R210 PolarHBondContact O-N 2.86Å; D207-R210 IonicContact OD1-CZ 3.33Å; D207-R210 IonicContact OD1-NH1 2.67Å; D207-R210 PolarHBondContact OD1-NH1 3.28Å; D207-R210 IonicContact OD1-NH2 3.65Å; D207-S211 VanDerWaalsContact O-CB 3.23Å; D207-S211 WeakPolarHBondContact O-CB 3.17Å; D207-S211 PolarHBondContact O-N 3.42Å; D207-S211 PolarHBondContact O-OG 3.03Å |
| 208 | I | 89.6 | Confident | 79.9 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 170.1 | -69.7 | 168 | 0 | 0 | 0 | 110.5 | V130 I134 A204 H205 L206 S211 A212 | V130-I208 HydrophobicContact CG1-CG2 3.43Å; V130-I208 VanDerWaalsContact CG1-CG2 3.43Å; I134-I208 HydrophobicContact CD1-CG2 3.91Å; A204-I208 WeakPolarHBondContact O-CG1 3.45Å; A204-I208 PolarHBondContact O-N 3.45Å; A204-I208 VanDerWaalsContact O-N 3.14Å; H205-I208 WeakPolarHBondContact O-CB 3.49Å; H205-I208 PolarHBondContact O-N 2.87Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 PolarHBondContact O-N 3.27Å; I208-S211 PolarHBondContact O-N 3.21Å; I208-A212 WeakPolarHBondContact O-CB 3.46Å; I208-A212 PolarHBondContact O-N 3.05Å |
| 209 | W | 90.3 | Very high | 77.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 178 | -78.4 | 70.3 | 0 | 0 | 0 | 112.3 | I134 A137 I143 P147 W150 W158 W161 H205 L206 S211 A212 A213 | I134-W209 HydrophobicContact CG1-CD2 4.41Å; I134-W209 HydrophobicContact CG2-CD2 4.16Å; I134-W209 HydrophobicContact CG2-CE3 3.87Å; I134-W209 HydrophobicContact CG2-CH2 4.23Å; I134-W209 HydrophobicContact CG2-CZ2 4.45Å; I134-W209 HydrophobicContact CG2-CZ3 3.93Å; A137-W209 HydrophobicContact CB-CH2 3.84Å; A137-W209 HydrophobicContact CB-CZ2 3.75Å; I143-W209 HydrophobicContact CD1-CH2 3.84Å; I143-W209 HydrophobicContact CD1-CZ3 4.11Å; I143-W209 HydrophobicContact CG1-CH2 4.28Å; I143-W209 HydrophobicContact CG1-CZ3 4.36Å; P147-W209 HydrophobicContact CG-CB 3.56Å; W150-W209 AromaticContact CH2-CD2 3.97Å; W150-W209 HydrophobicContact CH2-CD2 3.97Å; W150-W209 AromaticContact CH2-CE3 3.84Å; W150-W209 HydrophobicContact CH2-CE3 3.84Å; W150-W209 HydrophobicContact CH2-CG 4.34Å; W150-W209 HydrophobicContact CH2-CZ3 4.28Å; W150-W209 HydrophobicContact CZ2-CD2 4.01Å; W150-W209 AromaticContact CZ2-CE3 3.39Å; W150-W209 HydrophobicContact CZ2-CE3 3.39Å; W150-W209 HydrophobicContact CZ2-CH2 4.38Å; W150-W209 AromaticContact CZ2-CZ3 3.59Å; W150-W209 HydrophobicContact CZ2-CZ3 3.59Å; W158-W209 AromaticContact CD1-CE2 3.95Å; W158-W209 AromaticContact NE1-CD1 3.95Å; W158-W209 AromaticContact NE1-NE1 3.68Å; W161-W209 HydrophobicContact CZ3-CZ2 4.2Å; H205-W209 AromaticContact CD2-CD1 4Å; H205-W209 AromaticContact CD2-NE1 3.79Å; H205-W209 AromaticContact NE2-CD1 3.78Å; H205-W209 AromaticContact NE2-NE1 3.21Å; H205-W209 PolarHBondContact NE2-NE1 2.98Å; H205-W209 VanDerWaalsContact O-CD1 3.27Å; H205-W209 PolarHBondContact O-N 3.01Å; L206-W209 PolarHBondContact O-N 2.85Å; W209-S211 VanDerWaalsContact C-N 3.32Å; W209-S211 PolarHBondContact O-N 3.44Å; W209-A212 PolarHBondContact O-N 3.28Å; W209-A213 WeakPolarHBondContact O-CB 3.4Å; W209-A213 PolarHBondContact O-N 3.27Å |
| 210 | R | 86.8 | Confident | 74.4 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 174 | -77.5 | 173.7 | 51.8 | -125.9 | -17 | 111.7 | P147 L206 D207 A212 A213 C214 | P147-R210 HydrophobicContact CG-CG 4.23Å; L206-R210 PolarHBondContact O-N 3.32Å; D207-R210 PolarHBondContact O-N 2.86Å; D207-R210 IonicContact OD1-CZ 3.33Å; D207-R210 IonicContact OD1-NH1 2.67Å; D207-R210 PolarHBondContact OD1-NH1 3.28Å; D207-R210 IonicContact OD1-NH2 3.65Å; R210-A212 VanDerWaalsContact C-N 3.33Å; R210-A213 PolarHBondContact O-N 2.76Å; R210-C214 PolarHBondContact O-N 3.44Å; R210-C214 VanDerWaalsContact O-N 3.12Å |
| 211 | S | 84 | Confident | 71.9 | Confident | 57 Ų | 57 | 63 Ų | 63 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.8 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | D207 I208 W209 M215 | D207-S211 VanDerWaalsContact O-CB 3.23Å; D207-S211 WeakPolarHBondContact O-CB 3.17Å; D207-S211 PolarHBondContact O-N 3.42Å; D207-S211 PolarHBondContact O-OG 3.03Å; I208-S211 PolarHBondContact O-N 3.21Å; W209-S211 VanDerWaalsContact C-N 3.32Å; W209-S211 PolarHBondContact O-N 3.44Å; S211-M215 VanDerWaalsContact O-CG 3.32Å; S211-M215 WeakPolarHBondContact O-CG 3.33Å |
| 212 | A | 82.6 | Confident | 69.1 | Low | 10 Ų | 10 | 63.6 Ų | 63.6 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L131 I134 I208 W209 R210 C214 M215 K216 | L131-A212 HydrophobicContact CD2-CB 3.63Å; I134-A212 HydrophobicContact CD1-CB 3.36Å; I208-A212 WeakPolarHBondContact O-CB 3.46Å; I208-A212 PolarHBondContact O-N 3.05Å; W209-A212 PolarHBondContact O-N 3.28Å; R210-A212 VanDerWaalsContact C-N 3.33Å; A212-C214 VanDerWaalsContact C-N 3.34Å; A212-C214 PolarHBondContact O-N 3.34Å; A212-M215 WeakPolarHBondContact O-CA 3.41Å; A212-M215 WeakPolarHBondContact O-CB 3.37Å; A212-M215 PolarHBondContact O-N 2.94Å; A212-K216 PolarHBondContact O-N 3.09Å |
| 213 | A | 80.7 | Confident | 66.1 | Low | 4 Ų | 4 | 70.6 Ų | 70.6 | 3% | 0.033 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D146 W209 R210 M215 K216 E217 | D146-A213 HydrophobicContact CB-CB 3.78Å; W209-A213 WeakPolarHBondContact O-CB 3.4Å; W209-A213 PolarHBondContact O-N 3.27Å; R210-A213 PolarHBondContact O-N 2.76Å; A213-M215 PolarHBondContact O-N 2.96Å; A213-M215 VanDerWaalsContact O-N 3.08Å; A213-K216 PolarHBondContact O-N 3.34Å; A213-E217 PolarHBondContact O-N 3.4Å |
| 214 | C | 68.2 | Low | 63.7 | Low | 112 Ų | 112 | 72.7 Ų | 72.7 | 76% | 0.757 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.8 | 173.2 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | R210 A212 | R210-C214 PolarHBondContact O-N 3.44Å; R210-C214 VanDerWaalsContact O-N 3.12Å; A212-C214 VanDerWaalsContact C-N 3.34Å; A212-C214 PolarHBondContact O-N 3.34Å |
| 215 | M | 65.2 | Low | 61 | Low | 123 Ų | 123 | 80.6 Ų | 80.6 | 61% | 0.606 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -15.5 | 176.1 | -50.6 | -149.7 | -175.2 | 0 | 0 | 113.9 | S211 A212 A213 | S211-M215 VanDerWaalsContact O-CG 3.32Å; S211-M215 WeakPolarHBondContact O-CG 3.33Å; A212-M215 WeakPolarHBondContact O-CA 3.41Å; A212-M215 WeakPolarHBondContact O-CB 3.37Å; A212-M215 PolarHBondContact O-N 2.94Å; A213-M215 PolarHBondContact O-N 2.96Å; A213-M215 VanDerWaalsContact O-N 3.08Å |
| 216 | K | 50.6 | Low | 58.3 | Low | 107 Ų | 107 | 87.4 Ų | 87.4 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -15.1 | -167.2 | -139.3 | 176.3 | -174.6 | 176.7 | 0 | 116 | E135 P145 A212 A213 P218 | E135-K216 IonicContact OE1-NZ 2.88Å; E135-K216 PolarHBondContact OE1-NZ 2.9Å; P145-K216 HydrophobicContact CB-CD 4.43Å; P145-K216 HydrophobicContact CG-CD 4.2Å; A212-K216 PolarHBondContact O-N 3.09Å; A213-K216 PolarHBondContact O-N 3.34Å; K216-P218 WeakPolarHBondContact O-CD 3.34Å |
| 217 | E | 38.5 | Very low | 55.7 | Low | 95 Ų | 95 | 96.7 Ų | 96.7 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | trans | -57 | 114.2 | -174.9 | -106.5 | -81 | 122.8 | 0 | 0 | 114.9 | A213 C219 | A213-E217 PolarHBondContact O-N 3.4Å; E217-C219 PolarHBondContact OE2-SG 3.1Å | ||
| 218 | P | 41.8 | Very low | 52.8 | Low | 115 Ų | 115 | 97 Ų | 97 | 75% | 0.747 | 55% | 0.546 | S | S | * | . | trans | -106.7 | 108.6 | 168.2 | 21.7 | -0.6 | 0 | 0 | 0 | 110.3 | K216 | K216-P218 WeakPolarHBondContact O-CD 3.34Š| ||
| 219 | C | 33.1 | Very low | 50.1 | Low | 75 Ų | 75 | 98.8 Ų | 98.8 | 51% | 0.507 | 57% | 0.57 | S | S | . | * | trans | -129.4 | 141.6 | -178.1 | -90.8 | 0 | 0 | 0 | 0 | 115 | E217 | E217-C219 PolarHBondContact OE2-SG 3.1Š| ||
| 220 | T | 28.4 | Very low | 47.3 | Very low | 120 Ų | 120 | 107.1 Ų | 107.1 | 74% | 0.736 | 61% | 0.609 | S | S | * | * | trans | -78.1 | 164.5 | -165.2 | 41.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 221 | P | 34.8 | Very low | 44.6 | Very low | 107 Ų | 107 | 111 Ų | 111 | 70% | 0.695 | 63% | 0.632 | S | S | * | * | trans | -91.5 | 125.4 | -168.6 | 9.6 | 9.9 | 0 | 0 | 0 | 112.8 | P294 | P221-P294 HydrophobicContact CG-CG 4.45Š| ||
| 222 | G | 31.4 | Very low | 42 | Very low | 74 Ų | 74 | 113.5 Ų | 113.5 | 76% | 0.763 | 65% | 0.649 | S | S | * | * | trans | -146.5 | 83.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 223 | D | 29.4 | Very low | 39.5 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 79% | 0.786 | 68% | 0.679 | S | S | * | * | trans | 56.4 | 142 | 151.6 | -137.2 | 2 | 0 | 0 | 0 | 124.6 | ||||
| 224 | N | 40.3 | Very low | 37.3 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 54% | 0.535 | 71% | 0.714 | S | S | . | * | trans | -73.1 | 159.3 | -169.8 | -87.2 | -26.5 | 0 | 0 | 0 | 116.1 | ||||
| 225 | R | 34.3 | Very low | 35.7 | Very low | 216 Ų | 216 | 131.5 Ų | 131.5 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | 170.1 | 109.5 | 112.3 | -85.9 | 164.2 | -139.2 | -138.3 | 8.5 | 109.4 | |||||
| 226 | L | 34.3 | Very low | 34.9 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | 71 | 135.9 | 96.6 | -74.4 | 177.3 | 0 | 0 | 0 | 116.5 | |||||
| 227 | H | 36.4 | Very low | 34 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 91% | 0.912 | 74% | 0.736 | S | S | * | * | trans | 114 | 126 | 175.1 | -75.1 | -86 | 0 | 0 | 0 | 112.1 | ||||
| 228 | G | 28.9 | Very low | 34.6 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | 127.8 | 128 | 13.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 229 | A | 31.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 80.8 | 109.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 230 | E | 31.8 | Very low | 34.4 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 69.8 | 101.3 | 74.6 | -157.9 | -172.2 | 151.9 | 0 | 0 | 111.9 | |||||
| 231 | E | 30.4 | Very low | 35.1 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 165.9 | 142 | 123.6 | -92.7 | -176.4 | 155.3 | 0 | 0 | 112.4 | |||||
| 232 | S | 29.7 | Very low | 35.4 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 53.7 | 128.5 | 145.4 | -142.8 | 0 | 0 | 0 | 0 | 120.8 | P234 | S232-P234 VanDerWaalsContact O-CD 3.32Å; S232-P234 WeakPolarHBondContact O-CD 3.47Å | ||
| 233 | W | 29.5 | Very low | 36.1 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 71% | 0.705 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 124.6 | -174.3 | -66.4 | 76.7 | 0 | 0 | 0 | 113.1 | W248 | W233-W248 HydrophobicContact CE3-CH2 4Å; W233-W248 HydrophobicContact CE3-CZ2 4.28Å; W233-W248 HydrophobicContact CH2-CD2 4.48Å; W233-W248 AromaticContact CH2-CE2 3.8Å; W233-W248 HydrophobicContact CH2-CE3 4.32Å; W233-W248 AromaticContact CH2-CH2 2.86Å; W233-W248 HydrophobicContact CH2-CH2 2.86Å; W233-W248 AromaticContact CH2-CZ2 2.91Å; W233-W248 HydrophobicContact CH2-CZ2 2.91Å; W233-W248 AromaticContact CH2-CZ3 3.58Å; W233-W248 HydrophobicContact CH2-CZ3 3.58Å; W233-W248 AromaticContact CZ2-CH2 3.94Å; W233-W248 HydrophobicContact CZ2-CH2 3.94Å; W233-W248 AromaticContact CZ2-CZ2 3.54Å; W233-W248 HydrophobicContact CZ2-CZ2 3.54Å; W233-W248 AromaticContact CZ3-CH2 2.9Å; W233-W248 HydrophobicContact CZ3-CH2 2.9Å; W233-W248 AromaticContact CZ3-CZ2 3.37Å; W233-W248 HydrophobicContact CZ3-CZ2 3.37Å; W233-W248 AromaticContact CZ3-CZ3 3.74Å; W233-W248 HydrophobicContact CZ3-CZ3 3.74Å |
| 234 | P | 35.7 | Very low | 38 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 148.6 | 157.3 | 2.1 | 20.4 | 0 | 0 | 0 | 110.8 | S232 | S232-P234 VanDerWaalsContact O-CD 3.32Å; S232-P234 WeakPolarHBondContact O-CD 3.47Å |
| 235 | K | 34.5 | Very low | 40.1 | Very low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 148.1 | 177.8 | -155.9 | 167.4 | -177.4 | 174.4 | 0 | 111.4 | D237 | K235-D237 PolarHBondContact O-N 3.11Š|
| 236 | A | 47 | Very low | 42.8 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 60% | 0.603 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 122.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 237 | D | 32 | Very low | 45.6 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | trans | -151.1 | 137 | 151.7 | -71.6 | -44 | 0 | 0 | 0 | 107.8 | K235 | K235-D237 PolarHBondContact O-N 3.11Š| ||
| 238 | S | 52.2 | Low | 48.4 | Very low | 124 Ų | 124 | 109.7 Ų | 109.7 | 87% | 0.867 | 66% | 0.658 | S | S | * | * | trans | -49 | 141.1 | 178.2 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 239 | S | 33.2 | Very low | 51.5 | Low | 121 Ų | 121 | 109.6 Ų | 109.6 | 85% | 0.846 | 64% | 0.639 | S | S | * | * | 173 | 162.8 | 115.8 | -151.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 240 | C | 37.8 | Very low | 54.4 | Low | 114 Ų | 114 | 105.2 Ų | 105.2 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | trans | -62.3 | 161.2 | -170.7 | -66.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 241 | S | 41.3 | Very low | 57.5 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 83% | 0.825 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 84.5 | 117.6 | 163.1 | 78 | 0 | 0 | 0 | 0 | 119 | ||
| 242 | G | 42.9 | Very low | 60.5 | Low | 81 Ų | 81 | 92.3 Ų | 92.3 | 84% | 0.835 | 54% | 0.537 | S | S | * | . | trans | 98.4 | -24 | 151 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 243 | Q | 45.5 | Very low | 63.4 | Low | 163 Ų | 163 | 90.4 Ų | 90.4 | 76% | 0.762 | 52% | 0.516 | S | S | * | . | trans | -83 | 141.1 | -171.3 | -64.7 | -63.6 | -36.8 | 0 | 0 | 114.3 | I245 | Q243-I245 PolarHBondContact O-N 3.34Š| ||
| 244 | P | 68.7 | Low | 66.4 | Low | 90 Ų | 90 | 81.8 Ų | 81.8 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | trans | -70.7 | 94.1 | 178.6 | 28.6 | -33.3 | 0 | 0 | 0 | 111.3 | ||||
| 245 | I | 84.1 | Confident | 69.1 | Low | 14 Ų | 14 | 76.1 Ų | 76.1 | 7% | 0.072 | 45% | 0.447 | C | S | . | . | trans | -68.5 | 142.3 | 173.1 | -169.8 | 165.3 | 0 | 0 | 0 | 111.5 | Q243 Q249 F250 W287 R290 K291 | Q243-I245 PolarHBondContact O-N 3.34Å; I245-Q249 HydrophobicContact CD1-CB 4.09Å; I245-Q249 HydrophobicContact CG1-CB 3.76Å; I245-F250 HydrophobicContact CD1-CB 3.92Å; I245-F250 HydrophobicContact CG1-CB 4.37Å; I245-W287 HydrophobicContact CG2-CH2 4.11Å; I245-W287 HydrophobicContact CG2-CZ3 3.84Å; I245-R290 VanDerWaalsContact CD1-NH2 3.28Å; I245-R290 HydrophobicContact CG2-CG 3.79Å; I245-R290 VanDerWaalsContact CG2-CZ 3.45Å; I245-K291 HydrophobicContact CG2-CD 3.81Å; I245-K291 PolarHBondContact O-NZ 3.43Å | ||
| 246 | H | 91.1 | Very high | 71.7 | Confident | 101 Ų | 101 | 70.9 Ų | 70.9 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | trans | -94.9 | 154.4 | 170.6 | -64.1 | 125.3 | 0 | 0 | 0 | 112.1 | W248 Q249 F250 | H246-W248 VanDerWaalsContact C-N 3.29Å; H246-W248 PolarHBondContact O-N 2.96Å; H246-Q249 WeakPolarHBondContact O-CB 3.46Å; H246-Q249 PolarHBondContact O-N 3.21Å; H246-Q249 VanDerWaalsContact O-N 3.1Å; H246-F250 PolarHBondContact O-N 2.79Å; H246-F250 VanDerWaalsContact O-N 3.14Å | ||
| 247 | L | 93.8 | Very high | 73.5 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.3 | -40.8 | -176.1 | 171.7 | 65.7 | 0 | 0 | 0 | 112.2 | Q249 F250 L251 W287 L301 I305 Y308 | L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.07Å; L247-F250 HydrophobicContact CD1-CD1 4.09Å; L247-F250 WeakPolarHBondContact O-CB 3.33Å; L247-F250 PolarHBondContact O-N 3.26Å; L247-L251 HydrophobicContact CD1-CD1 4.15Å; L247-L251 HydrophobicContact CD1-CD2 4.19Å; L247-L251 HydrophobicContact CD1-CG 3.9Å; L247-L251 HydrophobicContact CD2-CD1 4.5Å; L247-L251 HydrophobicContact CG-CD1 3.98Å; L247-L251 HydrophobicContact CG-CG 4.16Å; L247-L251 VanDerWaalsContact O-CG 3.32Å; L247-L251 WeakPolarHBondContact O-CG 3.27Å; L247-L251 PolarHBondContact O-N 3.1Å; L247-W287 VanDerWaalsContact CA-CH2 3.43Å; L247-W287 HydrophobicContact CB-CD2 4.44Å; L247-W287 HydrophobicContact CB-CH2 4.06Å; L247-W287 HydrophobicContact CB-CZ2 3.61Å; L247-W287 HydrophobicContact CD1-CB 4.38Å; L247-W287 HydrophobicContact CD1-CD2 3.61Å; L247-W287 HydrophobicContact CD1-CE3 4.16Å; L247-W287 HydrophobicContact CD1-CG 3.7Å; L247-W287 HydrophobicContact CD1-CZ2 4.35Å; L247-L301 HydrophobicContact CD1-CD1 3.8Å; L247-L301 HydrophobicContact CD1-CD2 4.21Å; L247-L301 HydrophobicContact CD1-CG 3.76Å; L247-L301 HydrophobicContact CD2-CD2 3.9Å; L247-L301 HydrophobicContact CD2-CG 3.76Å; L247-L301 WeakPolarHBondContact CD2-O 3.1Å; L247-L301 HydrophobicContact CG-CG 4.43Å; L247-I305 HydrophobicContact CD2-CG1 3.75Å; L247-Y308 HydrophobicContact CB-CE2 3.96Å; L247-Y308 WeakPolarHBondContact CB-OH 3.37Å; L247-Y308 HydrophobicContact CD2-CE2 4.18Å; L247-Y308 HydrophobicContact CG-CE2 4.24Å; L247-Y308 PolarHBondContact N-OH 2.87Å |
| 248 | W | 94.6 | Very high | 75.7 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.8 | -34.3 | -179.1 | 73.6 | -97.8 | 0 | 0 | 0 | 112.2 | W233 H246 R252 Y308 I313 I314 F327 | W233-W248 HydrophobicContact CE3-CH2 4Å; W233-W248 HydrophobicContact CE3-CZ2 4.28Å; W233-W248 HydrophobicContact CH2-CD2 4.48Å; W233-W248 AromaticContact CH2-CE2 3.8Å; W233-W248 HydrophobicContact CH2-CE3 4.32Å; W233-W248 AromaticContact CH2-CH2 2.86Å; W233-W248 HydrophobicContact CH2-CH2 2.86Å; W233-W248 AromaticContact CH2-CZ2 2.91Å; W233-W248 HydrophobicContact CH2-CZ2 2.91Å; W233-W248 AromaticContact CH2-CZ3 3.58Å; W233-W248 HydrophobicContact CH2-CZ3 3.58Å; W233-W248 AromaticContact CZ2-CH2 3.94Å; W233-W248 HydrophobicContact CZ2-CH2 3.94Å; W233-W248 AromaticContact CZ2-CZ2 3.54Å; W233-W248 HydrophobicContact CZ2-CZ2 3.54Å; W233-W248 AromaticContact CZ3-CH2 2.9Å; W233-W248 HydrophobicContact CZ3-CH2 2.9Å; W233-W248 AromaticContact CZ3-CZ2 3.37Å; W233-W248 HydrophobicContact CZ3-CZ2 3.37Å; W233-W248 AromaticContact CZ3-CZ3 3.74Å; W233-W248 HydrophobicContact CZ3-CZ3 3.74Å; H246-W248 VanDerWaalsContact C-N 3.29Å; H246-W248 PolarHBondContact O-N 2.96Å; W248-R252 WeakPolarHBondContact O-CB 3.31Å; W248-R252 PolarHBondContact O-N 2.99Å; W248-Y308 HydrophobicContact CB-CD2 4.17Å; W248-Y308 HydrophobicContact CB-CE2 3.74Å; W248-Y308 AromaticContact CD1-CZ 3.81Å; W248-Y308 HydrophobicContact CG-CE2 4.46Å; W248-I313 HydrophobicContact CB-CG2 3.83Å; W248-I313 HydrophobicContact CD2-CG2 4.03Å; W248-I313 HydrophobicContact CG-CG2 3.68Å; W248-I314 HydrophobicContact CB-CD1 4.48Å; W248-F327 HydrophobicContact CB-CE1 4.19Å; W248-F327 HydrophobicContact CE3-CE1 4.42Å |
| 249 | Q | 93.7 | Very high | 76.6 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 174.3 | -72.7 | 164.6 | -39.5 | 0 | 0 | 110.5 | I245 H246 L247 R252 E253 | I245-Q249 HydrophobicContact CD1-CB 4.09Å; I245-Q249 HydrophobicContact CG1-CB 3.76Å; H246-Q249 WeakPolarHBondContact O-CB 3.46Å; H246-Q249 PolarHBondContact O-N 3.21Å; H246-Q249 VanDerWaalsContact O-N 3.1Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.07Å; Q249-R252 WeakPolarHBondContact O-CB 3.3Å; Q249-R252 PolarHBondContact O-N 3.4Å; Q249-E253 WeakPolarHBondContact O-CB 3.32Å; Q249-E253 PolarHBondContact O-N 3.21Å |
| 250 | F | 94.1 | Very high | 78.4 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 4% | 0.044 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 178 | 167.5 | -100 | 0 | 0 | 0 | 111.9 | I245 H246 L247 R252 E253 L254 L286 W287 R290 | I245-F250 HydrophobicContact CD1-CB 3.92Å; I245-F250 HydrophobicContact CG1-CB 4.37Å; H246-F250 PolarHBondContact O-N 2.79Å; H246-F250 VanDerWaalsContact O-N 3.14Å; L247-F250 HydrophobicContact CD1-CD1 4.09Å; L247-F250 WeakPolarHBondContact O-CB 3.33Å; L247-F250 PolarHBondContact O-N 3.26Å; F250-R252 VanDerWaalsContact C-N 3.27Å; F250-R252 PolarHBondContact O-N 3.08Å; F250-E253 WeakPolarHBondContact O-CB 3.46Å; F250-E253 PolarHBondContact O-N 3.12Å; F250-E253 VanDerWaalsContact O-N 3.08Å; F250-L254 HydrophobicContact CD1-CD1 4.43Å; F250-L254 HydrophobicContact CE1-CD1 3.65Å; F250-L254 HydrophobicContact CE1-CG 4.2Å; F250-L254 HydrophobicContact CE2-CD1 4.27Å; F250-L254 HydrophobicContact CE2-CD2 3.89Å; F250-L254 HydrophobicContact CE2-CG 4.13Å; F250-L254 HydrophobicContact CZ-CD1 3.56Å; F250-L254 HydrophobicContact CZ-CD2 3.98Å; F250-L254 HydrophobicContact CZ-CG 3.92Å; F250-L254 WeakPolarHBondContact O-CG 3.47Å; F250-L254 PolarHBondContact O-N 3.14Å; F250-L286 HydrophobicContact CE2-CB 4.33Å; F250-L286 HydrophobicContact CZ-CB 3.59Å; F250-W287 HydrophobicContact CB-CE3 3.58Å; F250-W287 HydrophobicContact CB-CH2 4.48Å; F250-W287 HydrophobicContact CB-CZ3 3.43Å; F250-W287 VanDerWaalsContact CB-CZ3 3.43Å; F250-W287 HydrophobicContact CD1-CB 4.06Å; F250-W287 HydrophobicContact CD1-CD2 4.06Å; F250-W287 AromaticContact CD1-CE3 3.42Å; F250-W287 HydrophobicContact CD1-CE3 3.42Å; F250-W287 VanDerWaalsContact CD1-CE3 3.42Å; F250-W287 HydrophobicContact CD1-CG 4.35Å; F250-W287 HydrophobicContact CD1-CZ3 4.19Å; F250-W287 HydrophobicContact CD2-CE3 4.02Å; F250-W287 HydrophobicContact CD2-CZ3 4.43Å; F250-W287 HydrophobicContact CE1-CB 3.62Å; F250-W287 HydrophobicContact CE1-CE3 4.08Å; F250-W287 HydrophobicContact CE1-CG 4.38Å; F250-W287 HydrophobicContact CG-CD2 4.42Å; F250-W287 AromaticContact CG-CE3 3.37Å; F250-W287 HydrophobicContact CG-CE3 3.37Å; F250-W287 AromaticContact CG-CZ3 3.77Å; F250-W287 HydrophobicContact CG-CZ3 3.77Å; F250-W287 HydrophobicContact CZ-CB 4.18Å; F250-R290 HydrophobicContact CD2-CB 4.13Å; F250-R290 HydrophobicContact CD2-CG 3.86Å; F250-R290 HydrophobicContact CE2-CB 4.09Å; F250-R290 HydrophobicContact CE2-CG 4.28Å |
| 251 | L | 95.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 176.3 | -66.9 | 175.8 | 0 | 0 | 0 | 111.4 | L247 L254 L255 I265 F275 I277 V283 I305 I314 F327 | L247-L251 HydrophobicContact CD1-CD1 4.15Å; L247-L251 HydrophobicContact CD1-CD2 4.19Å; L247-L251 HydrophobicContact CD1-CG 3.9Å; L247-L251 HydrophobicContact CD2-CD1 4.5Å; L247-L251 HydrophobicContact CG-CD1 3.98Å; L247-L251 HydrophobicContact CG-CG 4.16Å; L247-L251 VanDerWaalsContact O-CG 3.32Å; L247-L251 WeakPolarHBondContact O-CG 3.27Å; L247-L251 PolarHBondContact O-N 3.1Å; L251-L254 PolarHBondContact O-N 3.47Å; L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 WeakPolarHBondContact O-CD1 3.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.48Å; L251-L255 PolarHBondContact O-N 3.36Å; L251-L255 VanDerWaalsContact O-N 3.11Å; L251-I265 HydrophobicContact CB-CD1 4.29Å; L251-I265 HydrophobicContact CD2-CD1 3.83Å; L251-F275 HydrophobicContact CD1-CE2 4.46Å; L251-F275 HydrophobicContact CD1-CZ 4.29Å; L251-I277 HydrophobicContact CD2-CD1 4.39Å; L251-V283 HydrophobicContact CD2-CG1 3.74Å; L251-I305 HydrophobicContact CD1-CD1 4.08Å; L251-I305 HydrophobicContact CD1-CG1 4.31Å; L251-I314 HydrophobicContact CD1-CD1 4.4Å; L251-F327 HydrophobicContact CB-CZ 4.45Å |
| 252 | R | 93.2 | Very high | 82.7 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 173.6 | 179.9 | 178.5 | 178 | -111.3 | -0.8 | 111.7 | W248 Q249 F250 L254 L255 L256 F327 V331 | W248-R252 WeakPolarHBondContact O-CB 3.31Å; W248-R252 PolarHBondContact O-N 2.99Å; Q249-R252 WeakPolarHBondContact O-CB 3.3Å; Q249-R252 PolarHBondContact O-N 3.4Å; F250-R252 VanDerWaalsContact C-N 3.27Å; F250-R252 PolarHBondContact O-N 3.08Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 3.24Å; R252-L255 CarbonylContact O-C 3.43Å; R252-L255 WeakPolarHBondContact O-CB 3.43Å; R252-L255 PolarHBondContact O-N 2.86Å; R252-L255 VanDerWaalsContact O-N 3.17Å; R252-L256 HydrophobicContact CG-CD1 4.3Å; R252-L256 WeakPolarHBondContact O-CG 3.28Å; R252-L256 PolarHBondContact O-N 2.99Å; R252-F327 HydrophobicContact CB-CZ 4.24Å; R252-V331 HydrophobicContact CG-CG1 3.99Å; R252-V331 HydrophobicContact CG-CG2 3.98Å |
| 253 | E | 91.5 | Very high | 84.7 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 178.8 | -164.3 | -169.4 | 147.8 | 0 | 0 | 112.1 | Q249 F250 L255 L256 K257 | Q249-E253 WeakPolarHBondContact O-CB 3.32Å; Q249-E253 PolarHBondContact O-N 3.21Å; F250-E253 WeakPolarHBondContact O-CB 3.46Å; F250-E253 PolarHBondContact O-N 3.12Å; F250-E253 VanDerWaalsContact O-N 3.08Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.44Å; E253-L256 PolarHBondContact O-N 3.42Å; E253-K257 IonicContact OE1-NZ 3.02Å; E253-K257 PolarHBondContact OE1-NZ 2.84Å |
| 254 | L | 91.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.7 | -60 | -172.3 | 0 | 0 | 0 | 111.3 | F250 L251 R252 L256 K257 Y261 I265 V283 L286 | F250-L254 HydrophobicContact CD1-CD1 4.43Å; F250-L254 HydrophobicContact CE1-CD1 3.65Å; F250-L254 HydrophobicContact CE1-CG 4.2Å; F250-L254 HydrophobicContact CE2-CD1 4.27Å; F250-L254 HydrophobicContact CE2-CD2 3.89Å; F250-L254 HydrophobicContact CE2-CG 4.13Å; F250-L254 HydrophobicContact CZ-CD1 3.56Å; F250-L254 HydrophobicContact CZ-CD2 3.98Å; F250-L254 HydrophobicContact CZ-CG 3.92Å; F250-L254 WeakPolarHBondContact O-CG 3.47Å; F250-L254 PolarHBondContact O-N 3.14Å; L251-L254 PolarHBondContact O-N 3.47Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 3.24Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 PolarHBondContact O-N 2.92Å; L254-K257 CarbonylContact O-C 3.53Å; L254-K257 PolarHBondContact O-N 3.44Å; L254-K257 VanDerWaalsContact O-N 3.08Å; L254-Y261 HydrophobicContact CB-CD2 4.09Å; L254-Y261 HydrophobicContact CB-CG 4.15Å; L254-Y261 HydrophobicContact CD2-CD1 3.83Å; L254-Y261 HydrophobicContact CD2-CD2 3.71Å; L254-Y261 HydrophobicContact CD2-CE1 3.79Å; L254-Y261 HydrophobicContact CD2-CE2 3.67Å; L254-Y261 HydrophobicContact CD2-CG 3.79Å; L254-Y261 HydrophobicContact CG-CG 4.46Å; L254-I265 HydrophobicContact CB-CG2 3.51Å; L254-I265 HydrophobicContact CD1-CG2 3.86Å; L254-I265 HydrophobicContact CG-CG2 4.37Å; L254-V283 HydrophobicContact CD1-CG1 4.35Å; L254-V283 HydrophobicContact CD1-CG2 4.47Å; L254-L286 HydrophobicContact CD1-CD1 4.24Å; L254-L286 HydrophobicContact CD2-CD1 4.32Å |
| 255 | L | 93.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.9 | -20.6 | 179.3 | -79.1 | 167.8 | 0 | 0 | 0 | 114.4 | L251 R252 E253 K257 I265 W267 F275 F327 | L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 WeakPolarHBondContact O-CD1 3.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.48Å; L251-L255 PolarHBondContact O-N 3.36Å; L251-L255 VanDerWaalsContact O-N 3.11Å; R252-L255 CarbonylContact O-C 3.43Å; R252-L255 WeakPolarHBondContact O-CB 3.43Å; R252-L255 PolarHBondContact O-N 2.86Å; R252-L255 VanDerWaalsContact O-N 3.17Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.44Å; L255-K257 VanDerWaalsContact C-N 3.3Å; L255-I265 HydrophobicContact CD1-CD1 4.06Å; L255-I265 HydrophobicContact CD1-CG1 4.43Å; L255-I265 HydrophobicContact CD2-CD1 4.27Å; L255-I265 HydrophobicContact CD2-CG1 3.78Å; L255-I265 HydrophobicContact CG-CD1 3.85Å; L255-I265 HydrophobicContact CG-CG1 3.92Å; L255-W267 HydrophobicContact CB-CH2 4.48Å; L255-W267 HydrophobicContact CB-CZ2 3.64Å; L255-W267 HydrophobicContact CD1-CD2 4.46Å; L255-W267 HydrophobicContact CD1-CE3 4.45Å; L255-W267 HydrophobicContact CD1-CH2 3.8Å; L255-W267 HydrophobicContact CD1-CZ2 3.79Å; L255-W267 HydrophobicContact CD1-CZ3 4.12Å; L255-W267 HydrophobicContact CD2-CD2 3.99Å; L255-W267 HydrophobicContact CD2-CG 4.12Å; L255-W267 HydrophobicContact CD2-CZ2 4.47Å; L255-W267 HydrophobicContact CG-CZ2 4.18Å; L255-W267 PolarHBondContact O-NE1 2.89Å; L255-F275 HydrophobicContact CD1-CB 3.72Å; L255-F275 HydrophobicContact CD1-CD1 3.97Å; L255-F275 HydrophobicContact CD1-CD2 3.88Å; L255-F275 HydrophobicContact CD1-CE2 4.45Å; L255-F275 HydrophobicContact CD1-CG 3.59Å; L255-F275 HydrophobicContact CD2-CB 3.83Å; L255-F275 HydrophobicContact CD2-CG 4.48Å; L255-F275 HydrophobicContact CG-CB 4.43Å; L255-F327 HydrophobicContact CD1-CE2 3.88Å |
| 256 | L | 88.7 | Confident | 88.8 | Confident | 86 Ų | 86 | 48.8 Ų | 48.8 | 45% | 0.45 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13 | 173 | -70.4 | 173 | 0 | 0 | 0 | 112.6 | R252 E253 L254 P258 V331 | R252-L256 HydrophobicContact CG-CD1 4.3Å; R252-L256 WeakPolarHBondContact O-CG 3.28Å; R252-L256 PolarHBondContact O-N 2.99Å; E253-L256 PolarHBondContact O-N 3.42Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 PolarHBondContact O-N 2.92Å; L256-P258 VanDerWaalsContact O-CD 3.31Å; L256-P258 WeakPolarHBondContact O-CD 3.32Å; L256-V331 HydrophobicContact CD2-CG1 4.22Å |
| 257 | K | 85.1 | Confident | 89.1 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 39% | 0.391 | 22% | 0.218 | S | C | . | . | trans | -120.8 | 59.8 | 179.5 | -63.1 | 167.4 | -177.5 | 169.1 | 0 | 109.8 | E253 L254 L255 H259 N260 Y261 | E253-K257 IonicContact OE1-NZ 3.02Å; E253-K257 PolarHBondContact OE1-NZ 2.84Å; L254-K257 CarbonylContact O-C 3.53Å; L254-K257 PolarHBondContact O-N 3.44Å; L254-K257 VanDerWaalsContact O-N 3.08Å; L255-K257 VanDerWaalsContact C-N 3.3Å; K257-H259 PolarHBondContact O-N 3.02Å; K257-H259 VanDerWaalsContact O-N 3.16Å; K257-N260 PolarHBondContact O-N 3.44Å; K257-N260 VanDerWaalsContact O-N 3.08Å; K257-Y261 HydrophobicContact CB-CD2 3.79Å; K257-Y261 HydrophobicContact CB-CE2 3.96Å; K257-Y261 HydrophobicContact CD-CE2 4.01Å; K257-Y261 WeakPolarHBondContact O-CD2 3.32Å; K257-Y261 PolarHBondContact O-N 3.22Å; K257-Y261 VanDerWaalsContact O-N 3.08Å | ||
| 258 | P | 78.8 | Confident | 89.1 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -23.9 | -173.7 | 27.7 | -36.2 | 0 | 0 | 0 | 113.1 | L256 G262 | L256-P258 VanDerWaalsContact O-CD 3.31Å; L256-P258 WeakPolarHBondContact O-CD 3.32Å; P258-G262 WeakPolarHBondContact O-CA 3.5Å; P258-G262 PolarHBondContact O-N 2.77Å |
| 259 | H | 71.3 | Confident | 89.1 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.1 | -163.6 | -97.2 | 0 | 0 | 0 | 112.6 | E120 K257 | E120-H259 VanDerWaalsContact C-CE1 3.49Å; E120-H259 VanDerWaalsContact CA-NE2 3.29Å; E120-H259 WeakPolarHBondContact CA-NE2 3.4Å; E120-H259 WeakPolarHBondContact CB-CD2 3.37Å; E120-H259 WeakPolarHBondContact CB-NE2 3.4Å; E120-H259 WeakPolarHBondContact CG-CD2 3.2Å; E120-H259 PolarHBondContact O-CE1 3.31Å; E120-H259 PolarHBondContact O-NE2 3.32Å; E120-H259 IonicContact OE1-CD2 3.21Å; E120-H259 IonicContact OE2-CD2 2.77Å; E120-H259 PolarHBondContact OE2-CD2 3.06Å; K257-H259 PolarHBondContact O-N 3.02Å; K257-H259 VanDerWaalsContact O-N 3.16Å |
| 260 | N | 70 | Confident | 89 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -84.5 | -32.4 | -178.5 | -63.5 | 0.2 | 0 | 0 | 0 | 112.2 | K257 H263 | K257-N260 PolarHBondContact O-N 3.44Å; K257-N260 VanDerWaalsContact O-N 3.08Å; N260-H263 PolarHBondContact O-CE1 3.49Å; N260-H263 PolarHBondContact O-ND1 2.71Å |
| 261 | Y | 85.1 | Confident | 88.9 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -121.1 | 1.8 | -170.8 | -54.8 | -67.9 | 0 | 0 | 0 | 114.6 | L254 K257 H263 C264 I265 L286 | L254-Y261 HydrophobicContact CB-CD2 4.09Å; L254-Y261 HydrophobicContact CB-CG 4.15Å; L254-Y261 HydrophobicContact CD2-CD1 3.83Å; L254-Y261 HydrophobicContact CD2-CD2 3.71Å; L254-Y261 HydrophobicContact CD2-CE1 3.79Å; L254-Y261 HydrophobicContact CD2-CE2 3.67Å; L254-Y261 HydrophobicContact CD2-CG 3.79Å; L254-Y261 HydrophobicContact CG-CG 4.46Å; K257-Y261 HydrophobicContact CB-CD2 3.79Å; K257-Y261 HydrophobicContact CB-CE2 3.96Å; K257-Y261 HydrophobicContact CD-CE2 4.01Å; K257-Y261 WeakPolarHBondContact O-CD2 3.32Å; K257-Y261 PolarHBondContact O-N 3.22Å; K257-Y261 VanDerWaalsContact O-N 3.08Å; Y261-H263 PolarHBondContact O-N 2.88Å; Y261-H263 VanDerWaalsContact O-N 3.1Å; Y261-C264 PolarHBondContact O-N 3.2Å; Y261-C264 PolarHBondContact O-SG 3.4Å; Y261-I265 CarbonylContact C-O 3.54Å; Y261-I265 PolarHBondContact O-N 3.37Å; Y261-L286 HydrophobicContact CD1-CD1 3.89Å; Y261-L286 HydrophobicContact CE1-CD1 3.88Å |
| 262 | G | 84.4 | Confident | 88.8 | Confident | 21 Ų | 21 | 67 Ų | 67 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P258 C264 I265 | P258-G262 WeakPolarHBondContact O-CA 3.5Å; P258-G262 PolarHBondContact O-N 2.77Å; G262-C264 VanDerWaalsContact C-N 3.27Å; G262-C264 PolarHBondContact O-N 2.88Å; G262-I265 WeakPolarHBondContact CA-O 3.34Å |
| 263 | H | 85.6 | Confident | 88.9 | Confident | 113 Ų | 113 | 63.3 Ų | 63.3 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -23 | 174.7 | 65.7 | -90.3 | 0 | 0 | 0 | 113.2 | N260 Y261 E278 Y282 | N260-H263 PolarHBondContact O-CE1 3.49Å; N260-H263 PolarHBondContact O-ND1 2.71Å; Y261-H263 PolarHBondContact O-N 2.88Å; Y261-H263 VanDerWaalsContact O-N 3.1Å; H263-E278 WeakPolarHBondContact O-CB 3.39Å; H263-Y282 AromaticContact NE2-CD1 3.68Å; H263-Y282 AromaticContact NE2-CE1 3.31Å; H263-Y282 VanDerWaalsContact NE2-CE1 3.31Å; H263-Y282 WeakPolarHBondContact NE2-CE1 3.46Å |
| 264 | C | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -27 | -177.1 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | Y261 G262 I277 E278 D279 Y282 V283 | Y261-C264 PolarHBondContact O-N 3.2Å; Y261-C264 PolarHBondContact O-SG 3.4Å; G262-C264 VanDerWaalsContact C-N 3.27Å; G262-C264 PolarHBondContact O-N 2.88Å; C264-I277 CarbonylContact O-C 3.59Å; C264-E278 PolarHBondContact O-N 2.89Å; C264-D279 HydrophobicContact CB-CB 3.85Å; C264-D279 PolarHBondContact O-N 3.41Å; C264-D279 VanDerWaalsContact O-N 3.16Å; C264-Y282 HydrophobicContact CB-CD1 3.54Å; C264-Y282 HydrophobicContact CB-CE1 4.33Å; C264-Y282 HydrophobicContact CB-CG 4.4Å; C264-Y282 VanDerWaalsContact SG-CD1 3.56Å; C264-V283 HydrophobicContact CB-CG2 3.9Å; C264-V283 WeakPolarHBondContact O-CG2 3.32Å |
| 265 | I | 96.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 134.2 | 174.7 | -171.2 | 175.1 | 0 | 0 | 0 | 110.6 | L251 L254 L255 Y261 G262 F275 K276 I277 V283 | L251-I265 HydrophobicContact CB-CD1 4.29Å; L251-I265 HydrophobicContact CD2-CD1 3.83Å; L254-I265 HydrophobicContact CB-CG2 3.51Å; L254-I265 HydrophobicContact CD1-CG2 3.86Å; L254-I265 HydrophobicContact CG-CG2 4.37Å; L255-I265 HydrophobicContact CD1-CD1 4.06Å; L255-I265 HydrophobicContact CD1-CG1 4.43Å; L255-I265 HydrophobicContact CD2-CD1 4.27Å; L255-I265 HydrophobicContact CD2-CG1 3.78Å; L255-I265 HydrophobicContact CG-CD1 3.85Å; L255-I265 HydrophobicContact CG-CG1 3.92Å; Y261-I265 CarbonylContact C-O 3.54Å; Y261-I265 PolarHBondContact O-N 3.37Å; G262-I265 WeakPolarHBondContact CA-O 3.34Å; I265-F275 HydrophobicContact CD1-CD2 3.91Å; I265-F275 HydrophobicContact CD1-CE2 4.03Å; I265-F275 HydrophobicContact CG1-CD2 4.08Å; I265-K276 WeakPolarHBondContact CA-O 3.17Å; I265-I277 HydrophobicContact CD1-CG1 4.04Å; I265-I277 HydrophobicContact CG1-CG1 4.11Å; I265-V283 HydrophobicContact CB-CG2 4.04Å; I265-V283 HydrophobicContact CG2-CG2 4.36Å |
| 266 | R | 95.4 | Very high | 89.6 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 157.4 | -177.5 | 65.5 | -176.2 | -176.7 | 91.8 | 1.7 | 113 | L268 F275 K276 E278 | R266-L268 VanDerWaalsContact NH1-CD2 3.32Å; R266-F275 CarbonylContact O-C 3.51Å; R266-F275 VanDerWaalsContact O-CA 3.3Å; R266-F275 WeakPolarHBondContact O-CA 3.44Å; R266-F275 WeakPolarHBondContact O-CB 3.42Å; R266-K276 PolarHBondContact N-O 3.39Å; R266-K276 PolarHBondContact O-N 2.82Å; R266-E278 HydrophobicContact CG-CG 4.35Å; R266-E278 IonicContact CZ-OE1 3.47Å; R266-E278 IonicContact NE-OE1 3.62Å; R266-E278 PolarHBondContact NE-OE1 3.36Å; R266-E278 IonicContact NH2-OE1 2.79Å; R266-E278 PolarHBondContact NH2-OE1 3.42Å |
| 267 | W | 96.8 | Very high | 90 | Very high | 40 Ų | 40 | 59.6 Ų | 59.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.1 | 168.9 | -64 | 108.4 | 0 | 0 | 0 | 110.3 | L255 K270 F275 F327 V331 | L255-W267 HydrophobicContact CB-CH2 4.48Å; L255-W267 HydrophobicContact CB-CZ2 3.64Å; L255-W267 HydrophobicContact CD1-CD2 4.46Å; L255-W267 HydrophobicContact CD1-CE3 4.45Å; L255-W267 HydrophobicContact CD1-CH2 3.8Å; L255-W267 HydrophobicContact CD1-CZ2 3.79Å; L255-W267 HydrophobicContact CD1-CZ3 4.12Å; L255-W267 HydrophobicContact CD2-CD2 3.99Å; L255-W267 HydrophobicContact CD2-CG 4.12Å; L255-W267 HydrophobicContact CD2-CZ2 4.47Å; L255-W267 HydrophobicContact CG-CZ2 4.18Å; L255-W267 PolarHBondContact O-NE1 2.89Å; W267-K270 HydrophobicContact CB-CB 4.29Å; W267-K270 HydrophobicContact CD2-CB 4.27Å; W267-K270 HydrophobicContact CD2-CG 4.22Å; W267-K270 HydrophobicContact CG-CB 4.09Å; W267-K270 HydrophobicContact CG-CG 4.29Å; W267-F275 HydrophobicContact CD2-CB 4.49Å; W267-F275 HydrophobicContact CE3-CB 3.8Å; W267-F275 HydrophobicContact CZ3-CB 4.03Å; W267-F275 HydrophobicContact CZ3-CD1 4.19Å; W267-F327 AromaticContact CH2-CD2 3.74Å; W267-F327 HydrophobicContact CH2-CD2 3.74Å; W267-F327 AromaticContact CH2-CE2 3.98Å; W267-F327 HydrophobicContact CH2-CE2 3.98Å; W267-F327 AromaticContact CZ3-CD2 3.99Å; W267-F327 HydrophobicContact CZ3-CD2 3.99Å; W267-F327 HydrophobicContact CZ3-CE2 4.44Å; W267-V331 HydrophobicContact CH2-CB 4.24Å; W267-V331 HydrophobicContact CH2-CG2 4.27Å; W267-V331 HydrophobicContact CZ2-CB 4.31Å |
| 268 | L | 95.3 | Very high | 90.5 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -36.2 | 161.8 | -61.4 | -171 | 0 | 0 | 0 | 110.4 | R266 I274 K276 V324 | R266-L268 VanDerWaalsContact NH1-CD2 3.32Å; L268-I274 HydrophobicContact CB-CG2 4.15Å; L268-I274 HydrophobicContact CD1-CG2 4.41Å; L268-I274 PolarHBondContact N-O 3.32Å; L268-K276 HydrophobicContact CD1-CB 3.95Å; L268-K276 HydrophobicContact CD1-CD 4.48Å; L268-K276 HydrophobicContact CD2-CB 3.93Å; L268-K276 HydrophobicContact CD2-CD 4.47Å; L268-K276 HydrophobicContact CG-CB 3.83Å; L268-V324 HydrophobicContact CD1-CG1 3.73Å; L268-V324 HydrophobicContact CD1-CG2 4.04Å |
| 269 | N | 93.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 104.2 | 172.2 | -174.5 | -46.9 | 0 | 0 | 0 | 108.6 | E271 K272 G273 I274 | N269-E271 PolarHBondContact OD1-N 3.45Å; N269-K272 HydrophobicContact CB-CB 4.31Å; N269-K272 WeakPolarHBondContact OD1-CB 3.35Å; N269-K272 PolarHBondContact OD1-N 3.18Å; N269-G273 PolarHBondContact O-N 3.14Å; N269-G273 VanDerWaalsContact O-N 3.16Å; N269-I274 HydrophobicContact CB-CB 4.21Å; N269-I274 HydrophobicContact CB-CD1 4.43Å; N269-I274 PolarHBondContact N-O 3.33Å; N269-I274 PolarHBondContact O-N 2.82Å |
| 270 | K | 92.5 | Very high | 92.4 | Very high | 122 Ų | 122 | 57.1 Ų | 57.1 | 53% | 0.53 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -43.2 | -176.1 | -172.6 | -179.9 | 176.5 | -174.8 | 0 | 111.9 | W267 K272 G273 | W267-K270 HydrophobicContact CB-CB 4.29Å; W267-K270 HydrophobicContact CD2-CB 4.27Å; W267-K270 HydrophobicContact CD2-CG 4.22Å; W267-K270 HydrophobicContact CG-CB 4.09Å; W267-K270 HydrophobicContact CG-CG 4.29Å; K270-K272 VanDerWaalsContact C-N 3.29Å; K270-K272 PolarHBondContact O-N 3.46Å; K270-G273 PolarHBondContact O-N 2.67Å |
| 271 | E | 91.6 | Very high | 93.5 | Very high | 169 Ų | 169 | 56 Ų | 56 | 79% | 0.79 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -38.3 | -179.4 | -59.7 | -178.2 | 172.9 | 0 | 0 | 112.6 | N269 G273 P330 | N269-E271 PolarHBondContact OD1-N 3.45Å; E271-G273 VanDerWaalsContact C-N 3.32Å; E271-P330 WeakPolarHBondContact O-CB 3.34Å |
| 272 | K | 92.7 | Very high | 93.6 | Very high | 125 Ų | 125 | 57.2 Ų | 57.2 | 54% | 0.543 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -1.5 | 175.9 | -64.4 | -174.6 | 178.8 | -175.5 | 0 | 113.2 | N269 K270 I274 Q326 | N269-K272 HydrophobicContact CB-CB 4.31Å; N269-K272 WeakPolarHBondContact OD1-CB 3.35Å; N269-K272 PolarHBondContact OD1-N 3.18Å; K270-K272 VanDerWaalsContact C-N 3.29Å; K270-K272 PolarHBondContact O-N 3.46Å; K272-I274 VanDerWaalsContact C-N 3.26Å; K272-I274 HydrophobicContact CB-CD1 3.88Å; K272-I274 HydrophobicContact CB-CG1 3.86Å; K272-I274 HydrophobicContact CD-CD1 4.24Å; K272-I274 PolarHBondContact O-N 2.9Å; K272-Q326 WeakPolarHBondContact O-CG 3.25Å; K272-Q326 PolarHBondContact O-NE2 3.12Å |
| 273 | G | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 22.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N269 K270 E271 Q326 F327 | N269-G273 PolarHBondContact O-N 3.14Å; N269-G273 VanDerWaalsContact O-N 3.16Å; K270-G273 PolarHBondContact O-N 2.67Å; E271-G273 VanDerWaalsContact C-N 3.32Å; G273-Q326 CarbonylContact O-C 3.58Å; G273-Q326 VanDerWaalsContact O-CA 3.31Å; G273-Q326 WeakPolarHBondContact O-CA 3.5Å; G273-F327 PolarHBondContact O-N 3.11Å |
| 274 | I | 96.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 16% | 0.159 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.2 | -178.2 | -54.2 | 173.9 | 0 | 0 | 0 | 109.7 | L268 N269 K272 V324 Y325 Q326 | L268-I274 HydrophobicContact CB-CG2 4.15Å; L268-I274 HydrophobicContact CD1-CG2 4.41Å; L268-I274 PolarHBondContact N-O 3.32Å; N269-I274 HydrophobicContact CB-CB 4.21Å; N269-I274 HydrophobicContact CB-CD1 4.43Å; N269-I274 PolarHBondContact N-O 3.33Å; N269-I274 PolarHBondContact O-N 2.82Å; K272-I274 VanDerWaalsContact C-N 3.26Å; K272-I274 HydrophobicContact CB-CD1 3.88Å; K272-I274 HydrophobicContact CB-CG1 3.86Å; K272-I274 HydrophobicContact CD-CD1 4.24Å; K272-I274 PolarHBondContact O-N 2.9Å; I274-V324 HydrophobicContact CG2-CG1 3.75Å; I274-Y325 WeakPolarHBondContact CA-O 3.32Å; I274-Q326 HydrophobicContact CG1-CB 4.17Å; I274-Q326 HydrophobicContact CG1-CG 3.85Å |
| 275 | F | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 159.7 | 179 | 69.4 | -87.1 | 0 | 0 | 0 | 111.8 | L251 L255 I265 R266 W267 I277 I314 V324 Y325 F327 | L251-F275 HydrophobicContact CD1-CE2 4.46Å; L251-F275 HydrophobicContact CD1-CZ 4.29Å; L255-F275 HydrophobicContact CD1-CB 3.72Å; L255-F275 HydrophobicContact CD1-CD1 3.97Å; L255-F275 HydrophobicContact CD1-CD2 3.88Å; L255-F275 HydrophobicContact CD1-CE2 4.45Å; L255-F275 HydrophobicContact CD1-CG 3.59Å; L255-F275 HydrophobicContact CD2-CB 3.83Å; L255-F275 HydrophobicContact CD2-CG 4.48Å; L255-F275 HydrophobicContact CG-CB 4.43Å; I265-F275 HydrophobicContact CD1-CD2 3.91Å; I265-F275 HydrophobicContact CD1-CE2 4.03Å; I265-F275 HydrophobicContact CG1-CD2 4.08Å; R266-F275 CarbonylContact O-C 3.51Å; R266-F275 VanDerWaalsContact O-CA 3.3Å; R266-F275 WeakPolarHBondContact O-CA 3.44Å; R266-F275 WeakPolarHBondContact O-CB 3.42Å; W267-F275 HydrophobicContact CD2-CB 4.49Å; W267-F275 HydrophobicContact CE3-CB 3.8Å; W267-F275 HydrophobicContact CZ3-CB 4.03Å; W267-F275 HydrophobicContact CZ3-CD1 4.19Å; F275-I277 HydrophobicContact CE2-CG1 4.26Å; F275-I314 HydrophobicContact CE1-CD1 4.44Å; F275-I314 HydrophobicContact CZ-CD1 4.15Å; F275-V324 WeakPolarHBondContact O-CA 3.48Å; F275-V324 WeakPolarHBondContact O-CG1 3.34Å; F275-Y325 AromaticContact CE2-CD2 3.88Å; F275-Y325 HydrophobicContact CE2-CD2 3.88Å; F275-Y325 HydrophobicContact CE2-CG 4.31Å; F275-Y325 VanDerWaalsContact CZ-CB 3.47Å; F275-Y325 HydrophobicContact CZ-CD2 4.17Å; F275-Y325 HydrophobicContact CZ-CG 4.15Å; F275-Y325 PolarHBondContact N-O 2.6Å; F275-Y325 PolarHBondContact O-N 3.31Å; F275-Y325 VanDerWaalsContact O-O 3.12Å; F275-F327 AromaticContact CD1-CD2 3.65Å; F275-F327 HydrophobicContact CD1-CD2 3.65Å; F275-F327 AromaticContact CD1-CE2 3.63Å; F275-F327 HydrophobicContact CD1-CE2 3.63Å; F275-F327 AromaticContact CE1-CD2 3.48Å; F275-F327 HydrophobicContact CE1-CD2 3.48Å; F275-F327 VanDerWaalsContact CE1-CD2 3.48Å; F275-F327 AromaticContact CE1-CE2 3.29Å; F275-F327 HydrophobicContact CE1-CE2 3.29Å; F275-F327 HydrophobicContact CE1-CG 4.28Å; F275-F327 AromaticContact CE1-CZ 3.95Å; F275-F327 HydrophobicContact CE1-CZ 3.95Å; F275-F327 HydrophobicContact CZ-CE2 4.02Å; F275-F327 HydrophobicContact CZ-CZ 4.34Å |
| 276 | K | 97.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 23% | 0.226 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.6 | 176.3 | -176.6 | 172.7 | 176.1 | -142.5 | 0 | 110.2 | I265 R266 L268 E278 L323 V324 | I265-K276 WeakPolarHBondContact CA-O 3.17Å; R266-K276 PolarHBondContact N-O 3.39Å; R266-K276 PolarHBondContact O-N 2.82Å; L268-K276 HydrophobicContact CD1-CB 3.95Å; L268-K276 HydrophobicContact CD1-CD 4.48Å; L268-K276 HydrophobicContact CD2-CB 3.93Å; L268-K276 HydrophobicContact CD2-CD 4.47Å; L268-K276 HydrophobicContact CG-CB 3.83Å; K276-E278 WeakPolarHBondContact CD-OE1 3.38Å; K276-E278 VanDerWaalsContact CE-OE2 3.3Å; K276-E278 WeakPolarHBondContact CE-OE2 3.37Å; K276-E278 IonicContact NZ-OE1 3.26Å; K276-E278 PolarHBondContact NZ-OE1 2.99Å; K276-E278 IonicContact NZ-OE2 2.7Å; K276-E278 PolarHBondContact NZ-OE2 3.39Å; K276-L323 WeakPolarHBondContact CA-O 3.32Å; K276-V324 HydrophobicContact CB-CG2 4.13Å; K276-V324 HydrophobicContact CD-CG2 3.95Å; K276-V324 HydrophobicContact CG-CG2 3.9Å |
| 277 | I | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 112 | 165.8 | -62.7 | 175.5 | 0 | 0 | 0 | 106.6 | L251 C264 I265 F275 V283 I305 L323 Y325 | L251-I277 HydrophobicContact CD2-CD1 4.39Å; C264-I277 CarbonylContact O-C 3.59Å; I265-I277 HydrophobicContact CD1-CG1 4.04Å; I265-I277 HydrophobicContact CG1-CG1 4.11Å; F275-I277 HydrophobicContact CE2-CG1 4.26Å; I277-V283 HydrophobicContact CD1-CG1 4.37Å; I277-V283 HydrophobicContact CG2-CB 4.14Å; I277-V283 HydrophobicContact CG2-CG2 3.94Å; I277-I305 HydrophobicContact CD1-CD1 4.26Å; I277-L323 HydrophobicContact CB-CB 4.28Å; I277-L323 PolarHBondContact N-O 3.11Å; I277-L323 WeakPolarHBondContact O-CB 3.31Å; I277-L323 VanDerWaalsContact O-CD1 3.26Å; I277-L323 WeakPolarHBondContact O-CD1 3.44Å; I277-Y325 HydrophobicContact CD1-CD2 4.27Å; I277-Y325 HydrophobicContact CD1-CE2 3.93Å; I277-Y325 HydrophobicContact CG1-CE2 4.42Å |
| 278 | E | 95.4 | Very high | 92.7 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -83 | -46.5 | 179.3 | -65.1 | -68.1 | 177.7 | 0 | 0 | 110.6 | H263 C264 R266 K276 | H263-E278 WeakPolarHBondContact O-CB 3.39Å; C264-E278 PolarHBondContact O-N 2.89Å; R266-E278 HydrophobicContact CG-CG 4.35Å; R266-E278 IonicContact CZ-OE1 3.47Å; R266-E278 IonicContact NE-OE1 3.62Å; R266-E278 PolarHBondContact NE-OE1 3.36Å; R266-E278 IonicContact NH2-OE1 2.79Å; R266-E278 PolarHBondContact NH2-OE1 3.42Å; K276-E278 WeakPolarHBondContact CD-OE1 3.38Å; K276-E278 VanDerWaalsContact CE-OE2 3.3Å; K276-E278 WeakPolarHBondContact CE-OE2 3.37Å; K276-E278 IonicContact NZ-OE1 3.26Å; K276-E278 PolarHBondContact NZ-OE1 2.99Å; K276-E278 IonicContact NZ-OE2 2.7Å; K276-E278 PolarHBondContact NZ-OE2 3.39Å |
| 279 | D | 94.3 | Very high | 91.9 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | trans | -112.8 | 95.3 | 174.6 | -172.1 | -20.2 | 0 | 0 | 0 | 110 | C264 A281 Y282 V283 | C264-D279 HydrophobicContact CB-CB 3.85Å; C264-D279 PolarHBondContact O-N 3.41Å; C264-D279 VanDerWaalsContact O-N 3.16Å; D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 3.1Å; D279-A281 WeakPolarHBondContact OD1-CB 3.08Å; D279-A281 PolarHBondContact OD1-N 2.9Å; D279-Y282 PolarHBondContact OD1-N 3.48Å; D279-Y282 WeakPolarHBondContact OD2-CB 3.18Å; D279-V283 WeakPolarHBondContact O-CG2 3.41Å; D279-V283 PolarHBondContact O-N 2.93Å | ||
| 280 | S | 95.9 | Very high | 91.2 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.9 | -31.7 | -178.7 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | S284 | S280-S284 VanDerWaalsContact O-CB 3.25Å; S280-S284 WeakPolarHBondContact O-CB 3.41Å; S280-S284 PolarHBondContact O-N 3.32Å; S280-S284 VanDerWaalsContact O-N 3.08Å; S280-S284 PolarHBondContact O-OG 2.95Å |
| 281 | A | 92.5 | Very high | 90.6 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.1 | -49.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | D279 S284 R285 | D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 3.1Å; D279-A281 WeakPolarHBondContact OD1-CB 3.08Å; D279-A281 PolarHBondContact OD1-N 2.9Å; A281-S284 PolarHBondContact O-N 3.34Å; A281-S284 PolarHBondContact O-OG 3.3Å; A281-R285 WeakPolarHBondContact O-CB 3.27Å; A281-R285 PolarHBondContact O-N 3.32Å |
| 282 | Y | 87.5 | Confident | 89.8 | Confident | 78 Ų | 78 | 53 Ų | 53 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | -179.9 | -170.8 | -108.4 | 0 | 0 | 0 | 112.5 | H263 C264 D279 S284 R285 L286 | H263-Y282 AromaticContact NE2-CD1 3.68Å; H263-Y282 AromaticContact NE2-CE1 3.31Å; H263-Y282 VanDerWaalsContact NE2-CE1 3.31Å; H263-Y282 WeakPolarHBondContact NE2-CE1 3.46Å; C264-Y282 HydrophobicContact CB-CD1 3.54Å; C264-Y282 HydrophobicContact CB-CE1 4.33Å; C264-Y282 HydrophobicContact CB-CG 4.4Å; C264-Y282 VanDerWaalsContact SG-CD1 3.56Å; D279-Y282 PolarHBondContact OD1-N 3.48Å; D279-Y282 WeakPolarHBondContact OD2-CB 3.18Å; Y282-S284 VanDerWaalsContact C-N 3.29Å; Y282-S284 PolarHBondContact O-N 3.1Å; Y282-R285 WeakPolarHBondContact O-CB 3.38Å; Y282-R285 PolarHBondContact O-N 3.48Å; Y282-R285 VanDerWaalsContact O-N 3.15Å; Y282-L286 HydrophobicContact CD1-CD1 3.82Å; Y282-L286 HydrophobicContact CD1-CG 4.22Å; Y282-L286 HydrophobicContact CE1-CD1 3.53Å; Y282-L286 HydrophobicContact CE1-CD2 4.36Å; Y282-L286 HydrophobicContact CE1-CG 4.01Å; Y282-L286 WeakPolarHBondContact O-CG 3.38Å; Y282-L286 PolarHBondContact O-N 3.09Å |
| 283 | V | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L251 L254 C264 I265 I277 D279 L286 W287 L301 | L251-V283 HydrophobicContact CD2-CG1 3.74Å; L254-V283 HydrophobicContact CD1-CG1 4.35Å; L254-V283 HydrophobicContact CD1-CG2 4.47Å; C264-V283 HydrophobicContact CB-CG2 3.9Å; C264-V283 WeakPolarHBondContact O-CG2 3.32Å; I265-V283 HydrophobicContact CB-CG2 4.04Å; I265-V283 HydrophobicContact CG2-CG2 4.36Å; I277-V283 HydrophobicContact CD1-CG1 4.37Å; I277-V283 HydrophobicContact CG2-CB 4.14Å; I277-V283 HydrophobicContact CG2-CG2 3.94Å; D279-V283 WeakPolarHBondContact O-CG2 3.41Å; D279-V283 PolarHBondContact O-N 2.93Å; V283-L286 PolarHBondContact O-N 3.27Å; V283-W287 WeakPolarHBondContact O-CB 3.35Å; V283-W287 PolarHBondContact O-N 3.26Å; V283-L301 HydrophobicContact CG1-CD1 4.27Å |
| 284 | S | 91.9 | Very high | 88 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 177.3 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | S280 A281 Y282 W287 G288 M296 Y298 | S280-S284 VanDerWaalsContact O-CB 3.25Å; S280-S284 WeakPolarHBondContact O-CB 3.41Å; S280-S284 PolarHBondContact O-N 3.32Å; S280-S284 VanDerWaalsContact O-N 3.08Å; S280-S284 PolarHBondContact O-OG 2.95Å; A281-S284 PolarHBondContact O-N 3.34Å; A281-S284 PolarHBondContact O-OG 3.3Å; Y282-S284 VanDerWaalsContact C-N 3.29Å; Y282-S284 PolarHBondContact O-N 3.1Å; S284-W287 PolarHBondContact O-N 3.2Å; S284-G288 PolarHBondContact O-N 2.89Å; S284-M296 WeakPolarHBondContact O-CG 3.38Å; S284-Y298 VanDerWaalsContact CB-N 3.34Å; S284-Y298 PolarHBondContact OG-N 2.92Å |
| 285 | R | 86.7 | Confident | 87.3 | Confident | 164 Ų | 164 | 59.9 Ų | 59.9 | 62% | 0.619 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.1 | -48.8 | 173.1 | -176.3 | -177.5 | 175.5 | -158.6 | -2.5 | 110.8 | A281 Y282 W287 G288 I289 | A281-R285 WeakPolarHBondContact O-CB 3.27Å; A281-R285 PolarHBondContact O-N 3.32Å; Y282-R285 WeakPolarHBondContact O-CB 3.38Å; Y282-R285 PolarHBondContact O-N 3.48Å; Y282-R285 VanDerWaalsContact O-N 3.15Å; R285-W287 VanDerWaalsContact C-N 3.28Å; R285-W287 PolarHBondContact O-N 3.16Å; R285-G288 CarbonylContact O-C 3.57Å; R285-G288 WeakPolarHBondContact O-CA 3.23Å; R285-G288 PolarHBondContact O-N 3.46Å; R285-I289 HydrophobicContact CG-CD1 4.04Å; R285-I289 WeakPolarHBondContact O-CG1 3.4Å; R285-I289 PolarHBondContact O-N 3.02Å |
| 286 | L | 86.1 | Confident | 87 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -41 | 176.3 | -69 | 176.2 | 0 | 0 | 0 | 111.5 | F250 L254 Y261 Y282 V283 I289 R290 | F250-L286 HydrophobicContact CE2-CB 4.33Å; F250-L286 HydrophobicContact CZ-CB 3.59Å; L254-L286 HydrophobicContact CD1-CD1 4.24Å; L254-L286 HydrophobicContact CD2-CD1 4.32Å; Y261-L286 HydrophobicContact CD1-CD1 3.89Å; Y261-L286 HydrophobicContact CE1-CD1 3.88Å; Y282-L286 HydrophobicContact CD1-CD1 3.82Å; Y282-L286 HydrophobicContact CD1-CG 4.22Å; Y282-L286 HydrophobicContact CE1-CD1 3.53Å; Y282-L286 HydrophobicContact CE1-CD2 4.36Å; Y282-L286 HydrophobicContact CE1-CG 4.01Å; Y282-L286 WeakPolarHBondContact O-CG 3.38Å; Y282-L286 PolarHBondContact O-N 3.09Å; V283-L286 PolarHBondContact O-N 3.27Å; L286-I289 PolarHBondContact O-N 2.94Å; L286-R290 WeakPolarHBondContact O-CB 3.32Å; L286-R290 PolarHBondContact O-N 3.44Å |
| 287 | W | 90.9 | Very high | 86.9 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 173.9 | 179.5 | -125.6 | 0 | 0 | 0 | 112.5 | I245 L247 F250 V283 S284 R285 R290 K291 L301 | I245-W287 HydrophobicContact CG2-CH2 4.11Å; I245-W287 HydrophobicContact CG2-CZ3 3.84Å; L247-W287 VanDerWaalsContact CA-CH2 3.43Å; L247-W287 HydrophobicContact CB-CD2 4.44Å; L247-W287 HydrophobicContact CB-CH2 4.06Å; L247-W287 HydrophobicContact CB-CZ2 3.61Å; L247-W287 HydrophobicContact CD1-CB 4.38Å; L247-W287 HydrophobicContact CD1-CD2 3.61Å; L247-W287 HydrophobicContact CD1-CE3 4.16Å; L247-W287 HydrophobicContact CD1-CG 3.7Å; L247-W287 HydrophobicContact CD1-CZ2 4.35Å; F250-W287 HydrophobicContact CB-CE3 3.58Å; F250-W287 HydrophobicContact CB-CH2 4.48Å; F250-W287 HydrophobicContact CB-CZ3 3.43Å; F250-W287 VanDerWaalsContact CB-CZ3 3.43Å; F250-W287 HydrophobicContact CD1-CB 4.06Å; F250-W287 HydrophobicContact CD1-CD2 4.06Å; F250-W287 AromaticContact CD1-CE3 3.42Å; F250-W287 HydrophobicContact CD1-CE3 3.42Å; F250-W287 VanDerWaalsContact CD1-CE3 3.42Å; F250-W287 HydrophobicContact CD1-CG 4.35Å; F250-W287 HydrophobicContact CD1-CZ3 4.19Å; F250-W287 HydrophobicContact CD2-CE3 4.02Å; F250-W287 HydrophobicContact CD2-CZ3 4.43Å; F250-W287 HydrophobicContact CE1-CB 3.62Å; F250-W287 HydrophobicContact CE1-CE3 4.08Å; F250-W287 HydrophobicContact CE1-CG 4.38Å; F250-W287 HydrophobicContact CG-CD2 4.42Å; F250-W287 AromaticContact CG-CE3 3.37Å; F250-W287 HydrophobicContact CG-CE3 3.37Å; F250-W287 AromaticContact CG-CZ3 3.77Å; F250-W287 HydrophobicContact CG-CZ3 3.77Å; F250-W287 HydrophobicContact CZ-CB 4.18Å; V283-W287 WeakPolarHBondContact O-CB 3.35Å; V283-W287 PolarHBondContact O-N 3.26Å; S284-W287 PolarHBondContact O-N 3.2Å; R285-W287 VanDerWaalsContact C-N 3.28Å; R285-W287 PolarHBondContact O-N 3.16Å; W287-R290 HydrophobicContact CE3-CB 4.16Å; W287-R290 HydrophobicContact CE3-CG 4.26Å; W287-R290 HydrophobicContact CZ3-CG 4.17Å; W287-R290 PolarHBondContact O-N 2.75Å; W287-K291 HydrophobicContact CD2-CG 4.02Å; W287-K291 HydrophobicContact CE3-CG 3.95Å; W287-K291 HydrophobicContact CH2-CD 3.51Å; W287-K291 HydrophobicContact CH2-CG 3.37Å; W287-K291 HydrophobicContact CZ2-CD 3.9Å; W287-K291 HydrophobicContact CZ2-CG 3.43Å; W287-K291 VanDerWaalsContact CZ2-CG 3.43Å; W287-K291 HydrophobicContact CZ3-CD 3.99Å; W287-K291 HydrophobicContact CZ3-CG 3.64Å; W287-K291 PolarHBondContact O-N 2.93Å; W287-K291 VanDerWaalsContact O-N 3.11Å; W287-L301 HydrophobicContact CB-CD1 3.68Å; W287-L301 HydrophobicContact CG-CD1 3.92Å |
| 288 | G | 82.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.6 | -49.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S284 R285 K291 N292 R293 M296 | S284-G288 PolarHBondContact O-N 2.89Å; R285-G288 CarbonylContact O-C 3.57Å; R285-G288 WeakPolarHBondContact O-CA 3.23Å; R285-G288 PolarHBondContact O-N 3.46Å; G288-K291 CarbonylContact O-C 3.44Å; G288-K291 PolarHBondContact O-N 2.87Å; G288-N292 CarbonylContact O-C 3.53Å; G288-N292 WeakPolarHBondContact O-CA 3.32Å; G288-N292 PolarHBondContact O-N 3.3Å; G288-R293 VanDerWaalsContact CA-O 3.31Å; G288-R293 WeakPolarHBondContact CA-O 3.42Å; G288-R293 PolarHBondContact O-N 3.04Å; G288-M296 VanDerWaalsContact CA-CB 3.42Å |
| 289 | I | 78.1 | Confident | 86.8 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.9 | -51 | 175.7 | -66.6 | 163.2 | 0 | 0 | 0 | 109.8 | R285 L286 K291 N292 | R285-I289 HydrophobicContact CG-CD1 4.04Å; R285-I289 WeakPolarHBondContact O-CG1 3.4Å; R285-I289 PolarHBondContact O-N 3.02Å; L286-I289 PolarHBondContact O-N 2.94Å; I289-K291 PolarHBondContact O-N 2.93Å; I289-K291 VanDerWaalsContact O-N 3.1Å; I289-N292 PolarHBondContact O-N 2.89Å |
| 290 | R | 81 | Confident | 86.9 | Confident | 112 Ų | 112 | 68.1 Ų | 68.1 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -28.3 | -177.6 | -174.1 | 60.5 | 169.2 | 90.1 | -5.3 | 114.5 | I245 F250 L286 W287 | I245-R290 VanDerWaalsContact CD1-NH2 3.28Å; I245-R290 HydrophobicContact CG2-CG 3.79Å; I245-R290 VanDerWaalsContact CG2-CZ 3.45Å; F250-R290 HydrophobicContact CD2-CB 4.13Å; F250-R290 HydrophobicContact CD2-CG 3.86Å; F250-R290 HydrophobicContact CE2-CB 4.09Å; F250-R290 HydrophobicContact CE2-CG 4.28Å; L286-R290 WeakPolarHBondContact O-CB 3.32Å; L286-R290 PolarHBondContact O-N 3.44Å; W287-R290 HydrophobicContact CE3-CB 4.16Å; W287-R290 HydrophobicContact CE3-CG 4.26Å; W287-R290 HydrophobicContact CZ3-CG 4.17Å; W287-R290 PolarHBondContact O-N 2.75Å |
| 291 | K | 79.8 | Confident | 86.9 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 7.1 | 179.9 | -66.5 | -69.3 | -73.7 | -170.6 | 0 | 113.7 | I245 W287 G288 I289 R293 | I245-K291 HydrophobicContact CG2-CD 3.81Å; I245-K291 PolarHBondContact O-NZ 3.43Å; W287-K291 HydrophobicContact CD2-CG 4.02Å; W287-K291 HydrophobicContact CE3-CG 3.95Å; W287-K291 HydrophobicContact CH2-CD 3.51Å; W287-K291 HydrophobicContact CH2-CG 3.37Å; W287-K291 HydrophobicContact CZ2-CD 3.9Å; W287-K291 HydrophobicContact CZ2-CG 3.43Å; W287-K291 VanDerWaalsContact CZ2-CG 3.43Å; W287-K291 HydrophobicContact CZ3-CD 3.99Å; W287-K291 HydrophobicContact CZ3-CG 3.64Å; W287-K291 PolarHBondContact O-N 2.93Å; W287-K291 VanDerWaalsContact O-N 3.11Å; G288-K291 CarbonylContact O-C 3.44Å; G288-K291 PolarHBondContact O-N 2.87Å; I289-K291 PolarHBondContact O-N 2.93Å; I289-K291 VanDerWaalsContact O-N 3.1Å; K291-R293 HydrophobicContact CB-CG 4.12Å; K291-R293 PolarHBondContact O-N 3.43Å |
| 292 | N | 74.6 | Confident | 87.1 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 52.5 | -171 | -165 | 18 | 0 | 0 | 0 | 113.4 | G288 I289 | G288-N292 CarbonylContact O-C 3.53Å; G288-N292 WeakPolarHBondContact O-CA 3.32Å; G288-N292 PolarHBondContact O-N 3.3Å; I289-N292 PolarHBondContact O-N 2.89Å |
| 293 | R | 79.3 | Confident | 87.5 | Confident | 140 Ų | 140 | 68.1 Ų | 68.1 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | trans | -122.2 | 85.4 | 177 | -63.3 | -61.6 | -174.2 | 176.3 | -2.2 | 108.8 | G288 K291 A295 M296 | G288-R293 VanDerWaalsContact CA-O 3.31Å; G288-R293 WeakPolarHBondContact CA-O 3.42Å; G288-R293 PolarHBondContact O-N 3.04Å; K291-R293 HydrophobicContact CB-CG 4.12Å; K291-R293 PolarHBondContact O-N 3.43Å; R293-A295 VanDerWaalsContact C-N 3.27Å; R293-A295 PolarHBondContact O-N 2.86Å; R293-M296 HydrophobicContact CB-CB 4.26Å; R293-M296 HydrophobicContact CB-CE 3.95Å; R293-M296 HydrophobicContact CG-CE 4.28Å; R293-M296 WeakPolarHBondContact O-CB 3.28Å; R293-M296 PolarHBondContact O-N 3.5Å | ||
| 294 | P | 71.3 | Confident | 87.6 | Confident | 95 Ų | 95 | 69.8 Ų | 69.8 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.9 | -173.6 | 24.4 | -33.9 | 0 | 0 | 0 | 113.5 | P221 M296 | P221-P294 HydrophobicContact CG-CG 4.45Å; P294-M296 PolarHBondContact O-N 3.13Å |
| 295 | A | 81.9 | Confident | 87.8 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 17.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R293 K300 | R293-A295 VanDerWaalsContact C-N 3.27Å; R293-A295 PolarHBondContact O-N 2.86Å; A295-K300 WeakPolarHBondContact O-CD 3.41Å; A295-K300 PolarHBondContact O-NZ 3.48Å |
| 296 | M | 90.7 | Very high | 88.3 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | trans | -69.1 | 133.1 | 173.3 | -173 | 62.3 | 66.6 | 0 | 0 | 109.3 | S284 G288 R293 P294 K300 L301 | S284-M296 WeakPolarHBondContact O-CG 3.38Å; G288-M296 VanDerWaalsContact CA-CB 3.42Å; R293-M296 HydrophobicContact CB-CB 4.26Å; R293-M296 HydrophobicContact CB-CE 3.95Å; R293-M296 HydrophobicContact CG-CE 4.28Å; R293-M296 WeakPolarHBondContact O-CB 3.28Å; R293-M296 PolarHBondContact O-N 3.5Å; P294-M296 PolarHBondContact O-N 3.13Å; M296-K300 HydrophobicContact SD-CB 3.92Å; M296-L301 HydrophobicContact SD-CB 4.31Å | ||
| 297 | N | 93.9 | Very high | 88.7 | Confident | 61 Ų | 61 | 71 Ų | 71 | 33% | 0.326 | 34% | 0.34 | S | S | . | . | trans | -140.4 | 172.2 | 174.2 | 64 | 24.1 | 0 | 0 | 0 | 108.7 | D299 K300 L301 | N297-D299 VanDerWaalsContact C-N 3.28Å; N297-D299 PolarHBondContact O-N 2.95Å; N297-D299 PolarHBondContact OD1-N 3.19Å; N297-K300 PolarHBondContact O-N 3.22Å; N297-K300 WeakPolarHBondContact OD1-CG 3.32Å; N297-K300 PolarHBondContact OD1-N 2.73Å; N297-L301 WeakPolarHBondContact O-CB 3.46Å; N297-L301 PolarHBondContact O-N 3.38Å | ||
| 298 | Y | 96.5 | Very high | 89 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.3 | -33.3 | -177.5 | 178.4 | -103.8 | 0 | 0 | 0 | 113 | S284 K300 L301 S302 L323 Y325 | S284-Y298 VanDerWaalsContact CB-N 3.34Å; S284-Y298 PolarHBondContact OG-N 2.92Å; Y298-K300 VanDerWaalsContact C-N 3.31Å; Y298-K300 PolarHBondContact O-N 3.25Å; Y298-L301 HydrophobicContact CD2-CD2 4.41Å; Y298-L301 HydrophobicContact CE2-CD2 4.5Å; Y298-L301 PolarHBondContact O-N 2.88Å; Y298-S302 WeakPolarHBondContact O-CB 3.4Å; Y298-S302 PolarHBondContact O-N 3.49Å; Y298-S302 PolarHBondContact O-OG 3.13Å; Y298-L323 HydrophobicContact CE1-CD2 3.69Å; Y298-L323 HydrophobicContact CE2-CD2 3.92Å; Y298-L323 WeakPolarHBondContact OH-CD2 3.37Å; Y298-Y325 PolarHBondContact OH-OH 3.06Å |
| 299 | D | 96.3 | Very high | 89.5 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 60% | 0.599 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 177 | -65.7 | -49.4 | 0 | 0 | 0 | 112.1 | N297 S302 R303 | N297-D299 VanDerWaalsContact C-N 3.28Å; N297-D299 PolarHBondContact O-N 2.95Å; N297-D299 PolarHBondContact OD1-N 3.19Å; D299-S302 PolarHBondContact O-OG 3.05Å; D299-R303 WeakPolarHBondContact O-CG 3.43Å; D299-R303 PolarHBondContact O-N 2.84Å |
| 300 | K | 95.3 | Very high | 90.1 | Very high | 105 Ų | 105 | 80.2 Ų | 80.2 | 46% | 0.457 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.1 | -47.3 | 175.7 | -68.3 | 173.3 | -173.4 | 174.8 | 0 | 111.6 | A295 M296 N297 Y298 S302 R303 | A295-K300 WeakPolarHBondContact O-CD 3.41Å; A295-K300 PolarHBondContact O-NZ 3.48Å; M296-K300 HydrophobicContact SD-CB 3.92Å; N297-K300 PolarHBondContact O-N 3.22Å; N297-K300 WeakPolarHBondContact OD1-CG 3.32Å; N297-K300 PolarHBondContact OD1-N 2.73Å; Y298-K300 VanDerWaalsContact C-N 3.31Å; Y298-K300 PolarHBondContact O-N 3.25Å; K300-S302 VanDerWaalsContact C-N 3.3Å; K300-S302 PolarHBondContact O-N 2.93Å; K300-R303 VanDerWaalsContact O-CB 3.31Å; K300-R303 WeakPolarHBondContact O-CB 3.09Å; K300-R303 PolarHBondContact O-N 3.15Å; K300-R303 VanDerWaalsContact O-N 3.08Å |
| 301 | L | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 177.8 | -176.1 | 155.1 | 0 | 0 | 0 | 111.2 | L247 V283 W287 M296 N297 Y298 R303 S304 I305 | L247-L301 HydrophobicContact CD1-CD1 3.8Å; L247-L301 HydrophobicContact CD1-CD2 4.21Å; L247-L301 HydrophobicContact CD1-CG 3.76Å; L247-L301 HydrophobicContact CD2-CD2 3.9Å; L247-L301 HydrophobicContact CD2-CG 3.76Å; L247-L301 WeakPolarHBondContact CD2-O 3.1Å; L247-L301 HydrophobicContact CG-CG 4.43Å; V283-L301 HydrophobicContact CG1-CD1 4.27Å; W287-L301 HydrophobicContact CB-CD1 3.68Å; W287-L301 HydrophobicContact CG-CD1 3.92Å; M296-L301 HydrophobicContact SD-CB 4.31Å; N297-L301 WeakPolarHBondContact O-CB 3.46Å; N297-L301 PolarHBondContact O-N 3.38Å; Y298-L301 HydrophobicContact CD2-CD2 4.41Å; Y298-L301 HydrophobicContact CE2-CD2 4.5Å; Y298-L301 PolarHBondContact O-N 2.88Å; L301-R303 PolarHBondContact O-N 3.42Å; L301-S304 WeakPolarHBondContact O-CB 3.26Å; L301-S304 PolarHBondContact O-N 3.21Å; L301-S304 VanDerWaalsContact O-N 3.07Å; L301-I305 HydrophobicContact CD2-CD1 3.51Å; L301-I305 HydrophobicContact CD2-CG1 4.03Å; L301-I305 PolarHBondContact O-N 3.3Å; L301-I305 VanDerWaalsContact O-N 3.16Å |
| 302 | S | 97 | Very high | 91.3 | Very high | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.028 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.6 | -24.9 | 179 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | Y298 D299 K300 I305 R306 | Y298-S302 WeakPolarHBondContact O-CB 3.4Å; Y298-S302 PolarHBondContact O-N 3.49Å; Y298-S302 PolarHBondContact O-OG 3.13Å; D299-S302 PolarHBondContact O-OG 3.05Å; K300-S302 VanDerWaalsContact C-N 3.3Å; K300-S302 PolarHBondContact O-N 2.93Å; S302-I305 PolarHBondContact O-N 3.44Å; S302-R306 WeakPolarHBondContact O-CG 3.34Å; S302-R306 PolarHBondContact O-N 3.29Å; S302-R306 PolarHBondContact O-NH1 3.33Å; S302-R306 PolarHBondContact OG-NH1 3.06Å; S302-R306 PolarHBondContact OG-NH2 3.24Å; S302-R306 VanDerWaalsContact OG-NH2 3.15Å |
| 303 | R | 96.4 | Very high | 92.2 | Very high | 168 Ų | 168 | 77.4 Ų | 77.4 | 63% | 0.634 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 170.6 | -68.5 | -79 | 169.8 | 124.7 | -0.1 | 110.8 | D299 K300 L301 R306 Q307 | D299-R303 WeakPolarHBondContact O-CG 3.43Å; D299-R303 PolarHBondContact O-N 2.84Å; K300-R303 VanDerWaalsContact O-CB 3.31Å; K300-R303 WeakPolarHBondContact O-CB 3.09Å; K300-R303 PolarHBondContact O-N 3.15Å; K300-R303 VanDerWaalsContact O-N 3.08Å; L301-R303 PolarHBondContact O-N 3.42Å; R303-R306 VanDerWaalsContact CG-NH2 3.26Å; R303-R306 PolarHBondContact O-N 3.24Å; R303-Q307 WeakPolarHBondContact O-CG 3.44Å; R303-Q307 PolarHBondContact O-N 3.2Å |
| 304 | S | 94.9 | Very high | 93.1 | Very high | 36 Ų | 36 | 70.7 Ų | 70.7 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 176.3 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | L301 R306 Q307 Y308 | L301-S304 WeakPolarHBondContact O-CB 3.26Å; L301-S304 PolarHBondContact O-N 3.21Å; L301-S304 VanDerWaalsContact O-N 3.07Å; S304-R306 VanDerWaalsContact C-N 3.32Å; S304-R306 PolarHBondContact O-N 3.47Å; S304-Q307 WeakPolarHBondContact O-CB 3.43Å; S304-Q307 PolarHBondContact O-N 2.94Å; S304-Y308 WeakPolarHBondContact O-CD2 3.37Å; S304-Y308 PolarHBondContact O-N 3.27Å; S304-Y308 VanDerWaalsContact O-N 3.14Å |
| 305 | I | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 173 | -61.7 | 178.9 | 0 | 0 | 0 | 111 | L247 L251 I277 L301 S302 Q307 Y308 Y309 I314 Y325 | L247-I305 HydrophobicContact CD2-CG1 3.75Å; L251-I305 HydrophobicContact CD1-CD1 4.08Å; L251-I305 HydrophobicContact CD1-CG1 4.31Å; I277-I305 HydrophobicContact CD1-CD1 4.26Å; L301-I305 HydrophobicContact CD2-CD1 3.51Å; L301-I305 HydrophobicContact CD2-CG1 4.03Å; L301-I305 PolarHBondContact O-N 3.3Å; L301-I305 VanDerWaalsContact O-N 3.16Å; S302-I305 PolarHBondContact O-N 3.44Å; I305-Q307 VanDerWaalsContact C-N 3.31Å; I305-Q307 PolarHBondContact O-N 2.83Å; I305-Y308 VanDerWaalsContact O-CB 3.31Å; I305-Y308 WeakPolarHBondContact O-CB 3.43Å; I305-Y308 PolarHBondContact O-N 3.22Å; I305-Y309 HydrophobicContact CG2-CE1 4.01Å; I305-Y309 WeakPolarHBondContact O-CD1 3.47Å; I305-I314 HydrophobicContact CG2-CG2 4.22Å; I305-Y325 HydrophobicContact CD1-CD2 4.5Å; I305-Y325 HydrophobicContact CD1-CE2 4.09Å; I305-Y325 HydrophobicContact CG2-CD1 3.65Å; I305-Y325 HydrophobicContact CG2-CE1 3.58Å; I305-Y325 HydrophobicContact CG2-CG 4.32Å |
| 306 | R | 95.4 | Very high | 94.8 | Very high | 104 Ų | 104 | 74.1 Ų | 74.1 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 176.2 | -73.4 | -175.6 | -70.4 | -84.9 | -0.8 | 112.6 | S302 R303 S304 Y308 Y309 | S302-R306 WeakPolarHBondContact O-CG 3.34Å; S302-R306 PolarHBondContact O-N 3.29Å; S302-R306 PolarHBondContact O-NH1 3.33Å; S302-R306 PolarHBondContact OG-NH1 3.06Å; S302-R306 PolarHBondContact OG-NH2 3.24Å; S302-R306 VanDerWaalsContact OG-NH2 3.15Å; R303-R306 VanDerWaalsContact CG-NH2 3.26Å; R303-R306 PolarHBondContact O-N 3.24Å; S304-R306 VanDerWaalsContact C-N 3.32Å; S304-R306 PolarHBondContact O-N 3.47Å; R306-Y308 PolarHBondContact O-N 3.49Å; R306-Y309 HydrophobicContact CB-CD2 4.45Å; R306-Y309 HydrophobicContact CB-CE2 4.33Å; R306-Y309 HydrophobicContact CG-CE2 3.93Å; R306-Y309 WeakPolarHBondContact O-CB 3.37Å; R306-Y309 PolarHBondContact O-N 3.34Å |
| 307 | Q | 95.4 | Very high | 94.9 | Very high | 120 Ų | 120 | 72.9 Ų | 72.9 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.9 | -31.1 | 173.5 | -70.8 | 171.6 | -13.8 | 0 | 0 | 111.9 | R303 S304 I305 Y309 K310 K311 | R303-Q307 WeakPolarHBondContact O-CG 3.44Å; R303-Q307 PolarHBondContact O-N 3.2Å; S304-Q307 WeakPolarHBondContact O-CB 3.43Å; S304-Q307 PolarHBondContact O-N 2.94Å; I305-Q307 VanDerWaalsContact C-N 3.31Å; I305-Q307 PolarHBondContact O-N 2.83Å; Q307-Y309 PolarHBondContact O-N 3.45Å; Q307-K310 PolarHBondContact O-N 3.1Å; Q307-K311 PolarHBondContact O-N 2.84Å |
| 308 | Y | 96.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 77.3 Ų | 77.3 | 8% | 0.078 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.8 | -17.7 | 177.4 | -63.1 | -32.4 | 0 | 0 | 0 | 114.6 | L247 W248 S304 I305 R306 K311 G312 I313 I314 | L247-Y308 HydrophobicContact CB-CE2 3.96Å; L247-Y308 WeakPolarHBondContact CB-OH 3.37Å; L247-Y308 HydrophobicContact CD2-CE2 4.18Å; L247-Y308 HydrophobicContact CG-CE2 4.24Å; L247-Y308 PolarHBondContact N-OH 2.87Å; W248-Y308 HydrophobicContact CB-CD2 4.17Å; W248-Y308 HydrophobicContact CB-CE2 3.74Å; W248-Y308 AromaticContact CD1-CZ 3.81Å; W248-Y308 HydrophobicContact CG-CE2 4.46Å; S304-Y308 WeakPolarHBondContact O-CD2 3.37Å; S304-Y308 PolarHBondContact O-N 3.27Å; S304-Y308 VanDerWaalsContact O-N 3.14Å; I305-Y308 VanDerWaalsContact O-CB 3.31Å; I305-Y308 WeakPolarHBondContact O-CB 3.43Å; I305-Y308 PolarHBondContact O-N 3.22Å; R306-Y308 PolarHBondContact O-N 3.49Å; Y308-K311 HydrophobicContact CD1-CD 4.41Å; Y308-K311 CarbonylContact O-C 3.58Å; Y308-K311 PolarHBondContact O-N 3.14Å; Y308-G312 PolarHBondContact O-N 3.09Å; Y308-G312 VanDerWaalsContact O-N 3.08Å; Y308-I313 HydrophobicContact CD1-CD1 3.87Å; Y308-I313 HydrophobicContact CE1-CD1 4.22Å; Y308-I313 HydrophobicContact CG-CB 4.38Å; Y308-I313 PolarHBondContact O-N 3.04Å; Y308-I313 VanDerWaalsContact O-N 3.14Å; Y308-I314 CarbonylContact C-O 3.46Å; Y308-I314 HydrophobicContact CD2-CD1 4.03Å; Y308-I314 HydrophobicContact CD2-CG1 4.48Å |
| 309 | Y | 94.4 | Very high | 94.5 | Very high | 89 Ų | 89 | 80 Ų | 80 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.7 | -58.9 | -14.1 | 0 | 0 | 0 | 111.4 | I305 R306 Q307 K311 G312 I314 Y325 | I305-Y309 HydrophobicContact CG2-CE1 4.01Å; I305-Y309 WeakPolarHBondContact O-CD1 3.47Å; R306-Y309 HydrophobicContact CB-CD2 4.45Å; R306-Y309 HydrophobicContact CB-CE2 4.33Å; R306-Y309 HydrophobicContact CG-CE2 3.93Å; R306-Y309 WeakPolarHBondContact O-CB 3.37Å; R306-Y309 PolarHBondContact O-N 3.34Å; Q307-Y309 PolarHBondContact O-N 3.45Å; Y309-K311 VanDerWaalsContact C-N 3.31Å; Y309-K311 PolarHBondContact O-N 2.98Å; Y309-G312 PolarHBondContact O-N 3.3Å; Y309-I314 VanDerWaalsContact CA-O 3.3Å; Y309-I314 WeakPolarHBondContact CA-O 3.46Å; Y309-I314 VanDerWaalsContact CD1-O 3.31Å; Y309-I314 WeakPolarHBondContact CD1-O 3.29Å; Y309-I314 HydrophobicContact CE1-CG2 4.21Å; Y309-Y325 WeakPolarHBondContact OH-CE1 3.31Å |
| 310 | K | 90.9 | Very high | 94.2 | Very high | 202 Ų | 202 | 78.1 Ų | 78.1 | 88% | 0.878 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.7 | -30.7 | 177.2 | -65.8 | -170.6 | 177.2 | -172.1 | 0 | 112.3 | Q307 G312 | Q307-K310 PolarHBondContact O-N 3.1Å; K310-G312 VanDerWaalsContact C-N 3.28Å; K310-G312 PolarHBondContact O-N 3.47Å |
| 311 | K | 91.5 | Very high | 94.1 | Very high | 149 Ų | 149 | 78.4 Ų | 78.4 | 65% | 0.648 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.1 | 178.7 | -63.9 | -169.6 | 173.1 | -167 | 0 | 113.6 | Q307 Y308 Y309 I313 | Q307-K311 PolarHBondContact O-N 2.84Å; Y308-K311 HydrophobicContact CD1-CD 4.41Å; Y308-K311 CarbonylContact O-C 3.58Å; Y308-K311 PolarHBondContact O-N 3.14Å; Y309-K311 VanDerWaalsContact C-N 3.31Å; Y309-K311 PolarHBondContact O-N 2.98Å; K311-I313 HydrophobicContact CB-CD1 4.04Å; K311-I313 HydrophobicContact CB-CG1 4.06Å; K311-I313 HydrophobicContact CD-CD1 4.41Å; K311-I313 PolarHBondContact O-N 3.41Å |
| 312 | G | 93.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 89.5 Ų | 89.5 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 25.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y308 Y309 K310 V328 | Y308-G312 PolarHBondContact O-N 3.09Å; Y308-G312 VanDerWaalsContact O-N 3.08Å; Y309-G312 PolarHBondContact O-N 3.3Å; K310-G312 VanDerWaalsContact C-N 3.28Å; K310-G312 PolarHBondContact O-N 3.47Å; G312-V328 WeakPolarHBondContact O-CB 3.49Å; G312-V328 VanDerWaalsContact O-CG2 3.26Å; G312-V328 WeakPolarHBondContact O-CG2 3.37Å |
| 313 | I | 94.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 91.4 Ų | 91.4 | 21% | 0.205 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -93.4 | -46.4 | 178.9 | -58.4 | 173.1 | 0 | 0 | 0 | 110 | W248 Y308 K311 V328 | W248-I313 HydrophobicContact CB-CG2 3.83Å; W248-I313 HydrophobicContact CD2-CG2 4.03Å; W248-I313 HydrophobicContact CG-CG2 3.68Å; Y308-I313 HydrophobicContact CD1-CD1 3.87Å; Y308-I313 HydrophobicContact CE1-CD1 4.22Å; Y308-I313 HydrophobicContact CG-CB 4.38Å; Y308-I313 PolarHBondContact O-N 3.04Å; Y308-I313 VanDerWaalsContact O-N 3.14Å; K311-I313 HydrophobicContact CB-CD1 4.04Å; K311-I313 HydrophobicContact CB-CG1 4.06Å; K311-I313 HydrophobicContact CD-CD1 4.41Å; K311-I313 PolarHBondContact O-N 3.41Å; I313-V328 PolarHBondContact O-N 3.31Å |
| 314 | I | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146 | 175.2 | -62.8 | -179.4 | 0 | 0 | 0 | 106.9 | W248 L251 F275 I305 Y308 Y309 Y325 Q326 F327 | W248-I314 HydrophobicContact CB-CD1 4.48Å; L251-I314 HydrophobicContact CD1-CD1 4.4Å; F275-I314 HydrophobicContact CE1-CD1 4.44Å; F275-I314 HydrophobicContact CZ-CD1 4.15Å; I305-I314 HydrophobicContact CG2-CG2 4.22Å; Y308-I314 CarbonylContact C-O 3.46Å; Y308-I314 HydrophobicContact CD2-CD1 4.03Å; Y308-I314 HydrophobicContact CD2-CG1 4.48Å; Y309-I314 VanDerWaalsContact CA-O 3.3Å; Y309-I314 WeakPolarHBondContact CA-O 3.46Å; Y309-I314 VanDerWaalsContact CD1-O 3.31Å; Y309-I314 WeakPolarHBondContact CD1-O 3.29Å; Y309-I314 HydrophobicContact CE1-CG2 4.21Å; I314-Y325 HydrophobicContact CG2-CD1 4.34Å; I314-Y325 HydrophobicContact CG2-CG 4.46Å; I314-Q326 CarbonylContact C-O 3.54Å; I314-Q326 VanDerWaalsContact CA-O 3.25Å; I314-Q326 WeakPolarHBondContact CA-O 3.42Å; I314-Q326 WeakPolarHBondContact CG2-O 3.3Å; I314-F327 HydrophobicContact CD1-CD1 4.38Å; I314-F327 HydrophobicContact CD1-CE1 3.94Å; I314-F327 HydrophobicContact CD1-CZ 4.32Å; I314-F327 HydrophobicContact CG1-CD1 3.81Å; I314-F327 HydrophobicContact CG1-CE1 3.85Å |
| 315 | R | 95.3 | Very high | 94.3 | Very high | 110 Ų | 110 | 82.9 Ų | 82.9 | 42% | 0.415 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 169.7 | 171.9 | 68.6 | 179.5 | -173.4 | -161.8 | 0.3 | 111.1 | Q326 V328 | R315-Q326 HydrophobicContact CG-CB 4Å; R315-Q326 HydrophobicContact CG-CG 4.26Å; R315-Q326 PolarHBondContact N-O 2.7Å; R315-Q326 VanDerWaalsContact NH2-NE2 3.16Å; R315-Q326 PolarHBondContact O-N 3.43Å; R315-V328 HydrophobicContact CB-CG2 4.05Å; R315-V328 HydrophobicContact CG-CG2 4.09Å |
| 316 | K | 94.2 | Very high | 94.3 | Very high | 123 Ų | 123 | 83.3 Ų | 83.3 | 54% | 0.535 | 39% | 0.39 | S | S | . | . | trans | -79.8 | 129.8 | 169.9 | -159.1 | 175.1 | -175.3 | -167.4 | 0 | 108.3 | S320 | K316-S320 VanDerWaalsContact CE-CB 3.48Å; K316-S320 WeakPolarHBondContact CE-OG 3.36Å; K316-S320 PolarHBondContact NZ-OG 2.77Å | ||
| 317 | P | 93.5 | Very high | 94.4 | Very high | 11 Ų | 11 | 78.7 Ų | 78.7 | 7% | 0.071 | 37% | 0.373 | C | S | . | . | trans | -66.3 | 157.8 | 176.5 | 19.7 | -22.4 | 0 | 0 | 0 | 111.2 | V319 V324 Q326 | P317-V319 CarbonylContact O-C 3.55Å; P317-V319 PolarHBondContact O-N 3.49Å; P317-V324 HydrophobicContact CG-CB 4.38Å; P317-V324 HydrophobicContact CG-CG1 3.88Å; P317-Q326 HydrophobicContact CB-CB 4.41Å | ||
| 318 | D | 89.9 | Confident | 94.2 | Very high | 155 Ų | 155 | 75.3 Ų | 75.3 | 83% | 0.829 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -53.7 | -41.3 | -178.2 | -54.7 | -36.2 | 0 | 0 | 0 | 111.5 | ||
| 319 | V | 90.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 81.4 Ų | 81.4 | 61% | 0.612 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -91.6 | 103.2 | 170.1 | -172.4 | 0 | 0 | 0 | 0 | 109 | P317 Q321 | P317-V319 CarbonylContact O-C 3.55Å; P317-V319 PolarHBondContact O-N 3.49Å; V319-Q321 HydrophobicContact CG1-CG 4.18Å; V319-Q321 PolarHBondContact O-N 2.76Å; V319-Q321 VanDerWaalsContact O-N 3.14Å |
| 320 | S | 90.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 81 Ų | 81 | 51% | 0.51 | 40% | 0.397 | S | S | . | . | trans | -66.6 | 109.4 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | K316 | K316-S320 VanDerWaalsContact CE-CB 3.48Å; K316-S320 WeakPolarHBondContact CE-OG 3.36Å; K316-S320 PolarHBondContact NZ-OG 2.77Å | ||
| 321 | Q | 94.8 | Very high | 90.7 | Very high | 111 Ų | 111 | 74.8 Ų | 74.8 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | trans | -124.8 | 154.1 | 172.1 | -65.8 | -175.8 | 15.5 | 0 | 0 | 111.4 | V319 L323 V324 | V319-Q321 HydrophobicContact CG1-CG 4.18Å; V319-Q321 PolarHBondContact O-N 2.76Å; V319-Q321 VanDerWaalsContact O-N 3.14Å; Q321-L323 PolarHBondContact O-N 3.35Å; Q321-V324 HydrophobicContact CB-CB 4.02Å; Q321-V324 HydrophobicContact CB-CG2 3.56Å; Q321-V324 PolarHBondContact O-N 3.14Å | ||
| 322 | R | 95.3 | Very high | 90.6 | Very high | 233 Ų | 233 | 71.1 Ų | 71.1 | 88% | 0.879 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 134.5 | 178.3 | -76 | -172 | 171.7 | -135.7 | 0.6 | 110.3 | V324 | R322-V324 WeakPolarHBondContact O-CG2 3.31Å; R322-V324 PolarHBondContact O-N 2.9Å; R322-V324 VanDerWaalsContact O-N 3.12Å |
| 323 | L | 96.7 | Very high | 90.5 | Very high | 44 Ų | 44 | 73.2 Ų | 73.2 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 14.4 | 178 | -48.2 | -179.2 | 0 | 0 | 0 | 114.9 | K276 I277 Y298 Q321 Y325 | K276-L323 WeakPolarHBondContact CA-O 3.32Å; I277-L323 HydrophobicContact CB-CB 4.28Å; I277-L323 PolarHBondContact N-O 3.11Å; I277-L323 WeakPolarHBondContact O-CB 3.31Å; I277-L323 VanDerWaalsContact O-CD1 3.26Å; I277-L323 WeakPolarHBondContact O-CD1 3.44Å; Y298-L323 HydrophobicContact CE1-CD2 3.69Å; Y298-L323 HydrophobicContact CE2-CD2 3.92Å; Y298-L323 WeakPolarHBondContact OH-CD2 3.37Å; Q321-L323 PolarHBondContact O-N 3.35Å; L323-Y325 WeakPolarHBondContact O-CD2 3.33Å; L323-Y325 WeakPolarHBondContact O-CE2 3.38Å |
| 324 | V | 97.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 75.1 Ų | 75.1 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.8 | 176.7 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | L268 I274 F275 K276 P317 Q321 R322 | L268-V324 HydrophobicContact CD1-CG1 3.73Å; L268-V324 HydrophobicContact CD1-CG2 4.04Å; I274-V324 HydrophobicContact CG2-CG1 3.75Å; F275-V324 WeakPolarHBondContact O-CA 3.48Å; F275-V324 WeakPolarHBondContact O-CG1 3.34Å; K276-V324 HydrophobicContact CB-CG2 4.13Å; K276-V324 HydrophobicContact CD-CG2 3.95Å; K276-V324 HydrophobicContact CG-CG2 3.9Å; P317-V324 HydrophobicContact CG-CB 4.38Å; P317-V324 HydrophobicContact CG-CG1 3.88Å; Q321-V324 HydrophobicContact CB-CB 4.02Å; Q321-V324 HydrophobicContact CB-CG2 3.56Å; Q321-V324 PolarHBondContact O-N 3.14Å; R322-V324 WeakPolarHBondContact O-CG2 3.31Å; R322-V324 PolarHBondContact O-N 2.9Å; R322-V324 VanDerWaalsContact O-N 3.12Å |
| 325 | Y | 97.1 | Very high | 89.9 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.8 | -174.4 | -58.8 | -72.2 | 0 | 0 | 0 | 110.6 | I274 F275 I277 Y298 I305 Y309 I314 L323 | I274-Y325 WeakPolarHBondContact CA-O 3.32Å; F275-Y325 AromaticContact CE2-CD2 3.88Å; F275-Y325 HydrophobicContact CE2-CD2 3.88Å; F275-Y325 HydrophobicContact CE2-CG 4.31Å; F275-Y325 VanDerWaalsContact CZ-CB 3.47Å; F275-Y325 HydrophobicContact CZ-CD2 4.17Å; F275-Y325 HydrophobicContact CZ-CG 4.15Å; F275-Y325 PolarHBondContact N-O 2.6Å; F275-Y325 PolarHBondContact O-N 3.31Å; F275-Y325 VanDerWaalsContact O-O 3.12Å; I277-Y325 HydrophobicContact CD1-CD2 4.27Å; I277-Y325 HydrophobicContact CD1-CE2 3.93Å; I277-Y325 HydrophobicContact CG1-CE2 4.42Å; Y298-Y325 PolarHBondContact OH-OH 3.06Å; I305-Y325 HydrophobicContact CD1-CD2 4.5Å; I305-Y325 HydrophobicContact CD1-CE2 4.09Å; I305-Y325 HydrophobicContact CG2-CD1 3.65Å; I305-Y325 HydrophobicContact CG2-CE1 3.58Å; I305-Y325 HydrophobicContact CG2-CG 4.32Å; Y309-Y325 WeakPolarHBondContact OH-CE1 3.31Å; I314-Y325 HydrophobicContact CG2-CD1 4.34Å; I314-Y325 HydrophobicContact CG2-CG 4.46Å; L323-Y325 WeakPolarHBondContact O-CD2 3.33Å; L323-Y325 WeakPolarHBondContact O-CE2 3.38Å |
| 326 | Q | 96.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 77.6 Ų | 77.6 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 124.8 | 178.2 | -177.7 | 173.9 | 25.5 | 0 | 0 | 110.7 | K272 G273 I274 I314 R315 P317 | K272-Q326 WeakPolarHBondContact O-CG 3.25Å; K272-Q326 PolarHBondContact O-NE2 3.12Å; G273-Q326 CarbonylContact O-C 3.58Å; G273-Q326 VanDerWaalsContact O-CA 3.31Å; G273-Q326 WeakPolarHBondContact O-CA 3.5Å; I274-Q326 HydrophobicContact CG1-CB 4.17Å; I274-Q326 HydrophobicContact CG1-CG 3.85Å; I314-Q326 CarbonylContact C-O 3.54Å; I314-Q326 VanDerWaalsContact CA-O 3.25Å; I314-Q326 WeakPolarHBondContact CA-O 3.42Å; I314-Q326 WeakPolarHBondContact CG2-O 3.3Å; R315-Q326 HydrophobicContact CG-CB 4Å; R315-Q326 HydrophobicContact CG-CG 4.26Å; R315-Q326 PolarHBondContact N-O 2.7Å; R315-Q326 VanDerWaalsContact NH2-NE2 3.16Å; R315-Q326 PolarHBondContact O-N 3.43Å; P317-Q326 HydrophobicContact CB-CB 4.41Å |
| 327 | F | 96.7 | Very high | 89.3 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134 | 165.6 | -76 | -75.4 | 0 | 0 | 0 | 109.9 | W248 L251 R252 L255 W267 G273 F275 I314 | W248-F327 HydrophobicContact CB-CE1 4.19Å; W248-F327 HydrophobicContact CE3-CE1 4.42Å; L251-F327 HydrophobicContact CB-CZ 4.45Å; R252-F327 HydrophobicContact CB-CZ 4.24Å; L255-F327 HydrophobicContact CD1-CE2 3.88Å; W267-F327 AromaticContact CH2-CD2 3.74Å; W267-F327 HydrophobicContact CH2-CD2 3.74Å; W267-F327 AromaticContact CH2-CE2 3.98Å; W267-F327 HydrophobicContact CH2-CE2 3.98Å; W267-F327 AromaticContact CZ3-CD2 3.99Å; W267-F327 HydrophobicContact CZ3-CD2 3.99Å; W267-F327 HydrophobicContact CZ3-CE2 4.44Å; G273-F327 PolarHBondContact O-N 3.11Å; F275-F327 AromaticContact CD1-CD2 3.65Å; F275-F327 HydrophobicContact CD1-CD2 3.65Å; F275-F327 AromaticContact CD1-CE2 3.63Å; F275-F327 HydrophobicContact CD1-CE2 3.63Å; F275-F327 AromaticContact CE1-CD2 3.48Å; F275-F327 HydrophobicContact CE1-CD2 3.48Å; F275-F327 VanDerWaalsContact CE1-CD2 3.48Å; F275-F327 AromaticContact CE1-CE2 3.29Å; F275-F327 HydrophobicContact CE1-CE2 3.29Å; F275-F327 HydrophobicContact CE1-CG 4.28Å; F275-F327 AromaticContact CE1-CZ 3.95Å; F275-F327 HydrophobicContact CE1-CZ 3.95Å; F275-F327 HydrophobicContact CZ-CE2 4.02Å; F275-F327 HydrophobicContact CZ-CZ 4.34Å; I314-F327 HydrophobicContact CD1-CD1 4.38Å; I314-F327 HydrophobicContact CD1-CE1 3.94Å; I314-F327 HydrophobicContact CD1-CZ 4.32Å; I314-F327 HydrophobicContact CG1-CD1 3.81Å; I314-F327 HydrophobicContact CG1-CE1 3.85Å |
| 328 | V | 91.9 | Very high | 89 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 29% | 0.291 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -69.3 | -39.6 | -178.8 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | G312 I313 R315 | G312-V328 WeakPolarHBondContact O-CB 3.49Å; G312-V328 VanDerWaalsContact O-CG2 3.26Å; G312-V328 WeakPolarHBondContact O-CG2 3.37Å; I313-V328 PolarHBondContact O-N 3.31Å; R315-V328 HydrophobicContact CB-CG2 4.05Å; R315-V328 HydrophobicContact CG-CG2 4.09Å |
| 329 | H | 83.7 | Confident | 88.9 | Confident | 148 Ų | 148 | 73.2 Ų | 73.2 | 69% | 0.685 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -102.7 | 114.1 | 170.2 | -60.1 | 92.6 | 0 | 0 | 0 | 107.6 | ||
| 330 | P | 67.6 | Low | 88.7 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | trans | -60.7 | 151.3 | 178.2 | 23.5 | -30 | 0 | 0 | 0 | 110.8 | E271 | E271-P330 WeakPolarHBondContact O-CB 3.34Š| ||
| 331 | V | 56.6 | Low | 88.6 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 44% | 0.442 | 34% | 0.341 | S | S | . | . | trans | -96.6 | 0 | -170.4 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | R252 L256 W267 | R252-V331 HydrophobicContact CG-CG1 3.99Å; R252-V331 HydrophobicContact CG-CG2 3.98Å; L256-V331 HydrophobicContact CD2-CG1 4.22Å; W267-V331 HydrophobicContact CH2-CB 4.24Å; W267-V331 HydrophobicContact CH2-CG2 4.27Å; W267-V331 HydrophobicContact CZ2-CB 4.31Å |
Retrieved 331 of 331 residues in 469.6 ms
(Link to these results)