| 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 | 34.3 | Very low | 40 | Very low | 248 Ų | 248 | 148.2 Ų | 148.2 | 100% | 1.222 | 85% | 0.853 | S | S | * | * | 0 | 120.4 | 0 | -81.7 | 157.7 | 140.2 | 0 | 0 | 109 | |||||
| 2 | R | 46.1 | Very low | 39.3 | Very low | 231 Ų | 231 | 156.4 Ų | 156.4 | 87% | 0.872 | 86% | 0.86 | S | S | * | * | trans | -68.3 | 160.8 | 155.6 | -94.9 | -172.4 | 179.7 | -145.4 | 1.9 | 108.8 | ||||
| 3 | P | 54.6 | Low | 39.2 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 78% | 0.779 | 86% | 0.855 | S | S | * | * | -141.3 | 153.2 | 73.1 | 20.5 | 4.9 | 0 | 0 | 0 | 113.5 | |||||
| 4 | A | 44.3 | Very low | 39.9 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 67% | 0.669 | 84% | 0.843 | S | S | * | * | 80.4 | 121.6 | 56.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 5 | R | 40.2 | Very low | 39.5 | Very low | 236 Ų | 236 | 156.6 Ų | 156.6 | 89% | 0.891 | 85% | 0.85 | S | S | * | * | trans | 165 | 155.6 | 151.4 | -99.3 | 178.3 | 173.3 | 167.3 | -0.1 | 109.3 | ||||
| 6 | D | 40 | Very low | 39.5 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 82% | 0.824 | 85% | 0.845 | S | S | * | * | cis | -167.5 | 151.7 | -47.1 | -109.9 | -39.3 | 0 | 0 | 0 | 104.9 | ||||
| 7 | N | 42.2 | Very low | 40 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 86% | 0.861 | 84% | 0.843 | S | S | * | * | trans | -86.9 | 144.7 | 179.7 | -157.1 | 3.3 | 0 | 0 | 0 | 109.7 | ||||
| 8 | A | 35.5 | Very low | 39.7 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 84% | 0.839 | S | S | * | * | trans | -151.7 | 135.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 9 | S | 38.4 | Very low | 39.6 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | trans | -95.7 | 162.6 | -173.9 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 10 | G | 31.6 | Very low | 39.4 | Very low | 68 Ų | 68 | 150.6 Ų | 150.6 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | trans | 160.7 | 99.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 11 | A | 33 | Very low | 39.3 | Very low | 97 Ų | 97 | 147 Ų | 147 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | 93.3 | 122.3 | 72.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 12 | R | 31.9 | Very low | 39.5 | Very low | 247 Ų | 247 | 146.8 Ų | 146.8 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | 78.3 | 116.9 | 147.1 | -80.6 | 179.6 | 162.8 | -134.7 | -1.9 | 122.1 | ||||
| 13 | S | 36.8 | Very low | 38.9 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -41 | 174.5 | 142.2 | -115.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 14 | P | 50.2 | Low | 38.3 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | cis | -143.4 | -179.8 | 21.8 | 37.4 | -15.7 | 0 | 0 | 0 | 115.4 | ||||
| 15 | R | 32.8 | Very low | 38 | Very low | 251 Ų | 251 | 146.2 Ų | 146.2 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -173 | 119 | 140.1 | -102.8 | 167.1 | -158.7 | -160.5 | 5.8 | 112 | ||||
| 16 | V | 40.8 | Very low | 38 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -82.4 | 156.8 | 161.4 | -145.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 17 | P | 46.9 | Very low | 37.8 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | -141.4 | 139.1 | 89 | 23.5 | -1.3 | 0 | 0 | 0 | 112.5 | |||||
| 18 | A | 34.3 | Very low | 37.7 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | 87.3 | 120.7 | 76.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 19 | D | 37.5 | Very low | 38.5 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -77 | 144 | -178.6 | -165.3 | -6.7 | 0 | 0 | 0 | 111.4 | ||||
| 20 | L | 36.1 | Very low | 38.2 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -161 | 93.5 | 151.7 | -156 | 69 | 0 | 0 | 0 | 112.8 | ||||
| 21 | A | 37.4 | Very low | 39.2 | Very low | 75 Ų | 75 | 146.4 Ų | 146.4 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | trans | 20.7 | 129 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 22 | R | 38.1 | Very low | 40.3 | Very low | 244 Ų | 244 | 146.9 Ų | 146.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | -164.4 | 114.1 | 124.7 | -117.1 | 176.8 | 169.3 | 179.6 | -3.2 | 113.3 | |||||
| 23 | S | 35.1 | Very low | 40.4 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -81.6 | 139.5 | 163.4 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 24 | I | 41.7 | Very low | 40.4 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -151.9 | 97.9 | 150.4 | -56.9 | -175 | 0 | 0 | 0 | 105.2 | ||||
| 25 | L | 37.6 | Very low | 39.8 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | 70.1 | 133.4 | 71.2 | -102.5 | 171.4 | 0 | 0 | 0 | 117 | |||||
| 26 | I | 39.2 | Very low | 40.1 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | 101.2 | 124.4 | 161.7 | -57.7 | 158 | 0 | 0 | 0 | 114.1 | ||||
| 27 | S | 35.6 | Very low | 39.9 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | cis | -163.7 | 143.7 | 11.5 | -132.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 28 | L | 41.3 | Very low | 39.7 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -173.5 | 136.3 | 135.4 | -95.8 | 161.9 | 0 | 0 | 0 | 109 | ||||
| 29 | P | 51.6 | Low | 40.1 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -96.4 | 156.6 | -165.3 | 36.4 | -33.6 | 0 | 0 | 0 | 116.7 | ||||
| 30 | F | 31.8 | Very low | 40.7 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -48.8 | -175 | 173.1 | -89 | -116.1 | 0 | 0 | 0 | 117.4 | ||||
| 31 | P | 52.5 | Low | 40.6 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | cis | -135.3 | -172.4 | -20.8 | 18.8 | 7.4 | 0 | 0 | 0 | 115.9 | ||||
| 32 | P | 57.3 | Low | 40.3 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -105.7 | -177 | -177.2 | 41.3 | -31.4 | 0 | 0 | 0 | 116.2 | ||||
| 33 | D | 33.3 | Very low | 40.3 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | 114.5 | 121.8 | 158.1 | -71.8 | -25.3 | 0 | 0 | 0 | 119 | ||||
| 34 | S | 37 | Very low | 40.8 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -153.3 | 116.4 | 137 | -84.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 35 | L | 37 | Very low | 40.5 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -65.2 | 154.3 | 174.5 | -64.8 | 154.8 | 0 | 0 | 0 | 112.4 | ||||
| 36 | A | 39.2 | Very low | 40.3 | Very low | 102 Ų | 102 | 136 Ų | 136 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | -171.4 | 108.5 | 125.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 37 | H | 37.9 | Very low | 40.1 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -61.3 | 143.3 | 164 | -105.8 | -87.5 | 0 | 0 | 0 | 112.4 | ||||
| 38 | R | 41.4 | Very low | 40.3 | Very low | 228 Ų | 228 | 137.5 Ų | 137.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -95.4 | 137.4 | 161.6 | -172.3 | -175.2 | -179.7 | -167.2 | 1.3 | 109.1 | ||||
| 39 | P | 42.9 | Very low | 39.9 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | -149.6 | -158.1 | 123.2 | 41.7 | -21.6 | 0 | 0 | 0 | 112.6 | |||||
| 40 | P | 51.4 | Low | 39.3 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | -128.5 | 171 | -100.5 | 37.7 | -17 | 0 | 0 | 0 | 117.5 | |||||
| 41 | S | 32.6 | Very low | 39.3 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 46.1 | 122.4 | 148.8 | -159.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 42 | S | 32.7 | Very low | 38.4 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | 165.1 | 139 | 113.9 | 48.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 43 | A | 37.1 | Very low | 37.6 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 44.4 | 149.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 44 | P | 45.3 | Very low | 37.6 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | -144.9 | 163.8 | 92.9 | 36.7 | -19.4 | 0 | 0 | 0 | 116.8 | |||||
| 45 | T | 36.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -88.1 | 136.1 | -179.6 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 46 | E | 32.9 | Very low | 38.4 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 33.8 | 128.6 | 138.6 | -139.7 | -179.2 | 153.7 | 0 | 0 | 122.3 | ||||
| 47 | S | 34.7 | Very low | 38.5 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | -165.1 | 146.2 | 125.9 | 55 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 48 | Q | 39.1 | Very low | 39 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -86.2 | 156.4 | -173 | -57 | -163.1 | -3.6 | 0 | 0 | 113.7 | ||||
| 49 | G | 33.8 | Very low | 38.9 | Very low | 74 Ų | 74 | 121.5 Ų | 121.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -164.1 | 112.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 50 | L | 39.4 | Very low | 38.8 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -58.5 | 150.1 | 175.2 | -70.5 | 94.1 | 0 | 0 | 0 | 112.7 | ||||
| 51 | F | 31.5 | Very low | 38.5 | Very low | 197 Ų | 197 | 121 Ų | 121 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | -171.4 | 118 | 129.6 | -109.9 | -82.7 | 0 | 0 | 0 | 112.3 | |||||
| 52 | T | 34.2 | Very low | 38.9 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 61.6 | 123 | 136.9 | -63.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 53 | V | 39.4 | Very low | 39.8 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -36.9 | 135.7 | 154.6 | 148.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 54 | A | 34.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -160.4 | 121.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 55 | A | 40.2 | Very low | 39.9 | Very low | 89 Ų | 89 | 120.6 Ų | 120.6 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 164.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 56 | P | 49.2 | Very low | 40.3 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -145.4 | 136.1 | 95.6 | 34.9 | -18 | 0 | 0 | 0 | 115.5 | |||||
| 57 | A | 42.8 | Very low | 40.7 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | 52.4 | 152.3 | 130.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 58 | P | 48.6 | Very low | 41.1 | Very low | 136 Ų | 136 | 119 Ų | 119 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -111.4 | 156.2 | -141.5 | 39.4 | -29 | 0 | 0 | 0 | 114.7 | ||||
| 59 | G | 39.3 | Very low | 41.3 | Very low | 79 Ų | 79 | 118.9 Ų | 118.9 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -168.2 | 107.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 60 | A | 40.9 | Very low | 41.6 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -62.9 | -178.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 61 | P | 44.6 | Very low | 41.7 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -128.2 | 165.9 | -12.7 | 25.5 | -3.1 | 0 | 0 | 0 | 115.2 | ||||
| 62 | S | 40 | Very low | 42.5 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 147.5 | 171.4 | 49.1 | 0 | 0 | 0 | 0 | 117.3 | ||
| 63 | P | 52.6 | Low | 43 | Very low | 116 Ų | 116 | 117.9 Ų | 117.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 136.1 | 156.4 | 32.1 | -30.5 | 0 | 0 | 0 | 110.3 | A65 | P63-A65 PolarHBondContact O-N 2.91Š|
| 64 | P | 46.2 | Very low | 43.5 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 130.9 | 173.8 | 27.6 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 65 | A | 38.3 | Very low | 43.9 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58 | 144.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P63 L67 | P63-A65 PolarHBondContact O-N 2.91Å; A65-L67 PolarHBondContact O-N 3.17Å |
| 66 | T | 44.9 | Very low | 44 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -45.9 | 123.1 | 156.7 | -39.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 67 | L | 40.3 | Very low | 43.9 | Very low | 141 Ų | 141 | 126 Ų | 126 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -124.6 | 103.1 | 161.8 | -153.8 | 142.4 | 0 | 0 | 0 | 108.6 | A65 H69 | A65-L67 PolarHBondContact O-N 3.17Å; L67-H69 WeakPolarHBondContact CD2-CD2 3.44Å | ||
| 68 | A | 42.5 | Very low | 44 | Very low | 85 Ų | 85 | 127 Ų | 127 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -62.5 | 127.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 69 | H | 44.2 | Very low | 43.8 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -129.3 | 123.8 | 155.9 | -109.2 | -64.7 | 0 | 0 | 0 | 110 | L67 | L67-H69 WeakPolarHBondContact CD2-CD2 3.44Š| ||
| 70 | L | 39.3 | Very low | 44.2 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -59 | 149.1 | 173.3 | -70.3 | 115.2 | 0 | 0 | 0 | 112.2 | ||||
| 71 | L | 43.3 | Very low | 44.4 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -30.1 | 158.4 | 165.3 | -105.6 | 80.6 | 0 | 0 | 0 | 116.4 | ||||
| 72 | P | 48 | Very low | 44.2 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -147.1 | 148.9 | 56.6 | 32.3 | -9.4 | 0 | 0 | 0 | 118.3 | |||||
| 73 | A | 44.7 | Very low | 44 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -64.8 | 143.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 74 | P | 50.1 | Low | 43.6 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | -153.3 | 171.4 | 102.5 | 35.2 | -15.3 | 0 | 0 | 0 | 116 | |||||
| 75 | A | 42 | Very low | 43.1 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 80.5 | 76.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 76 | M | 42.1 | Very low | 42.9 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -123.9 | 10.9 | 156.1 | -56.7 | -62.4 | -70.7 | 0 | 0 | 113.3 | ||||
| 77 | Y | 46.3 | Very low | 43.2 | Very low | 222 Ų | 222 | 144.4 Ų | 144.4 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -115.1 | 83.8 | 173.2 | -90.6 | -88.4 | 0 | 0 | 0 | 109.6 | ||||
| 78 | S | 45.6 | Very low | 43 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -163 | 61.1 | 165.4 | -158.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 79 | L | 44.1 | Very low | 42.5 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -159.4 | 42.3 | 161.6 | -146.5 | 78.2 | 0 | 0 | 0 | 113.6 | ||
| 80 | L | 48.5 | Very low | 42.1 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -132.7 | 19.9 | 172.5 | -55.5 | 170.2 | 0 | 0 | 0 | 112.8 | ||
| 81 | E | 44.2 | Very low | 42.1 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -126.2 | 66.3 | 175.3 | -75.9 | -172.8 | 145.5 | 0 | 0 | 110.7 | ||||
| 82 | T | 41.8 | Very low | 41.5 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -147.2 | 143.8 | 152.7 | 35.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 83 | E | 35 | Very low | 40.9 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 91.8 | 65 | 177.8 | -47.7 | -47.7 | 114.9 | 0 | 0 | 117.1 | ||||
| 84 | L | 44.2 | Very low | 40.3 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -126.8 | 77.4 | 147.9 | -143 | 160.2 | 0 | 0 | 0 | 109.4 | ||||
| 85 | K | 36.3 | Very low | 39.5 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 73% | 0.726 | 82% | 0.822 | S | S | * | * | trans | -159.8 | 104.4 | 160.7 | -150.9 | 64.5 | 83.2 | -172.6 | 0 | 115.7 | ||||
| 86 | N | 34.6 | Very low | 38.9 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | trans | 87.7 | 163.3 | 141.3 | -65.6 | 1.9 | 0 | 0 | 0 | 120.1 | ||||
| 87 | P | 50.1 | Low | 38.6 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | -135.6 | 168.2 | -79.2 | 35.9 | -14.6 | 0 | 0 | 0 | 114.9 | |||||
| 88 | V | 36.7 | Very low | 37.8 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | 47.2 | 123.7 | 152.5 | 115.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 89 | G | 31.3 | Very low | 37 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | -168.6 | 126.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 90 | T | 35.9 | Very low | 37.3 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -66.8 | 161.7 | -169.6 | 45.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 91 | P | 40.4 | Very low | 36.4 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -86.3 | 130.7 | 179.1 | 33.8 | -30.6 | 0 | 0 | 0 | 112.5 | ||||
| 92 | T | 30.1 | Very low | 35.9 | Very low | 135 Ų | 135 | 124 Ų | 124 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | trans | -108.9 | 129.2 | 169.3 | -70.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 93 | Q | 35.7 | Very low | 36.1 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -66.5 | 141.7 | 174.2 | -67.1 | 174.3 | 70 | 0 | 0 | 111.2 | ||||
| 94 | A | 32 | Very low | 35.8 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -127.8 | 131.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 95 | A | 32.1 | Very low | 35.1 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -75.5 | 158.5 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 96 | G | 30 | Very low | 34.8 | Very low | 75 Ų | 75 | 113.7 Ų | 113.7 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -79.2 | 160.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 97 | T | 35.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 110.2 Ų | 110.2 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -137 | 142.4 | 165.7 | 48.9 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 98 | G | 30.3 | Very low | 33.8 | Very low | 75 Ų | 75 | 114.4 Ų | 114.4 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | cis | -165.9 | 164.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 99 | G | 29.2 | Very low | 33.5 | Very low | 78 Ų | 78 | 112.4 Ų | 112.4 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -67.7 | -164.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 100 | P | 50.5 | Low | 33.6 | Very low | 135 Ų | 135 | 114.1 Ų | 114.1 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | cis | -137.8 | 170.1 | 37.9 | 34.4 | -12.9 | 0 | 0 | 0 | 117.6 | ||||
| 101 | A | 29.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 112.2 Ų | 112.2 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -66.2 | 164.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 102 | A | 33.1 | Very low | 33.3 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | cis | -170.5 | -157.8 | 38.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 103 | P | 46.4 | Very low | 33.3 | Very low | 129 Ų | 129 | 110.9 Ų | 110.9 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | -125.4 | 171.9 | -52.7 | 28.9 | -10 | 0 | 0 | 0 | 113.1 | |||||
| 104 | G | 27.5 | Very low | 33.1 | Very low | 84 Ų | 84 | 106.9 Ų | 106.9 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 121.4 | 137.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 105 | G | 29.3 | Very low | 32.9 | Very low | 79 Ų | 79 | 105.8 Ų | 105.8 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | 128 | 83.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 106 | A | 30.5 | Very low | 32.9 | Very low | 111 Ų | 111 | 105.1 Ų | 105.1 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | 4 | 147.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 107 | G | 30 | Very low | 33.1 | Very low | 66 Ų | 66 | 106.4 Ų | 106.4 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | 130.1 | 94.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 108 | K | 33.7 | Very low | 33 | Very low | 200 Ų | 200 | 107.1 Ų | 107.1 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | 81.2 | 102.1 | 98.5 | -78.7 | -179.5 | 179.3 | 179.7 | 0 | 116 | |||||
| 109 | S | 31 | Very low | 33.2 | Very low | 111 Ų | 111 | 107.9 Ų | 107.9 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | 41.1 | 122.8 | 123.8 | 55.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 110 | S | 33.8 | Very low | 33.2 | Very low | 113 Ų | 113 | 108.2 Ų | 108.2 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | 170.7 | 106.3 | 127.8 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 111 | A | 33.2 | Very low | 32.2 | Very low | 92 Ų | 92 | 105.6 Ų | 105.6 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | 63.3 | 106.4 | 85.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 112 | N | 35.4 | Very low | 32.4 | Very low | 162 Ų | 162 | 104.9 Ų | 104.9 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | 109.8 | 140.6 | 119.8 | -143.6 | 7.9 | 0 | 0 | 0 | 121.2 | |||||
| 113 | A | 31.3 | Very low | 32.4 | Very low | 76 Ų | 76 | 106.9 Ų | 106.9 | 63% | 0.628 | 83% | 0.831 | S | S | * | * | trans | 70.7 | 107 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 114 | A | 30.6 | Very low | 32.1 | Very low | 110 Ų | 110 | 106.8 Ų | 106.8 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | 77.5 | 121.2 | 73.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 115 | G | 28.8 | Very low | 32.4 | Very low | 81 Ų | 81 | 106.8 Ų | 106.8 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | 164.7 | 93.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 116 | G | 31.1 | Very low | 32.6 | Very low | 89 Ų | 89 | 106.7 Ų | 106.7 | 92% | 0.918 | 83% | 0.833 | S | S | * | * | trans | -65.4 | 147.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 117 | A | 33.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 107.4 Ų | 107.4 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -123.4 | 116 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 118 | N | 34.1 | Very low | 33.7 | Very low | 166 Ų | 166 | 110.2 Ų | 110.2 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | trans | -63.2 | 140.8 | 176.5 | -170.3 | 4.9 | 0 | 0 | 0 | 110.9 | ||||
| 119 | A | 34.2 | Very low | 33.8 | Very low | 91 Ų | 91 | 104.6 Ų | 104.6 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | trans | -85.5 | 151.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 120 | G | 29.4 | Very low | 34.2 | Very low | 85 Ų | 85 | 103.6 Ų | 103.6 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | 124.8 | 119.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 121 | G | 29.2 | Very low | 34.4 | Very low | 80 Ų | 80 | 101 Ų | 101 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | cis | 165.9 | 136.4 | 3.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 122 | G | 33.7 | Very low | 34.9 | Very low | 85 Ų | 85 | 100.2 Ų | 100.2 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | 80.9 | 88.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 123 | S | 34 | Very low | 35.4 | Very low | 133 Ų | 133 | 95 Ų | 95 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -129.8 | 125.1 | 145.8 | -116.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 124 | S | 39.1 | Very low | 36.6 | Very low | 126 Ų | 126 | 96.9 Ų | 96.9 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -100.1 | 134 | -177.6 | 42.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 125 | G | 34.5 | Very low | 37.9 | Very low | 85 Ų | 85 | 96.8 Ų | 96.8 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | 99.2 | 119.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 126 | G | 33.7 | Very low | 39.4 | Very low | 77 Ų | 77 | 99.8 Ų | 99.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | cis | 159.9 | 141.3 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 127 | S | 40.9 | Very low | 41.7 | Very low | 126 Ų | 126 | 102.3 Ų | 102.3 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | 133 | 89.1 | 147.3 | -153.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 128 | S | 41.8 | Very low | 44.3 | Very low | 125 Ų | 125 | 104.3 Ų | 104.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 177.2 | 106.6 | 144.6 | 47.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 129 | G | 36.5 | Very low | 47.1 | Very low | 82 Ų | 82 | 98.5 Ų | 98.5 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 140.8 | 108.2 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 130 | G | 40.2 | Very low | 50 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 92% | 0.918 | 75% | 0.748 | S | S | * | * | trans | 65.3 | 85.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 131 | G | 36.6 | Very low | 53.2 | Low | 60 Ų | 60 | 104.4 Ų | 104.4 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | trans | -143.4 | 52.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | G133 | G131-G133 VanDerWaalsContact C-N 3.27Å; G131-G133 PolarHBondContact O-N 3.06Å; G131-G133 VanDerWaalsContact O-N 3.11Å | ||
| 132 | G | 44 | Very low | 56.4 | Low | 75 Ų | 75 | 102.7 Ų | 102.7 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 16.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 133 | G | 45.2 | Very low | 59.5 | Low | 53 Ų | 53 | 101.6 Ų | 101.6 | 55% | 0.546 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110 | -40.4 | -170 | 0 | 0 | 0 | 0 | 0 | 116.8 | G131 | G131-G133 VanDerWaalsContact C-N 3.27Å; G131-G133 PolarHBondContact O-N 3.06Å; G131-G133 VanDerWaalsContact O-N 3.11Å |
| 134 | T | 56.6 | Low | 62.5 | Low | 115 Ų | 115 | 99.4 Ų | 99.4 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -16.3 | -164.3 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | Q136 | T134-Q136 VanDerWaalsContact C-N 3.34Š|
| 135 | D | 58.4 | Low | 65.3 | Low | 107 Ų | 107 | 94.3 Ų | 94.3 | 57% | 0.572 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -80.8 | -15.5 | 175 | -80.9 | -39.4 | 0 | 0 | 0 | 112.8 | ||
| 136 | Q | 59.8 | Low | 68.3 | Low | 145 Ų | 145 | 92.5 Ų | 92.5 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -75.7 | -35.1 | 176.7 | -64.5 | -66.5 | 17.9 | 0 | 0 | 112.2 | T134 R138 | T134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-R138 PolarHBondContact O-N 2.7Å |
| 137 | D | 80.8 | Confident | 71.4 | Confident | 141 Ų | 141 | 92.8 Ų | 92.8 | 75% | 0.754 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -73.7 | -17.6 | 175.4 | -69.3 | -19 | 0 | 0 | 0 | 112.6 | V139 | D137-V139 PolarHBondContact O-N 3.37Š|
| 138 | R | 87.4 | Confident | 74.1 | Confident | 144 Ų | 144 | 88 Ų | 88 | 54% | 0.543 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -78.5 | 108.4 | 179.2 | -173.3 | 179.3 | 179 | 177.6 | 3.3 | 110.5 | Q136 K140 | Q136-R138 PolarHBondContact O-N 2.7Å; R138-K140 PolarHBondContact O-N 2.78Å; R138-K140 VanDerWaalsContact O-N 3.12Å |
| 139 | V | 92.8 | Very high | 76.8 | Confident | 44 Ų | 44 | 82.7 Ų | 82.7 | 27% | 0.267 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 117.7 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | D137 H199 Y203 Y206 | D137-V139 PolarHBondContact O-N 3.37Å; V139-H199 WeakPolarHBondContact CG1-CE1 3.32Å; V139-Y203 HydrophobicContact CB-CD1 4.49Å; V139-Y203 HydrophobicContact CG1-CD1 3.99Å; V139-Y203 HydrophobicContact CG1-CD2 3.67Å; V139-Y203 HydrophobicContact CG1-CE1 4.22Å; V139-Y203 HydrophobicContact CG1-CE2 3.9Å; V139-Y203 HydrophobicContact CG1-CG 3.69Å; V139-Y203 HydrophobicContact CG2-CD1 3.6Å; V139-Y203 HydrophobicContact CG2-CE1 3.72Å; V139-Y203 HydrophobicContact CG2-CG 4.15Å; V139-Y206 HydrophobicContact CB-CD2 3.81Å; V139-Y206 HydrophobicContact CB-CE2 3.99Å; V139-Y206 HydrophobicContact CG1-CD2 3.44Å; V139-Y206 VanDerWaalsContact CG1-CD2 3.44Å; V139-Y206 HydrophobicContact CG1-CE2 3.72Å; V139-Y206 HydrophobicContact CG1-CG 4.35Å; V139-Y206 WeakPolarHBondContact O-CE2 3.16Å |
| 140 | K | 95.2 | Very high | 79.7 | Confident | 156 Ų | 156 | 78.8 Ų | 78.8 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 155.2 | 177.8 | -74.4 | 171.2 | 178.7 | 138.5 | 0 | 110.3 | R138 H199 | R138-K140 PolarHBondContact O-N 2.78Å; R138-K140 VanDerWaalsContact O-N 3.12Å; K140-H199 PolarHBondContact O-CE1 3.32Å; K140-H199 PolarHBondContact O-NE2 2.76Å |
| 141 | R | 96.8 | Very high | 82.3 | Confident | 145 Ų | 145 | 80.2 Ų | 80.2 | 55% | 0.547 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 146.5 | 176 | -60.9 | 170.7 | -163.8 | -140.1 | 17.6 | 110.4 | Y206 Y208 | R141-Y206 WeakPolarHBondContact CG-OH 3.29Å; R141-Y208 PolarHBondContact NH1-OH 3.21Å; R141-Y208 VanDerWaalsContact NH1-OH 3.13Å; R141-Y208 PolarHBondContact NH2-OH 2.89Å |
| 142 | P | 97.2 | Very high | 85.1 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 28% | 0.279 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -64 | 147.2 | 167.7 | 28 | -32.5 | 0 | 0 | 0 | 109.9 | H199 | P142-H199 HydrophobicContact CB-CB 3.99Å; P142-H199 HydrophobicContact CG-CB 4.19Å |
| 143 | M | 97.6 | Very high | 87.6 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 135.1 | 179.5 | -68.8 | 175.4 | 60.1 | 0 | 0 | 110.5 | M147 V148 R151 L195 | M143-M147 HydrophobicContact CB-CB 4.07Å; M143-M147 HydrophobicContact CE-CB 3.96Å; M143-M147 WeakPolarHBondContact CE-O 3.38Å; M143-M147 HydrophobicContact CG-CB 4.4Å; M143-V148 HydrophobicContact CB-CG2 3.85Å; M143-V148 HydrophobicContact CE-CG2 4.39Å; M143-R151 HydrophobicContact CE-CB 4.29Å; M143-L195 HydrophobicContact CB-CD1 4.27Å |
| 144 | N | 98.2 | Very high | 90 | Very high | 88 Ų | 88 | 76.9 Ų | 76.9 | 47% | 0.471 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 170.8 | 170.7 | 71.5 | 23.3 | 0 | 0 | 0 | 111.1 | F146 M147 V148 | N144-F146 PolarHBondContact O-N 2.76Å; N144-F146 PolarHBondContact OD1-N 2.89Å; N144-M147 WeakPolarHBondContact O-CB 2.91Å; N144-M147 PolarHBondContact O-N 3.35Å; N144-M147 WeakPolarHBondContact OD1-CB 3.47Å; N144-M147 WeakPolarHBondContact OD1-CG 3.33Å; N144-M147 PolarHBondContact OD1-N 2.75Å; N144-V148 WeakPolarHBondContact O-CG2 3.42Å; N144-V148 PolarHBondContact O-N 3.49Å |
| 145 | A | 97.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 76.9 Ų | 76.9 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.1 | -47.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M147 V148 W149 W177 I189 A192 | A145-M147 VanDerWaalsContact C-N 3.33Å; A145-M147 PolarHBondContact O-N 2.88Å; A145-V148 PolarHBondContact O-N 3.43Å; A145-W149 PolarHBondContact O-N 3.28Å; A145-W177 HydrophobicContact CB-CH2 4.17Å; A145-W177 HydrophobicContact CB-CZ2 4.13Å; A145-I189 HydrophobicContact CB-CB 4.49Å; A145-I189 HydrophobicContact CB-CG1 3.88Å; A145-A192 HydrophobicContact CB-CB 4.11Å; A145-A192 VanDerWaalsContact N-CB 3.32Å |
| 146 | F | 97.9 | Very high | 93.7 | Very high | 48 Ų | 48 | 77.4 Ų | 77.4 | 21% | 0.211 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.2 | 170 | -99.7 | 0 | 0 | 0 | 112.2 | N144 W149 S150 W177 | N144-F146 PolarHBondContact O-N 2.76Å; N144-F146 PolarHBondContact OD1-N 2.89Å; F146-W149 AromaticContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CZ3 4.04Å; F146-W149 HydrophobicContact CE2-CE3 4.05Å; F146-W149 AromaticContact CE2-CZ3 3.74Å; F146-W149 HydrophobicContact CE2-CZ3 3.74Å; F146-S150 WeakPolarHBondContact O-CB 3.29Å; F146-S150 PolarHBondContact O-N 3.47Å; F146-S150 PolarHBondContact O-OG 2.71Å; F146-W177 HydrophobicContact CB-CD2 4.44Å; F146-W177 HydrophobicContact CD2-CB 3.79Å; F146-W177 AromaticContact CD2-CD1 3.94Å; F146-W177 AromaticContact CD2-CD2 3.98Å; F146-W177 HydrophobicContact CD2-CD2 3.98Å; F146-W177 AromaticContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CE2-CB 3.98Å; F146-W177 HydrophobicContact CE2-CG 4.29Å |
| 147 | M | 98 | Very high | 95.3 | Very high | 82 Ų | 82 | 71.6 Ų | 71.6 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67 | -37.7 | 178.5 | -71.2 | -64.2 | -178.1 | 0 | 0 | 111.4 | M143 N144 A145 S150 R151 | M143-M147 HydrophobicContact CB-CB 4.07Å; M143-M147 HydrophobicContact CE-CB 3.96Å; M143-M147 WeakPolarHBondContact CE-O 3.38Å; M143-M147 HydrophobicContact CG-CB 4.4Å; N144-M147 WeakPolarHBondContact O-CB 2.91Å; N144-M147 PolarHBondContact O-N 3.35Å; N144-M147 WeakPolarHBondContact OD1-CB 3.47Å; N144-M147 WeakPolarHBondContact OD1-CG 3.33Å; N144-M147 PolarHBondContact OD1-N 2.75Å; A145-M147 VanDerWaalsContact C-N 3.33Å; A145-M147 PolarHBondContact O-N 2.88Å; M147-S150 WeakPolarHBondContact CA-OG 3.33Å; M147-S150 PolarHBondContact O-OG 3.31Å; M147-R151 PolarHBondContact O-N 3.03Å |
| 148 | V | 97.8 | Very high | 96 | Very high | 26 Ų | 26 | 66.9 Ų | 66.9 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -53.9 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | M143 N144 A145 R151 F188 E191 A192 L195 | M143-V148 HydrophobicContact CB-CG2 3.85Å; M143-V148 HydrophobicContact CE-CG2 4.39Å; N144-V148 WeakPolarHBondContact O-CG2 3.42Å; N144-V148 PolarHBondContact O-N 3.49Å; A145-V148 PolarHBondContact O-N 3.43Å; V148-R151 PolarHBondContact O-N 2.95Å; V148-F188 HydrophobicContact CG1-CD1 4.19Å; V148-E191 HydrophobicContact CG1-CB 4.39Å; V148-E191 HydrophobicContact CG1-CG 3.89Å; V148-A192 HydrophobicContact CG2-CB 4.4Å; V148-L195 HydrophobicContact CG2-CD1 3.76Å |
| 149 | W | 97.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 179.2 | 170.5 | 81.1 | 0 | 0 | 0 | 113 | A145 F146 R151 G152 Q153 L173 D176 W177 L180 F188 | A145-W149 PolarHBondContact O-N 3.28Å; F146-W149 AromaticContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CE3 3.93Å; F146-W149 HydrophobicContact CD2-CZ3 4.04Å; F146-W149 HydrophobicContact CE2-CE3 4.05Å; F146-W149 AromaticContact CE2-CZ3 3.74Å; F146-W149 HydrophobicContact CE2-CZ3 3.74Å; W149-R151 PolarHBondContact O-N 3.24Å; W149-R151 VanDerWaalsContact O-N 3.12Å; W149-G152 PolarHBondContact O-N 2.99Å; W149-Q153 HydrophobicContact CD2-CG 4.12Å; W149-Q153 HydrophobicContact CH2-CG 4.39Å; W149-Q153 HydrophobicContact CZ2-CB 4.48Å; W149-Q153 HydrophobicContact CZ2-CG 3.78Å; W149-Q153 PolarHBondContact O-N 3.13Å; W149-L173 HydrophobicContact CH2-CB 4.19Å; W149-L173 HydrophobicContact CH2-CD2 3.93Å; W149-L173 VanDerWaalsContact CH2-O 3.25Å; W149-L173 WeakPolarHBondContact CH2-O 3.42Å; W149-L173 HydrophobicContact CZ3-CB 3.97Å; W149-L173 HydrophobicContact CZ3-CD2 4.28Å; W149-L173 WeakPolarHBondContact CZ3-O 3.37Å; W149-D176 HydrophobicContact CH2-CB 3.87Å; W149-D176 HydrophobicContact CZ2-CB 4.24Å; W149-W177 HydrophobicContact CB-CE3 4.06Å; W149-W177 HydrophobicContact CB-CH2 4.43Å; W149-W177 HydrophobicContact CB-CZ3 3.59Å; W149-W177 AromaticContact CD2-CE3 3.45Å; W149-W177 HydrophobicContact CD2-CE3 3.45Å; W149-W177 VanDerWaalsContact CD2-CE3 3.45Å; W149-W177 AromaticContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CE3-CB 4.17Å; W149-W177 HydrophobicContact CE3-CD2 4.2Å; W149-W177 AromaticContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CG 4.49Å; W149-W177 HydrophobicContact CE3-CZ3 4.26Å; W149-W177 AromaticContact CG-CE3 3.71Å; W149-W177 HydrophobicContact CG-CE3 3.71Å; W149-W177 AromaticContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CH2-CB 4.04Å; W149-W177 HydrophobicContact CZ3-CB 3.69Å; W149-W177 HydrophobicContact CZ3-CE3 4.18Å; W149-W177 HydrophobicContact CZ3-CG 4.47Å; W149-L180 HydrophobicContact CZ2-CD1 4.03Å; W149-L180 HydrophobicContact CZ2-CD2 4.43Å; W149-F188 HydrophobicContact CB-CB 4.26Å; W149-F188 HydrophobicContact CB-CD1 3.79Å; W149-F188 HydrophobicContact CB-CD2 4.15Å; W149-F188 HydrophobicContact CB-CE1 4.17Å; W149-F188 HydrophobicContact CB-CG 3.78Å; W149-F188 AromaticContact CD1-CD2 3.9Å; W149-F188 AromaticContact CD1-CE2 3.52Å; W149-F188 AromaticContact CD1-CZ 3.59Å; W149-F188 HydrophobicContact CG-CD2 4.34Å; W149-F188 HydrophobicContact CG-CE2 4.36Å; W149-F188 HydrophobicContact CG-CG 4.43Å; W149-F188 HydrophobicContact CG-CZ 4.46Å |
| 150 | S | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -18.2 | -174.9 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | F146 M147 R154 | F146-S150 WeakPolarHBondContact O-CB 3.29Å; F146-S150 PolarHBondContact O-N 3.47Å; F146-S150 PolarHBondContact O-OG 2.71Å; M147-S150 WeakPolarHBondContact CA-OG 3.33Å; M147-S150 PolarHBondContact O-OG 3.31Å; S150-R154 WeakPolarHBondContact O-CA 3.45Å; S150-R154 WeakPolarHBondContact O-CB 3.47Å; S150-R154 PolarHBondContact O-N 3.41Å |
| 151 | R | 95.9 | Very high | 96 | Very high | 119 Ų | 119 | 65.6 Ų | 65.6 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66 | -45 | 179.2 | -163.3 | 177.9 | 174.7 | -175.9 | -1.2 | 111.9 | M143 M147 V148 W149 R155 Y404 | M143-R151 HydrophobicContact CE-CB 4.29Å; M147-R151 PolarHBondContact O-N 3.03Å; V148-R151 PolarHBondContact O-N 2.95Å; W149-R151 PolarHBondContact O-N 3.24Å; W149-R151 VanDerWaalsContact O-N 3.12Å; R151-R155 PolarHBondContact O-N 3.33Å; R151-Y404 WeakPolarHBondContact CB-OH 3.44Å; R151-Y404 WeakPolarHBondContact CD-OH 3.47Å; R151-Y404 HydrophobicContact CG-CE1 4.43Å; R151-Y404 WeakPolarHBondContact CG-OH 3.16Å |
| 152 | G | 94.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.2 | -47.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W149 R154 R155 K156 | W149-G152 PolarHBondContact O-N 2.99Å; G152-R154 PolarHBondContact O-N 2.94Å; G152-R155 WeakPolarHBondContact O-CB 3.34Å; G152-R155 PolarHBondContact O-N 3.18Å; G152-K156 PolarHBondContact O-N 2.94Å |
| 153 | Q | 96.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 72.2 Ų | 72.2 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | -178 | -59.6 | -54.1 | -38.9 | 0 | 0 | 112.8 | W149 R155 K156 M157 L173 | W149-Q153 HydrophobicContact CD2-CG 4.12Å; W149-Q153 HydrophobicContact CH2-CG 4.39Å; W149-Q153 HydrophobicContact CZ2-CB 4.48Å; W149-Q153 HydrophobicContact CZ2-CG 3.78Å; W149-Q153 PolarHBondContact O-N 3.13Å; Q153-R155 VanDerWaalsContact C-N 3.3Å; Q153-R155 PolarHBondContact O-N 2.98Å; Q153-K156 PolarHBondContact O-N 2.77Å; Q153-M157 WeakPolarHBondContact O-CG 3.13Å; Q153-M157 PolarHBondContact O-N 2.74Å; Q153-L173 HydrophobicContact CB-CD1 4.45Å; Q153-L173 HydrophobicContact CB-CD2 3.41Å; Q153-L173 VanDerWaalsContact CB-CD2 3.41Å; Q153-L173 HydrophobicContact CG-CD2 4.45Å |
| 154 | R | 96.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 71 Ų | 71 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -40.1 | 174.3 | -178.2 | -173.7 | -72.7 | 121.5 | 5.4 | 111.8 | S150 G152 A158 N166 I169 L173 | S150-R154 WeakPolarHBondContact O-CA 3.45Å; S150-R154 WeakPolarHBondContact O-CB 3.47Å; S150-R154 PolarHBondContact O-N 3.41Å; G152-R154 PolarHBondContact O-N 2.94Å; R154-A158 VanDerWaalsContact O-CB 3.24Å; R154-A158 WeakPolarHBondContact O-CB 3.27Å; R154-A158 PolarHBondContact O-N 3.29Å; R154-N166 WeakPolarHBondContact CD-ND2 3.02Å; R154-I169 HydrophobicContact CB-CG2 4.36Å; R154-I169 HydrophobicContact CG-CG2 4Å; R154-L173 HydrophobicContact CB-CD1 3.7Å; R154-L173 HydrophobicContact CG-CD1 4.48Å |
| 155 | R | 96.3 | Very high | 95.1 | Very high | 116 Ų | 116 | 73.4 Ų | 73.4 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 176.7 | -177.3 | -178.5 | -66.3 | 172.6 | -1 | 110.5 | R151 G152 Q153 A158 L159 M403 | R151-R155 PolarHBondContact O-N 3.33Å; G152-R155 WeakPolarHBondContact O-CB 3.34Å; G152-R155 PolarHBondContact O-N 3.18Å; Q153-R155 VanDerWaalsContact C-N 3.3Å; Q153-R155 PolarHBondContact O-N 2.98Å; R155-A158 PolarHBondContact O-N 2.95Å; R155-L159 HydrophobicContact CG-CD1 4.19Å; R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 3.23Å; R155-M403 PolarHBondContact NH1-SD 3.28Å |
| 156 | K | 95.7 | Very high | 94.9 | Very high | 117 Ų | 117 | 76.2 Ų | 76.2 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.9 | -51.9 | 177.3 | -177.9 | -179.8 | 171.4 | -177.6 | 0 | 111.7 | G152 Q153 A158 L159 E160 | G152-K156 PolarHBondContact O-N 2.94Å; Q153-K156 PolarHBondContact O-N 2.77Å; K156-A158 VanDerWaalsContact C-N 3.32Å; K156-A158 PolarHBondContact O-N 3.48Å; K156-L159 PolarHBondContact O-N 3.33Å; K156-L159 VanDerWaalsContact O-N 3.16Å; K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 WeakPolarHBondContact CG-OE1 3.1Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.12Å |
| 157 | M | 93.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 77 Ų | 77 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 179.8 | -70.9 | -171.2 | 74.4 | 0 | 0 | 113.4 | Q153 L159 E160 N161 M164 I169 R172 L173 | Q153-M157 WeakPolarHBondContact O-CG 3.13Å; Q153-M157 PolarHBondContact O-N 2.74Å; M157-L159 VanDerWaalsContact C-N 3.33Å; M157-E160 PolarHBondContact O-N 3.42Å; M157-N161 WeakPolarHBondContact O-CB 3.45Å; M157-N161 PolarHBondContact O-N 3.18Å; M157-M164 HydrophobicContact CE-SD 4.41Å; M157-I169 HydrophobicContact CB-CG2 3.92Å; M157-I169 HydrophobicContact CE-CG2 4.49Å; M157-I169 HydrophobicContact SD-CG2 3.95Å; M157-R172 HydrophobicContact CE-CB 3.91Å; M157-R172 HydrophobicContact CE-CG 4.45Å; M157-L173 HydrophobicContact CG-CD2 4.49Å; M157-L173 HydrophobicContact SD-CD2 3.49Å; M157-L173 WeakPolarHBondContact SD-CD2 3.44Å; M157-L173 HydrophobicContact SD-CG 3.81Å |
| 158 | A | 94.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 76 Ų | 76 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.9 | -32.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R154 R155 K156 N161 P162 I169 | R154-A158 VanDerWaalsContact O-CB 3.24Å; R154-A158 WeakPolarHBondContact O-CB 3.27Å; R154-A158 PolarHBondContact O-N 3.29Å; R155-A158 PolarHBondContact O-N 2.95Å; K156-A158 VanDerWaalsContact C-N 3.32Å; K156-A158 PolarHBondContact O-N 3.48Å; A158-N161 CarbonylContact O-C 3.37Å; A158-P162 VanDerWaalsContact O-CA 3.3Å; A158-P162 WeakPolarHBondContact O-CA 3.44Å; A158-I169 HydrophobicContact CB-CD1 4.05Å |
| 159 | L | 94.4 | Very high | 94.7 | Very high | 136 Ų | 136 | 74.9 Ų | 74.9 | 71% | 0.712 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -72.2 | -41.8 | 174.6 | -69.5 | 169.8 | 0 | 0 | 0 | 111.6 | R155 K156 M157 N161 | R155-L159 HydrophobicContact CG-CD1 4.19Å; R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 3.23Å; K156-L159 PolarHBondContact O-N 3.33Å; K156-L159 VanDerWaalsContact O-N 3.16Å; M157-L159 VanDerWaalsContact C-N 3.33Å; L159-N161 VanDerWaalsContact C-N 3.33Å |
| 160 | E | 92.4 | Very high | 94.7 | Very high | 118 Ų | 118 | 76 Ų | 76 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.4 | -30.9 | 177.4 | -68.7 | 171 | -178.1 | 0 | 0 | 112.2 | K156 M157 | K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 WeakPolarHBondContact CG-OE1 3.1Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.12Å; M157-E160 PolarHBondContact O-N 3.42Å |
| 161 | N | 88.7 | Confident | 94.7 | Very high | 64 Ų | 64 | 82.3 Ų | 82.3 | 34% | 0.342 | 41% | 0.405 | S | S | . | . | trans | -131.9 | 72.2 | -177.1 | -61.9 | -94.9 | 0 | 0 | 0 | 111.2 | M157 A158 L159 K163 M164 | M157-N161 WeakPolarHBondContact O-CB 3.45Å; M157-N161 PolarHBondContact O-N 3.18Å; A158-N161 CarbonylContact O-C 3.37Å; L159-N161 VanDerWaalsContact C-N 3.33Å; N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.1Å; N161-M164 HydrophobicContact CB-CB 3.7Å; N161-M164 HydrophobicContact CB-CE 3.81Å; N161-M164 HydrophobicContact CB-SD 4.48Å; N161-M164 WeakPolarHBondContact O-CB 3.33Å; N161-M164 PolarHBondContact O-N 3.07Å | ||
| 162 | P | 90.4 | Very high | 94.8 | Very high | 113 Ų | 113 | 82 Ų | 82 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.7 | -175.2 | 24.8 | -34.3 | 0 | 0 | 0 | 113.9 | A158 | A158-P162 VanDerWaalsContact O-CA 3.3Å; A158-P162 WeakPolarHBondContact O-CA 3.44Å |
| 163 | K | 92.9 | Very high | 94.9 | Very high | 213 Ų | 213 | 81.5 Ų | 81.5 | 93% | 0.926 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.8 | 174.3 | -67.5 | -179 | 178 | 175 | 0 | 113.5 | N161 | N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.1Å |
| 164 | M | 92.6 | Very high | 95 | Very high | 36 Ų | 36 | 80.4 Ų | 80.4 | 18% | 0.177 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -79.7 | 126.1 | -177.7 | -170.9 | -177.7 | -63.4 | 0 | 0 | 110.6 | M157 N161 E168 I169 R172 | M157-M164 HydrophobicContact CE-SD 4.41Å; N161-M164 HydrophobicContact CB-CB 3.7Å; N161-M164 HydrophobicContact CB-CE 3.81Å; N161-M164 HydrophobicContact CB-SD 4.48Å; N161-M164 WeakPolarHBondContact O-CB 3.33Å; N161-M164 PolarHBondContact O-N 3.07Å; M164-E168 HydrophobicContact CG-CB 3.98Å; M164-E168 HydrophobicContact CG-CG 3.94Å; M164-E168 HydrophobicContact SD-CB 4.47Å; M164-E168 HydrophobicContact SD-CG 4.05Å; M164-I169 HydrophobicContact CB-CG1 4.3Å; M164-I169 HydrophobicContact CG-CG1 3.83Å; M164-I169 HydrophobicContact SD-CG1 3.62Å; M164-R172 VanDerWaalsContact CE-CZ 3.47Å; M164-R172 VanDerWaalsContact CE-NH1 3.26Å |
| 165 | H | 95.1 | Very high | 95 | Very high | 139 Ų | 139 | 80 Ų | 80 | 64% | 0.644 | 41% | 0.408 | S | S | * | . | trans | -71.8 | 148.1 | 179.9 | -165.9 | 56.7 | 0 | 0 | 0 | 112 | S167 E168 I169 | H165-S167 PolarHBondContact CD2-OG 2.91Å; H165-S167 VanDerWaalsContact CD2-OG 3.25Å; H165-S167 PolarHBondContact O-N 3.38Å; H165-S167 VanDerWaalsContact O-N 3.16Å; H165-E168 WeakPolarHBondContact O-CB 3.34Å; H165-E168 PolarHBondContact O-N 3.25Å; H165-I169 PolarHBondContact O-N 3.32Å; H165-I169 VanDerWaalsContact O-N 3.14Å | ||
| 166 | N | 93.7 | Very high | 95 | Very high | 78 Ų | 78 | 77.5 Ų | 77.5 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.8 | -31.4 | -174.7 | -170 | -80.9 | 0 | 0 | 0 | 113.8 | R154 E168 I169 S170 | R154-N166 WeakPolarHBondContact CD-ND2 3.02Å; N166-E168 PolarHBondContact O-N 3.19Å; N166-I169 PolarHBondContact O-N 3.04Å; N166-S170 VanDerWaalsContact O-CB 3.32Å; N166-S170 WeakPolarHBondContact O-CB 3.37Å; N166-S170 PolarHBondContact O-N 3.49Å; N166-S170 PolarHBondContact O-OG 3.07Å; N166-S170 PolarHBondContact OD1-OG 3.35Å |
| 167 | S | 96.2 | Very high | 95.1 | Very high | 64 Ų | 64 | 74 Ų | 74 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 175.8 | 65 | 0 | 0 | 0 | 0 | 111.9 | H165 K171 | H165-S167 PolarHBondContact CD2-OG 2.91Å; H165-S167 VanDerWaalsContact CD2-OG 3.25Å; H165-S167 PolarHBondContact O-N 3.38Å; H165-S167 VanDerWaalsContact O-N 3.16Å; S167-K171 WeakPolarHBondContact O-CE 3.43Å; S167-K171 WeakPolarHBondContact O-CG 3.37Å; S167-K171 PolarHBondContact O-N 3.32Å; S167-K171 VanDerWaalsContact O-N 3.16Å |
| 168 | E | 96.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 80.9 Ų | 80.9 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -75 | -43.7 | 177 | -174.9 | 57.5 | -156 | 0 | 0 | 111.2 | M164 H165 N166 S170 K171 R172 | M164-E168 HydrophobicContact CG-CB 3.98Å; M164-E168 HydrophobicContact CG-CG 3.94Å; M164-E168 HydrophobicContact SD-CB 4.47Å; M164-E168 HydrophobicContact SD-CG 4.05Å; H165-E168 WeakPolarHBondContact O-CB 3.34Å; H165-E168 PolarHBondContact O-N 3.25Å; N166-E168 PolarHBondContact O-N 3.19Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 3.16Å; E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 2.89Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE2-CE 3.3Å; E168-K171 IonicContact OE2-NZ 2.67Å; E168-K171 PolarHBondContact OE2-NZ 2.93Å; E168-R172 PolarHBondContact O-N 3.1Å; E168-R172 VanDerWaalsContact O-N 3.1Å; E168-R172 IonicContact OE1-CZ 3.86Å; E168-R172 IonicContact OE1-NE 3.19Å; E168-R172 PolarHBondContact OE1-NE 3.28Å; E168-R172 IonicContact OE1-NH2 3.59Å |
| 169 | I | 96.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 85.7 Ų | 85.7 | 2% | 0.015 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 173.3 | -61.2 | 173.4 | 0 | 0 | 0 | 110.2 | R154 M157 A158 M164 H165 N166 K171 R172 L173 | R154-I169 HydrophobicContact CB-CG2 4.36Å; R154-I169 HydrophobicContact CG-CG2 4Å; M157-I169 HydrophobicContact CB-CG2 3.92Å; M157-I169 HydrophobicContact CE-CG2 4.49Å; M157-I169 HydrophobicContact SD-CG2 3.95Å; A158-I169 HydrophobicContact CB-CD1 4.05Å; M164-I169 HydrophobicContact CB-CG1 4.3Å; M164-I169 HydrophobicContact CG-CG1 3.83Å; M164-I169 HydrophobicContact SD-CG1 3.62Å; H165-I169 PolarHBondContact O-N 3.32Å; H165-I169 VanDerWaalsContact O-N 3.14Å; N166-I169 PolarHBondContact O-N 3.04Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 2.99Å; I169-R172 PolarHBondContact O-N 3.47Å; I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CG 3.28Å; I169-L173 WeakPolarHBondContact O-CG 2.81Å; I169-L173 PolarHBondContact O-N 3.11Å |
| 170 | S | 97.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 80.8 Ų | 80.8 | 26% | 0.259 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -32.8 | -179.2 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | N166 E168 G174 | N166-S170 VanDerWaalsContact O-CB 3.32Å; N166-S170 WeakPolarHBondContact O-CB 3.37Å; N166-S170 PolarHBondContact O-N 3.49Å; N166-S170 PolarHBondContact O-OG 3.07Å; N166-S170 PolarHBondContact OD1-OG 3.35Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 3.16Å; S170-G174 PolarHBondContact O-N 2.95Å; S170-G174 VanDerWaalsContact O-N 3.07Å |
| 171 | K | 97.9 | Very high | 95.8 | Very high | 133 Ų | 133 | 78.7 Ų | 78.7 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.6 | -48.4 | 172.7 | -84.4 | -178.1 | -94 | 155.6 | 0 | 111.5 | S167 E168 I169 G174 A175 | S167-K171 WeakPolarHBondContact O-CE 3.43Å; S167-K171 WeakPolarHBondContact O-CG 3.37Å; S167-K171 PolarHBondContact O-N 3.32Å; S167-K171 VanDerWaalsContact O-N 3.16Å; E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 2.89Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE2-CE 3.3Å; E168-K171 IonicContact OE2-NZ 2.67Å; E168-K171 PolarHBondContact OE2-NZ 2.93Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 2.99Å; K171-G174 PolarHBondContact O-N 3.03Å; K171-A175 PolarHBondContact O-N 3.12Å |
| 172 | R | 97.3 | Very high | 96.2 | Very high | 112 Ų | 112 | 81.3 Ų | 81.3 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 179.3 | -66.1 | 178.1 | -174.5 | -155.1 | 2.5 | 111.9 | M157 M164 E168 I169 G174 A175 D176 | M157-R172 HydrophobicContact CE-CB 3.91Å; M157-R172 HydrophobicContact CE-CG 4.45Å; M164-R172 VanDerWaalsContact CE-CZ 3.47Å; M164-R172 VanDerWaalsContact CE-NH1 3.26Å; E168-R172 PolarHBondContact O-N 3.1Å; E168-R172 VanDerWaalsContact O-N 3.1Å; E168-R172 IonicContact OE1-CZ 3.86Å; E168-R172 IonicContact OE1-NE 3.19Å; E168-R172 PolarHBondContact OE1-NE 3.28Å; E168-R172 IonicContact OE1-NH2 3.59Å; I169-R172 PolarHBondContact O-N 3.47Å; R172-G174 PolarHBondContact O-N 2.88Å; R172-A175 WeakPolarHBondContact O-CA 3.4Å; R172-A175 WeakPolarHBondContact O-CB 3.38Å; R172-A175 PolarHBondContact O-N 2.97Å; R172-D176 PolarHBondContact O-N 2.95Å |
| 173 | L | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -35.7 | 175.6 | -67.8 | 178.9 | 0 | 0 | 0 | 113 | W149 Q153 R154 M157 I169 A175 W177 | W149-L173 HydrophobicContact CH2-CB 4.19Å; W149-L173 HydrophobicContact CH2-CD2 3.93Å; W149-L173 VanDerWaalsContact CH2-O 3.25Å; W149-L173 WeakPolarHBondContact CH2-O 3.42Å; W149-L173 HydrophobicContact CZ3-CB 3.97Å; W149-L173 HydrophobicContact CZ3-CD2 4.28Å; W149-L173 WeakPolarHBondContact CZ3-O 3.37Å; Q153-L173 HydrophobicContact CB-CD1 4.45Å; Q153-L173 HydrophobicContact CB-CD2 3.41Å; Q153-L173 VanDerWaalsContact CB-CD2 3.41Å; Q153-L173 HydrophobicContact CG-CD2 4.45Å; R154-L173 HydrophobicContact CB-CD1 3.7Å; R154-L173 HydrophobicContact CG-CD1 4.48Å; M157-L173 HydrophobicContact CG-CD2 4.49Å; M157-L173 HydrophobicContact SD-CD2 3.49Å; M157-L173 WeakPolarHBondContact SD-CD2 3.44Å; M157-L173 HydrophobicContact SD-CG 3.81Å; I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CG 3.28Å; I169-L173 WeakPolarHBondContact O-CG 2.81Å; I169-L173 PolarHBondContact O-N 3.11Å; L173-A175 VanDerWaalsContact C-N 3.29Å; L173-A175 PolarHBondContact O-N 3.24Å; L173-W177 WeakPolarHBondContact O-CB 3.34Å; L173-W177 PolarHBondContact O-N 3.48Å |
| 174 | G | 97.9 | Very high | 96.6 | Very high | 24 Ų | 24 | 73.7 Ų | 73.7 | 25% | 0.247 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.3 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | S170 K171 R172 K178 | S170-G174 PolarHBondContact O-N 2.95Å; S170-G174 VanDerWaalsContact O-N 3.07Å; K171-G174 PolarHBondContact O-N 3.03Å; R172-G174 PolarHBondContact O-N 2.88Å; G174-K178 WeakPolarHBondContact O-CG 3.13Å |
| 175 | A | 97.8 | Very high | 96.8 | Very high | 50 Ų | 50 | 73.3 Ų | 73.3 | 41% | 0.413 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.8 | -49.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K171 R172 L173 W177 K178 L179 | K171-A175 PolarHBondContact O-N 3.12Å; R172-A175 WeakPolarHBondContact O-CA 3.4Å; R172-A175 WeakPolarHBondContact O-CB 3.38Å; R172-A175 PolarHBondContact O-N 2.97Å; L173-A175 VanDerWaalsContact C-N 3.29Å; L173-A175 PolarHBondContact O-N 3.24Å; A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.32Å; A175-K178 WeakPolarHBondContact O-CB 3.46Å; A175-K178 PolarHBondContact O-N 3.48Å; A175-L179 PolarHBondContact O-N 3.38Å |
| 176 | D | 97.1 | Very high | 97 | Very high | 65 Ų | 65 | 74.7 Ų | 74.7 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 179 | -63.1 | -19 | 0 | 0 | 0 | 111.1 | W149 R172 K178 L179 L180 | W149-D176 HydrophobicContact CH2-CB 3.87Å; W149-D176 HydrophobicContact CZ2-CB 4.24Å; R172-D176 PolarHBondContact O-N 2.95Å; D176-K178 PolarHBondContact O-N 3.12Å; D176-L179 WeakPolarHBondContact O-CA 3.2Å; D176-L179 WeakPolarHBondContact O-CB 3.25Å; D176-L179 PolarHBondContact O-N 3.44Å; D176-L180 WeakPolarHBondContact O-CD1 3.28Å; D176-L180 PolarHBondContact O-N 2.79Å |
| 177 | W | 97.7 | Very high | 97.1 | Very high | 43 Ų | 43 | 72.5 Ų | 72.5 | 16% | 0.163 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.5 | -34.7 | 175.7 | -179.8 | -105.9 | 0 | 0 | 0 | 113.5 | A145 F146 W149 L173 A175 L179 L180 K185 F188 | A145-W177 HydrophobicContact CB-CH2 4.17Å; A145-W177 HydrophobicContact CB-CZ2 4.13Å; F146-W177 HydrophobicContact CB-CD2 4.44Å; F146-W177 HydrophobicContact CD2-CB 3.79Å; F146-W177 AromaticContact CD2-CD1 3.94Å; F146-W177 AromaticContact CD2-CD2 3.98Å; F146-W177 HydrophobicContact CD2-CD2 3.98Å; F146-W177 AromaticContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CD2-CG 3.6Å; F146-W177 HydrophobicContact CE2-CB 3.98Å; F146-W177 HydrophobicContact CE2-CG 4.29Å; W149-W177 HydrophobicContact CB-CE3 4.06Å; W149-W177 HydrophobicContact CB-CH2 4.43Å; W149-W177 HydrophobicContact CB-CZ3 3.59Å; W149-W177 AromaticContact CD2-CE3 3.45Å; W149-W177 HydrophobicContact CD2-CE3 3.45Å; W149-W177 VanDerWaalsContact CD2-CE3 3.45Å; W149-W177 AromaticContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CD2-CZ3 3.87Å; W149-W177 HydrophobicContact CE3-CB 4.17Å; W149-W177 HydrophobicContact CE3-CD2 4.2Å; W149-W177 AromaticContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CE3 3.52Å; W149-W177 HydrophobicContact CE3-CG 4.49Å; W149-W177 HydrophobicContact CE3-CZ3 4.26Å; W149-W177 AromaticContact CG-CE3 3.71Å; W149-W177 HydrophobicContact CG-CE3 3.71Å; W149-W177 AromaticContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CG-CZ3 3.57Å; W149-W177 HydrophobicContact CH2-CB 4.04Å; W149-W177 HydrophobicContact CZ3-CB 3.69Å; W149-W177 HydrophobicContact CZ3-CE3 4.18Å; W149-W177 HydrophobicContact CZ3-CG 4.47Å; L173-W177 WeakPolarHBondContact O-CB 3.34Å; L173-W177 PolarHBondContact O-N 3.48Å; A175-W177 VanDerWaalsContact C-N 3.31Å; A175-W177 PolarHBondContact O-N 3.32Å; W177-L179 VanDerWaalsContact C-N 3.32Å; W177-L180 HydrophobicContact CE3-CD2 4.13Å; W177-L180 HydrophobicContact CZ3-CD2 4.24Å; W177-K185 HydrophobicContact CE3-CG 4.44Å; W177-K185 HydrophobicContact CH2-CB 3.99Å; W177-K185 HydrophobicContact CH2-CG 3.7Å; W177-K185 HydrophobicContact CZ2-CB 4.33Å; W177-K185 HydrophobicContact CZ2-CD 4.22Å; W177-K185 HydrophobicContact CZ2-CG 3.89Å; W177-K185 HydrophobicContact CZ3-CG 3.99Å; W177-K185 WeakPolarHBondContact O-CE 3.1Å; W177-K185 PolarHBondContact O-NZ 2.89Å; W177-K185 VanDerWaalsContact O-NZ 3.12Å; W177-F188 HydrophobicContact CH2-CB 4.18Å; W177-F188 HydrophobicContact CZ3-CB 4.46Å; W177-F188 HydrophobicContact CZ3-CD2 4.22Å |
| 178 | K | 97.5 | Very high | 97.2 | Very high | 169 Ų | 169 | 70.2 Ų | 70.2 | 74% | 0.735 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.5 | -32.4 | 177.3 | -70.3 | 175 | -179.5 | -177.6 | 0 | 111.6 | G174 A175 D176 | G174-K178 WeakPolarHBondContact O-CG 3.13Å; A175-K178 WeakPolarHBondContact O-CB 3.46Å; A175-K178 PolarHBondContact O-N 3.48Å; D176-K178 PolarHBondContact O-N 3.12Å |
| 179 | L | 97.3 | Very high | 97.2 | Very high | 142 Ų | 142 | 70.2 Ų | 70.2 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -77 | -24.9 | 179.2 | -64.1 | 173.8 | 0 | 0 | 0 | 113.2 | A175 D176 W177 T181 | A175-L179 PolarHBondContact O-N 3.38Å; D176-L179 WeakPolarHBondContact O-CA 3.2Å; D176-L179 WeakPolarHBondContact O-CB 3.25Å; D176-L179 PolarHBondContact O-N 3.44Å; W177-L179 VanDerWaalsContact C-N 3.32Å; L179-T181 PolarHBondContact O-N 3.28Å |
| 180 | L | 96.1 | Very high | 97.3 | Very high | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -57.4 | 138.2 | 173.6 | -91.4 | 72.4 | 0 | 0 | 0 | 110.9 | W149 D176 W177 E184 K185 | W149-L180 HydrophobicContact CZ2-CD1 4.03Å; W149-L180 HydrophobicContact CZ2-CD2 4.43Å; D176-L180 WeakPolarHBondContact O-CD1 3.28Å; D176-L180 PolarHBondContact O-N 2.79Å; W177-L180 HydrophobicContact CE3-CD2 4.13Å; W177-L180 HydrophobicContact CZ3-CD2 4.24Å; L180-E184 HydrophobicContact CB-CB 4.39Å; L180-E184 HydrophobicContact CD2-CB 4.17Å; L180-E184 HydrophobicContact CG-CB 4.24Å; L180-K185 HydrophobicContact CB-CD 4.45Å; L180-K185 HydrophobicContact CB-CG 4Å; L180-K185 WeakPolarHBondContact O-CE 3.49Å; L180-K185 PolarHBondContact O-NZ 3.07Å |
| 181 | T | 97.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 74.1 Ų | 74.1 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | trans | -70.5 | 159.8 | 172.4 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | L179 A183 E184 K185 | L179-T181 PolarHBondContact O-N 3.28Å; T181-A183 PolarHBondContact O-N 3.16Å; T181-E184 WeakPolarHBondContact CB-OE2 3.46Å; T181-E184 PolarHBondContact N-OE2 3.37Å; T181-E184 PolarHBondContact O-N 3.17Å; T181-E184 VanDerWaalsContact O-N 3.13Å; T181-E184 VanDerWaalsContact OG1-CD 3.3Å; T181-E184 VanDerWaalsContact OG1-CG 3.29Å; T181-E184 WeakPolarHBondContact OG1-CG 3.16Å; T181-E184 PolarHBondContact OG1-N 2.95Å; T181-E184 PolarHBondContact OG1-OE2 3.08Å; T181-K185 WeakPolarHBondContact O-CG 3.37Å; T181-K185 PolarHBondContact O-N 3.15Å | ||
| 182 | D | 96.6 | Very high | 97.3 | Very high | 118 Ų | 118 | 68.3 Ų | 68.3 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.3 | -29.6 | 177 | -70.2 | -23.1 | 0 | 0 | 0 | 112.3 | K185 R186 | D182-K185 PolarHBondContact O-N 3.1Å; D182-R186 WeakPolarHBondContact O-CG 3.47Å; D182-R186 PolarHBondContact O-N 3.25Å |
| 183 | A | 97 | Very high | 97.3 | Very high | 65 Ų | 65 | 69 Ų | 69 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T181 P187 | T181-A183 PolarHBondContact O-N 3.16Å; A183-P187 WeakPolarHBondContact O-CD 3.39Å |
| 184 | E | 95.7 | Very high | 97.4 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.9 | -29.4 | 176.7 | -66.1 | 163.7 | 130.5 | 0 | 0 | 112.2 | L180 T181 P187 F188 | L180-E184 HydrophobicContact CB-CB 4.39Å; L180-E184 HydrophobicContact CD2-CB 4.17Å; L180-E184 HydrophobicContact CG-CB 4.24Å; T181-E184 WeakPolarHBondContact CB-OE2 3.46Å; T181-E184 PolarHBondContact N-OE2 3.37Å; T181-E184 PolarHBondContact O-N 3.17Å; T181-E184 VanDerWaalsContact O-N 3.13Å; T181-E184 VanDerWaalsContact OG1-CD 3.3Å; T181-E184 VanDerWaalsContact OG1-CG 3.29Å; T181-E184 WeakPolarHBondContact OG1-CG 3.16Å; T181-E184 PolarHBondContact OG1-N 2.95Å; T181-E184 PolarHBondContact OG1-OE2 3.08Å; E184-P187 WeakPolarHBondContact O-CD 3.36Å; E184-P187 WeakPolarHBondContact O-CG 3.48Å; E184-F188 VanDerWaalsContact O-CD2 3.29Å; E184-F188 WeakPolarHBondContact O-CD2 3.49Å; E184-F188 WeakPolarHBondContact O-CE2 3.38Å |
| 185 | K | 97.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -76.3 | -32.5 | 176.8 | -69.5 | 166.9 | 172.9 | 153.2 | 0 | 113 | W177 L180 T181 D182 F188 I189 | W177-K185 HydrophobicContact CE3-CG 4.44Å; W177-K185 HydrophobicContact CH2-CB 3.99Å; W177-K185 HydrophobicContact CH2-CG 3.7Å; W177-K185 HydrophobicContact CZ2-CB 4.33Å; W177-K185 HydrophobicContact CZ2-CD 4.22Å; W177-K185 HydrophobicContact CZ2-CG 3.89Å; W177-K185 HydrophobicContact CZ3-CG 3.99Å; W177-K185 WeakPolarHBondContact O-CE 3.1Å; W177-K185 PolarHBondContact O-NZ 2.89Å; W177-K185 VanDerWaalsContact O-NZ 3.12Å; L180-K185 HydrophobicContact CB-CD 4.45Å; L180-K185 HydrophobicContact CB-CG 4Å; L180-K185 WeakPolarHBondContact O-CE 3.49Å; L180-K185 PolarHBondContact O-NZ 3.07Å; T181-K185 WeakPolarHBondContact O-CG 3.37Å; T181-K185 PolarHBondContact O-N 3.15Å; D182-K185 PolarHBondContact O-N 3.1Å; K185-F188 PolarHBondContact O-N 2.99Å; K185-I189 HydrophobicContact CB-CD1 3.87Å; K185-I189 HydrophobicContact CB-CG1 4.45Å; K185-I189 WeakPolarHBondContact O-CG1 3.24Å; K185-I189 PolarHBondContact O-N 3.14Å |
| 186 | R | 97.8 | Very high | 97.3 | Very high | 167 Ų | 167 | 81.1 Ų | 81.1 | 63% | 0.63 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -43.4 | -52.8 | -178.4 | -92.8 | 179.9 | -176.2 | 155.2 | 3 | 114.4 | D182 F188 I189 D190 | D182-R186 WeakPolarHBondContact O-CG 3.47Å; D182-R186 PolarHBondContact O-N 3.25Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.39Å; R186-I189 WeakPolarHBondContact O-CB 3.45Å; R186-I189 PolarHBondContact O-N 2.82Å; R186-I189 VanDerWaalsContact O-N 3.11Å; R186-D190 PolarHBondContact O-N 2.83Å |
| 187 | P | 96.9 | Very high | 97.3 | Very high | 33 Ų | 33 | 81 Ų | 81 | 21% | 0.214 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.7 | -37.3 | -179 | 22.8 | -35.6 | 0 | 0 | 0 | 113.6 | A183 E184 D190 E191 L397 | A183-P187 WeakPolarHBondContact O-CD 3.39Å; E184-P187 WeakPolarHBondContact O-CD 3.36Å; E184-P187 WeakPolarHBondContact O-CG 3.48Å; P187-D190 PolarHBondContact O-N 2.96Å; P187-E191 WeakPolarHBondContact O-CB 2.95Å; P187-E191 PolarHBondContact O-N 3.37Å; P187-L397 HydrophobicContact CB-CD1 3.86Å; P187-L397 HydrophobicContact CB-CD2 3.2Å; P187-L397 HydrophobicContact CB-CG 4.12Å; P187-L397 HydrophobicContact CG-CD1 4.03Å; P187-L397 HydrophobicContact CG-CD2 3.74Å |
| 188 | F | 97.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 82 Ų | 82 | 7% | 0.066 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -75.1 | -29.8 | 177.7 | -54.3 | -71.5 | 0 | 0 | 0 | 112.5 | V148 W149 W177 E184 K185 R186 A192 L397 M400 | V148-F188 HydrophobicContact CG1-CD1 4.19Å; W149-F188 HydrophobicContact CB-CB 4.26Å; W149-F188 HydrophobicContact CB-CD1 3.79Å; W149-F188 HydrophobicContact CB-CD2 4.15Å; W149-F188 HydrophobicContact CB-CE1 4.17Å; W149-F188 HydrophobicContact CB-CG 3.78Å; W149-F188 AromaticContact CD1-CD2 3.9Å; W149-F188 AromaticContact CD1-CE2 3.52Å; W149-F188 AromaticContact CD1-CZ 3.59Å; W149-F188 HydrophobicContact CG-CD2 4.34Å; W149-F188 HydrophobicContact CG-CE2 4.36Å; W149-F188 HydrophobicContact CG-CG 4.43Å; W149-F188 HydrophobicContact CG-CZ 4.46Å; W177-F188 HydrophobicContact CH2-CB 4.18Å; W177-F188 HydrophobicContact CZ3-CB 4.46Å; W177-F188 HydrophobicContact CZ3-CD2 4.22Å; E184-F188 VanDerWaalsContact O-CD2 3.29Å; E184-F188 WeakPolarHBondContact O-CD2 3.49Å; E184-F188 WeakPolarHBondContact O-CE2 3.38Å; K185-F188 PolarHBondContact O-N 2.99Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.39Å; F188-A192 VanDerWaalsContact O-CB 3.3Å; F188-A192 WeakPolarHBondContact O-CB 3.43Å; F188-A192 PolarHBondContact O-N 2.67Å; F188-L397 HydrophobicContact CE1-CD1 3.91Å; F188-L397 HydrophobicContact CE2-CD1 4.39Å; F188-L397 HydrophobicContact CZ-CD1 3.71Å; F188-M400 HydrophobicContact CE1-SD 3.8Å; F188-M400 HydrophobicContact CZ-CE 4.31Å; F188-M400 HydrophobicContact CZ-SD 3.84Å |
| 189 | I | 97.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 74.8 Ų | 74.8 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 172.3 | -68.5 | 166.8 | 0 | 0 | 0 | 109.9 | A145 K185 R186 A192 K193 | A145-I189 HydrophobicContact CB-CB 4.49Å; A145-I189 HydrophobicContact CB-CG1 3.88Å; K185-I189 HydrophobicContact CB-CD1 3.87Å; K185-I189 HydrophobicContact CB-CG1 4.45Å; K185-I189 WeakPolarHBondContact O-CG1 3.24Å; K185-I189 PolarHBondContact O-N 3.14Å; R186-I189 WeakPolarHBondContact O-CB 3.45Å; R186-I189 PolarHBondContact O-N 2.82Å; R186-I189 VanDerWaalsContact O-N 3.11Å; I189-A192 PolarHBondContact O-N 3.37Å; I189-K193 HydrophobicContact CG2-CD 4.49Å; I189-K193 WeakPolarHBondContact O-CG 3.38Å; I189-K193 PolarHBondContact O-N 3.16Å |
| 190 | D | 98 | Very high | 97.2 | Very high | 83 Ų | 83 | 71.9 Ų | 71.9 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | -179.1 | -66.1 | -24.8 | 0 | 0 | 0 | 111.6 | R186 P187 K193 R194 | R186-D190 PolarHBondContact O-N 2.83Å; P187-D190 PolarHBondContact O-N 2.96Å; D190-K193 WeakPolarHBondContact O-CB 3.42Å; D190-K193 PolarHBondContact O-N 2.85Å; D190-K193 IonicContact OD1-NZ 2.85Å; D190-K193 PolarHBondContact OD1-NZ 3.24Å; D190-R194 PolarHBondContact O-N 2.95Å |
| 191 | E | 97.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 79 Ų | 79 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 172.2 | -179.3 | 55.4 | -160.8 | 0 | 0 | 112.3 | V148 P187 K193 R194 L195 | V148-E191 HydrophobicContact CG1-CB 4.39Å; V148-E191 HydrophobicContact CG1-CG 3.89Å; P187-E191 WeakPolarHBondContact O-CB 2.95Å; P187-E191 PolarHBondContact O-N 3.37Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 3.21Å; E191-R194 WeakPolarHBondContact O-CB 3.41Å; E191-R194 PolarHBondContact O-N 3.44Å; E191-R194 IonicContact OE1-CZ 3.35Å; E191-R194 IonicContact OE1-NE 3.19Å; E191-R194 PolarHBondContact OE1-NE 3.31Å; E191-R194 IonicContact OE1-NH2 3.79Å; E191-R194 PolarHBondContact OE1-NH2 3.19Å; E191-R194 IonicContact OE2-CZ 3.72Å; E191-R194 IonicContact OE2-NE 2.79Å; E191-R194 PolarHBondContact OE2-NE 2.79Å; E191-R194 IonicContact OE2-NH2 2.68Å; E191-L195 HydrophobicContact CG-CD1 4.44Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.41Å |
| 192 | A | 97.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 81.2 Ų | 81.2 | 10% | 0.099 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A145 V148 F188 I189 R196 | A145-A192 HydrophobicContact CB-CB 4.11Å; A145-A192 VanDerWaalsContact N-CB 3.32Å; V148-A192 HydrophobicContact CG2-CB 4.4Å; F188-A192 VanDerWaalsContact O-CB 3.3Å; F188-A192 WeakPolarHBondContact O-CB 3.43Å; F188-A192 PolarHBondContact O-N 2.67Å; I189-A192 PolarHBondContact O-N 3.37Å; A192-R196 WeakPolarHBondContact O-CB 3.18Å; A192-R196 PolarHBondContact O-N 2.86Å |
| 193 | K | 98.3 | Very high | 97 | Very high | 125 Ų | 125 | 79.6 Ų | 79.6 | 54% | 0.543 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 171.8 | -70 | 171.8 | -167.8 | 156.3 | 0 | 110.8 | I189 D190 E191 R196 A197 | I189-K193 HydrophobicContact CG2-CD 4.49Å; I189-K193 WeakPolarHBondContact O-CG 3.38Å; I189-K193 PolarHBondContact O-N 3.16Å; D190-K193 WeakPolarHBondContact O-CB 3.42Å; D190-K193 PolarHBondContact O-N 2.85Å; D190-K193 IonicContact OD1-NZ 2.85Å; D190-K193 PolarHBondContact OD1-NZ 3.24Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 3.21Å; K193-R196 WeakPolarHBondContact O-CB 3.3Å; K193-R196 PolarHBondContact O-N 2.86Å; K193-A197 PolarHBondContact O-N 3.27Å |
| 194 | R | 98.1 | Very high | 96.8 | Very high | 117 Ų | 117 | 81.1 Ų | 81.1 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 176.7 | -168.3 | -164.2 | 70.3 | 79.7 | 0.6 | 110.9 | D190 E191 R196 A197 V198 | D190-R194 PolarHBondContact O-N 2.95Å; E191-R194 WeakPolarHBondContact O-CB 3.41Å; E191-R194 PolarHBondContact O-N 3.44Å; E191-R194 IonicContact OE1-CZ 3.35Å; E191-R194 IonicContact OE1-NE 3.19Å; E191-R194 PolarHBondContact OE1-NE 3.31Å; E191-R194 IonicContact OE1-NH2 3.79Å; E191-R194 PolarHBondContact OE1-NH2 3.19Å; E191-R194 IonicContact OE2-CZ 3.72Å; E191-R194 IonicContact OE2-NE 2.79Å; E191-R194 PolarHBondContact OE2-NE 2.79Å; E191-R194 IonicContact OE2-NH2 2.68Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 3.49Å; R194-A197 PolarHBondContact O-N 3.02Å; R194-A197 VanDerWaalsContact O-N 3.16Å; R194-V198 WeakPolarHBondContact O-CG2 2.99Å; R194-V198 PolarHBondContact O-N 3.42Å |
| 195 | L | 97.6 | Very high | 96.7 | Very high | 47 Ų | 47 | 83.7 Ų | 83.7 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 176.4 | -72 | 173.5 | 0 | 0 | 0 | 112.2 | M143 V148 E191 H199 | M143-L195 HydrophobicContact CB-CD1 4.27Å; V148-L195 HydrophobicContact CG2-CD1 3.76Å; E191-L195 HydrophobicContact CG-CD1 4.44Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.41Å; L195-H199 WeakPolarHBondContact O-CB 3.49Å; L195-H199 PolarHBondContact O-N 3.01Å |
| 196 | R | 96.7 | Very high | 96.6 | Very high | 166 Ų | 166 | 84.9 Ų | 84.9 | 63% | 0.626 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 175 | -174.4 | 179 | -178.1 | 179.6 | -0.8 | 111.8 | A192 K193 R194 H199 M200 | A192-R196 WeakPolarHBondContact O-CB 3.18Å; A192-R196 PolarHBondContact O-N 2.86Å; K193-R196 WeakPolarHBondContact O-CB 3.3Å; K193-R196 PolarHBondContact O-N 2.86Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 3.49Å; R196-H199 PolarHBondContact O-N 2.93Å; R196-M200 HydrophobicContact CG-CG 4.48Å; R196-M200 WeakPolarHBondContact O-CG 3.49Å; R196-M200 PolarHBondContact O-N 2.8Å |
| 197 | A | 97.1 | Very high | 96.4 | Very high | 63 Ų | 63 | 85 Ų | 85 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K193 R194 H199 M200 K201 | K193-A197 PolarHBondContact O-N 3.27Å; R194-A197 PolarHBondContact O-N 3.02Å; R194-A197 VanDerWaalsContact O-N 3.16Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3Å; A197-M200 PolarHBondContact O-N 2.68Å; A197-K201 PolarHBondContact O-N 2.76Å |
| 198 | V | 96.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 88.9 Ų | 88.9 | 38% | 0.382 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | R194 M200 K201 E202 | R194-V198 WeakPolarHBondContact O-CG2 2.99Å; R194-V198 PolarHBondContact O-N 3.42Å; V198-M200 VanDerWaalsContact C-N 3.33Å; V198-M200 PolarHBondContact O-N 3.4Å; V198-K201 PolarHBondContact O-N 3.19Å; V198-K201 VanDerWaalsContact O-N 3.12Å; V198-E202 WeakPolarHBondContact O-CB 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å |
| 199 | H | 97.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 97.6 Ų | 97.6 | 8% | 0.083 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62 | -38.9 | 179.9 | -168.1 | 80.3 | 0 | 0 | 0 | 113.3 | V139 K140 P142 L195 R196 A197 K201 Y203 Y206 | V139-H199 WeakPolarHBondContact CG1-CE1 3.32Å; K140-H199 PolarHBondContact O-CE1 3.32Å; K140-H199 PolarHBondContact O-NE2 2.76Å; P142-H199 HydrophobicContact CB-CB 3.99Å; P142-H199 HydrophobicContact CG-CB 4.19Å; L195-H199 WeakPolarHBondContact O-CB 3.49Å; L195-H199 PolarHBondContact O-N 3.01Å; R196-H199 PolarHBondContact O-N 2.93Å; A197-H199 VanDerWaalsContact C-N 3.31Å; A197-H199 PolarHBondContact O-N 3Å; H199-K201 VanDerWaalsContact C-N 3.32Å; H199-Y203 AromaticContact CE1-CD2 3.46Å; H199-Y203 VanDerWaalsContact CE1-CD2 3.46Å; H199-Y203 WeakPolarHBondContact CE1-CD2 3.39Å; H199-Y203 AromaticContact CE1-CE2 3.86Å; H199-Y203 AromaticContact ND1-CD2 3.5Å; H199-Y203 WeakPolarHBondContact ND1-CD2 3.39Å; H199-Y203 AromaticContact ND1-CE2 3.8Å; H199-Y203 WeakPolarHBondContact O-CA 3.49Å; H199-Y203 WeakPolarHBondContact O-CB 3.46Å; H199-Y203 PolarHBondContact O-N 3.3Å; H199-Y206 AromaticContact CD2-CD1 3.83Å; H199-Y206 AromaticContact NE2-CD1 3.52Å; H199-Y206 AromaticContact NE2-CD2 3.61Å; H199-Y206 AromaticContact NE2-CE1 3.7Å; H199-Y206 AromaticContact NE2-CE2 3.78Å; H199-Y206 AromaticContact NE2-CG 3.45Å; H199-Y206 AromaticContact NE2-CZ 3.81Å |
| 200 | M | 96.2 | Very high | 95.8 | Very high | 82 Ų | 82 | 98.5 Ų | 98.5 | 40% | 0.404 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71 | -29.8 | 176.8 | -62.7 | -85.7 | 69.2 | 0 | 0 | 112.4 | R196 A197 V198 Y203 P204 Y206 | R196-M200 HydrophobicContact CG-CG 4.48Å; R196-M200 WeakPolarHBondContact O-CG 3.49Å; R196-M200 PolarHBondContact O-N 2.8Å; A197-M200 PolarHBondContact O-N 2.68Å; V198-M200 VanDerWaalsContact C-N 3.33Å; V198-M200 PolarHBondContact O-N 3.4Å; M200-Y203 CarbonylContact O-C 3.58Å; M200-P204 WeakPolarHBondContact O-CA 3.36Å; M200-Y206 HydrophobicContact CE-CD1 3.96Å; M200-Y206 HydrophobicContact CE-CG 4.46Å |
| 201 | K | 96.3 | Very high | 95.4 | Very high | 182 Ų | 182 | 104.2 Ų | 104.2 | 79% | 0.791 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -74.2 | -44 | 174.6 | -177 | -178.2 | 177.2 | -177 | 0 | 112.1 | A197 V198 H199 | A197-K201 PolarHBondContact O-N 2.76Å; V198-K201 PolarHBondContact O-N 3.19Å; V198-K201 VanDerWaalsContact O-N 3.12Å; H199-K201 VanDerWaalsContact C-N 3.32Å |
| 202 | E | 95.9 | Very high | 95 | Very high | 120 Ų | 120 | 113.8 Ų | 113.8 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74 | -33.4 | -178.7 | -171.1 | 175.1 | -173.1 | 0 | 0 | 111.9 | V198 P204 | V198-E202 WeakPolarHBondContact O-CB 3.34Å; V198-E202 PolarHBondContact O-N 2.96Å; E202-P204 WeakPolarHBondContact O-CD 3.19Å |
| 203 | Y | 94.3 | Very high | 94.4 | Very high | 84 Ų | 84 | 121.4 Ų | 121.4 | 33% | 0.329 | 55% | 0.547 | S | S | . | . | trans | -126.7 | 76.3 | 179.6 | -51.3 | -74.3 | 0 | 0 | 0 | 110.6 | V139 H199 M200 D205 Y206 | V139-Y203 HydrophobicContact CB-CD1 4.49Å; V139-Y203 HydrophobicContact CG1-CD1 3.99Å; V139-Y203 HydrophobicContact CG1-CD2 3.67Å; V139-Y203 HydrophobicContact CG1-CE1 4.22Å; V139-Y203 HydrophobicContact CG1-CE2 3.9Å; V139-Y203 HydrophobicContact CG1-CG 3.69Å; V139-Y203 HydrophobicContact CG2-CD1 3.6Å; V139-Y203 HydrophobicContact CG2-CE1 3.72Å; V139-Y203 HydrophobicContact CG2-CG 4.15Å; H199-Y203 AromaticContact CE1-CD2 3.46Å; H199-Y203 VanDerWaalsContact CE1-CD2 3.46Å; H199-Y203 WeakPolarHBondContact CE1-CD2 3.39Å; H199-Y203 AromaticContact CE1-CE2 3.86Å; H199-Y203 AromaticContact ND1-CD2 3.5Å; H199-Y203 WeakPolarHBondContact ND1-CD2 3.39Å; H199-Y203 AromaticContact ND1-CE2 3.8Å; H199-Y203 WeakPolarHBondContact O-CA 3.49Å; H199-Y203 WeakPolarHBondContact O-CB 3.46Å; H199-Y203 PolarHBondContact O-N 3.3Å; M200-Y203 CarbonylContact O-C 3.58Å; Y203-D205 VanDerWaalsContact C-N 3.27Å; Y203-D205 PolarHBondContact O-N 3.25Å; Y203-Y206 WeakPolarHBondContact O-CB 3.41Å; Y203-Y206 PolarHBondContact O-N 3.36Å | ||
| 204 | P | 93.5 | Very high | 93.7 | Very high | 98 Ų | 98 | 122 Ų | 122 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -33.3 | -179.2 | 24.6 | -33.6 | 0 | 0 | 0 | 112.6 | M200 E202 Y206 | M200-P204 WeakPolarHBondContact O-CA 3.36Å; E202-P204 WeakPolarHBondContact O-CD 3.19Å; P204-Y206 VanDerWaalsContact C-N 3.25Å; P204-Y206 PolarHBondContact O-N 2.88Å |
| 205 | D | 93.4 | Very high | 92.8 | Very high | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 6.1 | 177.1 | -62.6 | -44.1 | 0 | 0 | 0 | 113.6 | Y203 K207 | Y203-D205 VanDerWaalsContact C-N 3.27Å; Y203-D205 PolarHBondContact O-N 3.25Å; D205-K207 PolarHBondContact O-N 3.16Å |
| 206 | Y | 95.6 | Very high | 91.5 | Very high | 53 Ų | 53 | 128.2 Ų | 128.2 | 21% | 0.208 | 60% | 0.597 | C | S | . | * | trans | -63.9 | 112.8 | -180 | -179 | -102.9 | 0 | 0 | 0 | 111.5 | V139 R141 H199 M200 Y203 P204 | V139-Y206 HydrophobicContact CB-CD2 3.81Å; V139-Y206 HydrophobicContact CB-CE2 3.99Å; V139-Y206 HydrophobicContact CG1-CD2 3.44Å; V139-Y206 VanDerWaalsContact CG1-CD2 3.44Å; V139-Y206 HydrophobicContact CG1-CE2 3.72Å; V139-Y206 HydrophobicContact CG1-CG 4.35Å; V139-Y206 WeakPolarHBondContact O-CE2 3.16Å; R141-Y206 WeakPolarHBondContact CG-OH 3.29Å; H199-Y206 AromaticContact CD2-CD1 3.83Å; H199-Y206 AromaticContact NE2-CD1 3.52Å; H199-Y206 AromaticContact NE2-CD2 3.61Å; H199-Y206 AromaticContact NE2-CE1 3.7Å; H199-Y206 AromaticContact NE2-CE2 3.78Å; H199-Y206 AromaticContact NE2-CG 3.45Å; H199-Y206 AromaticContact NE2-CZ 3.81Å; M200-Y206 HydrophobicContact CE-CD1 3.96Å; M200-Y206 HydrophobicContact CE-CG 4.46Å; Y203-Y206 WeakPolarHBondContact O-CB 3.41Å; Y203-Y206 PolarHBondContact O-N 3.36Å; P204-Y206 VanDerWaalsContact C-N 3.25Å; P204-Y206 PolarHBondContact O-N 2.88Å | ||
| 207 | K | 93.4 | Very high | 90 | Very high | 168 Ų | 168 | 128 Ų | 128 | 73% | 0.73 | 61% | 0.608 | S | S | * | * | trans | -118.8 | 124.6 | 174.4 | -169.7 | 168.4 | -175.3 | 169.8 | 0 | 111.6 | D205 R209 | D205-K207 PolarHBondContact O-N 3.16Å; K207-R209 HydrophobicContact CG-CG 4.44Å; K207-R209 PolarHBondContact O-N 2.91Å | ||
| 208 | Y | 95 | Very high | 88.4 | Confident | 115 Ų | 115 | 132 Ų | 132 | 45% | 0.451 | 62% | 0.619 | S | S | . | * | trans | -69.6 | 114.4 | 174.2 | 176.3 | -133.7 | 0 | 0 | 0 | 111.3 | R141 P210 | R141-Y208 PolarHBondContact NH1-OH 3.21Å; R141-Y208 VanDerWaalsContact NH1-OH 3.13Å; R141-Y208 PolarHBondContact NH2-OH 2.89Å; Y208-P210 HydrophobicContact CD1-CG 4.3Å; Y208-P210 HydrophobicContact CE1-CB 4.5Å; Y208-P210 HydrophobicContact CE1-CG 3.63Å; Y208-P210 HydrophobicContact CE2-CB 4.3Å; Y208-P210 HydrophobicContact CE2-CG 4.04Å; Y208-P210 VanDerWaalsContact CZ-CG 3.48Å | ||
| 209 | R | 92 | Very high | 86.5 | Confident | 198 Ų | 198 | 137.4 Ų | 137.4 | 75% | 0.747 | 64% | 0.637 | S | S | * | * | trans | -118.9 | 94.7 | 176.8 | -62.4 | 176.6 | 78.4 | -170 | 5 | 110.2 | K207 R211 | K207-R209 HydrophobicContact CG-CG 4.44Å; K207-R209 PolarHBondContact O-N 2.91Å; R209-R211 PolarHBondContact O-N 2.97Å | ||
| 210 | P | 92.2 | Very high | 84.6 | Confident | 81 Ų | 81 | 144.5 Ų | 144.5 | 53% | 0.526 | 67% | 0.668 | S | S | . | * | trans | -59.3 | 128.8 | 172.5 | -8.1 | 13.3 | 0 | 0 | 0 | 110.6 | Y208 R212 | Y208-P210 HydrophobicContact CD1-CG 4.3Å; Y208-P210 HydrophobicContact CE1-CB 4.5Å; Y208-P210 HydrophobicContact CE1-CG 3.63Å; Y208-P210 HydrophobicContact CE2-CB 4.3Å; Y208-P210 HydrophobicContact CE2-CG 4.04Å; Y208-P210 VanDerWaalsContact CZ-CG 3.48Å; P210-R212 PolarHBondContact O-N 3.38Å | ||
| 211 | R | 90.3 | Very high | 82.6 | Confident | 203 Ų | 203 | 148.2 Ų | 148.2 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | trans | -82.1 | 109.8 | 176.1 | -171.3 | 168 | -172.9 | -93.8 | 0.4 | 109.5 | R209 | R209-R211 PolarHBondContact O-N 2.97Š| ||
| 212 | R | 88.3 | Confident | 80.5 | Confident | 239 Ų | 239 | 148.6 Ų | 148.6 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | trans | -71.5 | 128.7 | 170.8 | -61.2 | -179.3 | 80.1 | -175.1 | 4.9 | 108.5 | P210 | P210-R212 PolarHBondContact O-N 3.38Š| ||
| 213 | K | 85.4 | Confident | 78.1 | Confident | 172 Ų | 172 | 152.5 Ų | 152.5 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -95.9 | 131.2 | 165.9 | -64.3 | -174.6 | 180 | -176.2 | 0 | 107.3 | K215 | K213-K215 PolarHBondContact O-N 3.26Š| ||
| 214 | T | 82.9 | Confident | 76.1 | Confident | 137 Ų | 137 | 154.1 Ų | 154.1 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -65.4 | 104.7 | 171.5 | 37.2 | 0 | 0 | 0 | 0 | 108.3 | T216 | T214-T216 PolarHBondContact O-N 2.85Å; T214-T216 VanDerWaalsContact O-N 3.17Å | ||
| 215 | K | 78.3 | Confident | 73.9 | Confident | 201 Ų | 201 | 156.8 Ų | 156.8 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | -74.3 | 101.3 | 166.7 | -77.7 | -174.3 | 150.4 | -172.8 | 0 | 106.7 | K213 L217 | K213-K215 PolarHBondContact O-N 3.26Å; K215-L217 PolarHBondContact O-N 3.34Å | ||
| 216 | T | 71.1 | Confident | 71.8 | Confident | 93 Ų | 93 | 155.3 Ų | 155.3 | 57% | 0.571 | 73% | 0.733 | S | S | * | * | trans | -66.4 | 102.2 | 170 | 57.2 | 0 | 0 | 0 | 0 | 107.7 | T214 L218 | T214-T216 PolarHBondContact O-N 2.85Å; T214-T216 VanDerWaalsContact O-N 3.17Å; T216-L218 PolarHBondContact O-N 3.12Å; T216-L218 VanDerWaalsContact O-N 3.09Å | ||
| 217 | L | 66.1 | Low | 69.4 | Low | 163 Ų | 163 | 157.9 Ų | 157.9 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -69 | 2.4 | -180 | -167 | 137.3 | 0 | 0 | 0 | 113 | K215 | K215-L217 PolarHBondContact O-N 3.34Š| ||
| 218 | L | 62.5 | Low | 67.6 | Low | 147 Ų | 147 | 153.1 Ų | 153.1 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -100.9 | 29.5 | -166.7 | -59.8 | 165.9 | 0 | 0 | 0 | 115.1 | T216 | T216-L218 PolarHBondContact O-N 3.12Å; T216-L218 VanDerWaalsContact O-N 3.09Å | ||
| 219 | K | 56.7 | Low | 65.7 | Low | 175 Ų | 175 | 155.7 Ų | 155.7 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -131.1 | 38.7 | 173.8 | -82.8 | 103.8 | 173.4 | -179.9 | 0 | 113.3 | ||||
| 220 | K | 56.5 | Low | 63.7 | Low | 167 Ų | 167 | 153.6 Ų | 153.6 | 73% | 0.726 | 78% | 0.78 | S | S | * | * | trans | -131.4 | 51.8 | 167.8 | -156.8 | 170.4 | 178.7 | 177.8 | 0 | 112.8 | ||||
| 221 | D | 54.2 | Low | 61.9 | Low | 160 Ų | 160 | 154.7 Ų | 154.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -117.7 | 22.8 | 160 | -62.2 | -44.4 | 0 | 0 | 0 | 111.6 | ||
| 222 | K | 52.7 | Low | 59.9 | Low | 191 Ų | 191 | 151.8 Ų | 151.8 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -121 | 40.3 | 175.8 | -147.5 | 121.5 | 170.3 | -78.1 | 0 | 111.1 | ||||
| 223 | Y | 46.7 | Very low | 58.3 | Low | 202 Ų | 202 | 143.1 Ų | 143.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -122.9 | 98.2 | 152.4 | -84.2 | -82.3 | 0 | 0 | 0 | 107.2 | L225 | Y223-L225 PolarHBondContact O-N 3.02Š|
| 224 | S | 52 | Low | 56.8 | Low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -38.1 | 116.6 | 161.9 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 225 | L | 45.8 | Very low | 55.3 | Low | 153 Ų | 153 | 136.1 Ų | 136.1 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -101.2 | 134.8 | 152.1 | -78.5 | 169.9 | 0 | 0 | 0 | 106.4 | Y223 S227 | Y223-L225 PolarHBondContact O-N 3.02Å; L225-S227 PolarHBondContact O-N 3.26Å | ||
| 226 | P | 49.5 | Very low | 54 | Low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -75.2 | 81.1 | 178.4 | 32.4 | -31.8 | 0 | 0 | 0 | 108.7 | G228 | P226-G228 VanDerWaalsContact C-N 3.33Å; P226-G228 PolarHBondContact O-N 3.37Å; P226-G228 VanDerWaalsContact O-N 3.15Å | ||
| 227 | S | 46.3 | Very low | 53 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -85.6 | 78.2 | 174.9 | -166.2 | 0 | 0 | 0 | 0 | 109.2 | L225 | L225-S227 PolarHBondContact O-N 3.26Š| ||
| 228 | G | 55.6 | Low | 52.4 | Low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -119.3 | 23 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | P226 | P226-G228 VanDerWaalsContact C-N 3.33Å; P226-G228 PolarHBondContact O-N 3.37Å; P226-G228 VanDerWaalsContact O-N 3.15Å | ||
| 229 | L | 55.4 | Low | 51.9 | Low | 169 Ų | 169 | 120.7 Ų | 120.7 | 89% | 0.885 | 73% | 0.732 | S | S | * | * | trans | -136.4 | 47.5 | -177 | -71 | 175.9 | 0 | 0 | 0 | 114.1 | ||||
| 230 | L | 49 | Very low | 51.6 | Low | 154 Ų | 154 | 115.4 Ų | 115.4 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | trans | -131 | 126.9 | 165.6 | -75.6 | 163.5 | 0 | 0 | 0 | 110.6 | ||||
| 231 | P | 55.3 | Low | 51.3 | Low | 105 Ų | 105 | 110.7 Ų | 110.7 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | trans | -70.9 | 148 | -176.3 | 27.3 | -32.7 | 0 | 0 | 0 | 112.1 | G233 | P231-G233 PolarHBondContact O-N 2.96Å; P231-G233 VanDerWaalsContact O-N 3.09Å | ||
| 232 | P | 47.8 | Very low | 51.2 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 105.9 | -175.7 | 29.7 | -32.3 | 0 | 0 | 0 | 110 | ||
| 233 | G | 54.2 | Low | 51 | Low | 58 Ų | 58 | 100.4 Ų | 100.4 | 60% | 0.598 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.8 | -28 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P231 | P231-G233 PolarHBondContact O-N 2.96Å; P231-G233 VanDerWaalsContact O-N 3.09Å |
| 234 | A | 53.8 | Low | 51 | Low | 77 Ų | 77 | 94.3 Ų | 94.3 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -82.8 | -16.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 235 | A | 51.7 | Low | 50.9 | Low | 85 Ų | 85 | 92.2 Ų | 92.2 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.7 | -30.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | A239 | A235-A239 PolarHBondContact O-N 3.43Å |
| 236 | A | 51 | Low | 50.9 | Low | 77 Ų | 77 | 88.5 Ų | 88.5 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.4 | -33.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A240 | A236-A240 PolarHBondContact O-N 3.36Å |
| 237 | A | 50.5 | Low | 50.6 | Low | 70 Ų | 70 | 87 Ų | 87 | 58% | 0.579 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.2 | -35.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A241 | A237-A241 PolarHBondContact O-N 2.9Å |
| 238 | A | 52.4 | Low | 50.6 | Low | 67 Ų | 67 | 86.3 Ų | 86.3 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.7 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A242 | A238-A242 PolarHBondContact O-N 2.92Å |
| 239 | A | 52.3 | Low | 50.1 | Low | 65 Ų | 65 | 87.5 Ų | 87.5 | 54% | 0.537 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -69.5 | -36.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A235 A242 A243 | A235-A239 PolarHBondContact O-N 3.43Å; A239-A242 PolarHBondContact O-N 3.42Å; A239-A243 PolarHBondContact O-N 3.47Å |
| 240 | A | 50.9 | Low | 49.4 | Very low | 64 Ų | 64 | 85.2 Ų | 85.2 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A236 A243 A244 | A236-A240 PolarHBondContact O-N 3.36Å; A240-A243 PolarHBondContact O-N 3.49Å; A240-A244 PolarHBondContact O-N 3.34Å |
| 241 | A | 50.2 | Low | 49.4 | Very low | 69 Ų | 69 | 83.8 Ų | 83.8 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.5 | -33.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A237 | A237-A241 PolarHBondContact O-N 2.9Å |
| 242 | A | 52.6 | Low | 48.4 | Very low | 69 Ų | 69 | 86.1 Ų | 86.1 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.8 | -32.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A238 A239 | A238-A242 PolarHBondContact O-N 2.92Å; A239-A242 PolarHBondContact O-N 3.42Å |
| 243 | A | 48 | Very low | 47.7 | Very low | 66 Ų | 66 | 83 Ų | 83 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.2 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | A239 A240 A245 A246 | A239-A243 PolarHBondContact O-N 3.47Å; A240-A243 PolarHBondContact O-N 3.49Å; A243-A245 VanDerWaalsContact C-N 3.3Å; A243-A245 PolarHBondContact O-N 3.06Å; A243-A246 PolarHBondContact O-N 3.13Å |
| 244 | A | 46.6 | Very low | 47 | Very low | 73 Ų | 73 | 87.6 Ų | 87.6 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.4 | -28.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A240 A246 | A240-A244 PolarHBondContact O-N 3.34Å; A244-A246 VanDerWaalsContact C-N 3.33Å |
| 245 | A | 49.2 | Very low | 46.4 | Very low | 75 Ų | 75 | 87 Ų | 87 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.8 | -21 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A243 | A243-A245 VanDerWaalsContact C-N 3.3Å; A243-A245 PolarHBondContact O-N 3.06Å |
| 246 | A | 46.9 | Very low | 45.8 | Very low | 75 Ų | 75 | 92 Ų | 92 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -85.9 | -18.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A243 A244 A248 | A243-A246 PolarHBondContact O-N 3.13Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.89Å |
| 247 | A | 42.7 | Very low | 45.2 | Very low | 94 Ų | 94 | 99.7 Ų | 99.7 | 78% | 0.777 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -3.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 248 | A | 47.1 | Very low | 44.5 | Very low | 92 Ų | 92 | 103.5 Ų | 103.5 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 9.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A246 | A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.89Å |
| 249 | S | 45.5 | Very low | 43.8 | Very low | 93 Ų | 93 | 107.9 Ų | 107.9 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -128.7 | 96.8 | 178.8 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 250 | S | 38.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 110.5 Ų | 110.5 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -66.9 | 149.3 | 160.5 | -79 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 251 | P | 49.8 | Very low | 43 | Very low | 123 Ų | 123 | 117 Ų | 117 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -99.9 | 105.7 | -171.6 | 35.4 | -27.5 | 0 | 0 | 0 | 112.1 | ||||
| 252 | V | 33.9 | Very low | 42.8 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 93% | 0.933 | 75% | 0.745 | S | S | * | * | trans | -149.9 | 128.9 | 158.1 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 253 | G | 34.6 | Very low | 42.8 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | 127.4 | 110.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 254 | V | 37.8 | Very low | 42.7 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -75.6 | 135.9 | 175.1 | 178 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 255 | G | 41.3 | Very low | 42.7 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | 97.9 | 139.1 | 154 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 256 | Q | 40.4 | Very low | 42.6 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | 85.2 | 82 | 170 | -47.9 | -67.2 | 29.9 | 0 | 0 | 117.7 | ||||
| 257 | R | 37.3 | Very low | 42.1 | Very low | 238 Ų | 238 | 137.6 Ų | 137.6 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -99.7 | 98.4 | 149.3 | -94.7 | -83.6 | 176.4 | 170.8 | -3 | 108 | ||||
| 258 | L | 37.3 | Very low | 42.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 122.4 | 165.7 | -175.3 | 65.3 | 0 | 0 | 0 | 108.5 | T260 | L258-T260 VanDerWaalsContact C-N 3.31Å; L258-T260 PolarHBondContact O-N 3.18Å | ||
| 259 | D | 37.8 | Very low | 41.9 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -67.8 | 84.5 | 175.4 | -71.3 | -61 | 0 | 0 | 0 | 110.6 | Y261 | D259-Y261 VanDerWaalsContact C-N 3.27Å; D259-Y261 PolarHBondContact O-N 3.12Å | ||
| 260 | T | 49.3 | Very low | 42 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | -74.3 | 84.2 | 159.2 | -61.3 | 0 | 0 | 0 | 0 | 108.3 | L258 | L258-T260 VanDerWaalsContact C-N 3.31Å; L258-T260 PolarHBondContact O-N 3.18Å | ||
| 261 | Y | 36.3 | Very low | 42.2 | Very low | 202 Ų | 202 | 139 Ų | 139 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -149.2 | 85.8 | 151 | -140.4 | -94 | 0 | 0 | 0 | 111.2 | D259 V264 | D259-Y261 VanDerWaalsContact C-N 3.27Å; D259-Y261 PolarHBondContact O-N 3.12Å; Y261-V264 HydrophobicContact CE1-CG2 4.48Å | ||
| 262 | T | 46.2 | Very low | 41.7 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 58% | 0.583 | 81% | 0.807 | S | S | * | * | trans | -58.9 | 124.5 | 160.2 | 44.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 263 | H | 53.1 | Low | 42.5 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 44.9 | 94.9 | 131.7 | -35.4 | -56.4 | 0 | 0 | 0 | 118.5 | ||||
| 264 | V | 45.4 | Very low | 43.4 | Very low | 114 Ų | 114 | 146 Ų | 146 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -131.1 | 93.3 | 148.5 | -71.7 | 0 | 0 | 0 | 0 | 109.2 | Y261 | Y261-V264 HydrophobicContact CE1-CG2 4.48Š|
| 265 | N | 45.4 | Very low | 44 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 152 | 103.3 | 150.1 | -78.2 | 0 | 0 | 0 | 0 | 108.9 | W267 | N265-W267 PolarHBondContact O-N 3.11Š|
| 266 | G | 47.3 | Very low | 44.1 | Very low | 74 Ų | 74 | 150.1 Ų | 150.1 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -62.8 | 120.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 267 | W | 37.9 | Very low | 44.3 | Very low | 243 Ų | 243 | 150 Ų | 150 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | -130.4 | 100.9 | 146.3 | -78.6 | -22.1 | 0 | 0 | 0 | 107.4 | N265 N269 | N265-W267 PolarHBondContact O-N 3.11Å; W267-N269 PolarHBondContact O-N 3.29Å | ||
| 268 | A | 41.7 | Very low | 44.4 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -65.1 | 114.9 | 166 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 269 | N | 44.1 | Very low | 44.5 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -134 | 104.4 | 157.2 | -83.9 | -78.5 | 0 | 0 | 0 | 106.4 | W267 | W267-N269 PolarHBondContact O-N 3.29Š| ||
| 270 | G | 47.5 | Very low | 44.2 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 170.8 | 12.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y272 | G270-Y272 VanDerWaalsContact C-N 3.33Å; G270-Y272 PolarHBondContact O-N 3.41Å | ||
| 271 | A | 41.9 | Very low | 43.6 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -87.2 | 16.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 272 | Y | 39.8 | Very low | 43.7 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -129.9 | 75.8 | 173.5 | -89.6 | -86.6 | 0 | 0 | 0 | 110.5 | G270 V275 | G270-Y272 VanDerWaalsContact C-N 3.33Å; G270-Y272 PolarHBondContact O-N 3.41Å; Y272-V275 HydrophobicContact CD1-CG2 3.81Å; Y272-V275 HydrophobicContact CE1-CG2 4.1Å | ||
| 273 | S | 50.1 | Low | 43.2 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -142.5 | -1.6 | 162 | -128.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 274 | L | 54 | Low | 42.7 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -105 | 7.9 | -176.4 | -145.2 | 93 | 0 | 0 | 0 | 114.4 | ||
| 275 | V | 49.8 | Very low | 42.6 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 70% | 0.703 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -103.8 | 7.9 | -177.6 | -113 | 0 | 0 | 0 | 0 | 113.9 | Y272 | Y272-V275 HydrophobicContact CD1-CG2 3.81Å; Y272-V275 HydrophobicContact CE1-CG2 4.1Å |
| 276 | Q | 43.3 | Very low | 42.1 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -112.3 | 39.2 | -176.1 | -156 | 172.7 | 1.3 | 0 | 0 | 113.5 | ||
| 277 | E | 44.4 | Very low | 41.8 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -146.8 | 55.3 | 170.7 | -155.6 | 168.8 | -180 | 0 | 0 | 112.7 | ||
| 278 | Q | 40.7 | Very low | 42.1 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -148.8 | 46.9 | 169.1 | -149.7 | -174.3 | -43.6 | 0 | 0 | 114 | ||||
| 279 | L | 38.6 | Very low | 42 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -138.2 | 82.6 | 163.6 | -71.5 | 175.4 | 0 | 0 | 0 | 109.6 | ||||
| 280 | G | 31.2 | Very low | 42.4 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 116.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 281 | Y | 37 | Very low | 42.9 | Very low | 220 Ų | 220 | 142.8 Ų | 142.8 | 86% | 0.863 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 125.6 | 160.1 | -99.8 | -85.8 | 0 | 0 | 0 | 108.8 | ||
| 282 | A | 38.8 | Very low | 43.9 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 143.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 283 | Q | 36.2 | Very low | 44.9 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -134.9 | 140.9 | 164.2 | -75 | -63.7 | -52.9 | 0 | 0 | 109.9 | ||||
| 284 | P | 40.9 | Very low | 45.1 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 167.7 | -172.2 | 34.7 | -35.5 | 0 | 0 | 0 | 113.6 | ||||
| 285 | P | 44.8 | Very low | 44.4 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -98 | 140.3 | -166.6 | 36 | -29.1 | 0 | 0 | 0 | 113.1 | ||||
| 286 | S | 33.4 | Very low | 44.3 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -164.4 | 119.1 | 141.8 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 287 | M | 42.2 | Very low | 44.8 | Very low | 171 Ų | 171 | 135 Ų | 135 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | 79.8 | 122.2 | 138.5 | -58.8 | -67.9 | 101.6 | 0 | 0 | 121.3 | ||||
| 288 | S | 43.6 | Very low | 45.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 88.2 | 91.9 | 146.9 | 66.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 289 | S | 39.6 | Very low | 45.1 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -160.3 | 153.4 | 144.8 | -91.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 290 | P | 52.8 | Low | 45.4 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 168.6 | -150.4 | 33.3 | -35.5 | 0 | 0 | 0 | 115.2 | ||
| 291 | P | 58.2 | Low | 45.8 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 150 | -162.2 | 32.5 | -35.2 | 0 | 0 | 0 | 114.2 | ||
| 292 | P | 62.6 | Low | 46.1 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 156.9 | 172.2 | 34.1 | -33.2 | 0 | 0 | 0 | 113.1 | ||
| 293 | P | 61.2 | Low | 46.4 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 162.5 | 177.6 | 30.6 | -34.5 | 0 | 0 | 0 | 113.7 | ||
| 294 | P | 53.3 | Low | 47 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80 | 155.2 | -162.2 | 31.7 | -34.6 | 0 | 0 | 0 | 115.3 | ||
| 295 | A | 40.4 | Very low | 47.4 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 146.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 296 | L | 47.8 | Very low | 47.7 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -115.1 | 151.2 | 160.4 | -74.5 | 176.3 | 0 | 0 | 0 | 109.4 | ||||
| 297 | P | 52.7 | Low | 48.1 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -72 | 152.2 | -158.5 | 27.3 | -35.1 | 0 | 0 | 0 | 114.9 | M299 | P297-M299 PolarHBondContact O-N 3.28Š| ||
| 298 | P | 50.5 | Low | 48 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 116 | -175.5 | 29.1 | -32.8 | 0 | 0 | 0 | 111.6 | ||||
| 299 | M | 41.8 | Very low | 47.4 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 143.4 | 165.2 | -86.6 | -76.2 | 140.2 | 0 | 0 | 110.7 | P297 | P297-M299 PolarHBondContact O-N 3.28Š|
| 300 | H | 44.8 | Very low | 47.6 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 137.4 | -161.2 | -62.2 | -87.6 | 0 | 0 | 0 | 116.4 | Y302 | H300-Y302 PolarHBondContact O-N 3.39Š|
| 301 | R | 38.6 | Very low | 47.7 | Very low | 251 Ų | 251 | 144.3 Ų | 144.3 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 124.8 | 156.2 | -96.4 | -168.8 | -178.5 | 163.7 | 0 | 108.9 | ||
| 302 | Y | 44.3 | Very low | 46.7 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 123.1 | 166.5 | -113 | -88.8 | 0 | 0 | 0 | 109.9 | H300 M304 | H300-Y302 PolarHBondContact O-N 3.39Å; Y302-M304 HydrophobicContact CD1-CE 4.23Å; Y302-M304 HydrophobicContact CG-CE 4.35Å |
| 303 | D | 44.4 | Very low | 46.4 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 131.9 | 165.8 | -177 | 4 | 0 | 0 | 0 | 109 | A305 | D303-A305 PolarHBondContact OD1-N 3.03Š|
| 304 | M | 49.1 | Very low | 46.1 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 77% | 0.768 | 80% | 0.803 | S | S | * | * | trans | -100.1 | 14.5 | -173.3 | -48.4 | -85.5 | 89.6 | 0 | 0 | 112.5 | Y302 G306 | Y302-M304 HydrophobicContact CD1-CE 4.23Å; Y302-M304 HydrophobicContact CG-CE 4.35Å; M304-G306 PolarHBondContact O-N 3.18Å | ||
| 305 | A | 48.8 | Very low | 46 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -99.6 | 66.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D303 | D303-A305 PolarHBondContact OD1-N 3.03Š| ||
| 306 | G | 51.7 | Low | 46.8 | Very low | 63 Ų | 63 | 148.5 Ų | 148.5 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | trans | -156.1 | 9.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | M304 | M304-G306 PolarHBondContact O-N 3.18Š| ||
| 307 | L | 42 | Very low | 47 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -125.9 | 80.2 | 173 | -70 | 175.6 | 0 | 0 | 0 | 111.4 | Y309 | L307-Y309 PolarHBondContact O-N 3.36Š| ||
| 308 | Q | 39.9 | Very low | 46.5 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -68 | 112.5 | 154.4 | -73.3 | -172.4 | -21.2 | 0 | 0 | 108.3 | ||||
| 309 | Y | 32 | Very low | 46.6 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -90.7 | 108.1 | 167.8 | -146.1 | -90.2 | 0 | 0 | 0 | 108.1 | L307 | L307-Y309 PolarHBondContact O-N 3.36Š| ||
| 310 | S | 43.1 | Very low | 47 | Very low | 96 Ų | 96 | 150.5 Ų | 150.5 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -64.9 | 142.8 | 168.1 | -75 | 0 | 0 | 0 | 0 | 110.7 | M312 | S310-M312 PolarHBondContact O-N 3.36Š| ||
| 311 | P | 53.9 | Low | 47.5 | Very low | 126 Ų | 126 | 152 Ų | 152 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -80.5 | 108.6 | -177.3 | 31.3 | -30.4 | 0 | 0 | 0 | 110.1 | ||||
| 312 | M | 38.2 | Very low | 48.1 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -101.1 | 90.8 | 164.9 | -167.9 | -179.2 | 155.9 | 0 | 0 | 108.3 | S310 | S310-M312 PolarHBondContact O-N 3.36Š| ||
| 313 | M | 56.4 | Low | 48.2 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -115.5 | 140.6 | 161 | -84.5 | -152.8 | 75 | 0 | 0 | 109.9 | ||||
| 314 | P | 54.1 | Low | 48.4 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | trans | -72.1 | 151.7 | 174.5 | -11.7 | 27 | 0 | 0 | 0 | 112.6 | G316 | P314-G316 PolarHBondContact O-N 3.28Š| ||
| 315 | P | 51.2 | Low | 48.1 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -82.6 | 116.2 | 178.8 | 32.1 | -28.9 | 0 | 0 | 0 | 110.1 | ||
| 316 | G | 56.8 | Low | 47.8 | Very low | 79 Ų | 79 | 138.6 Ų | 138.6 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 168.8 | 0.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | P314 | P314-G316 PolarHBondContact O-N 3.28Š| ||
| 317 | A | 51.8 | Low | 47.3 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -129.6 | 29 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 318 | Q | 43.8 | Very low | 47.2 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -123.8 | 9.4 | -179.2 | -66.9 | -64.2 | -16.8 | 0 | 0 | 116 | ||||
| 319 | S | 52.5 | Low | 47.3 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -98.9 | 10.3 | -174.6 | -66.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 320 | Y | 50.1 | Low | 47.5 | Very low | 236 Ų | 236 | 126.2 Ų | 126.2 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -108.6 | -1 | -176 | -101.2 | -86.8 | 0 | 0 | 0 | 116.9 | ||
| 321 | M | 54.2 | Low | 47.2 | Very low | 193 Ų | 193 | 127.6 Ų | 127.6 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -115.9 | 11.3 | 179.7 | -79 | -122 | -148.4 | 0 | 0 | 114.9 | ||
| 322 | N | 52.5 | Low | 46.2 | Very low | 136 Ų | 136 | 125 Ų | 125 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -133.3 | 26.6 | -177.1 | -149.5 | -11.4 | 0 | 0 | 0 | 115.4 | ||
| 323 | V | 46.7 | Very low | 46 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -114 | -9.8 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | A325 | V323-A325 PolarHBondContact O-N 2.84Š|
| 324 | A | 46.8 | Very low | 44.8 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 0.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 325 | A | 44.4 | Very low | 43.6 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 4.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V323 | V323-A325 PolarHBondContact O-N 2.84Š|
| 326 | A | 42.7 | Very low | 42.8 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -135 | 35.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 327 | A | 39.7 | Very low | 41.8 | Very low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -134.6 | 45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 328 | A | 39.8 | Very low | 41.9 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -125.6 | 17.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 329 | A | 43.7 | Very low | 41.5 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -143.8 | 135.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 330 | A | 36.1 | Very low | 40.6 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | 78.9 | 94.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 331 | S | 35.6 | Very low | 39.9 | Very low | 124 Ų | 124 | 118.6 Ų | 118.6 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | 173 | 107.7 | 108.1 | -72.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 332 | G | 32.4 | Very low | 38.8 | Very low | 71 Ų | 71 | 113.9 Ų | 113.9 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -83 | 140.2 | 156 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 333 | Y | 35.3 | Very low | 37.8 | Very low | 242 Ų | 242 | 111.7 Ų | 111.7 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | -178.4 | 134.8 | 141.4 | -118.4 | -87.8 | 0 | 0 | 0 | 109.8 | ||||
| 334 | G | 30.5 | Very low | 37 | Very low | 77 Ų | 77 | 110.8 Ų | 110.8 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 33.8 | 128.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 335 | G | 30 | Very low | 36.3 | Very low | 73 Ų | 73 | 110.3 Ų | 110.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | 115.1 | 110.6 | 37.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 336 | M | 33.4 | Very low | 35.6 | Very low | 194 Ų | 194 | 110.8 Ų | 110.8 | 96% | 0.956 | 82% | 0.817 | S | S | * | * | trans | 175.1 | 122.3 | 137.4 | -130.5 | 70.4 | 177.5 | 0 | 0 | 110.1 | ||||
| 337 | A | 35.5 | Very low | 35.1 | Very low | 90 Ų | 90 | 110.4 Ų | 110.4 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -84.2 | -177.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 338 | P | 54.5 | Low | 34.8 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | cis | -138.8 | -174.8 | 42.8 | 41.1 | -19.1 | 0 | 0 | 0 | 113.2 | ||||
| 339 | S | 35 | Very low | 34.5 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | cis | -165.6 | 158.8 | 23.1 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 340 | A | 34.6 | Very low | 33.9 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 62.9 | 123.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 341 | T | 35.1 | Very low | 33.5 | Very low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | -154 | 149.1 | 57.6 | -38.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 342 | A | 31.1 | Very low | 34.1 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -60.5 | 167.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 343 | A | 30.3 | Very low | 34.3 | Very low | 91 Ų | 91 | 122.5 Ų | 122.5 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | cis | -164.1 | 151.7 | 25.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 344 | A | 29.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 51.2 | 113.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 345 | A | 32.1 | Very low | 34.1 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | -176.5 | 116.2 | 109.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 346 | A | 30.2 | Very low | 34 | Very low | 103 Ų | 103 | 120 Ų | 120 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -67.7 | 164.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 347 | A | 32.4 | Very low | 33.9 | Very low | 84 Ų | 84 | 115.8 Ų | 115.8 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | cis | -162.7 | 163.2 | 9.2 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 348 | Y | 34 | Very low | 33.5 | Very low | 235 Ų | 235 | 116.3 Ų | 116.3 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | 172.1 | 138.5 | 56.4 | -154.6 | -95.8 | 0 | 0 | 0 | 106.3 | |||||
| 349 | G | 32.1 | Very low | 32.2 | Very low | 73 Ų | 73 | 115 Ų | 115 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 103.2 | 94.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 350 | Q | 31 | Very low | 31.8 | Very low | 180 Ų | 180 | 114.3 Ų | 114.3 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -63.5 | 139.3 | 153.3 | -74.5 | -114.8 | 67.8 | 0 | 0 | 111.9 | ||||
| 351 | Q | 27.8 | Very low | 31.5 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | 54.7 | 158.2 | 86.4 | -75.7 | -77.4 | -14.5 | 0 | 0 | 114.8 | |||||
| 352 | P | 49.9 | Very low | 31.3 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | cis | -141.5 | -173.5 | -0.9 | 25.5 | 1.8 | 0 | 0 | 0 | 116.7 | ||||
| 353 | A | 34.8 | Very low | 31.3 | Very low | 88 Ų | 88 | 113 Ų | 113 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -58.4 | 162.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 354 | T | 32.1 | Very low | 31.4 | Very low | 142 Ų | 142 | 112.6 Ų | 112.6 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -150 | 132 | 137.5 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 355 | A | 30.6 | Very low | 31.7 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 42.4 | 116.6 | 139.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 356 | A | 28.6 | Very low | 31.9 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | 40.6 | 118.2 | 120.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 357 | A | 30.8 | Very low | 32.2 | Very low | 104 Ų | 104 | 119 Ų | 119 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -165.5 | 133 | 132.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 358 | A | 27.7 | Very low | 32.4 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -77.6 | 145.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 359 | A | 27.2 | Very low | 33.6 | Very low | 96 Ų | 96 | 113 Ų | 113 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | 164.1 | 129.2 | 131 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 360 | A | 26.8 | Very low | 33.9 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | 67.2 | 134 | 134.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 361 | A | 27.8 | Very low | 34.1 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | 79.9 | 108.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 362 | A | 31.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 111.4 Ų | 111.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -143.3 | 112.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 363 | A | 30 | Very low | 33.9 | Very low | 95 Ų | 95 | 112 Ų | 112 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -93 | 153.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 364 | A | 31.7 | Very low | 34 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | trans | 64 | 153.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 365 | M | 37.8 | Very low | 34.2 | Very low | 174 Ų | 174 | 117 Ų | 117 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | cis | -155.2 | 141 | 31.8 | -32.4 | -145.6 | 80 | 0 | 0 | 108.4 | ||||
| 366 | S | 35.2 | Very low | 34.6 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | 86.3 | 112.6 | 97.7 | -173.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 367 | L | 37 | Very low | 35.1 | Very low | 171 Ų | 171 | 120.3 Ų | 120.3 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | 43.9 | 124.6 | 133.5 | -54.3 | 166.9 | 0 | 0 | 0 | 118.7 | ||||
| 368 | G | 35.9 | Very low | 36.1 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | 155 | -177.1 | 69.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 369 | P | 60.4 | Low | 36.8 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -114.7 | 175.8 | -131.4 | 40.7 | -32.8 | 0 | 0 | 0 | 115.4 | ||||
| 370 | M | 37.5 | Very low | 37.4 | Very low | 188 Ų | 188 | 121.9 Ų | 121.9 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -175.6 | 131.2 | 139.7 | -81.1 | -33 | -150.2 | 0 | 0 | 114.5 | ||||
| 371 | G | 34.2 | Very low | 38.4 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 79.4 | 142.7 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 372 | S | 36 | Very low | 39.2 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | cis | -175.3 | 130.7 | 9 | 159 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 373 | V | 38.8 | Very low | 39.8 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 53.4 | 115 | 141.2 | -174.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 374 | V | 37.6 | Very low | 40.1 | Very low | 145 Ų | 145 | 124 Ų | 124 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | -161 | 156.4 | 120.8 | 140.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 375 | K | 35.6 | Very low | 40.4 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -96.5 | 150.9 | -143.8 | -173.7 | 164.3 | 170.3 | 168.7 | 0 | 113 | ||||
| 376 | S | 39.2 | Very low | 40.5 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -42.3 | 146.6 | 179.7 | 36.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 377 | E | 39 | Very low | 40.8 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -56.1 | 160.1 | 166.7 | -167.2 | -175.3 | 127.7 | 0 | 0 | 114.8 | ||||
| 378 | P | 51.8 | Low | 41.4 | Very low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -126.3 | 136.1 | 131 | 35.7 | -27.2 | 0 | 0 | 0 | 113.8 | ||||
| 379 | S | 41.8 | Very low | 41.6 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -64 | 139.6 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 380 | S | 39.2 | Very low | 40.7 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -178.8 | 158 | 141.3 | -86.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 381 | P | 48.6 | Very low | 41 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | -92 | 166.6 | -124.3 | 37 | -38.6 | 0 | 0 | 0 | 116 | |||
| 382 | P | 45.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -78 | 145.6 | -177.8 | 32.2 | -33.6 | 0 | 0 | 0 | 112 | ||
| 383 | P | 43 | Very low | 41.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 135.9 | 163.7 | 29.6 | -31.2 | 0 | 0 | 0 | 109 | I385 | P383-I385 PolarHBondContact O-N 3.15Š|
| 384 | A | 36.8 | Very low | 42.2 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -48.2 | 114.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | A386 | A384-A386 VanDerWaalsContact C-N 3.27Å; A384-A386 PolarHBondContact O-N 3.33Å | ||
| 385 | I | 38.1 | Very low | 43 | Very low | 140 Ų | 140 | 124 Ų | 124 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -68 | 93.5 | 166.7 | -21.3 | 175.6 | 0 | 0 | 0 | 105.4 | P383 S387 | P383-I385 PolarHBondContact O-N 3.15Å; I385-S387 PolarHBondContact O-N 3.39Å; I385-S387 VanDerWaalsContact O-N 3.17Å | ||
| 386 | A | 40.2 | Very low | 44.2 | Very low | 84 Ų | 84 | 118.7 Ų | 118.7 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | -54.4 | 122 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | A384 H388 | A384-A386 VanDerWaalsContact C-N 3.27Å; A384-A386 PolarHBondContact O-N 3.33Å; A386-H388 VanDerWaalsContact C-N 3.29Å; A386-H388 PolarHBondContact O-N 3.07Å | ||
| 387 | S | 41.4 | Very low | 45.2 | Very low | 124 Ų | 124 | 116.4 Ų | 116.4 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -45.7 | 86.6 | 178.4 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | I385 | I385-S387 PolarHBondContact O-N 3.39Å; I385-S387 VanDerWaalsContact O-N 3.17Å |
| 388 | H | 49.4 | Very low | 46.3 | Very low | 136 Ų | 136 | 117.1 Ų | 117.1 | 63% | 0.63 | 71% | 0.709 | S | S | * | * | trans | -129.3 | 6.6 | 170.4 | -133.9 | 69.2 | 0 | 0 | 0 | 113 | A386 | A386-H388 VanDerWaalsContact C-N 3.29Å; A386-H388 PolarHBondContact O-N 3.07Å | ||
| 389 | S | 39.8 | Very low | 47.3 | Very low | 96 Ų | 96 | 116.7 Ų | 116.7 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -7.3 | -179.8 | -41 | 0 | 0 | 0 | 0 | 113.4 | ||
| 390 | Q | 41.3 | Very low | 48.7 | Very low | 197 Ų | 197 | 114.7 Ų | 114.7 | 92% | 0.921 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 1.2 | 172.3 | -68.6 | -148.4 | -0 | 0 | 0 | 114 | ||
| 391 | R | 44.3 | Very low | 50 | Low | 172 Ų | 172 | 112.1 Ų | 112.1 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -100.2 | 3.3 | -175.7 | -147.1 | 174.6 | 179.8 | 157.5 | -0.5 | 114.7 | ||
| 392 | A | 43.1 | Very low | 51 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 74% | 0.744 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -85.7 | -6.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 393 | C | 43.2 | Very low | 52.1 | Low | 114 Ų | 114 | 109 Ų | 109 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -110.3 | -10.4 | -172.4 | -54.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 394 | L | 46.3 | Very low | 52.5 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 73% | 0.728 | 61% | 0.61 | S | S | * | * | trans | -132.2 | 85.2 | 175.5 | -62.5 | 174.5 | 0 | 0 | 0 | 107.2 | D396 | L394-D396 PolarHBondContact O-N 2.9Š| ||
| 395 | G | 55.3 | Low | 53.6 | Low | 72 Ų | 72 | 108.3 Ų | 108.3 | 74% | 0.742 | 60% | 0.6 | S | S | * | * | trans | -57.5 | 88.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 396 | D | 59.9 | Low | 53.9 | Low | 78 Ų | 78 | 107.1 Ų | 107.1 | 42% | 0.417 | 60% | 0.601 | S | S | . | * | trans | -58.4 | 137.1 | -158 | -170.2 | 1 | 0 | 0 | 0 | 109.5 | L394 R398 D399 M400 | L394-D396 PolarHBondContact O-N 2.9Å; D396-R398 HydrophobicContact CB-CB 4.39Å; D396-R398 CarbonylContact O-C 3.55Å; D396-R398 PolarHBondContact O-N 3.04Å; D396-D399 PolarHBondContact O-N 3.17Å; D396-M400 PolarHBondContact O-N 2.97Å | ||
| 397 | L | 62 | Low | 54.4 | Low | 60 Ų | 60 | 109.8 Ų | 109.8 | 31% | 0.314 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -45.2 | -29.7 | 175.2 | 174.1 | 71.6 | 0 | 0 | 0 | 112.1 | P187 F188 M400 I401 | P187-L397 HydrophobicContact CB-CD1 3.86Å; P187-L397 HydrophobicContact CB-CD2 3.2Å; P187-L397 HydrophobicContact CB-CG 4.12Å; P187-L397 HydrophobicContact CG-CD1 4.03Å; P187-L397 HydrophobicContact CG-CD2 3.74Å; F188-L397 HydrophobicContact CE1-CD1 3.91Å; F188-L397 HydrophobicContact CE2-CD1 4.39Å; F188-L397 HydrophobicContact CZ-CD1 3.71Å; L397-M400 PolarHBondContact O-N 3.32Å; L397-I401 HydrophobicContact CD1-CD1 3.98Å; L397-I401 HydrophobicContact CD1-CG1 4.35Å; L397-I401 HydrophobicContact CD2-CD1 4.29Å; L397-I401 HydrophobicContact CG-CD1 3.74Å; L397-I401 HydrophobicContact CG-CG1 4.43Å; L397-I401 WeakPolarHBondContact O-CB 3.5Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.43Å; L397-I401 PolarHBondContact O-N 3.44Å |
| 398 | R | 62 | Low | 54.6 | Low | 175 Ų | 175 | 107.6 Ų | 107.6 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -55.7 | -45.2 | 171.2 | -154.8 | 167.2 | -168.9 | -101.2 | 1.4 | 113.2 | D396 I401 S402 | D396-R398 HydrophobicContact CB-CB 4.39Å; D396-R398 CarbonylContact O-C 3.55Å; D396-R398 PolarHBondContact O-N 3.04Å; R398-I401 PolarHBondContact O-N 3.09Å; R398-S402 WeakPolarHBondContact O-CA 3.4Å; R398-S402 WeakPolarHBondContact O-CB 3.24Å; R398-S402 PolarHBondContact O-N 3.28Å; R398-S402 PolarHBondContact O-OG 3.09Å |
| 399 | D | 72 | Confident | 54.5 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.4 | -36.5 | 176.3 | -105 | 7.6 | 0 | 0 | 0 | 112.5 | D396 I401 S402 M403 | D396-D399 PolarHBondContact O-N 3.17Å; D399-I401 VanDerWaalsContact C-N 3.32Å; D399-I401 PolarHBondContact O-N 3.27Å; D399-S402 PolarHBondContact O-N 3.32Å; D399-M403 PolarHBondContact O-N 3.42Å; D399-M403 VanDerWaalsContact O-N 3.12Å |
| 400 | M | 71.1 | Confident | 54.5 | Low | 53 Ų | 53 | 107.8 Ų | 107.8 | 26% | 0.261 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67 | -35.5 | 177.5 | -161.1 | -175.9 | -43.6 | 0 | 0 | 112 | F188 D396 L397 Y404 | F188-M400 HydrophobicContact CE1-SD 3.8Å; F188-M400 HydrophobicContact CZ-CE 4.31Å; F188-M400 HydrophobicContact CZ-SD 3.84Å; D396-M400 PolarHBondContact O-N 2.97Å; L397-M400 PolarHBondContact O-N 3.32Å; M400-Y404 WeakPolarHBondContact O-CD2 3.19Å; M400-Y404 WeakPolarHBondContact O-CE2 3.49Å |
| 401 | I | 67.7 | Low | 54.5 | Low | 59 Ų | 59 | 103 Ų | 103 | 30% | 0.303 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -80.8 | -37.7 | 174.7 | -64.3 | 170.8 | 0 | 0 | 0 | 110.9 | L397 R398 D399 M403 Y404 | L397-I401 HydrophobicContact CD1-CD1 3.98Å; L397-I401 HydrophobicContact CD1-CG1 4.35Å; L397-I401 HydrophobicContact CD2-CD1 4.29Å; L397-I401 HydrophobicContact CG-CD1 3.74Å; L397-I401 HydrophobicContact CG-CG1 4.43Å; L397-I401 WeakPolarHBondContact O-CB 3.5Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.43Å; L397-I401 PolarHBondContact O-N 3.44Å; R398-I401 PolarHBondContact O-N 3.09Å; D399-I401 VanDerWaalsContact C-N 3.32Å; D399-I401 PolarHBondContact O-N 3.27Å; I401-M403 VanDerWaalsContact C-N 3.29Å; I401-M403 PolarHBondContact O-N 3.31Å; I401-Y404 WeakPolarHBondContact O-CA 3.46Å; I401-Y404 WeakPolarHBondContact O-CB 3.5Å; I401-Y404 PolarHBondContact O-N 3.4Å |
| 402 | S | 68.7 | Low | 54.4 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 39% | 0.392 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.4 | -26.2 | 179.6 | -71 | 0 | 0 | 0 | 0 | 113.3 | R398 D399 Y404 L405 | R398-S402 WeakPolarHBondContact O-CA 3.4Å; R398-S402 WeakPolarHBondContact O-CB 3.24Å; R398-S402 PolarHBondContact O-N 3.28Å; R398-S402 PolarHBondContact O-OG 3.09Å; D399-S402 PolarHBondContact O-N 3.32Å; S402-Y404 PolarHBondContact O-N 3.23Å; S402-L405 PolarHBondContact O-N 3.31Å; S402-L405 VanDerWaalsContact O-N 3.15Å |
| 403 | M | 69.6 | Low | 54.1 | Low | 105 Ų | 105 | 102.8 Ų | 102.8 | 52% | 0.517 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.6 | -10.3 | 166.2 | -88.5 | -134.5 | -56.4 | 0 | 0 | 114.2 | R155 D399 I401 | R155-M403 PolarHBondContact NH1-SD 3.28Å; D399-M403 PolarHBondContact O-N 3.42Å; D399-M403 VanDerWaalsContact O-N 3.12Å; I401-M403 VanDerWaalsContact C-N 3.29Å; I401-M403 PolarHBondContact O-N 3.31Å |
| 404 | Y | 50.8 | Low | 54 | Low | 86 Ų | 86 | 101.6 Ų | 101.6 | 34% | 0.337 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.8 | 0.6 | 178.4 | -63.2 | -75.8 | 0 | 0 | 0 | 114.5 | R151 M400 I401 S402 | R151-Y404 WeakPolarHBondContact CB-OH 3.44Å; R151-Y404 WeakPolarHBondContact CD-OH 3.47Å; R151-Y404 HydrophobicContact CG-CE1 4.43Å; R151-Y404 WeakPolarHBondContact CG-OH 3.16Å; M400-Y404 WeakPolarHBondContact O-CD2 3.19Å; M400-Y404 WeakPolarHBondContact O-CE2 3.49Å; I401-Y404 WeakPolarHBondContact O-CA 3.46Å; I401-Y404 WeakPolarHBondContact O-CB 3.5Å; I401-Y404 PolarHBondContact O-N 3.4Å; S402-Y404 PolarHBondContact O-N 3.23Å |
| 405 | L | 58.7 | Low | 53.4 | Low | 121 Ų | 121 | 99.8 Ų | 99.8 | 63% | 0.634 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -112.3 | 130.6 | 175.1 | -124.1 | 68 | 0 | 0 | 0 | 109.6 | S402 | S402-L405 PolarHBondContact O-N 3.31Å; S402-L405 VanDerWaalsContact O-N 3.15Å |
| 406 | P | 44.8 | Very low | 52.5 | Low | 114 Ų | 114 | 101.7 Ų | 101.7 | 74% | 0.74 | 64% | 0.635 | S | S | * | * | trans | -60.5 | 139.9 | 178.4 | 23.3 | -31.1 | 0 | 0 | 0 | 110.7 | G408 | P406-G408 PolarHBondContact O-N 3.49Å; P406-G408 VanDerWaalsContact O-N 3.08Å | ||
| 407 | P | 51.7 | Low | 51.8 | Low | 140 Ų | 140 | 104.2 Ų | 104.2 | 91% | 0.909 | 66% | 0.656 | S | S | * | * | trans | -73.7 | 104.7 | -177 | 29.7 | -31.7 | 0 | 0 | 0 | 108.7 | ||||
| 408 | G | 44.3 | Very low | 50.7 | Low | 78 Ų | 78 | 109.1 Ų | 109.1 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -168.1 | 95 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P406 | P406-G408 PolarHBondContact O-N 3.49Å; P406-G408 VanDerWaalsContact O-N 3.08Å | ||
| 409 | G | 47.6 | Very low | 49.9 | Very low | 70 Ų | 70 | 107.2 Ų | 107.2 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | trans | 125.9 | 88.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 410 | D | 39.6 | Very low | 48 | Very low | 167 Ų | 167 | 105.4 Ų | 105.4 | 89% | 0.893 | 70% | 0.701 | S | S | * | * | trans | -142.6 | 134.3 | 142.7 | -80.5 | -47.6 | 0 | 0 | 0 | 107.6 | ||||
| 411 | A | 41.7 | Very low | 46.3 | Very low | 96 Ų | 96 | 106.6 Ų | 106.6 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | trans | -108.8 | 155.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 412 | A | 42.8 | Very low | 44.7 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 137.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 413 | D | 37.1 | Very low | 43.3 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | -157.4 | 170.4 | 52.7 | -147.3 | -64.9 | 0 | 0 | 0 | 113.3 | |||||
| 414 | A | 39.5 | Very low | 42.1 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -82.4 | 158.5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 415 | A | 34 | Very low | 41.5 | Very low | 102 Ų | 102 | 122 Ų | 122 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | 176.3 | 125.1 | 128.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 416 | S | 37.9 | Very low | 40.5 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -76.9 | 168.8 | 174.5 | -50.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 417 | P | 44.9 | Very low | 39.8 | Very low | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | -141.8 | 156.6 | 84.1 | 32.5 | -13.1 | 0 | 0 | 0 | 116 | |||||
| 418 | L | 37.7 | Very low | 39.2 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -66.2 | 167.2 | 178 | -58.6 | 166.9 | 0 | 0 | 0 | 113.3 | ||||
| 419 | P | 45.5 | Very low | 38.7 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -146.7 | 159.2 | 79.7 | 36.4 | -17.3 | 0 | 0 | 0 | 115.9 | |||||
| 420 | G | 32.2 | Very low | 37.9 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 133.7 | 84.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 421 | G | 35.7 | Very low | 37.8 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 156 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 422 | R | 32.9 | Very low | 37.3 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -163.2 | 101.5 | 146.6 | -135.1 | 177.4 | -159.2 | -137.8 | 2.3 | 110.8 | ||||
| 423 | L | 41.2 | Very low | 37 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -99.6 | 128.5 | 159.8 | -62.4 | 175.4 | 0 | 0 | 0 | 107.8 | ||||
| 424 | H | 44.3 | Very low | 36.7 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -142.1 | 133.8 | 159.3 | -78.1 | 54.8 | 0 | 0 | 0 | 103.4 | ||||
| 425 | G | 36.3 | Very low | 36.8 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 123.5 | 93 | 19.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 426 | V | 37.7 | Very low | 37.1 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 68.1 | 122.8 | 146.6 | -173.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 427 | H | 31.2 | Very low | 37.4 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | -147.8 | 128.1 | 126 | -110.5 | 71.5 | 0 | 0 | 0 | 111.6 | |||||
| 428 | Q | 38.2 | Very low | 37.2 | Very low | 154 Ų | 154 | 136 Ų | 136 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -101.8 | 172 | 175.7 | -89.2 | -83.5 | 39.9 | 0 | 0 | 110.3 | ||||
| 429 | H | 34.5 | Very low | 37.2 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 98.2 | 130.3 | 170.8 | -67.3 | -89.8 | 0 | 0 | 0 | 115.3 | ||||
| 430 | Y | 30.7 | Very low | 37.1 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -157.3 | 159.6 | 24.9 | -150.1 | -95.1 | 0 | 0 | 0 | 112.1 | ||||
| 431 | Q | 38 | Very low | 37.9 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -40.8 | 163.3 | 168.9 | -90 | 127.5 | -36.1 | 0 | 0 | 116.6 | ||||
| 432 | G | 31.9 | Very low | 38.9 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | cis | 152.9 | 172.2 | 13.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 433 | A | 34.7 | Very low | 39.4 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 96% | 0.959 | 78% | 0.783 | S | S | * | * | trans | 71 | 143.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 434 | G | 32.5 | Very low | 40 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | 172.8 | 150.3 | 3.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 435 | T | 41.7 | Very low | 40.1 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | 32.9 | 127.2 | 149.4 | 62.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 436 | A | 39.2 | Very low | 40.7 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | 168.2 | 132.7 | 117 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 437 | V | 44.1 | Very low | 40.9 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 56.6 | 118.3 | 138.7 | -52 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 438 | N | 40.8 | Very low | 41.4 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | 82.8 | 130.1 | 56.3 | -150.1 | -18.7 | 0 | 0 | 0 | 114.3 | |||||
| 439 | G | 37.3 | Very low | 41.6 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | 123.2 | 91.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 440 | T | 44 | Very low | 42 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | 57.3 | 117.4 | 76.2 | -54.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 441 | V | 48.9 | Very low | 42.7 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -41.1 | 161.9 | 169.7 | -124.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 442 | P | 56.9 | Low | 43 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | -157 | 161.6 | 69 | 40.2 | -17.5 | 0 | 0 | 0 | 119.6 | |||||
| 443 | L | 43.4 | Very low | 43.8 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | 41.3 | 125.6 | 128.4 | -151.4 | 74.9 | 0 | 0 | 0 | 121 | |||||
| 444 | T | 54.3 | Low | 44.5 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | 162.6 | 149.4 | 112.9 | 41.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 445 | H | 46.2 | Very low | 45.5 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | trans | -49.1 | 149.4 | 175.3 | -75.1 | -78.2 | 0 | 0 | 0 | 115.5 | ||||
| 446 | I | 49.3 | Very low | 45.8 | Very low | 240 Ų | 240 | 138.5 Ų | 138.5 | 100% | 1.231 | 82% | 0.823 | S | S | * | * | -147.9 | 0 | 121.7 | -94.5 | 155.2 | 0 | 0 | 0 | 108.1 |
Retrieved 446 of 446 residues in 594.6 ms
(Link to these results)