| 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 | 41.5 | Very low | 48.4 | Very low | 244 Ų | 244 | 149.6 Ų | 149.6 | 100% | 1.202 | 81% | 0.814 | S | S | * | * | 0 | 132.6 | 0 | -77.8 | -179.2 | 132.5 | 0 | 0 | 106.7 | |||||
| 2 | P | 58.3 | Low | 47.9 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 71% | 0.714 | 82% | 0.822 | S | S | * | * | trans | -104.8 | -169.7 | -148.2 | 37.9 | -26.3 | 0 | 0 | 0 | 113.8 | ||||
| 3 | D | 52.5 | Low | 47 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | 112.5 | 97.4 | 164 | -54.6 | -23.7 | 0 | 0 | 0 | 112.8 | ||||
| 4 | V | 58 | Low | 46.4 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 75% | 0.745 | 82% | 0.821 | S | S | * | * | 83.8 | 104.3 | 53.2 | -178.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 5 | D | 48.9 | Very low | 45.6 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | 53.5 | 155.7 | 135.4 | -77.1 | -36.4 | 0 | 0 | 0 | 125.8 | ||||
| 6 | D | 50.9 | Low | 45.3 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | trans | 98.4 | 131.3 | 155.3 | -78.2 | -29.8 | 0 | 0 | 0 | 117.3 | ||||
| 7 | S | 46.5 | Very low | 44.8 | Very low | 91 Ų | 91 | 154.1 Ų | 154.1 | 64% | 0.636 | 83% | 0.828 | S | S | * | * | cis | 136.1 | 126.6 | 6.2 | -88.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 8 | D | 49.7 | Very low | 44.5 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | 145.7 | 105.4 | 144.8 | -84.9 | -21.5 | 0 | 0 | 0 | 111.2 | ||||
| 9 | K | 44.4 | Very low | 44.1 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | 55.8 | 109.2 | 71.4 | -72.8 | -169.2 | 179.8 | 177.4 | 0 | 115.2 | |||||
| 10 | S | 43.2 | Very low | 43.7 | Very low | 122 Ų | 122 | 157.1 Ų | 157.1 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | 173.8 | 130.2 | 108.1 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 11 | E | 38.8 | Very low | 43.4 | Very low | 178 Ų | 178 | 156.6 Ų | 156.6 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -70 | 155.4 | 170.9 | -56.4 | 164.8 | 141.9 | 0 | 0 | 111.8 | ||||
| 12 | T | 41.8 | Very low | 43 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | 178.3 | 146.7 | 115.2 | 24.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 13 | N | 36.5 | Very low | 42.4 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | trans | -97.4 | 144.8 | -169.5 | -168.9 | 7.7 | 0 | 0 | 0 | 110.2 | ||||
| 14 | C | 39 | Very low | 41.7 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 89% | 0.892 | 82% | 0.82 | S | S | * | * | trans | -161.5 | 105.9 | 159.5 | -113.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 15 | N | 34.2 | Very low | 40.4 | Very low | 153 Ų | 153 | 157 Ų | 157 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -69.1 | 142.6 | 162.5 | -80.1 | -27 | 0 | 0 | 0 | 111.2 | ||||
| 16 | R | 40.3 | Very low | 40 | Very low | 239 Ų | 239 | 155.3 Ų | 155.3 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -153.8 | 117.1 | 152.6 | -137.9 | 173.7 | -177.2 | 171.4 | -0.8 | 111.8 | ||||
| 17 | N | 36.9 | Very low | 39.3 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -65.6 | 136 | 165.3 | -78 | -22.1 | 0 | 0 | 0 | 110.6 | ||||
| 18 | E | 39.3 | Very low | 38.5 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -143.5 | 115.2 | 149.8 | -73.9 | -166.9 | 127.3 | 0 | 0 | 110.5 | ||||
| 19 | N | 37.1 | Very low | 38 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | trans | -58.9 | 133.7 | 158.5 | -89.4 | -26.8 | 0 | 0 | 0 | 109.2 | ||||
| 20 | M | 36.3 | Very low | 37.2 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 84% | 0.837 | 83% | 0.83 | S | S | * | * | trans | -163.4 | 113.6 | 150.5 | -114.4 | -176.2 | 70.9 | 0 | 0 | 113.9 | ||||
| 21 | L | 37.8 | Very low | 36.9 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 78% | 0.775 | 83% | 0.83 | S | S | * | * | trans | 53.2 | 119.4 | 138.2 | -86.9 | 89.1 | 0 | 0 | 0 | 121.8 | ||||
| 22 | L | 32.3 | Very low | 36.6 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 143.4 | 150.6 | -66.2 | 162.7 | 0 | 0 | 0 | 111.6 | ||
| 23 | P | 46 | Very low | 36.4 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 133.2 | 159.9 | 11.3 | 7.6 | 0 | 0 | 0 | 112 | ||
| 24 | N | 38.9 | Very low | 36.4 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 155.5 | 173.8 | -66.9 | -48.6 | 0 | 0 | 0 | 114.6 | ||
| 25 | E | 30.3 | Very low | 36.1 | Very low | 191 Ų | 191 | 149.4 Ų | 149.4 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 149.6 | 155.4 | -69.5 | -175.7 | 126.6 | 0 | 0 | 112 | ||
| 26 | P | 39.8 | Very low | 36.2 | Very low | 109 Ų | 109 | 152 Ų | 152 | 71% | 0.708 | 83% | 0.827 | S | S | * | * | trans | -134.1 | 121.8 | 142.7 | 31.4 | -14.8 | 0 | 0 | 0 | 113.3 | ||||
| 27 | S | 35.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | 60.6 | 110 | 119.1 | -38.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 28 | V | 30.5 | Very low | 35.7 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -55.5 | 143.5 | 157.5 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 29 | P | 38.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -116.3 | 132.2 | 147.5 | 33.2 | -21.5 | 0 | 0 | 0 | 111.6 | ||||
| 30 | S | 28.9 | Very low | 35.7 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -62.9 | 138.9 | 167.4 | 45 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 31 | S | 36.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -146.8 | 114.4 | 154.5 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | S | 32.1 | Very low | 35.3 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -60.7 | 136.6 | 176.3 | -48.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 33 | A | 36.9 | Very low | 35.2 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -139.1 | 127.9 | 151 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 34 | K | 36.9 | Very low | 35 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -83.7 | 145 | -164.6 | -70.7 | 171.1 | 171.3 | 177.4 | 0 | 113 | ||||
| 35 | H | 33.2 | Very low | 35 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 16.6 | 130.5 | 148.5 | -75.1 | -31.7 | 0 | 0 | 0 | 121.5 | ||||
| 36 | F | 35.8 | Very low | 35.6 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | -145.3 | 117.2 | 117.4 | -130.5 | -94 | 0 | 0 | 0 | 110 | |||||
| 37 | E | 33.2 | Very low | 35.8 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | trans | -79.3 | 151.5 | 173 | -71.8 | 173.8 | 133.9 | 0 | 0 | 111.4 | ||||
| 38 | Q | 33.3 | Very low | 35.7 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | -174.2 | 119.2 | 126.2 | -104.7 | 175.9 | 6.7 | 0 | 0 | 111.1 | |||||
| 39 | P | 32.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -105.5 | 140.9 | 159.7 | 34.3 | -23.3 | 0 | 0 | 0 | 110.5 | ||||
| 40 | V | 44.7 | Very low | 36.1 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -107.6 | 115.8 | 171.1 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 41 | A | 29.8 | Very low | 36.4 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 151.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 42 | C | 34.7 | Very low | 36.5 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -145.7 | 117.9 | 146.9 | -155.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 43 | S | 31.3 | Very low | 36.6 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -84.7 | 148.3 | 177.2 | 50.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 44 | T | 41.2 | Very low | 36.8 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -155 | 133.2 | 136.4 | 10.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 45 | T | 38.1 | Very low | 36.7 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 164.4 | -168.2 | 37.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 46 | P | 44.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | trans | -96.7 | -177.1 | 179 | 40 | -33.6 | 0 | 0 | 0 | 112.7 | ||||
| 47 | P | 43.7 | Very low | 37 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -133.7 | 163.5 | 145.9 | 34.7 | -18.9 | 0 | 0 | 0 | 114.9 | ||||
| 48 | S | 33.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -104.5 | -178.2 | -166.2 | -48.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 49 | V | 38.9 | Very low | 37.6 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | 77.7 | 138.5 | 158.4 | -128 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 50 | E | 37.3 | Very low | 37.7 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -172 | 158.8 | 33.7 | -155.9 | 153.8 | -137.1 | 0 | 0 | 111.6 | ||||
| 51 | N | 35.4 | Very low | 37.6 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -62.3 | 154.1 | -176.3 | -64.2 | -52.8 | 0 | 0 | 0 | 115.6 | ||||
| 52 | N | 39.2 | Very low | 38 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | 172.9 | 116.7 | 127.1 | -86.5 | -30.9 | 0 | 0 | 0 | 112.9 | |||||
| 53 | E | 35.4 | Very low | 38.1 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -66 | 171.3 | 150.3 | -95.9 | -166.8 | 138.1 | 0 | 0 | 110.2 | ||||
| 54 | P | 40.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -152.5 | -173.8 | 35.7 | 37.3 | -12 | 0 | 0 | 0 | 118.1 | ||||
| 55 | S | 35.9 | Very low | 38.2 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 99.4 | 102.5 | 141.4 | -60.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 56 | A | 36.2 | Very low | 38.2 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | 65.8 | 118.7 | 120.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 57 | S | 39 | Very low | 37.6 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | -179 | 120.9 | 109.3 | 58 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 58 | S | 36.7 | Very low | 37 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 15.9 | 134 | 150 | 62.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 59 | S | 41.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | -171.7 | 122.3 | 78.5 | 33.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 60 | F | 33.9 | Very low | 36.8 | Very low | 176 Ų | 176 | 139 Ų | 139 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | trans | 11.6 | 114.2 | 139.1 | -138 | -92.7 | 0 | 0 | 0 | 120.8 | D62 | F60-D62 VanDerWaalsContact CE1-OD2 3.32Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å | ||
| 61 | V | 43.5 | Very low | 36.5 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -152.7 | 125.7 | 135.6 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 62 | D | 37.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 160.4 | -177.4 | -78 | -50.6 | 0 | 0 | 0 | 115.2 | F60 | F60-D62 VanDerWaalsContact CE1-OD2 3.32Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å |
| 63 | P | 38.7 | Very low | 36.4 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 161.9 | -162.7 | 38.1 | -32.8 | 0 | 0 | 0 | 113.8 | ||
| 64 | P | 40.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -104 | 121.9 | 158.2 | 32.5 | -20.6 | 0 | 0 | 0 | 111.3 | K66 | P64-K66 PolarHBondContact O-N 3.1Š|
| 65 | D | 32.4 | Very low | 37.1 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -41.9 | 117.3 | 153.9 | -88 | -46.8 | 0 | 0 | 0 | 111.4 | ||||
| 66 | K | 38.5 | Very low | 37.6 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -143.9 | 96.2 | 148.2 | -80.3 | -164.1 | 178.5 | 175.8 | 0 | 110 | P64 T68 | P64-K66 PolarHBondContact O-N 3.1Å; K66-T68 PolarHBondContact O-N 3.46Å; K66-T68 PolarHBondContact O-OG1 3.07Å | ||
| 67 | Q | 30.8 | Very low | 38.4 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -36.1 | 106.2 | 150.2 | -68.5 | 163 | -14.7 | 0 | 0 | 109.8 | ||||
| 68 | T | 31 | Very low | 39.3 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -126.5 | 81.8 | 157.6 | 26.3 | 0 | 0 | 0 | 0 | 104.7 | K66 H70 | K66-T68 PolarHBondContact O-N 3.46Å; K66-T68 PolarHBondContact O-OG1 3.07Å; T68-H70 PolarHBondContact O-N 2.82Å | ||
| 69 | A | 32.9 | Very low | 40.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -60.2 | 107.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | E71 | A69-E71 PolarHBondContact O-N 2.74Š| ||
| 70 | H | 36.2 | Very low | 43 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -62.9 | 95.2 | 159.8 | -83.2 | -91.3 | 0 | 0 | 0 | 106.1 | T68 A72 | T68-H70 PolarHBondContact O-N 2.82Å; H70-A72 PolarHBondContact O-N 2.86Å | ||
| 71 | E | 32.1 | Very low | 45.7 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -56.2 | 107 | 159 | -75.4 | 176.5 | 162.7 | 0 | 0 | 105.8 | A69 D73 | A69-E71 PolarHBondContact O-N 2.74Å; E71-D73 PolarHBondContact O-N 3.43Å | ||
| 72 | A | 36.5 | Very low | 48.1 | Very low | 85 Ų | 85 | 124 Ų | 124 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | trans | -60.4 | 125.5 | 170 | 0 | 0 | 0 | 0 | 0 | 107.3 | H70 E74 | H70-A72 PolarHBondContact O-N 2.86Å; A72-E74 PolarHBondContact O-N 2.89Å | ||
| 73 | D | 35.6 | Very low | 50.8 | Low | 167 Ų | 167 | 121.2 Ų | 121.2 | 89% | 0.893 | 65% | 0.651 | S | S | * | * | trans | -57.8 | 88.4 | 167.7 | -75.6 | -43.8 | 0 | 0 | 0 | 108.6 | E71 | E71-D73 PolarHBondContact O-N 3.43Š| ||
| 74 | E | 43.3 | Very low | 53.6 | Low | 158 Ų | 158 | 116.2 Ų | 116.2 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | trans | -60.2 | 121.7 | 161.1 | -87 | -72.5 | 168.2 | 0 | 0 | 106.7 | A72 Y76 | A72-E74 PolarHBondContact O-N 2.89Å; E74-Y76 PolarHBondContact O-N 3.23Å | ||
| 75 | P | 45.5 | Very low | 56.2 | Low | 94 Ų | 94 | 110.8 Ų | 110.8 | 61% | 0.61 | 58% | 0.582 | S | S | * | * | trans | -63.1 | 111.9 | 175.9 | 27.2 | -30.4 | 0 | 0 | 0 | 105.9 | V77 | P75-V77 PolarHBondContact O-N 2.72Š| ||
| 76 | Y | 46.8 | Very low | 59.2 | Low | 222 Ų | 222 | 106.9 Ų | 106.9 | 87% | 0.871 | 56% | 0.555 | S | S | * | * | trans | -52.4 | 98.3 | 167.3 | -93.6 | -98.1 | 0 | 0 | 0 | 106.7 | E74 V78 | E74-Y76 PolarHBondContact O-N 3.23Å; Y76-V78 PolarHBondContact O-N 2.92Å | ||
| 77 | V | 53.8 | Low | 61.9 | Low | 55 Ų | 55 | 98.3 Ų | 98.3 | 33% | 0.333 | 52% | 0.519 | S | S | . | . | trans | -63.3 | 99 | 166.5 | -175.4 | 0 | 0 | 0 | 0 | 103.2 | P75 N79 T132 | P75-V77 PolarHBondContact O-N 2.72Å; V77-N79 PolarHBondContact O-N 3.42Å; V77-N79 VanDerWaalsContact O-N 3.08Å; V77-T132 HydrophobicContact CB-CG2 4.44Å; V77-T132 HydrophobicContact CG1-CG2 3.91Å | ||
| 78 | V | 58.1 | Low | 64.9 | Low | 113 Ų | 113 | 93.5 Ų | 93.5 | 69% | 0.685 | 50% | 0.495 | S | S | * | . | trans | -49.9 | 123.8 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 104.9 | Y76 L80 | Y76-V78 PolarHBondContact O-N 2.92Å; V78-L80 PolarHBondContact O-N 3.39Å | ||
| 79 | N | 69.8 | Low | 67.9 | Low | 114 Ų | 114 | 88.6 Ų | 88.6 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | trans | -67 | 71.7 | 174.8 | -78.1 | -39.7 | 0 | 0 | 0 | 107.8 | V77 | V77-N79 PolarHBondContact O-N 3.42Å; V77-N79 VanDerWaalsContact O-N 3.08Å | ||
| 80 | L | 85.9 | Confident | 70.7 | Confident | 30 Ų | 30 | 90.8 Ų | 90.8 | 16% | 0.157 | 45% | 0.453 | C | S | . | . | trans | -69.7 | 130.7 | 177.1 | -172.8 | 65.4 | 0 | 0 | 0 | 107 | V78 P104 A130 A131 | V78-L80 PolarHBondContact O-N 3.39Å; L80-P104 HydrophobicContact CD2-CB 3.88Å; L80-P104 HydrophobicContact CD2-CG 3.71Å; L80-A130 CarbonylContact O-C 3.44Å; L80-A131 HydrophobicContact CB-CB 4.03Å; L80-A131 PolarHBondContact O-N 2.99Å | ||
| 81 | I | 91.3 | Very high | 73.2 | Confident | 100 Ų | 100 | 88.1 Ų | 88.1 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.1 | -172.9 | -66.8 | 174.1 | 0 | 0 | 0 | 107.6 | V128 | I81-V128 HydrophobicContact CG2-CB 4.15Å; I81-V128 HydrophobicContact CG2-CG1 3.14Å |
| 82 | H | 93.4 | Very high | 76 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.7 | -179.9 | -60.5 | -72 | 0 | 0 | 0 | 110.5 | A97 T98 V128 V129 | H82-A97 HydrophobicContact CB-CB 4.35Å; H82-T98 PolarHBondContact ND1-O 3.49Å; H82-V128 WeakPolarHBondContact O-CA 3.18Å; H82-V128 VanDerWaalsContact O-CG1 3.29Å; H82-V128 WeakPolarHBondContact O-CG1 3.46Å; H82-V129 HydrophobicContact CB-CG1 3.97Å; H82-V129 PolarHBondContact N-O 3.46Å; H82-V129 PolarHBondContact O-N 2.8Å |
| 83 | Q | 94.9 | Very high | 78.8 | Confident | 61 Ų | 61 | 84.4 Ų | 84.4 | 29% | 0.285 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 139.6 | 171.4 | -63.1 | -68.7 | -28.5 | 0 | 0 | 109.9 | T98 E127 Q315 L318 | Q83-T98 WeakPolarHBondContact CB-OG1 3.24Å; Q83-T98 PolarHBondContact O-N 2.97Å; Q83-T98 PolarHBondContact O-OG1 3.35Å; Q83-E127 PolarHBondContact OE1-O 3.4Å; Q83-Q315 HydrophobicContact CG-CG 4.37Å; Q83-Q315 VanDerWaalsContact CG-NE2 3.32Å; Q83-L318 HydrophobicContact CB-CD1 4.09Å; Q83-L318 HydrophobicContact CB-CD2 3.74Å; Q83-L318 HydrophobicContact CG-CD2 3.94Å |
| 84 | V | 96.1 | Very high | 81.7 | Confident | 9 Ų | 9 | 76.6 Ų | 76.6 | 6% | 0.055 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.2 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 109 | P95 I96 L122 T126 E127 V129 | V84-P95 HydrophobicContact CG1-CB 3.46Å; V84-P95 VanDerWaalsContact CG1-CB 3.46Å; V84-I96 WeakPolarHBondContact CA-O 3.48Å; V84-L122 HydrophobicContact CG2-CD1 4.19Å; V84-T126 VanDerWaalsContact CB-O 3.32Å; V84-T126 WeakPolarHBondContact CB-O 3.47Å; V84-T126 VanDerWaalsContact CG1-O 3.31Å; V84-T126 WeakPolarHBondContact CG1-O 3.49Å; V84-T126 HydrophobicContact CG2-CG2 4.13Å; V84-E127 PolarHBondContact N-O 2.9Å; V84-V129 HydrophobicContact CG2-CB 4Å; V84-V129 HydrophobicContact CG2-CG1 3.75Å |
| 85 | K | 95.5 | Very high | 84.2 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.3 | 171.8 | -176.2 | 178.6 | 178.4 | 171.2 | 0 | 108.8 | V87 I96 T98 F317 L318 E320 Y323 | K85-V87 HydrophobicContact CD-CG1 4.15Å; K85-V87 HydrophobicContact CG-CG1 4.05Å; K85-I96 HydrophobicContact CB-CD1 4.4Å; K85-I96 HydrophobicContact CB-CG1 3.84Å; K85-I96 HydrophobicContact CD-CD1 4.31Å; K85-I96 HydrophobicContact CG-CG1 4.46Å; K85-I96 PolarHBondContact N-O 3.47Å; K85-I96 WeakPolarHBondContact O-CG1 2.93Å; K85-I96 PolarHBondContact O-N 2.99Å; K85-T98 HydrophobicContact CB-CG2 3.99Å; K85-F317 WeakPolarHBondContact CE-O 3.26Å; K85-F317 PolarHBondContact NZ-O 3.48Å; K85-L318 HydrophobicContact CB-CD1 3.84Å; K85-L318 HydrophobicContact CG-CD1 4.45Å; K85-E320 WeakPolarHBondContact CE-O 3.49Å; K85-E320 PolarHBondContact NZ-O 3.03Å; K85-Y323 PolarHBondContact NZ-O 3.41Å |
| 86 | W | 95.6 | Very high | 86.6 | Confident | 76 Ų | 76 | 65 Ų | 65 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.5 | 172.8 | -72.1 | 84.1 | 0 | 0 | 0 | 110 | P93 P95 P123 T126 | W86-P93 HydrophobicContact CE3-CB 4.13Å; W86-P93 HydrophobicContact CZ3-CB 4.39Å; W86-P95 HydrophobicContact CD2-CB 4.11Å; W86-P95 HydrophobicContact CE3-CB 4.2Å; W86-P95 HydrophobicContact CE3-CG 4.5Å; W86-P95 HydrophobicContact CH2-CB 4.03Å; W86-P95 HydrophobicContact CH2-CG 3.85Å; W86-P95 HydrophobicContact CZ2-CB 3.9Å; W86-P95 HydrophobicContact CZ2-CG 4.18Å; W86-P95 HydrophobicContact CZ3-CB 4.18Å; W86-P95 HydrophobicContact CZ3-CG 4.03Å; W86-P123 VanDerWaalsContact CZ2-O 3.27Å; W86-P123 WeakPolarHBondContact CZ2-O 3.32Å; W86-T126 PolarHBondContact NE1-O 3.26Å |
| 87 | V | 94.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155.7 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | K85 V94 I96 V324 | K85-V87 HydrophobicContact CD-CG1 4.15Å; K85-V87 HydrophobicContact CG-CG1 4.05Å; V87-V94 WeakPolarHBondContact CG2-O 3.31Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.49Å; V87-I96 HydrophobicContact CG1-CD1 3.74Å; V87-I96 HydrophobicContact CG1-CG1 4.14Å; V87-I96 HydrophobicContact CG2-CD1 4.32Å; V87-I96 HydrophobicContact CG2-CG1 4.42Å; V87-I96 HydrophobicContact CG2-CG2 3.87Å; V87-V324 HydrophobicContact CB-CG1 4.14Å; V87-V324 HydrophobicContact CB-CG2 4.17Å; V87-V324 HydrophobicContact CG1-CG1 4.13Å; V87-V324 HydrophobicContact CG1-CG2 3.91Å; V87-V324 HydrophobicContact CG2-CG1 4.33Å |
| 88 | K | 94.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 39% | 0.387 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.6 | 170.9 | -171.9 | -175.2 | 174.3 | -153.6 | 0 | 108.7 | N91 S340 D341 | K88-N91 WeakPolarHBondContact CE-OD1 3.46Å; K88-N91 PolarHBondContact NZ-OD1 2.91Å; K88-S340 PolarHBondContact N-OG 3.01Å; K88-S340 WeakPolarHBondContact O-CB 3.5Å; K88-S340 PolarHBondContact O-OG 3.15Å; K88-D341 IonicContact NZ-OD2 2.71Å; K88-D341 PolarHBondContact NZ-OD2 3.33Å |
| 89 | W | 93.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 6% | 0.057 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 114.6 | 175.4 | -178.3 | -119.4 | 0 | 0 | 0 | 109.1 | N91 R92 V94 L116 L289 W325 F342 | W89-N91 VanDerWaalsContact C-N 3.29Å; W89-N91 PolarHBondContact O-N 2.95Å; W89-R92 PolarHBondContact N-O 3.48Å; W89-R92 WeakPolarHBondContact O-CB 3.31Å; W89-R92 PolarHBondContact O-N 3.49Å; W89-V94 HydrophobicContact CB-CB 4.25Å; W89-V94 HydrophobicContact CB-CG2 3.81Å; W89-L116 HydrophobicContact CB-CD2 4.03Å; W89-L116 VanDerWaalsContact CD1-O 3.3Å; W89-L116 HydrophobicContact CD2-CD2 3.77Å; W89-L116 HydrophobicContact CE3-CD2 4.33Å; W89-L116 HydrophobicContact CG-CD2 3.62Å; W89-L116 PolarHBondContact NE1-O 3.32Å; W89-L289 HydrophobicContact CH2-CD2 4.4Å; W89-L289 HydrophobicContact CZ2-CD1 4.36Å; W89-L289 HydrophobicContact CZ2-CD2 4.08Å; W89-W325 AromaticContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CH2-CH2 4.3Å; W89-W325 AromaticContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CZ2-CZ2 4.48Å; W89-W325 AromaticContact CZ3-CE2 3.67Å; W89-W325 HydrophobicContact CZ3-CH2 4.35Å; W89-W325 AromaticContact CZ3-CZ2 3.3Å; W89-W325 HydrophobicContact CZ3-CZ2 3.3Å; W89-W325 AromaticContact CZ3-NE1 3.62Å; W89-F342 HydrophobicContact CH2-CE2 4.29Å; W89-F342 HydrophobicContact CH2-CZ 4.04Å; W89-F342 AromaticContact CZ3-CE2 3.7Å; W89-F342 HydrophobicContact CZ3-CE2 3.7Å; W89-F342 AromaticContact CZ3-CZ 3.73Å; W89-F342 HydrophobicContact CZ3-CZ 3.73Å |
| 90 | Y | 90.7 | Very high | 93.1 | Very high | 138 Ų | 138 | 46.8 Ų | 46.8 | 54% | 0.541 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 50.6 | -173 | -67.7 | -76.3 | 0 | 0 | 0 | 113.6 | R92 | Y90-R92 PolarHBondContact O-N 2.65Š|
| 91 | N | 88.9 | Confident | 92.8 | Very high | 126 Ų | 126 | 50.7 Ų | 50.7 | 67% | 0.674 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 9.6 | -176.6 | -62.6 | -35 | 0 | 0 | 0 | 116.5 | K88 W89 | K88-N91 WeakPolarHBondContact CE-OD1 3.46Å; K88-N91 PolarHBondContact NZ-OD1 2.91Å; W89-N91 VanDerWaalsContact C-N 3.29Å; W89-N91 PolarHBondContact O-N 2.95Å |
| 92 | R | 92.5 | Very high | 92.1 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.2 | 171.9 | -171 | -178.4 | 72.2 | -158.9 | 2.2 | 110.4 | W89 Y90 V94 L115 L116 | W89-R92 PolarHBondContact N-O 3.48Å; W89-R92 WeakPolarHBondContact O-CB 3.31Å; W89-R92 PolarHBondContact O-N 3.49Å; Y90-R92 PolarHBondContact O-N 2.65Å; R92-V94 HydrophobicContact CB-CG2 4.46Å; R92-V94 HydrophobicContact CG-CG2 4.32Å; R92-V94 VanDerWaalsContact NE-CG2 3.26Å; R92-V94 PolarHBondContact O-N 3.25Å; R92-L115 PolarHBondContact NH2-O 2.94Å; R92-L115 VanDerWaalsContact NH2-O 3.13Å; R92-L116 PolarHBondContact NH2-O 3.24Å |
| 93 | P | 94.2 | Very high | 91.5 | Very high | 86 Ų | 86 | 54.5 Ų | 54.5 | 56% | 0.558 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 126.8 | 165.9 | 29.2 | -32.4 | 0 | 0 | 0 | 109.4 | W86 | W86-P93 HydrophobicContact CE3-CB 4.13Å; W86-P93 HydrophobicContact CZ3-CB 4.39Å |
| 94 | V | 95.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130 | 179.8 | 177.1 | 0 | 0 | 0 | 0 | 109 | V87 W89 R92 L115 L116 | V87-V94 WeakPolarHBondContact CG2-O 3.31Å; V87-V94 PolarHBondContact N-O 2.93Å; V87-V94 PolarHBondContact O-N 3.49Å; W89-V94 HydrophobicContact CB-CB 4.25Å; W89-V94 HydrophobicContact CB-CG2 3.81Å; R92-V94 HydrophobicContact CB-CG2 4.46Å; R92-V94 HydrophobicContact CG-CG2 4.32Å; R92-V94 VanDerWaalsContact NE-CG2 3.26Å; R92-V94 PolarHBondContact O-N 3.25Å; V94-L115 HydrophobicContact CG1-CB 4.18Å; V94-L115 WeakPolarHBondContact CG1-O 3.45Å; V94-L116 HydrophobicContact CG1-CD2 4.14Å |
| 95 | P | 96.3 | Very high | 91 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 138 | 172.2 | 29.3 | -27.3 | 0 | 0 | 0 | 109.8 | V84 W86 L115 L122 | V84-P95 HydrophobicContact CG1-CB 3.46Å; V84-P95 VanDerWaalsContact CG1-CB 3.46Å; W86-P95 HydrophobicContact CD2-CB 4.11Å; W86-P95 HydrophobicContact CE3-CB 4.2Å; W86-P95 HydrophobicContact CE3-CG 4.5Å; W86-P95 HydrophobicContact CH2-CB 4.03Å; W86-P95 HydrophobicContact CH2-CG 3.85Å; W86-P95 HydrophobicContact CZ2-CB 3.9Å; W86-P95 HydrophobicContact CZ2-CG 4.18Å; W86-P95 HydrophobicContact CZ3-CB 4.18Å; W86-P95 HydrophobicContact CZ3-CG 4.03Å; P95-L115 HydrophobicContact CG-CD2 4.19Å; P95-L115 WeakPolarHBondContact O-CB 3.4Å; P95-L115 WeakPolarHBondContact O-CD1 3.42Å; P95-L122 HydrophobicContact CB-CB 4.48Å; P95-L122 HydrophobicContact CB-CD1 4.15Å; P95-L122 HydrophobicContact CG-CB 3.91Å; P95-L122 HydrophobicContact CG-CD1 4.18Å; P95-L122 HydrophobicContact CG-CG 4.28Å |
| 96 | I | 96.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.6 | 168.5 | 64.3 | 173.6 | 0 | 0 | 0 | 108.6 | V84 K85 V87 N112 L311 | V84-I96 WeakPolarHBondContact CA-O 3.48Å; K85-I96 HydrophobicContact CB-CD1 4.4Å; K85-I96 HydrophobicContact CB-CG1 3.84Å; K85-I96 HydrophobicContact CD-CD1 4.31Å; K85-I96 HydrophobicContact CG-CG1 4.46Å; K85-I96 PolarHBondContact N-O 3.47Å; K85-I96 WeakPolarHBondContact O-CG1 2.93Å; K85-I96 PolarHBondContact O-N 2.99Å; V87-I96 HydrophobicContact CG1-CD1 3.74Å; V87-I96 HydrophobicContact CG1-CG1 4.14Å; V87-I96 HydrophobicContact CG2-CD1 4.32Å; V87-I96 HydrophobicContact CG2-CG1 4.42Å; V87-I96 HydrophobicContact CG2-CG2 3.87Å; I96-N112 WeakPolarHBondContact CA-OD1 3.5Å; I96-L311 HydrophobicContact CB-CD2 4.48Å; I96-L311 HydrophobicContact CD1-CD1 4.16Å; I96-L311 HydrophobicContact CD1-CD2 4.46Å; I96-L311 HydrophobicContact CD1-CG 4.38Å; I96-L311 HydrophobicContact CG2-CD2 4.18Å |
| 97 | A | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | H82 L108 N112 V129 L134 | H82-A97 HydrophobicContact CB-CB 4.35Å; A97-L108 HydrophobicContact CB-CD2 3.57Å; A97-N112 PolarHBondContact N-OD1 3.43Å; A97-N112 PolarHBondContact O-ND2 3.06Å; A97-V129 HydrophobicContact CB-CG1 4.22Å; A97-L134 HydrophobicContact CB-CD1 4.4Å |
| 98 | T | 95.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | trans | -98.1 | 163.2 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | H82 Q83 K85 T313 L318 | H82-T98 PolarHBondContact ND1-O 3.49Å; Q83-T98 WeakPolarHBondContact CB-OG1 3.24Å; Q83-T98 PolarHBondContact O-N 2.97Å; Q83-T98 PolarHBondContact O-OG1 3.35Å; K85-T98 HydrophobicContact CB-CG2 3.99Å; T98-T313 CarbonylContact C-O 3.59Å; T98-T313 WeakPolarHBondContact CA-O 3.37Å; T98-T313 WeakPolarHBondContact CB-O 3.38Å; T98-L318 HydrophobicContact CG2-CD1 4.34Å | ||
| 99 | Q | 91.1 | Very high | 91 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -126.2 | 146.8 | -179.9 | 69.3 | -170.2 | -1.9 | 0 | 0 | 111.7 | L108 H297 T313 Q315 | Q99-L108 HydrophobicContact CB-CD1 3.54Å; Q99-H297 PolarHBondContact NE2-CE1 2.6Å; Q99-H297 PolarHBondContact NE2-NE2 2.92Å; Q99-H297 PolarHBondContact OE1-NE2 2.81Å; Q99-T313 PolarHBondContact N-O 3.46Å; Q99-T313 PolarHBondContact NE2-OG1 3.49Å; Q99-Q315 WeakPolarHBondContact O-CB 3.37Å; Q99-Q315 PolarHBondContact O-N 3.28Å |
| 100 | N | 83.1 | Confident | 91.1 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -123.9 | -20 | 171.7 | 58.2 | -17.5 | 0 | 0 | 0 | 112.9 | Q315 | N100-Q315 HydrophobicContact CB-CB 4.41Å; N100-Q315 VanDerWaalsContact CB-OE1 3.31Å |
| 101 | E | 78.8 | Confident | 91.4 | Very high | 111 Ų | 111 | 36.2 Ų | 36.2 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -121.6 | 147.9 | -176.5 | -67.9 | -177.6 | 179.5 | 0 | 0 | 110.8 | P104 | E101-P104 WeakPolarHBondContact O-CD 3.43Š|
| 102 | N | 78.3 | Confident | 91.8 | Very high | 163 Ų | 163 | 30.2 Ų | 30.2 | 87% | 0.872 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -72.7 | 142.5 | 173.2 | -66.5 | -37.7 | 0 | 0 | 0 | 109.9 | P104 | N102-P104 VanDerWaalsContact C-CD 3.49Š|
| 103 | G | 79.8 | Confident | 92.1 | Very high | 19 Ų | 19 | 25.3 Ų | 25.3 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 129.9 | -64.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | C105 P106 S171 T172 | G103-C105 PolarHBondContact O-N 3.32Å; G103-P106 WeakPolarHBondContact O-CD 3.36Å; G103-S171 CarbonylContact C-O 3.55Å; G103-T172 WeakPolarHBondContact CA-O 3.31Å |
| 104 | P | 88.9 | Confident | 92.2 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | trans | -75.3 | 3.1 | -172.1 | 33.9 | -41.1 | 0 | 0 | 0 | 114.3 | L80 E101 N102 P106 L107 L108 S171 | L80-P104 HydrophobicContact CD2-CB 3.88Å; L80-P104 HydrophobicContact CD2-CG 3.71Å; E101-P104 WeakPolarHBondContact O-CD 3.43Å; N102-P104 VanDerWaalsContact C-CD 3.49Å; P104-P106 VanDerWaalsContact C-N 3.34Å; P104-L107 WeakPolarHBondContact O-CB 3.5Å; P104-L107 PolarHBondContact O-N 2.94Å; P104-L107 VanDerWaalsContact O-N 3.13Å; P104-L108 HydrophobicContact CB-CD1 4.36Å; P104-L108 HydrophobicContact CB-CG 4.45Å; P104-L108 HydrophobicContact CG-CD1 4.23Å; P104-L108 WeakPolarHBondContact O-CG 3Å; P104-L108 PolarHBondContact O-N 3.01Å; P104-S171 WeakPolarHBondContact CA-O 3.15Å | ||
| 105 | C | 92.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.5 | -34.5 | -176.8 | 70.4 | 0 | 0 | 0 | 0 | 114.9 | G103 L108 A109 H297 | G103-C105 PolarHBondContact O-N 3.32Å; C105-L108 PolarHBondContact O-N 3.35Å; C105-A109 VanDerWaalsContact O-CB 3.26Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.39Å; C105-H297 WeakPolarHBondContact CB-NE2 3.32Å |
| 106 | P | 93.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 175.4 | -13.9 | 28.3 | 0 | 0 | 0 | 111.8 | G103 P104 A109 I110 L170 L174 F298 | G103-P106 WeakPolarHBondContact O-CD 3.36Å; P104-P106 VanDerWaalsContact C-N 3.34Å; P106-A109 PolarHBondContact O-N 2.93Å; P106-I110 WeakPolarHBondContact O-CG1 3.14Å; P106-I110 PolarHBondContact O-N 3.27Å; P106-I110 VanDerWaalsContact O-N 3.09Å; P106-L170 HydrophobicContact CB-CD2 3.97Å; P106-L174 HydrophobicContact CB-CB 3.78Å; P106-L174 HydrophobicContact CB-CD2 4.3Å; P106-L174 HydrophobicContact CG-CB 3.6Å; P106-F298 HydrophobicContact CB-CD2 3.99Å; P106-F298 HydrophobicContact CB-CE2 4.25Å; P106-F298 HydrophobicContact CB-CG 4.29Å; P106-F298 HydrophobicContact CG-CD2 3.64Å; P106-F298 HydrophobicContact CG-CE2 3.81Å; P106-F298 HydrophobicContact CG-CG 4.4Å |
| 107 | L | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 175.8 | 178.4 | 63.5 | 0 | 0 | 0 | 110.7 | P104 A109 I110 C111 A131 L134 I135 V138 L170 | P104-L107 WeakPolarHBondContact O-CB 3.5Å; P104-L107 PolarHBondContact O-N 2.94Å; P104-L107 VanDerWaalsContact O-N 3.13Å; L107-A109 PolarHBondContact O-N 3.16Å; L107-I110 PolarHBondContact O-N 3.39Å; L107-C111 WeakPolarHBondContact O-CB 3.37Å; L107-C111 PolarHBondContact O-N 3.48Å; L107-C111 PolarHBondContact O-SG 3.42Å; L107-A131 HydrophobicContact CD2-CB 4.28Å; L107-L134 HydrophobicContact CD1-CB 4.29Å; L107-L134 HydrophobicContact CD2-CB 4.08Å; L107-L134 HydrophobicContact CD2-CD1 4.41Å; L107-L134 HydrophobicContact CG-CB 4.27Å; L107-I135 HydrophobicContact CD1-CG1 3.95Å; L107-I135 HydrophobicContact CD2-CD1 4.34Å; L107-I135 HydrophobicContact CD2-CG1 3.8Å; L107-V138 HydrophobicContact CD1-CG2 4.45Å; L107-L170 HydrophobicContact CB-CB 3.9Å; L107-L170 WeakPolarHBondContact CB-O 3.5Å; L107-L170 HydrophobicContact CD1-CB 4.43Å; L107-L170 PolarHBondContact N-O 3.06Å |
| 108 | L | 95.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | -178.3 | -65.1 | 176.9 | 0 | 0 | 0 | 112.4 | A97 Q99 P104 C105 C111 N112 L134 | A97-L108 HydrophobicContact CB-CD2 3.57Å; Q99-L108 HydrophobicContact CB-CD1 3.54Å; P104-L108 HydrophobicContact CB-CD1 4.36Å; P104-L108 HydrophobicContact CB-CG 4.45Å; P104-L108 HydrophobicContact CG-CD1 4.23Å; P104-L108 WeakPolarHBondContact O-CG 3Å; P104-L108 PolarHBondContact O-N 3.01Å; C105-L108 PolarHBondContact O-N 3.35Å; L108-C111 PolarHBondContact O-N 2.76Å; L108-N112 WeakPolarHBondContact O-CB 3.27Å; L108-N112 PolarHBondContact O-N 3.48Å; L108-N112 PolarHBondContact O-ND2 3.21Å; L108-L134 HydrophobicContact CD2-CD1 3.77Å |
| 109 | A | 96.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C105 P106 L107 L113 V291 F298 V300 | C105-A109 VanDerWaalsContact O-CB 3.26Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.39Å; P106-A109 PolarHBondContact O-N 2.93Å; L107-A109 PolarHBondContact O-N 3.16Å; A109-L113 VanDerWaalsContact O-CB 3.23Å; A109-L113 WeakPolarHBondContact O-CB 3.39Å; A109-L113 PolarHBondContact O-N 2.79Å; A109-L113 VanDerWaalsContact O-N 3.12Å; A109-V291 HydrophobicContact CB-CG1 4.02Å; A109-V291 HydrophobicContact CB-CG2 4.28Å; A109-F298 HydrophobicContact CB-CB 3.82Å; A109-V300 HydrophobicContact CB-CG2 4.49Å; A109-V300 VanDerWaalsContact O-CG2 3.27Å; A109-V300 WeakPolarHBondContact O-CG2 3.49Å |
| 110 | I | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -53.2 | 175.7 | -68.7 | 169.1 | 0 | 0 | 0 | 110.3 | P106 L107 N112 L113 L114 V138 L170 I194 F195 L198 I200 | P106-I110 WeakPolarHBondContact O-CG1 3.14Å; P106-I110 PolarHBondContact O-N 3.27Å; P106-I110 VanDerWaalsContact O-N 3.09Å; L107-I110 PolarHBondContact O-N 3.39Å; I110-N112 PolarHBondContact O-N 3.13Å; I110-L113 PolarHBondContact O-N 3.1Å; I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.42Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.48Å; I110-L114 PolarHBondContact O-N 3.21Å; I110-V138 HydrophobicContact CG2-CG1 4.25Å; I110-V138 HydrophobicContact CG2-CG2 4.22Å; I110-L170 HydrophobicContact CD1-CD1 4.29Å; I110-L170 HydrophobicContact CD1-CD2 4.07Å; I110-I194 HydrophobicContact CD1-CD1 4.2Å; I110-I194 HydrophobicContact CD1-CG2 4.04Å; I110-F195 HydrophobicContact CD1-CD1 4.34Å; I110-F195 HydrophobicContact CD1-CE1 3.8Å; I110-F195 HydrophobicContact CD1-CZ 4.11Å; I110-F195 HydrophobicContact CG1-CD1 4.19Å; I110-F195 HydrophobicContact CG1-CE1 3.64Å; I110-F195 HydrophobicContact CG1-CZ 4.36Å; I110-L198 HydrophobicContact CG2-CD1 3.7Å; I110-I200 HydrophobicContact CB-CD1 4.39Å; I110-I200 HydrophobicContact CG1-CD1 4.31Å; I110-I200 HydrophobicContact CG2-CD1 3.88Å |
| 111 | C | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -48.7 | -177.9 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | L107 L108 L113 L114 L115 L134 V138 | L107-C111 WeakPolarHBondContact O-CB 3.37Å; L107-C111 PolarHBondContact O-N 3.48Å; L107-C111 PolarHBondContact O-SG 3.42Å; L108-C111 PolarHBondContact O-N 2.76Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 2.68Å; C111-L114 PolarHBondContact O-N 3.31Å; C111-L115 WeakPolarHBondContact O-CB 3.16Å; C111-L115 WeakPolarHBondContact O-CG 3.39Å; C111-L115 PolarHBondContact O-N 3.21Å; C111-L134 HydrophobicContact CB-CD2 4.27Å; C111-V138 VanDerWaalsContact SG-CG2 3.5Å |
| 112 | N | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | -179.7 | -73.4 | -21.9 | 0 | 0 | 0 | 112 | I96 A97 L108 I110 L115 L116 V300 L311 T313 | I96-N112 WeakPolarHBondContact CA-OD1 3.5Å; A97-N112 PolarHBondContact N-OD1 3.43Å; A97-N112 PolarHBondContact O-ND2 3.06Å; L108-N112 WeakPolarHBondContact O-CB 3.27Å; L108-N112 PolarHBondContact O-N 3.48Å; L108-N112 PolarHBondContact O-ND2 3.21Å; I110-N112 PolarHBondContact O-N 3.13Å; N112-L115 PolarHBondContact O-N 2.98Å; N112-L116 WeakPolarHBondContact O-CB 3.43Å; N112-L116 VanDerWaalsContact O-CG 3.24Å; N112-L116 WeakPolarHBondContact O-CG 3.39Å; N112-L116 PolarHBondContact O-N 3.2Å; N112-V300 HydrophobicContact CB-CG2 4.05Å; N112-L311 HydrophobicContact CB-CD2 3.76Å; N112-T313 WeakPolarHBondContact ND2-CG2 3.29Å |
| 113 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 175.1 | 179.1 | 155.6 | 0 | 0 | 0 | 111.5 | A109 I110 C111 L116 R117 I200 L289 V291 V300 | A109-L113 VanDerWaalsContact O-CB 3.23Å; A109-L113 WeakPolarHBondContact O-CB 3.39Å; A109-L113 PolarHBondContact O-N 2.79Å; A109-L113 VanDerWaalsContact O-N 3.12Å; I110-L113 PolarHBondContact O-N 3.1Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 2.68Å; L113-L116 PolarHBondContact O-N 3.19Å; L113-R117 HydrophobicContact CD2-CG 4.25Å; L113-R117 VanDerWaalsContact CD2-CZ 3.42Å; L113-R117 VanDerWaalsContact CD2-NE 3.3Å; L113-R117 WeakPolarHBondContact O-CG 3.42Å; L113-R117 PolarHBondContact O-N 3.23Å; L113-I200 HydrophobicContact CD1-CG2 3.73Å; L113-I200 HydrophobicContact CD2-CD1 3.85Å; L113-I200 HydrophobicContact CD2-CG1 3.72Å; L113-I200 HydrophobicContact CD2-CG2 4.37Å; L113-L289 HydrophobicContact CD1-CB 4.11Å; L113-L289 HydrophobicContact CG-CB 4.04Å; L113-V291 HydrophobicContact CD1-CG2 3.88Å; L113-V300 HydrophobicContact CB-CG1 4.24Å; L113-V300 HydrophobicContact CB-CG2 4.01Å; L113-V300 HydrophobicContact CD1-CG1 4.5Å |
| 114 | L | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.7 | -37.4 | 177.2 | -67.3 | 170.7 | 0 | 0 | 0 | 112.3 | I110 C111 R117 G118 D119 L120 V138 L141 L198 I200 | I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.42Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.48Å; I110-L114 PolarHBondContact O-N 3.21Å; C111-L114 PolarHBondContact O-N 3.31Å; L114-R117 PolarHBondContact O-N 3.33Å; L114-G118 PolarHBondContact O-N 2.89Å; L114-D119 HydrophobicContact CB-CB 4.34Å; L114-D119 HydrophobicContact CD2-CB 3.98Å; L114-D119 PolarHBondContact O-N 3.4Å; L114-L120 HydrophobicContact CB-CB 4.23Å; L114-L120 HydrophobicContact CB-CD1 3.81Å; L114-L120 HydrophobicContact CB-CG 3.82Å; L114-L120 HydrophobicContact CD1-CD1 3.85Å; L114-L120 HydrophobicContact CD1-CG 4.22Å; L114-L120 PolarHBondContact O-N 2.99Å; L114-V138 HydrophobicContact CD1-CG2 4.35Å; L114-L141 HydrophobicContact CD1-CD1 3.95Å; L114-L141 HydrophobicContact CD2-CD1 4.47Å; L114-L198 HydrophobicContact CD1-CD1 4.28Å; L114-L198 HydrophobicContact CD1-CD2 4.4Å; L114-I200 HydrophobicContact CD2-CD1 4.26Å; L114-I200 HydrophobicContact CG-CD1 4.29Å |
| 115 | L | 96.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 173.8 | -69.6 | 165.6 | 0 | 0 | 0 | 111.4 | R92 V94 P95 C111 N112 G118 L120 L122 | R92-L115 PolarHBondContact NH2-O 2.94Å; R92-L115 VanDerWaalsContact NH2-O 3.13Å; V94-L115 HydrophobicContact CG1-CB 4.18Å; V94-L115 WeakPolarHBondContact CG1-O 3.45Å; P95-L115 HydrophobicContact CG-CD2 4.19Å; P95-L115 WeakPolarHBondContact O-CB 3.4Å; P95-L115 WeakPolarHBondContact O-CD1 3.42Å; C111-L115 WeakPolarHBondContact O-CB 3.16Å; C111-L115 WeakPolarHBondContact O-CG 3.39Å; C111-L115 PolarHBondContact O-N 3.21Å; N112-L115 PolarHBondContact O-N 2.98Å; L115-G118 PolarHBondContact O-N 3.4Å; L115-L120 HydrophobicContact CD2-CB 3.62Å; L115-L120 HydrophobicContact CG-CB 4.04Å; L115-L122 HydrophobicContact CD2-CG 4.34Å |
| 116 | L | 96.4 | Very high | 95 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 174.7 | -72.7 | 168.7 | 0 | 0 | 0 | 112.2 | W89 R92 V94 N112 L113 G118 L289 V300 L311 W325 | W89-L116 HydrophobicContact CB-CD2 4.03Å; W89-L116 VanDerWaalsContact CD1-O 3.3Å; W89-L116 HydrophobicContact CD2-CD2 3.77Å; W89-L116 HydrophobicContact CE3-CD2 4.33Å; W89-L116 HydrophobicContact CG-CD2 3.62Å; W89-L116 PolarHBondContact NE1-O 3.32Å; R92-L116 PolarHBondContact NH2-O 3.24Å; V94-L116 HydrophobicContact CG1-CD2 4.14Å; N112-L116 WeakPolarHBondContact O-CB 3.43Å; N112-L116 VanDerWaalsContact O-CG 3.24Å; N112-L116 WeakPolarHBondContact O-CG 3.39Å; N112-L116 PolarHBondContact O-N 3.2Å; L113-L116 PolarHBondContact O-N 3.19Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 2.88Å; L116-L289 HydrophobicContact CB-CD1 3.65Å; L116-L289 HydrophobicContact CD1-CD2 4.37Å; L116-V300 HydrophobicContact CD1-CG1 4.21Å; L116-L311 HydrophobicContact CD1-CD1 4.4Å; L116-L311 HydrophobicContact CD1-CD2 4.11Å; L116-W325 HydrophobicContact CD1-CH2 3.93Å; L116-W325 HydrophobicContact CD1-CZ2 4.2Å |
| 117 | R | 95 | Very high | 95 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -32.4 | 172.2 | -72.3 | -176.9 | -178.2 | 176.4 | -2.3 | 112 | L113 L114 N199 L289 | L113-R117 HydrophobicContact CD2-CG 4.25Å; L113-R117 VanDerWaalsContact CD2-CZ 3.42Å; L113-R117 VanDerWaalsContact CD2-NE 3.3Å; L113-R117 WeakPolarHBondContact O-CG 3.42Å; L113-R117 PolarHBondContact O-N 3.23Å; L114-R117 PolarHBondContact O-N 3.33Å; R117-N199 PolarHBondContact NH1-O 3.44Å; R117-N199 PolarHBondContact NH2-O 2.92Å; R117-N199 VanDerWaalsContact NH2-O 3.17Å; R117-L289 HydrophobicContact CG-CD1 3.87Å; R117-L289 PolarHBondContact NH2-O 2.85Å |
| 118 | G | 93.8 | Very high | 95 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 32% | 0.32 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 13.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L114 L115 L116 L120 | L114-G118 PolarHBondContact O-N 2.89Å; L115-G118 PolarHBondContact O-N 3.4Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 2.88Å; G118-L120 VanDerWaalsContact C-N 3.31Å |
| 119 | D | 93.6 | Very high | 95 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -74.5 | -27.6 | 173.8 | -60.7 | -34.8 | 0 | 0 | 0 | 111 | L114 L141 | L114-D119 HydrophobicContact CB-CB 4.34Å; L114-D119 HydrophobicContact CD2-CB 3.98Å; L114-D119 PolarHBondContact O-N 3.4Å; D119-L141 HydrophobicContact CB-CD1 4.25Å |
| 120 | L | 95 | Very high | 94.8 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -113.2 | 153 | 169.4 | -70.5 | -178.4 | 0 | 0 | 0 | 110.7 | L114 L115 G118 M137 V138 L141 | L114-L120 HydrophobicContact CB-CB 4.23Å; L114-L120 HydrophobicContact CB-CD1 3.81Å; L114-L120 HydrophobicContact CB-CG 3.82Å; L114-L120 HydrophobicContact CD1-CD1 3.85Å; L114-L120 HydrophobicContact CD1-CG 4.22Å; L114-L120 PolarHBondContact O-N 2.99Å; L115-L120 HydrophobicContact CD2-CB 3.62Å; L115-L120 HydrophobicContact CG-CB 4.04Å; G118-L120 VanDerWaalsContact C-N 3.31Å; L120-M137 HydrophobicContact CD1-CB 4.45Å; L120-M137 HydrophobicContact CD2-CB 3.84Å; L120-V138 HydrophobicContact CD1-CG2 4.37Å; L120-L141 HydrophobicContact CD1-CD1 4.37Å; L120-L141 HydrophobicContact CD2-CD1 3.31Å; L120-L141 HydrophobicContact CD2-CG 3.85Å; L120-L141 HydrophobicContact CG-CD1 3.58Å |
| 121 | T | 94.5 | Very high | 94.6 | Very high | 112 Ų | 112 | 46.5 Ų | 46.5 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | trans | -142.1 | 139.2 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 122 | L | 94.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | trans | -106.8 | 153.2 | 166.7 | -65.9 | 174.1 | 0 | 0 | 0 | 109.4 | V84 P95 L115 T126 V129 M137 | V84-L122 HydrophobicContact CG2-CD1 4.19Å; P95-L122 HydrophobicContact CB-CB 4.48Å; P95-L122 HydrophobicContact CB-CD1 4.15Å; P95-L122 HydrophobicContact CG-CB 3.91Å; P95-L122 HydrophobicContact CG-CD1 4.18Å; P95-L122 HydrophobicContact CG-CG 4.28Å; L115-L122 HydrophobicContact CD2-CG 4.34Å; L122-T126 HydrophobicContact CD1-CG2 4.45Å; L122-V129 HydrophobicContact CD2-CG2 4.28Å; L122-M137 HydrophobicContact CD2-CE 3.78Å; L122-M137 HydrophobicContact CD2-SD 3.97Å | ||
| 123 | P | 94 | Very high | 94.1 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | trans | -52.8 | 144.1 | 172.4 | -24 | 33.3 | 0 | 0 | 0 | 111.4 | W86 T126 | W86-P123 VanDerWaalsContact CZ2-O 3.27Å; W86-P123 WeakPolarHBondContact CZ2-O 3.32Å; P123-T126 WeakPolarHBondContact CD-OG1 3.43Å; P123-T126 WeakPolarHBondContact O-CB 3.25Å; P123-T126 PolarHBondContact O-N 2.9Å; P123-T126 PolarHBondContact O-OG1 2.63Å | ||
| 124 | E | 91.1 | Very high | 93.9 | Very high | 164 Ų | 164 | 52.5 Ų | 52.5 | 77% | 0.766 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 144.1 | 172.7 | -63.9 | -177.1 | 171 | 0 | 0 | 110.2 | T126 | E124-T126 PolarHBondContact O-N 3.15Š|
| 125 | D | 90.4 | Very high | 93.7 | Very high | 141 Ų | 141 | 53.4 Ų | 53.4 | 75% | 0.754 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 16.6 | -178.6 | -51 | -40.3 | 0 | 0 | 0 | 115.7 | E127 | D125-E127 PolarHBondContact O-N 2.93Å; D125-E127 VanDerWaalsContact O-N 3.12Å |
| 126 | T | 94.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | trans | -61.5 | 117.2 | 168.5 | -59 | 0 | 0 | 0 | 0 | 109.4 | V84 W86 L122 P123 E124 V128 | V84-T126 VanDerWaalsContact CB-O 3.32Å; V84-T126 WeakPolarHBondContact CB-O 3.47Å; V84-T126 VanDerWaalsContact CG1-O 3.31Å; V84-T126 WeakPolarHBondContact CG1-O 3.49Å; V84-T126 HydrophobicContact CG2-CG2 4.13Å; W86-T126 PolarHBondContact NE1-O 3.26Å; L122-T126 HydrophobicContact CD1-CG2 4.45Å; P123-T126 WeakPolarHBondContact CD-OG1 3.43Å; P123-T126 WeakPolarHBondContact O-CB 3.25Å; P123-T126 PolarHBondContact O-N 2.9Å; P123-T126 PolarHBondContact O-OG1 2.63Å; E124-T126 PolarHBondContact O-N 3.15Å; T126-V128 VanDerWaalsContact CG2-O 3.3Å; T126-V128 WeakPolarHBondContact CG2-O 3.35Å | ||
| 127 | E | 94.6 | Very high | 93.4 | Very high | 145 Ų | 145 | 59.6 Ų | 59.6 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | trans | -92.8 | -25.9 | 176.5 | -63.9 | -175.7 | 167.1 | 0 | 0 | 112.5 | Q83 V84 D125 | Q83-E127 PolarHBondContact OE1-O 3.4Å; V84-E127 PolarHBondContact N-O 2.9Å; D125-E127 PolarHBondContact O-N 2.93Å; D125-E127 VanDerWaalsContact O-N 3.12Å | ||
| 128 | V | 94.6 | Very high | 93.4 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 38% | 0.376 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 142.4 | -172.1 | -129.2 | 0 | 0 | 0 | 0 | 110.9 | I81 H82 T126 | I81-V128 HydrophobicContact CG2-CB 4.15Å; I81-V128 HydrophobicContact CG2-CG1 3.14Å; H82-V128 WeakPolarHBondContact O-CA 3.18Å; H82-V128 VanDerWaalsContact O-CG1 3.29Å; H82-V128 WeakPolarHBondContact O-CG1 3.46Å; T126-V128 VanDerWaalsContact CG2-O 3.3Å; T126-V128 WeakPolarHBondContact CG2-O 3.35Å |
| 129 | V | 94.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.6 | 179.3 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | H82 V84 A97 L122 Q133 L134 | H82-V129 HydrophobicContact CB-CG1 3.97Å; H82-V129 PolarHBondContact N-O 3.46Å; H82-V129 PolarHBondContact O-N 2.8Å; V84-V129 HydrophobicContact CG2-CB 4Å; V84-V129 HydrophobicContact CG2-CG1 3.75Å; A97-V129 HydrophobicContact CB-CG1 4.22Å; L122-V129 HydrophobicContact CD2-CG2 4.28Å; V129-Q133 HydrophobicContact CG2-CB 4.24Å; V129-Q133 HydrophobicContact CG2-CG 4.29Å; V129-L134 HydrophobicContact CG1-CD1 4.1Å; V129-L134 HydrophobicContact CG1-CD2 4.03Å; V129-L134 HydrophobicContact CG1-CG 4.12Å; V129-L134 HydrophobicContact CG2-CD2 3.72Å; V129-L134 HydrophobicContact CG2-CG 3.91Å |
| 130 | A | 92.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 21% | 0.207 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 144.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | L80 T132 Q133 L134 | L80-A130 CarbonylContact O-C 3.44Å; A130-T132 PolarHBondContact O-N 2.79Å; A130-Q133 HydrophobicContact CB-CB 4.39Å; A130-Q133 WeakPolarHBondContact O-CB 3.34Å; A130-Q133 PolarHBondContact O-N 3.26Å; A130-L134 PolarHBondContact O-N 2.75Å; A130-L134 VanDerWaalsContact O-N 3.08Å |
| 131 | A | 91.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L80 L107 Q133 L134 I135 | L80-A131 HydrophobicContact CB-CB 4.03Å; L80-A131 PolarHBondContact O-N 2.99Å; L107-A131 HydrophobicContact CD2-CB 4.28Å; A131-Q133 VanDerWaalsContact C-N 3.31Å; A131-Q133 PolarHBondContact O-N 3.25Å; A131-L134 WeakPolarHBondContact O-CB 3.43Å; A131-L134 PolarHBondContact O-N 2.8Å; A131-I135 VanDerWaalsContact O-CG1 3.27Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å; A131-I135 PolarHBondContact O-N 3.22Å |
| 132 | T | 91.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 51 Ų | 51 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 174.8 | 50 | 0 | 0 | 0 | 0 | 112.4 | V77 A130 I135 N136 | V77-T132 HydrophobicContact CB-CG2 4.44Å; V77-T132 HydrophobicContact CG1-CG2 3.91Å; A130-T132 PolarHBondContact O-N 2.79Å; T132-I135 PolarHBondContact O-N 3.12Å; T132-N136 WeakPolarHBondContact O-CB 3.31Å; T132-N136 PolarHBondContact O-N 3.19Å; T132-N136 PolarHBondContact O-ND2 2.9Å |
| 133 | Q | 93.2 | Very high | 92.6 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 174.8 | -174.3 | -179.1 | -6.9 | 0 | 0 | 111.2 | V129 A130 A131 N136 M137 | V129-Q133 HydrophobicContact CG2-CB 4.24Å; V129-Q133 HydrophobicContact CG2-CG 4.29Å; A130-Q133 HydrophobicContact CB-CB 4.39Å; A130-Q133 WeakPolarHBondContact O-CB 3.34Å; A130-Q133 PolarHBondContact O-N 3.26Å; A131-Q133 VanDerWaalsContact C-N 3.31Å; A131-Q133 PolarHBondContact O-N 3.25Å; Q133-N136 PolarHBondContact O-N 2.7Å; Q133-M137 HydrophobicContact CG-CE 4.38Å; Q133-M137 WeakPolarHBondContact O-CG 3.32Å; Q133-M137 PolarHBondContact O-N 3.15Å |
| 134 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 175.2 | -67.5 | -178.4 | 0 | 0 | 0 | 111.8 | A97 L107 L108 C111 V129 A130 A131 N136 M137 V138 | A97-L134 HydrophobicContact CB-CD1 4.4Å; L107-L134 HydrophobicContact CD1-CB 4.29Å; L107-L134 HydrophobicContact CD2-CB 4.08Å; L107-L134 HydrophobicContact CD2-CD1 4.41Å; L107-L134 HydrophobicContact CG-CB 4.27Å; L108-L134 HydrophobicContact CD2-CD1 3.77Å; C111-L134 HydrophobicContact CB-CD2 4.27Å; V129-L134 HydrophobicContact CG1-CD1 4.1Å; V129-L134 HydrophobicContact CG1-CD2 4.03Å; V129-L134 HydrophobicContact CG1-CG 4.12Å; V129-L134 HydrophobicContact CG2-CD2 3.72Å; V129-L134 HydrophobicContact CG2-CG 3.91Å; A130-L134 PolarHBondContact O-N 2.75Å; A130-L134 VanDerWaalsContact O-N 3.08Å; A131-L134 WeakPolarHBondContact O-CB 3.43Å; A131-L134 PolarHBondContact O-N 2.8Å; L134-N136 PolarHBondContact O-N 2.94Å; L134-M137 HydrophobicContact CD2-CE 3.56Å; L134-M137 PolarHBondContact O-N 3.18Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.28Å |
| 135 | I | 93.1 | Very high | 91.7 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 177.4 | -71.2 | 164.7 | 0 | 0 | 0 | 111 | L107 A131 T132 M137 V138 G139 L167 | L107-I135 HydrophobicContact CD1-CG1 3.95Å; L107-I135 HydrophobicContact CD2-CD1 4.34Å; L107-I135 HydrophobicContact CD2-CG1 3.8Å; A131-I135 VanDerWaalsContact O-CG1 3.27Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å; A131-I135 PolarHBondContact O-N 3.22Å; T132-I135 PolarHBondContact O-N 3.12Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.1Å; I135-V138 PolarHBondContact O-N 3.05Å; I135-G139 PolarHBondContact O-N 3.28Å; I135-L167 HydrophobicContact CG2-CB 4.07Å |
| 136 | N | 93.1 | Very high | 90.9 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.1 | -43.8 | -179.9 | -70.8 | -20.8 | 0 | 0 | 0 | 111.5 | T132 Q133 L134 V138 G139 D140 | T132-N136 WeakPolarHBondContact O-CB 3.31Å; T132-N136 PolarHBondContact O-N 3.19Å; T132-N136 PolarHBondContact O-ND2 2.9Å; Q133-N136 PolarHBondContact O-N 2.7Å; L134-N136 PolarHBondContact O-N 2.94Å; N136-V138 PolarHBondContact O-N 2.97Å; N136-G139 PolarHBondContact O-N 3.01Å; N136-D140 PolarHBondContact O-N 3.24Å |
| 137 | M | 94.1 | Very high | 89.7 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 176.8 | -72.6 | -171.9 | -59 | 0 | 0 | 112.6 | L120 L122 Q133 L134 I135 L141 | L120-M137 HydrophobicContact CD1-CB 4.45Å; L120-M137 HydrophobicContact CD2-CB 3.84Å; L122-M137 HydrophobicContact CD2-CE 3.78Å; L122-M137 HydrophobicContact CD2-SD 3.97Å; Q133-M137 HydrophobicContact CG-CE 4.38Å; Q133-M137 WeakPolarHBondContact O-CG 3.32Å; Q133-M137 PolarHBondContact O-N 3.15Å; L134-M137 HydrophobicContact CD2-CE 3.56Å; L134-M137 PolarHBondContact O-N 3.18Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.1Å; M137-L141 PolarHBondContact O-N 3.13Å |
| 138 | V | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | L107 I110 C111 L114 L120 L134 I135 N136 D140 L141 V142 L167 I194 L198 | L107-V138 HydrophobicContact CD1-CG2 4.45Å; I110-V138 HydrophobicContact CG2-CG1 4.25Å; I110-V138 HydrophobicContact CG2-CG2 4.22Å; C111-V138 VanDerWaalsContact SG-CG2 3.5Å; L114-V138 HydrophobicContact CD1-CG2 4.35Å; L120-V138 HydrophobicContact CD1-CG2 4.37Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.28Å; I135-V138 PolarHBondContact O-N 3.05Å; N136-V138 PolarHBondContact O-N 2.97Å; V138-D140 PolarHBondContact O-N 3.25Å; V138-L141 PolarHBondContact O-N 2.88Å; V138-V142 HydrophobicContact CG1-CG2 4.38Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 2.82Å; V138-L167 HydrophobicContact CB-CD2 4.31Å; V138-L167 HydrophobicContact CG1-CD2 3.82Å; V138-I194 HydrophobicContact CG1-CD1 3.97Å; V138-L198 HydrophobicContact CG1-CD1 3.92Å |
| 139 | G | 92.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I135 N136 L141 V142 F143 M164 | I135-G139 PolarHBondContact O-N 3.28Å; N136-G139 PolarHBondContact O-N 3.01Å; G139-L141 VanDerWaalsContact C-N 3.33Å; G139-L141 PolarHBondContact O-N 3.39Å; G139-V142 PolarHBondContact O-N 2.81Å; G139-F143 WeakPolarHBondContact O-CB 3.39Å; G139-F143 PolarHBondContact O-N 2.53Å; G139-M164 WeakPolarHBondContact O-CE 3.32Å |
| 140 | D | 92.4 | Very high | 85.3 | Confident | 99 Ų | 99 | 56 Ų | 56 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.3 | -74 | -20.7 | 0 | 0 | 0 | 111.7 | N136 V138 F143 Q144 | N136-D140 PolarHBondContact O-N 3.24Å; V138-D140 PolarHBondContact O-N 3.25Å; D140-F143 PolarHBondContact O-N 2.81Å; D140-Q144 WeakPolarHBondContact O-CB 3.38Å; D140-Q144 VanDerWaalsContact O-CG 3.23Å; D140-Q144 WeakPolarHBondContact O-CG 3.2Å; D140-Q144 PolarHBondContact O-N 2.95Å |
| 141 | L | 92.2 | Very high | 83.6 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 12% | 0.12 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 175.8 | -77.5 | -176.8 | 0 | 0 | 0 | 112.6 | L114 D119 L120 M137 V138 G139 F143 Q144 Q145 L198 | L114-L141 HydrophobicContact CD1-CD1 3.95Å; L114-L141 HydrophobicContact CD2-CD1 4.47Å; D119-L141 HydrophobicContact CB-CD1 4.25Å; L120-L141 HydrophobicContact CD1-CD1 4.37Å; L120-L141 HydrophobicContact CD2-CD1 3.31Å; L120-L141 HydrophobicContact CD2-CG 3.85Å; L120-L141 HydrophobicContact CG-CD1 3.58Å; M137-L141 PolarHBondContact O-N 3.13Å; V138-L141 PolarHBondContact O-N 2.88Å; G139-L141 VanDerWaalsContact C-N 3.33Å; G139-L141 PolarHBondContact O-N 3.39Å; L141-F143 VanDerWaalsContact C-N 3.27Å; L141-F143 PolarHBondContact O-N 2.86Å; L141-Q144 PolarHBondContact O-N 2.78Å; L141-Q145 WeakPolarHBondContact O-CG 3.49Å; L141-Q145 PolarHBondContact O-N 2.88Å; L141-L198 HydrophobicContact CB-CD2 4.08Å |
| 142 | V | 89.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 176 | 170.7 | 0 | 0 | 0 | 0 | 110 | V138 G139 G146 V160 A163 M164 I194 L197 L198 | V138-V142 HydrophobicContact CG1-CG2 4.38Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 2.82Å; G139-V142 PolarHBondContact O-N 2.81Å; V142-G146 PolarHBondContact O-N 2.66Å; V142-V160 HydrophobicContact CG1-CG1 4.43Å; V142-A163 HydrophobicContact CG1-CB 3.96Å; V142-M164 HydrophobicContact CB-CE 4.49Å; V142-M164 HydrophobicContact CG1-CE 4.44Å; V142-I194 HydrophobicContact CG2-CG1 4.3Å; V142-L197 HydrophobicContact CG1-CD1 3.74Å; V142-L198 HydrophobicContact CG2-CD1 4.28Å; V142-L198 HydrophobicContact CG2-CD2 3.86Å; V142-L198 HydrophobicContact CG2-CG 4.03Å |
| 143 | F | 87.3 | Confident | 80.8 | Confident | 107 Ų | 107 | 78.8 Ų | 78.8 | 47% | 0.469 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 178.5 | -172.2 | -97.3 | 0 | 0 | 0 | 112.9 | G139 D140 L141 G146 M147 M164 | G139-F143 WeakPolarHBondContact O-CB 3.39Å; G139-F143 PolarHBondContact O-N 2.53Å; D140-F143 PolarHBondContact O-N 2.81Å; L141-F143 VanDerWaalsContact C-N 3.27Å; L141-F143 PolarHBondContact O-N 2.86Å; F143-G146 WeakPolarHBondContact O-CA 3.41Å; F143-G146 PolarHBondContact O-N 2.84Å; F143-G146 VanDerWaalsContact O-N 3.13Å; F143-M147 HydrophobicContact CE1-CE 4.3Å; F143-M147 HydrophobicContact CE1-CG 4.24Å; F143-M147 HydrophobicContact CE2-CE 3.93Å; F143-M147 HydrophobicContact CZ-CE 3.75Å; F143-M147 PolarHBondContact O-N 3.15Å; F143-M147 VanDerWaalsContact O-N 3.16Å; F143-M164 HydrophobicContact CB-CE 3.83Å; F143-M164 HydrophobicContact CD2-CE 4.44Å |
| 144 | Q | 86.1 | Confident | 79.5 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 177.9 | -74.2 | 172.6 | 26.3 | 0 | 0 | 112.1 | D140 L141 G146 M147 A148 | D140-Q144 WeakPolarHBondContact O-CB 3.38Å; D140-Q144 VanDerWaalsContact O-CG 3.23Å; D140-Q144 WeakPolarHBondContact O-CG 3.2Å; D140-Q144 PolarHBondContact O-N 2.95Å; L141-Q144 PolarHBondContact O-N 2.78Å; Q144-G146 PolarHBondContact O-N 2.96Å; Q144-M147 PolarHBondContact O-N 3.41Å; Q144-M147 VanDerWaalsContact O-N 3.12Å; Q144-A148 PolarHBondContact O-N 2.75Å |
| 145 | Q | 80.9 | Confident | 78.7 | Confident | 44 Ų | 44 | 86.4 Ų | 86.4 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 172.9 | -70.9 | 180 | -19.1 | 0 | 0 | 111 | L141 M147 A148 Y156 L197 | L141-Q145 WeakPolarHBondContact O-CG 3.49Å; L141-Q145 PolarHBondContact O-N 2.88Å; Q145-M147 VanDerWaalsContact C-N 3.28Å; Q145-M147 PolarHBondContact O-N 3Å; Q145-A148 PolarHBondContact O-N 2.78Å; Q145-Y156 VanDerWaalsContact O-CE1 3.25Å; Q145-Y156 WeakPolarHBondContact O-CE1 3.41Å; Q145-Y156 PolarHBondContact O-OH 2.82Å; Q145-L197 PolarHBondContact OE1-O 3.28Å |
| 146 | G | 72.3 | Confident | 77.9 | Confident | 12 Ų | 12 | 86.7 Ų | 86.7 | 12% | 0.124 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -39.9 | -50.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V142 F143 Q144 Y156 | V142-G146 PolarHBondContact O-N 2.66Å; F143-G146 WeakPolarHBondContact O-CA 3.41Å; F143-G146 PolarHBondContact O-N 2.84Å; F143-G146 VanDerWaalsContact O-N 3.13Å; Q144-G146 PolarHBondContact O-N 2.96Å; G146-Y156 VanDerWaalsContact C-CE1 3.46Å; G146-Y156 PolarHBondContact N-OH 3.44Å; G146-Y156 VanDerWaalsContact O-CD1 3.27Å; G146-Y156 WeakPolarHBondContact O-CD1 3.07Å; G146-Y156 WeakPolarHBondContact O-CE1 3.14Å |
| 147 | M | 71 | Confident | 77.4 | Confident | 110 Ų | 110 | 85.7 Ų | 85.7 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -84.6 | -28 | -173.1 | -65.5 | -66.4 | 137 | 0 | 0 | 113.6 | F143 Q144 Q145 | F143-M147 HydrophobicContact CE1-CE 4.3Å; F143-M147 HydrophobicContact CE1-CG 4.24Å; F143-M147 HydrophobicContact CE2-CE 3.93Å; F143-M147 HydrophobicContact CZ-CE 3.75Å; F143-M147 PolarHBondContact O-N 3.15Å; F143-M147 VanDerWaalsContact O-N 3.16Å; Q144-M147 PolarHBondContact O-N 3.41Å; Q144-M147 VanDerWaalsContact O-N 3.12Å; Q145-M147 VanDerWaalsContact C-N 3.28Å; Q145-M147 PolarHBondContact O-N 3Å |
| 148 | A | 69.8 | Low | 77 | Confident | 80 Ų | 80 | 89 Ų | 89 | 66% | 0.661 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.5 | -32.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q144 Q145 Q150 | Q144-A148 PolarHBondContact O-N 2.75Å; Q145-A148 PolarHBondContact O-N 2.78Å; A148-Q150 PolarHBondContact O-N 2.84Å; A148-Q150 VanDerWaalsContact O-N 3.17Å |
| 149 | K | 64.1 | Low | 76.6 | Confident | 96 Ų | 96 | 91.2 Ų | 91.2 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | trans | -90.3 | 69.8 | -176.6 | -66.8 | -177.9 | -176.7 | 167.8 | 0 | 111.4 | R151 Y156 | K149-R151 PolarHBondContact O-N 3.3Å; K149-Y156 HydrophobicContact CB-CD1 4.44Å; K149-Y156 HydrophobicContact CB-CE1 3.96Å; K149-Y156 HydrophobicContact CD-CE2 4.15Å | ||
| 150 | Q | 56.8 | Low | 76.3 | Confident | 172 Ų | 172 | 91.8 Ų | 91.8 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -63.2 | -9.9 | -175.7 | -67.6 | -169.5 | -18.5 | 0 | 0 | 116.6 | A148 | A148-Q150 PolarHBondContact O-N 2.84Å; A148-Q150 VanDerWaalsContact O-N 3.17Å |
| 151 | R | 56.8 | Low | 76.1 | Confident | 238 Ų | 238 | 95 Ų | 95 | 90% | 0.898 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -81.8 | -18.7 | -165.6 | -75 | -176.5 | 179.1 | 163 | 0.4 | 115.8 | K149 | K149-R151 PolarHBondContact O-N 3.3Š|
| 152 | H | 60.4 | Low | 75.8 | Confident | 135 Ų | 135 | 95.7 Ų | 95.7 | 63% | 0.625 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -140 | 59.3 | -178.2 | -78 | -89.2 | 0 | 0 | 0 | 111.3 | L154 Y156 | H152-L154 PolarHBondContact O-N 3.22Å; H152-Y156 VanDerWaalsContact O-CB 3.24Å; H152-Y156 WeakPolarHBondContact O-CB 3.29Å; H152-Y156 PolarHBondContact O-N 2.89Å; H152-Y156 VanDerWaalsContact O-N 3.15Å |
| 153 | R | 64.2 | Low | 75.8 | Confident | 176 Ų | 176 | 95.8 Ų | 95.8 | 66% | 0.664 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -56 | -42.8 | -165.2 | -170.8 | 174.9 | 178 | -170.4 | -3.7 | 114.8 | E157 | R153-E157 HydrophobicContact CG-CG 4.19Å; R153-E157 WeakPolarHBondContact CG-OE1 3.39Å; R153-E157 IonicContact CZ-OE1 2.72Å; R153-E157 VanDerWaalsContact CZ-OE1 3.32Å; R153-E157 IonicContact NE-OE1 2.82Å; R153-E157 PolarHBondContact NE-OE1 3.08Å; R153-E157 IonicContact NH2-OE1 3.73Å; R153-E157 PolarHBondContact NH2-OE1 3.47Å; R153-E157 VanDerWaalsContact NH2-OE1 3.09Å; R153-E157 VanDerWaalsContact O-CB 3.29Å; R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 VanDerWaalsContact O-CG 3.22Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.18Å |
| 154 | L | 64 | Low | 75.9 | Confident | 135 Ų | 135 | 93.9 Ų | 93.9 | 71% | 0.707 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -72.1 | -48.9 | -173.7 | -67.8 | 174.6 | 0 | 0 | 0 | 112.9 | H152 Y156 E157 Q158 | H152-L154 PolarHBondContact O-N 3.22Å; L154-Y156 PolarHBondContact O-N 3Å; L154-E157 PolarHBondContact O-N 2.92Å; L154-Q158 PolarHBondContact O-N 2.98Å; L154-Q158 VanDerWaalsContact O-N 3.16Å |
| 155 | D | 76.8 | Confident | 76.1 | Confident | 108 Ų | 108 | 91.4 Ų | 91.4 | 58% | 0.578 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61 | -37 | 177.2 | -55.1 | -23.3 | 0 | 0 | 0 | 110.2 | N159 | D155-N159 PolarHBondContact O-N 3.21Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 PolarHBondContact O-OD1 3.04Å; D155-N159 VanDerWaalsContact O-OD1 3.09Å |
| 156 | Y | 77.5 | Confident | 76.5 | Confident | 24 Ų | 24 | 89.3 Ų | 89.3 | 9% | 0.094 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -77 | -35.4 | -178.5 | -159.4 | -119.8 | 0 | 0 | 0 | 113.6 | Q145 G146 K149 H152 L154 Q158 N159 V160 L197 | Q145-Y156 VanDerWaalsContact O-CE1 3.25Å; Q145-Y156 WeakPolarHBondContact O-CE1 3.41Å; Q145-Y156 PolarHBondContact O-OH 2.82Å; G146-Y156 VanDerWaalsContact C-CE1 3.46Å; G146-Y156 PolarHBondContact N-OH 3.44Å; G146-Y156 VanDerWaalsContact O-CD1 3.27Å; G146-Y156 WeakPolarHBondContact O-CD1 3.07Å; G146-Y156 WeakPolarHBondContact O-CE1 3.14Å; K149-Y156 HydrophobicContact CB-CD1 4.44Å; K149-Y156 HydrophobicContact CB-CE1 3.96Å; K149-Y156 HydrophobicContact CD-CE2 4.15Å; H152-Y156 VanDerWaalsContact O-CB 3.24Å; H152-Y156 WeakPolarHBondContact O-CB 3.29Å; H152-Y156 PolarHBondContact O-N 2.89Å; H152-Y156 VanDerWaalsContact O-N 3.15Å; L154-Y156 PolarHBondContact O-N 3Å; Y156-Q158 VanDerWaalsContact C-N 3.32Å; Y156-N159 PolarHBondContact O-N 3.39Å; Y156-V160 HydrophobicContact CD1-CG2 4.43Å; Y156-V160 HydrophobicContact CE1-CG2 4.42Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.34Å; Y156-V160 PolarHBondContact O-N 3.23Å; Y156-L197 HydrophobicContact CD2-CD2 3.96Å; Y156-L197 HydrophobicContact CE2-CD2 3.18Å |
| 157 | E | 82.7 | Confident | 77.3 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 172.5 | -82.4 | 176.8 | 175.4 | 0 | 0 | 110.9 | R153 L154 V160 Y161 | R153-E157 HydrophobicContact CG-CG 4.19Å; R153-E157 WeakPolarHBondContact CG-OE1 3.39Å; R153-E157 IonicContact CZ-OE1 2.72Å; R153-E157 VanDerWaalsContact CZ-OE1 3.32Å; R153-E157 IonicContact NE-OE1 2.82Å; R153-E157 PolarHBondContact NE-OE1 3.08Å; R153-E157 IonicContact NH2-OE1 3.73Å; R153-E157 PolarHBondContact NH2-OE1 3.47Å; R153-E157 VanDerWaalsContact NH2-OE1 3.09Å; R153-E157 VanDerWaalsContact O-CB 3.29Å; R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 VanDerWaalsContact O-CG 3.22Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.18Å; L154-E157 PolarHBondContact O-N 2.92Å; E157-V160 PolarHBondContact O-N 3.45Å; E157-Y161 PolarHBondContact O-N 3.44Å |
| 158 | Q | 84.4 | Confident | 78 | Confident | 102 Ų | 102 | 86.8 Ų | 86.8 | 48% | 0.477 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 173.1 | -173.4 | 61.7 | 40.6 | 0 | 0 | 111.1 | L154 Y156 V160 Y161 D162 | L154-Q158 PolarHBondContact O-N 2.98Å; L154-Q158 VanDerWaalsContact O-N 3.16Å; Y156-Q158 VanDerWaalsContact C-N 3.32Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 3.3Å; Q158-Y161 WeakPolarHBondContact O-CB 3.33Å; Q158-Y161 PolarHBondContact O-N 2.98Å; Q158-Y161 VanDerWaalsContact O-N 3.15Å; Q158-D162 PolarHBondContact NE2-OD1 2.72Å; Q158-D162 VanDerWaalsContact O-CG 3.29Å; Q158-D162 PolarHBondContact O-N 3.46Å |
| 159 | N | 85.5 | Confident | 78.9 | Confident | 47 Ų | 47 | 87.3 Ų | 87.3 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 179.5 | -67.7 | -6.8 | 0 | 0 | 0 | 112.7 | D155 Y156 A163 I193 L197 | D155-N159 PolarHBondContact O-N 3.21Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 PolarHBondContact O-OD1 3.04Å; D155-N159 VanDerWaalsContact O-OD1 3.09Å; Y156-N159 PolarHBondContact O-N 3.39Å; N159-A163 WeakPolarHBondContact O-CB 3.42Å; N159-A163 PolarHBondContact O-N 3.42Å; N159-I193 VanDerWaalsContact CA-CD1 3.43Å; N159-I193 HydrophobicContact CB-CD1 3.47Å; N159-I193 VanDerWaalsContact CB-CD1 3.47Å; N159-I193 HydrophobicContact CB-CG1 4.07Å; N159-I193 WeakPolarHBondContact OD1-CD1 3.27Å; N159-L197 HydrophobicContact CB-CD2 4.27Å |
| 160 | V | 86.9 | Confident | 80 | Confident | 18 Ų | 18 | 82.8 Ų | 82.8 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | V142 Y156 E157 Q158 A163 M164 L197 | V142-V160 HydrophobicContact CG1-CG1 4.43Å; Y156-V160 HydrophobicContact CD1-CG2 4.43Å; Y156-V160 HydrophobicContact CE1-CG2 4.42Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.34Å; Y156-V160 PolarHBondContact O-N 3.23Å; E157-V160 PolarHBondContact O-N 3.45Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 3.3Å; V160-A163 PolarHBondContact O-N 2.88Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 VanDerWaalsContact O-CG 3.23Å; V160-M164 WeakPolarHBondContact O-CG 3.3Å; V160-M164 PolarHBondContact O-N 3.08Å; V160-L197 HydrophobicContact CG2-CD1 4.36Å |
| 161 | Y | 87.6 | Confident | 81.4 | Confident | 165 Ų | 165 | 75.5 Ų | 75.5 | 65% | 0.647 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 176 | -179.3 | -92.9 | 0 | 0 | 0 | 111.7 | E157 Q158 A163 M164 S165 | E157-Y161 PolarHBondContact O-N 3.44Å; Q158-Y161 WeakPolarHBondContact O-CB 3.33Å; Q158-Y161 PolarHBondContact O-N 2.98Å; Q158-Y161 VanDerWaalsContact O-N 3.15Å; Y161-A163 VanDerWaalsContact C-N 3.34Å; Y161-A163 PolarHBondContact O-N 2.76Å; Y161-M164 PolarHBondContact O-N 3.27Å; Y161-S165 PolarHBondContact O-N 2.8Å |
| 162 | D | 87.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.4 | -66.1 | -15.9 | 0 | 0 | 0 | 110.5 | Q158 M164 S165 V166 I193 | Q158-D162 PolarHBondContact NE2-OD1 2.72Å; Q158-D162 VanDerWaalsContact O-CG 3.29Å; Q158-D162 PolarHBondContact O-N 3.46Å; D162-M164 PolarHBondContact O-N 3.22Å; D162-S165 PolarHBondContact O-N 2.9Å; D162-S165 PolarHBondContact O-OG 2.83Å; D162-V166 WeakPolarHBondContact O-CG2 3.24Å; D162-V166 PolarHBondContact O-N 3.42Å; D162-I193 HydrophobicContact CB-CD1 4.2Å |
| 163 | A | 88.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V142 N159 V160 Y161 S165 V166 L167 I193 L197 | V142-A163 HydrophobicContact CG1-CB 3.96Å; N159-A163 WeakPolarHBondContact O-CB 3.42Å; N159-A163 PolarHBondContact O-N 3.42Å; V160-A163 PolarHBondContact O-N 2.88Å; Y161-A163 VanDerWaalsContact C-N 3.34Å; Y161-A163 PolarHBondContact O-N 2.76Å; A163-S165 VanDerWaalsContact C-N 3.27Å; A163-S165 PolarHBondContact O-N 2.8Å; A163-V166 PolarHBondContact O-N 2.87Å; A163-V166 VanDerWaalsContact O-N 3.1Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.14Å; A163-I193 HydrophobicContact CB-CG2 3.8Å; A163-L197 HydrophobicContact CB-CD1 3.56Å |
| 164 | M | 89.2 | Confident | 85.1 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 34% | 0.335 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -35.4 | 178.7 | -71.7 | -70.3 | -178.3 | 0 | 0 | 112 | G139 V142 F143 V160 Y161 D162 V166 L167 | G139-M164 WeakPolarHBondContact O-CE 3.32Å; V142-M164 HydrophobicContact CB-CE 4.49Å; V142-M164 HydrophobicContact CG1-CE 4.44Å; F143-M164 HydrophobicContact CB-CE 3.83Å; F143-M164 HydrophobicContact CD2-CE 4.44Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 VanDerWaalsContact O-CG 3.23Å; V160-M164 WeakPolarHBondContact O-CG 3.3Å; V160-M164 PolarHBondContact O-N 3.08Å; Y161-M164 PolarHBondContact O-N 3.27Å; D162-M164 PolarHBondContact O-N 3.22Å; M164-V166 VanDerWaalsContact C-N 3.28Å; M164-V166 PolarHBondContact O-N 2.91Å; M164-L167 PolarHBondContact O-N 2.91Å; M164-L167 HydrophobicContact SD-CD1 3.52Å; M164-L167 VanDerWaalsContact SD-CD1 3.52Å |
| 165 | S | 89.4 | Confident | 86.2 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.9 | -25.2 | 175.8 | 80.3 | 0 | 0 | 0 | 0 | 113.5 | Y161 D162 A163 | Y161-S165 PolarHBondContact O-N 2.8Å; D162-S165 PolarHBondContact O-N 2.9Å; D162-S165 PolarHBondContact O-OG 2.83Å; A163-S165 VanDerWaalsContact C-N 3.27Å; A163-S165 PolarHBondContact O-N 2.8Å |
| 166 | V | 89.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -85.9 | -26.4 | 179.7 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | D162 A163 M164 P168 K169 L170 L174 P190 E191 | D162-V166 WeakPolarHBondContact O-CG2 3.24Å; D162-V166 PolarHBondContact O-N 3.42Å; A163-V166 PolarHBondContact O-N 2.87Å; A163-V166 VanDerWaalsContact O-N 3.1Å; M164-V166 VanDerWaalsContact C-N 3.28Å; M164-V166 PolarHBondContact O-N 2.91Å; V166-P168 VanDerWaalsContact C-CD 3.47Å; V166-P168 VanDerWaalsContact O-N 3.17Å; V166-K169 WeakPolarHBondContact O-CA 3.47Å; V166-K169 VanDerWaalsContact O-CB 3.27Å; V166-K169 WeakPolarHBondContact O-CB 3.3Å; V166-K169 PolarHBondContact O-N 3.46Å; V166-L170 PolarHBondContact O-N 2.88Å; V166-L174 HydrophobicContact CG1-CD1 3.81Å; V166-P190 HydrophobicContact CG2-CB 4.46Å; V166-E191 HydrophobicContact CG1-CB 4.48Å; V166-E191 HydrophobicContact CG1-CG 4.3Å; V166-E191 HydrophobicContact CG2-CG 4.48Å |
| 167 | L | 89 | Confident | 87.7 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -47.9 | -45.6 | -175.3 | -77.6 | 175.5 | 0 | 0 | 0 | 114.7 | I135 V138 A163 M164 K169 L170 I194 | I135-L167 HydrophobicContact CG2-CB 4.07Å; V138-L167 HydrophobicContact CB-CD2 4.31Å; V138-L167 HydrophobicContact CG1-CD2 3.82Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.14Å; M164-L167 PolarHBondContact O-N 2.91Å; M164-L167 HydrophobicContact SD-CD1 3.52Å; M164-L167 VanDerWaalsContact SD-CD1 3.52Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 3.32Å; L167-L170 HydrophobicContact CD2-CD1 3.84Å; L167-L170 WeakPolarHBondContact O-CB 3.48Å; L167-L170 PolarHBondContact O-N 3.35Å; L167-I194 HydrophobicContact CD2-CD1 3.61Å |
| 168 | P | 87.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -61.9 | -36.5 | 177.4 | -23.1 | 35.4 | 0 | 0 | 0 | 112.7 | V166 L170 S171 | V166-P168 VanDerWaalsContact C-CD 3.47Å; V166-P168 VanDerWaalsContact O-N 3.17Å; P168-L170 PolarHBondContact O-N 2.94Å; P168-S171 PolarHBondContact O-N 3.21Å; P168-S171 PolarHBondContact O-OG 3.41Å |
| 169 | K | 88.1 | Confident | 88.8 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -62.7 | -30.4 | -179.8 | -58.4 | -175.1 | -176.1 | -178.4 | 0 | 112.1 | V166 L167 S171 T172 G173 E191 | V166-K169 WeakPolarHBondContact O-CA 3.47Å; V166-K169 VanDerWaalsContact O-CB 3.27Å; V166-K169 WeakPolarHBondContact O-CB 3.3Å; V166-K169 PolarHBondContact O-N 3.46Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 3.32Å; K169-S171 PolarHBondContact O-N 3.28Å; K169-T172 PolarHBondContact O-N 2.93Å; K169-T172 PolarHBondContact O-OG1 3.22Å; K169-G173 CarbonylContact C-O 3.57Å; K169-G173 CarbonylContact O-C 3.48Å; K169-G173 PolarHBondContact O-N 2.78Å; K169-E191 IonicContact NZ-OE1 3.9Å; K169-E191 PolarHBondContact NZ-OE1 3.27Å |
| 170 | L | 87.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -58.8 | -23.3 | 179.5 | -61.7 | 168.2 | 0 | 0 | 0 | 113.7 | P106 L107 I110 V166 L167 P168 L174 I194 | P106-L170 HydrophobicContact CB-CD2 3.97Å; L107-L170 HydrophobicContact CB-CB 3.9Å; L107-L170 WeakPolarHBondContact CB-O 3.5Å; L107-L170 HydrophobicContact CD1-CB 4.43Å; L107-L170 PolarHBondContact N-O 3.06Å; I110-L170 HydrophobicContact CD1-CD1 4.29Å; I110-L170 HydrophobicContact CD1-CD2 4.07Å; V166-L170 PolarHBondContact O-N 2.88Å; L167-L170 HydrophobicContact CD2-CD1 3.84Å; L167-L170 WeakPolarHBondContact O-CB 3.48Å; L167-L170 PolarHBondContact O-N 3.35Å; P168-L170 PolarHBondContact O-N 2.94Å; L170-L174 HydrophobicContact CD2-CD1 3.82Å; L170-L174 HydrophobicContact CD2-CD2 4.05Å; L170-L174 HydrophobicContact CD2-CG 4.38Å; L170-I194 HydrophobicContact CD1-CD1 3.42Å; L170-I194 VanDerWaalsContact CD1-CD1 3.42Å |
| 171 | S | 85 | Confident | 89.4 | Confident | 19 Ų | 19 | 48 Ų | 48 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -79.7 | -25.7 | 176.1 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | G103 P104 P168 K169 | G103-S171 CarbonylContact C-O 3.55Å; P104-S171 WeakPolarHBondContact CA-O 3.15Å; P168-S171 PolarHBondContact O-N 3.21Å; P168-S171 PolarHBondContact O-OG 3.41Å; K169-S171 PolarHBondContact O-N 3.28Å |
| 172 | T | 84.9 | Confident | 89.7 | Confident | 107 Ų | 107 | 40.8 Ų | 40.8 | 66% | 0.656 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -29 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 113 | G103 K169 | G103-T172 WeakPolarHBondContact CA-O 3.31Å; K169-T172 PolarHBondContact O-N 2.93Å; K169-T172 PolarHBondContact O-OG1 3.22Å |
| 173 | G | 85.1 | Confident | 90 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | trans | 148.6 | 150.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K169 | K169-G173 CarbonylContact C-O 3.57Å; K169-G173 CarbonylContact O-C 3.48Å; K169-G173 PolarHBondContact O-N 2.78Å | ||
| 174 | L | 88.6 | Confident | 90.3 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | trans | -121.5 | 121.8 | 179.8 | -166.7 | 71.8 | 0 | 0 | 0 | 109.9 | P106 V166 L170 V176 E191 F195 F298 | P106-L174 HydrophobicContact CB-CB 3.78Å; P106-L174 HydrophobicContact CB-CD2 4.3Å; P106-L174 HydrophobicContact CG-CB 3.6Å; V166-L174 HydrophobicContact CG1-CD1 3.81Å; L170-L174 HydrophobicContact CD2-CD1 3.82Å; L170-L174 HydrophobicContact CD2-CD2 4.05Å; L170-L174 HydrophobicContact CD2-CG 4.38Å; L174-V176 HydrophobicContact CD2-CG1 4.42Å; L174-E191 HydrophobicContact CD1-CB 3.48Å; L174-E191 VanDerWaalsContact CD1-CB 3.48Å; L174-E191 HydrophobicContact CD1-CG 3.52Å; L174-E191 HydrophobicContact CG-CB 3.97Å; L174-E191 HydrophobicContact CG-CG 4.29Å; L174-F195 HydrophobicContact CD2-CE2 3.55Å; L174-F195 HydrophobicContact CD2-CZ 3.85Å; L174-F298 HydrophobicContact CB-CE2 4.12Å; L174-F298 HydrophobicContact CB-CZ 4.09Å; L174-F298 HydrophobicContact CD2-CE1 4.41Å; L174-F298 HydrophobicContact CD2-CZ 4.17Å | ||
| 175 | D | 88.3 | Confident | 90.6 | Very high | 132 Ų | 132 | 43.2 Ų | 43.2 | 71% | 0.706 | 24% | 0.238 | S | C | * | . | trans | -79.2 | 122.7 | 176.8 | -67.1 | -34.4 | 0 | 0 | 0 | 110 | ||||
| 176 | V | 91.9 | Very high | 90.8 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | trans | -127.5 | 139.9 | 174.5 | -67.5 | 0 | 0 | 0 | 0 | 109.4 | L174 F186 L202 F293 F298 | L174-V176 HydrophobicContact CD2-CG1 4.42Å; V176-F186 HydrophobicContact CB-CD1 4.25Å; V176-F186 HydrophobicContact CB-CE1 4.42Å; V176-L202 HydrophobicContact CG1-CD2 4.36Å; V176-F293 HydrophobicContact CG2-CD1 3.81Å; V176-F293 HydrophobicContact CG2-CD2 3.52Å; V176-F293 HydrophobicContact CG2-CE1 3.7Å; V176-F293 HydrophobicContact CG2-CE2 3.37Å; V176-F293 HydrophobicContact CG2-CG 3.72Å; V176-F293 HydrophobicContact CG2-CZ 3.47Å; V176-F293 VanDerWaalsContact CG2-CZ 3.47Å; V176-F298 HydrophobicContact CB-CZ 4.49Å; V176-F298 HydrophobicContact CG1-CE1 4.07Å; V176-F298 HydrophobicContact CG1-CZ 3.73Å; V176-F298 HydrophobicContact CG2-CE1 4.49Å; V176-F298 HydrophobicContact CG2-CZ 3.91Å | ||
| 177 | N | 93.9 | Very high | 91 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | trans | -116.7 | 104.5 | 177.6 | -169.7 | 14.9 | 0 | 0 | 0 | 109.7 | F186 E187 S223 Y224 N225 | N177-F186 CarbonylContact O-C 3.58Å; N177-F186 WeakPolarHBondContact O-CA 3.43Å; N177-E187 HydrophobicContact CB-CB 3.97Å; N177-E187 PolarHBondContact ND2-OE2 3.48Å; N177-E187 PolarHBondContact O-N 2.89Å; N177-S223 VanDerWaalsContact ND2-CB 3.27Å; N177-S223 WeakPolarHBondContact ND2-CB 3.27Å; N177-S223 PolarHBondContact ND2-OG 3.31Å; N177-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N177-Y224 PolarHBondContact OD1-N 3.35Å; N177-Y224 VanDerWaalsContact OD1-N 3.08Å; N177-N225 PolarHBondContact ND2-ND2 3.43Å; N177-N225 PolarHBondContact OD1-N 2.87Å; N177-N225 VanDerWaalsContact OD1-N 3.13Å | ||
| 178 | V | 94.7 | Very high | 91 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 153.4 | -176 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | F180 F186 H204 W206 S223 Y224 F293 | V178-F180 HydrophobicContact CG2-CE1 3.98Å; V178-F180 HydrophobicContact CG2-CZ 4.35Å; V178-F186 HydrophobicContact CG1-CD1 3.95Å; V178-F186 HydrophobicContact CG1-CE1 3.62Å; V178-F186 HydrophobicContact CG1-CZ 4.5Å; V178-H204 HydrophobicContact CG1-CB 4.19Å; V178-W206 HydrophobicContact CG2-CE3 3.73Å; V178-W206 HydrophobicContact CG2-CZ3 4.23Å; V178-S223 CarbonylContact O-C 3.44Å; V178-S223 WeakPolarHBondContact O-CA 3.24Å; V178-Y224 PolarHBondContact O-N 2.83Å; V178-F293 HydrophobicContact CG1-CD1 3.87Å; V178-F293 HydrophobicContact CG1-CE1 4.1Å |
| 179 | K | 95.2 | Very high | 91 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 24% | 0.239 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 134.3 | 166.2 | -66.2 | -179.4 | 177.9 | 174.2 | 0 | 110 | K181 E185 H204 | K179-K181 PolarHBondContact O-N 3.27Å; K179-E185 HydrophobicContact CB-CB 3.82Å; K179-E185 PolarHBondContact N-O 3.28Å; K179-H204 PolarHBondContact O-CE1 3.11Å; K179-H204 PolarHBondContact O-NE2 3.5Å |
| 180 | F | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 16.3 | -168.4 | -48.6 | -78.3 | 0 | 0 | 0 | 115.2 | V178 W206 I207 S208 V219 L222 Y224 L227 F264 F265 | V178-F180 HydrophobicContact CG2-CE1 3.98Å; V178-F180 HydrophobicContact CG2-CZ 4.35Å; F180-W206 HydrophobicContact CD1-CD2 4.17Å; F180-W206 HydrophobicContact CD1-CG 4.04Å; F180-W206 WeakPolarHBondContact CD1-O 3.29Å; F180-W206 AromaticContact CE1-CD2 3.63Å; F180-W206 HydrophobicContact CE1-CD2 3.63Å; F180-W206 AromaticContact CE1-CE2 3.78Å; F180-W206 AromaticContact CE1-CE3 3.92Å; F180-W206 HydrophobicContact CE1-CE3 3.92Å; F180-W206 AromaticContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CH2 4.46Å; F180-W206 HydrophobicContact CE1-CZ2 4.24Å; F180-W206 HydrophobicContact CE1-CZ3 4.29Å; F180-I207 WeakPolarHBondContact O-CG2 3.35Å; F180-S208 PolarHBondContact O-N 3.17Å; F180-S208 PolarHBondContact O-OG 3.06Å; F180-V219 HydrophobicContact CB-CG1 3.5Å; F180-V219 VanDerWaalsContact CB-CG1 3.5Å; F180-V219 HydrophobicContact CD2-CG1 3.29Å; F180-V219 HydrophobicContact CE2-CG1 4.2Å; F180-V219 HydrophobicContact CG-CG1 3.62Å; F180-L222 WeakPolarHBondContact CD2-O 3.42Å; F180-Y224 HydrophobicContact CZ-CD2 4.2Å; F180-L227 HydrophobicContact CD2-CD2 4.12Å; F180-L227 HydrophobicContact CE2-CB 4.04Å; F180-L227 HydrophobicContact CE2-CD2 3.5Å; F180-L227 VanDerWaalsContact CE2-CD2 3.5Å; F180-L227 HydrophobicContact CE2-CG 4.4Å; F180-L227 HydrophobicContact CZ-CD2 3.94Å; F180-F264 HydrophobicContact CB-CZ 4.4Å; F180-F264 AromaticContact CD1-CE1 3.5Å; F180-F264 HydrophobicContact CD1-CE1 3.5Å; F180-F264 VanDerWaalsContact CD1-CE1 3.5Å; F180-F264 AromaticContact CD1-CZ 3.67Å; F180-F264 HydrophobicContact CD1-CZ 3.67Å; F180-F264 AromaticContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CZ 4.22Å; F180-F264 AromaticContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CZ 4.19Å; F180-F264 HydrophobicContact CZ-CE1 4.26Å; F180-F265 HydrophobicContact CE1-CE1 4.37Å; F180-F265 AromaticContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CZ 4.38Å |
| 181 | K | 91.7 | Very high | 90.8 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -30.2 | -173.2 | -178.5 | -176.9 | 172.9 | -163.7 | 0 | 113 | K179 E185 N221 | K179-K181 PolarHBondContact O-N 3.27Å; K181-E185 WeakPolarHBondContact CB-OE2 3.25Å; K181-N221 WeakPolarHBondContact CD-OD1 3.46Å |
| 182 | G | 93.1 | Very high | 91 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -154.8 | 161 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F184 E185 H204 | G182-F184 PolarHBondContact O-N 2.81Å; G182-E185 PolarHBondContact O-N 3.21Å; G182-H204 PolarHBondContact O-CE1 3.27Å; G182-H204 PolarHBondContact O-NE2 2.89Å |
| 183 | A | 94.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C203 H204 I207 L280 | A183-C203 CarbonylContact O-C 3.48Å; A183-C203 WeakPolarHBondContact O-CA 3.34Å; A183-C203 WeakPolarHBondContact O-CB 3.34Å; A183-H204 WeakPolarHBondContact CA-O 3.1Å; A183-H204 PolarHBondContact O-CD2 2.82Å; A183-H204 PolarHBondContact O-N 2.75Å; A183-I207 HydrophobicContact CB-CD1 3.83Å; A183-I207 VanDerWaalsContact N-CD1 3.32Å; A183-L280 HydrophobicContact CB-CD2 3.81Å; A183-L280 HydrophobicContact CB-CG 4.21Å |
| 184 | F | 95.1 | Very high | 91.4 | Very high | 94 Ų | 94 | 42.7 Ų | 42.7 | 41% | 0.412 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 10.7 | -178.4 | -51 | -62.5 | 0 | 0 | 0 | 111.8 | G182 F186 T201 C203 A283 L284 | G182-F184 PolarHBondContact O-N 2.81Å; F184-F186 PolarHBondContact O-N 2.83Å; F184-T201 HydrophobicContact CD1-CG2 3.7Å; F184-T201 HydrophobicContact CE1-CG2 3.54Å; F184-T201 HydrophobicContact CZ-CG2 4.42Å; F184-C203 HydrophobicContact CD1-CB 3.65Å; F184-C203 HydrophobicContact CE1-CB 3.71Å; F184-A283 HydrophobicContact CE2-CB 3.63Å; F184-A283 HydrophobicContact CZ-CB 3.69Å; F184-L284 HydrophobicContact CE1-CD2 4.42Å |
| 185 | E | 94.4 | Very high | 91.6 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | trans | -92.1 | 107.4 | -174 | -63.9 | -164.7 | -159.6 | 0 | 0 | 110.8 | K179 K181 G182 H204 | K179-E185 HydrophobicContact CB-CB 3.82Å; K179-E185 PolarHBondContact N-O 3.28Å; K181-E185 WeakPolarHBondContact CB-OE2 3.25Å; G182-E185 PolarHBondContact O-N 3.21Å; E185-H204 PolarHBondContact O-NE2 2.83Å | ||
| 186 | F | 94.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -118.1 | 156.5 | 171.3 | -63 | -96.9 | 0 | 0 | 0 | 109.4 | V176 N177 V178 F184 L202 H204 F293 | V176-F186 HydrophobicContact CB-CD1 4.25Å; V176-F186 HydrophobicContact CB-CE1 4.42Å; N177-F186 CarbonylContact O-C 3.58Å; N177-F186 WeakPolarHBondContact O-CA 3.43Å; V178-F186 HydrophobicContact CG1-CD1 3.95Å; V178-F186 HydrophobicContact CG1-CE1 3.62Å; V178-F186 HydrophobicContact CG1-CZ 4.5Å; F184-F186 PolarHBondContact O-N 2.83Å; F186-L202 HydrophobicContact CD1-CD2 4.14Å; F186-L202 HydrophobicContact CD2-CD2 4.11Å; F186-L202 HydrophobicContact CD2-CG 4.3Å; F186-L202 HydrophobicContact CE1-CD2 3.94Å; F186-L202 HydrophobicContact CE1-CG 4.19Å; F186-L202 HydrophobicContact CE2-CB 4.29Å; F186-L202 HydrophobicContact CE2-CD2 3.95Å; F186-L202 HydrophobicContact CE2-CG 3.68Å; F186-L202 HydrophobicContact CG-CD2 4.22Å; F186-L202 HydrophobicContact CZ-CD1 4.4Å; F186-L202 HydrophobicContact CZ-CD2 3.85Å; F186-L202 HydrophobicContact CZ-CG 3.62Å; F186-H204 HydrophobicContact CE1-CB 4.37Å; F186-H204 AromaticContact CE1-CD2 3.99Å; F186-H204 AromaticContact CE2-CD2 3.64Å; F186-H204 HydrophobicContact CZ-CB 3.88Å; F186-H204 AromaticContact CZ-CD2 3.45Å; F186-H204 VanDerWaalsContact CZ-CD2 3.45Å; F186-H204 WeakPolarHBondContact CZ-CD2 3.37Å; F186-H204 AromaticContact CZ-CG 3.98Å; F186-F293 HydrophobicContact CE1-CB 4.44Å |
| 187 | E | 93.5 | Very high | 91.6 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 34% | 0.336 | 19% | 0.192 | S | C | . | . | trans | -67.9 | 130.2 | 159.6 | -169.1 | 172.2 | 160.3 | 0 | 0 | 108.7 | N177 T189 S223 | N177-E187 HydrophobicContact CB-CB 3.97Å; N177-E187 PolarHBondContact ND2-OE2 3.48Å; N177-E187 PolarHBondContact O-N 2.89Å; E187-T189 PolarHBondContact O-N 2.89Å; E187-T189 VanDerWaalsContact O-N 3.14Å; E187-S223 PolarHBondContact OE2-OG 3.12Å | ||
| 188 | Y | 89 | Confident | 91.5 | Very high | 142 Ų | 142 | 39.3 Ų | 39.3 | 56% | 0.557 | 19% | 0.191 | S | C | * | . | trans | -71.4 | 112.2 | -179.6 | -175.3 | -96.3 | 0 | 0 | 0 | 109.4 | I193 | Y188-I193 WeakPolarHBondContact OH-CD1 3.16Š| ||
| 189 | T | 86.9 | Confident | 91.4 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 15% | 0.153 | 21% | 0.214 | C | C | . | . | trans | -117.6 | 156.6 | 174.4 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | E187 E191 C192 | E187-T189 PolarHBondContact O-N 2.89Å; E187-T189 VanDerWaalsContact O-N 3.14Å; T189-E191 VanDerWaalsContact CB-OE2 3.29Å; T189-E191 WeakPolarHBondContact CB-OE2 3.19Å; T189-E191 PolarHBondContact O-N 3.45Å; T189-E191 VanDerWaalsContact O-N 3.09Å; T189-E191 PolarHBondContact OG1-OE2 3.02Å; T189-C192 WeakPolarHBondContact O-CB 3.46Å; T189-C192 PolarHBondContact O-N 2.85Å; T189-C192 PolarHBondContact OG1-SG 3.33Å; T189-C192 VanDerWaalsContact OG1-SG 3.37Å | ||
| 190 | P | 85.3 | Confident | 91.4 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -52 | -30.7 | 172.5 | -26.1 | 35 | 0 | 0 | 0 | 112.5 | V166 C192 I193 | V166-P190 HydrophobicContact CG2-CB 4.46Å; P190-C192 VanDerWaalsContact C-N 3.3Å; P190-C192 PolarHBondContact O-N 3.47Å; P190-I193 WeakPolarHBondContact O-CB 3.12Å; P190-I193 WeakPolarHBondContact O-CG2 3.29Å; P190-I193 PolarHBondContact O-N 3.43Å |
| 191 | E | 86.5 | Confident | 91.5 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -61.1 | -33.4 | 176 | -72 | 74.5 | -161.9 | 0 | 0 | 113.6 | V166 K169 L174 T189 I193 I194 | V166-E191 HydrophobicContact CG1-CB 4.48Å; V166-E191 HydrophobicContact CG1-CG 4.3Å; V166-E191 HydrophobicContact CG2-CG 4.48Å; K169-E191 IonicContact NZ-OE1 3.9Å; K169-E191 PolarHBondContact NZ-OE1 3.27Å; L174-E191 HydrophobicContact CD1-CB 3.48Å; L174-E191 VanDerWaalsContact CD1-CB 3.48Å; L174-E191 HydrophobicContact CD1-CG 3.52Å; L174-E191 HydrophobicContact CG-CB 3.97Å; L174-E191 HydrophobicContact CG-CG 4.29Å; T189-E191 VanDerWaalsContact CB-OE2 3.29Å; T189-E191 WeakPolarHBondContact CB-OE2 3.19Å; T189-E191 PolarHBondContact O-N 3.45Å; T189-E191 VanDerWaalsContact O-N 3.09Å; T189-E191 PolarHBondContact OG1-OE2 3.02Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 PolarHBondContact O-N 2.9Å; E191-I194 WeakPolarHBondContact O-CG2 3.46Å |
| 192 | C | 88.9 | Confident | 91.7 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -75.7 | -20.8 | -178.2 | -66.3 | 0 | 0 | 0 | 0 | 113 | T189 P190 I194 F195 | T189-C192 WeakPolarHBondContact O-CB 3.46Å; T189-C192 PolarHBondContact O-N 2.85Å; T189-C192 PolarHBondContact OG1-SG 3.33Å; T189-C192 VanDerWaalsContact OG1-SG 3.37Å; P190-C192 VanDerWaalsContact C-N 3.3Å; P190-C192 PolarHBondContact O-N 3.47Å; C192-I194 PolarHBondContact O-N 3.42Å; C192-I194 VanDerWaalsContact O-N 3.13Å; C192-F195 PolarHBondContact O-N 3.38Å; C192-F195 VanDerWaalsContact O-N 3.1Å |
| 193 | I | 88.8 | Confident | 91.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -30 | -172.3 | -152.7 | 164.2 | 0 | 0 | 0 | 113 | N159 D162 A163 Y188 P190 E191 F195 D196 L197 | N159-I193 VanDerWaalsContact CA-CD1 3.43Å; N159-I193 HydrophobicContact CB-CD1 3.47Å; N159-I193 VanDerWaalsContact CB-CD1 3.47Å; N159-I193 HydrophobicContact CB-CG1 4.07Å; N159-I193 WeakPolarHBondContact OD1-CD1 3.27Å; D162-I193 HydrophobicContact CB-CD1 4.2Å; A163-I193 HydrophobicContact CB-CG2 3.8Å; Y188-I193 WeakPolarHBondContact OH-CD1 3.16Å; P190-I193 WeakPolarHBondContact O-CB 3.12Å; P190-I193 WeakPolarHBondContact O-CG2 3.29Å; P190-I193 PolarHBondContact O-N 3.43Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 PolarHBondContact O-N 2.9Å; I193-F195 VanDerWaalsContact C-N 3.29Å; I193-F195 PolarHBondContact O-N 2.91Å; I193-D196 PolarHBondContact O-N 2.89Å; I193-L197 WeakPolarHBondContact O-CG 3.43Å; I193-L197 PolarHBondContact O-N 3.35Å |
| 194 | I | 90.8 | Very high | 92 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | -178.7 | -166.3 | 172.3 | 0 | 0 | 0 | 111.6 | I110 V138 V142 L167 L170 E191 C192 L198 | I110-I194 HydrophobicContact CD1-CD1 4.2Å; I110-I194 HydrophobicContact CD1-CG2 4.04Å; V138-I194 HydrophobicContact CG1-CD1 3.97Å; V142-I194 HydrophobicContact CG2-CG1 4.3Å; L167-I194 HydrophobicContact CD2-CD1 3.61Å; L170-I194 HydrophobicContact CD1-CD1 3.42Å; L170-I194 VanDerWaalsContact CD1-CD1 3.42Å; E191-I194 WeakPolarHBondContact O-CG2 3.46Å; C192-I194 PolarHBondContact O-N 3.42Å; C192-I194 VanDerWaalsContact O-N 3.13Å; I194-L198 HydrophobicContact CD1-CD1 4.33Å; I194-L198 HydrophobicContact CG1-CD1 3.74Å; I194-L198 HydrophobicContact CG1-CG 4.48Å; I194-L198 WeakPolarHBondContact O-CB 3.33Å; I194-L198 WeakPolarHBondContact O-CD1 3.46Å; I194-L198 VanDerWaalsContact O-CG 3.31Å; I194-L198 WeakPolarHBondContact O-CG 3.49Å; I194-L198 PolarHBondContact O-N 3.49Å; I194-L198 VanDerWaalsContact O-N 3.11Å |
| 195 | F | 92.8 | Very high | 92 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.3 | -61.5 | -75.8 | 0 | 0 | 0 | 110.4 | I110 L174 C192 I193 L198 N199 I200 L202 V291 F298 | I110-F195 HydrophobicContact CD1-CD1 4.34Å; I110-F195 HydrophobicContact CD1-CE1 3.8Å; I110-F195 HydrophobicContact CD1-CZ 4.11Å; I110-F195 HydrophobicContact CG1-CD1 4.19Å; I110-F195 HydrophobicContact CG1-CE1 3.64Å; I110-F195 HydrophobicContact CG1-CZ 4.36Å; L174-F195 HydrophobicContact CD2-CE2 3.55Å; L174-F195 HydrophobicContact CD2-CZ 3.85Å; C192-F195 PolarHBondContact O-N 3.38Å; C192-F195 VanDerWaalsContact O-N 3.1Å; I193-F195 VanDerWaalsContact C-N 3.29Å; I193-F195 PolarHBondContact O-N 2.91Å; F195-L198 PolarHBondContact O-N 2.92Å; F195-N199 PolarHBondContact O-N 3.39Å; F195-N199 VanDerWaalsContact O-N 3.11Å; F195-I200 HydrophobicContact CB-CB 4.31Å; F195-I200 HydrophobicContact CD1-CB 4.11Å; F195-I200 HydrophobicContact CD1-CG2 3.81Å; F195-I200 PolarHBondContact O-N 3.43Å; F195-L202 HydrophobicContact CB-CB 4.49Å; F195-L202 HydrophobicContact CD2-CB 4.38Å; F195-L202 HydrophobicContact CD2-CD2 4.01Å; F195-L202 HydrophobicContact CE1-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD2 3.95Å; F195-L202 HydrophobicContact CG-CB 4.23Å; F195-L202 HydrophobicContact CZ-CD1 4.07Å; F195-V291 HydrophobicContact CE1-CB 4.25Å; F195-V291 HydrophobicContact CE1-CG1 4.21Å; F195-V291 HydrophobicContact CE1-CG2 4.17Å; F195-F298 HydrophobicContact CZ-CD1 4.39Å; F195-F298 HydrophobicContact CZ-CE1 4.24Å |
| 196 | D | 89.5 | Confident | 92 | Very high | 99 Ų | 99 | 31.4 Ų | 31.4 | 53% | 0.529 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 178.7 | -71.7 | -17.5 | 0 | 0 | 0 | 112.3 | I193 N199 | I193-D196 PolarHBondContact O-N 2.89Å; D196-N199 PolarHBondContact O-N 3.34Å |
| 197 | L | 89.8 | Confident | 92 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 177.3 | -69.8 | -178.9 | 0 | 0 | 0 | 110.7 | V142 Q145 Y156 N159 V160 A163 I193 N199 | V142-L197 HydrophobicContact CG1-CD1 3.74Å; Q145-L197 PolarHBondContact OE1-O 3.28Å; Y156-L197 HydrophobicContact CD2-CD2 3.96Å; Y156-L197 HydrophobicContact CE2-CD2 3.18Å; N159-L197 HydrophobicContact CB-CD2 4.27Å; V160-L197 HydrophobicContact CG2-CD1 4.36Å; A163-L197 HydrophobicContact CB-CD1 3.56Å; I193-L197 WeakPolarHBondContact O-CG 3.43Å; I193-L197 PolarHBondContact O-N 3.35Å; L197-N199 PolarHBondContact O-N 3.23Å; L197-N199 VanDerWaalsContact O-N 3.17Å |
| 198 | L | 91.9 | Very high | 92 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 3.6 | -179.1 | -63.3 | 168 | 0 | 0 | 0 | 114 | I110 L114 V138 L141 V142 I194 F195 I200 | I110-L198 HydrophobicContact CG2-CD1 3.7Å; L114-L198 HydrophobicContact CD1-CD1 4.28Å; L114-L198 HydrophobicContact CD1-CD2 4.4Å; V138-L198 HydrophobicContact CG1-CD1 3.92Å; L141-L198 HydrophobicContact CB-CD2 4.08Å; V142-L198 HydrophobicContact CG2-CD1 4.28Å; V142-L198 HydrophobicContact CG2-CD2 3.86Å; V142-L198 HydrophobicContact CG2-CG 4.03Å; I194-L198 HydrophobicContact CD1-CD1 4.33Å; I194-L198 HydrophobicContact CG1-CD1 3.74Å; I194-L198 HydrophobicContact CG1-CG 4.48Å; I194-L198 WeakPolarHBondContact O-CB 3.33Å; I194-L198 WeakPolarHBondContact O-CD1 3.46Å; I194-L198 VanDerWaalsContact O-CG 3.31Å; I194-L198 WeakPolarHBondContact O-CG 3.49Å; I194-L198 PolarHBondContact O-N 3.49Å; I194-L198 VanDerWaalsContact O-N 3.11Å; F195-L198 PolarHBondContact O-N 2.92Å; L198-I200 HydrophobicContact CB-CD1 3.76Å; L198-I200 HydrophobicContact CB-CG1 3.8Å; L198-I200 HydrophobicContact CD1-CD1 4.1Å; L198-I200 PolarHBondContact O-N 3.46Å |
| 199 | N | 92.4 | Very high | 92.2 | Very high | 95 Ų | 95 | 22.6 Ų | 22.6 | 51% | 0.508 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42 | -173.5 | -53.9 | -45.3 | 0 | 0 | 0 | 112.3 | R117 F195 D196 L197 | R117-N199 PolarHBondContact NH1-O 3.44Å; R117-N199 PolarHBondContact NH2-O 2.92Å; R117-N199 VanDerWaalsContact NH2-O 3.17Å; F195-N199 PolarHBondContact O-N 3.39Å; F195-N199 VanDerWaalsContact O-N 3.11Å; D196-N199 PolarHBondContact O-N 3.34Å; L197-N199 PolarHBondContact O-N 3.23Å; L197-N199 VanDerWaalsContact O-N 3.17Å |
| 200 | I | 95.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -99.3 | 124.3 | 176.5 | -60.8 | 178.4 | 0 | 0 | 0 | 108.1 | I110 L113 L114 F195 L198 L202 V291 | I110-I200 HydrophobicContact CB-CD1 4.39Å; I110-I200 HydrophobicContact CG1-CD1 4.31Å; I110-I200 HydrophobicContact CG2-CD1 3.88Å; L113-I200 HydrophobicContact CD1-CG2 3.73Å; L113-I200 HydrophobicContact CD2-CD1 3.85Å; L113-I200 HydrophobicContact CD2-CG1 3.72Å; L113-I200 HydrophobicContact CD2-CG2 4.37Å; L114-I200 HydrophobicContact CD2-CD1 4.26Å; L114-I200 HydrophobicContact CG-CD1 4.29Å; F195-I200 HydrophobicContact CB-CB 4.31Å; F195-I200 HydrophobicContact CD1-CB 4.11Å; F195-I200 HydrophobicContact CD1-CG2 3.81Å; F195-I200 PolarHBondContact O-N 3.43Å; L198-I200 HydrophobicContact CB-CD1 3.76Å; L198-I200 HydrophobicContact CB-CG1 3.8Å; L198-I200 HydrophobicContact CD1-CD1 4.1Å; L198-I200 PolarHBondContact O-N 3.46Å; I200-L202 PolarHBondContact O-N 2.93Å; I200-V291 HydrophobicContact CG2-CB 4.31Å; I200-V291 HydrophobicContact CG2-CG2 3.58Å |
| 201 | T | 96 | Very high | 92.8 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 28% | 0.276 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 117.3 | 174.3 | -50.4 | 0 | 0 | 0 | 0 | 109.1 | F184 H288 A290 V291 | F184-T201 HydrophobicContact CD1-CG2 3.7Å; F184-T201 HydrophobicContact CE1-CG2 3.54Å; F184-T201 HydrophobicContact CZ-CG2 4.42Å; T201-H288 PolarHBondContact OG1-NE2 3.28Å; T201-A290 HydrophobicContact CG2-CB 4.5Å; T201-A290 WeakPolarHBondContact O-CA 3.27Å; T201-A290 VanDerWaalsContact O-CB 3.32Å; T201-A290 WeakPolarHBondContact O-CB 3.45Å; T201-V291 PolarHBondContact O-N 3.29Å |
| 202 | L | 96.1 | Very high | 93 | Very high | 17 Ų | 17 | 28 Ų | 28 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.2 | 168.7 | -176.7 | 65.8 | 0 | 0 | 0 | 109.5 | V176 F186 F195 I200 V291 F298 | V176-L202 HydrophobicContact CG1-CD2 4.36Å; F186-L202 HydrophobicContact CD1-CD2 4.14Å; F186-L202 HydrophobicContact CD2-CD2 4.11Å; F186-L202 HydrophobicContact CD2-CG 4.3Å; F186-L202 HydrophobicContact CE1-CD2 3.94Å; F186-L202 HydrophobicContact CE1-CG 4.19Å; F186-L202 HydrophobicContact CE2-CB 4.29Å; F186-L202 HydrophobicContact CE2-CD2 3.95Å; F186-L202 HydrophobicContact CE2-CG 3.68Å; F186-L202 HydrophobicContact CG-CD2 4.22Å; F186-L202 HydrophobicContact CZ-CD1 4.4Å; F186-L202 HydrophobicContact CZ-CD2 3.85Å; F186-L202 HydrophobicContact CZ-CG 3.62Å; F195-L202 HydrophobicContact CB-CB 4.49Å; F195-L202 HydrophobicContact CD2-CB 4.38Å; F195-L202 HydrophobicContact CD2-CD2 4.01Å; F195-L202 HydrophobicContact CE1-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD1 4.27Å; F195-L202 HydrophobicContact CE2-CD2 3.95Å; F195-L202 HydrophobicContact CG-CB 4.23Å; F195-L202 HydrophobicContact CZ-CD1 4.07Å; I200-L202 PolarHBondContact O-N 2.93Å; L202-V291 HydrophobicContact CD1-CB 4.14Å; L202-V291 HydrophobicContact CD1-CG1 3.9Å; L202-F298 HydrophobicContact CD1-CD1 4.13Å; L202-F298 HydrophobicContact CD1-CE1 3.96Å |
| 203 | C | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 160.1 | -178.9 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | A183 F184 L280 V291 L292 F293 | A183-C203 CarbonylContact O-C 3.48Å; A183-C203 WeakPolarHBondContact O-CA 3.34Å; A183-C203 WeakPolarHBondContact O-CB 3.34Å; F184-C203 HydrophobicContact CD1-CB 3.65Å; F184-C203 HydrophobicContact CE1-CB 3.71Å; C203-L280 HydrophobicContact CB-CD2 3.86Å; C203-V291 PolarHBondContact N-O 3.41Å; C203-V291 PolarHBondContact SG-O 3.3Å; C203-L292 CarbonylContact O-C 3.42Å; C203-L292 WeakPolarHBondContact O-CA 3.12Å; C203-F293 PolarHBondContact O-N 3.1Å |
| 204 | H | 96.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 158.4 | 173.1 | 70.2 | 102.1 | 0 | 0 | 0 | 110.2 | V178 K179 G182 A183 E185 F186 W206 F293 | V178-H204 HydrophobicContact CG1-CB 4.19Å; K179-H204 PolarHBondContact O-CE1 3.11Å; K179-H204 PolarHBondContact O-NE2 3.5Å; G182-H204 PolarHBondContact O-CE1 3.27Å; G182-H204 PolarHBondContact O-NE2 2.89Å; A183-H204 WeakPolarHBondContact CA-O 3.1Å; A183-H204 PolarHBondContact O-CD2 2.82Å; A183-H204 PolarHBondContact O-N 2.75Å; E185-H204 PolarHBondContact O-NE2 2.83Å; F186-H204 HydrophobicContact CE1-CB 4.37Å; F186-H204 AromaticContact CE1-CD2 3.99Å; F186-H204 AromaticContact CE2-CD2 3.64Å; F186-H204 HydrophobicContact CZ-CB 3.88Å; F186-H204 AromaticContact CZ-CD2 3.45Å; F186-H204 VanDerWaalsContact CZ-CD2 3.45Å; F186-H204 WeakPolarHBondContact CZ-CD2 3.37Å; F186-H204 AromaticContact CZ-CG 3.98Å; H204-W206 PolarHBondContact CE1-O 3.42Å; H204-W206 PolarHBondContact ND1-N 3.48Å; H204-W206 PolarHBondContact ND1-O 2.98Å; H204-F293 HydrophobicContact CB-CB 4.49Å |
| 205 | G | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -105.1 | 11.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | I207 T273 G276 | G205-I207 PolarHBondContact O-N 2.93Å; G205-T273 PolarHBondContact O-N 3.39Å; G205-T273 PolarHBondContact O-OG1 3.02Å; G205-G276 WeakPolarHBondContact O-CA 3.3Å | ||
| 206 | W | 95.2 | Very high | 92.9 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | trans | -88.9 | 76.2 | -176.9 | -155.9 | 1.1 | 0 | 0 | 0 | 111 | V178 F180 H204 Y224 F264 F265 S268 Q271 | V178-W206 HydrophobicContact CG2-CE3 3.73Å; V178-W206 HydrophobicContact CG2-CZ3 4.23Å; F180-W206 HydrophobicContact CD1-CD2 4.17Å; F180-W206 HydrophobicContact CD1-CG 4.04Å; F180-W206 WeakPolarHBondContact CD1-O 3.29Å; F180-W206 AromaticContact CE1-CD2 3.63Å; F180-W206 HydrophobicContact CE1-CD2 3.63Å; F180-W206 AromaticContact CE1-CE2 3.78Å; F180-W206 AromaticContact CE1-CE3 3.92Å; F180-W206 HydrophobicContact CE1-CE3 3.92Å; F180-W206 AromaticContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CG 4Å; F180-W206 HydrophobicContact CE1-CH2 4.46Å; F180-W206 HydrophobicContact CE1-CZ2 4.24Å; F180-W206 HydrophobicContact CE1-CZ3 4.29Å; H204-W206 PolarHBondContact CE1-O 3.42Å; H204-W206 PolarHBondContact ND1-N 3.48Å; H204-W206 PolarHBondContact ND1-O 2.98Å; W206-Y224 AromaticContact CH2-CD2 3.61Å; W206-Y224 HydrophobicContact CH2-CD2 3.61Å; W206-Y224 AromaticContact CH2-CE2 3.72Å; W206-Y224 HydrophobicContact CH2-CE2 3.72Å; W206-Y224 AromaticContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CE2 4.12Å; W206-F264 AromaticContact CD1-CZ 3.51Å; W206-F264 AromaticContact NE1-CE1 3.48Å; W206-F264 AromaticContact NE1-CZ 3.41Å; W206-F265 HydrophobicContact CH2-CD1 4.1Å; W206-F265 AromaticContact CH2-CE1 3.82Å; W206-F265 HydrophobicContact CH2-CE1 3.82Å; W206-F265 AromaticContact CZ2-CD1 3.54Å; W206-F265 HydrophobicContact CZ2-CD1 3.54Å; W206-F265 AromaticContact CZ2-CE1 3.61Å; W206-F265 HydrophobicContact CZ2-CE1 3.61Å; W206-S268 VanDerWaalsContact NE1-CB 3.29Å; W206-S268 PolarHBondContact NE1-OG 2.82Å; W206-Q271 WeakPolarHBondContact CB-O 3.21Å; W206-Q271 HydrophobicContact CD2-CB 3.98Å; W206-Q271 HydrophobicContact CD2-CG 4.21Å; W206-Q271 HydrophobicContact CE3-CB 3.85Å; W206-Q271 HydrophobicContact CE3-CG 3.78Å; W206-Q271 HydrophobicContact CG-CB 4.37Å; W206-Q271 HydrophobicContact CH2-CG 4.01Å; W206-Q271 HydrophobicContact CZ2-CG 4.36Å; W206-Q271 HydrophobicContact CZ3-CB 4.31Å; W206-Q271 HydrophobicContact CZ3-CG 3.72Å | ||
| 207 | I | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -118.3 | 134.4 | -173.3 | -50.1 | -177.9 | 0 | 0 | 0 | 110.4 | F180 A183 G205 T273 Y275 | F180-I207 WeakPolarHBondContact O-CG2 3.35Å; A183-I207 HydrophobicContact CB-CD1 3.83Å; A183-I207 VanDerWaalsContact N-CD1 3.32Å; G205-I207 PolarHBondContact O-N 2.93Å; I207-T273 PolarHBondContact N-OG1 3.24Å; I207-T273 WeakPolarHBondContact O-CB 3.25Å; I207-T273 WeakPolarHBondContact O-CG2 3.31Å; I207-T273 PolarHBondContact O-OG1 3.38Å; I207-Y275 HydrophobicContact CB-CD1 4.11Å; I207-Y275 HydrophobicContact CG2-CD1 3.67Å; I207-Y275 HydrophobicContact CG2-CE1 3.76Å | ||
| 208 | S | 93.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -69.5 | 131.7 | 173.1 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | F180 P210 H216 | F180-S208 PolarHBondContact O-N 3.17Å; F180-S208 PolarHBondContact O-OG 3.06Å; S208-P210 VanDerWaalsContact O-CD 3.3Å; S208-P210 WeakPolarHBondContact O-CD 3.27Å; S208-H216 PolarHBondContact OG-CE1 3.47Å; S208-H216 PolarHBondContact OG-ND1 2.97Å | ||
| 209 | D | 93.4 | Very high | 92.8 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | trans | -77.8 | 116.9 | -178.5 | -170.7 | -24.2 | 0 | 0 | 0 | 110.5 | T211 N212 Y275 | D209-T211 PolarHBondContact O-N 2.89Å; D209-T211 VanDerWaalsContact OD1-CB 3.31Å; D209-T211 WeakPolarHBondContact OD1-CB 3.48Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.32Å; D209-T211 PolarHBondContact OD1-N 2.94Å; D209-T211 PolarHBondContact OD1-OG1 2.89Å; D209-T211 PolarHBondContact OD2-OG1 2.9Å; D209-T211 VanDerWaalsContact OD2-OG1 3.14Å; D209-N212 PolarHBondContact O-N 3.35Å; D209-Y275 HydrophobicContact CB-CG 4.21Å | ||
| 210 | P | 92.2 | Very high | 92.5 | Very high | 54 Ų | 54 | 38 Ų | 38 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.5 | 179.2 | -21.1 | 33.9 | 0 | 0 | 0 | 114 | S208 N212 Y275 | S208-P210 VanDerWaalsContact O-CD 3.3Å; S208-P210 WeakPolarHBondContact O-CD 3.27Å; P210-N212 PolarHBondContact O-N 2.93Å; P210-Y275 VanDerWaalsContact CD-CE2 3.48Å; P210-Y275 HydrophobicContact CG-CE1 4.13Å; P210-Y275 HydrophobicContact CG-CE2 4.16Å |
| 211 | T | 92 | Very high | 92.3 | Very high | 118 Ų | 118 | 42 Ų | 42 | 72% | 0.724 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -28.9 | 175.6 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | D209 T213 | D209-T211 PolarHBondContact O-N 2.89Å; D209-T211 VanDerWaalsContact OD1-CB 3.31Å; D209-T211 WeakPolarHBondContact OD1-CB 3.48Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.32Å; D209-T211 PolarHBondContact OD1-N 2.94Å; D209-T211 PolarHBondContact OD1-OG1 2.89Å; D209-T211 PolarHBondContact OD2-OG1 2.9Å; D209-T211 VanDerWaalsContact OD2-OG1 3.14Å; T211-T213 PolarHBondContact O-N 3.23Å |
| 212 | N | 90.2 | Very high | 92.1 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -91 | 80.5 | 169.7 | -167.9 | -26.5 | 0 | 0 | 0 | 109.8 | D209 P210 E214 M215 H216 | D209-N212 PolarHBondContact O-N 3.35Å; P210-N212 PolarHBondContact O-N 2.93Å; N212-E214 PolarHBondContact O-N 2.91Å; N212-M215 HydrophobicContact CB-CB 4.36Å; N212-M215 VanDerWaalsContact ND2-CE 3.29Å; N212-M215 WeakPolarHBondContact ND2-CE 3.39Å; N212-M215 WeakPolarHBondContact ND2-CG 3.34Å; N212-M215 PolarHBondContact ND2-SD 3.35Å; N212-M215 PolarHBondContact O-N 2.7Å; N212-M215 PolarHBondContact OD1-N 3.03Å; N212-H216 VanDerWaalsContact O-CB 3.28Å; N212-H216 WeakPolarHBondContact O-CB 3.2Å; N212-H216 PolarHBondContact O-N 3.49Å |
| 213 | T | 91 | Very high | 92 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 48% | 0.479 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.2 | -36.4 | -173.3 | -51.5 | 0 | 0 | 0 | 0 | 113.1 | T211 Q217 | T211-T213 PolarHBondContact O-N 3.23Å; T213-Q217 HydrophobicContact CG2-CG 4.26Å; T213-Q217 VanDerWaalsContact CG2-NE2 3.34Å; T213-Q217 VanDerWaalsContact O-CB 3.23Å; T213-Q217 WeakPolarHBondContact O-CB 3.44Å; T213-Q217 WeakPolarHBondContact O-CG 3.48Å; T213-Q217 PolarHBondContact O-N 2.78Å |
| 214 | E | 89.1 | Confident | 91.9 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.9 | -46.2 | -177.2 | -55.9 | -170.1 | 132.1 | 0 | 0 | 111.9 | N212 A218 R256 Y260 | N212-E214 PolarHBondContact O-N 2.91Å; E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.39Å; E214-R256 IonicContact OE1-CZ 3.84Å; E214-R256 IonicContact OE1-NH1 3.32Å; E214-R256 PolarHBondContact OE1-NH1 3.24Å; E214-R256 IonicContact OE1-NH2 2.64Å; E214-R256 IonicContact OE2-NH1 2.71Å; E214-Y260 HydrophobicContact CB-CD1 4.23Å; E214-Y260 HydrophobicContact CB-CD2 4.06Å; E214-Y260 HydrophobicContact CB-CE1 3.91Å; E214-Y260 HydrophobicContact CB-CE2 3.71Å; E214-Y260 HydrophobicContact CB-CG 4.34Å; E214-Y260 HydrophobicContact CG-CE2 4.43Å; E214-Y260 PolarHBondContact OE1-OH 3.37Å; E214-Y260 WeakPolarHBondContact OE2-CE1 3.38Å; E214-Y260 PolarHBondContact OE2-OH 2.98Å |
| 215 | M | 88.5 | Confident | 91.8 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 22% | 0.222 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 174.6 | -67.5 | -175.4 | -166 | 0 | 0 | 111.6 | N212 Q217 A218 V219 Y260 A263 | N212-M215 HydrophobicContact CB-CB 4.36Å; N212-M215 VanDerWaalsContact ND2-CE 3.29Å; N212-M215 WeakPolarHBondContact ND2-CE 3.39Å; N212-M215 WeakPolarHBondContact ND2-CG 3.34Å; N212-M215 PolarHBondContact ND2-SD 3.35Å; N212-M215 PolarHBondContact O-N 2.7Å; N212-M215 PolarHBondContact OD1-N 3.03Å; M215-Q217 VanDerWaalsContact C-N 3.33Å; M215-Q217 PolarHBondContact O-N 3.12Å; M215-A218 PolarHBondContact O-N 3.32Å; M215-V219 WeakPolarHBondContact O-CG2 3.28Å; M215-V219 PolarHBondContact O-N 2.85Å; M215-Y260 HydrophobicContact CG-CD1 4.08Å; M215-A263 HydrophobicContact CE-CB 4.19Å |
| 216 | H | 90.8 | Very high | 91.6 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 178.8 | -173.9 | 70.4 | 0 | 0 | 0 | 112.1 | S208 N212 G220 | S208-H216 PolarHBondContact OG-CE1 3.47Å; S208-H216 PolarHBondContact OG-ND1 2.97Å; N212-H216 VanDerWaalsContact O-CB 3.28Å; N212-H216 WeakPolarHBondContact O-CB 3.2Å; N212-H216 PolarHBondContact O-N 3.49Å; H216-G220 WeakPolarHBondContact O-CA 3.07Å; H216-G220 PolarHBondContact O-N 3.18Å |
| 217 | Q | 90.2 | Very high | 91.4 | Very high | 137 Ų | 137 | 52.7 Ų | 52.7 | 64% | 0.64 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.8 | -38.8 | 174.3 | -76.4 | 174.9 | 0.2 | 0 | 0 | 112.7 | T213 M215 | T213-Q217 HydrophobicContact CG2-CG 4.26Å; T213-Q217 VanDerWaalsContact CG2-NE2 3.34Å; T213-Q217 VanDerWaalsContact O-CB 3.23Å; T213-Q217 WeakPolarHBondContact O-CB 3.44Å; T213-Q217 WeakPolarHBondContact O-CG 3.48Å; T213-Q217 PolarHBondContact O-N 2.78Å; M215-Q217 VanDerWaalsContact C-N 3.33Å; M215-Q217 PolarHBondContact O-N 3.12Å |
| 218 | A | 88.1 | Confident | 91.2 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E214 M215 K230 S257 | E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.39Å; M215-A218 PolarHBondContact O-N 3.32Å; A218-K230 PolarHBondContact O-NZ 3.48Å; A218-S257 WeakPolarHBondContact CA-OG 3.38Å; A218-S257 WeakPolarHBondContact CB-O 3.4Å; A218-S257 WeakPolarHBondContact CB-OG 3.29Å |
| 219 | V | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.2 | -44.5 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 111 | F180 M215 N221 L222 L227 F264 | F180-V219 HydrophobicContact CB-CG1 3.5Å; F180-V219 VanDerWaalsContact CB-CG1 3.5Å; F180-V219 HydrophobicContact CD2-CG1 3.29Å; F180-V219 HydrophobicContact CE2-CG1 4.2Å; F180-V219 HydrophobicContact CG-CG1 3.62Å; M215-V219 WeakPolarHBondContact O-CG2 3.28Å; M215-V219 PolarHBondContact O-N 2.85Å; V219-N221 PolarHBondContact O-N 3.47Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 VanDerWaalsContact O-CG 3.3Å; V219-L222 WeakPolarHBondContact O-CG 3.41Å; V219-L222 PolarHBondContact O-N 2.83Å; V219-L227 HydrophobicContact CG1-CD2 4.17Å; V219-L227 HydrophobicContact CG2-CD1 4.5Å; V219-L227 HydrophobicContact CG2-CD2 4.06Å; V219-F264 HydrophobicContact CG2-CB 4.13Å; V219-F264 HydrophobicContact CG2-CD1 3.91Å; V219-F264 HydrophobicContact CG2-CE1 4.47Å; V219-F264 HydrophobicContact CG2-CG 3.93Å |
| 220 | G | 87.2 | Confident | 90.6 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | -133.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H216 | H216-G220 WeakPolarHBondContact O-CA 3.07Å; H216-G220 PolarHBondContact O-N 3.18Å |
| 221 | N | 91 | Very high | 90.2 | Very high | 89 Ų | 89 | 58 Ų | 58 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 22 | 178.1 | -162.8 | 44.2 | 0 | 0 | 0 | 112.4 | K181 V219 | K181-N221 WeakPolarHBondContact CD-OD1 3.46Å; V219-N221 PolarHBondContact O-N 3.47Å |
| 222 | L | 92.5 | Very high | 89.8 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | trans | -75.9 | 145.1 | -177.9 | -59 | 174 | 0 | 0 | 0 | 110.1 | F180 V219 Q226 L227 K230 | F180-L222 WeakPolarHBondContact CD2-O 3.42Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 VanDerWaalsContact O-CG 3.3Å; V219-L222 WeakPolarHBondContact O-CG 3.41Å; V219-L222 PolarHBondContact O-N 2.83Å; L222-Q226 HydrophobicContact CB-CB 4.05Å; L222-Q226 HydrophobicContact CD2-CB 4.1Å; L222-L227 HydrophobicContact CB-CB 4.37Å; L222-L227 HydrophobicContact CD1-CD1 3.96Å; L222-K230 HydrophobicContact CD1-CD 3.56Å | ||
| 223 | S | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 167.3 | 165.4 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | N177 V178 E187 N225 Q226 L227 | N177-S223 VanDerWaalsContact ND2-CB 3.27Å; N177-S223 WeakPolarHBondContact ND2-CB 3.27Å; N177-S223 PolarHBondContact ND2-OG 3.31Å; V178-S223 CarbonylContact O-C 3.44Å; V178-S223 WeakPolarHBondContact O-CA 3.24Å; E187-S223 PolarHBondContact OE2-OG 3.12Å; S223-N225 VanDerWaalsContact C-N 3.31Å; S223-N225 PolarHBondContact O-N 2.86Å; S223-Q226 PolarHBondContact O-N 3.09Å; S223-Q226 WeakPolarHBondContact OG-CG 3.23Å; S223-Q226 PolarHBondContact OG-OE1 3.46Å; S223-L227 WeakPolarHBondContact O-CB 3.41Å; S223-L227 PolarHBondContact O-N 2.98Å |
| 224 | Y | 93.9 | Very high | 88.3 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.3 | -49.1 | 176.7 | 169.1 | -93.5 | 0 | 0 | 0 | 111.6 | N177 V178 F180 W206 Q226 L227 V228 F265 | N177-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N177-Y224 PolarHBondContact OD1-N 3.35Å; N177-Y224 VanDerWaalsContact OD1-N 3.08Å; V178-Y224 PolarHBondContact O-N 2.83Å; F180-Y224 HydrophobicContact CZ-CD2 4.2Å; W206-Y224 AromaticContact CH2-CD2 3.61Å; W206-Y224 HydrophobicContact CH2-CD2 3.61Å; W206-Y224 AromaticContact CH2-CE2 3.72Å; W206-Y224 HydrophobicContact CH2-CE2 3.72Å; W206-Y224 AromaticContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CD2 3.72Å; W206-Y224 HydrophobicContact CZ3-CE2 4.12Å; Y224-Q226 PolarHBondContact O-N 2.99Å; Y224-L227 PolarHBondContact O-N 3.28Å; Y224-V228 HydrophobicContact CD1-CG2 4.44Å; Y224-V228 HydrophobicContact CD2-CG2 4.32Å; Y224-V228 HydrophobicContact CE1-CG2 4.03Å; Y224-V228 HydrophobicContact CE2-CG2 3.89Å; Y224-V228 WeakPolarHBondContact O-CG2 3.19Å; Y224-V228 PolarHBondContact O-N 3.45Å; Y224-F265 AromaticContact CD2-CE1 3.78Å; Y224-F265 HydrophobicContact CD2-CE1 3.78Å; Y224-F265 AromaticContact CD2-CZ 3.71Å; Y224-F265 HydrophobicContact CD2-CZ 3.71Å; Y224-F265 AromaticContact CE2-CE1 3.92Å; Y224-F265 HydrophobicContact CE2-CE1 3.92Å; Y224-F265 AromaticContact CE2-CZ 3.76Å; Y224-F265 HydrophobicContact CE2-CZ 3.76Å |
| 225 | N | 93.4 | Very high | 87.3 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 178.6 | -67.1 | -14.6 | 0 | 0 | 0 | 112.3 | N177 S223 L227 V228 E229 | N177-N225 PolarHBondContact ND2-ND2 3.43Å; N177-N225 PolarHBondContact OD1-N 2.87Å; N177-N225 VanDerWaalsContact OD1-N 3.13Å; S223-N225 VanDerWaalsContact C-N 3.31Å; S223-N225 PolarHBondContact O-N 2.86Å; N225-L227 VanDerWaalsContact C-N 3.31Å; N225-L227 PolarHBondContact O-N 3.34Å; N225-V228 PolarHBondContact O-N 3.08Å; N225-E229 WeakPolarHBondContact O-CG 3.26Å; N225-E229 PolarHBondContact O-N 3.43Å |
| 226 | Q | 92.8 | Very high | 86.3 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 178.4 | -69.2 | 173.2 | -21.8 | 0 | 0 | 112.5 | L222 S223 Y224 K230 | L222-Q226 HydrophobicContact CB-CB 4.05Å; L222-Q226 HydrophobicContact CD2-CB 4.1Å; S223-Q226 PolarHBondContact O-N 3.09Å; S223-Q226 WeakPolarHBondContact OG-CG 3.23Å; S223-Q226 PolarHBondContact OG-OE1 3.46Å; Y224-Q226 PolarHBondContact O-N 2.99Å; Q226-K230 WeakPolarHBondContact O-CB 3.43Å; Q226-K230 PolarHBondContact O-N 3.47Å |
| 227 | L | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.7 | -40.7 | 177.8 | -170.8 | 64.2 | 0 | 0 | 0 | 111.2 | F180 V219 L222 S223 Y224 N225 K230 I231 A261 F264 F265 | F180-L227 HydrophobicContact CD2-CD2 4.12Å; F180-L227 HydrophobicContact CE2-CB 4.04Å; F180-L227 HydrophobicContact CE2-CD2 3.5Å; F180-L227 VanDerWaalsContact CE2-CD2 3.5Å; F180-L227 HydrophobicContact CE2-CG 4.4Å; F180-L227 HydrophobicContact CZ-CD2 3.94Å; V219-L227 HydrophobicContact CG1-CD2 4.17Å; V219-L227 HydrophobicContact CG2-CD1 4.5Å; V219-L227 HydrophobicContact CG2-CD2 4.06Å; L222-L227 HydrophobicContact CB-CB 4.37Å; L222-L227 HydrophobicContact CD1-CD1 3.96Å; S223-L227 WeakPolarHBondContact O-CB 3.41Å; S223-L227 PolarHBondContact O-N 2.98Å; Y224-L227 PolarHBondContact O-N 3.28Å; N225-L227 VanDerWaalsContact C-N 3.31Å; N225-L227 PolarHBondContact O-N 3.34Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 3.49Å; L227-I231 HydrophobicContact CG-CD1 4.39Å; L227-I231 WeakPolarHBondContact O-CD1 3.34Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.27Å; L227-I231 PolarHBondContact O-N 3.21Å; L227-A261 HydrophobicContact CD1-CB 3.72Å; L227-A261 HydrophobicContact CG-CB 4.26Å; L227-F264 HydrophobicContact CD2-CD1 4.31Å; L227-F265 HydrophobicContact CB-CZ 4.32Å; L227-F265 HydrophobicContact CD2-CE1 3.95Å; L227-F265 HydrophobicContact CD2-CE2 4.14Å; L227-F265 HydrophobicContact CD2-CZ 3.63Å; L227-F265 HydrophobicContact CG-CE2 4.28Å; L227-F265 HydrophobicContact CG-CZ 4.06Å |
| 228 | V | 90.1 | Very high | 83.6 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | Y224 N225 K230 I231 I232 F265 | Y224-V228 HydrophobicContact CD1-CG2 4.44Å; Y224-V228 HydrophobicContact CD2-CG2 4.32Å; Y224-V228 HydrophobicContact CE1-CG2 4.03Å; Y224-V228 HydrophobicContact CE2-CG2 3.89Å; Y224-V228 WeakPolarHBondContact O-CG2 3.19Å; Y224-V228 PolarHBondContact O-N 3.45Å; N225-V228 PolarHBondContact O-N 3.08Å; V228-K230 VanDerWaalsContact C-N 3.29Å; V228-K230 PolarHBondContact O-N 3.04Å; V228-I231 PolarHBondContact O-N 3.4Å; V228-I232 HydrophobicContact CG1-CD1 3.82Å; V228-I232 HydrophobicContact CG1-CG1 4.47Å; V228-I232 WeakPolarHBondContact O-CG1 3.47Å; V228-I232 PolarHBondContact O-N 3.42Å; V228-F265 HydrophobicContact CG2-CE2 3.89Å; V228-F265 HydrophobicContact CG2-CZ 3.97Å |
| 229 | E | 88.4 | Confident | 82 | Confident | 113 Ų | 113 | 61.9 Ų | 61.9 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -44.1 | 175.1 | -75.6 | 176.9 | -172.9 | 0 | 0 | 111.8 | N225 I231 I232 H233 | N225-E229 WeakPolarHBondContact O-CG 3.26Å; N225-E229 PolarHBondContact O-N 3.43Å; E229-I231 PolarHBondContact O-N 2.65Å; E229-I232 PolarHBondContact O-N 3.06Å; E229-H233 WeakPolarHBondContact O-CB 3.33Å; E229-H233 PolarHBondContact O-CD2 2.81Å; E229-H233 PolarHBondContact O-N 3.41Å |
| 230 | K | 85.8 | Confident | 80.3 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 176.7 | 179.3 | 176.5 | 173.6 | -177.1 | 0 | 111.9 | A218 L222 Q226 L227 V228 I232 H233 E234 S257 | A218-K230 PolarHBondContact O-NZ 3.48Å; L222-K230 HydrophobicContact CD1-CD 3.56Å; Q226-K230 WeakPolarHBondContact O-CB 3.43Å; Q226-K230 PolarHBondContact O-N 3.47Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 3.49Å; V228-K230 VanDerWaalsContact C-N 3.29Å; V228-K230 PolarHBondContact O-N 3.04Å; K230-I232 PolarHBondContact O-N 3.01Å; K230-H233 PolarHBondContact O-N 3.27Å; K230-E234 VanDerWaalsContact CE-OE1 3.29Å; K230-E234 WeakPolarHBondContact CE-OE1 3.4Å; K230-E234 WeakPolarHBondContact O-CB 3.15Å; K230-E234 VanDerWaalsContact O-CG 3.28Å; K230-E234 WeakPolarHBondContact O-CG 3.47Å; K230-E234 PolarHBondContact O-N 2.8Å; K230-S257 VanDerWaalsContact CE-OG 3.22Å; K230-S257 WeakPolarHBondContact CE-OG 3.49Å; K230-S257 PolarHBondContact NZ-OG 3.47Å |
| 231 | I | 84.2 | Confident | 78.5 | Confident | 15 Ų | 15 | 75.4 Ų | 75.4 | 8% | 0.077 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 177 | -69.6 | 162.2 | 0 | 0 | 0 | 110.7 | L227 V228 E229 H233 E234 D235 A261 L262 F265 | L227-I231 HydrophobicContact CG-CD1 4.39Å; L227-I231 WeakPolarHBondContact O-CD1 3.34Å; L227-I231 VanDerWaalsContact O-CG1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.27Å; L227-I231 PolarHBondContact O-N 3.21Å; V228-I231 PolarHBondContact O-N 3.4Å; E229-I231 PolarHBondContact O-N 2.65Å; I231-H233 PolarHBondContact O-N 2.96Å; I231-E234 PolarHBondContact O-N 3.32Å; I231-D235 PolarHBondContact O-N 3.32Å; I231-A261 HydrophobicContact CD1-CB 3.86Å; I231-A261 HydrophobicContact CG1-CB 3.77Å; I231-L262 HydrophobicContact CD1-CD2 4.24Å; I231-L262 HydrophobicContact CD1-CG 4.38Å; I231-L262 HydrophobicContact CG1-CG 4.41Å; I231-L262 HydrophobicContact CG2-CD1 4.26Å; I231-L262 HydrophobicContact CG2-CD2 3.61Å; I231-L262 HydrophobicContact CG2-CG 3.85Å; I231-F265 HydrophobicContact CD1-CD2 3.61Å; I231-F265 HydrophobicContact CD1-CE2 3.43Å; I231-F265 VanDerWaalsContact CD1-CE2 3.43Å |
| 232 | I | 82.6 | Confident | 76.4 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 179.7 | -66.5 | 167.5 | 0 | 0 | 0 | 111.2 | V228 E229 K230 E234 D235 A236 | V228-I232 HydrophobicContact CG1-CD1 3.82Å; V228-I232 HydrophobicContact CG1-CG1 4.47Å; V228-I232 WeakPolarHBondContact O-CG1 3.47Å; V228-I232 PolarHBondContact O-N 3.42Å; E229-I232 PolarHBondContact O-N 3.06Å; K230-I232 PolarHBondContact O-N 3.01Å; I232-E234 VanDerWaalsContact C-N 3.32Å; I232-E234 PolarHBondContact O-N 3.23Å; I232-D235 PolarHBondContact O-N 2.85Å; I232-A236 WeakPolarHBondContact O-CB 3.45Å; I232-A236 PolarHBondContact O-N 2.87Å |
| 233 | H | 77.6 | Confident | 74.1 | Confident | 136 Ų | 136 | 76.4 Ų | 76.4 | 63% | 0.63 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 177.2 | -82.9 | -65.6 | 0 | 0 | 0 | 112.1 | E229 K230 I231 A236 S237 | E229-H233 WeakPolarHBondContact O-CB 3.33Å; E229-H233 PolarHBondContact O-CD2 2.81Å; E229-H233 PolarHBondContact O-N 3.41Å; K230-H233 PolarHBondContact O-N 3.27Å; I231-H233 PolarHBondContact O-N 2.96Å; H233-A236 PolarHBondContact O-N 2.84Å; H233-S237 WeakPolarHBondContact O-CB 3.4Å; H233-S237 PolarHBondContact O-N 3.3Å |
| 234 | E | 72 | Confident | 72.1 | Confident | 19 Ų | 19 | 86.6 Ų | 86.6 | 9% | 0.089 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 177.2 | -72.7 | 169.6 | 165.1 | 0 | 0 | 111.4 | K230 I231 I232 S237 G258 | K230-E234 VanDerWaalsContact CE-OE1 3.29Å; K230-E234 WeakPolarHBondContact CE-OE1 3.4Å; K230-E234 WeakPolarHBondContact O-CB 3.15Å; K230-E234 VanDerWaalsContact O-CG 3.28Å; K230-E234 WeakPolarHBondContact O-CG 3.47Å; K230-E234 PolarHBondContact O-N 2.8Å; I231-E234 PolarHBondContact O-N 3.32Å; I232-E234 VanDerWaalsContact C-N 3.32Å; I232-E234 PolarHBondContact O-N 3.23Å; E234-S237 PolarHBondContact O-OG 3.04Å; E234-G258 WeakPolarHBondContact OE2-CA 3.48Å; E234-G258 PolarHBondContact OE2-N 2.87Å |
| 235 | D | 69.4 | Low | 70.2 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 171.7 | -84.3 | -17.4 | 0 | 0 | 0 | 113.1 | I231 I232 S237 K238 | I231-D235 PolarHBondContact O-N 3.32Å; I232-D235 PolarHBondContact O-N 2.85Å; D235-S237 VanDerWaalsContact C-N 3.27Å; D235-S237 PolarHBondContact O-N 3.3Å; D235-K238 WeakPolarHBondContact O-CB 3.45Å; D235-K238 VanDerWaalsContact O-CG 3.29Å; D235-K238 WeakPolarHBondContact O-CG 3.49Å; D235-K238 PolarHBondContact O-N 3.49Å; D235-K238 VanDerWaalsContact O-N 3.08Å; D235-K238 WeakPolarHBondContact OD1-CE 3.32Å; D235-K238 IonicContact OD1-NZ 3.09Å; D235-K238 PolarHBondContact OD1-NZ 3.17Å |
| 236 | A | 67 | Low | 68.4 | Low | 43 Ų | 43 | 87.6 Ų | 87.6 | 36% | 0.355 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.2 | -31.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I232 H233 K238 S239 T240 | I232-A236 WeakPolarHBondContact O-CB 3.45Å; I232-A236 PolarHBondContact O-N 2.87Å; H233-A236 PolarHBondContact O-N 2.84Å; A236-K238 PolarHBondContact O-N 2.97Å; A236-K238 VanDerWaalsContact O-N 3.11Å; A236-S239 PolarHBondContact O-N 2.82Å; A236-S239 PolarHBondContact O-OG 3.3Å; A236-T240 PolarHBondContact O-N 2.98Å |
| 237 | S | 63.3 | Low | 66.9 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 43% | 0.427 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18 | 174.5 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | H233 E234 D235 S239 | H233-S237 WeakPolarHBondContact O-CB 3.4Å; H233-S237 PolarHBondContact O-N 3.3Å; E234-S237 PolarHBondContact O-OG 3.04Å; D235-S237 VanDerWaalsContact C-N 3.27Å; D235-S237 PolarHBondContact O-N 3.3Å; S237-S239 VanDerWaalsContact C-N 3.3Å; S237-S239 PolarHBondContact O-N 3.04Å |
| 238 | K | 60.1 | Low | 65.5 | Low | 134 Ų | 134 | 95.1 Ų | 95.1 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -27.3 | 172.2 | -59.5 | 170.5 | 178.3 | 167.2 | 0 | 112.6 | D235 A236 | D235-K238 WeakPolarHBondContact O-CB 3.45Å; D235-K238 VanDerWaalsContact O-CG 3.29Å; D235-K238 WeakPolarHBondContact O-CG 3.49Å; D235-K238 PolarHBondContact O-N 3.49Å; D235-K238 VanDerWaalsContact O-N 3.08Å; D235-K238 WeakPolarHBondContact OD1-CE 3.32Å; D235-K238 IonicContact OD1-NZ 3.09Å; D235-K238 PolarHBondContact OD1-NZ 3.17Å; A236-K238 PolarHBondContact O-N 2.97Å; A236-K238 VanDerWaalsContact O-N 3.11Å |
| 239 | S | 55.1 | Low | 64.2 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -17.2 | -169.8 | 40.3 | 0 | 0 | 0 | 0 | 115.3 | A236 S237 | A236-S239 PolarHBondContact O-N 2.82Å; A236-S239 PolarHBondContact O-OG 3.3Å; S237-S239 VanDerWaalsContact C-N 3.3Å; S237-S239 PolarHBondContact O-N 3.04Å |
| 240 | T | 54.7 | Low | 63 | Low | 98 Ų | 98 | 95.5 Ų | 95.5 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | trans | -114.6 | 100.2 | -172 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | A236 G242 | A236-T240 PolarHBondContact O-N 2.98Å; T240-G242 PolarHBondContact O-N 3.14Å | ||
| 241 | Q | 50.1 | Low | 62 | Low | 213 Ų | 213 | 96.6 Ų | 96.6 | 100% | 0.995 | 53% | 0.534 | S | S | * | . | trans | -68.9 | 19.6 | 170.7 | -74.8 | -174.3 | -1.9 | 0 | 0 | 114.2 | ||||
| 242 | G | 45.6 | Very low | 61 | Low | 43 Ų | 43 | 101.1 Ų | 101.1 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | trans | -118.9 | 119.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T240 | T240-G242 PolarHBondContact O-N 3.14Š| ||
| 243 | S | 44.9 | Very low | 60.3 | Low | 112 Ų | 112 | 103 Ų | 103 | 78% | 0.783 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 87.8 | 111.2 | 172.2 | 74.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 244 | Y | 52.1 | Low | 59.9 | Low | 215 Ų | 215 | 98.7 Ų | 98.7 | 84% | 0.843 | 54% | 0.54 | S | S | * | . | trans | 41.9 | 110.9 | 178.2 | -62.2 | -81.3 | 0 | 0 | 0 | 116.9 | P246 | Y244-P246 WeakPolarHBondContact O-CD 3.36Å; Y244-P246 VanDerWaalsContact O-N 3.09Å | ||
| 245 | P | 53.9 | Low | 60 | Low | 127 Ų | 127 | 102.9 Ų | 102.9 | 83% | 0.825 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 117.2 | 177.5 | 27.4 | -32 | 0 | 0 | 0 | 109.3 | ||
| 246 | P | 56.9 | Low | 60.5 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 148.5 | 164.8 | 24.9 | -31.7 | 0 | 0 | 0 | 108 | Y244 F248 L251 | Y244-P246 WeakPolarHBondContact O-CD 3.36Å; Y244-P246 VanDerWaalsContact O-N 3.09Å; P246-F248 PolarHBondContact O-N 2.92Å; P246-L251 HydrophobicContact CG-CB 4.23Å; P246-L251 HydrophobicContact CG-CD1 4.16Å |
| 247 | S | 61 | Low | 61.2 | Low | 74 Ų | 74 | 102.2 Ų | 102.2 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 146.3 | 174.4 | 68.2 | 0 | 0 | 0 | 0 | 109.3 | I249 S250 L251 | S247-I249 PolarHBondContact O-N 3.17Å; S247-S250 WeakPolarHBondContact O-CA 3.47Å; S247-S250 WeakPolarHBondContact O-CB 3.38Å; S247-S250 PolarHBondContact O-N 3.42Å; S247-S250 WeakPolarHBondContact OG-CB 3.31Å; S247-S250 PolarHBondContact OG-N 3.49Å; S247-L251 PolarHBondContact O-N 2.86Å |
| 248 | F | 60.9 | Low | 62.2 | Low | 167 Ų | 167 | 99.6 Ų | 99.6 | 73% | 0.732 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -50 | -37.4 | 178.2 | 177.2 | -96.2 | 0 | 0 | 0 | 111.8 | P246 L251 F252 | P246-F248 PolarHBondContact O-N 2.92Å; F248-L251 PolarHBondContact O-N 3.24Å; F248-F252 VanDerWaalsContact O-CB 3.25Å; F248-F252 WeakPolarHBondContact O-CB 3.37Å; F248-F252 PolarHBondContact O-N 3.3Å |
| 249 | I | 63 | Low | 63.4 | Low | 109 Ų | 109 | 98 Ų | 98 | 56% | 0.559 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -50.8 | 175.1 | -62.5 | 175.4 | 0 | 0 | 0 | 110.9 | S247 L251 F252 Y253 | S247-I249 PolarHBondContact O-N 3.17Å; I249-L251 PolarHBondContact O-N 3.46Å; I249-F252 PolarHBondContact O-N 2.78Å; I249-Y253 HydrophobicContact CG2-CD2 3.56Å; I249-Y253 HydrophobicContact CG2-CE2 3.46Å; I249-Y253 VanDerWaalsContact CG2-CE2 3.46Å; I249-Y253 WeakPolarHBondContact O-CD2 3.36Å; I249-Y253 PolarHBondContact O-N 2.94Å |
| 250 | S | 61.8 | Low | 65 | Low | 53 Ų | 53 | 95.7 Ų | 95.7 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 112 | S247 Y253 S254 | S247-S250 WeakPolarHBondContact O-CA 3.47Å; S247-S250 WeakPolarHBondContact O-CB 3.38Å; S247-S250 PolarHBondContact O-N 3.42Å; S247-S250 WeakPolarHBondContact OG-CB 3.31Å; S247-S250 PolarHBondContact OG-N 3.49Å; S250-Y253 PolarHBondContact O-N 3.26Å; S250-S254 WeakPolarHBondContact O-CB 3.23Å; S250-S254 PolarHBondContact O-N 2.86Å; S250-S254 PolarHBondContact O-OG 2.86Å |
| 251 | L | 65.1 | Low | 66.6 | Low | 79 Ų | 79 | 91 Ų | 91 | 41% | 0.414 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 179.4 | -170.8 | 65.4 | 0 | 0 | 0 | 111.3 | P246 S247 F248 I249 S254 F255 | P246-L251 HydrophobicContact CG-CB 4.23Å; P246-L251 HydrophobicContact CG-CD1 4.16Å; S247-L251 PolarHBondContact O-N 2.86Å; F248-L251 PolarHBondContact O-N 3.24Å; I249-L251 PolarHBondContact O-N 3.46Å; L251-S254 PolarHBondContact O-N 2.93Å; L251-F255 VanDerWaalsContact O-CB 3.28Å; L251-F255 WeakPolarHBondContact O-CB 3.48Å; L251-F255 PolarHBondContact O-N 3.39Å |
| 252 | F | 63.9 | Low | 68.3 | Low | 109 Ų | 109 | 83.7 Ų | 83.7 | 48% | 0.478 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.2 | -178.2 | -95 | 0 | 0 | 0 | 112 | F248 I249 R256 | F248-F252 VanDerWaalsContact O-CB 3.25Å; F248-F252 WeakPolarHBondContact O-CB 3.37Å; F248-F252 PolarHBondContact O-N 3.3Å; I249-F252 PolarHBondContact O-N 2.78Å; F252-R256 WeakPolarHBondContact O-CB 3.36Å; F252-R256 PolarHBondContact O-N 3.03Å |
| 253 | Y | 68.7 | Low | 70.3 | Confident | 141 Ų | 141 | 83.2 Ų | 83.2 | 55% | 0.553 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 176.7 | -84.5 | -69.1 | 0 | 0 | 0 | 112.5 | I249 S250 R256 S257 | I249-Y253 HydrophobicContact CG2-CD2 3.56Å; I249-Y253 HydrophobicContact CG2-CE2 3.46Å; I249-Y253 VanDerWaalsContact CG2-CE2 3.46Å; I249-Y253 WeakPolarHBondContact O-CD2 3.36Å; I249-Y253 PolarHBondContact O-N 2.94Å; S250-Y253 PolarHBondContact O-N 3.26Å; Y253-R256 PolarHBondContact O-N 3.17Å; Y253-S257 VanDerWaalsContact O-CB 3.28Å; Y253-S257 WeakPolarHBondContact O-CB 3.36Å; Y253-S257 PolarHBondContact O-N 3.39Å |
| 254 | S | 69.4 | Low | 72.4 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 176.3 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | S250 L251 R256 S257 G258 | S250-S254 WeakPolarHBondContact O-CB 3.23Å; S250-S254 PolarHBondContact O-N 2.86Å; S250-S254 PolarHBondContact O-OG 2.86Å; L251-S254 PolarHBondContact O-N 2.93Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.48Å; S254-S257 WeakPolarHBondContact O-CB 3.35Å; S254-S257 PolarHBondContact O-N 3.42Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S254-G258 PolarHBondContact O-N 3.26Å |
| 255 | F | 74.1 | Confident | 74.2 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57 | -45.1 | 177.4 | 179.4 | -99.8 | 0 | 0 | 0 | 112.3 | L251 G258 L259 | L251-F255 VanDerWaalsContact O-CB 3.28Å; L251-F255 WeakPolarHBondContact O-CB 3.48Å; L251-F255 PolarHBondContact O-N 3.39Å; F255-G258 PolarHBondContact O-N 2.82Å; F255-L259 PolarHBondContact O-N 2.95Å; F255-L259 VanDerWaalsContact O-N 3.11Å |
| 256 | R | 79.4 | Confident | 75.7 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 179 | -167.3 | 166.9 | 85.6 | 108 | -4 | 111.6 | E214 F252 Y253 S254 L259 Y260 | E214-R256 IonicContact OE1-CZ 3.84Å; E214-R256 IonicContact OE1-NH1 3.32Å; E214-R256 PolarHBondContact OE1-NH1 3.24Å; E214-R256 IonicContact OE1-NH2 2.64Å; E214-R256 IonicContact OE2-NH1 2.71Å; F252-R256 WeakPolarHBondContact O-CB 3.36Å; F252-R256 PolarHBondContact O-N 3.03Å; Y253-R256 PolarHBondContact O-N 3.17Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.48Å; R256-L259 PolarHBondContact O-N 2.82Å; R256-Y260 HydrophobicContact CG-CD2 4.02Å; R256-Y260 HydrophobicContact CG-CE2 3.4Å; R256-Y260 VanDerWaalsContact CG-CE2 3.4Å; R256-Y260 PolarHBondContact NH1-OH 3.21Å; R256-Y260 WeakPolarHBondContact O-CD2 3.31Å; R256-Y260 PolarHBondContact O-N 2.9Å; R256-Y260 VanDerWaalsContact O-N 3.15Å |
| 257 | S | 82.2 | Confident | 77.2 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 174.6 | -169.8 | 0 | 0 | 0 | 0 | 112 | A218 K230 Y253 S254 Y260 A261 | A218-S257 WeakPolarHBondContact CA-OG 3.38Å; A218-S257 WeakPolarHBondContact CB-O 3.4Å; A218-S257 WeakPolarHBondContact CB-OG 3.29Å; K230-S257 VanDerWaalsContact CE-OG 3.22Å; K230-S257 WeakPolarHBondContact CE-OG 3.49Å; K230-S257 PolarHBondContact NZ-OG 3.47Å; Y253-S257 VanDerWaalsContact O-CB 3.28Å; Y253-S257 WeakPolarHBondContact O-CB 3.36Å; Y253-S257 PolarHBondContact O-N 3.39Å; S254-S257 WeakPolarHBondContact O-CB 3.35Å; S254-S257 PolarHBondContact O-N 3.42Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S257-Y260 PolarHBondContact O-N 3.46Å; S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 3.44Å |
| 258 | G | 82.5 | Confident | 78.4 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E234 S254 F255 Y260 A261 L262 | E234-G258 WeakPolarHBondContact OE2-CA 3.48Å; E234-G258 PolarHBondContact OE2-N 2.87Å; S254-G258 PolarHBondContact O-N 3.26Å; F255-G258 PolarHBondContact O-N 2.82Å; G258-Y260 VanDerWaalsContact C-N 3.35Å; G258-Y260 PolarHBondContact O-N 3.25Å; G258-A261 PolarHBondContact O-N 3.17Å; G258-L262 WeakPolarHBondContact O-CB 3.42Å; G258-L262 WeakPolarHBondContact O-CG 3.41Å; G258-L262 PolarHBondContact O-N 3.27Å |
| 259 | L | 85.9 | Confident | 79.6 | Confident | 99 Ų | 99 | 64 Ų | 64 | 52% | 0.518 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 175.4 | -173.1 | 64.7 | 0 | 0 | 0 | 112.1 | F255 R256 A263 | F255-L259 PolarHBondContact O-N 2.95Å; F255-L259 VanDerWaalsContact O-N 3.11Å; R256-L259 PolarHBondContact O-N 2.82Å; L259-A263 WeakPolarHBondContact O-CB 3.41Å; L259-A263 PolarHBondContact O-N 2.87Å |
| 260 | Y | 89.3 | Confident | 80.7 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 18% | 0.18 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.2 | -33.5 | 176 | -70.3 | -56.3 | 0 | 0 | 0 | 113.1 | E214 M215 R256 S257 G258 A263 F264 | E214-Y260 HydrophobicContact CB-CD1 4.23Å; E214-Y260 HydrophobicContact CB-CD2 4.06Å; E214-Y260 HydrophobicContact CB-CE1 3.91Å; E214-Y260 HydrophobicContact CB-CE2 3.71Å; E214-Y260 HydrophobicContact CB-CG 4.34Å; E214-Y260 HydrophobicContact CG-CE2 4.43Å; E214-Y260 PolarHBondContact OE1-OH 3.37Å; E214-Y260 WeakPolarHBondContact OE2-CE1 3.38Å; E214-Y260 PolarHBondContact OE2-OH 2.98Å; M215-Y260 HydrophobicContact CG-CD1 4.08Å; R256-Y260 HydrophobicContact CG-CD2 4.02Å; R256-Y260 HydrophobicContact CG-CE2 3.4Å; R256-Y260 VanDerWaalsContact CG-CE2 3.4Å; R256-Y260 PolarHBondContact NH1-OH 3.21Å; R256-Y260 WeakPolarHBondContact O-CD2 3.31Å; R256-Y260 PolarHBondContact O-N 2.9Å; R256-Y260 VanDerWaalsContact O-N 3.15Å; S257-Y260 PolarHBondContact O-N 3.46Å; G258-Y260 VanDerWaalsContact C-N 3.35Å; G258-Y260 PolarHBondContact O-N 3.25Å; Y260-A263 PolarHBondContact O-N 3.02Å; Y260-F264 WeakPolarHBondContact O-CB 3.47Å; Y260-F264 PolarHBondContact O-N 2.98Å |
| 261 | A | 86.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L227 I231 S257 G258 F264 F265 | L227-A261 HydrophobicContact CD1-CB 3.72Å; L227-A261 HydrophobicContact CG-CB 4.26Å; I231-A261 HydrophobicContact CD1-CB 3.86Å; I231-A261 HydrophobicContact CG1-CB 3.77Å; S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 3.44Å; G258-A261 PolarHBondContact O-N 3.17Å; A261-F264 WeakPolarHBondContact O-CB 3.45Å; A261-F264 PolarHBondContact O-N 2.94Å; A261-F265 PolarHBondContact O-N 2.86Å; A261-F265 VanDerWaalsContact O-N 3.15Å |
| 262 | L | 86.4 | Confident | 83.6 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 171.8 | -76.6 | 170.5 | 0 | 0 | 0 | 111.7 | I231 G258 F264 F265 D266 | I231-L262 HydrophobicContact CD1-CD2 4.24Å; I231-L262 HydrophobicContact CD1-CG 4.38Å; I231-L262 HydrophobicContact CG1-CG 4.41Å; I231-L262 HydrophobicContact CG2-CD1 4.26Å; I231-L262 HydrophobicContact CG2-CD2 3.61Å; I231-L262 HydrophobicContact CG2-CG 3.85Å; G258-L262 WeakPolarHBondContact O-CB 3.42Å; G258-L262 WeakPolarHBondContact O-CG 3.41Å; G258-L262 PolarHBondContact O-N 3.27Å; L262-F264 PolarHBondContact O-N 3.38Å; L262-F265 PolarHBondContact O-N 3.5Å; L262-D266 PolarHBondContact O-N 3.44Å |
| 263 | A | 88.5 | Confident | 85 | Confident | 33 Ų | 33 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M215 L259 Y260 S267 | M215-A263 HydrophobicContact CE-CB 4.19Å; L259-A263 WeakPolarHBondContact O-CB 3.41Å; L259-A263 PolarHBondContact O-N 2.87Å; Y260-A263 PolarHBondContact O-N 3.02Å; A263-S267 VanDerWaalsContact O-CB 3.28Å; A263-S267 WeakPolarHBondContact O-CB 3.39Å; A263-S267 PolarHBondContact O-N 3.36Å; A263-S267 PolarHBondContact O-OG 3.14Å |
| 264 | F | 89.5 | Confident | 86.1 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 172.6 | 173 | -105.8 | 0 | 0 | 0 | 110.9 | F180 W206 V219 L227 Y260 A261 L262 S267 S268 T273 | F180-F264 HydrophobicContact CB-CZ 4.4Å; F180-F264 AromaticContact CD1-CE1 3.5Å; F180-F264 HydrophobicContact CD1-CE1 3.5Å; F180-F264 VanDerWaalsContact CD1-CE1 3.5Å; F180-F264 AromaticContact CD1-CZ 3.67Å; F180-F264 HydrophobicContact CD1-CZ 3.67Å; F180-F264 AromaticContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CE1 3.65Å; F180-F264 HydrophobicContact CE1-CZ 4.22Å; F180-F264 AromaticContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CE1 4Å; F180-F264 HydrophobicContact CG-CZ 4.19Å; F180-F264 HydrophobicContact CZ-CE1 4.26Å; W206-F264 AromaticContact CD1-CZ 3.51Å; W206-F264 AromaticContact NE1-CE1 3.48Å; W206-F264 AromaticContact NE1-CZ 3.41Å; V219-F264 HydrophobicContact CG2-CB 4.13Å; V219-F264 HydrophobicContact CG2-CD1 3.91Å; V219-F264 HydrophobicContact CG2-CE1 4.47Å; V219-F264 HydrophobicContact CG2-CG 3.93Å; L227-F264 HydrophobicContact CD2-CD1 4.31Å; Y260-F264 WeakPolarHBondContact O-CB 3.47Å; Y260-F264 PolarHBondContact O-N 2.98Å; A261-F264 WeakPolarHBondContact O-CB 3.45Å; A261-F264 PolarHBondContact O-N 2.94Å; L262-F264 PolarHBondContact O-N 3.38Å; F264-S267 PolarHBondContact O-N 3.13Å; F264-S267 PolarHBondContact O-OG 3.04Å; F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 3.23Å; F264-S268 PolarHBondContact O-OG 2.71Å; F264-T273 HydrophobicContact CE2-CG2 4.14Å |
| 265 | F | 88.1 | Confident | 87.3 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 176.6 | -73.8 | -32.6 | 0 | 0 | 0 | 113.2 | F180 W206 Y224 L227 V228 I231 A261 L262 S267 S268 V269 | F180-F265 HydrophobicContact CE1-CE1 4.37Å; F180-F265 AromaticContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CE1 3.95Å; F180-F265 HydrophobicContact CZ-CZ 4.38Å; W206-F265 HydrophobicContact CH2-CD1 4.1Å; W206-F265 AromaticContact CH2-CE1 3.82Å; W206-F265 HydrophobicContact CH2-CE1 3.82Å; W206-F265 AromaticContact CZ2-CD1 3.54Å; W206-F265 HydrophobicContact CZ2-CD1 3.54Å; W206-F265 AromaticContact CZ2-CE1 3.61Å; W206-F265 HydrophobicContact CZ2-CE1 3.61Å; Y224-F265 AromaticContact CD2-CE1 3.78Å; Y224-F265 HydrophobicContact CD2-CE1 3.78Å; Y224-F265 AromaticContact CD2-CZ 3.71Å; Y224-F265 HydrophobicContact CD2-CZ 3.71Å; Y224-F265 AromaticContact CE2-CE1 3.92Å; Y224-F265 HydrophobicContact CE2-CE1 3.92Å; Y224-F265 AromaticContact CE2-CZ 3.76Å; Y224-F265 HydrophobicContact CE2-CZ 3.76Å; L227-F265 HydrophobicContact CB-CZ 4.32Å; L227-F265 HydrophobicContact CD2-CE1 3.95Å; L227-F265 HydrophobicContact CD2-CE2 4.14Å; L227-F265 HydrophobicContact CD2-CZ 3.63Å; L227-F265 HydrophobicContact CG-CE2 4.28Å; L227-F265 HydrophobicContact CG-CZ 4.06Å; V228-F265 HydrophobicContact CG2-CE2 3.89Å; V228-F265 HydrophobicContact CG2-CZ 3.97Å; I231-F265 HydrophobicContact CD1-CD2 3.61Å; I231-F265 HydrophobicContact CD1-CE2 3.43Å; I231-F265 VanDerWaalsContact CD1-CE2 3.43Å; A261-F265 PolarHBondContact O-N 2.86Å; A261-F265 VanDerWaalsContact O-N 3.15Å; L262-F265 PolarHBondContact O-N 3.5Å; F265-S267 PolarHBondContact O-N 2.99Å; F265-S268 CarbonylContact O-C 3.44Å; F265-S268 PolarHBondContact O-N 3.21Å; F265-V269 PolarHBondContact O-N 3.32Å; F265-V269 VanDerWaalsContact O-N 3.16Å |
| 266 | D | 87.1 | Confident | 88.3 | Confident | 124 Ų | 124 | 50.6 Ų | 50.6 | 66% | 0.663 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.7 | -34.1 | 176.5 | -70.2 | -21.3 | 0 | 0 | 0 | 112.3 | L262 S268 V269 | L262-D266 PolarHBondContact O-N 3.44Å; D266-S268 VanDerWaalsContact C-N 3.35Å; D266-V269 WeakPolarHBondContact O-CG2 3.09Å |
| 267 | S | 86.5 | Confident | 89 | Confident | 86 Ų | 86 | 48 Ų | 48 | 60% | 0.601 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -80.4 | -15 | 176.9 | 74 | 0 | 0 | 0 | 0 | 113.9 | A263 F264 F265 | A263-S267 VanDerWaalsContact O-CB 3.28Å; A263-S267 WeakPolarHBondContact O-CB 3.39Å; A263-S267 PolarHBondContact O-N 3.36Å; A263-S267 PolarHBondContact O-OG 3.14Å; F264-S267 PolarHBondContact O-N 3.13Å; F264-S267 PolarHBondContact O-OG 3.04Å; F265-S267 PolarHBondContact O-N 2.99Å |
| 268 | S | 86.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -129.1 | 32.1 | -170.2 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | W206 F264 F265 D266 S270 Q271 | W206-S268 VanDerWaalsContact NE1-CB 3.29Å; W206-S268 PolarHBondContact NE1-OG 2.82Å; F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 3.23Å; F264-S268 PolarHBondContact O-OG 2.71Å; F265-S268 CarbonylContact O-C 3.44Å; F265-S268 PolarHBondContact O-N 3.21Å; D266-S268 VanDerWaalsContact C-N 3.35Å; S268-S270 PolarHBondContact O-N 3.08Å; S268-S270 VanDerWaalsContact O-N 3.07Å; S268-Q271 WeakPolarHBondContact O-CA 3.43Å; S268-Q271 PolarHBondContact O-N 3.41Å | ||
| 269 | V | 86 | Confident | 90.2 | Very high | 108 Ų | 108 | 50.4 Ų | 50.4 | 66% | 0.655 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -32.5 | 179.8 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | F265 D266 Q271 | F265-V269 PolarHBondContact O-N 3.32Å; F265-V269 VanDerWaalsContact O-N 3.16Å; D266-V269 WeakPolarHBondContact O-CG2 3.09Å; V269-Q271 PolarHBondContact O-N 3.06Å |
| 270 | S | 88.1 | Confident | 90.6 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 3.6 | 178.2 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | S268 L272 R294 I331 | S268-S270 PolarHBondContact O-N 3.08Å; S268-S270 VanDerWaalsContact O-N 3.07Å; S270-L272 PolarHBondContact O-N 3.13Å; S270-L272 VanDerWaalsContact O-N 3.17Å; S270-L272 PolarHBondContact OG-O 3.17Å; S270-R294 WeakPolarHBondContact O-CG 3.37Å; S270-I331 WeakPolarHBondContact OG-CG2 3.14Å |
| 271 | Q | 92.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 54.5 | 27.5 | -174.4 | -54.7 | -178.9 | -4.6 | 0 | 0 | 113.5 | W206 S268 V269 N296 | W206-Q271 WeakPolarHBondContact CB-O 3.21Å; W206-Q271 HydrophobicContact CD2-CB 3.98Å; W206-Q271 HydrophobicContact CD2-CG 4.21Å; W206-Q271 HydrophobicContact CE3-CB 3.85Å; W206-Q271 HydrophobicContact CE3-CG 3.78Å; W206-Q271 HydrophobicContact CG-CB 4.37Å; W206-Q271 HydrophobicContact CH2-CG 4.01Å; W206-Q271 HydrophobicContact CZ2-CG 4.36Å; W206-Q271 HydrophobicContact CZ3-CB 4.31Å; W206-Q271 HydrophobicContact CZ3-CG 3.72Å; S268-Q271 WeakPolarHBondContact O-CA 3.43Å; S268-Q271 PolarHBondContact O-N 3.41Å; V269-Q271 PolarHBondContact O-N 3.06Å; Q271-N296 PolarHBondContact NE2-OD1 2.96Å; Q271-N296 VanDerWaalsContact NE2-OD1 3.13Å |
| 272 | L | 93.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | trans | -142 | 127.8 | 178.4 | -179.7 | 63.4 | 0 | 0 | 0 | 109.3 | S270 L277 L280 L328 I331 | S270-L272 PolarHBondContact O-N 3.13Å; S270-L272 VanDerWaalsContact O-N 3.17Å; S270-L272 PolarHBondContact OG-O 3.17Å; L272-L277 HydrophobicContact CD1-CB 4.2Å; L272-L277 HydrophobicContact CD1-CD1 4.49Å; L272-L280 HydrophobicContact CD1-CD1 4.45Å; L272-L328 HydrophobicContact CD2-CD1 3.94Å; L272-I331 HydrophobicContact CB-CG2 4.43Å; L272-I331 HydrophobicContact CD2-CG1 4.45Å; L272-I331 HydrophobicContact CG-CG1 4.28Å; L272-I331 VanDerWaalsContact O-CG2 3.25Å; L272-I331 WeakPolarHBondContact O-CG2 3.23Å | ||
| 273 | T | 93.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | trans | -111.7 | 160.6 | 178.8 | 68 | 0 | 0 | 0 | 0 | 111.3 | G205 I207 F264 Y275 G276 L277 I331 | G205-T273 PolarHBondContact O-N 3.39Å; G205-T273 PolarHBondContact O-OG1 3.02Å; I207-T273 PolarHBondContact N-OG1 3.24Å; I207-T273 WeakPolarHBondContact O-CB 3.25Å; I207-T273 WeakPolarHBondContact O-CG2 3.31Å; I207-T273 PolarHBondContact O-OG1 3.38Å; F264-T273 HydrophobicContact CE2-CG2 4.14Å; T273-Y275 VanDerWaalsContact C-N 3.29Å; T273-Y275 PolarHBondContact O-N 3.16Å; T273-G276 PolarHBondContact O-N 3.41Å; T273-G276 VanDerWaalsContact O-N 3.17Å; T273-G276 WeakPolarHBondContact OG1-CA 3.4Å; T273-G276 PolarHBondContact OG1-N 3.14Å; T273-L277 WeakPolarHBondContact O-CB 3.13Å; T273-L277 PolarHBondContact O-N 2.65Å; T273-I331 VanDerWaalsContact C-CD1 3.47Å | ||
| 274 | R | 92.7 | Very high | 91.9 | Very high | 193 Ų | 193 | 53.5 Ų | 53.5 | 73% | 0.728 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 179.9 | -72.1 | -170.3 | 179.6 | 100.1 | 5.4 | 110.2 | L277 A278 I331 | R274-L277 PolarHBondContact O-N 3.12Å; R274-A278 PolarHBondContact O-N 3.25Å; R274-A278 VanDerWaalsContact O-N 3.14Å; R274-I331 HydrophobicContact CB-CD1 3.99Å; R274-I331 HydrophobicContact CG-CD1 3.24Å; R274-I331 HydrophobicContact CG-CG1 4.38Å |
| 275 | Y | 94.1 | Very high | 92.2 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.5 | -174.4 | -94.6 | 0 | 0 | 0 | 111.6 | I207 D209 P210 T273 L277 A278 S279 | I207-Y275 HydrophobicContact CB-CD1 4.11Å; I207-Y275 HydrophobicContact CG2-CD1 3.67Å; I207-Y275 HydrophobicContact CG2-CE1 3.76Å; D209-Y275 HydrophobicContact CB-CG 4.21Å; P210-Y275 VanDerWaalsContact CD-CE2 3.48Å; P210-Y275 HydrophobicContact CG-CE1 4.13Å; P210-Y275 HydrophobicContact CG-CE2 4.16Å; T273-Y275 VanDerWaalsContact C-N 3.29Å; T273-Y275 PolarHBondContact O-N 3.16Å; Y275-L277 PolarHBondContact O-N 2.91Å; Y275-A278 PolarHBondContact O-N 3.49Å; Y275-S279 WeakPolarHBondContact O-CB 3.34Å; Y275-S279 PolarHBondContact O-N 2.83Å |
| 276 | G | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G205 T273 S279 L280 | G205-G276 WeakPolarHBondContact O-CA 3.3Å; T273-G276 PolarHBondContact O-N 3.41Å; T273-G276 VanDerWaalsContact O-N 3.17Å; T273-G276 WeakPolarHBondContact OG1-CA 3.4Å; T273-G276 PolarHBondContact OG1-N 3.14Å; G276-S279 WeakPolarHBondContact O-CB 3.4Å; G276-S279 PolarHBondContact O-N 3.36Å; G276-L280 WeakPolarHBondContact O-CG 3.38Å; G276-L280 PolarHBondContact O-N 2.82Å |
| 277 | L | 94.5 | Very high | 92.8 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 174.1 | -176.5 | 61.5 | 0 | 0 | 0 | 112 | L272 T273 R274 Y275 S279 L280 R281 L308 L328 D329 | L272-L277 HydrophobicContact CD1-CB 4.2Å; L272-L277 HydrophobicContact CD1-CD1 4.49Å; T273-L277 WeakPolarHBondContact O-CB 3.13Å; T273-L277 PolarHBondContact O-N 2.65Å; R274-L277 PolarHBondContact O-N 3.12Å; Y275-L277 PolarHBondContact O-N 2.91Å; L277-S279 VanDerWaalsContact C-N 3.33Å; L277-S279 PolarHBondContact O-N 2.97Å; L277-L280 PolarHBondContact O-N 2.88Å; L277-R281 PolarHBondContact O-N 3.36Å; L277-L308 HydrophobicContact CD1-CD1 3.9Å; L277-L328 HydrophobicContact CD1-CD2 4.06Å; L277-L328 HydrophobicContact CD1-CG 3.81Å; L277-D329 VanDerWaalsContact CD2-O 3.29Å; L277-D329 WeakPolarHBondContact CD2-O 3.18Å |
| 278 | A | 94.5 | Very high | 93.2 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R274 Y275 R281 N282 | R274-A278 PolarHBondContact O-N 3.25Å; R274-A278 VanDerWaalsContact O-N 3.14Å; Y275-A278 PolarHBondContact O-N 3.49Å; A278-R281 PolarHBondContact O-N 3.27Å; A278-N282 PolarHBondContact O-N 3.17Å; A278-N282 PolarHBondContact O-ND2 2.93Å |
| 279 | S | 94.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 58.2 Ų | 58.2 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 175.3 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | Y275 G276 L277 R281 N282 A283 | Y275-S279 WeakPolarHBondContact O-CB 3.34Å; Y275-S279 PolarHBondContact O-N 2.83Å; G276-S279 WeakPolarHBondContact O-CB 3.4Å; G276-S279 PolarHBondContact O-N 3.36Å; L277-S279 VanDerWaalsContact C-N 3.33Å; L277-S279 PolarHBondContact O-N 2.97Å; S279-R281 PolarHBondContact O-N 3.11Å; S279-N282 PolarHBondContact O-N 3.44Å; S279-A283 WeakPolarHBondContact O-CB 3.48Å; S279-A283 PolarHBondContact O-N 3.45Å |
| 280 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 175.2 | -79.7 | 169.1 | 0 | 0 | 0 | 111.5 | A183 C203 L272 G276 L277 N282 A283 L284 L292 L308 | A183-L280 HydrophobicContact CB-CD2 3.81Å; A183-L280 HydrophobicContact CB-CG 4.21Å; C203-L280 HydrophobicContact CB-CD2 3.86Å; L272-L280 HydrophobicContact CD1-CD1 4.45Å; G276-L280 WeakPolarHBondContact O-CG 3.38Å; G276-L280 PolarHBondContact O-N 2.82Å; L277-L280 PolarHBondContact O-N 2.88Å; L280-N282 VanDerWaalsContact C-N 3.26Å; L280-N282 PolarHBondContact O-N 3.11Å; L280-A283 PolarHBondContact O-N 3.22Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 PolarHBondContact O-N 2.7Å; L280-L292 HydrophobicContact CD1-CD1 3.84Å; L280-L292 HydrophobicContact CD2-CD1 4.45Å; L280-L308 HydrophobicContact CB-CD1 3.87Å |
| 281 | R | 95 | Very high | 94.7 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 177.1 | -179.9 | 177 | 173.7 | 143 | 11 | 112.1 | L277 A278 S279 K303 G306 L308 | L277-R281 PolarHBondContact O-N 3.36Å; A278-R281 PolarHBondContact O-N 3.27Å; S279-R281 PolarHBondContact O-N 3.11Å; R281-K303 WeakPolarHBondContact O-CE 3.39Å; R281-K303 PolarHBondContact O-NZ 2.89Å; R281-G306 VanDerWaalsContact CD-O 3.27Å; R281-G306 WeakPolarHBondContact CD-O 3.46Å; R281-G306 VanDerWaalsContact CG-O 3.3Å; R281-G306 WeakPolarHBondContact CG-O 3.22Å; R281-G306 PolarHBondContact NE-O 3.28Å; R281-G306 PolarHBondContact NH2-O 3.26Å; R281-L308 HydrophobicContact CB-CD1 4.27Å; R281-L308 HydrophobicContact CB-CG 4.45Å |
| 282 | N | 94.3 | Very high | 95 | Very high | 134 Ų | 134 | 50.5 Ų | 50.5 | 72% | 0.717 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -80.6 | -35.2 | 179.4 | -69.1 | -23.4 | 0 | 0 | 0 | 112.9 | A278 S279 L280 | A278-N282 PolarHBondContact O-N 3.17Å; A278-N282 PolarHBondContact O-ND2 2.93Å; S279-N282 PolarHBondContact O-N 3.44Å; L280-N282 VanDerWaalsContact C-N 3.26Å; L280-N282 PolarHBondContact O-N 3.11Å |
| 283 | A | 94.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -79.8 | -34.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F184 S279 L280 | F184-A283 HydrophobicContact CE2-CB 3.63Å; F184-A283 HydrophobicContact CZ-CB 3.69Å; S279-A283 WeakPolarHBondContact O-CB 3.48Å; S279-A283 PolarHBondContact O-N 3.45Å; L280-A283 PolarHBondContact O-N 3.22Å |
| 284 | L | 95.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -76.8 | 137.2 | 177.6 | -71.5 | 169.9 | 0 | 0 | 0 | 111.6 | F184 L280 A290 I301 K303 L308 | F184-L284 HydrophobicContact CE1-CD2 4.42Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 PolarHBondContact O-N 2.7Å; L284-A290 HydrophobicContact CD2-CB 3.88Å; L284-I301 HydrophobicContact CD1-CD1 3.96Å; L284-I301 HydrophobicContact CD1-CG1 4.26Å; L284-I301 HydrophobicContact CD1-CG2 4.21Å; L284-K303 HydrophobicContact CB-CB 4.34Å; L284-K303 HydrophobicContact CB-CD 4.29Å; L284-K303 WeakPolarHBondContact O-CD 3.35Å; L284-K303 PolarHBondContact O-NZ 3.16Å; L284-L308 HydrophobicContact CD1-CD2 3.79Å |
| 285 | Q | 95.3 | Very high | 95 | Very high | 146 Ų | 146 | 48.5 Ų | 48.5 | 68% | 0.682 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 150.4 | 173.9 | -65.1 | -179.8 | -7.2 | 0 | 0 | 110.8 | G287 H288 | Q285-G287 PolarHBondContact O-N 3.35Å; Q285-H288 HydrophobicContact CB-CB 4.11Å; Q285-H288 WeakPolarHBondContact O-CB 3.28Å; Q285-H288 PolarHBondContact O-N 3.48Å |
| 286 | E | 94.9 | Very high | 94.8 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 131.3 | 175.3 | -68.3 | -68.6 | 165.1 | 0 | 0 | 110.7 | H288 K303 R304 N305 G306 | E286-H288 PolarHBondContact O-N 3.13Å; E286-K303 WeakPolarHBondContact OE1-CE 3.45Å; E286-R304 VanDerWaalsContact OE2-C 3.25Å; E286-R304 WeakPolarHBondContact OE2-CA 3.45Å; E286-R304 PolarHBondContact OE2-N 2.63Å; E286-N305 PolarHBondContact OE2-N 3.47Å; E286-G306 WeakPolarHBondContact OE1-CA 3.16Å; E286-G306 PolarHBondContact OE1-N 2.89Å |
| 287 | G | 93 | Very high | 94.7 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -4.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q285 K303 | Q285-G287 PolarHBondContact O-N 3.35Å; G287-K303 PolarHBondContact N-O 3.3Å |
| 288 | H | 95.2 | Very high | 94.8 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 28% | 0.282 | 27% | 0.27 | S | S | . | . | trans | -71.9 | 141.9 | 178.4 | -171 | 63.1 | 0 | 0 | 0 | 111.2 | T201 Q285 E286 T302 | T201-H288 PolarHBondContact OG1-NE2 3.28Å; Q285-H288 HydrophobicContact CB-CB 4.11Å; Q285-H288 WeakPolarHBondContact O-CB 3.28Å; Q285-H288 PolarHBondContact O-N 3.48Å; E286-H288 PolarHBondContact O-N 3.13Å; H288-T302 WeakPolarHBondContact O-CA 3.34Å; H288-T302 WeakPolarHBondContact O-CB 3.39Å; H288-T302 PolarHBondContact O-OG1 3.14Å | ||
| 289 | L | 96.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126 | 175 | -66.5 | 172.4 | 0 | 0 | 0 | 109.7 | W89 L113 L116 R117 V300 W325 | W89-L289 HydrophobicContact CH2-CD2 4.4Å; W89-L289 HydrophobicContact CZ2-CD1 4.36Å; W89-L289 HydrophobicContact CZ2-CD2 4.08Å; L113-L289 HydrophobicContact CD1-CB 4.11Å; L113-L289 HydrophobicContact CG-CB 4.04Å; L116-L289 HydrophobicContact CB-CD1 3.65Å; L116-L289 HydrophobicContact CD1-CD2 4.37Å; R117-L289 HydrophobicContact CG-CD1 3.87Å; R117-L289 PolarHBondContact NH2-O 2.85Å; L289-V300 HydrophobicContact CD2-CG1 4.22Å; L289-W325 HydrophobicContact CD2-CH2 4.18Å |
| 290 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 170.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T201 L284 I301 | T201-A290 HydrophobicContact CG2-CB 4.5Å; T201-A290 WeakPolarHBondContact O-CA 3.27Å; T201-A290 VanDerWaalsContact O-CB 3.32Å; T201-A290 WeakPolarHBondContact O-CB 3.45Å; L284-A290 HydrophobicContact CD2-CB 3.88Å; A290-I301 HydrophobicContact CB-CG2 3.79Å; A290-I301 PolarHBondContact N-O 3.5Å; A290-I301 PolarHBondContact O-N 3.2Å |
| 291 | V | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125 | 171.9 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | A109 L113 F195 I200 T201 L202 C203 F298 S299 | A109-V291 HydrophobicContact CB-CG1 4.02Å; A109-V291 HydrophobicContact CB-CG2 4.28Å; L113-V291 HydrophobicContact CD1-CG2 3.88Å; F195-V291 HydrophobicContact CE1-CB 4.25Å; F195-V291 HydrophobicContact CE1-CG1 4.21Å; F195-V291 HydrophobicContact CE1-CG2 4.17Å; I200-V291 HydrophobicContact CG2-CB 4.31Å; I200-V291 HydrophobicContact CG2-CG2 3.58Å; T201-V291 PolarHBondContact O-N 3.29Å; L202-V291 HydrophobicContact CD1-CB 4.14Å; L202-V291 HydrophobicContact CD1-CG1 3.9Å; C203-V291 PolarHBondContact N-O 3.41Å; C203-V291 PolarHBondContact SG-O 3.3Å; V291-F298 HydrophobicContact CG1-CB 4.05Å; V291-F298 HydrophobicContact CG1-CD1 3.75Å; V291-F298 HydrophobicContact CG1-CG 4.4Å; V291-S299 CarbonylContact C-O 3.57Å; V291-S299 WeakPolarHBondContact CA-O 3.29Å |
| 292 | L | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.4 | 173.9 | 178.5 | 72.4 | 0 | 0 | 0 | 109.7 | C203 L280 R294 F298 S299 I301 L310 L328 | C203-L292 CarbonylContact O-C 3.42Å; C203-L292 WeakPolarHBondContact O-CA 3.12Å; L280-L292 HydrophobicContact CD1-CD1 3.84Å; L280-L292 HydrophobicContact CD2-CD1 4.45Å; L292-R294 HydrophobicContact CD2-CB 4.22Å; L292-R294 HydrophobicContact CG-CB 4.33Å; L292-F298 WeakPolarHBondContact O-CA 3.27Å; L292-S299 PolarHBondContact N-O 3.07Å; L292-S299 PolarHBondContact O-N 3.11Å; L292-I301 HydrophobicContact CB-CB 4.06Å; L292-I301 HydrophobicContact CB-CD1 4.43Å; L292-I301 HydrophobicContact CB-CG2 3.95Å; L292-I301 HydrophobicContact CD2-CD1 4.3Å; L292-L310 HydrophobicContact CB-CD2 4.43Å; L292-L310 HydrophobicContact CD2-CD1 4.45Å; L292-L310 HydrophobicContact CD2-CD2 3.72Å; L292-L328 HydrophobicContact CD2-CD2 3.8Å |
| 293 | F | 95.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.6 | 163.6 | 179.4 | -103.4 | 0 | 0 | 0 | 110.2 | V176 V178 F186 C203 H204 H297 F298 | V176-F293 HydrophobicContact CG2-CD1 3.81Å; V176-F293 HydrophobicContact CG2-CD2 3.52Å; V176-F293 HydrophobicContact CG2-CE1 3.7Å; V176-F293 HydrophobicContact CG2-CE2 3.37Å; V176-F293 HydrophobicContact CG2-CG 3.72Å; V176-F293 HydrophobicContact CG2-CZ 3.47Å; V176-F293 VanDerWaalsContact CG2-CZ 3.47Å; V178-F293 HydrophobicContact CG1-CD1 3.87Å; V178-F293 HydrophobicContact CG1-CE1 4.1Å; F186-F293 HydrophobicContact CE1-CB 4.44Å; C203-F293 PolarHBondContact O-N 3.1Å; H204-F293 HydrophobicContact CB-CB 4.49Å; F293-H297 WeakPolarHBondContact CA-O 3.37Å; F293-F298 HydrophobicContact CB-CD1 4.39Å; F293-F298 HydrophobicContact CB-CE1 4.21Å; F293-F298 HydrophobicContact CD2-CD1 4.2Å; F293-F298 HydrophobicContact CD2-CD2 4.14Å; F293-F298 AromaticContact CD2-CE1 3.78Å; F293-F298 HydrophobicContact CD2-CE1 3.78Å; F293-F298 AromaticContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CG 4.38Å; F293-F298 AromaticContact CD2-CZ 3.51Å; F293-F298 HydrophobicContact CD2-CZ 3.51Å; F293-F298 AromaticContact CE2-CE2 3.94Å; F293-F298 HydrophobicContact CE2-CE2 3.94Å; F293-F298 AromaticContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CG-CE1 4.39Å; F293-F298 HydrophobicContact CG-CZ 4.46Å |
| 294 | R | 94.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 38.7 Ų | 38.7 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 134.4 | 176.5 | 179.3 | -171.8 | 175.4 | -169.5 | 0.4 | 110 | S270 L292 N296 H297 L328 I331 | S270-R294 WeakPolarHBondContact O-CG 3.37Å; L292-R294 HydrophobicContact CD2-CB 4.22Å; L292-R294 HydrophobicContact CG-CB 4.33Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.29Å; R294-H297 PolarHBondContact N-O 2.92Å; R294-H297 WeakPolarHBondContact O-CA 3.28Å; R294-H297 VanDerWaalsContact O-CB 3.31Å; R294-H297 WeakPolarHBondContact O-CB 3.48Å; R294-H297 PolarHBondContact O-N 3.16Å; R294-L328 VanDerWaalsContact NH1-CD1 3.3Å; R294-I331 PolarHBondContact NH2-O 3.38Å; R294-I331 VanDerWaalsContact NH2-O 3.12Å |
| 295 | N | 90.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 47.3 | 176.2 | -166.8 | 39.1 | 0 | 0 | 0 | 112.8 | H297 | N295-H297 PolarHBondContact O-N 2.8Å; N295-H297 VanDerWaalsContact O-N 3.14Å |
| 296 | N | 89.8 | Confident | 95.1 | Very high | 119 Ų | 119 | 38.7 Ų | 38.7 | 64% | 0.636 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 24.8 | -175.7 | -54.7 | -27.7 | 0 | 0 | 0 | 114.3 | Q271 R294 | Q271-N296 PolarHBondContact NE2-OD1 2.96Å; Q271-N296 VanDerWaalsContact NE2-OD1 3.13Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.29Å |
| 297 | H | 93 | Very high | 95 | Very high | 42 Ų | 42 | 36 Ų | 36 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.8 | -179.4 | -171 | -87.7 | 0 | 0 | 0 | 110.9 | Q99 C105 F293 R294 N295 S299 | Q99-H297 PolarHBondContact NE2-CE1 2.6Å; Q99-H297 PolarHBondContact NE2-NE2 2.92Å; Q99-H297 PolarHBondContact OE1-NE2 2.81Å; C105-H297 WeakPolarHBondContact CB-NE2 3.32Å; F293-H297 WeakPolarHBondContact CA-O 3.37Å; R294-H297 PolarHBondContact N-O 2.92Å; R294-H297 WeakPolarHBondContact O-CA 3.28Å; R294-H297 VanDerWaalsContact O-CB 3.31Å; R294-H297 WeakPolarHBondContact O-CB 3.48Å; R294-H297 PolarHBondContact O-N 3.16Å; N295-H297 PolarHBondContact O-N 2.8Å; N295-H297 VanDerWaalsContact O-N 3.14Å; H297-S299 PolarHBondContact CE1-OG 3.04Å; H297-S299 PolarHBondContact ND1-OG 3.03Å |
| 298 | F | 95.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.9 | 174.9 | -65.9 | -97.9 | 0 | 0 | 0 | 109.9 | P106 A109 L174 V176 F195 L202 V291 L292 F293 | P106-F298 HydrophobicContact CB-CD2 3.99Å; P106-F298 HydrophobicContact CB-CE2 4.25Å; P106-F298 HydrophobicContact CB-CG 4.29Å; P106-F298 HydrophobicContact CG-CD2 3.64Å; P106-F298 HydrophobicContact CG-CE2 3.81Å; P106-F298 HydrophobicContact CG-CG 4.4Å; A109-F298 HydrophobicContact CB-CB 3.82Å; L174-F298 HydrophobicContact CB-CE2 4.12Å; L174-F298 HydrophobicContact CB-CZ 4.09Å; L174-F298 HydrophobicContact CD2-CE1 4.41Å; L174-F298 HydrophobicContact CD2-CZ 4.17Å; V176-F298 HydrophobicContact CB-CZ 4.49Å; V176-F298 HydrophobicContact CG1-CE1 4.07Å; V176-F298 HydrophobicContact CG1-CZ 3.73Å; V176-F298 HydrophobicContact CG2-CE1 4.49Å; V176-F298 HydrophobicContact CG2-CZ 3.91Å; F195-F298 HydrophobicContact CZ-CD1 4.39Å; F195-F298 HydrophobicContact CZ-CE1 4.24Å; L202-F298 HydrophobicContact CD1-CD1 4.13Å; L202-F298 HydrophobicContact CD1-CE1 3.96Å; V291-F298 HydrophobicContact CG1-CB 4.05Å; V291-F298 HydrophobicContact CG1-CD1 3.75Å; V291-F298 HydrophobicContact CG1-CG 4.4Å; L292-F298 WeakPolarHBondContact O-CA 3.27Å; F293-F298 HydrophobicContact CB-CD1 4.39Å; F293-F298 HydrophobicContact CB-CE1 4.21Å; F293-F298 HydrophobicContact CD2-CD1 4.2Å; F293-F298 HydrophobicContact CD2-CD2 4.14Å; F293-F298 AromaticContact CD2-CE1 3.78Å; F293-F298 HydrophobicContact CD2-CE1 3.78Å; F293-F298 AromaticContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CE2 3.7Å; F293-F298 HydrophobicContact CD2-CG 4.38Å; F293-F298 AromaticContact CD2-CZ 3.51Å; F293-F298 HydrophobicContact CD2-CZ 3.51Å; F293-F298 AromaticContact CE2-CE2 3.94Å; F293-F298 HydrophobicContact CE2-CE2 3.94Å; F293-F298 AromaticContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CE2-CZ 3.98Å; F293-F298 HydrophobicContact CG-CE1 4.39Å; F293-F298 HydrophobicContact CG-CZ 4.46Å |
| 299 | S | 95.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.7 | 179.6 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | V291 L292 H297 I301 | V291-S299 CarbonylContact C-O 3.57Å; V291-S299 WeakPolarHBondContact CA-O 3.29Å; L292-S299 PolarHBondContact N-O 3.07Å; L292-S299 PolarHBondContact O-N 3.11Å; H297-S299 PolarHBondContact CE1-OG 3.04Å; H297-S299 PolarHBondContact ND1-OG 3.03Å; S299-I301 PolarHBondContact O-N 3.21Å |
| 300 | V | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.2 | 170.3 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | A109 N112 L113 L116 L289 L310 L311 | A109-V300 HydrophobicContact CB-CG2 4.49Å; A109-V300 VanDerWaalsContact O-CG2 3.27Å; A109-V300 WeakPolarHBondContact O-CG2 3.49Å; N112-V300 HydrophobicContact CB-CG2 4.05Å; L113-V300 HydrophobicContact CB-CG1 4.24Å; L113-V300 HydrophobicContact CB-CG2 4.01Å; L113-V300 HydrophobicContact CD1-CG1 4.5Å; L116-V300 HydrophobicContact CD1-CG1 4.21Å; L289-V300 HydrophobicContact CD2-CG1 4.22Å; V300-L310 CarbonylContact O-C 3.5Å; V300-L310 WeakPolarHBondContact O-CA 3.35Å; V300-L311 HydrophobicContact CB-CB 3.86Å; V300-L311 HydrophobicContact CB-CD2 4.26Å; V300-L311 HydrophobicContact CG2-CD2 4.25Å; V300-L311 PolarHBondContact O-N 2.92Å |
| 301 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.7 | 178 | -170.9 | 171.9 | 0 | 0 | 0 | 110.8 | L284 A290 L292 S299 L308 Y309 L310 L328 | L284-I301 HydrophobicContact CD1-CD1 3.96Å; L284-I301 HydrophobicContact CD1-CG1 4.26Å; L284-I301 HydrophobicContact CD1-CG2 4.21Å; A290-I301 HydrophobicContact CB-CG2 3.79Å; A290-I301 PolarHBondContact N-O 3.5Å; A290-I301 PolarHBondContact O-N 3.2Å; L292-I301 HydrophobicContact CB-CB 4.06Å; L292-I301 HydrophobicContact CB-CD1 4.43Å; L292-I301 HydrophobicContact CB-CG2 3.95Å; L292-I301 HydrophobicContact CD2-CD1 4.3Å; S299-I301 PolarHBondContact O-N 3.21Å; I301-L308 HydrophobicContact CD1-CB 4.29Å; I301-L308 HydrophobicContact CD1-CD1 4.27Å; I301-L308 HydrophobicContact CD1-CD2 4.2Å; I301-L308 HydrophobicContact CD1-CG 4.49Å; I301-Y309 CarbonylContact C-O 3.57Å; I301-Y309 VanDerWaalsContact CA-O 3.3Å; I301-Y309 WeakPolarHBondContact CA-O 3.47Å; I301-Y309 WeakPolarHBondContact CG1-O 3.43Å; I301-L310 HydrophobicContact CB-CD2 3.77Å; I301-L310 HydrophobicContact CD1-CD2 4.08Å; I301-L310 HydrophobicContact CG1-CD2 3.84Å; I301-L328 HydrophobicContact CD1-CD2 4.01Å |
| 302 | T | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 163.3 | 169.3 | -162.3 | 0 | 0 | 0 | 0 | 111.5 | H288 L308 Y309 W325 F342 | H288-T302 WeakPolarHBondContact O-CA 3.34Å; H288-T302 WeakPolarHBondContact O-CB 3.39Å; H288-T302 PolarHBondContact O-OG1 3.14Å; T302-L308 WeakPolarHBondContact O-CA 3.35Å; T302-Y309 PolarHBondContact N-O 3.36Å; T302-Y309 PolarHBondContact O-N 2.87Å; T302-W325 HydrophobicContact CG2-CE3 4.06Å; T302-W325 HydrophobicContact CG2-CH2 3.94Å; T302-W325 HydrophobicContact CG2-CZ2 4.41Å; T302-W325 HydrophobicContact CG2-CZ3 3.74Å; T302-F342 HydrophobicContact CG2-CE1 3.79Å; T302-F342 HydrophobicContact CG2-CZ 3.83Å |
| 303 | K | 96.5 | Very high | 95.1 | Very high | 26 Ų | 26 | 34 Ų | 34 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.1 | 176.2 | -175.9 | -177.2 | 171.7 | -176.2 | 0 | 109.6 | R281 L284 E286 G287 S307 L308 | R281-K303 WeakPolarHBondContact O-CE 3.39Å; R281-K303 PolarHBondContact O-NZ 2.89Å; L284-K303 HydrophobicContact CB-CB 4.34Å; L284-K303 HydrophobicContact CB-CD 4.29Å; L284-K303 WeakPolarHBondContact O-CD 3.35Å; L284-K303 PolarHBondContact O-NZ 3.16Å; E286-K303 WeakPolarHBondContact OE1-CE 3.45Å; G287-K303 PolarHBondContact N-O 3.3Å; K303-S307 CarbonylContact C-O 3.57Å; K303-S307 WeakPolarHBondContact CA-O 3.49Å; K303-L308 HydrophobicContact CB-CD2 3.98Å; K303-L308 HydrophobicContact CG-CD2 4.18Å |
| 304 | R | 94.7 | Very high | 95 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 128.8 | 174.4 | -168.7 | 171.5 | 171.4 | 165.5 | -11.9 | 110.9 | E286 G306 S307 Y309 D341 F342 | E286-R304 VanDerWaalsContact OE2-C 3.25Å; E286-R304 WeakPolarHBondContact OE2-CA 3.45Å; E286-R304 PolarHBondContact OE2-N 2.63Å; R304-G306 PolarHBondContact O-N 3.13Å; R304-S307 PolarHBondContact N-O 3.01Å; R304-S307 PolarHBondContact O-N 2.86Å; R304-Y309 HydrophobicContact CB-CD2 4.17Å; R304-Y309 HydrophobicContact CB-CE2 3.8Å; R304-Y309 WeakPolarHBondContact O-CE2 3.38Å; R304-D341 PolarHBondContact NH2-O 3.26Å; R304-F342 HydrophobicContact CB-CD1 4.11Å; R304-F342 HydrophobicContact CB-CE1 4.05Å; R304-F342 HydrophobicContact CB-CZ 4.41Å; R304-F342 VanDerWaalsContact CD-CG 3.43Å; R304-F342 VanDerWaalsContact CZ-CD2 3.47Å |
| 305 | N | 93.1 | Very high | 94.9 | Very high | 140 Ų | 140 | 37.6 Ų | 37.6 | 75% | 0.749 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 37.7 | -179.9 | -61.7 | -23.5 | 0 | 0 | 0 | 112.6 | E286 S307 | E286-N305 PolarHBondContact OE2-N 3.47Å; N305-S307 PolarHBondContact O-N 3.43Å |
| 306 | G | 92.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R281 E286 R304 | R281-G306 VanDerWaalsContact CD-O 3.27Å; R281-G306 WeakPolarHBondContact CD-O 3.46Å; R281-G306 VanDerWaalsContact CG-O 3.3Å; R281-G306 WeakPolarHBondContact CG-O 3.22Å; R281-G306 PolarHBondContact NE-O 3.28Å; R281-G306 PolarHBondContact NH2-O 3.26Å; E286-G306 WeakPolarHBondContact OE1-CA 3.16Å; E286-G306 PolarHBondContact OE1-N 2.89Å; R304-G306 PolarHBondContact O-N 3.13Å |
| 307 | S | 94.6 | Very high | 95 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 149.6 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | K303 R304 N305 Y309 | K303-S307 CarbonylContact C-O 3.57Å; K303-S307 WeakPolarHBondContact CA-O 3.49Å; R304-S307 PolarHBondContact N-O 3.01Å; R304-S307 PolarHBondContact O-N 2.86Å; N305-S307 PolarHBondContact O-N 3.43Å; S307-Y309 WeakPolarHBondContact O-CD2 2.98Å; S307-Y309 WeakPolarHBondContact O-CE2 3.36Å |
| 308 | L | 96.7 | Very high | 95 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 143 | 176.7 | -64 | 175.1 | 0 | 0 | 0 | 110.1 | L277 L280 R281 L284 I301 T302 K303 L328 | L277-L308 HydrophobicContact CD1-CD1 3.9Å; L280-L308 HydrophobicContact CB-CD1 3.87Å; R281-L308 HydrophobicContact CB-CD1 4.27Å; R281-L308 HydrophobicContact CB-CG 4.45Å; L284-L308 HydrophobicContact CD1-CD2 3.79Å; I301-L308 HydrophobicContact CD1-CB 4.29Å; I301-L308 HydrophobicContact CD1-CD1 4.27Å; I301-L308 HydrophobicContact CD1-CD2 4.2Å; I301-L308 HydrophobicContact CD1-CG 4.49Å; T302-L308 WeakPolarHBondContact O-CA 3.35Å; K303-L308 HydrophobicContact CB-CD2 3.98Å; K303-L308 HydrophobicContact CG-CD2 4.18Å; L308-L328 HydrophobicContact CB-CB 4.05Å; L308-L328 HydrophobicContact CD1-CD2 4.47Å; L308-L328 PolarHBondContact O-N 2.94Å |
| 309 | Y | 97.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139 | -178.4 | -59 | -89.5 | 0 | 0 | 0 | 110.8 | I301 T302 R304 S307 W325 E326 T327 V338 F342 | I301-Y309 CarbonylContact C-O 3.57Å; I301-Y309 VanDerWaalsContact CA-O 3.3Å; I301-Y309 WeakPolarHBondContact CA-O 3.47Å; I301-Y309 WeakPolarHBondContact CG1-O 3.43Å; T302-Y309 PolarHBondContact N-O 3.36Å; T302-Y309 PolarHBondContact O-N 2.87Å; R304-Y309 HydrophobicContact CB-CD2 4.17Å; R304-Y309 HydrophobicContact CB-CE2 3.8Å; R304-Y309 WeakPolarHBondContact O-CE2 3.38Å; S307-Y309 WeakPolarHBondContact O-CD2 2.98Å; S307-Y309 WeakPolarHBondContact O-CE2 3.36Å; Y309-W325 HydrophobicContact CD1-CB 4.42Å; Y309-E326 CarbonylContact C-O 3.46Å; Y309-E326 VanDerWaalsContact CA-O 3.24Å; Y309-E326 WeakPolarHBondContact CA-O 3.23Å; Y309-T327 HydrophobicContact CD1-CG2 4.09Å; Y309-T327 HydrophobicContact CE1-CG2 3.8Å; Y309-V338 HydrophobicContact CD1-CG2 3.68Å; Y309-V338 HydrophobicContact CE1-CG1 4.16Å; Y309-V338 HydrophobicContact CE1-CG2 3.76Å; Y309-F342 AromaticContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CE1 4.25Å; Y309-F342 AromaticContact CD2-CD1 3.56Å; Y309-F342 HydrophobicContact CD2-CD1 3.56Å; Y309-F342 AromaticContact CD2-CE1 3.57Å; Y309-F342 HydrophobicContact CD2-CE1 3.57Å; Y309-F342 AromaticContact CE1-CD1 3.87Å; Y309-F342 HydrophobicContact CE1-CD1 3.87Å; Y309-F342 AromaticContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CE1 4.1Å; Y309-F342 AromaticContact CG-CD1 3.62Å; Y309-F342 HydrophobicContact CG-CD1 3.62Å; Y309-F342 AromaticContact CG-CE1 3.65Å; Y309-F342 HydrophobicContact CG-CE1 3.65Å; Y309-F342 AromaticContact CZ-CD1 3.81Å |
| 310 | L | 96.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.5 | 175.9 | -59.7 | 179.1 | 0 | 0 | 0 | 110.1 | L292 V300 I301 V312 W325 E326 L328 | L292-L310 HydrophobicContact CB-CD2 4.43Å; L292-L310 HydrophobicContact CD2-CD1 4.45Å; L292-L310 HydrophobicContact CD2-CD2 3.72Å; V300-L310 CarbonylContact O-C 3.5Å; V300-L310 WeakPolarHBondContact O-CA 3.35Å; I301-L310 HydrophobicContact CB-CD2 3.77Å; I301-L310 HydrophobicContact CD1-CD2 4.08Å; I301-L310 HydrophobicContact CG1-CD2 3.84Å; L310-V312 PolarHBondContact O-N 2.7Å; L310-W325 VanDerWaalsContact C-CE3 3.47Å; L310-W325 CarbonylContact O-C 3.55Å; L310-W325 VanDerWaalsContact O-CA 3.25Å; L310-W325 WeakPolarHBondContact O-CA 3.22Å; L310-E326 PolarHBondContact N-O 2.79Å; L310-E326 PolarHBondContact O-N 2.91Å; L310-L328 HydrophobicContact CD1-CB 4.37Å; L310-L328 HydrophobicContact CD1-CD1 4.14Å; L310-L328 HydrophobicContact CD1-CD2 4.37Å; L310-L328 HydrophobicContact CD2-CD2 4.26Å; L310-L328 HydrophobicContact CG-CB 4.21Å; L310-L328 HydrophobicContact CG-CD2 4.42Å |
| 311 | L | 97.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.1 | 176.3 | -174 | 72.1 | 0 | 0 | 0 | 109.9 | I96 N112 L116 V300 T313 V324 W325 | I96-L311 HydrophobicContact CB-CD2 4.48Å; I96-L311 HydrophobicContact CD1-CD1 4.16Å; I96-L311 HydrophobicContact CD1-CD2 4.46Å; I96-L311 HydrophobicContact CD1-CG 4.38Å; I96-L311 HydrophobicContact CG2-CD2 4.18Å; N112-L311 HydrophobicContact CB-CD2 3.76Å; L116-L311 HydrophobicContact CD1-CD1 4.4Å; L116-L311 HydrophobicContact CD1-CD2 4.11Å; V300-L311 HydrophobicContact CB-CB 3.86Å; V300-L311 HydrophobicContact CB-CD2 4.26Å; V300-L311 HydrophobicContact CG2-CD2 4.25Å; V300-L311 PolarHBondContact O-N 2.92Å; L311-T313 HydrophobicContact CD2-CG2 4.13Å; L311-T313 HydrophobicContact CG-CG2 4.3Å; L311-T313 PolarHBondContact O-N 3.38Å; L311-V324 HydrophobicContact CD1-CG1 4.16Å; L311-W325 HydrophobicContact CB-CE3 4.1Å; L311-W325 HydrophobicContact CB-CH2 4.19Å; L311-W325 HydrophobicContact CB-CZ3 3.73Å; L311-W325 HydrophobicContact CD1-CD2 4.32Å; L311-W325 HydrophobicContact CD1-CE3 4.33Å; L311-W325 HydrophobicContact CD1-CH2 3.95Å; L311-W325 HydrophobicContact CD1-CZ2 3.95Å; L311-W325 HydrophobicContact CD1-CZ3 4.16Å |
| 312 | V | 95.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | trans | -78.1 | 108.6 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 109 | L310 F317 V324 E326 F337 | L310-V312 PolarHBondContact O-N 2.7Å; V312-F317 HydrophobicContact CG1-CB 4.05Å; V312-F317 HydrophobicContact CG1-CD2 3.5Å; V312-F317 HydrophobicContact CG1-CE2 4.2Å; V312-F317 HydrophobicContact CG1-CG 3.95Å; V312-V324 PolarHBondContact N-O 2.84Å; V312-E326 HydrophobicContact CG2-CB 4.02Å; V312-F337 HydrophobicContact CG2-CD1 3.83Å; V312-F337 HydrophobicContact CG2-CE1 3.86Å | ||
| 313 | T | 95.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | trans | -108.6 | -3.7 | -179.4 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | T98 Q99 N112 L311 Q315 | T98-T313 CarbonylContact C-O 3.59Å; T98-T313 WeakPolarHBondContact CA-O 3.37Å; T98-T313 WeakPolarHBondContact CB-O 3.38Å; Q99-T313 PolarHBondContact N-O 3.46Å; Q99-T313 PolarHBondContact NE2-OG1 3.49Å; N112-T313 WeakPolarHBondContact ND2-CG2 3.29Å; L311-T313 HydrophobicContact CD2-CG2 4.13Å; L311-T313 HydrophobicContact CG-CG2 4.3Å; L311-T313 PolarHBondContact O-N 3.38Å; T313-Q315 PolarHBondContact O-N 3.45Å | ||
| 314 | D | 93.8 | Very high | 93.6 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 128 | 178.8 | -175.3 | -15.3 | 0 | 0 | 0 | 111.1 | G316 F317 | D314-G316 PolarHBondContact O-N 3.07Å; D314-G316 VanDerWaalsContact O-N 3.15Å; D314-G316 PolarHBondContact OD1-N 3.29Å; D314-F317 HydrophobicContact CB-CD2 4.13Å; D314-F317 HydrophobicContact CB-CE2 4.49Å; D314-F317 PolarHBondContact O-N 2.88Å; D314-F317 VanDerWaalsContact O-N 3.1Å |
| 315 | Q | 91.8 | Very high | 93.7 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -59.8 | -20.7 | 177.7 | -171 | 172.5 | -17.8 | 0 | 0 | 113.1 | Q83 Q99 N100 T313 F317 L318 | Q83-Q315 HydrophobicContact CG-CG 4.37Å; Q83-Q315 VanDerWaalsContact CG-NE2 3.32Å; Q99-Q315 WeakPolarHBondContact O-CB 3.37Å; Q99-Q315 PolarHBondContact O-N 3.28Å; N100-Q315 HydrophobicContact CB-CB 4.41Å; N100-Q315 VanDerWaalsContact CB-OE1 3.31Å; T313-Q315 PolarHBondContact O-N 3.45Å; Q315-F317 PolarHBondContact O-N 3.17Å; Q315-L318 HydrophobicContact CG-CB 4.46Å; Q315-L318 HydrophobicContact CG-CD2 4.36Å; Q315-L318 WeakPolarHBondContact O-CB 3.4Å; Q315-L318 PolarHBondContact O-N 3.18Å |
| 316 | G | 91.5 | Very high | 93.8 | Very high | 62 Ų | 62 | 43.6 Ų | 43.6 | 64% | 0.639 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -56.3 | -28.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | D314 | D314-G316 PolarHBondContact O-N 3.07Å; D314-G316 VanDerWaalsContact O-N 3.15Å; D314-G316 PolarHBondContact OD1-N 3.29Å |
| 317 | F | 92 | Very high | 94 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -98.6 | 12.3 | 178.2 | -60.3 | -78.8 | 0 | 0 | 0 | 113.7 | K85 V312 D314 Q315 K319 E320 Y323 F337 | K85-F317 WeakPolarHBondContact CE-O 3.26Å; K85-F317 PolarHBondContact NZ-O 3.48Å; V312-F317 HydrophobicContact CG1-CB 4.05Å; V312-F317 HydrophobicContact CG1-CD2 3.5Å; V312-F317 HydrophobicContact CG1-CE2 4.2Å; V312-F317 HydrophobicContact CG1-CG 3.95Å; D314-F317 HydrophobicContact CB-CD2 4.13Å; D314-F317 HydrophobicContact CB-CE2 4.49Å; D314-F317 PolarHBondContact O-N 2.88Å; D314-F317 VanDerWaalsContact O-N 3.1Å; Q315-F317 PolarHBondContact O-N 3.17Å; F317-K319 VanDerWaalsContact C-N 3.28Å; F317-K319 PolarHBondContact O-N 3.49Å; F317-E320 PolarHBondContact O-N 2.83Å; F317-E320 VanDerWaalsContact O-N 3.13Å; F317-Y323 AromaticContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CE1 4.33Å; F317-Y323 AromaticContact CD1-CG 3.82Å; F317-Y323 HydrophobicContact CD1-CG 3.82Å; F317-Y323 AromaticContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CE1 4.02Å; F317-Y323 HydrophobicContact CE1-CG 4.3Å; F317-F337 HydrophobicContact CE1-CE2 4.19Å; F317-F337 HydrophobicContact CE1-CZ 4.1Å; F317-F337 HydrophobicContact CE2-CE1 4.24Å; F317-F337 AromaticContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CZ-CE1 4.06Å; F317-F337 AromaticContact CZ-CE2 3.86Å; F317-F337 HydrophobicContact CZ-CE2 3.86Å; F317-F337 AromaticContact CZ-CZ 3.45Å; F317-F337 HydrophobicContact CZ-CZ 3.45Å; F317-F337 VanDerWaalsContact CZ-CZ 3.45Å |
| 318 | L | 91.4 | Very high | 94 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -42.6 | -177.9 | 179.6 | 64 | 0 | 0 | 0 | 112.4 | Q83 K85 T98 Q315 E320 | Q83-L318 HydrophobicContact CB-CD1 4.09Å; Q83-L318 HydrophobicContact CB-CD2 3.74Å; Q83-L318 HydrophobicContact CG-CD2 3.94Å; K85-L318 HydrophobicContact CB-CD1 3.84Å; K85-L318 HydrophobicContact CG-CD1 4.45Å; T98-L318 HydrophobicContact CG2-CD1 4.34Å; Q315-L318 HydrophobicContact CG-CB 4.46Å; Q315-L318 HydrophobicContact CG-CD2 4.36Å; Q315-L318 WeakPolarHBondContact O-CB 3.4Å; Q315-L318 PolarHBondContact O-N 3.18Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 2.92Å |
| 319 | K | 90.6 | Very high | 93.6 | Very high | 190 Ų | 190 | 46.5 Ų | 46.5 | 83% | 0.826 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.4 | -177.6 | -64.2 | -175.2 | 179.8 | 179.8 | 0 | 114.4 | F317 P321 | F317-K319 VanDerWaalsContact C-N 3.28Å; F317-K319 PolarHBondContact O-N 3.49Å; K319-P321 VanDerWaalsContact O-CD 3.24Å; K319-P321 WeakPolarHBondContact O-CD 3.24Å |
| 320 | E | 91.3 | Very high | 93.2 | Very high | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | trans | -108.7 | 90.2 | -171.9 | -62.9 | -71.8 | 176.4 | 0 | 0 | 109.4 | K85 F317 L318 N322 Y323 K348 | K85-E320 WeakPolarHBondContact CE-O 3.49Å; K85-E320 PolarHBondContact NZ-O 3.03Å; F317-E320 PolarHBondContact O-N 2.83Å; F317-E320 VanDerWaalsContact O-N 3.13Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 2.92Å; E320-N322 PolarHBondContact O-N 2.84Å; E320-N322 VanDerWaalsContact O-N 3.16Å; E320-Y323 HydrophobicContact CB-CD2 3.58Å; E320-Y323 HydrophobicContact CB-CE2 4.18Å; E320-Y323 HydrophobicContact CB-CG 4.22Å; E320-Y323 HydrophobicContact CG-CD2 4.38Å; E320-Y323 PolarHBondContact O-N 3.46Å; E320-Y323 VanDerWaalsContact O-N 3.15Å; E320-K348 IonicContact OE1-NZ 3.42Å; E320-K348 PolarHBondContact OE1-NZ 3.07Å | ||
| 321 | P | 88.1 | Confident | 92.6 | Very high | 80 Ų | 80 | 47.7 Ų | 47.7 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.8 | -169.6 | 25.9 | -35.6 | 0 | 0 | 0 | 113.5 | K319 Y323 V324 | K319-P321 VanDerWaalsContact O-CD 3.24Å; K319-P321 WeakPolarHBondContact O-CD 3.24Å; P321-Y323 VanDerWaalsContact C-N 3.33Å; P321-V324 WeakPolarHBondContact O-CG2 3.29Å |
| 322 | N | 92.1 | Very high | 91.9 | Very high | 91 Ų | 91 | 53 Ų | 53 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -16.7 | -179.1 | -61.5 | -21.2 | 0 | 0 | 0 | 112.9 | E320 V324 D339 V345 | E320-N322 PolarHBondContact O-N 2.84Å; E320-N322 VanDerWaalsContact O-N 3.16Å; N322-V324 PolarHBondContact O-N 3.15Å; N322-D339 WeakPolarHBondContact O-CA 3.42Å; N322-D339 WeakPolarHBondContact O-CB 3.34Å; N322-V345 HydrophobicContact CB-CG1 4.2Å; N322-V345 HydrophobicContact CB-CG2 3.97Å; N322-V345 WeakPolarHBondContact O-CG2 3.03Å |
| 323 | Y | 93.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | trans | -90.4 | 89.5 | -178.4 | -70.7 | -109.4 | 0 | 0 | 0 | 109.1 | K85 F317 E320 P321 F337 V345 P346 K348 | K85-Y323 PolarHBondContact NZ-O 3.41Å; F317-Y323 AromaticContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CD1 3.66Å; F317-Y323 HydrophobicContact CD1-CE1 4.33Å; F317-Y323 AromaticContact CD1-CG 3.82Å; F317-Y323 HydrophobicContact CD1-CG 3.82Å; F317-Y323 AromaticContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CD1 3.65Å; F317-Y323 HydrophobicContact CE1-CE1 4.02Å; F317-Y323 HydrophobicContact CE1-CG 4.3Å; E320-Y323 HydrophobicContact CB-CD2 3.58Å; E320-Y323 HydrophobicContact CB-CE2 4.18Å; E320-Y323 HydrophobicContact CB-CG 4.22Å; E320-Y323 HydrophobicContact CG-CD2 4.38Å; E320-Y323 PolarHBondContact O-N 3.46Å; E320-Y323 VanDerWaalsContact O-N 3.15Å; P321-Y323 VanDerWaalsContact C-N 3.33Å; Y323-F337 HydrophobicContact CD1-CB 3.53Å; Y323-F337 AromaticContact CD1-CD1 3.94Å; Y323-F337 HydrophobicContact CD1-CD1 3.94Å; Y323-F337 AromaticContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CE2 4.33Å; Y323-F337 AromaticContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CD1-CG 3.42Å; Y323-F337 VanDerWaalsContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CE1-CB 3.81Å; Y323-F337 AromaticContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CE2 4.32Å; Y323-F337 AromaticContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CG-CB 4.44Å; Y323-V345 HydrophobicContact CD2-CG1 4.17Å; Y323-V345 HydrophobicContact CE1-CG1 4.44Å; Y323-V345 HydrophobicContact CE2-CG1 3.65Å; Y323-P346 PolarHBondContact OH-O 2.67Å; Y323-K348 PolarHBondContact OH-N 3.29Å | ||
| 324 | V | 95.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | trans | -112.8 | -43 | -174.4 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | V87 L311 V312 P321 N322 V338 | V87-V324 HydrophobicContact CB-CG1 4.14Å; V87-V324 HydrophobicContact CB-CG2 4.17Å; V87-V324 HydrophobicContact CG1-CG1 4.13Å; V87-V324 HydrophobicContact CG1-CG2 3.91Å; V87-V324 HydrophobicContact CG2-CG1 4.33Å; L311-V324 HydrophobicContact CD1-CG1 4.16Å; V312-V324 PolarHBondContact N-O 2.84Å; P321-V324 WeakPolarHBondContact O-CG2 3.29Å; N322-V324 PolarHBondContact O-N 3.15Å; V324-V338 PolarHBondContact N-O 3.35Å | ||
| 325 | W | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151.8 | -176.6 | -62.6 | 99.6 | 0 | 0 | 0 | 110.9 | W89 L116 L289 T302 Y309 L310 L311 F337 V338 F342 | W89-W325 AromaticContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CE3-CZ2 3.9Å; W89-W325 HydrophobicContact CH2-CH2 4.3Å; W89-W325 AromaticContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CH2-CZ2 3.64Å; W89-W325 HydrophobicContact CZ2-CZ2 4.48Å; W89-W325 AromaticContact CZ3-CE2 3.67Å; W89-W325 HydrophobicContact CZ3-CH2 4.35Å; W89-W325 AromaticContact CZ3-CZ2 3.3Å; W89-W325 HydrophobicContact CZ3-CZ2 3.3Å; W89-W325 AromaticContact CZ3-NE1 3.62Å; L116-W325 HydrophobicContact CD1-CH2 3.93Å; L116-W325 HydrophobicContact CD1-CZ2 4.2Å; L289-W325 HydrophobicContact CD2-CH2 4.18Å; T302-W325 HydrophobicContact CG2-CE3 4.06Å; T302-W325 HydrophobicContact CG2-CH2 3.94Å; T302-W325 HydrophobicContact CG2-CZ2 4.41Å; T302-W325 HydrophobicContact CG2-CZ3 3.74Å; Y309-W325 HydrophobicContact CD1-CB 4.42Å; L310-W325 VanDerWaalsContact C-CE3 3.47Å; L310-W325 CarbonylContact O-C 3.55Å; L310-W325 VanDerWaalsContact O-CA 3.25Å; L310-W325 WeakPolarHBondContact O-CA 3.22Å; L311-W325 HydrophobicContact CB-CE3 4.1Å; L311-W325 HydrophobicContact CB-CH2 4.19Å; L311-W325 HydrophobicContact CB-CZ3 3.73Å; L311-W325 HydrophobicContact CD1-CD2 4.32Å; L311-W325 HydrophobicContact CD1-CE3 4.33Å; L311-W325 HydrophobicContact CD1-CH2 3.95Å; L311-W325 HydrophobicContact CD1-CZ2 3.95Å; L311-W325 HydrophobicContact CD1-CZ3 4.16Å; W325-F337 CarbonylContact O-C 3.59Å; W325-F337 WeakPolarHBondContact O-CA 3.47Å; W325-V338 HydrophobicContact CB-CG2 3.49Å; W325-V338 VanDerWaalsContact CB-CG2 3.49Å; W325-V338 HydrophobicContact CG-CG2 4.45Å; W325-V338 PolarHBondContact N-O 3.42Å; W325-V338 PolarHBondContact O-N 3.38Å; W325-F342 HydrophobicContact CD2-CE1 4.22Å; W325-F342 HydrophobicContact CD2-CZ 4.32Å; W325-F342 HydrophobicContact CG-CE1 4.12Å; W325-F342 HydrophobicContact CG-CZ 4.42Å; W325-F342 AromaticContact NE1-CZ 3.83Å |
| 326 | E | 95.5 | Very high | 90.6 | Very high | 59 Ų | 59 | 59.3 Ų | 59.3 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.4 | 176.6 | -179.7 | -175.2 | 179.6 | 0 | 0 | 109 | Y309 L310 V312 S335 H336 F337 | Y309-E326 CarbonylContact C-O 3.46Å; Y309-E326 VanDerWaalsContact CA-O 3.24Å; Y309-E326 WeakPolarHBondContact CA-O 3.23Å; L310-E326 PolarHBondContact N-O 2.79Å; L310-E326 PolarHBondContact O-N 2.91Å; V312-E326 HydrophobicContact CG2-CB 4.02Å; E326-S335 VanDerWaalsContact CG-CB 3.49Å; E326-S335 WeakPolarHBondContact CG-OG 3.42Å; E326-S335 WeakPolarHBondContact OE1-CB 3.44Å; E326-S335 PolarHBondContact OE1-OG 3.31Å; E326-H336 CarbonylContact C-O 3.53Å; E326-H336 WeakPolarHBondContact CA-O 3.37Å; E326-F337 HydrophobicContact CB-CD1 4.21Å; E326-F337 HydrophobicContact CB-CE1 4.23Å; E326-F337 HydrophobicContact CG-CD1 4.48Å; E326-F337 HydrophobicContact CG-CE1 4.27Å |
| 327 | T | 95.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 140.3 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | Y309 D329 S335 H336 V338 | Y309-T327 HydrophobicContact CD1-CG2 4.09Å; Y309-T327 HydrophobicContact CE1-CG2 3.8Å; T327-D329 PolarHBondContact OG1-OD1 3.37Å; T327-S335 VanDerWaalsContact O-CB 3.25Å; T327-S335 WeakPolarHBondContact O-CB 3.42Å; T327-H336 HydrophobicContact CG2-CB 4.21Å; T327-H336 PolarHBondContact N-O 3.45Å; T327-H336 PolarHBondContact OG1-N 2.94Å; T327-V338 HydrophobicContact CG2-CG1 4.14Å |
| 328 | L | 94.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -116.3 | 82.7 | 170.7 | -174.1 | 68 | 0 | 0 | 0 | 109.7 | L272 L277 L292 R294 I301 L308 L310 | L272-L328 HydrophobicContact CD2-CD1 3.94Å; L277-L328 HydrophobicContact CD1-CD2 4.06Å; L277-L328 HydrophobicContact CD1-CG 3.81Å; L292-L328 HydrophobicContact CD2-CD2 3.8Å; R294-L328 VanDerWaalsContact NH1-CD1 3.3Å; I301-L328 HydrophobicContact CD1-CD2 4.01Å; L308-L328 HydrophobicContact CB-CB 4.05Å; L308-L328 HydrophobicContact CD1-CD2 4.47Å; L308-L328 PolarHBondContact O-N 2.94Å; L310-L328 HydrophobicContact CD1-CB 4.37Å; L310-L328 HydrophobicContact CD1-CD1 4.14Å; L310-L328 HydrophobicContact CD1-CD2 4.37Å; L310-L328 HydrophobicContact CD2-CD2 4.26Å; L310-L328 HydrophobicContact CG-CB 4.21Å; L310-L328 HydrophobicContact CG-CD2 4.42Å | ||
| 329 | D | 89.2 | Confident | 91.1 | Very high | 96 Ų | 96 | 56.2 Ų | 56.2 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | trans | -121.6 | -23.3 | -175.9 | 61.2 | -33.5 | 0 | 0 | 0 | 113.5 | L277 T327 | L277-D329 VanDerWaalsContact CD2-O 3.29Å; L277-D329 WeakPolarHBondContact CD2-O 3.18Å; T327-D329 PolarHBondContact OG1-OD1 3.37Å | ||
| 330 | S | 87.8 | Confident | 91.2 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 22% | 0.217 | 27% | 0.266 | C | S | . | . | trans | -121.8 | 156.8 | 173.4 | -173 | 0 | 0 | 0 | 0 | 112.9 | D332 | S330-D332 PolarHBondContact OG-N 3.13Å; S330-D332 PolarHBondContact OG-OD2 2.95Å | ||
| 331 | I | 85.8 | Confident | 91.3 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.138 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -79.2 | -28.6 | 172.3 | -56.6 | 170 | 0 | 0 | 0 | 110.7 | S270 L272 T273 R274 R294 G333 | S270-I331 WeakPolarHBondContact OG-CG2 3.14Å; L272-I331 HydrophobicContact CB-CG2 4.43Å; L272-I331 HydrophobicContact CD2-CG1 4.45Å; L272-I331 HydrophobicContact CG-CG1 4.28Å; L272-I331 VanDerWaalsContact O-CG2 3.25Å; L272-I331 WeakPolarHBondContact O-CG2 3.23Å; T273-I331 VanDerWaalsContact C-CD1 3.47Å; R274-I331 HydrophobicContact CB-CD1 3.99Å; R274-I331 HydrophobicContact CG-CD1 3.24Å; R274-I331 HydrophobicContact CG-CG1 4.38Å; R294-I331 PolarHBondContact NH2-O 3.38Å; R294-I331 VanDerWaalsContact NH2-O 3.12Å; I331-G333 PolarHBondContact O-N 3.09Å; I331-G333 VanDerWaalsContact O-N 3.17Å |
| 332 | D | 81.9 | Confident | 91.5 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 62% | 0.62 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -74.7 | -6 | -169.7 | -52.2 | -39.9 | 0 | 0 | 0 | 112.8 | S330 N334 | S330-D332 PolarHBondContact OG-N 3.13Å; S330-D332 PolarHBondContact OG-OD2 2.95Å; D332-N334 VanDerWaalsContact C-N 3.34Å |
| 333 | G | 79.9 | Confident | 91.6 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | trans | 84.1 | 5.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I331 S335 | I331-G333 PolarHBondContact O-N 3.09Å; I331-G333 VanDerWaalsContact O-N 3.17Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 3.48Å | ||
| 334 | N | 85.9 | Confident | 91.5 | Very high | 120 Ų | 120 | 52 Ų | 52 | 64% | 0.642 | 28% | 0.279 | S | S | * | . | trans | -72.4 | 90.6 | 169.8 | -69.6 | -16.5 | 0 | 0 | 0 | 109.4 | D332 | D332-N334 VanDerWaalsContact C-N 3.34Š| ||
| 335 | S | 90.8 | Very high | 91.3 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | trans | -114.3 | 166.6 | -179.3 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | E326 T327 G333 | E326-S335 VanDerWaalsContact CG-CB 3.49Å; E326-S335 WeakPolarHBondContact CG-OG 3.42Å; E326-S335 WeakPolarHBondContact OE1-CB 3.44Å; E326-S335 PolarHBondContact OE1-OG 3.31Å; T327-S335 VanDerWaalsContact O-CB 3.25Å; T327-S335 WeakPolarHBondContact O-CB 3.42Å; G333-S335 VanDerWaalsContact C-N 3.34Å; G333-S335 PolarHBondContact O-N 3.48Å | ||
| 336 | H | 93.2 | Very high | 90.5 | Very high | 104 Ų | 104 | 57.6 Ų | 57.6 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | trans | -124.7 | 143 | 174 | -62.2 | -53.7 | 0 | 0 | 0 | 110.3 | E326 T327 L344 | E326-H336 CarbonylContact C-O 3.53Å; E326-H336 WeakPolarHBondContact CA-O 3.37Å; T327-H336 HydrophobicContact CG2-CB 4.21Å; T327-H336 PolarHBondContact N-O 3.45Å; T327-H336 PolarHBondContact OG1-N 2.94Å; H336-L344 HydrophobicContact CB-CD1 3.58Å | ||
| 337 | F | 95 | Very high | 89.5 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 139.7 | 172.9 | -63.9 | -70.2 | 0 | 0 | 0 | 110.9 | V312 F317 Y323 W325 E326 V345 | V312-F337 HydrophobicContact CG2-CD1 3.83Å; V312-F337 HydrophobicContact CG2-CE1 3.86Å; F317-F337 HydrophobicContact CE1-CE2 4.19Å; F317-F337 HydrophobicContact CE1-CZ 4.1Å; F317-F337 HydrophobicContact CE2-CE1 4.24Å; F317-F337 AromaticContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CE2-CZ 3.94Å; F317-F337 HydrophobicContact CZ-CE1 4.06Å; F317-F337 AromaticContact CZ-CE2 3.86Å; F317-F337 HydrophobicContact CZ-CE2 3.86Å; F317-F337 AromaticContact CZ-CZ 3.45Å; F317-F337 HydrophobicContact CZ-CZ 3.45Å; F317-F337 VanDerWaalsContact CZ-CZ 3.45Å; Y323-F337 HydrophobicContact CD1-CB 3.53Å; Y323-F337 AromaticContact CD1-CD1 3.94Å; Y323-F337 HydrophobicContact CD1-CD1 3.94Å; Y323-F337 AromaticContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CD2 3.65Å; Y323-F337 HydrophobicContact CD1-CE2 4.33Å; Y323-F337 AromaticContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CD1-CG 3.42Å; Y323-F337 VanDerWaalsContact CD1-CG 3.42Å; Y323-F337 HydrophobicContact CE1-CB 3.81Å; Y323-F337 AromaticContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CD2 3.57Å; Y323-F337 HydrophobicContact CE1-CE2 4.32Å; Y323-F337 AromaticContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CE1-CG 3.77Å; Y323-F337 HydrophobicContact CG-CB 4.44Å; W325-F337 CarbonylContact O-C 3.59Å; W325-F337 WeakPolarHBondContact O-CA 3.47Å; E326-F337 HydrophobicContact CB-CD1 4.21Å; E326-F337 HydrophobicContact CB-CE1 4.23Å; E326-F337 HydrophobicContact CG-CD1 4.48Å; E326-F337 HydrophobicContact CG-CE1 4.27Å; F337-V345 PolarHBondContact O-N 3.1Å |
| 338 | V | 94.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.8 | 175.4 | -49.7 | 0 | 0 | 0 | 0 | 110.6 | Y309 V324 W325 T327 F342 F343 | Y309-V338 HydrophobicContact CD1-CG2 3.68Å; Y309-V338 HydrophobicContact CE1-CG1 4.16Å; Y309-V338 HydrophobicContact CE1-CG2 3.76Å; V324-V338 PolarHBondContact N-O 3.35Å; W325-V338 HydrophobicContact CB-CG2 3.49Å; W325-V338 VanDerWaalsContact CB-CG2 3.49Å; W325-V338 HydrophobicContact CG-CG2 4.45Å; W325-V338 PolarHBondContact N-O 3.42Å; W325-V338 PolarHBondContact O-N 3.38Å; T327-V338 HydrophobicContact CG2-CG1 4.14Å; V338-F342 HydrophobicContact CG2-CB 4.3Å; V338-F342 HydrophobicContact CG2-CD1 4.23Å; V338-F342 HydrophobicContact CG2-CG 4.48Å; V338-F343 CarbonylContact C-O 3.59Å; V338-F343 WeakPolarHBondContact CA-O 3.33Å; V338-F343 VanDerWaalsContact CB-O 3.31Å; V338-F343 WeakPolarHBondContact CB-O 3.47Å |
| 339 | D | 94.5 | Very high | 86.1 | Confident | 37 Ų | 37 | 70 Ų | 70 | 20% | 0.198 | 39% | 0.391 | C | S | . | . | trans | -78.3 | -179.5 | 179.8 | 71.5 | 11.5 | 0 | 0 | 0 | 113.4 | N322 D341 F342 F343 V345 | N322-D339 WeakPolarHBondContact O-CA 3.42Å; N322-D339 WeakPolarHBondContact O-CB 3.34Å; D339-D341 PolarHBondContact O-N 2.95Å; D339-D341 VanDerWaalsContact O-N 3.15Å; D339-D341 VanDerWaalsContact OD1-C 3.26Å; D339-D341 WeakPolarHBondContact OD1-CA 3.43Å; D339-D341 PolarHBondContact OD1-N 2.92Å; D339-F342 WeakPolarHBondContact O-CA 3.3Å; D339-F342 PolarHBondContact O-N 3.48Å; D339-F342 PolarHBondContact OD1-N 3.15Å; D339-F343 PolarHBondContact N-O 3.45Å; D339-F343 PolarHBondContact OD1-N 3.05Å; D339-V345 HydrophobicContact CB-CG2 4.02Å | ||
| 340 | S | 93.6 | Very high | 84 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 10% | 0.098 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.7 | 174.4 | -73.5 | 0 | 0 | 0 | 0 | 114.6 | K88 F342 | K88-S340 PolarHBondContact N-OG 3.01Å; K88-S340 WeakPolarHBondContact O-CB 3.5Å; K88-S340 PolarHBondContact O-OG 3.15Å; S340-F342 WeakPolarHBondContact O-CD2 3.44Å |
| 341 | D | 92.8 | Very high | 81.8 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 28% | 0.278 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 6.4 | -178.6 | -68.1 | -46 | 0 | 0 | 0 | 111.8 | K88 R304 D339 F343 | K88-D341 IonicContact NZ-OD2 2.71Å; K88-D341 PolarHBondContact NZ-OD2 3.33Å; R304-D341 PolarHBondContact NH2-O 3.26Å; D339-D341 PolarHBondContact O-N 2.95Å; D339-D341 VanDerWaalsContact O-N 3.15Å; D339-D341 VanDerWaalsContact OD1-C 3.26Å; D339-D341 WeakPolarHBondContact OD1-CA 3.43Å; D339-D341 PolarHBondContact OD1-N 2.92Å; D341-F343 HydrophobicContact CB-CD2 3.7Å; D341-F343 HydrophobicContact CB-CE2 3.69Å |
| 342 | F | 92.6 | Very high | 79.5 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 9% | 0.088 | 45% | 0.454 | C | S | . | . | trans | 66.9 | 31 | 177 | -59 | -112.7 | 0 | 0 | 0 | 113.7 | W89 T302 R304 Y309 W325 V338 D339 S340 | W89-F342 HydrophobicContact CH2-CE2 4.29Å; W89-F342 HydrophobicContact CH2-CZ 4.04Å; W89-F342 AromaticContact CZ3-CE2 3.7Å; W89-F342 HydrophobicContact CZ3-CE2 3.7Å; W89-F342 AromaticContact CZ3-CZ 3.73Å; W89-F342 HydrophobicContact CZ3-CZ 3.73Å; T302-F342 HydrophobicContact CG2-CE1 3.79Å; T302-F342 HydrophobicContact CG2-CZ 3.83Å; R304-F342 HydrophobicContact CB-CD1 4.11Å; R304-F342 HydrophobicContact CB-CE1 4.05Å; R304-F342 HydrophobicContact CB-CZ 4.41Å; R304-F342 VanDerWaalsContact CD-CG 3.43Å; R304-F342 VanDerWaalsContact CZ-CD2 3.47Å; Y309-F342 AromaticContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CD1 3.78Å; Y309-F342 HydrophobicContact CD1-CE1 4.25Å; Y309-F342 AromaticContact CD2-CD1 3.56Å; Y309-F342 HydrophobicContact CD2-CD1 3.56Å; Y309-F342 AromaticContact CD2-CE1 3.57Å; Y309-F342 HydrophobicContact CD2-CE1 3.57Å; Y309-F342 AromaticContact CE1-CD1 3.87Å; Y309-F342 HydrophobicContact CE1-CD1 3.87Å; Y309-F342 AromaticContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CD1 3.67Å; Y309-F342 HydrophobicContact CE2-CE1 4.1Å; Y309-F342 AromaticContact CG-CD1 3.62Å; Y309-F342 HydrophobicContact CG-CD1 3.62Å; Y309-F342 AromaticContact CG-CE1 3.65Å; Y309-F342 HydrophobicContact CG-CE1 3.65Å; Y309-F342 AromaticContact CZ-CD1 3.81Å; W325-F342 HydrophobicContact CD2-CE1 4.22Å; W325-F342 HydrophobicContact CD2-CZ 4.32Å; W325-F342 HydrophobicContact CG-CE1 4.12Å; W325-F342 HydrophobicContact CG-CZ 4.42Å; W325-F342 AromaticContact NE1-CZ 3.83Å; V338-F342 HydrophobicContact CG2-CB 4.3Å; V338-F342 HydrophobicContact CG2-CD1 4.23Å; V338-F342 HydrophobicContact CG2-CG 4.48Å; D339-F342 WeakPolarHBondContact O-CA 3.3Å; D339-F342 PolarHBondContact O-N 3.48Å; D339-F342 PolarHBondContact OD1-N 3.15Å; S340-F342 WeakPolarHBondContact O-CD2 3.44Å | ||
| 343 | F | 93.4 | Very high | 77.5 | Confident | 140 Ų | 140 | 80.7 Ų | 80.7 | 61% | 0.614 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 142 | 168.9 | -61.9 | -70.3 | 0 | 0 | 0 | 111.1 | V338 D339 D341 V345 | V338-F343 CarbonylContact C-O 3.59Å; V338-F343 WeakPolarHBondContact CA-O 3.33Å; V338-F343 VanDerWaalsContact CB-O 3.31Å; V338-F343 WeakPolarHBondContact CB-O 3.47Å; D339-F343 PolarHBondContact N-O 3.45Å; D339-F343 PolarHBondContact OD1-N 3.05Å; D341-F343 HydrophobicContact CB-CD2 3.7Å; D341-F343 HydrophobicContact CB-CE2 3.69Å; F343-V345 PolarHBondContact O-N 3.43Å |
| 344 | L | 92.5 | Very high | 75.5 | Confident | 117 Ų | 117 | 86.6 Ų | 86.6 | 61% | 0.613 | 47% | 0.474 | S | S | * | . | B | Isolated β-bridge | trans | -59.6 | 126.3 | -179.9 | -163.6 | 89.5 | 0 | 0 | 0 | 110.9 | H336 | H336-L344 HydrophobicContact CB-CD1 3.58Å |
| 345 | V | 90.2 | Very high | 73.4 | Confident | 18 Ų | 18 | 86.9 Ų | 86.9 | 11% | 0.109 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 126.3 | 173.2 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | N322 Y323 F337 D339 F343 A347 | N322-V345 HydrophobicContact CB-CG1 4.2Å; N322-V345 HydrophobicContact CB-CG2 3.97Å; N322-V345 WeakPolarHBondContact O-CG2 3.03Å; Y323-V345 HydrophobicContact CD2-CG1 4.17Å; Y323-V345 HydrophobicContact CE1-CG1 4.44Å; Y323-V345 HydrophobicContact CE2-CG1 3.65Å; F337-V345 PolarHBondContact O-N 3.1Å; D339-V345 HydrophobicContact CB-CG2 4.02Å; F343-V345 PolarHBondContact O-N 3.43Å; V345-A347 PolarHBondContact O-N 3.23Å |
| 346 | P | 81.5 | Confident | 71.1 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 66% | 0.662 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 135.4 | 176.4 | 23.1 | -30.4 | 0 | 0 | 0 | 109.9 | Y323 K348 | Y323-P346 PolarHBondContact OH-O 2.67Å; P346-K348 PolarHBondContact O-N 3.38Å |
| 347 | A | 73.4 | Confident | 68.8 | Low | 84 Ų | 84 | 91.1 Ų | 91.1 | 69% | 0.694 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 136.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.3 | V345 T349 | V345-A347 PolarHBondContact O-N 3.23Å; A347-T349 PolarHBondContact O-N 3.21Å |
| 348 | K | 66.9 | Low | 66.5 | Low | 151 Ų | 151 | 91.9 Ų | 91.9 | 66% | 0.657 | 51% | 0.51 | S | S | * | . | trans | -55.2 | 102 | 177 | -165.9 | 168.7 | -173.4 | 163.3 | 0 | 108.2 | E320 Y323 P346 E350 | E320-K348 IonicContact OE1-NZ 3.42Å; E320-K348 PolarHBondContact OE1-NZ 3.07Å; Y323-K348 PolarHBondContact OH-N 3.29Å; P346-K348 PolarHBondContact O-N 3.38Å; K348-E350 PolarHBondContact O-N 3.44Å | ||
| 349 | T | 51.3 | Low | 64.7 | Low | 111 Ų | 111 | 97.1 Ų | 97.1 | 68% | 0.681 | 54% | 0.544 | S | S | * | . | trans | -63.5 | 136.8 | 163.3 | -46 | 0 | 0 | 0 | 0 | 104.6 | A347 S351 | A347-T349 PolarHBondContact O-N 3.21Å; T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 PolarHBondContact O-OG 2.92Å | ||
| 350 | E | 46.4 | Very low | 63 | Low | 196 Ų | 196 | 102.4 Ų | 102.4 | 92% | 0.916 | 57% | 0.568 | S | S | * | * | trans | -65.1 | 64.2 | 170.9 | -64.5 | -180 | 170.6 | 0 | 0 | 109.6 | K348 S352 | K348-E350 PolarHBondContact O-N 3.44Å; E350-S352 PolarHBondContact O-N 2.82Å | ||
| 351 | S | 42.1 | Very low | 61.6 | Low | 92 Ų | 92 | 107 Ų | 107 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | trans | -91.4 | 102 | 174.8 | 45.4 | 0 | 0 | 0 | 0 | 107.1 | T349 | T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 PolarHBondContact O-OG 2.92Å | ||
| 352 | S | 36.2 | Very low | 60.5 | Low | 89 Ų | 89 | 108 Ų | 108 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | trans | 65 | 82.8 | 170.7 | 73.6 | 0 | 0 | 0 | 0 | 115.8 | E350 Q354 | E350-S352 PolarHBondContact O-N 2.82Å; S352-Q354 PolarHBondContact O-N 2.79Å | ||
| 353 | V | 41.4 | Very low | 59.4 | Low | 116 Ų | 116 | 113.5 Ų | 113.5 | 70% | 0.703 | 62% | 0.624 | S | S | * | * | -54.9 | 88.3 | 127.2 | 179.6 | 0 | 0 | 0 | 0 | 106.1 | N355 | V353-N355 HydrophobicContact CG1-CB 3.54Å; V353-N355 WeakPolarHBondContact CG1-ND2 3.47Å; V353-N355 PolarHBondContact O-N 3.03Å | |||
| 354 | Q | 37.7 | Very low | 58.5 | Low | 166 Ų | 166 | 113.1 Ų | 113.1 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | trans | -69.6 | 62.4 | 152.4 | -68.4 | -173.4 | -22.9 | 0 | 0 | 106.6 | S352 E356 | S352-Q354 PolarHBondContact O-N 2.79Å; Q354-E356 VanDerWaalsContact C-N 3.33Å; Q354-E356 PolarHBondContact O-N 3.34Å | ||
| 355 | N | 41.9 | Very low | 57.7 | Low | 126 Ų | 126 | 113.5 Ų | 113.5 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | trans | -70.9 | 109.6 | 149.3 | -83.9 | -11.5 | 0 | 0 | 0 | 103.1 | V353 A357 | V353-N355 HydrophobicContact CG1-CB 3.54Å; V353-N355 WeakPolarHBondContact CG1-ND2 3.47Å; V353-N355 PolarHBondContact O-N 3.03Å; N355-A357 PolarHBondContact O-N 2.84Å | ||
| 356 | E | 41.1 | Very low | 57.1 | Low | 190 Ų | 190 | 117.1 Ų | 117.1 | 89% | 0.888 | 64% | 0.642 | S | S | * | * | trans | -61.4 | 65.8 | 154.9 | -60.8 | -146.7 | 158.3 | 0 | 0 | 108.9 | Q354 | Q354-E356 VanDerWaalsContact C-N 3.33Å; Q354-E356 PolarHBondContact O-N 3.34Å | ||
| 357 | A | 45.5 | Very low | 57.1 | Low | 37 Ų | 37 | 118.3 Ų | 118.3 | 31% | 0.306 | 64% | 0.639 | S | S | . | * | trans | -94.3 | 110.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | N355 Q361 | N355-A357 PolarHBondContact O-N 2.84Å; A357-Q361 VanDerWaalsContact CA-OE1 3.31Å; A357-Q361 HydrophobicContact CB-CB 4.13Å | ||
| 358 | S | 46.5 | Very low | 57.4 | Low | 67 Ų | 67 | 119.4 Ų | 119.4 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | trans | -45.8 | 145.6 | 175 | -48 | 0 | 0 | 0 | 0 | 109.3 | Q360 Q361 | S358-Q360 CarbonylContact O-C 3.58Å; S358-Q360 PolarHBondContact O-N 3.27Å; S358-Q361 PolarHBondContact O-N 2.71Å | ||
| 359 | P | 56.7 | Low | 58.1 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 75% | 0.747 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -48.1 | -29.4 | -179.3 | -27.8 | 32.1 | 0 | 0 | 0 | 113.8 | M363 | P359-M363 WeakPolarHBondContact O-CB 3.34Å; P359-M363 PolarHBondContact O-N 2.91Å; P359-M363 VanDerWaalsContact O-N 3.1Å |
| 360 | Q | 60 | Low | 59.5 | Low | 147 Ų | 147 | 118.1 Ų | 118.1 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.6 | -32.2 | 174.7 | -71 | 179.1 | -33.6 | 0 | 0 | 115.1 | S358 K364 | S358-Q360 CarbonylContact O-C 3.58Å; S358-Q360 PolarHBondContact O-N 3.27Å; Q360-K364 WeakPolarHBondContact O-CB 3.4Å; Q360-K364 VanDerWaalsContact O-CG 3.26Å; Q360-K364 WeakPolarHBondContact O-CG 3.37Å; Q360-K364 PolarHBondContact O-N 3.15Å |
| 361 | Q | 63.2 | Low | 61.3 | Low | 110 Ų | 110 | 114.2 Ų | 114.2 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.4 | -41.6 | 177.1 | -79 | 177.6 | -27.6 | 0 | 0 | 111.2 | A357 S358 M363 K364 Q365 | A357-Q361 VanDerWaalsContact CA-OE1 3.31Å; A357-Q361 HydrophobicContact CB-CB 4.13Å; S358-Q361 PolarHBondContact O-N 2.71Å; Q361-M363 VanDerWaalsContact C-N 3.3Å; Q361-M363 PolarHBondContact O-N 3.41Å; Q361-K364 PolarHBondContact O-N 3.09Å; Q361-Q365 WeakPolarHBondContact O-CB 3.45Å; Q361-Q365 PolarHBondContact O-N 3.47Å |
| 362 | T | 69.9 | Low | 63.1 | Low | 75 Ų | 75 | 114.8 Ų | 114.8 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.1 | -41.6 | 173.9 | -32.1 | 0 | 0 | 0 | 0 | 110.7 | Q365 V366 | T362-Q365 PolarHBondContact O-N 3.06Å; T362-V366 WeakPolarHBondContact O-CG2 3.3Å; T362-V366 PolarHBondContact O-N 3.35Å |
| 363 | M | 69.5 | Low | 65.1 | Low | 135 Ų | 135 | 112.7 Ų | 112.7 | 67% | 0.665 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -41.5 | 177.5 | -145.6 | 171.1 | -162.8 | 0 | 0 | 112.3 | P359 Q361 Q365 V366 E367 | P359-M363 WeakPolarHBondContact O-CB 3.34Å; P359-M363 PolarHBondContact O-N 2.91Å; P359-M363 VanDerWaalsContact O-N 3.1Å; Q361-M363 VanDerWaalsContact C-N 3.3Å; Q361-M363 PolarHBondContact O-N 3.41Å; M363-Q365 VanDerWaalsContact C-N 3.33Å; M363-Q365 PolarHBondContact O-N 2.83Å; M363-V366 PolarHBondContact O-N 2.92Å; M363-E367 PolarHBondContact O-N 3.47Å |
| 364 | K | 75.5 | Confident | 67 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.8 | -36.8 | 173.7 | -78 | 175.9 | 180 | -176 | 0 | 112.9 | Q360 Q361 E367 N368 | Q360-K364 WeakPolarHBondContact O-CB 3.4Å; Q360-K364 VanDerWaalsContact O-CG 3.26Å; Q360-K364 WeakPolarHBondContact O-CG 3.37Å; Q360-K364 PolarHBondContact O-N 3.15Å; Q361-K364 PolarHBondContact O-N 3.09Å; K364-E367 PolarHBondContact O-N 2.88Å; K364-N368 WeakPolarHBondContact O-CB 3.27Å; K364-N368 PolarHBondContact O-N 2.56Å |
| 365 | Q | 74.1 | Confident | 68.8 | Low | 125 Ų | 125 | 105.3 Ų | 105.3 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.6 | -43.1 | 177.9 | -169.4 | 168.9 | -12.8 | 0 | 0 | 110.9 | Q361 T362 M363 E367 N368 D369 | Q361-Q365 WeakPolarHBondContact O-CB 3.45Å; Q361-Q365 PolarHBondContact O-N 3.47Å; T362-Q365 PolarHBondContact O-N 3.06Å; M363-Q365 VanDerWaalsContact C-N 3.33Å; M363-Q365 PolarHBondContact O-N 2.83Å; Q365-E367 PolarHBondContact O-N 3.24Å; Q365-N368 PolarHBondContact O-N 3.3Å; Q365-D369 PolarHBondContact O-N 3.16Å |
| 366 | V | 79.5 | Confident | 70.1 | Confident | 94 Ų | 94 | 105 Ų | 105 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.1 | -40.6 | 173.7 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | T362 M363 D369 F370 | T362-V366 WeakPolarHBondContact O-CG2 3.3Å; T362-V366 PolarHBondContact O-N 3.35Å; M363-V366 PolarHBondContact O-N 2.92Å; V366-D369 PolarHBondContact O-N 3.09Å; V366-F370 VanDerWaalsContact O-CB 3.31Å; V366-F370 WeakPolarHBondContact O-CB 3.49Å; V366-F370 PolarHBondContact O-N 2.71Å |
| 367 | E | 80.5 | Confident | 71.2 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 174 | -82.5 | 177.7 | 165.4 | 0 | 0 | 112.3 | M363 K364 Q365 L371 | M363-E367 PolarHBondContact O-N 3.47Å; K364-E367 PolarHBondContact O-N 2.88Å; Q365-E367 PolarHBondContact O-N 3.24Å; E367-L371 VanDerWaalsContact O-CB 3.31Å; E367-L371 WeakPolarHBondContact O-CB 3.35Å; E367-L371 PolarHBondContact O-N 3.36Å |
| 368 | N | 79.4 | Confident | 71.9 | Confident | 108 Ų | 108 | 110 Ų | 110 | 58% | 0.578 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.3 | -43.7 | 176 | -80.7 | -17.6 | 0 | 0 | 0 | 112 | K364 Q365 L371 L372 | K364-N368 WeakPolarHBondContact O-CB 3.27Å; K364-N368 PolarHBondContact O-N 2.56Å; Q365-N368 PolarHBondContact O-N 3.3Å; N368-L371 PolarHBondContact O-N 2.98Å; N368-L372 WeakPolarHBondContact O-CB 3.42Å; N368-L372 PolarHBondContact O-N 2.82Å |
| 369 | D | 81.2 | Confident | 72.1 | Confident | 97 Ų | 97 | 111.1 Ų | 111.1 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.6 | -39.4 | 178.5 | -70.7 | -9.1 | 0 | 0 | 0 | 111.1 | Q365 V366 L372 A373 | Q365-D369 PolarHBondContact O-N 3.16Å; V366-D369 PolarHBondContact O-N 3.09Å; D369-L372 PolarHBondContact O-N 3.14Å; D369-A373 WeakPolarHBondContact O-CB 3.21Å; D369-A373 PolarHBondContact O-N 3.21Å |
| 370 | F | 82.2 | Confident | 71.8 | Confident | 138 Ų | 138 | 107.9 Ų | 107.9 | 61% | 0.605 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.6 | -40.4 | 174.1 | -175.4 | -106.7 | 0 | 0 | 0 | 112 | V366 L372 A373 L374 | V366-F370 VanDerWaalsContact O-CB 3.31Å; V366-F370 WeakPolarHBondContact O-CB 3.49Å; V366-F370 PolarHBondContact O-N 2.71Å; F370-L372 VanDerWaalsContact C-N 3.34Å; F370-A373 PolarHBondContact O-N 3.02Å; F370-L374 HydrophobicContact CD1-CD1 3.88Å; F370-L374 HydrophobicContact CD1-CG 4.43Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.92Å; F370-L374 HydrophobicContact CZ-CD2 4.3Å; F370-L374 HydrophobicContact CZ-CG 4.19Å; F370-L374 WeakPolarHBondContact O-CG 3.28Å; F370-L374 PolarHBondContact O-N 3.35Å |
| 371 | L | 82.4 | Confident | 71.1 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 60% | 0.597 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.9 | -38.3 | 176.2 | -168.9 | 68.4 | 0 | 0 | 0 | 111.7 | E367 N368 L374 S375 | E367-L371 VanDerWaalsContact O-CB 3.31Å; E367-L371 WeakPolarHBondContact O-CB 3.35Å; E367-L371 PolarHBondContact O-N 3.36Å; N368-L371 PolarHBondContact O-N 2.98Å; L371-L374 PolarHBondContact O-N 3.45Å; L371-S375 PolarHBondContact O-N 3.28Å |
| 372 | L | 80.7 | Confident | 70.1 | Confident | 104 Ų | 104 | 106.2 Ų | 106.2 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.9 | -45 | 174.2 | -170.5 | 70 | 0 | 0 | 0 | 111.1 | N368 D369 F370 L374 S375 L376 | N368-L372 WeakPolarHBondContact O-CB 3.42Å; N368-L372 PolarHBondContact O-N 2.82Å; D369-L372 PolarHBondContact O-N 3.14Å; F370-L372 VanDerWaalsContact C-N 3.34Å; L372-L374 PolarHBondContact O-N 3.19Å; L372-S375 PolarHBondContact O-N 2.84Å; L372-S375 PolarHBondContact O-OG 2.88Å; L372-L376 PolarHBondContact O-N 3.44Å; L372-L376 VanDerWaalsContact O-N 3.1Å |
| 373 | A | 79.2 | Confident | 69 | Low | 45 Ų | 45 | 108.7 Ų | 108.7 | 37% | 0.372 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.1 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D369 F370 S375 L376 E377 | D369-A373 WeakPolarHBondContact O-CB 3.21Å; D369-A373 PolarHBondContact O-N 3.21Å; F370-A373 PolarHBondContact O-N 3.02Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.15Å; A373-L376 PolarHBondContact O-N 2.97Å; A373-E377 PolarHBondContact O-N 3.24Å |
| 374 | L | 79.4 | Confident | 68.3 | Low | 70 Ų | 70 | 108 Ų | 108 | 37% | 0.366 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.5 | -38.8 | 175.5 | -72.2 | 177.1 | 0 | 0 | 0 | 112.6 | F370 L371 L372 L376 E377 E378 | F370-L374 HydrophobicContact CD1-CD1 3.88Å; F370-L374 HydrophobicContact CD1-CG 4.43Å; F370-L374 HydrophobicContact CE1-CD1 3.43Å; F370-L374 VanDerWaalsContact CE1-CD1 3.43Å; F370-L374 HydrophobicContact CE1-CG 4.1Å; F370-L374 HydrophobicContact CZ-CD1 3.92Å; F370-L374 HydrophobicContact CZ-CD2 4.3Å; F370-L374 HydrophobicContact CZ-CG 4.19Å; F370-L374 WeakPolarHBondContact O-CG 3.28Å; F370-L374 PolarHBondContact O-N 3.35Å; L371-L374 PolarHBondContact O-N 3.45Å; L372-L374 PolarHBondContact O-N 3.19Å; L374-L376 VanDerWaalsContact C-N 3.27Å; L374-L376 PolarHBondContact O-N 2.87Å; L374-E377 PolarHBondContact O-N 2.95Å; L374-E378 PolarHBondContact O-N 3.23Å |
| 375 | S | 76.3 | Confident | 67.3 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 40% | 0.399 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.3 | -30.2 | 177.4 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | L371 L372 A373 S379 | L371-S375 PolarHBondContact O-N 3.28Å; L372-S375 PolarHBondContact O-N 2.84Å; L372-S375 PolarHBondContact O-OG 2.88Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.15Å; S375-S379 PolarHBondContact O-OG 3.41Å |
| 376 | L | 69.8 | Low | 66.9 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.2 | -34.7 | 173.8 | -72.1 | 165.9 | 0 | 0 | 0 | 111.6 | L372 A373 L374 S379 | L372-L376 PolarHBondContact O-N 3.44Å; L372-L376 VanDerWaalsContact O-N 3.1Å; A373-L376 PolarHBondContact O-N 2.97Å; L374-L376 VanDerWaalsContact C-N 3.27Å; L374-L376 PolarHBondContact O-N 2.87Å; L376-S379 WeakPolarHBondContact O-CB 3.22Å; L376-S379 PolarHBondContact O-N 3.38Å |
| 377 | E | 64 | Low | 66.2 | Low | 154 Ų | 154 | 105.2 Ų | 105.2 | 72% | 0.72 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76 | -32.1 | 178 | -72.1 | -175.7 | 172.8 | 0 | 0 | 113.7 | A373 L374 S379 | A373-E377 PolarHBondContact O-N 3.24Å; L374-E377 PolarHBondContact O-N 2.95Å; E377-S379 PolarHBondContact O-N 3.41Å |
| 378 | E | 60.3 | Low | 65.8 | Low | 179 Ų | 179 | 104.5 Ų | 104.5 | 84% | 0.836 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -69.7 | -14.4 | 172.3 | -80.8 | -172.1 | 157.4 | 0 | 0 | 112.9 | L374 G380 | L374-E378 PolarHBondContact O-N 3.23Å; E378-G380 PolarHBondContact O-N 3.13Å |
| 379 | S | 50.7 | Low | 65.7 | Low | 91 Ų | 91 | 105.6 Ų | 105.6 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -80.4 | 66.9 | 169.6 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | S375 L376 E377 | S375-S379 PolarHBondContact O-OG 3.41Å; L376-S379 WeakPolarHBondContact O-CB 3.22Å; L376-S379 PolarHBondContact O-N 3.38Å; E377-S379 PolarHBondContact O-N 3.41Å |
| 380 | G | 50.2 | Low | 65.6 | Low | 46 Ų | 46 | 107.1 Ų | 107.1 | 47% | 0.474 | 60% | 0.603 | S | S | . | * | trans | -56.5 | 156.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E378 A382 | E378-G380 PolarHBondContact O-N 3.13Å; G380-A382 PolarHBondContact O-N 3.08Å | ||
| 381 | P | 45.2 | Very low | 65.5 | Low | 135 Ų | 135 | 105.4 Ų | 105.4 | 88% | 0.877 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -72.9 | 87.8 | -169.9 | 31.6 | -34.3 | 0 | 0 | 0 | 110 | ||
| 382 | A | 41.5 | Very low | 65.5 | Low | 87 Ų | 87 | 102.6 Ų | 102.6 | 72% | 0.719 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -148.2 | 102.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | G380 | G380-A382 PolarHBondContact O-N 3.08Š|
| 383 | N | 47 | Very low | 65.5 | Low | 128 Ų | 128 | 100.2 Ų | 100.2 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | trans | 72.2 | 68.9 | -179.7 | -77.8 | -9.5 | 0 | 0 | 0 | 117 | Q385 T386 | N383-Q385 PolarHBondContact O-N 2.89Å; N383-Q385 VanDerWaalsContact O-N 3.08Å; N383-T386 PolarHBondContact O-N 3.25Å; N383-T386 PolarHBondContact O-OG1 3.28Å | ||
| 384 | D | 55 | Low | 65.8 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -51.5 | -27.7 | 171.7 | -73.2 | -17.9 | 0 | 0 | 0 | 114.4 | T386 D388 | D384-T386 PolarHBondContact O-N 2.89Å; D384-D388 WeakPolarHBondContact O-CB 3.45Å; D384-D388 PolarHBondContact O-N 2.64Å |
| 385 | Q | 54.9 | Low | 66.1 | Low | 158 Ų | 158 | 106.7 Ų | 106.7 | 74% | 0.738 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.5 | -26.2 | -177.8 | -67.1 | -173.9 | -10 | 0 | 0 | 113.8 | N383 Q389 | N383-Q385 PolarHBondContact O-N 2.89Å; N383-Q385 VanDerWaalsContact O-N 3.08Å; Q385-Q389 WeakPolarHBondContact O-CB 3.48Å; Q385-Q389 WeakPolarHBondContact O-CG 3.32Å; Q385-Q389 PolarHBondContact O-N 3.2Å |
| 386 | T | 65.6 | Low | 66.6 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 47% | 0.472 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -90 | -31.2 | -178.6 | 37.7 | 0 | 0 | 0 | 0 | 113.1 | N383 D384 L390 | N383-T386 PolarHBondContact O-N 3.25Å; N383-T386 PolarHBondContact O-OG1 3.28Å; D384-T386 PolarHBondContact O-N 2.89Å; T386-L390 WeakPolarHBondContact O-CB 3.28Å; T386-L390 PolarHBondContact O-N 2.97Å; T386-L390 VanDerWaalsContact O-N 3.11Å |
| 387 | A | 65.5 | Low | 67.4 | Low | 59 Ų | 59 | 108.8 Ų | 108.8 | 49% | 0.488 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.1 | -45.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q389 L390 L391 | A387-Q389 VanDerWaalsContact C-N 3.33Å; A387-Q389 PolarHBondContact O-N 3.11Å; A387-L390 PolarHBondContact O-N 3.03Å; A387-L391 PolarHBondContact O-N 3.37Å |
| 388 | D | 71.3 | Confident | 68.3 | Low | 110 Ų | 110 | 107.3 Ų | 107.3 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.4 | -40 | 175.2 | -81 | -6.6 | 0 | 0 | 0 | 111.9 | D384 L391 A392 | D384-D388 WeakPolarHBondContact O-CB 3.45Å; D384-D388 PolarHBondContact O-N 2.64Å; D388-L391 PolarHBondContact O-N 3.03Å; D388-A392 WeakPolarHBondContact O-CB 3.29Å; D388-A392 PolarHBondContact O-N 3.37Å |
| 389 | Q | 77.5 | Confident | 69.3 | Low | 132 Ų | 132 | 105.7 Ų | 105.7 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.8 | -38.9 | 175.8 | -79.3 | 175 | 15.2 | 0 | 0 | 112.6 | Q385 A387 A393 | Q385-Q389 WeakPolarHBondContact O-CB 3.48Å; Q385-Q389 WeakPolarHBondContact O-CG 3.32Å; Q385-Q389 PolarHBondContact O-N 3.2Å; A387-Q389 VanDerWaalsContact C-N 3.33Å; A387-Q389 PolarHBondContact O-N 3.11Å; Q389-A393 VanDerWaalsContact O-CB 3.29Å; Q389-A393 WeakPolarHBondContact O-CB 3.28Å; Q389-A393 PolarHBondContact O-N 2.95Å |
| 390 | L | 78.9 | Confident | 71 | Confident | 129 Ų | 129 | 107 Ų | 107 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.8 | -39.9 | 176.1 | -87.2 | 167.3 | 0 | 0 | 0 | 111.9 | T386 A387 A393 K394 | T386-L390 WeakPolarHBondContact O-CB 3.28Å; T386-L390 PolarHBondContact O-N 2.97Å; T386-L390 VanDerWaalsContact O-N 3.11Å; A387-L390 PolarHBondContact O-N 3.03Å; L390-A393 PolarHBondContact O-N 3.32Å; L390-K394 WeakPolarHBondContact O-CB 2.74Å; L390-K394 PolarHBondContact O-N 2.94Å |
| 391 | L | 80.4 | Confident | 72.6 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.9 | -44.8 | 175.8 | -175.5 | 62.1 | 0 | 0 | 0 | 111.2 | A387 D388 A393 K394 L395 | A387-L391 PolarHBondContact O-N 3.37Å; D388-L391 PolarHBondContact O-N 3.03Å; L391-A393 VanDerWaalsContact C-N 3.35Å; L391-A393 PolarHBondContact O-N 2.95Å; L391-K394 PolarHBondContact O-N 3.47Å; L391-L395 HydrophobicContact CG-CD1 4.39Å; L391-L395 PolarHBondContact O-N 3.38Å |
| 392 | A | 81.6 | Confident | 74.4 | Confident | 55 Ų | 55 | 108.8 Ų | 108.8 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D388 K394 L395 Q396 | D388-A392 WeakPolarHBondContact O-CB 3.29Å; D388-A392 PolarHBondContact O-N 3.37Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.3Å; A392-L395 PolarHBondContact O-N 2.96Å; A392-Q396 WeakPolarHBondContact O-CB 3.41Å; A392-Q396 PolarHBondContact O-N 2.98Å |
| 393 | A | 82.2 | Confident | 76.4 | Confident | 55 Ų | 55 | 107.5 Ų | 107.5 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q389 L390 L391 Q396 E397 | Q389-A393 VanDerWaalsContact O-CB 3.29Å; Q389-A393 WeakPolarHBondContact O-CB 3.28Å; Q389-A393 PolarHBondContact O-N 2.95Å; L390-A393 PolarHBondContact O-N 3.32Å; L391-A393 VanDerWaalsContact C-N 3.35Å; L391-A393 PolarHBondContact O-N 2.95Å; A393-Q396 PolarHBondContact O-N 2.89Å; A393-E397 PolarHBondContact O-N 2.99Å |
| 394 | K | 85.6 | Confident | 78.1 | Confident | 147 Ų | 147 | 104.3 Ų | 104.3 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.6 | -43.5 | 178.8 | -166.7 | 177.9 | -178.8 | -177.3 | 0 | 112.3 | L390 L391 A392 Q396 E397 E398 | L390-K394 WeakPolarHBondContact O-CB 2.74Å; L390-K394 PolarHBondContact O-N 2.94Å; L391-K394 PolarHBondContact O-N 3.47Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.3Å; K394-Q396 VanDerWaalsContact C-N 3.33Å; K394-E397 PolarHBondContact O-N 2.8Å; K394-E398 PolarHBondContact O-N 2.9Å; K394-E398 VanDerWaalsContact O-N 3.08Å |
| 395 | L | 83.9 | Confident | 79.3 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -41.8 | 174.9 | -75.6 | 169.9 | 0 | 0 | 0 | 111.5 | L391 A392 E397 E398 E399 | L391-L395 HydrophobicContact CG-CD1 4.39Å; L391-L395 PolarHBondContact O-N 3.38Å; A392-L395 PolarHBondContact O-N 2.96Å; L395-E397 VanDerWaalsContact C-N 3.33Å; L395-E397 PolarHBondContact O-N 3.37Å; L395-E398 PolarHBondContact O-N 2.77Å; L395-E399 PolarHBondContact O-N 3.12Å |
| 396 | Q | 87.7 | Confident | 80.4 | Confident | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 177 | -171.6 | 168.5 | 4.7 | 0 | 0 | 112.4 | A392 A393 K394 Q400 | A392-Q396 WeakPolarHBondContact O-CB 3.41Å; A392-Q396 PolarHBondContact O-N 2.98Å; A393-Q396 PolarHBondContact O-N 2.89Å; K394-Q396 VanDerWaalsContact C-N 3.33Å; Q396-Q400 WeakPolarHBondContact O-CB 3.49Å; Q396-Q400 VanDerWaalsContact O-CG 3.27Å; Q396-Q400 WeakPolarHBondContact O-CG 3.29Å; Q396-Q400 PolarHBondContact O-N 3.15Å |
| 397 | E | 85.8 | Confident | 81 | Confident | 101 Ų | 101 | 96.2 Ų | 96.2 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 174.7 | -165.9 | -169.7 | 160.7 | 0 | 0 | 112 | A393 K394 L395 Q400 R401 | A393-E397 PolarHBondContact O-N 2.99Å; K394-E397 PolarHBondContact O-N 2.8Å; L395-E397 VanDerWaalsContact C-N 3.33Å; L395-E397 PolarHBondContact O-N 3.37Å; E397-Q400 PolarHBondContact O-N 2.88Å; E397-R401 WeakPolarHBondContact O-CB 3.17Å; E397-R401 PolarHBondContact O-N 3.47Å; E397-R401 IonicContact OE1-CZ 2.76Å; E397-R401 IonicContact OE1-NH2 3.83Å; E397-R401 PolarHBondContact OE1-NH2 3.35Å |
| 398 | E | 84.4 | Confident | 81.5 | Confident | 124 Ų | 124 | 96.3 Ų | 96.3 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 178.8 | -167.8 | 166.8 | -165.8 | 0 | 0 | 111.9 | K394 L395 R401 A402 | K394-E398 PolarHBondContact O-N 2.9Å; K394-E398 VanDerWaalsContact O-N 3.08Å; L395-E398 PolarHBondContact O-N 2.77Å; E398-R401 PolarHBondContact O-N 3.29Å; E398-A402 PolarHBondContact O-N 3.46Å |
| 399 | E | 81.7 | Confident | 81.6 | Confident | 145 Ų | 145 | 94 Ų | 94 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 175.5 | -162.7 | 176.7 | -161.9 | 0 | 0 | 111.8 | L395 R401 A402 A403 | L395-E399 PolarHBondContact O-N 3.12Å; E399-R401 VanDerWaalsContact C-N 3.31Å; E399-R401 PolarHBondContact O-N 3.38Å; E399-A402 PolarHBondContact O-N 3.49Å; E399-A403 WeakPolarHBondContact O-CB 3.17Å; E399-A403 PolarHBondContact O-N 2.72Å |
| 400 | Q | 85 | Confident | 81.2 | Confident | 118 Ų | 118 | 91 Ų | 91 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 172.7 | -75.4 | 175.6 | 18.5 | 0 | 0 | 112.1 | Q396 E397 A403 A404 | Q396-Q400 WeakPolarHBondContact O-CB 3.49Å; Q396-Q400 VanDerWaalsContact O-CG 3.27Å; Q396-Q400 WeakPolarHBondContact O-CG 3.29Å; Q396-Q400 PolarHBondContact O-N 3.15Å; E397-Q400 PolarHBondContact O-N 2.88Å; Q400-A403 PolarHBondContact O-N 3.5Å; Q400-A404 WeakPolarHBondContact O-CB 3.4Å; Q400-A404 PolarHBondContact O-N 3.25Å |
| 401 | R | 85.2 | Confident | 80.7 | Confident | 156 Ų | 156 | 88.9 Ų | 88.9 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.7 | -40.2 | 178 | -163.1 | -179.4 | -70.5 | 151.6 | -2.2 | 111.4 | E397 E398 E399 A404 A405 | E397-R401 WeakPolarHBondContact O-CB 3.17Å; E397-R401 PolarHBondContact O-N 3.47Å; E397-R401 IonicContact OE1-CZ 2.76Å; E397-R401 IonicContact OE1-NH2 3.83Å; E397-R401 PolarHBondContact OE1-NH2 3.35Å; E398-R401 PolarHBondContact O-N 3.29Å; E399-R401 VanDerWaalsContact C-N 3.31Å; E399-R401 PolarHBondContact O-N 3.38Å; R401-A404 PolarHBondContact O-N 2.64Å; R401-A405 WeakPolarHBondContact O-CB 3.35Å; R401-A405 PolarHBondContact O-N 3.08Å |
| 402 | A | 82.4 | Confident | 79.8 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E398 E399 A404 A405 A406 | E398-A402 PolarHBondContact O-N 3.46Å; E399-A402 PolarHBondContact O-N 3.49Å; A402-A404 PolarHBondContact O-N 3.29Å; A402-A405 PolarHBondContact O-N 2.91Å; A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3Å |
| 403 | A | 83.1 | Confident | 78.2 | Confident | 61 Ų | 61 | 90 Ų | 90 | 50% | 0.504 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E399 Q400 A406 A407 | E399-A403 WeakPolarHBondContact O-CB 3.17Å; E399-A403 PolarHBondContact O-N 2.72Å; Q400-A403 PolarHBondContact O-N 3.5Å; A403-A406 PolarHBondContact O-N 3.41Å; A403-A407 WeakPolarHBondContact O-CB 3.25Å; A403-A407 PolarHBondContact O-N 3.32Å |
| 404 | A | 82.7 | Confident | 76.8 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q400 R401 A402 A407 A408 | Q400-A404 WeakPolarHBondContact O-CB 3.4Å; Q400-A404 PolarHBondContact O-N 3.25Å; R401-A404 PolarHBondContact O-N 2.64Å; A402-A404 PolarHBondContact O-N 3.29Å; A404-A407 PolarHBondContact O-N 2.91Å; A404-A408 WeakPolarHBondContact O-CB 3.47Å; A404-A408 PolarHBondContact O-N 2.83Å |
| 405 | A | 80.8 | Confident | 74.8 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R401 A402 A408 A409 | R401-A405 WeakPolarHBondContact O-CB 3.35Å; R401-A405 PolarHBondContact O-N 3.08Å; A402-A405 PolarHBondContact O-N 2.91Å; A405-A408 PolarHBondContact O-N 3.06Å; A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.49Å |
| 406 | A | 77.1 | Confident | 72.8 | Confident | 62 Ų | 62 | 95.4 Ų | 95.4 | 51% | 0.512 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.9 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A402 A403 A409 A410 | A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3Å; A403-A406 PolarHBondContact O-N 3.41Å; A406-A409 PolarHBondContact O-N 2.93Å; A406-A410 WeakPolarHBondContact O-CB 3.46Å; A406-A410 PolarHBondContact O-N 3.11Å |
| 407 | A | 78.6 | Confident | 70.5 | Confident | 60 Ų | 60 | 100.3 Ų | 100.3 | 50% | 0.496 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A403 A404 A410 A411 | A403-A407 WeakPolarHBondContact O-CB 3.25Å; A403-A407 PolarHBondContact O-N 3.32Å; A404-A407 PolarHBondContact O-N 2.91Å; A407-A410 PolarHBondContact O-N 3.49Å; A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 3.18Å |
| 408 | A | 76.6 | Confident | 68.2 | Low | 60 Ų | 60 | 107 Ų | 107 | 50% | 0.496 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.3 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A404 A405 A411 A412 | A404-A408 WeakPolarHBondContact O-CB 3.47Å; A404-A408 PolarHBondContact O-N 2.83Å; A405-A408 PolarHBondContact O-N 3.06Å; A408-A411 PolarHBondContact O-N 2.96Å; A408-A412 VanDerWaalsContact O-CB 3.29Å; A408-A412 WeakPolarHBondContact O-CB 3.13Å; A408-A412 PolarHBondContact O-N 3.46Å |
| 409 | A | 72.9 | Confident | 66 | Low | 61 Ų | 61 | 109.2 Ų | 109.2 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.6 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A405 A406 A412 T413 | A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.49Å; A406-A409 PolarHBondContact O-N 2.93Å; A409-A412 PolarHBondContact O-N 3.47Å; A409-T413 PolarHBondContact O-OG1 2.81Å |
| 410 | A | 69.5 | Low | 63.9 | Low | 70 Ų | 70 | 113.1 Ų | 113.1 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.5 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A406 A407 T413 | A406-A410 WeakPolarHBondContact O-CB 3.46Å; A406-A410 PolarHBondContact O-N 3.11Å; A407-A410 PolarHBondContact O-N 3.49Å; A410-T413 PolarHBondContact O-N 3.03Å |
| 411 | A | 68.7 | Low | 61.7 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.1 | -26.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A407 A408 T413 | A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 3.18Å; A408-A411 PolarHBondContact O-N 2.96Å; A411-T413 PolarHBondContact O-N 3.46Å |
| 412 | A | 59.8 | Low | 59.7 | Low | 80 Ų | 80 | 113 Ų | 113 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -4.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A408 A409 P414 | A408-A412 VanDerWaalsContact O-CB 3.29Å; A408-A412 WeakPolarHBondContact O-CB 3.13Å; A408-A412 PolarHBondContact O-N 3.46Å; A409-A412 PolarHBondContact O-N 3.47Å; A412-P414 WeakPolarHBondContact O-CD 3.32Å |
| 413 | T | 48.2 | Very low | 57.7 | Low | 100 Ų | 100 | 115.3 Ų | 115.3 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -79.1 | 111.4 | 172.4 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | A409 A410 A411 | A409-T413 PolarHBondContact O-OG1 2.81Å; A410-T413 PolarHBondContact O-N 3.03Å; A411-T413 PolarHBondContact O-N 3.46Å |
| 414 | P | 52.3 | Low | 55.6 | Low | 100 Ų | 100 | 123.5 Ų | 123.5 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -65.9 | 144.9 | -179.3 | 11.5 | -4 | 0 | 0 | 0 | 109.4 | A412 Q416 | A412-P414 WeakPolarHBondContact O-CD 3.32Å; P414-Q416 PolarHBondContact O-N 2.95Å | ||
| 415 | P | 44.1 | Very low | 53.7 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -62.1 | 111.7 | 174.3 | 26.8 | -31.2 | 0 | 0 | 0 | 107.2 | R417 | P415-R417 VanDerWaalsContact C-N 3.35Å; P415-R417 PolarHBondContact O-N 3.26Å | ||
| 416 | Q | 43.1 | Very low | 51.5 | Low | 192 Ų | 192 | 131.7 Ų | 131.7 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | trans | -56.7 | 108.8 | 165.4 | -88.7 | -173.1 | -12.8 | 0 | 0 | 106.7 | P414 R418 | P414-Q416 PolarHBondContact O-N 2.95Å; Q416-R418 PolarHBondContact O-N 3.45Å | ||
| 417 | R | 39.2 | Very low | 49.7 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -48.2 | 107.1 | 177.4 | -164 | 179.7 | -161.9 | -172.1 | 4.1 | 107.3 | P415 E419 | P415-R417 VanDerWaalsContact C-N 3.35Å; P415-R417 PolarHBondContact O-N 3.26Å; R417-E419 VanDerWaalsContact C-N 3.26Å; R417-E419 PolarHBondContact O-N 2.98Å | ||
| 418 | R | 36.7 | Very low | 47.9 | Very low | 241 Ų | 241 | 139.4 Ų | 139.4 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -52.6 | 96.6 | 161.9 | -101 | 177.8 | 163.3 | 169.2 | -4.9 | 106.9 | Q416 R420 | Q416-R418 PolarHBondContact O-N 3.45Å; R418-R420 PolarHBondContact O-N 3.47Å; R418-R420 VanDerWaalsContact O-N 3.13Å | ||
| 419 | E | 39.2 | Very low | 45.8 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -64.5 | 112.3 | 167.9 | -68.5 | -164.9 | 155.7 | 0 | 0 | 106.8 | R417 | R417-E419 VanDerWaalsContact C-N 3.26Å; R417-E419 PolarHBondContact O-N 2.98Å | ||
| 420 | R | 37.5 | Very low | 44.2 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 136.3 | 171.4 | -71.8 | 177.4 | 172.3 | -173.7 | -3.4 | 107.9 | R418 V422 | R418-R420 PolarHBondContact O-N 3.47Å; R418-R420 VanDerWaalsContact O-N 3.13Å; R420-V422 PolarHBondContact O-N 3.18Å |
| 421 | P | 37.8 | Very low | 42.5 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 116.5 | 170.5 | 26.9 | -30 | 0 | 0 | 0 | 107.7 | S423 | P421-S423 PolarHBondContact O-N 3.04Š|
| 422 | V | 43.5 | Very low | 41.2 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.9 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | R420 R424 | R420-V422 PolarHBondContact O-N 3.18Å; V422-R424 PolarHBondContact O-N 2.86Å |
| 423 | S | 39.7 | Very low | 40 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 125.2 | 178.3 | 0.1 | 0 | 0 | 0 | 0 | 111.5 | P421 | P421-S423 PolarHBondContact O-N 3.04Š|
| 424 | R | 40 | Very low | 39.7 | Very low | 233 Ų | 233 | 154.7 Ų | 154.7 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 127.7 | 169 | -171.5 | 179.6 | -170.3 | 178.8 | 2.6 | 110.9 | V422 | V422-R424 PolarHBondContact O-N 2.86Š|
| 425 | P | 41.4 | Very low | 39 | Very low | 102 Ų | 102 | 155.7 Ų | 155.7 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 122.9 | 168.6 | 30.6 | -26.5 | 0 | 0 | 0 | 109.6 | F427 | P425-F427 PolarHBondContact O-N 2.98Š|
| 426 | E | 35.3 | Very low | 38.8 | Very low | 194 Ų | 194 | 160 Ų | 160 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 118.3 | 165.6 | -70.7 | 178.1 | 146.4 | 0 | 0 | 109.5 | A428 | E426-A428 PolarHBondContact O-N 3.47Š|
| 427 | F | 40.2 | Very low | 38.7 | Very low | 197 Ų | 197 | 158 Ų | 158 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -89.2 | 100.8 | 164.3 | -98.2 | -86.8 | 0 | 0 | 0 | 108.8 | P425 | P425-F427 PolarHBondContact O-N 2.98Š| ||
| 428 | A | 39.8 | Very low | 39 | Very low | 86 Ų | 86 | 152 Ų | 152 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 129.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E426 | E426-A428 PolarHBondContact O-N 3.47Š| ||
| 429 | T | 32 | Very low | 39.3 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -62.7 | 122.4 | 166.5 | 37.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 430 | T | 40.3 | Very low | 39.6 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -156 | 111.3 | 152.7 | 8.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 431 | S | 34.7 | Very low | 40.4 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | 27.4 | 120.2 | 140.1 | 59.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 432 | H | 39.9 | Very low | 40.5 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 89% | 0.889 | 78% | 0.784 | S | S | * | * | -164.2 | 130.2 | 116.9 | -109.9 | -72.7 | 0 | 0 | 0 | 112 | |||||
| 433 | A | 35.2 | Very low | 41.1 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | trans | -71.2 | 147.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 434 | T | 41 | Very low | 41.1 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -165.5 | 98 | 138.8 | 13.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 435 | N | 38.4 | Very low | 41.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 65% | 0.652 | 81% | 0.813 | S | S | * | * | trans | -0.7 | 131.6 | 142.5 | -158.1 | 9.3 | 0 | 0 | 0 | 118.4 | ||||
| 436 | Y | 39.7 | Very low | 41.2 | Very low | 217 Ų | 217 | 147.3 Ų | 147.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | -165.5 | 98.8 | 127 | -106.5 | -76.4 | 0 | 0 | 0 | 110.9 | |||||
| 437 | Q | 42.1 | Very low | 41.5 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | 18.4 | 138.1 | 125.2 | -96.9 | 178.6 | 8.3 | 0 | 0 | 117.6 | |||||
| 438 | S | 44.2 | Very low | 41.6 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | cis | -170.2 | 165 | 24.8 | -38.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 439 | K | 43.3 | Very low | 41.7 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 74% | 0.739 | 82% | 0.82 | S | S | * | * | 178.2 | 138.2 | 54.5 | -122.6 | 179.3 | -172.6 | -172.4 | 0 | 108.2 | |||||
| 440 | E | 46.5 | Very low | 42.4 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | 50 | 135.2 | 134.4 | -66.1 | 174.8 | 143.3 | 0 | 0 | 119.8 | ||||
| 441 | K | 53.1 | Low | 42.6 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | cis | -168.3 | 150.3 | 48.7 | -141.7 | 169.3 | -169 | -178.3 | 0 | 112.4 | ||||
| 442 | V | 40.1 | Very low | 43.3 | Very low | 145 Ų | 145 | 151.3 Ų | 151.3 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | trans | -80.9 | 149.3 | -176.9 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 443 | G | 55.7 | Low | 43.6 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 100% | 1.495 | 83% | 0.831 | S | S | * | * | trans | -169.2 | 0 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 443 of 443 residues in 465.4 ms
(Link to these results)