| 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 | 32.3 | Very low | 36.5 | Very low | 249 Ų | 249 | 148.5 Ų | 148.5 | 100% | 1.227 | 82% | 0.824 | S | S | * | * | 0 | 125.6 | 0 | -63 | 169.8 | -178.8 | 0 | 0 | 107.1 | |||||
| 2 | A | 36 | Very low | 36.8 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | cis | -153.1 | 137.2 | -19 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 3 | E | 37.6 | Very low | 37.5 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -73.1 | 131.4 | 167.2 | -74.4 | -178.9 | 121.2 | 0 | 0 | 108.4 | ||||
| 4 | M | 38.2 | Very low | 37.1 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -114.9 | 109.1 | 166.9 | 63.2 | -175.9 | -171.2 | 0 | 0 | 108.6 | ||||
| 5 | S | 35 | Very low | 36.9 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | -84.2 | 121.5 | 173.6 | -48.6 | 0 | 0 | 0 | 0 | 108.8 | V7 | S5-V7 PolarHBondContact O-N 2.8Š| ||
| 6 | E | 37.7 | Very low | 36.7 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -77 | 115.3 | 178 | -168.1 | 174.9 | 172.4 | 0 | 0 | 110.3 | ||||
| 7 | V | 38.4 | Very low | 36.4 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 70% | 0.697 | 82% | 0.819 | S | S | * | * | trans | -96 | 111.6 | 179.7 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | S5 I9 | S5-V7 PolarHBondContact O-N 2.8Å; V7-I9 HydrophobicContact CG1-CG1 4.09Å; V7-I9 PolarHBondContact O-N 3Å | ||
| 8 | V | 36.5 | Very low | 36 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | trans | -87.6 | 106.3 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | V10 | V8-V10 HydrophobicContact CG1-CG2 4.46Š| ||
| 9 | I | 36.9 | Very low | 35.8 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 70% | 0.697 | 82% | 0.824 | S | S | * | * | trans | -84.1 | 122.9 | 175.2 | -57.9 | 176.7 | 0 | 0 | 0 | 109 | V7 | V7-I9 HydrophobicContact CG1-CG1 4.09Å; V7-I9 PolarHBondContact O-N 3Å | ||
| 10 | V | 32.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 74% | 0.739 | 83% | 0.826 | S | S | * | * | trans | -106.2 | 97.5 | 171.3 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | V8 | V8-V10 HydrophobicContact CG1-CG2 4.46Š| ||
| 11 | T | 39.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 127.5 | 176 | -38.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 12 | L | 40.4 | Very low | 35.3 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 139.9 | 169.7 | -67.5 | 170 | 0 | 0 | 0 | 109.6 | ||
| 13 | P | 45.6 | Very low | 34.9 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 143.8 | -177.8 | 30.3 | -34.3 | 0 | 0 | 0 | 112.8 | ||
| 14 | E | 31.6 | Very low | 34.6 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 152.9 | 179.4 | -165.6 | 178.3 | 140.6 | 0 | 0 | 112.8 | V16 | E14-V16 PolarHBondContact O-N 3.38Š|
| 15 | V | 34.5 | Very low | 34.2 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -88.2 | 106.3 | -173.8 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 16 | V | 33.2 | Very low | 34.1 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -68.8 | 137.8 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | E14 | E14-V16 PolarHBondContact O-N 3.38Š| ||
| 17 | S | 32.9 | Very low | 33.7 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -53.6 | 133 | 176.9 | -59 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 18 | N | 28.7 | Very low | 33.2 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -88.6 | 109.3 | 163.3 | -91.4 | -8.8 | 0 | 0 | 0 | 110.6 | ||||
| 19 | Q | 32.2 | Very low | 33 | Very low | 189 Ų | 189 | 143.8 Ų | 143.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -122.6 | 130.8 | 151.8 | -77 | -173.3 | -2.1 | 0 | 0 | 109 | ||||
| 20 | L | 31.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -91.8 | 158.1 | 174.1 | -120.5 | 69.8 | 0 | 0 | 0 | 109.8 | ||||
| 21 | P | 35.6 | Very low | 32.1 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -92.1 | 157.8 | -155.5 | 36.2 | -37.5 | 0 | 0 | 0 | 115.2 | ||||
| 22 | S | 26.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -138.8 | 82.1 | 165.4 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | V | 26.9 | Very low | 31 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | 37.6 | 113 | 126.6 | 174.2 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 24 | V | 31 | Very low | 30.2 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 79% | 0.788 | 82% | 0.824 | S | S | * | * | trans | 59.6 | 149.1 | 164.6 | -91.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 25 | E | 30.3 | Very low | 29.9 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | cis | -130.2 | 170 | 3.3 | -70.7 | -159.3 | 111.2 | 0 | 0 | 113 | ||||
| 26 | E | 32.5 | Very low | 29.5 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -78.3 | 138.6 | 167.2 | -81.4 | 174.6 | 83.2 | 0 | 0 | 112.3 | ||||
| 27 | D | 29.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -162.9 | 103.6 | 135.3 | -118.9 | -26.4 | 0 | 0 | 0 | 115 | ||||
| 28 | K | 28.9 | Very low | 29.3 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | 38 | 143.6 | 127.5 | -158 | 175.8 | 179.5 | -174.5 | 0 | 124 | |||||
| 29 | A | 30.6 | Very low | 29.3 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 89 | 118.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 30 | V | 25.6 | Very low | 29.1 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | cis | 89.7 | 102.5 | 39.4 | -179 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 31 | L | 26.5 | Very low | 28.8 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -6 | 134.5 | 159.5 | -55 | 170.1 | 0 | 0 | 0 | 119.8 | ||||
| 32 | V | 27.9 | Very low | 28.5 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -140.9 | 137.8 | 135.6 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 33 | A | 27.8 | Very low | 28.5 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -105.3 | 155.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 34 | T | 29.1 | Very low | 28.5 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | trans | -150.4 | 154.1 | 148.9 | -0.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 35 | E | 26 | Very low | 28.2 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -116.6 | 159.4 | -157.7 | -172.7 | -171.6 | 143.5 | 0 | 0 | 110 | ||||
| 36 | L | 25.3 | Very low | 27.8 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | 160.9 | 116.7 | 128 | -84 | 158.2 | 0 | 0 | 0 | 112.6 | |||||
| 37 | A | 26.3 | Very low | 27.5 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | trans | -82.1 | -171.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 38 | P | 37.3 | Very low | 27.3 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | -160.7 | 165.9 | 67.5 | 45.5 | -24.2 | 0 | 0 | 0 | 119.2 | |||||
| 39 | Q | 28.3 | Very low | 27.8 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | 69.7 | 129.9 | 151.9 | -50.5 | -109.6 | 22.3 | 0 | 0 | 118.4 | ||||
| 40 | A | 27.9 | Very low | 27.7 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | cis | 88.7 | 130.6 | 33.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 41 | G | 26.1 | Very low | 27.8 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 173.4 | 114.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 42 | E | 28.8 | Very low | 28 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -107.2 | 149.4 | -175.7 | 64.1 | -152.7 | 109.7 | 0 | 0 | 111.2 | ||||
| 43 | D | 26.6 | Very low | 28.1 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -159.1 | 157.8 | 150.3 | -140.3 | -22.9 | 0 | 0 | 0 | 112.5 | ||||
| 44 | I | 26.6 | Very low | 28.2 | Very low | 143 Ų | 143 | 136 Ų | 136 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -131.8 | 125.8 | -171 | -147.8 | 171.7 | 0 | 0 | 0 | 109.9 | ||||
| 45 | L | 23.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -173.6 | 142.2 | 143.6 | -128.9 | 82.3 | 0 | 0 | 0 | 114.5 | ||||
| 46 | T | 22.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -65.7 | 140.9 | 163 | 43.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 47 | V | 26.3 | Very low | 28.9 | Very low | 142 Ų | 142 | 133 Ų | 133 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -149.8 | 153.7 | 137.3 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 48 | T | 25.6 | Very low | 29.1 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 166.8 | -169.4 | 44 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 49 | P | 40.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -88.3 | 164.7 | 174.2 | 37.9 | -36.9 | 0 | 0 | 0 | 114.2 | ||||
| 50 | V | 27.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -168.7 | 151.4 | 166.8 | 139.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 51 | D | 28.8 | Very low | 28.7 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | cis | 163.1 | 140.4 | -28.4 | -102.7 | -46.3 | 0 | 0 | 0 | 105 | ||||
| 52 | A | 29.7 | Very low | 29.1 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -176.2 | 81.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 53 | E | 29.9 | Very low | 29.4 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 67.1 | 112.8 | 75.7 | -64.4 | -155.7 | 118.6 | 0 | 0 | 115.6 | |||||
| 54 | T | 29.4 | Very low | 29.6 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -167.7 | 101.1 | 134.2 | 9.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 55 | E | 33.1 | Very low | 29.9 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | 60.6 | 138.2 | 99.2 | -71.7 | -162.1 | 168.2 | 0 | 0 | 114.3 | |||||
| 56 | A | 32.8 | Very low | 30.2 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | cis | -165.4 | 171.4 | -11.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 57 | T | 30.3 | Very low | 30.7 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | cis | -151.1 | -171.2 | 9.5 | -23 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 58 | A | 29.3 | Very low | 31.3 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -75.2 | 159.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 59 | D | 24.6 | Very low | 31.9 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | -146.3 | 161.1 | 108.7 | -160.1 | 13.7 | 0 | 0 | 0 | 110.5 | |||||
| 60 | S | 34.4 | Very low | 31.7 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | trans | -142.6 | 161.6 | -153.8 | -161.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 61 | M | 27.8 | Very low | 31.8 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | trans | 73.2 | 139.9 | 166 | -51.9 | -178.8 | 69.3 | 0 | 0 | 116.9 | ||||
| 62 | S | 34.1 | Very low | 32.4 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -163.6 | 148 | -4.6 | 43.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 63 | K | 33.8 | Very low | 33 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | 4.2 | 137.5 | 136.6 | -99.7 | -154.2 | 157.6 | -143.4 | 0 | 117 | ||||
| 64 | E | 32.2 | Very low | 33.7 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | cis | -148.5 | 179.6 | -1.7 | -68.1 | -179.4 | 112.3 | 0 | 0 | 107.3 | ||||
| 65 | E | 31.2 | Very low | 34.3 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | cis | -156.7 | -178.3 | 13.2 | -150.1 | -130.7 | 98.5 | 0 | 0 | 111.4 | ||||
| 66 | A | 31.4 | Very low | 34.5 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | trans | 64.9 | 142.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 67 | V | 31.5 | Very low | 35 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | 83.1 | 89.9 | 160 | -162.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 68 | I | 40.4 | Very low | 36.2 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | 51.7 | 101.2 | 135.9 | -47.5 | 169.2 | 0 | 0 | 0 | 118.4 | ||||
| 69 | V | 36.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -151.9 | 136 | 156 | -145.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 70 | K | 36.2 | Very low | 39.9 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | trans | 64 | 158.8 | 152.8 | -89.4 | 163.8 | 179.2 | 171.6 | 0 | 118 | ||||
| 71 | L | 29.4 | Very low | 42.6 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | cis | -119 | 156.3 | -1.6 | -67.7 | 82.8 | 0 | 0 | 0 | 107.8 | ||||
| 72 | S | 43.3 | Very low | 45.7 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | cis | 60 | 51.5 | 47 | -58.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 73 | E | 41.5 | Very low | 48.6 | Very low | 157 Ų | 157 | 122.6 Ų | 122.6 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | trans | -131.2 | 153.7 | 167.6 | -156.1 | 160.2 | 129.5 | 0 | 0 | 108.7 | V75 | E73-V75 PolarHBondContact O-N 3.2Š| ||
| 74 | E | 45.5 | Very low | 51.5 | Low | 173 Ų | 173 | 118.2 Ų | 118.2 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | trans | -62.3 | 104.6 | -162 | 47 | -99.9 | 83.2 | 0 | 0 | 116 | ||||
| 75 | V | 40.3 | Very low | 54.6 | Low | 122 Ų | 122 | 111.3 Ų | 111.3 | 74% | 0.739 | 61% | 0.607 | S | S | * | * | trans | -88.1 | 122.6 | 155.9 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | E73 V77 | E73-V75 PolarHBondContact O-N 3.2Å; V75-V77 WeakPolarHBondContact O-CG2 3.46Å; V75-V77 PolarHBondContact O-N 3.22Å | ||
| 76 | D | 37.8 | Very low | 57.6 | Low | 139 Ų | 139 | 105.2 Ų | 105.2 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | trans | -58.4 | 92.3 | 169.2 | 175.7 | 34 | 0 | 0 | 0 | 110.8 | E78 | D76-E78 PolarHBondContact O-N 2.92Å; D76-E78 VanDerWaalsContact O-N 3.13Å; D76-E78 PolarHBondContact OD1-N 2.76Å | ||
| 77 | V | 44.4 | Very low | 60.6 | Low | 123 Ų | 123 | 101.8 Ų | 101.8 | 75% | 0.745 | 55% | 0.553 | S | S | * | * | trans | -85.6 | 60 | 171 | -164.8 | 0 | 0 | 0 | 0 | 109.2 | V75 A79 | V75-V77 WeakPolarHBondContact O-CG2 3.46Å; V75-V77 PolarHBondContact O-N 3.22Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.93Å | ||
| 78 | E | 54.2 | Low | 63.4 | Low | 101 Ų | 101 | 97.7 Ų | 97.7 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | trans | -62.2 | 99.6 | 158.2 | -170.1 | -168.5 | -140.4 | 0 | 0 | 106.4 | D76 D80 K97 | D76-E78 PolarHBondContact O-N 2.92Å; D76-E78 VanDerWaalsContact O-N 3.13Å; D76-E78 PolarHBondContact OD1-N 2.76Å; E78-D80 PolarHBondContact O-N 2.93Å; E78-K97 PolarHBondContact O-NZ 3.25Å; E78-K97 WeakPolarHBondContact OE2-CE 3.44Å; E78-K97 IonicContact OE2-NZ 3.81Å; E78-K97 PolarHBondContact OE2-NZ 2.88Å | ||
| 79 | A | 58.7 | Low | 65.8 | Low | 67 Ų | 67 | 97.8 Ų | 97.8 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | trans | -57.8 | 132.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V77 V81 | V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.93Å; A79-V81 PolarHBondContact O-N 3.28Å | ||
| 80 | D | 74.3 | Confident | 68.5 | Low | 75 Ų | 75 | 93 Ų | 93 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | trans | -62.3 | 114.4 | 170.4 | -87.6 | -0.8 | 0 | 0 | 0 | 108.6 | E78 F82 K97 | E78-D80 PolarHBondContact O-N 2.93Å; D80-F82 HydrophobicContact CB-CD2 4.41Å; D80-F82 HydrophobicContact CB-CE1 4.39Å; D80-F82 HydrophobicContact CB-CE2 3.58Å; D80-F82 HydrophobicContact CB-CZ 3.57Å; D80-F82 WeakPolarHBondContact O-CD2 3.46Å; D80-F82 WeakPolarHBondContact O-CE2 3.16Å; D80-F82 PolarHBondContact O-N 3.15Å; D80-K97 WeakPolarHBondContact OD1-CD 3.33Å; D80-K97 WeakPolarHBondContact OD1-CE 3.12Å; D80-K97 IonicContact OD1-NZ 2.84Å; D80-K97 PolarHBondContact OD1-NZ 2.94Å | ||
| 81 | V | 90.2 | Very high | 71.3 | Confident | 53 Ų | 53 | 92.3 Ų | 92.3 | 32% | 0.321 | 51% | 0.506 | S | S | . | . | trans | -79.2 | 120.9 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | A79 Y83 W96 | A79-V81 PolarHBondContact O-N 3.28Å; V81-Y83 HydrophobicContact CG1-CD2 4.27Å; V81-Y83 HydrophobicContact CG1-CE1 4.47Å; V81-Y83 HydrophobicContact CG1-CE2 3.61Å; V81-W96 HydrophobicContact CB-CB 4.07Å; V81-W96 HydrophobicContact CB-CE3 3.98Å; V81-W96 HydrophobicContact CG1-CB 4.44Å; V81-W96 HydrophobicContact CG2-CE3 4.03Å; V81-W96 VanDerWaalsContact O-CB 3.28Å; V81-W96 WeakPolarHBondContact O-CB 3.43Å; V81-W96 PolarHBondContact O-N 2.69Å | ||
| 82 | F | 93.6 | Very high | 74.5 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.8 | -177.2 | -65.7 | -74.5 | 0 | 0 | 0 | 110.6 | D80 T93 L94 V95 | D80-F82 HydrophobicContact CB-CD2 4.41Å; D80-F82 HydrophobicContact CB-CE1 4.39Å; D80-F82 HydrophobicContact CB-CE2 3.58Å; D80-F82 HydrophobicContact CB-CZ 3.57Å; D80-F82 WeakPolarHBondContact O-CD2 3.46Å; D80-F82 WeakPolarHBondContact O-CE2 3.16Å; D80-F82 PolarHBondContact O-N 3.15Å; F82-T93 HydrophobicContact CB-CG2 3.62Å; F82-T93 HydrophobicContact CD1-CG2 3.82Å; F82-T93 HydrophobicContact CG-CG2 4.1Å; F82-L94 WeakPolarHBondContact CA-O 3.26Å; F82-V95 HydrophobicContact CD1-CB 4.37Å; F82-V95 HydrophobicContact CD1-CG1 4.29Å; F82-V95 HydrophobicContact CD1-CG2 3.99Å; F82-V95 HydrophobicContact CE1-CB 4.24Å; F82-V95 HydrophobicContact CE1-CG1 3.83Å; F82-V95 HydrophobicContact CE1-CG2 3.76Å |
| 83 | Y | 94.6 | Very high | 77 | Confident | 63 Ų | 63 | 82.8 Ų | 82.8 | 25% | 0.247 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.5 | 177.3 | -67.9 | -78.5 | 0 | 0 | 0 | 111.2 | V81 I85 L94 W96 L139 L153 | V81-Y83 HydrophobicContact CG1-CD2 4.27Å; V81-Y83 HydrophobicContact CG1-CE1 4.47Å; V81-Y83 HydrophobicContact CG1-CE2 3.61Å; Y83-I85 PolarHBondContact O-N 3.31Å; Y83-L94 PolarHBondContact N-O 3.45Å; Y83-L94 PolarHBondContact O-N 3.02Å; Y83-W96 HydrophobicContact CD2-CB 3.98Å; Y83-W96 HydrophobicContact CD2-CG 4.4Å; Y83-W96 HydrophobicContact CE2-CB 3.73Å; Y83-W96 HydrophobicContact CE2-CD2 4.37Å; Y83-W96 AromaticContact CE2-CG 3.77Å; Y83-W96 HydrophobicContact CE2-CG 3.77Å; Y83-L139 HydrophobicContact CD1-CD1 3.96Å; Y83-L139 HydrophobicContact CG-CD1 4.03Å; Y83-L153 HydrophobicContact CD1-CD1 3.99Å; Y83-L153 HydrophobicContact CD2-CD1 3.51Å; Y83-L153 HydrophobicContact CE1-CD1 4.07Å; Y83-L153 HydrophobicContact CE2-CD1 3.6Å; Y83-L153 HydrophobicContact CE2-CG 4.23Å; Y83-L153 HydrophobicContact CG-CD1 3.71Å |
| 84 | P | 94.9 | Very high | 79.5 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 121.7 | 175.6 | 28.6 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 85 | I | 96.1 | Very high | 81.9 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.015 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 155.4 | 179.7 | 62.1 | 161.7 | 0 | 0 | 0 | 111.9 | Y83 A92 L94 V109 F121 I137 R138 L139 | Y83-I85 PolarHBondContact O-N 3.31Å; I85-A92 HydrophobicContact CD1-CB 4.43Å; I85-A92 HydrophobicContact CG1-CB 4.07Å; I85-A92 WeakPolarHBondContact CG1-O 3.26Å; I85-A92 PolarHBondContact N-O 2.88Å; I85-A92 PolarHBondContact O-N 2.95Å; I85-L94 HydrophobicContact CD1-CB 4.16Å; I85-L94 HydrophobicContact CG1-CB 4.31Å; I85-L94 HydrophobicContact CG2-CB 3.93Å; I85-V109 HydrophobicContact CD1-CG1 3.9Å; I85-V109 HydrophobicContact CD1-CG2 3.82Å; I85-F121 HydrophobicContact CD1-CD1 4.06Å; I85-F121 HydrophobicContact CD1-CE1 3.82Å; I85-F121 HydrophobicContact CG1-CE1 4.26Å; I85-I137 HydrophobicContact CB-CG2 3.9Å; I85-I137 HydrophobicContact CD1-CD1 4.46Å; I85-I137 HydrophobicContact CD1-CG2 3.8Å; I85-I137 HydrophobicContact CG1-CG2 4.43Å; I85-I137 HydrophobicContact CG2-CG2 4.2Å; I85-R138 CarbonylContact C-O 3.52Å; I85-R138 VanDerWaalsContact CA-O 3.26Å; I85-R138 WeakPolarHBondContact CA-O 3.45Å; I85-L139 HydrophobicContact CG2-CB 4.09Å; I85-L139 HydrophobicContact CG2-CG 4.08Å |
| 86 | T | 95.4 | Very high | 84.4 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.6 | 179 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | A90 K91 I137 R138 | T86-A90 CarbonylContact C-O 3.55Å; T86-A90 VanDerWaalsContact CA-O 3.27Å; T86-A90 WeakPolarHBondContact CA-O 3.47Å; T86-K91 HydrophobicContact CG2-CG 4.1Å; T86-I137 WeakPolarHBondContact O-CA 3.28Å; T86-R138 PolarHBondContact N-O 3.43Å; T86-R138 PolarHBondContact O-N 3.06Å |
| 87 | C | 94.9 | Very high | 87 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 99.4 | 172.3 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | D89 A90 F121 A125 | C87-D89 PolarHBondContact O-N 3.29Å; C87-A90 PolarHBondContact N-O 2.78Å; C87-A90 PolarHBondContact O-N 3.05Å; C87-F121 HydrophobicContact CB-CD1 4.05Å; C87-F121 HydrophobicContact CB-CE1 3.42Å; C87-F121 VanDerWaalsContact CB-CE1 3.42Å; C87-F121 HydrophobicContact CB-CE2 4.49Å; C87-F121 HydrophobicContact CB-CZ 3.68Å; C87-A125 HydrophobicContact CB-CB 3.69Å; C87-A125 WeakPolarHBondContact O-CB 3.41Å; C87-A125 VanDerWaalsContact SG-CB 3.53Å |
| 88 | G | 89.3 | Confident | 89.3 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -121.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 89 | D | 90.2 | Very high | 91.2 | Very high | 163 Ų | 163 | 55.3 Ų | 55.3 | 87% | 0.872 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -14.2 | -174.3 | -41.4 | -45.7 | 0 | 0 | 0 | 112 | C87 | C87-D89 PolarHBondContact O-N 3.29Š|
| 90 | A | 94.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T86 C87 F111 F121 A125 | T86-A90 CarbonylContact C-O 3.55Å; T86-A90 VanDerWaalsContact CA-O 3.27Å; T86-A90 WeakPolarHBondContact CA-O 3.47Å; C87-A90 PolarHBondContact N-O 2.78Å; C87-A90 PolarHBondContact O-N 3.05Å; A90-F111 HydrophobicContact CB-CE2 4.11Å; A90-F111 HydrophobicContact CB-CZ 4.43Å; A90-F121 HydrophobicContact CB-CE2 3.86Å; A90-F121 HydrophobicContact CB-CZ 4.24Å; A90-A125 HydrophobicContact CB-CB 3.89Å |
| 91 | K | 95.1 | Very high | 93.8 | Very high | 166 Ų | 166 | 51 Ų | 51 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.7 | 177.2 | -58.5 | -179.9 | 179.4 | 173.9 | 0 | 109.8 | T86 F111 | T86-K91 HydrophobicContact CG2-CG 4.1Å; K91-F111 VanDerWaalsContact O-CD2 3.26Å; K91-F111 WeakPolarHBondContact O-CD2 3.43Å; K91-F111 WeakPolarHBondContact O-CE2 3.49Å |
| 92 | A | 95.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I85 V109 Q110 F111 F121 | I85-A92 HydrophobicContact CD1-CB 4.43Å; I85-A92 HydrophobicContact CG1-CB 4.07Å; I85-A92 WeakPolarHBondContact CG1-O 3.26Å; I85-A92 PolarHBondContact N-O 2.88Å; I85-A92 PolarHBondContact O-N 2.95Å; A92-V109 HydrophobicContact CB-CG1 3.51Å; A92-Q110 WeakPolarHBondContact CA-O 3.41Å; A92-Q110 WeakPolarHBondContact CB-O 3.29Å; A92-F111 HydrophobicContact CB-CB 4.08Å; A92-F111 HydrophobicContact CB-CD2 3.96Å; A92-F111 HydrophobicContact CB-CG 4.49Å; A92-F121 HydrophobicContact CB-CD2 4.06Å; A92-F121 HydrophobicContact CB-CE1 4.13Å; A92-F121 HydrophobicContact CB-CE2 3.5Å; A92-F121 HydrophobicContact CB-CZ 3.55Å |
| 93 | T | 95.8 | Very high | 93.7 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.6 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 110 | F82 V109 Q110 | F82-T93 HydrophobicContact CB-CG2 3.62Å; F82-T93 HydrophobicContact CD1-CG2 3.82Å; F82-T93 HydrophobicContact CG-CG2 4.1Å; T93-V109 CarbonylContact O-C 3.48Å; T93-Q110 PolarHBondContact N-O 3.44Å; T93-Q110 PolarHBondContact O-N 3Å |
| 94 | L | 95.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 120.8 | 174 | -179.4 | 72.1 | 0 | 0 | 0 | 109.7 | F82 Y83 I85 W96 F99 C108 V109 L153 | F82-L94 WeakPolarHBondContact CA-O 3.26Å; Y83-L94 PolarHBondContact N-O 3.45Å; Y83-L94 PolarHBondContact O-N 3.02Å; I85-L94 HydrophobicContact CD1-CB 4.16Å; I85-L94 HydrophobicContact CG1-CB 4.31Å; I85-L94 HydrophobicContact CG2-CB 3.93Å; L94-W96 PolarHBondContact O-N 2.83Å; L94-F99 HydrophobicContact CD1-CB 4.31Å; L94-F99 HydrophobicContact CD1-CD2 3.81Å; L94-F99 HydrophobicContact CD1-CE2 4.39Å; L94-F99 HydrophobicContact CD1-CG 4.17Å; L94-F99 HydrophobicContact CD2-CD1 4.37Å; L94-F99 HydrophobicContact CD2-CD2 4.39Å; L94-F99 HydrophobicContact CD2-CG 4.24Å; L94-C108 HydrophobicContact CD1-CB 4.26Å; L94-V109 HydrophobicContact CD1-CG2 3.9Å; L94-L153 HydrophobicContact CD2-CD1 4.39Å |
| 95 | V | 95.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 103.9 | 175.6 | -168.9 | 0 | 0 | 0 | 0 | 108.6 | F82 K97 K98 F99 C108 L115 | F82-V95 HydrophobicContact CD1-CB 4.37Å; F82-V95 HydrophobicContact CD1-CG1 4.29Å; F82-V95 HydrophobicContact CD1-CG2 3.99Å; F82-V95 HydrophobicContact CE1-CB 4.24Å; F82-V95 HydrophobicContact CE1-CG1 3.83Å; F82-V95 HydrophobicContact CE1-CG2 3.76Å; V95-K97 PolarHBondContact O-N 3.22Å; V95-K98 HydrophobicContact CB-CB 4.29Å; V95-K98 HydrophobicContact CB-CG 4.19Å; V95-K98 HydrophobicContact CG1-CB 4.41Å; V95-K98 HydrophobicContact CG1-CG 3.86Å; V95-K98 PolarHBondContact O-N 3.42Å; V95-K98 VanDerWaalsContact O-N 3.07Å; V95-F99 PolarHBondContact O-N 3.35Å; V95-C108 PolarHBondContact N-O 2.97Å; V95-L115 HydrophobicContact CG2-CD1 3.99Å |
| 96 | W | 93.2 | Very high | 93.4 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 28% | 0.284 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -62.4 | -44.5 | -168.2 | -175.4 | 51.2 | 0 | 0 | 0 | 113 | V81 Y83 L94 K98 F99 D154 Y156 | V81-W96 HydrophobicContact CB-CB 4.07Å; V81-W96 HydrophobicContact CB-CE3 3.98Å; V81-W96 HydrophobicContact CG1-CB 4.44Å; V81-W96 HydrophobicContact CG2-CE3 4.03Å; V81-W96 VanDerWaalsContact O-CB 3.28Å; V81-W96 WeakPolarHBondContact O-CB 3.43Å; V81-W96 PolarHBondContact O-N 2.69Å; Y83-W96 HydrophobicContact CD2-CB 3.98Å; Y83-W96 HydrophobicContact CD2-CG 4.4Å; Y83-W96 HydrophobicContact CE2-CB 3.73Å; Y83-W96 HydrophobicContact CE2-CD2 4.37Å; Y83-W96 AromaticContact CE2-CG 3.77Å; Y83-W96 HydrophobicContact CE2-CG 3.77Å; L94-W96 PolarHBondContact O-N 2.83Å; W96-K98 PolarHBondContact O-N 3.12Å; W96-F99 WeakPolarHBondContact O-CA 3.48Å; W96-F99 VanDerWaalsContact O-CB 3.27Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.86Å; W96-D154 PolarHBondContact NE1-O 2.87Å; W96-Y156 HydrophobicContact CE3-CD2 4.46Å; W96-Y156 HydrophobicContact CZ3-CD2 4.5Å; W96-Y156 WeakPolarHBondContact O-CB 3.36Å |
| 97 | K | 92.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -60.5 | -18.2 | 177.6 | -59.5 | -161.3 | -161 | 172.8 | 0 | 114.2 | E78 D80 V95 Y156 | E78-K97 PolarHBondContact O-NZ 3.25Å; E78-K97 WeakPolarHBondContact OE2-CE 3.44Å; E78-K97 IonicContact OE2-NZ 3.81Å; E78-K97 PolarHBondContact OE2-NZ 2.88Å; D80-K97 WeakPolarHBondContact OD1-CD 3.33Å; D80-K97 WeakPolarHBondContact OD1-CE 3.12Å; D80-K97 IonicContact OD1-NZ 2.84Å; D80-K97 PolarHBondContact OD1-NZ 2.94Å; V95-K97 PolarHBondContact O-N 3.22Å; K97-Y156 HydrophobicContact CG-CE2 4.23Å; K97-Y156 WeakPolarHBondContact O-CD1 3.44Å |
| 98 | K | 92.8 | Very high | 93.4 | Very high | 111 Ų | 111 | 52.4 Ų | 52.4 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -95.2 | -10.4 | 173.9 | -56 | -60.2 | -177.7 | -174.3 | 0 | 112.8 | V95 W96 V100 V106 C108 | V95-K98 HydrophobicContact CB-CB 4.29Å; V95-K98 HydrophobicContact CB-CG 4.19Å; V95-K98 HydrophobicContact CG1-CB 4.41Å; V95-K98 HydrophobicContact CG1-CG 3.86Å; V95-K98 PolarHBondContact O-N 3.42Å; V95-K98 VanDerWaalsContact O-N 3.07Å; W96-K98 PolarHBondContact O-N 3.12Å; K98-V100 VanDerWaalsContact C-N 3.27Å; K98-V100 PolarHBondContact O-N 3.44Å; K98-V106 VanDerWaalsContact O-CG1 3.25Å; K98-V106 WeakPolarHBondContact O-CG1 3.11Å; K98-C108 HydrophobicContact CB-CB 3.82Å; K98-C108 WeakPolarHBondContact O-CB 3.49Å |
| 99 | F | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -80.3 | 67.1 | -177.2 | -174.2 | -122.3 | 0 | 0 | 0 | 111.9 | L94 V95 W96 C108 W133 L144 M148 L153 F155 Y156 | L94-F99 HydrophobicContact CD1-CB 4.31Å; L94-F99 HydrophobicContact CD1-CD2 3.81Å; L94-F99 HydrophobicContact CD1-CE2 4.39Å; L94-F99 HydrophobicContact CD1-CG 4.17Å; L94-F99 HydrophobicContact CD2-CD1 4.37Å; L94-F99 HydrophobicContact CD2-CD2 4.39Å; L94-F99 HydrophobicContact CD2-CG 4.24Å; V95-F99 PolarHBondContact O-N 3.35Å; W96-F99 WeakPolarHBondContact O-CA 3.48Å; W96-F99 VanDerWaalsContact O-CB 3.27Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.86Å; F99-C108 HydrophobicContact CB-CB 4.37Å; F99-W133 AromaticContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CZ3 4.12Å; F99-W133 HydrophobicContact CZ-CH2 4.08Å; F99-W133 HydrophobicContact CZ-CZ3 4.48Å; F99-L144 HydrophobicContact CZ-CD2 4.39Å; F99-M148 HydrophobicContact CE1-CE 3.74Å; F99-M148 HydrophobicContact CE1-SD 4.35Å; F99-M148 HydrophobicContact CZ-CE 3.88Å; F99-M148 HydrophobicContact CZ-SD 4.06Å; F99-L153 HydrophobicContact CD1-CD2 3.98Å; F99-L153 HydrophobicContact CE1-CD2 3.66Å; F99-F155 AromaticContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CG 4.49Å; F99-F155 HydrophobicContact CD2-CD1 4.24Å; F99-F155 HydrophobicContact CD2-CE1 4.46Å; F99-F155 AromaticContact CE1-CD1 3.56Å; F99-F155 HydrophobicContact CE1-CD1 3.56Å; F99-F155 AromaticContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CG 4.21Å; F99-F155 AromaticContact CE2-CD1 3.99Å; F99-F155 HydrophobicContact CE2-CD1 3.99Å; F99-F155 AromaticContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CG-CD1 4.19Å; F99-F155 AromaticContact CZ-CD1 3.64Å; F99-F155 HydrophobicContact CZ-CD1 3.64Å; F99-F155 AromaticContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CZ 4.44Å; F99-F155 CarbonylContact O-C 3.58Å; F99-F155 VanDerWaalsContact O-CA 3.24Å; F99-F155 WeakPolarHBondContact O-CA 3.46Å; F99-F155 WeakPolarHBondContact O-CB 3.26Å; F99-Y156 PolarHBondContact O-N 2.86Å | ||
| 100 | V | 93.5 | Very high | 94 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | trans | -90.2 | 142.9 | -178.8 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | K98 G103 Y156 V161 | K98-V100 VanDerWaalsContact C-N 3.27Å; K98-V100 PolarHBondContact O-N 3.44Å; V100-G103 VanDerWaalsContact O-CA 3.23Å; V100-G103 WeakPolarHBondContact O-CA 3.48Å; V100-G103 PolarHBondContact O-N 2.96Å; V100-Y156 HydrophobicContact CG2-CD1 4.49Å; V100-V161 HydrophobicContact CG1-CB 4.34Å; V100-V161 HydrophobicContact CG1-CG1 3.72Å | ||
| 101 | C | 93.3 | Very high | 94 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 134 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | F155 V161 S163 C166 | C101-F155 HydrophobicContact CB-CB 4.03Å; C101-F155 HydrophobicContact CB-CD1 4.25Å; C101-F155 HydrophobicContact CB-CD2 3.79Å; C101-F155 HydrophobicContact CB-CE2 4.23Å; C101-F155 HydrophobicContact CB-CG 3.78Å; C101-V161 VanDerWaalsContact CB-O 3.31Å; C101-V161 WeakPolarHBondContact CB-O 3.38Å; C101-S163 PolarHBondContact SG-N 2.97Å; C101-S163 PolarHBondContact SG-OG 3.19Å; C101-C166 WeakPolarHBondContact SG-CB 2.94Å; C101-C166 VanDerWaalsContact SG-SG 3.63Å |
| 102 | P | 89.9 | Confident | 93.7 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 25% | 0.247 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.4 | 4.9 | 6.6 | 33.4 | -33.3 | 0 | 0 | 0 | 115.4 | I104 W133 F155 S163 C166 | P102-I104 HydrophobicContact CG-CG2 4.27Å; P102-I104 PolarHBondContact O-N 3.2Å; P102-W133 WeakPolarHBondContact O-CZ2 3.46Å; P102-F155 VanDerWaalsContact C-CE1 3.49Å; P102-F155 WeakPolarHBondContact O-CE1 3.48Å; P102-F155 WeakPolarHBondContact O-CZ 3.42Å; P102-S163 WeakPolarHBondContact CB-OG 3.42Å; P102-S163 WeakPolarHBondContact CD-OG 3.37Å; P102-C166 HydrophobicContact CB-CB 4.25Å |
| 103 | G | 91.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | 75.1 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V100 N105 V106 P118 | V100-G103 VanDerWaalsContact O-CA 3.23Å; V100-G103 WeakPolarHBondContact O-CA 3.48Å; V100-G103 PolarHBondContact O-N 2.96Å; G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.46Å; G103-V106 PolarHBondContact O-N 3.22Å; G103-P118 VanDerWaalsContact O-CD 3.27Å; G103-P118 WeakPolarHBondContact O-CD 3.33Å; G103-P118 WeakPolarHBondContact O-CG 3.41Å | ||
| 104 | I | 92.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -44.1 | -167.3 | -172.4 | 171.7 | 0 | 0 | 0 | 115.5 | P102 K119 W133 | P102-I104 HydrophobicContact CG-CG2 4.27Å; P102-I104 PolarHBondContact O-N 3.2Å; I104-K119 HydrophobicContact CG1-CB 4.07Å; I104-K119 HydrophobicContact CG1-CD 4.45Å; I104-K119 VanDerWaalsContact O-CB 3.23Å; I104-K119 WeakPolarHBondContact O-CB 3.27Å; I104-K119 PolarHBondContact O-N 3.09Å; I104-W133 HydrophobicContact CB-CZ2 4.27Å; I104-W133 HydrophobicContact CG1-CG 4.29Å |
| 105 | N | 93 | Very high | 93.1 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 5.6 | 179.9 | -56.4 | -39.9 | 0 | 0 | 0 | 112.6 | G103 | G103-N105 VanDerWaalsContact C-N 3.32Å; G103-N105 PolarHBondContact O-N 3.46Å |
| 106 | V | 94.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -84.7 | 128 | -178.3 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | K98 G103 C108 S117 P118 | K98-V106 VanDerWaalsContact O-CG1 3.25Å; K98-V106 WeakPolarHBondContact O-CG1 3.11Å; G103-V106 PolarHBondContact O-N 3.22Å; V106-C108 PolarHBondContact O-N 3.1Å; V106-C108 PolarHBondContact O-SG 2.97Å; V106-S117 WeakPolarHBondContact O-CA 3.35Å; V106-P118 WeakPolarHBondContact O-CD 3.24Å |
| 107 | K | 95.6 | Very high | 93.3 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | trans | -72 | 100.6 | 177.8 | -70 | -173.9 | 169.9 | -161.5 | 0 | 109.9 | L115 I116 | K107-L115 HydrophobicContact CB-CD2 4.11Å; K107-L115 HydrophobicContact CB-CG 4.09Å; K107-L115 WeakPolarHBondContact CD-O 3.44Å; K107-L115 WeakPolarHBondContact O-CD2 3.45Å; K107-I116 WeakPolarHBondContact CA-O 3.48Å | ||
| 108 | C | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -143.2 | -3.4 | -174.2 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | L94 V95 K98 F99 V106 I116 | L94-C108 HydrophobicContact CD1-CB 4.26Å; V95-C108 PolarHBondContact N-O 2.97Å; K98-C108 HydrophobicContact CB-CB 3.82Å; K98-C108 WeakPolarHBondContact O-CB 3.49Å; F99-C108 HydrophobicContact CB-CB 4.37Å; V106-C108 PolarHBondContact O-N 3.1Å; V106-C108 PolarHBondContact O-SG 2.97Å; C108-I116 PolarHBondContact N-O 3.41Å; C108-I116 VanDerWaalsContact N-O 3.08Å | ||
| 109 | V | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.9 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | I85 A92 T93 L94 L115 I116 P118 F121 | I85-V109 HydrophobicContact CD1-CG1 3.9Å; I85-V109 HydrophobicContact CD1-CG2 3.82Å; A92-V109 HydrophobicContact CB-CG1 3.51Å; T93-V109 CarbonylContact O-C 3.48Å; L94-V109 HydrophobicContact CD1-CG2 3.9Å; V109-L115 WeakPolarHBondContact O-CA 3.44Å; V109-I116 HydrophobicContact CB-CG1 4.21Å; V109-I116 HydrophobicContact CG1-CG1 4.29Å; V109-I116 PolarHBondContact N-O 3.46Å; V109-I116 WeakPolarHBondContact O-CG1 3.37Å; V109-I116 PolarHBondContact O-N 2.89Å; V109-P118 HydrophobicContact CG2-CG 4.12Å; V109-F121 HydrophobicContact CG1-CB 4.16Å; V109-F121 HydrophobicContact CG1-CD1 4.17Å; V109-F121 HydrophobicContact CG1-CD2 4.33Å; V109-F121 HydrophobicContact CG1-CG 3.97Å |
| 110 | Q | 95.4 | Very high | 93.5 | Very high | 73 Ų | 73 | 57.7 Ų | 57.7 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114 | 171 | -173.8 | 174.6 | 4.9 | 0 | 0 | 109 | A92 T93 Q114 L115 | A92-Q110 WeakPolarHBondContact CA-O 3.41Å; A92-Q110 WeakPolarHBondContact CB-O 3.29Å; T93-Q110 PolarHBondContact N-O 3.44Å; T93-Q110 PolarHBondContact O-N 3Å; Q110-Q114 WeakPolarHBondContact CA-O 3.34Å; Q110-L115 HydrophobicContact CB-CD1 4.46Å |
| 111 | F | 94.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 21% | 0.211 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122 | 179.6 | 178.9 | -111.6 | 0 | 0 | 0 | 108.8 | A90 K91 A92 D113 Q114 I116 F121 L124 | A90-F111 HydrophobicContact CB-CE2 4.11Å; A90-F111 HydrophobicContact CB-CZ 4.43Å; K91-F111 VanDerWaalsContact O-CD2 3.26Å; K91-F111 WeakPolarHBondContact O-CD2 3.43Å; K91-F111 WeakPolarHBondContact O-CE2 3.49Å; A92-F111 HydrophobicContact CB-CB 4.08Å; A92-F111 HydrophobicContact CB-CD2 3.96Å; A92-F111 HydrophobicContact CB-CG 4.49Å; F111-D113 VanDerWaalsContact C-N 3.31Å; F111-D113 PolarHBondContact O-N 2.87Å; F111-Q114 PolarHBondContact N-O 2.92Å; F111-Q114 PolarHBondContact O-N 3.43Å; F111-I116 HydrophobicContact CB-CD1 3.65Å; F111-I116 HydrophobicContact CB-CG1 4.11Å; F111-I116 HydrophobicContact CD1-CD1 4.07Å; F111-I116 HydrophobicContact CG-CD1 4.16Å; F111-F121 HydrophobicContact CB-CD2 4.4Å; F111-F121 HydrophobicContact CD2-CD2 4.07Å; F111-F121 AromaticContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CE2-CE2 4.04Å; F111-F121 HydrophobicContact CG-CD2 4.14Å; F111-F121 HydrophobicContact CG-CE2 4.29Å; F111-L124 HydrophobicContact CD1-CD1 3.97Å; F111-L124 HydrophobicContact CE1-CB 4.47Å; F111-L124 HydrophobicContact CE1-CD1 4.06Å |
| 112 | T | 89.3 | Confident | 93.6 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 71% | 0.712 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 53.7 | -177.6 | -43.2 | 0 | 0 | 0 | 0 | 111.7 | Q114 | T112-Q114 PolarHBondContact O-N 3.29Š|
| 113 | D | 86.8 | Confident | 93.8 | Very high | 147 Ų | 147 | 56.8 Ų | 56.8 | 79% | 0.786 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 8.2 | -177.8 | -56.2 | -43.2 | 0 | 0 | 0 | 117.1 | F111 | F111-D113 VanDerWaalsContact C-N 3.31Å; F111-D113 PolarHBondContact O-N 2.87Å |
| 114 | Q | 92.8 | Very high | 93.8 | Very high | 127 Ų | 127 | 62.2 Ų | 62.2 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136 | 173.4 | -170.6 | 170.5 | 100.8 | 0 | 0 | 112 | Q110 F111 T112 I116 | Q110-Q114 WeakPolarHBondContact CA-O 3.34Å; F111-Q114 PolarHBondContact N-O 2.92Å; F111-Q114 PolarHBondContact O-N 3.43Å; T112-Q114 PolarHBondContact O-N 3.29Å; Q114-I116 HydrophobicContact CB-CG2 4.4Å; Q114-I116 HydrophobicContact CG-CG2 3.96Å; Q114-I116 PolarHBondContact O-N 3.27Å |
| 115 | L | 94.8 | Very high | 93.8 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 109.7 | 173 | -164 | 74.6 | 0 | 0 | 0 | 110.6 | V95 K107 V109 Q110 | V95-L115 HydrophobicContact CG2-CD1 3.99Å; K107-L115 HydrophobicContact CB-CD2 4.11Å; K107-L115 HydrophobicContact CB-CG 4.09Å; K107-L115 WeakPolarHBondContact CD-O 3.44Å; K107-L115 WeakPolarHBondContact O-CD2 3.45Å; V109-L115 WeakPolarHBondContact O-CA 3.44Å; Q110-L115 HydrophobicContact CB-CD1 4.46Å |
| 116 | I | 96.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 167.8 | -177.4 | 64.1 | 172.2 | 0 | 0 | 0 | 111.5 | K107 C108 V109 F111 Q114 E120 F121 L124 | K107-I116 WeakPolarHBondContact CA-O 3.48Å; C108-I116 PolarHBondContact N-O 3.41Å; C108-I116 VanDerWaalsContact N-O 3.08Å; V109-I116 HydrophobicContact CB-CG1 4.21Å; V109-I116 HydrophobicContact CG1-CG1 4.29Å; V109-I116 PolarHBondContact N-O 3.46Å; V109-I116 WeakPolarHBondContact O-CG1 3.37Å; V109-I116 PolarHBondContact O-N 2.89Å; F111-I116 HydrophobicContact CB-CD1 3.65Å; F111-I116 HydrophobicContact CB-CG1 4.11Å; F111-I116 HydrophobicContact CD1-CD1 4.07Å; F111-I116 HydrophobicContact CG-CD1 4.16Å; Q114-I116 HydrophobicContact CB-CG2 4.4Å; Q114-I116 HydrophobicContact CG-CG2 3.96Å; Q114-I116 PolarHBondContact O-N 3.27Å; I116-E120 HydrophobicContact CB-CB 4.25Å; I116-F121 HydrophobicContact CD1-CB 3.74Å; I116-F121 HydrophobicContact CD1-CD2 4.29Å; I116-F121 HydrophobicContact CD1-CG 4.47Å; I116-F121 HydrophobicContact CG1-CB 4.37Å; I116-L124 HydrophobicContact CD1-CD1 3.78Å |
| 117 | S | 95.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | trans | -82.8 | 155.5 | 173.7 | 66 | 0 | 0 | 0 | 0 | 112.5 | V106 K119 E120 F121 | V106-S117 WeakPolarHBondContact O-CA 3.35Å; S117-K119 PolarHBondContact O-N 3.16Å; S117-E120 VanDerWaalsContact CB-OE2 3.26Å; S117-E120 WeakPolarHBondContact CB-OE2 3.43Å; S117-E120 PolarHBondContact N-OE2 2.98Å; S117-E120 PolarHBondContact O-N 3.24Å; S117-E120 VanDerWaalsContact O-N 3.1Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.26Å; S117-E120 PolarHBondContact OG-N 2.78Å; S117-E120 PolarHBondContact OG-OE2 3.21Å; S117-F121 PolarHBondContact O-N 3.41Å | ||
| 118 | P | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.8 | -35.7 | 172.9 | -28.1 | 35.2 | 0 | 0 | 0 | 113.4 | G103 V106 V109 V122 W133 I137 | G103-P118 VanDerWaalsContact O-CD 3.27Å; G103-P118 WeakPolarHBondContact O-CD 3.33Å; G103-P118 WeakPolarHBondContact O-CG 3.41Å; V106-P118 WeakPolarHBondContact O-CD 3.24Å; V109-P118 HydrophobicContact CG2-CG 4.12Å; P118-V122 VanDerWaalsContact O-CG2 3.28Å; P118-V122 WeakPolarHBondContact O-CG2 3.26Å; P118-V122 PolarHBondContact O-N 2.84Å; P118-W133 HydrophobicContact CB-CD2 4.12Å; P118-W133 HydrophobicContact CB-CE3 3.42Å; P118-W133 VanDerWaalsContact CB-CE3 3.42Å; P118-W133 HydrophobicContact CB-CH2 4.45Å; P118-W133 HydrophobicContact CB-CZ3 3.61Å; P118-W133 HydrophobicContact CG-CE3 4.24Å; P118-W133 HydrophobicContact CG-CH2 4.46Å; P118-W133 HydrophobicContact CG-CZ3 3.92Å; P118-I137 HydrophobicContact CB-CD1 3.83Å |
| 119 | K | 94.2 | Very high | 92.4 | Very high | 110 Ų | 110 | 62.8 Ų | 62.8 | 48% | 0.478 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 175.4 | -176.9 | -178 | 176.7 | -172.3 | 0 | 112.2 | I104 S117 F121 V122 C123 | I104-K119 HydrophobicContact CG1-CB 4.07Å; I104-K119 HydrophobicContact CG1-CD 4.45Å; I104-K119 VanDerWaalsContact O-CB 3.23Å; I104-K119 WeakPolarHBondContact O-CB 3.27Å; I104-K119 PolarHBondContact O-N 3.09Å; S117-K119 PolarHBondContact O-N 3.16Å; K119-F121 VanDerWaalsContact C-N 3.35Å; K119-V122 PolarHBondContact O-N 2.9Å; K119-C123 PolarHBondContact O-N 2.91Å; K119-C123 PolarHBondContact O-SG 2.97Å; K119-C123 VanDerWaalsContact O-SG 3.33Å |
| 120 | E | 94.8 | Very high | 91.8 | Very high | 87 Ų | 87 | 66.6 Ų | 66.6 | 41% | 0.407 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 176.2 | -71.9 | 158.6 | 145 | 0 | 0 | 110.9 | I116 S117 V122 C123 L124 | I116-E120 HydrophobicContact CB-CB 4.25Å; S117-E120 VanDerWaalsContact CB-OE2 3.26Å; S117-E120 WeakPolarHBondContact CB-OE2 3.43Å; S117-E120 PolarHBondContact N-OE2 2.98Å; S117-E120 PolarHBondContact O-N 3.24Å; S117-E120 VanDerWaalsContact O-N 3.1Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.26Å; S117-E120 PolarHBondContact OG-N 2.78Å; S117-E120 PolarHBondContact OG-OE2 3.21Å; E120-V122 PolarHBondContact O-N 3.05Å; E120-C123 WeakPolarHBondContact O-CB 3.39Å; E120-C123 PolarHBondContact O-N 3.3Å; E120-C123 VanDerWaalsContact O-N 3.15Å; E120-L124 WeakPolarHBondContact O-CG 3.48Å; E120-L124 PolarHBondContact O-N 2.88Å |
| 121 | F | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | 176.2 | 179.7 | -126.9 | 0 | 0 | 0 | 112.5 | I85 C87 A90 A92 V109 F111 I116 S117 K119 C123 L124 A125 I137 | I85-F121 HydrophobicContact CD1-CD1 4.06Å; I85-F121 HydrophobicContact CD1-CE1 3.82Å; I85-F121 HydrophobicContact CG1-CE1 4.26Å; C87-F121 HydrophobicContact CB-CD1 4.05Å; C87-F121 HydrophobicContact CB-CE1 3.42Å; C87-F121 VanDerWaalsContact CB-CE1 3.42Å; C87-F121 HydrophobicContact CB-CE2 4.49Å; C87-F121 HydrophobicContact CB-CZ 3.68Å; A90-F121 HydrophobicContact CB-CE2 3.86Å; A90-F121 HydrophobicContact CB-CZ 4.24Å; A92-F121 HydrophobicContact CB-CD2 4.06Å; A92-F121 HydrophobicContact CB-CE1 4.13Å; A92-F121 HydrophobicContact CB-CE2 3.5Å; A92-F121 HydrophobicContact CB-CZ 3.55Å; V109-F121 HydrophobicContact CG1-CB 4.16Å; V109-F121 HydrophobicContact CG1-CD1 4.17Å; V109-F121 HydrophobicContact CG1-CD2 4.33Å; V109-F121 HydrophobicContact CG1-CG 3.97Å; F111-F121 HydrophobicContact CB-CD2 4.4Å; F111-F121 HydrophobicContact CD2-CD2 4.07Å; F111-F121 AromaticContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CD2-CE2 3.75Å; F111-F121 HydrophobicContact CE2-CE2 4.04Å; F111-F121 HydrophobicContact CG-CD2 4.14Å; F111-F121 HydrophobicContact CG-CE2 4.29Å; I116-F121 HydrophobicContact CD1-CB 3.74Å; I116-F121 HydrophobicContact CD1-CD2 4.29Å; I116-F121 HydrophobicContact CD1-CG 4.47Å; I116-F121 HydrophobicContact CG1-CB 4.37Å; S117-F121 PolarHBondContact O-N 3.41Å; K119-F121 VanDerWaalsContact C-N 3.35Å; F121-C123 VanDerWaalsContact C-N 3.3Å; F121-C123 PolarHBondContact O-N 3.36Å; F121-L124 PolarHBondContact O-N 3.32Å; F121-A125 VanDerWaalsContact O-CB 3.24Å; F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 3.48Å; F121-I137 HydrophobicContact CD1-CD1 3.95Å; F121-I137 HydrophobicContact CD1-CG1 4.07Å; F121-I137 HydrophobicContact CE1-CG1 4.32Å |
| 122 | V | 94.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 72.8 Ų | 72.8 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 176 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | P118 K119 E120 K127 S128 W133 A136 I137 | P118-V122 VanDerWaalsContact O-CG2 3.28Å; P118-V122 WeakPolarHBondContact O-CG2 3.26Å; P118-V122 PolarHBondContact O-N 2.84Å; K119-V122 PolarHBondContact O-N 2.9Å; E120-V122 PolarHBondContact O-N 3.05Å; V122-K127 HydrophobicContact CG1-CB 4.07Å; V122-K127 WeakPolarHBondContact CG1-O 3.28Å; V122-K127 CarbonylContact O-C 3.42Å; V122-K127 PolarHBondContact O-N 3.47Å; V122-S128 PolarHBondContact O-N 2.92Å; V122-W133 HydrophobicContact CG2-CB 4.14Å; V122-A136 HydrophobicContact CG1-CB 3.85Å; V122-A136 HydrophobicContact CG2-CB 3.76Å; V122-I137 HydrophobicContact CG2-CD1 4.09Å; V122-I137 HydrophobicContact CG2-CG1 3.72Å |
| 123 | C | 93.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 45% | 0.446 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.7 | -47 | 173.2 | -70 | 0 | 0 | 0 | 0 | 112.8 | K119 E120 F121 A125 G126 | K119-C123 PolarHBondContact O-N 2.91Å; K119-C123 PolarHBondContact O-SG 2.97Å; K119-C123 VanDerWaalsContact O-SG 3.33Å; E120-C123 WeakPolarHBondContact O-CB 3.39Å; E120-C123 PolarHBondContact O-N 3.3Å; E120-C123 VanDerWaalsContact O-N 3.15Å; F121-C123 VanDerWaalsContact C-N 3.3Å; F121-C123 PolarHBondContact O-N 3.36Å; C123-A125 VanDerWaalsContact C-N 3.26Å; C123-A125 PolarHBondContact O-N 2.83Å; C123-G126 PolarHBondContact O-N 3.47Å; C123-G126 VanDerWaalsContact O-N 3.08Å |
| 124 | L | 91.8 | Very high | 91.6 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 60% | 0.597 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.5 | -34.7 | 177.9 | -69.1 | 171.9 | 0 | 0 | 0 | 112 | F111 I116 E120 F121 G126 | F111-L124 HydrophobicContact CD1-CD1 3.97Å; F111-L124 HydrophobicContact CE1-CB 4.47Å; F111-L124 HydrophobicContact CE1-CD1 4.06Å; I116-L124 HydrophobicContact CD1-CD1 3.78Å; E120-L124 WeakPolarHBondContact O-CG 3.48Å; E120-L124 PolarHBondContact O-N 2.88Å; F121-L124 PolarHBondContact O-N 3.32Å; L124-G126 PolarHBondContact O-N 3.24Å |
| 125 | A | 91.4 | Very high | 91.7 | Very high | 21 Ų | 21 | 62.4 Ų | 62.4 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 5.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | C87 A90 F121 C123 K127 | C87-A125 HydrophobicContact CB-CB 3.69Å; C87-A125 WeakPolarHBondContact O-CB 3.41Å; C87-A125 VanDerWaalsContact SG-CB 3.53Å; A90-A125 HydrophobicContact CB-CB 3.89Å; F121-A125 VanDerWaalsContact O-CB 3.24Å; F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 3.48Å; C123-A125 VanDerWaalsContact C-N 3.26Å; C123-A125 PolarHBondContact O-N 2.83Å; A125-K127 PolarHBondContact O-N 3.07Å; A125-K127 VanDerWaalsContact O-N 3.14Å |
| 126 | G | 89.9 | Confident | 91.6 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 11.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C123 L124 | C123-G126 PolarHBondContact O-N 3.47Å; C123-G126 VanDerWaalsContact O-N 3.08Å; L124-G126 PolarHBondContact O-N 3.24Å |
| 127 | K | 89.5 | Confident | 91.6 | Very high | 71 Ų | 71 | 59 Ų | 59 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | trans | -100.8 | 18.1 | -179.4 | -63 | -152.5 | -170.7 | -58.7 | 0 | 113.9 | V122 A125 T129 L130 A136 | V122-K127 HydrophobicContact CG1-CB 4.07Å; V122-K127 WeakPolarHBondContact CG1-O 3.28Å; V122-K127 CarbonylContact O-C 3.42Å; V122-K127 PolarHBondContact O-N 3.47Å; A125-K127 PolarHBondContact O-N 3.07Å; A125-K127 VanDerWaalsContact O-N 3.14Å; K127-T129 PolarHBondContact O-N 3.49Å; K127-T129 VanDerWaalsContact O-N 3.1Å; K127-L130 HydrophobicContact CB-CD1 4.4Å; K127-L130 HydrophobicContact CD-CD1 4.19Å; K127-L130 WeakPolarHBondContact O-CB 3.37Å; K127-L130 PolarHBondContact O-N 3.1Å; K127-A136 HydrophobicContact CB-CB 4.37Å | ||
| 128 | S | 85.8 | Confident | 91.5 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20 | 175.7 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | V122 L130 | V122-S128 PolarHBondContact O-N 2.92Å; S128-L130 PolarHBondContact O-N 3.09Å |
| 129 | T | 83.6 | Confident | 91.5 | Very high | 122 Ų | 122 | 64.3 Ų | 64.3 | 75% | 0.748 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.8 | 171.8 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | K127 K131 | K127-T129 PolarHBondContact O-N 3.49Å; K127-T129 VanDerWaalsContact O-N 3.1Å; T129-K131 PolarHBondContact O-N 3.38Å |
| 130 | L | 84.4 | Confident | 91.3 | Very high | 81 Ų | 81 | 65.3 Ų | 65.3 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | trans | -81.4 | 106.7 | 172.6 | -64.3 | 175.6 | 0 | 0 | 0 | 110 | K127 S128 D132 A136 | K127-L130 HydrophobicContact CB-CD1 4.4Å; K127-L130 HydrophobicContact CD-CD1 4.19Å; K127-L130 WeakPolarHBondContact O-CB 3.37Å; K127-L130 PolarHBondContact O-N 3.1Å; S128-L130 PolarHBondContact O-N 3.09Å; L130-D132 PolarHBondContact O-N 3.37Å; L130-D132 VanDerWaalsContact O-N 3.11Å; L130-A136 HydrophobicContact CB-CB 4.33Å; L130-A136 HydrophobicContact CD1-CB 3.96Å | ||
| 131 | K | 86.2 | Confident | 91.1 | Very high | 214 Ų | 214 | 63.1 Ų | 63.1 | 93% | 0.93 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -63.3 | -13.7 | 176.2 | -62.6 | -178.7 | -179.3 | 177.6 | 0 | 114.2 | T129 | T129-K131 PolarHBondContact O-N 3.38Š|
| 132 | D | 90.1 | Very high | 91 | Very high | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | trans | -108.4 | 95.6 | 177.9 | -172.5 | -17.5 | 0 | 0 | 0 | 110.6 | L130 K134 R135 A136 | L130-D132 PolarHBondContact O-N 3.37Å; L130-D132 VanDerWaalsContact O-N 3.11Å; D132-K134 PolarHBondContact O-N 3.4Å; D132-K134 WeakPolarHBondContact OD1-CB 3.49Å; D132-K134 PolarHBondContact OD1-N 3.29Å; D132-R135 HydrophobicContact CB-CB 4.23Å; D132-R135 HydrophobicContact CB-CG 4.24Å; D132-R135 PolarHBondContact O-N 3.11Å; D132-R135 VanDerWaalsContact O-N 3.11Å; D132-R135 PolarHBondContact OD1-N 3.35Å; D132-R135 WeakPolarHBondContact OD2-CD 3.24Å; D132-R135 VanDerWaalsContact OD2-CG 3.27Å; D132-R135 WeakPolarHBondContact OD2-CG 3.39Å; D132-A136 PolarHBondContact O-N 3.11Å; D132-A136 VanDerWaalsContact O-N 3.11Å | ||
| 133 | W | 92.4 | Very high | 91 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 8% | 0.076 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -28.5 | 178.9 | 67.9 | -88.4 | 0 | 0 | 0 | 113 | F99 P102 I104 P118 V122 R135 A136 I137 L144 F155 | F99-W133 AromaticContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CH2 3.81Å; F99-W133 HydrophobicContact CE2-CZ3 4.12Å; F99-W133 HydrophobicContact CZ-CH2 4.08Å; F99-W133 HydrophobicContact CZ-CZ3 4.48Å; P102-W133 WeakPolarHBondContact O-CZ2 3.46Å; I104-W133 HydrophobicContact CB-CZ2 4.27Å; I104-W133 HydrophobicContact CG1-CG 4.29Å; P118-W133 HydrophobicContact CB-CD2 4.12Å; P118-W133 HydrophobicContact CB-CE3 3.42Å; P118-W133 VanDerWaalsContact CB-CE3 3.42Å; P118-W133 HydrophobicContact CB-CH2 4.45Å; P118-W133 HydrophobicContact CB-CZ3 3.61Å; P118-W133 HydrophobicContact CG-CE3 4.24Å; P118-W133 HydrophobicContact CG-CH2 4.46Å; P118-W133 HydrophobicContact CG-CZ3 3.92Å; V122-W133 HydrophobicContact CG2-CB 4.14Å; W133-R135 VanDerWaalsContact C-N 3.28Å; W133-R135 PolarHBondContact O-N 3.44Å; W133-A136 PolarHBondContact O-N 3.27Å; W133-I137 HydrophobicContact CE3-CD1 4.06Å; W133-I137 WeakPolarHBondContact O-CG1 3.47Å; W133-I137 PolarHBondContact O-N 2.99Å; W133-I137 VanDerWaalsContact O-N 3.09Å; W133-L144 HydrophobicContact CZ3-CD2 3.89Å; W133-F155 HydrophobicContact CH2-CE1 4.44Å |
| 134 | K | 93.1 | Very high | 91 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 4% | 0.043 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.9 | -21.9 | 177.9 | -59.1 | -175.4 | 167.2 | -167.9 | 0 | 112.3 | D132 L144 R145 M148 C166 | D132-K134 PolarHBondContact O-N 3.4Å; D132-K134 WeakPolarHBondContact OD1-CB 3.49Å; D132-K134 PolarHBondContact OD1-N 3.29Å; K134-L144 PolarHBondContact O-N 3.49Å; K134-R145 HydrophobicContact CB-CB 3.79Å; K134-R145 HydrophobicContact CB-CG 4.47Å; K134-R145 WeakPolarHBondContact O-CB 3.44Å; K134-R145 PolarHBondContact O-N 3.15Å; K134-M148 HydrophobicContact CD-SD 3.99Å; K134-C166 PolarHBondContact NZ-O 3.11Å |
| 135 | R | 92.9 | Very high | 91.1 | Very high | 142 Ų | 142 | 61.8 Ų | 61.8 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -90.4 | -26.7 | 172.4 | -66.4 | 178.9 | 77.6 | -143.3 | 4.4 | 112.7 | D132 W133 R145 | D132-R135 HydrophobicContact CB-CB 4.23Å; D132-R135 HydrophobicContact CB-CG 4.24Å; D132-R135 PolarHBondContact O-N 3.11Å; D132-R135 VanDerWaalsContact O-N 3.11Å; D132-R135 PolarHBondContact OD1-N 3.35Å; D132-R135 WeakPolarHBondContact OD2-CD 3.24Å; D132-R135 VanDerWaalsContact OD2-CG 3.27Å; D132-R135 WeakPolarHBondContact OD2-CG 3.39Å; W133-R135 VanDerWaalsContact C-N 3.28Å; W133-R135 PolarHBondContact O-N 3.44Å; R135-R145 HydrophobicContact CG-CB 4.14Å; R135-R145 HydrophobicContact CG-CG 4.47Å |
| 136 | A | 94 | Very high | 91.1 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.7 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V122 K127 L130 D132 W133 | V122-A136 HydrophobicContact CG1-CB 3.85Å; V122-A136 HydrophobicContact CG2-CB 3.76Å; K127-A136 HydrophobicContact CB-CB 4.37Å; L130-A136 HydrophobicContact CB-CB 4.33Å; L130-A136 HydrophobicContact CD1-CB 3.96Å; D132-A136 PolarHBondContact O-N 3.11Å; D132-A136 VanDerWaalsContact O-N 3.11Å; W133-A136 PolarHBondContact O-N 3.27Å |
| 137 | I | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | trans | -79.9 | 139.2 | 177.3 | -59.9 | 178.2 | 0 | 0 | 0 | 110.8 | I85 T86 P118 F121 V122 W133 L144 | I85-I137 HydrophobicContact CB-CG2 3.9Å; I85-I137 HydrophobicContact CD1-CD1 4.46Å; I85-I137 HydrophobicContact CD1-CG2 3.8Å; I85-I137 HydrophobicContact CG1-CG2 4.43Å; I85-I137 HydrophobicContact CG2-CG2 4.2Å; T86-I137 WeakPolarHBondContact O-CA 3.28Å; P118-I137 HydrophobicContact CB-CD1 3.83Å; F121-I137 HydrophobicContact CD1-CD1 3.95Å; F121-I137 HydrophobicContact CD1-CG1 4.07Å; F121-I137 HydrophobicContact CE1-CG1 4.32Å; V122-I137 HydrophobicContact CG2-CD1 4.09Å; V122-I137 HydrophobicContact CG2-CG1 3.72Å; W133-I137 HydrophobicContact CE3-CD1 4.06Å; W133-I137 WeakPolarHBondContact O-CG1 3.47Å; W133-I137 PolarHBondContact O-N 2.99Å; W133-I137 VanDerWaalsContact O-N 3.09Å; I137-L144 HydrophobicContact CB-CB 4.32Å; I137-L144 HydrophobicContact CB-CD2 4.32Å; I137-L144 HydrophobicContact CG2-CB 4.28Å; I137-L144 HydrophobicContact CG2-CD2 4.14Å; I137-L144 PolarHBondContact O-N 2.82Å | ||
| 138 | R | 95 | Very high | 91.4 | Very high | 105 Ų | 105 | 62.3 Ų | 62.3 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.9 | 176.1 | -66.7 | 171.2 | 178.5 | -90.3 | -0.6 | 110.5 | I85 T86 G141 T142 | I85-R138 CarbonylContact C-O 3.52Å; I85-R138 VanDerWaalsContact CA-O 3.26Å; I85-R138 WeakPolarHBondContact CA-O 3.45Å; T86-R138 PolarHBondContact N-O 3.43Å; T86-R138 PolarHBondContact O-N 3.06Å; R138-G141 WeakPolarHBondContact CD-O 3.31Å; R138-G141 PolarHBondContact NH1-O 3.02Å; R138-T142 CarbonylContact C-O 3.45Å; R138-T142 WeakPolarHBondContact CA-O 3.47Å; R138-T142 WeakPolarHBondContact CB-O 3.37Å |
| 139 | L | 94.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.8 | 172.7 | -167.3 | 179.7 | 0 | 0 | 0 | 105.6 | Y83 I85 G141 T142 I147 L153 | Y83-L139 HydrophobicContact CD1-CD1 3.96Å; Y83-L139 HydrophobicContact CG-CD1 4.03Å; I85-L139 HydrophobicContact CG2-CB 4.09Å; I85-L139 HydrophobicContact CG2-CG 4.08Å; L139-G141 PolarHBondContact O-N 3.48Å; L139-G141 VanDerWaalsContact O-N 3.1Å; L139-T142 PolarHBondContact N-O 2.72Å; L139-T142 PolarHBondContact O-N 3.27Å; L139-I147 HydrophobicContact CB-CD1 3.6Å; L139-I147 HydrophobicContact CD1-CD1 4.19Å; L139-I147 HydrophobicContact CG-CD1 4.37Å; L139-L153 HydrophobicContact CD1-CD1 3.49Å; L139-L153 VanDerWaalsContact CD1-CD1 3.49Å |
| 140 | N | 90.8 | Very high | 91.9 | Very high | 131 Ų | 131 | 61.7 Ų | 61.7 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 37.5 | -172.7 | -59.9 | -18.3 | 0 | 0 | 0 | 113.4 | T142 | N140-T142 PolarHBondContact O-N 3.45Š|
| 141 | G | 90.4 | Very high | 92 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -21.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R138 L139 | R138-G141 WeakPolarHBondContact CD-O 3.31Å; R138-G141 PolarHBondContact NH1-O 3.02Å; L139-G141 PolarHBondContact O-N 3.48Å; L139-G141 VanDerWaalsContact O-N 3.1Å |
| 142 | T | 93.6 | Very high | 92.1 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 37% | 0.368 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 137.2 | 178.1 | -63 | 0 | 0 | 0 | 0 | 110.9 | R138 L139 N140 L144 K146 I147 | R138-T142 CarbonylContact C-O 3.45Å; R138-T142 WeakPolarHBondContact CA-O 3.47Å; R138-T142 WeakPolarHBondContact CB-O 3.37Å; L139-T142 PolarHBondContact N-O 2.72Å; L139-T142 PolarHBondContact O-N 3.27Å; N140-T142 PolarHBondContact O-N 3.45Å; T142-L144 PolarHBondContact O-N 3.4Å; T142-K146 HydrophobicContact CG2-CB 4.14Å; T142-K146 HydrophobicContact CG2-CD 4.04Å; T142-K146 HydrophobicContact CG2-CG 4.41Å; T142-I147 HydrophobicContact CG2-CD1 4.1Å; T142-I147 HydrophobicContact CG2-CG1 3.67Å |
| 143 | M | 93.8 | Very high | 92.1 | Very high | 64 Ų | 64 | 56 Ų | 56 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 128.9 | 177 | -69.1 | 173.3 | -76 | 0 | 0 | 110.5 | R145 K146 I147 | M143-R145 PolarHBondContact O-N 3.32Å; M143-R145 VanDerWaalsContact O-N 3.12Å; M143-K146 WeakPolarHBondContact O-CB 3.33Å; M143-K146 PolarHBondContact O-N 3.21Å; M143-I147 PolarHBondContact O-N 3.3Å |
| 144 | L | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.7 | -40.3 | -178.2 | 179.7 | 64.4 | 0 | 0 | 0 | 111.2 | F99 W133 K134 I137 T142 K146 I147 M148 L153 | F99-L144 HydrophobicContact CZ-CD2 4.39Å; W133-L144 HydrophobicContact CZ3-CD2 3.89Å; K134-L144 PolarHBondContact O-N 3.49Å; I137-L144 HydrophobicContact CB-CB 4.32Å; I137-L144 HydrophobicContact CB-CD2 4.32Å; I137-L144 HydrophobicContact CG2-CB 4.28Å; I137-L144 HydrophobicContact CG2-CD2 4.14Å; I137-L144 PolarHBondContact O-N 2.82Å; T142-L144 PolarHBondContact O-N 3.4Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 2.89Å; L144-I147 PolarHBondContact O-N 2.87Å; L144-I147 VanDerWaalsContact O-N 3.1Å; L144-M148 HydrophobicContact CD1-CG 4.39Å; L144-M148 HydrophobicContact CG-CG 4.31Å; L144-M148 HydrophobicContact CG-SD 4.35Å; L144-M148 WeakPolarHBondContact O-CG 3.43Å; L144-M148 PolarHBondContact O-N 3.1Å; L144-L153 HydrophobicContact CD1-CD2 4.27Å |
| 145 | R | 92.4 | Very high | 92.1 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 13% | 0.125 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -51.1 | -43.8 | 174.4 | -175.7 | 63.2 | -160.7 | -92.6 | -5.5 | 113.4 | K134 R135 M143 M148 D149 T169 | K134-R145 HydrophobicContact CB-CB 3.79Å; K134-R145 HydrophobicContact CB-CG 4.47Å; K134-R145 WeakPolarHBondContact O-CB 3.44Å; K134-R145 PolarHBondContact O-N 3.15Å; R135-R145 HydrophobicContact CG-CB 4.14Å; R135-R145 HydrophobicContact CG-CG 4.47Å; M143-R145 PolarHBondContact O-N 3.32Å; M143-R145 VanDerWaalsContact O-N 3.12Å; R145-M148 PolarHBondContact O-N 3.37Å; R145-D149 WeakPolarHBondContact CG-OD2 3.2Å; R145-D149 IonicContact CZ-OD1 3.55Å; R145-D149 IonicContact CZ-OD2 3.52Å; R145-D149 VanDerWaalsContact NE-CG 3.3Å; R145-D149 IonicContact NE-OD1 2.66Å; R145-D149 PolarHBondContact NE-OD1 2.95Å; R145-D149 IonicContact NE-OD2 3.54Å; R145-D149 PolarHBondContact NE-OD2 2.99Å; R145-D149 IonicContact NH2-OD1 3.29Å; R145-D149 PolarHBondContact NH2-OD1 3.08Å; R145-D149 IonicContact NH2-OD2 3.43Å; R145-D149 PolarHBondContact NH2-OD2 3.23Å; R145-D149 WeakPolarHBondContact O-CB 3.37Å; R145-D149 PolarHBondContact O-N 3.18Å; R145-T169 PolarHBondContact NH2-OG1 3.14Å |
| 146 | K | 92.8 | Very high | 92.1 | Very high | 136 Ų | 136 | 53.1 Ų | 53.1 | 59% | 0.591 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.6 | -37.1 | -179 | -173.8 | -178.2 | 176.8 | -171.4 | 0 | 111.7 | T142 M143 L144 D149 S150 | T142-K146 HydrophobicContact CG2-CB 4.14Å; T142-K146 HydrophobicContact CG2-CD 4.04Å; T142-K146 HydrophobicContact CG2-CG 4.41Å; M143-K146 WeakPolarHBondContact O-CB 3.33Å; M143-K146 PolarHBondContact O-N 3.21Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 2.89Å; K146-D149 PolarHBondContact O-N 2.8Å; K146-S150 WeakPolarHBondContact O-CB 3.22Å; K146-S150 PolarHBondContact O-N 2.76Å; K146-S150 PolarHBondContact O-OG 2.88Å |
| 147 | I | 92.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | 178.9 | -51.9 | 175 | 0 | 0 | 0 | 110.3 | L139 T142 M143 L144 S150 G151 E152 L153 | L139-I147 HydrophobicContact CB-CD1 3.6Å; L139-I147 HydrophobicContact CD1-CD1 4.19Å; L139-I147 HydrophobicContact CG-CD1 4.37Å; T142-I147 HydrophobicContact CG2-CD1 4.1Å; T142-I147 HydrophobicContact CG2-CG1 3.67Å; M143-I147 PolarHBondContact O-N 3.3Å; L144-I147 PolarHBondContact O-N 2.87Å; L144-I147 VanDerWaalsContact O-N 3.1Å; I147-S150 WeakPolarHBondContact CA-OG 3.41Å; I147-S150 PolarHBondContact O-N 2.83Å; I147-S150 PolarHBondContact O-OG 2.91Å; I147-G151 PolarHBondContact O-N 3.31Å; I147-E152 HydrophobicContact CG2-CB 3.78Å; I147-E152 HydrophobicContact CG2-CG 4.04Å; I147-E152 PolarHBondContact O-N 3.36Å; I147-L153 HydrophobicContact CG2-CB 3.7Å |
| 148 | M | 92.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 172.2 | -60.2 | -168.6 | 83.1 | 0 | 0 | 112.4 | F99 K134 L144 R145 S150 G151 L153 F155 | F99-M148 HydrophobicContact CE1-CE 3.74Å; F99-M148 HydrophobicContact CE1-SD 4.35Å; F99-M148 HydrophobicContact CZ-CE 3.88Å; F99-M148 HydrophobicContact CZ-SD 4.06Å; K134-M148 HydrophobicContact CD-SD 3.99Å; L144-M148 HydrophobicContact CD1-CG 4.39Å; L144-M148 HydrophobicContact CG-CG 4.31Å; L144-M148 HydrophobicContact CG-SD 4.35Å; L144-M148 WeakPolarHBondContact O-CG 3.43Å; L144-M148 PolarHBondContact O-N 3.1Å; R145-M148 PolarHBondContact O-N 3.37Å; M148-S150 VanDerWaalsContact C-N 3.25Å; M148-S150 PolarHBondContact O-N 2.8Å; M148-G151 PolarHBondContact O-N 2.91Å; M148-L153 VanDerWaalsContact CA-O 3.26Å; M148-L153 WeakPolarHBondContact CA-O 3.47Å; M148-L153 WeakPolarHBondContact CG-O 3.5Å; M148-F155 HydrophobicContact CE-CD1 4.11Å; M148-F155 HydrophobicContact CE-CD2 3.61Å; M148-F155 HydrophobicContact CE-CE1 3.91Å; M148-F155 HydrophobicContact CE-CE2 3.39Å; M148-F155 HydrophobicContact CE-CG 4Å; M148-F155 HydrophobicContact CE-CZ 3.58Å |
| 149 | D | 90.2 | Very high | 91.2 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.9 | -22.1 | 178.4 | -65.4 | -23.8 | 0 | 0 | 0 | 111.9 | R145 K146 | R145-D149 WeakPolarHBondContact CG-OD2 3.2Å; R145-D149 IonicContact CZ-OD1 3.55Å; R145-D149 IonicContact CZ-OD2 3.52Å; R145-D149 VanDerWaalsContact NE-CG 3.3Å; R145-D149 IonicContact NE-OD1 2.66Å; R145-D149 PolarHBondContact NE-OD1 2.95Å; R145-D149 IonicContact NE-OD2 3.54Å; R145-D149 PolarHBondContact NE-OD2 2.99Å; R145-D149 IonicContact NH2-OD1 3.29Å; R145-D149 PolarHBondContact NH2-OD1 3.08Å; R145-D149 IonicContact NH2-OD2 3.43Å; R145-D149 PolarHBondContact NH2-OD2 3.23Å; R145-D149 WeakPolarHBondContact O-CB 3.37Å; R145-D149 PolarHBondContact O-N 3.18Å; K146-D149 PolarHBondContact O-N 2.8Å |
| 150 | S | 89.6 | Confident | 90.9 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -9.1 | 173 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | K146 I147 M148 E152 | K146-S150 WeakPolarHBondContact O-CB 3.22Å; K146-S150 PolarHBondContact O-N 2.76Å; K146-S150 PolarHBondContact O-OG 2.88Å; I147-S150 WeakPolarHBondContact CA-OG 3.41Å; I147-S150 PolarHBondContact O-N 2.83Å; I147-S150 PolarHBondContact O-OG 2.91Å; M148-S150 VanDerWaalsContact C-N 3.25Å; M148-S150 PolarHBondContact O-N 2.8Å; S150-E152 VanDerWaalsContact C-N 3.29Å; S150-E152 PolarHBondContact O-N 2.79Å |
| 151 | G | 85.6 | Confident | 90.6 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 60% | 0.598 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 4.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I147 M148 L153 | I147-G151 PolarHBondContact O-N 3.31Å; M148-G151 PolarHBondContact O-N 2.91Å; G151-L153 VanDerWaalsContact C-N 3.33Å |
| 152 | E | 88.4 | Confident | 90.6 | Very high | 147 Ų | 147 | 62 Ų | 62 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -69.3 | -31.8 | 178.1 | 179.1 | -174.7 | 173.5 | 0 | 0 | 112 | I147 S150 | I147-E152 HydrophobicContact CG2-CB 3.78Å; I147-E152 HydrophobicContact CG2-CG 4.04Å; I147-E152 PolarHBondContact O-N 3.36Å; S150-E152 VanDerWaalsContact C-N 3.29Å; S150-E152 PolarHBondContact O-N 2.79Å |
| 153 | L | 90.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -143.7 | 116.6 | 171.9 | -176.2 | 163.4 | 0 | 0 | 0 | 109.2 | Y83 L94 F99 L139 L144 I147 M148 G151 | Y83-L153 HydrophobicContact CD1-CD1 3.99Å; Y83-L153 HydrophobicContact CD2-CD1 3.51Å; Y83-L153 HydrophobicContact CE1-CD1 4.07Å; Y83-L153 HydrophobicContact CE2-CD1 3.6Å; Y83-L153 HydrophobicContact CE2-CG 4.23Å; Y83-L153 HydrophobicContact CG-CD1 3.71Å; L94-L153 HydrophobicContact CD2-CD1 4.39Å; F99-L153 HydrophobicContact CD1-CD2 3.98Å; F99-L153 HydrophobicContact CE1-CD2 3.66Å; L139-L153 HydrophobicContact CD1-CD1 3.49Å; L139-L153 VanDerWaalsContact CD1-CD1 3.49Å; L144-L153 HydrophobicContact CD1-CD2 4.27Å; I147-L153 HydrophobicContact CG2-CB 3.7Å; M148-L153 VanDerWaalsContact CA-O 3.26Å; M148-L153 WeakPolarHBondContact CA-O 3.47Å; M148-L153 WeakPolarHBondContact CG-O 3.5Å; G151-L153 VanDerWaalsContact C-N 3.33Å |
| 154 | D | 91.9 | Very high | 89.8 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | trans | -116.1 | 175.2 | 172.2 | -158.5 | 2 | 0 | 0 | 0 | 111.2 | W96 H158 | W96-D154 PolarHBondContact NE1-O 2.87Å; D154-H158 IonicContact OD1-CE1 3.25Å; D154-H158 IonicContact OD1-CG 3.7Å; D154-H158 IonicContact OD1-ND1 2.74Å; D154-H158 PolarHBondContact OD1-ND1 2.87Å; D154-H158 IonicContact OD2-CE1 2.92Å; D154-H158 IonicContact OD2-CG 3.65Å; D154-H158 IonicContact OD2-ND1 2.89Å; D154-H158 PolarHBondContact OD2-ND1 2.87Å | ||
| 155 | F | 93.6 | Very high | 89.4 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | trans | -59.2 | 144.1 | 173.2 | -58.2 | -77 | 0 | 0 | 0 | 111.4 | F99 C101 P102 W133 M148 Q157 H158 C166 | F99-F155 AromaticContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CD1 3.85Å; F99-F155 HydrophobicContact CD1-CG 4.49Å; F99-F155 HydrophobicContact CD2-CD1 4.24Å; F99-F155 HydrophobicContact CD2-CE1 4.46Å; F99-F155 AromaticContact CE1-CD1 3.56Å; F99-F155 HydrophobicContact CE1-CD1 3.56Å; F99-F155 AromaticContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CE1 3.93Å; F99-F155 HydrophobicContact CE1-CG 4.21Å; F99-F155 AromaticContact CE2-CD1 3.99Å; F99-F155 HydrophobicContact CE2-CD1 3.99Å; F99-F155 AromaticContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CE2-CE1 3.83Å; F99-F155 HydrophobicContact CG-CD1 4.19Å; F99-F155 AromaticContact CZ-CD1 3.64Å; F99-F155 HydrophobicContact CZ-CD1 3.64Å; F99-F155 AromaticContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CE1 3.53Å; F99-F155 HydrophobicContact CZ-CZ 4.44Å; F99-F155 CarbonylContact O-C 3.58Å; F99-F155 VanDerWaalsContact O-CA 3.24Å; F99-F155 WeakPolarHBondContact O-CA 3.46Å; F99-F155 WeakPolarHBondContact O-CB 3.26Å; C101-F155 HydrophobicContact CB-CB 4.03Å; C101-F155 HydrophobicContact CB-CD1 4.25Å; C101-F155 HydrophobicContact CB-CD2 3.79Å; C101-F155 HydrophobicContact CB-CE2 4.23Å; C101-F155 HydrophobicContact CB-CG 3.78Å; P102-F155 VanDerWaalsContact C-CE1 3.49Å; P102-F155 WeakPolarHBondContact O-CE1 3.48Å; P102-F155 WeakPolarHBondContact O-CZ 3.42Å; W133-F155 HydrophobicContact CH2-CE1 4.44Å; M148-F155 HydrophobicContact CE-CD1 4.11Å; M148-F155 HydrophobicContact CE-CD2 3.61Å; M148-F155 HydrophobicContact CE-CE1 3.91Å; M148-F155 HydrophobicContact CE-CE2 3.39Å; M148-F155 HydrophobicContact CE-CG 4Å; M148-F155 HydrophobicContact CE-CZ 3.58Å; F155-Q157 PolarHBondContact O-N 3.12Å; F155-H158 HydrophobicContact CB-CB 4Å; F155-H158 AromaticContact CD2-CD2 3.88Å; F155-H158 AromaticContact CD2-CE1 3.74Å; F155-H158 AromaticContact CD2-CG 3.96Å; F155-H158 AromaticContact CD2-ND1 3.88Å; F155-H158 AromaticContact CD2-NE2 3.72Å; F155-H158 WeakPolarHBondContact O-CB 3.4Å; F155-H158 PolarHBondContact O-N 3.21Å; F155-H158 VanDerWaalsContact O-N 3.12Å; F155-C166 HydrophobicContact CE2-CB 3.53Å; F155-C166 HydrophobicContact CZ-CB 3.86Å | ||
| 156 | Y | 92.2 | Very high | 89 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 20% | 0.2 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 124.9 | 173.8 | -175.5 | -109.2 | 0 | 0 | 0 | 110.2 | W96 K97 F99 V100 H158 | W96-Y156 HydrophobicContact CE3-CD2 4.46Å; W96-Y156 HydrophobicContact CZ3-CD2 4.5Å; W96-Y156 WeakPolarHBondContact O-CB 3.36Å; K97-Y156 HydrophobicContact CG-CE2 4.23Å; K97-Y156 WeakPolarHBondContact O-CD1 3.44Å; F99-Y156 PolarHBondContact O-N 2.86Å; V100-Y156 HydrophobicContact CG2-CD1 4.49Å; Y156-H158 VanDerWaalsContact C-N 3.28Å; Y156-H158 PolarHBondContact O-N 3.09Å |
| 157 | Q | 89.5 | Confident | 88.5 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 32.9 | -176.4 | -55.9 | -177.6 | 8 | 0 | 0 | 115 | F155 G159 K160 V161 | F155-Q157 PolarHBondContact O-N 3.12Å; Q157-G159 VanDerWaalsContact C-N 3.26Å; Q157-G159 PolarHBondContact O-N 3.5Å; Q157-G159 VanDerWaalsContact O-N 3.09Å; Q157-K160 PolarHBondContact O-N 3.23Å; Q157-V161 PolarHBondContact O-N 3.33Å |
| 158 | H | 90.6 | Very high | 86.9 | Confident | 25 Ų | 25 | 73 Ų | 73 | 12% | 0.116 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -38.3 | -174.7 | -165.3 | -166.5 | 0 | 0 | 0 | 114.8 | D154 F155 Y156 K160 V161 C162 C166 | D154-H158 IonicContact OD1-CE1 3.25Å; D154-H158 IonicContact OD1-CG 3.7Å; D154-H158 IonicContact OD1-ND1 2.74Å; D154-H158 PolarHBondContact OD1-ND1 2.87Å; D154-H158 IonicContact OD2-CE1 2.92Å; D154-H158 IonicContact OD2-CG 3.65Å; D154-H158 IonicContact OD2-ND1 2.89Å; D154-H158 PolarHBondContact OD2-ND1 2.87Å; F155-H158 HydrophobicContact CB-CB 4Å; F155-H158 AromaticContact CD2-CD2 3.88Å; F155-H158 AromaticContact CD2-CE1 3.74Å; F155-H158 AromaticContact CD2-CG 3.96Å; F155-H158 AromaticContact CD2-ND1 3.88Å; F155-H158 AromaticContact CD2-NE2 3.72Å; F155-H158 WeakPolarHBondContact O-CB 3.4Å; F155-H158 PolarHBondContact O-N 3.21Å; F155-H158 VanDerWaalsContact O-N 3.12Å; Y156-H158 VanDerWaalsContact C-N 3.28Å; Y156-H158 PolarHBondContact O-N 3.09Å; H158-K160 PolarHBondContact O-N 3.28Å; H158-V161 CarbonylContact O-C 3.58Å; H158-V161 PolarHBondContact O-N 2.88Å; H158-C162 PolarHBondContact NE2-SG 3.19Å; H158-C162 WeakPolarHBondContact O-CB 3.46Å; H158-C166 PolarHBondContact NE2-SG 2.89Å |
| 159 | G | 86.3 | Confident | 84.9 | Confident | 88 Ų | 88 | 75.7 Ų | 75.7 | 91% | 0.907 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q157 | Q157-G159 VanDerWaalsContact C-N 3.26Å; Q157-G159 PolarHBondContact O-N 3.5Å; Q157-G159 VanDerWaalsContact O-N 3.09Å |
| 160 | K | 86.8 | Confident | 82.5 | Confident | 159 Ų | 159 | 79.1 Ų | 79.1 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -32.6 | 175 | -63.2 | -178.6 | 179.3 | -178.2 | 0 | 112.2 | Q157 H158 | Q157-K160 PolarHBondContact O-N 3.23Å; H158-K160 PolarHBondContact O-N 3.28Å |
| 161 | V | 85.2 | Confident | 80.6 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 38% | 0.376 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -127.2 | 84.8 | -175.6 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | V100 C101 Q157 H158 | V100-V161 HydrophobicContact CG1-CB 4.34Å; V100-V161 HydrophobicContact CG1-CG1 3.72Å; C101-V161 VanDerWaalsContact CB-O 3.31Å; C101-V161 WeakPolarHBondContact CB-O 3.38Å; Q157-V161 PolarHBondContact O-N 3.33Å; H158-V161 CarbonylContact O-C 3.58Å; H158-V161 PolarHBondContact O-N 2.88Å |
| 162 | C | 90.9 | Very high | 78.3 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 35% | 0.351 | 44% | 0.444 | S | S | . | . | trans | -116.3 | 130.6 | 173.4 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | H158 N164 | H158-C162 PolarHBondContact NE2-SG 3.19Å; H158-C162 WeakPolarHBondContact O-CB 3.46Å; C162-N164 VanDerWaalsContact C-N 3.34Å; C162-N164 PolarHBondContact SG-N 2.84Å; C162-N164 PolarHBondContact SG-OD1 3.48Å; C162-N164 VanDerWaalsContact SG-OD1 3.4Å | ||
| 163 | S | 85.3 | Confident | 76.2 | Confident | 45 Ų | 45 | 83.7 Ų | 83.7 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | trans | -87.4 | -0 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 114 | C101 P102 T165 | C101-S163 PolarHBondContact SG-N 2.97Å; C101-S163 PolarHBondContact SG-OG 3.19Å; P102-S163 WeakPolarHBondContact CB-OG 3.42Å; P102-S163 WeakPolarHBondContact CD-OG 3.37Å; S163-T165 PolarHBondContact O-N 3.32Å; S163-T165 PolarHBondContact O-OG1 3.01Å; S163-T165 PolarHBondContact OG-OG1 2.66Å | ||
| 164 | N | 84.4 | Confident | 74.2 | Confident | 134 Ų | 134 | 89.9 Ų | 89.9 | 72% | 0.717 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 53.9 | 3.9 | -174.6 | -63.9 | -38.6 | 0 | 0 | 0 | 116.5 | C162 | C162-N164 VanDerWaalsContact C-N 3.34Å; C162-N164 PolarHBondContact SG-N 2.84Å; C162-N164 PolarHBondContact SG-OD1 3.48Å; C162-N164 VanDerWaalsContact SG-OD1 3.4Å |
| 165 | T | 85.4 | Confident | 72 | Confident | 102 Ų | 102 | 90.6 Ų | 90.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | trans | -107.5 | 1.3 | 178.2 | 55 | 0 | 0 | 0 | 0 | 112.7 | S163 | S163-T165 PolarHBondContact O-N 3.32Å; S163-T165 PolarHBondContact O-OG1 3.01Å; S163-T165 PolarHBondContact OG-OG1 2.66Å | ||
| 166 | C | 84.5 | Confident | 69.3 | Low | 6 Ų | 6 | 96.6 Ų | 96.6 | 4% | 0.041 | 55% | 0.548 | C | S | . | . | trans | -78.2 | -19.2 | -176 | 66.7 | 0 | 0 | 0 | 0 | 115.1 | C101 P102 K134 F155 H158 S168 | C101-C166 WeakPolarHBondContact SG-CB 2.94Å; C101-C166 VanDerWaalsContact SG-SG 3.63Å; P102-C166 HydrophobicContact CB-CB 4.25Å; K134-C166 PolarHBondContact NZ-O 3.11Å; F155-C166 HydrophobicContact CE2-CB 3.53Å; F155-C166 HydrophobicContact CZ-CB 3.86Å; H158-C166 PolarHBondContact NE2-SG 2.89Å; C166-S168 PolarHBondContact O-N 3.3Å | ||
| 167 | R | 82.1 | Confident | 66.8 | Low | 166 Ų | 166 | 104.2 Ų | 104.2 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | trans | -94.8 | 90 | 177.5 | -69 | -167.6 | 175.4 | -141.2 | -2.8 | 109.2 | T169 | R167-T169 PolarHBondContact O-N 3.08Å; R167-T169 VanDerWaalsContact O-N 3.09Å | ||
| 168 | S | 60.1 | Low | 64.1 | Low | 78 Ų | 78 | 105.4 Ų | 105.4 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | trans | -77.2 | 13.5 | -173.1 | -46 | 0 | 0 | 0 | 0 | 115 | C166 | C166-S168 PolarHBondContact O-N 3.3Š| ||
| 169 | T | 48.9 | Very low | 61.3 | Low | 73 Ų | 73 | 108 Ų | 108 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -133.4 | 129.9 | 172.1 | 49.1 | 0 | 0 | 0 | 0 | 108.3 | R145 R167 I171 | R145-T169 PolarHBondContact NH2-OG1 3.14Å; R167-T169 PolarHBondContact O-N 3.08Å; R167-T169 VanDerWaalsContact O-N 3.09Å; T169-I171 PolarHBondContact O-N 3.38Å |
| 170 | K | 40.9 | Very low | 58.7 | Low | 175 Ų | 175 | 111.1 Ų | 111.1 | 76% | 0.761 | 62% | 0.618 | S | S | * | * | trans | -44 | 121.9 | 170.1 | -177.4 | -170.7 | 179.7 | -133.6 | 0 | 109.6 | D172 | K170-D172 IonicContact NZ-OD1 2.76Å; K170-D172 PolarHBondContact NZ-OD1 3.34Å; K170-D172 PolarHBondContact O-N 2.9Å | ||
| 171 | I | 49.4 | Very low | 56.1 | Low | 101 Ų | 101 | 108.6 Ų | 108.6 | 52% | 0.518 | 62% | 0.62 | S | S | . | * | trans | -72.3 | 111.1 | 165.2 | -68.8 | 166.9 | 0 | 0 | 0 | 105.5 | T169 L173 | T169-I171 PolarHBondContact O-N 3.38Å; I171-L173 HydrophobicContact CG2-CD1 4.07Å | ||
| 172 | D | 36.5 | Very low | 53.6 | Low | 113 Ų | 113 | 111.7 Ų | 111.7 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | trans | -74.4 | 128.2 | 154.8 | -86 | -27.1 | 0 | 0 | 0 | 107.1 | K170 V174 | K170-D172 IonicContact NZ-OD1 2.76Å; K170-D172 PolarHBondContact NZ-OD1 3.34Å; K170-D172 PolarHBondContact O-N 2.9Å; D172-V174 PolarHBondContact O-N 3.33Å | ||
| 173 | L | 45.1 | Very low | 50.9 | Low | 165 Ų | 165 | 115.6 Ų | 115.6 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -81.2 | 35.4 | -168.6 | -150.3 | 74.3 | 0 | 0 | 0 | 112.5 | I171 | I171-L173 HydrophobicContact CG2-CD1 4.07Š|
| 174 | V | 49.3 | Very low | 48.8 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | trans | -140.6 | 117.7 | -176.3 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | D172 | D172-V174 PolarHBondContact O-N 3.33Š| ||
| 175 | G | 44.2 | Very low | 47.2 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | trans | 102.6 | 60.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 176 | T | 36.7 | Very low | 44.6 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | -136.7 | 54.9 | 151.8 | -41.6 | 0 | 0 | 0 | 0 | 112.1 | V178 | T176-V178 VanDerWaalsContact C-N 3.29Å; T176-V178 HydrophobicContact CG2-CG2 3.84Å; T176-V178 PolarHBondContact O-N 3.2Å | ||
| 177 | K | 40.9 | Very low | 42 | Very low | 211 Ų | 211 | 124 Ų | 124 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -82 | 81.3 | 158.3 | -165.1 | -174.3 | -173.1 | -173 | 0 | 108 | S179 | K177-S179 PolarHBondContact O-N 3.16Š| ||
| 178 | V | 33.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 123 Ų | 123 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | -71.1 | 123.4 | 171.1 | 170.5 | 0 | 0 | 0 | 0 | 108.2 | T176 | T176-V178 VanDerWaalsContact C-N 3.29Å; T176-V178 HydrophobicContact CG2-CG2 3.84Å; T176-V178 PolarHBondContact O-N 3.2Å | ||
| 179 | S | 30.9 | Very low | 38.4 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 56% | 0.559 | 75% | 0.746 | S | S | * | * | trans | -61.4 | 132.8 | -179.5 | 162.4 | 0 | 0 | 0 | 0 | 111.7 | K177 S181 | K177-S179 PolarHBondContact O-N 3.16Å; S179-S181 WeakPolarHBondContact OG-CB 3.28Å; S179-S181 PolarHBondContact OG-N 3.05Å; S179-S181 PolarHBondContact OG-OG 3.49Å | ||
| 180 | V | 32.6 | Very low | 37.5 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | trans | -113.2 | 78.1 | 147.8 | -143.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 181 | S | 31.3 | Very low | 37 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -96.9 | 107.7 | 177.3 | -66.9 | 0 | 0 | 0 | 0 | 109.5 | S179 | S179-S181 WeakPolarHBondContact OG-CB 3.28Å; S179-S181 PolarHBondContact OG-N 3.05Å; S179-S181 PolarHBondContact OG-OG 3.49Å | ||
| 182 | C | 32.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 86% | 0.858 | 78% | 0.777 | S | S | * | * | trans | -106 | 113.1 | 158.3 | -152.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 183 | D | 33.5 | Very low | 35.8 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -71.7 | 147.7 | 174.6 | -133.4 | -55.5 | 0 | 0 | 0 | 109.3 | ||||
| 184 | P | 41.4 | Very low | 35.1 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | -141.7 | 170.3 | 89.9 | 31.5 | -11.9 | 0 | 0 | 0 | 115.3 | |||||
| 185 | P | 51.4 | Low | 34.4 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -107.5 | 165.6 | -150.7 | 40.4 | -37.4 | 0 | 0 | 0 | 115.8 | ||||
| 186 | A | 30.8 | Very low | 33.9 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -153.9 | 124.7 | 154 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 187 | D | 28.8 | Very low | 33.9 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 42 | 107.8 | 151.6 | -65.4 | -49 | 0 | 0 | 0 | 123.3 | ||||
| 188 | L | 34.3 | Very low | 33.8 | Very low | 144 Ų | 144 | 122 Ų | 122 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 38.5 | 116.3 | 111.7 | -56.7 | 173.9 | 0 | 0 | 0 | 118.7 | |||||
| 189 | L | 33.5 | Very low | 34 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | 177.3 | 152.9 | 94.7 | -88.8 | 179.7 | 0 | 0 | 0 | 112.2 | |||||
| 190 | S | 29.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -103.1 | 144.9 | 178.7 | -68.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 191 | A | 30 | Very low | 34.1 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -153.3 | 104.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 192 | S | 31 | Very low | 34.4 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | 62.8 | 104.8 | 88 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 193 | A | 29.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | 41 | 144.9 | 120.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 194 | S | 32.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | cis | 169.5 | 147.7 | -0.7 | 170 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 195 | S | 33.1 | Very low | 34.3 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 45.7 | 116 | 151.7 | 61.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 196 | A | 33.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | -167 | 146.3 | 117.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 197 | D | 36.2 | Very low | 33.4 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -64 | 161.1 | 179.6 | -53.5 | -98.9 | 0 | 0 | 0 | 114.6 | ||||
| 198 | L | 40.5 | Very low | 33.7 | Very low | 178 Ų | 178 | 124 Ų | 124 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | -166.1 | 151.9 | 119.9 | -79.5 | -155.1 | 0 | 0 | 0 | 111.2 | |||||
| 199 | N | 37.5 | Very low | 33.8 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -77 | 136.1 | -171.5 | -96.1 | -53.4 | 0 | 0 | 0 | 115.7 | ||||
| 200 | G | 34.2 | Very low | 33.9 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | 80.8 | 92.3 | 124.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 201 | A | 30.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -166.3 | 150 | 133.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 202 | A | 39.1 | Very low | 34.7 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -46.7 | 128.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 203 | V | 32.9 | Very low | 35.2 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -133.6 | 144 | 154.6 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 204 | S | 33.7 | Very low | 35.8 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 156 | -170 | -48.6 | 0 | 0 | 0 | 0 | 115.4 | P206 | S204-P206 WeakPolarHBondContact O-CD 3.12Š|
| 205 | L | 38.2 | Very low | 36.2 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 130.3 | 164.1 | -65.3 | 82.8 | 0 | 0 | 0 | 109.8 | ||
| 206 | P | 36 | Very low | 36.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 124.9 | 142.6 | 31.3 | -25.7 | 0 | 0 | 0 | 108 | S204 | S204-P206 WeakPolarHBondContact O-CD 3.12Š|
| 207 | D | 27.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -23.3 | 131.5 | 165.9 | -166.4 | 42.3 | 0 | 0 | 0 | 115.2 | T209 | D207-T209 PolarHBondContact O-N 3.01Š| ||
| 208 | V | 35.3 | Very low | 38.3 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | trans | -71.5 | 89.9 | 162.5 | 170.8 | 0 | 0 | 0 | 0 | 106.2 | E210 | V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 HydrophobicContact CG1-CG 3.96Å; V208-E210 PolarHBondContact O-N 3.42Å | ||
| 209 | T | 36.8 | Very low | 39.1 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | trans | -68.1 | 95.2 | 162.4 | -47.8 | 0 | 0 | 0 | 0 | 106.4 | D207 E211 | D207-T209 PolarHBondContact O-N 3.01Å; T209-E211 PolarHBondContact O-N 3.03Å | ||
| 210 | E | 34.9 | Very low | 40.6 | Very low | 165 Ų | 165 | 113.1 Ų | 113.1 | 77% | 0.771 | 68% | 0.68 | S | S | * | * | trans | -53.8 | 126.2 | 177 | -66.2 | -160 | 141.7 | 0 | 0 | 109.1 | V208 P212 | V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 HydrophobicContact CG1-CG 3.96Å; V208-E210 PolarHBondContact O-N 3.42Å; E210-P212 WeakPolarHBondContact O-CD 3.23Å | ||
| 211 | E | 33.9 | Very low | 42.6 | Very low | 159 Ų | 159 | 117.3 Ų | 117.3 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -56.2 | 113.9 | 176 | -172 | -179.5 | 159.2 | 0 | 0 | 107.7 | T209 S213 | T209-E211 PolarHBondContact O-N 3.03Å; E211-S213 PolarHBondContact O-N 2.97Å | ||
| 212 | P | 41.6 | Very low | 44.9 | Very low | 87 Ų | 87 | 119.1 Ų | 119.1 | 57% | 0.565 | 68% | 0.675 | S | S | * | * | trans | -63.2 | 111.9 | -173.4 | 24.8 | -32.9 | 0 | 0 | 0 | 107.3 | E210 V216 | E210-P212 WeakPolarHBondContact O-CD 3.23Å; P212-V216 HydrophobicContact CB-CB 4.42Å; P212-V216 HydrophobicContact CB-CG1 4.48Å; P212-V216 HydrophobicContact CB-CG2 4.34Å | ||
| 213 | S | 42.4 | Very low | 46.9 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 52% | 0.524 | 65% | 0.651 | S | S | . | * | trans | -57.8 | 153.2 | -154.6 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | E211 W215 V216 | E211-S213 PolarHBondContact O-N 2.97Å; S213-W215 PolarHBondContact O-N 3.11Å; S213-V216 PolarHBondContact O-N 3.03Å | ||
| 214 | E | 40.8 | Very low | 49.2 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | -8.1 | -166 | -55.2 | 171.1 | 157.7 | 0 | 0 | 117.9 | T217 | E214-T217 PolarHBondContact O-OG1 2.99Š|
| 215 | W | 41 | Very low | 51.7 | Low | 167 Ų | 167 | 112 Ų | 112 | 63% | 0.633 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -37.1 | 167.7 | 62.7 | -67.7 | 0 | 0 | 0 | 112.5 | S213 T217 T218 I219 | S213-W215 PolarHBondContact O-N 3.11Å; W215-T217 VanDerWaalsContact C-N 3.27Å; W215-T217 PolarHBondContact O-N 3.42Å; W215-T218 PolarHBondContact O-N 2.82Å; W215-T218 PolarHBondContact O-OG1 3.47Å; W215-I219 HydrophobicContact CE3-CD1 3.8Å; W215-I219 HydrophobicContact CZ3-CD1 4.12Å; W215-I219 PolarHBondContact O-N 3.41Å |
| 216 | V | 45.9 | Very low | 54.1 | Low | 52 Ų | 52 | 109.9 Ų | 109.9 | 32% | 0.315 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -31 | -177.4 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | P212 S213 T218 I219 | P212-V216 HydrophobicContact CB-CB 4.42Å; P212-V216 HydrophobicContact CB-CG1 4.48Å; P212-V216 HydrophobicContact CB-CG2 4.34Å; S213-V216 PolarHBondContact O-N 3.03Å; V216-T218 VanDerWaalsContact C-N 3.29Å; V216-T218 PolarHBondContact O-N 3.41Å; V216-I219 VanDerWaalsContact O-O 3.11Å |
| 217 | T | 52 | Low | 56.5 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 73% | 0.73 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -7.6 | 175.3 | 42.7 | 0 | 0 | 0 | 0 | 114.3 | E214 W215 | E214-T217 PolarHBondContact O-OG1 2.99Å; W215-T217 VanDerWaalsContact C-N 3.27Å; W215-T217 PolarHBondContact O-N 3.42Å |
| 218 | T | 49.2 | Very low | 59.3 | Low | 114 Ų | 114 | 110.7 Ų | 110.7 | 70% | 0.699 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -23.1 | 171.8 | 66 | 0 | 0 | 0 | 0 | 113.4 | W215 V216 G220 | W215-T218 PolarHBondContact O-N 2.82Å; W215-T218 PolarHBondContact O-OG1 3.47Å; V216-T218 VanDerWaalsContact C-N 3.29Å; V216-T218 PolarHBondContact O-N 3.41Å; T218-G220 PolarHBondContact O-N 3.06Å; T218-G220 VanDerWaalsContact O-N 3.16Å |
| 219 | I | 57.7 | Low | 61.8 | Low | 68 Ų | 68 | 107.6 Ų | 107.6 | 35% | 0.349 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -75.8 | 99.2 | 166.9 | -62.3 | 172.2 | 0 | 0 | 0 | 106.3 | W215 V216 V224 | W215-I219 HydrophobicContact CE3-CD1 3.8Å; W215-I219 HydrophobicContact CZ3-CD1 4.12Å; W215-I219 PolarHBondContact O-N 3.41Å; V216-I219 VanDerWaalsContact O-O 3.11Å; I219-V224 HydrophobicContact CG2-CG2 4.05Å |
| 220 | G | 68.6 | Low | 64.2 | Low | 39 Ų | 39 | 103 Ų | 103 | 40% | 0.402 | 54% | 0.539 | S | S | . | . | trans | -50.6 | 144 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T218 D222 S223 | T218-G220 PolarHBondContact O-N 3.06Å; T218-G220 VanDerWaalsContact O-N 3.16Å; G220-D222 PolarHBondContact O-N 3.35Å; G220-S223 WeakPolarHBondContact O-CA 3.21Å; G220-S223 VanDerWaalsContact O-CB 3.28Å; G220-S223 WeakPolarHBondContact O-CB 3.27Å; G220-S223 PolarHBondContact O-N 2.95Å | ||
| 221 | E | 76.3 | Confident | 66.7 | Low | 164 Ų | 164 | 102.1 Ų | 102.1 | 77% | 0.766 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -54.1 | -34.5 | -171.8 | -166.5 | 163.3 | -173.4 | 0 | 0 | 112.4 | S223 V224 V225 | E221-S223 VanDerWaalsContact C-N 3.29Å; E221-S223 PolarHBondContact O-N 3.39Å; E221-V224 WeakPolarHBondContact O-CB 3.28Å; E221-V224 PolarHBondContact O-N 2.91Å; E221-V225 WeakPolarHBondContact O-CG2 3.26Å; E221-V225 PolarHBondContact O-N 3.45Å |
| 222 | D | 78.1 | Confident | 69.3 | Low | 139 Ų | 139 | 101.8 Ų | 101.8 | 74% | 0.743 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.1 | -35.9 | 172.1 | -56.6 | -49.5 | 0 | 0 | 0 | 114 | G220 V225 F226 | G220-D222 PolarHBondContact O-N 3.35Å; D222-V225 PolarHBondContact O-N 3.4Å; D222-F226 WeakPolarHBondContact O-CB 3.41Å; D222-F226 PolarHBondContact O-N 2.89Å |
| 223 | S | 82.6 | Confident | 71.6 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.2 | -35 | 176.3 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | G220 E221 F226 W227 | G220-S223 WeakPolarHBondContact O-CA 3.21Å; G220-S223 VanDerWaalsContact O-CB 3.28Å; G220-S223 WeakPolarHBondContact O-CB 3.27Å; G220-S223 PolarHBondContact O-N 2.95Å; E221-S223 VanDerWaalsContact C-N 3.29Å; E221-S223 PolarHBondContact O-N 3.39Å; S223-F226 PolarHBondContact O-N 3.42Å; S223-W227 PolarHBondContact O-N 3.15Å |
| 224 | V | 80.4 | Confident | 73.8 | Confident | 63 Ų | 63 | 100 Ų | 100 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | I219 E221 R228 | I219-V224 HydrophobicContact CG2-CG2 4.05Å; E221-V224 WeakPolarHBondContact O-CB 3.28Å; E221-V224 PolarHBondContact O-N 2.91Å; V224-R228 VanDerWaalsContact O-CB 3.26Å; V224-R228 WeakPolarHBondContact O-CB 3.46Å; V224-R228 PolarHBondContact O-N 3.07Å |
| 225 | V | 86.3 | Confident | 76.1 | Confident | 86 Ų | 86 | 96.3 Ų | 96.3 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 171.9 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | E221 D222 R228 A229 | E221-V225 WeakPolarHBondContact O-CG2 3.26Å; E221-V225 PolarHBondContact O-N 3.45Å; D222-V225 PolarHBondContact O-N 3.4Å; V225-R228 WeakPolarHBondContact O-CB 3.5Å; V225-R228 PolarHBondContact O-N 2.93Å; V225-A229 PolarHBondContact O-N 3.46Å |
| 226 | F | 87.8 | Confident | 78.4 | Confident | 114 Ų | 114 | 90.8 Ų | 90.8 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -54.4 | 174.1 | 169.6 | -97.8 | 0 | 0 | 0 | 112 | D222 S223 R228 A229 V230 | D222-F226 WeakPolarHBondContact O-CB 3.41Å; D222-F226 PolarHBondContact O-N 2.89Å; S223-F226 PolarHBondContact O-N 3.42Å; F226-R228 PolarHBondContact O-N 2.81Å; F226-A229 WeakPolarHBondContact O-CB 3.45Å; F226-A229 PolarHBondContact O-N 2.76Å; F226-V230 HydrophobicContact CD1-CG2 4.38Å; F226-V230 HydrophobicContact CD2-CG2 4.34Å; F226-V230 HydrophobicContact CE1-CG2 3.93Å; F226-V230 HydrophobicContact CE2-CG2 3.89Å; F226-V230 HydrophobicContact CZ-CG2 3.67Å; F226-V230 WeakPolarHBondContact O-CG2 3.27Å; F226-V230 PolarHBondContact O-N 2.9Å |
| 227 | W | 87.7 | Confident | 80.4 | Confident | 119 Ų | 119 | 94.6 Ų | 94.6 | 45% | 0.451 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -29.5 | 179.5 | -74.7 | 114.5 | 0 | 0 | 0 | 112.8 | S223 V230 K231 L236 V239 | S223-W227 PolarHBondContact O-N 3.15Å; W227-V230 HydrophobicContact CE3-CB 4.38Å; W227-V230 HydrophobicContact CE3-CG1 4.29Å; W227-V230 HydrophobicContact CZ3-CG1 4.36Å; W227-K231 VanDerWaalsContact O-CB 3.29Å; W227-K231 WeakPolarHBondContact O-CB 3.38Å; W227-K231 PolarHBondContact O-N 3.03Å; W227-L236 HydrophobicContact CE3-CD1 3.66Å; W227-L236 HydrophobicContact CZ3-CD1 3.89Å; W227-V239 HydrophobicContact CH2-CG1 3.81Å; W227-V239 HydrophobicContact CZ3-CG1 3.81Å |
| 228 | R | 85.8 | Confident | 82.2 | Confident | 148 Ų | 148 | 94.3 Ų | 94.3 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 169.2 | -177.3 | -174.7 | -58.8 | -110.1 | 1.4 | 111.7 | V224 V225 F226 K231 E232 | V224-R228 VanDerWaalsContact O-CB 3.26Å; V224-R228 WeakPolarHBondContact O-CB 3.46Å; V224-R228 PolarHBondContact O-N 3.07Å; V225-R228 WeakPolarHBondContact O-CB 3.5Å; V225-R228 PolarHBondContact O-N 2.93Å; F226-R228 PolarHBondContact O-N 2.81Å; R228-K231 WeakPolarHBondContact O-CB 3.25Å; R228-K231 PolarHBondContact O-N 3.1Å; R228-E232 HydrophobicContact CG-CG 4.49Å; R228-E232 VanDerWaalsContact CG-OE1 3.26Å; R228-E232 WeakPolarHBondContact CG-OE1 3.14Å; R228-E232 WeakPolarHBondContact O-CB 3.05Å; R228-E232 WeakPolarHBondContact O-CG 3.45Å; R228-E232 PolarHBondContact O-N 2.62Å |
| 229 | A | 87.3 | Confident | 84.2 | Confident | 52 Ų | 52 | 91.8 Ų | 91.8 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V225 F226 K231 E232 A233 | V225-A229 PolarHBondContact O-N 3.46Å; F226-A229 WeakPolarHBondContact O-CB 3.45Å; F226-A229 PolarHBondContact O-N 2.76Å; A229-K231 VanDerWaalsContact C-N 3.32Å; A229-K231 PolarHBondContact O-N 3.44Å; A229-E232 PolarHBondContact O-N 2.88Å; A229-A233 WeakPolarHBondContact O-CB 3.23Å; A229-A233 PolarHBondContact O-N 3.06Å |
| 230 | V | 87.8 | Confident | 85.6 | Confident | 21 Ų | 21 | 91.8 Ų | 91.8 | 13% | 0.127 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | F226 W227 A233 G234 L235 L236 | F226-V230 HydrophobicContact CD1-CG2 4.38Å; F226-V230 HydrophobicContact CD2-CG2 4.34Å; F226-V230 HydrophobicContact CE1-CG2 3.93Å; F226-V230 HydrophobicContact CE2-CG2 3.89Å; F226-V230 HydrophobicContact CZ-CG2 3.67Å; F226-V230 WeakPolarHBondContact O-CG2 3.27Å; F226-V230 PolarHBondContact O-N 2.9Å; W227-V230 HydrophobicContact CE3-CB 4.38Å; W227-V230 HydrophobicContact CE3-CG1 4.29Å; W227-V230 HydrophobicContact CZ3-CG1 4.36Å; V230-A233 PolarHBondContact O-N 3.2Å; V230-G234 PolarHBondContact O-N 3.33Å; V230-L235 HydrophobicContact CG1-CB 4.23Å; V230-L235 PolarHBondContact O-N 3.26Å; V230-L235 VanDerWaalsContact O-N 3.15Å; V230-L236 HydrophobicContact CG1-CB 4.39Å; V230-L236 HydrophobicContact CG1-CD1 4.43Å |
| 231 | K | 87.8 | Confident | 86.6 | Confident | 145 Ų | 145 | 95.8 Ų | 95.8 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.6 | -43.4 | 173.6 | -174.7 | 178.3 | 177.9 | 176.4 | 0 | 112.8 | W227 R228 A229 A233 G234 L236 | W227-K231 VanDerWaalsContact O-CB 3.29Å; W227-K231 WeakPolarHBondContact O-CB 3.38Å; W227-K231 PolarHBondContact O-N 3.03Å; R228-K231 WeakPolarHBondContact O-CB 3.25Å; R228-K231 PolarHBondContact O-N 3.1Å; A229-K231 VanDerWaalsContact C-N 3.32Å; A229-K231 PolarHBondContact O-N 3.44Å; K231-A233 VanDerWaalsContact C-N 3.28Å; K231-A233 PolarHBondContact O-N 3.21Å; K231-G234 PolarHBondContact O-N 3.18Å; K231-L236 HydrophobicContact CB-CB 4.37Å; K231-L236 HydrophobicContact CB-CD2 4.06Å; K231-L236 HydrophobicContact CD-CD2 4.18Å; K231-L236 HydrophobicContact CG-CD2 3.97Å |
| 232 | E | 89.4 | Confident | 87.2 | Confident | 152 Ų | 152 | 92.3 Ų | 92.3 | 71% | 0.71 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.3 | -27.7 | 177.5 | -73.9 | 172.3 | -167.7 | 0 | 0 | 112.1 | R228 A229 G234 | R228-E232 HydrophobicContact CG-CG 4.49Å; R228-E232 VanDerWaalsContact CG-OE1 3.26Å; R228-E232 WeakPolarHBondContact CG-OE1 3.14Å; R228-E232 WeakPolarHBondContact O-CB 3.05Å; R228-E232 WeakPolarHBondContact O-CG 3.45Å; R228-E232 PolarHBondContact O-N 2.62Å; A229-E232 PolarHBondContact O-N 2.88Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 2.95Å |
| 233 | A | 88.8 | Confident | 87.6 | Confident | 65 Ų | 65 | 91.6 Ų | 91.6 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A229 V230 K231 L235 | A229-A233 WeakPolarHBondContact O-CB 3.23Å; A229-A233 PolarHBondContact O-N 3.06Å; V230-A233 PolarHBondContact O-N 3.2Å; K231-A233 VanDerWaalsContact C-N 3.28Å; K231-A233 PolarHBondContact O-N 3.21Å; A233-L235 HydrophobicContact CB-CD1 4.17Å; A233-L235 HydrophobicContact CB-CG 4.25Å; A233-L235 PolarHBondContact O-N 3.07Å |
| 234 | G | 88.6 | Confident | 87.7 | Confident | 59 Ų | 59 | 94.3 Ų | 94.3 | 61% | 0.608 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 2.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V230 K231 E232 L236 | V230-G234 PolarHBondContact O-N 3.33Å; K231-G234 PolarHBondContact O-N 3.18Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 2.95Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.02Å |
| 235 | L | 90 | Very high | 88.2 | Confident | 83 Ų | 83 | 96.7 Ų | 96.7 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2.4 | -175.2 | -63.3 | 171.7 | 0 | 0 | 0 | 113.6 | V230 A233 E237 E238 V239 | V230-L235 HydrophobicContact CG1-CB 4.23Å; V230-L235 PolarHBondContact O-N 3.26Å; V230-L235 VanDerWaalsContact O-N 3.15Å; A233-L235 HydrophobicContact CB-CD1 4.17Å; A233-L235 HydrophobicContact CB-CG 4.25Å; A233-L235 PolarHBondContact O-N 3.07Å; L235-E237 PolarHBondContact O-N 3.28Å; L235-E238 WeakPolarHBondContact CD2-OE2 3.49Å; L235-E238 PolarHBondContact O-N 2.91Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.06Å |
| 236 | L | 88.3 | Confident | 88.3 | Confident | 52 Ų | 52 | 98.5 Ų | 98.5 | 27% | 0.272 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | -175.3 | -176 | 68 | 0 | 0 | 0 | 112.9 | W227 V230 K231 G234 V240 | W227-L236 HydrophobicContact CE3-CD1 3.66Å; W227-L236 HydrophobicContact CZ3-CD1 3.89Å; V230-L236 HydrophobicContact CG1-CB 4.39Å; V230-L236 HydrophobicContact CG1-CD1 4.43Å; K231-L236 HydrophobicContact CB-CB 4.37Å; K231-L236 HydrophobicContact CB-CD2 4.06Å; K231-L236 HydrophobicContact CD-CD2 4.18Å; K231-L236 HydrophobicContact CG-CD2 3.97Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.02Å; L236-V240 HydrophobicContact CD1-CG2 4.36Å; L236-V240 HydrophobicContact CG-CG2 4.49Å; L236-V240 WeakPolarHBondContact O-CB 3.16Å; L236-V240 VanDerWaalsContact O-CG2 3.22Å; L236-V240 WeakPolarHBondContact O-CG2 3.37Å; L236-V240 PolarHBondContact O-N 3.24Å |
| 237 | E | 88.1 | Confident | 88 | Confident | 132 Ų | 132 | 94 Ų | 94 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.1 | -48.1 | -179.5 | -157.4 | 69.8 | -154.6 | 0 | 0 | 110.6 | L235 V239 V240 E241 | L235-E237 PolarHBondContact O-N 3.28Å; E237-V239 PolarHBondContact O-N 3.4Å; E237-V240 PolarHBondContact O-N 3.5Å; E237-V240 VanDerWaalsContact O-N 3.11Å; E237-E241 WeakPolarHBondContact O-CG 3.42Å; E237-E241 PolarHBondContact O-N 2.84Å |
| 238 | E | 90.5 | Very high | 87.9 | Confident | 113 Ų | 113 | 93.9 Ų | 93.9 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 177.5 | -173.2 | 173.6 | -161.8 | 0 | 0 | 111.6 | L235 V240 E241 D242 | L235-E238 WeakPolarHBondContact CD2-OE2 3.49Å; L235-E238 PolarHBondContact O-N 2.91Å; E238-V240 VanDerWaalsContact C-N 3.34Å; E238-V240 PolarHBondContact O-N 2.97Å; E238-E241 PolarHBondContact O-N 3.37Å; E238-D242 WeakPolarHBondContact O-CB 3.47Å; E238-D242 PolarHBondContact O-N 3.4Å |
| 239 | V | 90.9 | Very high | 88.1 | Confident | 61 Ų | 61 | 92.5 Ų | 92.5 | 37% | 0.37 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -33.5 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | W227 L235 E237 F243 | W227-V239 HydrophobicContact CH2-CG1 3.81Å; W227-V239 HydrophobicContact CZ3-CG1 3.81Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.06Å; E237-V239 PolarHBondContact O-N 3.4Å; V239-F243 WeakPolarHBondContact O-CB 3.25Å; V239-F243 PolarHBondContact O-N 2.95Å |
| 240 | V | 87.1 | Confident | 87.8 | Confident | 68 Ų | 68 | 93.6 Ų | 93.6 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74.9 | -39.9 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | L236 E237 E238 Q244 | L236-V240 HydrophobicContact CD1-CG2 4.36Å; L236-V240 HydrophobicContact CG-CG2 4.49Å; L236-V240 WeakPolarHBondContact O-CB 3.16Å; L236-V240 VanDerWaalsContact O-CG2 3.22Å; L236-V240 WeakPolarHBondContact O-CG2 3.37Å; L236-V240 PolarHBondContact O-N 3.24Å; E237-V240 PolarHBondContact O-N 3.5Å; E237-V240 VanDerWaalsContact O-N 3.11Å; E238-V240 VanDerWaalsContact C-N 3.34Å; E238-V240 PolarHBondContact O-N 2.97Å; V240-Q244 VanDerWaalsContact O-CB 3.24Å; V240-Q244 WeakPolarHBondContact O-CB 3.39Å; V240-Q244 PolarHBondContact O-N 3.16Å |
| 241 | E | 90.1 | Very high | 87.4 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64 | -46 | 173.8 | -73.6 | -170.8 | 159.3 | 0 | 0 | 111.4 | E237 E238 Q244 K245 | E237-E241 WeakPolarHBondContact O-CG 3.42Å; E237-E241 PolarHBondContact O-N 2.84Å; E238-E241 PolarHBondContact O-N 3.37Å; E241-Q244 PolarHBondContact O-N 3.09Å; E241-K245 VanDerWaalsContact O-CB 3.26Å; E241-K245 WeakPolarHBondContact O-CB 3.2Å; E241-K245 PolarHBondContact O-N 3.5Å |
| 242 | D | 88.8 | Confident | 87.3 | Confident | 92 Ų | 92 | 95 Ų | 95 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 175.5 | -86.5 | -19.1 | 0 | 0 | 0 | 111.7 | E238 Q244 K245 E246 | E238-D242 WeakPolarHBondContact O-CB 3.47Å; E238-D242 PolarHBondContact O-N 3.4Å; D242-Q244 PolarHBondContact O-N 2.89Å; D242-K245 PolarHBondContact O-N 3.41Å; D242-E246 WeakPolarHBondContact O-CB 3.32Å; D242-E246 PolarHBondContact O-N 2.98Å |
| 243 | F | 86.1 | Confident | 86.9 | Confident | 124 Ų | 124 | 88.5 Ų | 88.5 | 54% | 0.544 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.4 | 177.4 | -103.2 | 0 | 0 | 0 | 112.1 | V239 K245 E246 V247 | V239-F243 WeakPolarHBondContact O-CB 3.25Å; V239-F243 PolarHBondContact O-N 2.95Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.43Å; F243-E246 PolarHBondContact O-N 3.25Å; F243-V247 HydrophobicContact CD1-CG2 4.39Å; F243-V247 HydrophobicContact CD2-CG2 4.33Å; F243-V247 HydrophobicContact CE1-CG2 3.97Å; F243-V247 HydrophobicContact CE2-CG2 3.9Å; F243-V247 HydrophobicContact CZ-CG2 3.72Å; F243-V247 WeakPolarHBondContact O-CB 3.32Å; F243-V247 VanDerWaalsContact O-CG2 3.29Å; F243-V247 WeakPolarHBondContact O-CG2 3.29Å; F243-V247 PolarHBondContact O-N 3.34Å |
| 244 | Q | 84.9 | Confident | 86.4 | Confident | 110 Ų | 110 | 85.7 Ų | 85.7 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 175.7 | 176.4 | 176.4 | -27.4 | 0 | 0 | 111 | V240 E241 D242 Q248 | V240-Q244 VanDerWaalsContact O-CB 3.24Å; V240-Q244 WeakPolarHBondContact O-CB 3.39Å; V240-Q244 PolarHBondContact O-N 3.16Å; E241-Q244 PolarHBondContact O-N 3.09Å; D242-Q244 PolarHBondContact O-N 2.89Å; Q244-Q248 WeakPolarHBondContact O-CB 3.41Å; Q244-Q248 WeakPolarHBondContact O-CG 3.41Å; Q244-Q248 PolarHBondContact O-N 2.93Å |
| 245 | K | 91.3 | Very high | 85.9 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 177.7 | -178 | -176 | 170.8 | -164.9 | 0 | 111.6 | E241 D242 F243 V247 Q248 E249 | E241-K245 VanDerWaalsContact O-CB 3.26Å; E241-K245 WeakPolarHBondContact O-CB 3.2Å; E241-K245 PolarHBondContact O-N 3.5Å; D242-K245 PolarHBondContact O-N 3.41Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.43Å; K245-V247 PolarHBondContact O-N 2.94Å; K245-Q248 CarbonylContact O-C 3.58Å; K245-Q248 PolarHBondContact O-N 3.48Å; K245-Q248 VanDerWaalsContact O-N 3.15Å; K245-E249 WeakPolarHBondContact CE-OE1 3.49Å; K245-E249 WeakPolarHBondContact O-CB 3.44Å; K245-E249 WeakPolarHBondContact O-CG 3.39Å; K245-E249 PolarHBondContact O-N 3.45Å |
| 246 | E | 87.1 | Confident | 85.4 | Confident | 124 Ų | 124 | 91.2 Ų | 91.2 | 58% | 0.579 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 177.9 | -171.8 | 168.3 | -155.1 | 0 | 0 | 111.4 | D242 F243 Q248 E249 M250 | D242-E246 WeakPolarHBondContact O-CB 3.32Å; D242-E246 PolarHBondContact O-N 2.98Å; F243-E246 PolarHBondContact O-N 3.25Å; E246-Q248 PolarHBondContact O-N 2.86Å; E246-E249 PolarHBondContact O-N 2.88Å; E246-M250 WeakPolarHBondContact O-CB 3.24Å; E246-M250 WeakPolarHBondContact O-CG 3.26Å; E246-M250 PolarHBondContact O-N 3.46Å |
| 247 | V | 82.9 | Confident | 84.6 | Confident | 21 Ų | 21 | 94.5 Ų | 94.5 | 13% | 0.127 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 172.1 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | F243 K245 M250 L251 | F243-V247 HydrophobicContact CD1-CG2 4.39Å; F243-V247 HydrophobicContact CD2-CG2 4.33Å; F243-V247 HydrophobicContact CE1-CG2 3.97Å; F243-V247 HydrophobicContact CE2-CG2 3.9Å; F243-V247 HydrophobicContact CZ-CG2 3.72Å; F243-V247 WeakPolarHBondContact O-CB 3.32Å; F243-V247 VanDerWaalsContact O-CG2 3.29Å; F243-V247 WeakPolarHBondContact O-CG2 3.29Å; F243-V247 PolarHBondContact O-N 3.34Å; K245-V247 PolarHBondContact O-N 2.94Å; V247-M250 HydrophobicContact CG2-CE 4.47Å; V247-L251 HydrophobicContact CG1-CD1 4Å; V247-L251 WeakPolarHBondContact O-CB 3.35Å; V247-L251 VanDerWaalsContact O-CG 3.27Å; V247-L251 WeakPolarHBondContact O-CG 3.49Å; V247-L251 PolarHBondContact O-N 2.99Å |
| 248 | Q | 85.4 | Confident | 83.7 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 54% | 0.542 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 175.2 | -77.2 | -175.2 | 3.7 | 0 | 0 | 112.6 | Q244 K245 E246 L251 K252 | Q244-Q248 WeakPolarHBondContact O-CB 3.41Å; Q244-Q248 WeakPolarHBondContact O-CG 3.41Å; Q244-Q248 PolarHBondContact O-N 2.93Å; K245-Q248 CarbonylContact O-C 3.58Å; K245-Q248 PolarHBondContact O-N 3.48Å; K245-Q248 VanDerWaalsContact O-N 3.15Å; E246-Q248 PolarHBondContact O-N 2.86Å; Q248-L251 PolarHBondContact O-N 2.82Å; Q248-K252 VanDerWaalsContact O-CB 3.28Å; Q248-K252 WeakPolarHBondContact O-CB 3.43Å; Q248-K252 PolarHBondContact O-N 3.26Å |
| 249 | E | 88.3 | Confident | 82.3 | Confident | 119 Ų | 119 | 90.6 Ų | 90.6 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 176.9 | -74.4 | -178.1 | -172.6 | 0 | 0 | 111.3 | K245 E246 K252 G253 | K245-E249 WeakPolarHBondContact CE-OE1 3.49Å; K245-E249 WeakPolarHBondContact O-CB 3.44Å; K245-E249 WeakPolarHBondContact O-CG 3.39Å; K245-E249 PolarHBondContact O-N 3.45Å; E246-E249 PolarHBondContact O-N 2.88Å; E249-K252 PolarHBondContact O-N 3.48Å; E249-G253 PolarHBondContact O-N 2.9Å |
| 250 | M | 81.5 | Confident | 80.9 | Confident | 74 Ų | 74 | 93.8 Ų | 93.8 | 37% | 0.365 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 171.6 | -77.3 | -156.4 | -56.9 | 0 | 0 | 112.2 | E246 V247 K252 L254 L270 | E246-M250 WeakPolarHBondContact O-CB 3.24Å; E246-M250 WeakPolarHBondContact O-CG 3.26Å; E246-M250 PolarHBondContact O-N 3.46Å; V247-M250 HydrophobicContact CG2-CE 4.47Å; M250-K252 VanDerWaalsContact C-N 3.35Å; M250-L254 WeakPolarHBondContact O-CB 3.46Å; M250-L254 PolarHBondContact O-N 3.34Å; M250-L270 HydrophobicContact CE-CD1 4.41Å; M250-L270 HydrophobicContact SD-CD1 4.1Å; M250-L270 HydrophobicContact SD-CD2 4.44Å |
| 251 | L | 80.8 | Confident | 80.1 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 178.7 | -78.7 | 173.1 | 0 | 0 | 0 | 112.2 | V247 Q248 L254 Q255 I274 | V247-L251 HydrophobicContact CG1-CD1 4Å; V247-L251 WeakPolarHBondContact O-CB 3.35Å; V247-L251 VanDerWaalsContact O-CG 3.27Å; V247-L251 WeakPolarHBondContact O-CG 3.49Å; V247-L251 PolarHBondContact O-N 2.99Å; Q248-L251 PolarHBondContact O-N 2.82Å; L251-L254 HydrophobicContact CD2-CD2 4.2Å; L251-Q255 WeakPolarHBondContact O-CB 3.36Å; L251-Q255 PolarHBondContact O-N 3.38Å; L251-I274 HydrophobicContact CD2-CD1 3.79Å; L251-I274 HydrophobicContact CG-CD1 4.27Å |
| 252 | K | 84.1 | Confident | 78.9 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.1 | -49.8 | 175.9 | -176.4 | -176 | 172.8 | -168.4 | 0 | 111.5 | Q248 E249 M250 L254 Q255 E256 | Q248-K252 VanDerWaalsContact O-CB 3.28Å; Q248-K252 WeakPolarHBondContact O-CB 3.43Å; Q248-K252 PolarHBondContact O-N 3.26Å; E249-K252 PolarHBondContact O-N 3.48Å; M250-K252 VanDerWaalsContact C-N 3.35Å; K252-L254 VanDerWaalsContact C-N 3.25Å; K252-L254 PolarHBondContact O-N 2.86Å; K252-Q255 WeakPolarHBondContact O-CB 3.42Å; K252-Q255 PolarHBondContact O-N 3.01Å; K252-E256 WeakPolarHBondContact CE-OE1 3.2Å; K252-E256 WeakPolarHBondContact O-CG 3.44Å; K252-E256 PolarHBondContact O-N 3.33Å |
| 253 | G | 81.6 | Confident | 77.9 | Confident | 17 Ų | 17 | 94.7 Ų | 94.7 | 18% | 0.175 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.5 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E249 R257 | E249-G253 PolarHBondContact O-N 2.9Å; G253-R257 VanDerWaalsContact C-NH1 3.31Å; G253-R257 WeakPolarHBondContact O-CG 3.38Å; G253-R257 PolarHBondContact O-N 3.46Å; G253-R257 VanDerWaalsContact O-N 3.16Å; G253-R257 PolarHBondContact O-NH1 3.33Å; G253-R257 VanDerWaalsContact O-NH1 3.08Å |
| 254 | L | 78.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 93.8 Ų | 93.8 | 3% | 0.031 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 169.7 | 170.2 | 71 | 0 | 0 | 0 | 112 | M250 L251 K252 E256 R257 V258 D267 L270 L271 | M250-L254 WeakPolarHBondContact O-CB 3.46Å; M250-L254 PolarHBondContact O-N 3.34Å; L251-L254 HydrophobicContact CD2-CD2 4.2Å; K252-L254 VanDerWaalsContact C-N 3.25Å; K252-L254 PolarHBondContact O-N 2.86Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 2.86Å; L254-R257 PolarHBondContact O-N 2.85Å; L254-V258 HydrophobicContact CD1-CG2 3.77Å; L254-V258 HydrophobicContact CG-CG2 4.16Å; L254-V258 WeakPolarHBondContact O-CB 3.48Å; L254-V258 VanDerWaalsContact O-CG2 3.27Å; L254-V258 WeakPolarHBondContact O-CG2 3.45Å; L254-V258 PolarHBondContact O-N 2.79Å; L254-D267 HydrophobicContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CG 3.42Å; L254-L270 HydrophobicContact CD2-CD2 4.49Å; L254-L271 HydrophobicContact CD1-CD1 4.34Å; L254-L271 HydrophobicContact CD1-CG 4.46Å; L254-L271 HydrophobicContact CD2-CD1 4.17Å; L254-L271 HydrophobicContact CD2-CD2 3.65Å; L254-L271 HydrophobicContact CD2-CG 3.6Å |
| 255 | Q | 78.4 | Confident | 77.2 | Confident | 136 Ų | 136 | 94.3 Ų | 94.3 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 178.3 | -177.9 | 176.8 | 6.1 | 0 | 0 | 111.3 | L251 K252 V258 C259 | L251-Q255 WeakPolarHBondContact O-CB 3.36Å; L251-Q255 PolarHBondContact O-N 3.38Å; K252-Q255 WeakPolarHBondContact O-CB 3.42Å; K252-Q255 PolarHBondContact O-N 3.01Å; Q255-V258 PolarHBondContact O-N 3.08Å; Q255-C259 PolarHBondContact O-N 3.25Å; Q255-C259 PolarHBondContact O-SG 2.71Å; Q255-C259 VanDerWaalsContact O-SG 3.34Å |
| 256 | E | 78.3 | Confident | 76.5 | Confident | 122 Ų | 122 | 96.5 Ų | 96.5 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 174.9 | -70.9 | 168.6 | -172 | 0 | 0 | 111.6 | K252 L254 | K252-E256 WeakPolarHBondContact CE-OE1 3.2Å; K252-E256 WeakPolarHBondContact O-CG 3.44Å; K252-E256 PolarHBondContact O-N 3.33Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 2.86Å |
| 257 | R | 71.6 | Confident | 76.2 | Confident | 120 Ų | 120 | 91.1 Ų | 91.1 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72 | -35.5 | 175.5 | -69.5 | -171.6 | -56.4 | -87.6 | 7.1 | 114.2 | G253 L254 C259 D260 D267 | G253-R257 VanDerWaalsContact C-NH1 3.31Å; G253-R257 WeakPolarHBondContact O-CG 3.38Å; G253-R257 PolarHBondContact O-N 3.46Å; G253-R257 VanDerWaalsContact O-N 3.16Å; G253-R257 PolarHBondContact O-NH1 3.33Å; G253-R257 VanDerWaalsContact O-NH1 3.08Å; L254-R257 PolarHBondContact O-N 2.85Å; R257-C259 PolarHBondContact O-N 2.79Å; R257-D260 PolarHBondContact O-N 2.9Å; R257-D267 IonicContact CZ-OD1 2.72Å; R257-D267 IonicContact CZ-OD2 3.69Å; R257-D267 IonicContact NE-OD1 2.78Å; R257-D267 PolarHBondContact NE-OD1 3.2Å; R257-D267 IonicContact NE-OD2 3.46Å; R257-D267 PolarHBondContact NE-OD2 2.96Å; R257-D267 IonicContact NH2-OD1 3.73Å; R257-D267 PolarHBondContact NH2-OD1 3.04Å; R257-D267 IonicContact NH2-OD2 3.36Å |
| 258 | V | 68.9 | Low | 76.1 | Confident | 61 Ų | 61 | 92.6 Ų | 92.6 | 37% | 0.37 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.5 | -21.8 | -179.2 | 165.1 | 0 | 0 | 0 | 0 | 112.5 | L254 Q255 D260 V263 | L254-V258 HydrophobicContact CD1-CG2 3.77Å; L254-V258 HydrophobicContact CG-CG2 4.16Å; L254-V258 WeakPolarHBondContact O-CB 3.48Å; L254-V258 VanDerWaalsContact O-CG2 3.27Å; L254-V258 WeakPolarHBondContact O-CG2 3.45Å; L254-V258 PolarHBondContact O-N 2.79Å; Q255-V258 PolarHBondContact O-N 3.08Å; V258-D260 PolarHBondContact O-N 3.04Å; V258-V263 HydrophobicContact CG1-CG2 4.39Å; V258-V263 HydrophobicContact CG2-CG1 4.2Å; V258-V263 HydrophobicContact CG2-CG2 4.21Å |
| 259 | C | 62.6 | Low | 76 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.1 | 173.2 | -74.3 | 0 | 0 | 0 | 0 | 114.1 | Q255 R257 | Q255-C259 PolarHBondContact O-N 3.25Å; Q255-C259 PolarHBondContact O-SG 2.71Å; Q255-C259 VanDerWaalsContact O-SG 3.34Å; R257-C259 PolarHBondContact O-N 2.79Å |
| 260 | D | 61.1 | Low | 75.7 | Confident | 128 Ų | 128 | 87 Ų | 87 | 68% | 0.684 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -115.3 | 106.7 | -178.6 | -137.3 | -12.1 | 0 | 0 | 0 | 110.8 | R257 V258 | R257-D260 PolarHBondContact O-N 2.9Å; V258-D260 PolarHBondContact O-N 3.04Å |
| 261 | P | 70.5 | Confident | 75.6 | Confident | 109 Ų | 109 | 86.5 Ų | 86.5 | 71% | 0.708 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -69.9 | 139.6 | -178.7 | -19.1 | 32.3 | 0 | 0 | 0 | 112.4 | ||
| 262 | P | 63.3 | Low | 75.8 | Confident | 119 Ų | 119 | 86.6 Ų | 86.6 | 77% | 0.773 | 47% | 0.47 | S | S | * | . | S | Bend | cis | -99.3 | 142.8 | 10.5 | 36.2 | -32.1 | 0 | 0 | 0 | 114.3 | E264 | P262-E264 PolarHBondContact O-N 2.74Š|
| 263 | V | 68.4 | Low | 75.8 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 44% | 0.436 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 127.4 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | V258 D267 | V258-V263 HydrophobicContact CG1-CG2 4.39Å; V258-V263 HydrophobicContact CG2-CG1 4.2Å; V258-V263 HydrophobicContact CG2-CG2 4.21Å; V263-D267 HydrophobicContact CG1-CB 4.07Å |
| 264 | E | 78.5 | Confident | 75.9 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 150.2 | 178 | -70.7 | -157.6 | 173.6 | 0 | 0 | 112.8 | P262 K266 D267 A268 | P262-E264 PolarHBondContact O-N 2.74Å; E264-K266 PolarHBondContact O-N 2.89Å; E264-D267 HydrophobicContact CB-CB 4.47Å; E264-D267 PolarHBondContact O-N 3.4Å; E264-A268 PolarHBondContact O-N 3.45Å; E264-A268 VanDerWaalsContact O-N 3.09Å |
| 265 | V | 77.7 | Confident | 76.1 | Confident | 121 Ų | 121 | 84.2 Ų | 84.2 | 73% | 0.733 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.7 | -32.5 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | A268 V269 | V265-A268 PolarHBondContact O-N 3.41Å; V265-V269 WeakPolarHBondContact O-CG2 3.4Å; V265-V269 PolarHBondContact O-N 3.13Å; V265-V269 VanDerWaalsContact O-N 3.09Å |
| 266 | K | 77.9 | Confident | 76.2 | Confident | 159 Ų | 159 | 82.6 Ų | 82.6 | 69% | 0.691 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 176.3 | -63 | 173.6 | -173.8 | 162.5 | 0 | 111.5 | E264 V269 L270 | E264-K266 PolarHBondContact O-N 2.89Å; K266-V269 PolarHBondContact O-N 3.25Å; K266-L270 PolarHBondContact O-N 2.87Å |
| 267 | D | 80.7 | Confident | 76.2 | Confident | 11 Ų | 11 | 83.3 Ų | 83.3 | 6% | 0.059 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 178.9 | -80 | -18.4 | 0 | 0 | 0 | 111.9 | L254 R257 V263 E264 L270 L271 | L254-D267 HydrophobicContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CB 3.4Å; L254-D267 VanDerWaalsContact CD1-CG 3.42Å; R257-D267 IonicContact CZ-OD1 2.72Å; R257-D267 IonicContact CZ-OD2 3.69Å; R257-D267 IonicContact NE-OD1 2.78Å; R257-D267 PolarHBondContact NE-OD1 3.2Å; R257-D267 IonicContact NE-OD2 3.46Å; R257-D267 PolarHBondContact NE-OD2 2.96Å; R257-D267 IonicContact NH2-OD1 3.73Å; R257-D267 PolarHBondContact NH2-OD1 3.04Å; R257-D267 IonicContact NH2-OD2 3.36Å; V263-D267 HydrophobicContact CG1-CB 4.07Å; E264-D267 HydrophobicContact CB-CB 4.47Å; E264-D267 PolarHBondContact O-N 3.4Å; D267-L270 PolarHBondContact O-N 2.85Å; D267-L271 WeakPolarHBondContact O-CB 3.33Å; D267-L271 WeakPolarHBondContact O-CG 3.35Å; D267-L271 PolarHBondContact O-N 2.92Å |
| 268 | A | 80.8 | Confident | 76.7 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E264 V265 N272 | E264-A268 PolarHBondContact O-N 3.45Å; E264-A268 VanDerWaalsContact O-N 3.09Å; V265-A268 PolarHBondContact O-N 3.41Å; A268-N272 WeakPolarHBondContact O-CB 3.15Å; A268-N272 PolarHBondContact O-N 2.91Å |
| 269 | V | 82.6 | Confident | 77.3 | Confident | 74 Ų | 74 | 83.3 Ų | 83.3 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 175 | 171 | 0 | 0 | 0 | 0 | 111.2 | V265 K266 L271 N272 N273 | V265-V269 WeakPolarHBondContact O-CG2 3.4Å; V265-V269 PolarHBondContact O-N 3.13Å; V265-V269 VanDerWaalsContact O-N 3.09Å; K266-V269 PolarHBondContact O-N 3.25Å; V269-L271 PolarHBondContact O-N 2.91Å; V269-N272 PolarHBondContact O-N 3.48Å; V269-N273 VanDerWaalsContact O-CG 3.27Å; V269-N273 PolarHBondContact O-N 3.46Å; V269-N273 PolarHBondContact O-ND2 2.85Å |
| 270 | L | 81.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 174.7 | -168.6 | 79.9 | 0 | 0 | 0 | 110.9 | M250 L254 K266 D267 N272 N273 I274 | M250-L270 HydrophobicContact CE-CD1 4.41Å; M250-L270 HydrophobicContact SD-CD1 4.1Å; M250-L270 HydrophobicContact SD-CD2 4.44Å; L254-L270 HydrophobicContact CD2-CD2 4.49Å; K266-L270 PolarHBondContact O-N 2.87Å; D267-L270 PolarHBondContact O-N 2.85Å; L270-N272 PolarHBondContact O-N 3.29Å; L270-N273 PolarHBondContact O-N 2.95Å; L270-I274 HydrophobicContact CD2-CD1 4.44Å; L270-I274 HydrophobicContact CG-CD1 4.1Å; L270-I274 WeakPolarHBondContact O-CG1 3.38Å; L270-I274 PolarHBondContact O-N 2.85Å |
| 271 | L | 79.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 79.6 Ų | 79.6 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56 | -47.6 | 173.9 | -84.2 | 166 | 0 | 0 | 0 | 112.3 | L254 D267 V269 N273 I274 V275 | L254-L271 HydrophobicContact CD1-CD1 4.34Å; L254-L271 HydrophobicContact CD1-CG 4.46Å; L254-L271 HydrophobicContact CD2-CD1 4.17Å; L254-L271 HydrophobicContact CD2-CD2 3.65Å; L254-L271 HydrophobicContact CD2-CG 3.6Å; D267-L271 WeakPolarHBondContact O-CB 3.33Å; D267-L271 WeakPolarHBondContact O-CG 3.35Å; D267-L271 PolarHBondContact O-N 2.92Å; V269-L271 PolarHBondContact O-N 2.91Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.48Å; L271-I274 PolarHBondContact O-N 3.39Å; L271-V275 VanDerWaalsContact O-CB 3.26Å; L271-V275 WeakPolarHBondContact O-CB 3.41Å; L271-V275 WeakPolarHBondContact O-CG2 3.5Å; L271-V275 PolarHBondContact O-N 3.48Å |
| 272 | N | 84.4 | Confident | 80 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 179.1 | -178.8 | 81.4 | 0 | 0 | 0 | 111.9 | A268 V269 L270 V275 Q276 | A268-N272 WeakPolarHBondContact O-CB 3.15Å; A268-N272 PolarHBondContact O-N 2.91Å; V269-N272 PolarHBondContact O-N 3.48Å; L270-N272 PolarHBondContact O-N 3.29Å; N272-V275 PolarHBondContact O-N 3.15Å; N272-Q276 PolarHBondContact ND2-OE1 2.84Å; N272-Q276 WeakPolarHBondContact O-CB 3.46Å; N272-Q276 PolarHBondContact O-N 3.07Å |
| 273 | N | 84.9 | Confident | 81.1 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 34% | 0.342 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 178.6 | -68.1 | -20.8 | 0 | 0 | 0 | 111.8 | V269 L270 L271 V275 Q276 N277 | V269-N273 VanDerWaalsContact O-CG 3.27Å; V269-N273 PolarHBondContact O-N 3.46Å; V269-N273 PolarHBondContact O-ND2 2.85Å; L270-N273 PolarHBondContact O-N 2.95Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.48Å; N273-V275 PolarHBondContact O-N 2.94Å; N273-Q276 PolarHBondContact O-N 3.25Å; N273-N277 WeakPolarHBondContact O-CB 3.33Å; N273-N277 VanDerWaalsContact O-CG 3.27Å; N273-N277 PolarHBondContact O-N 3.17Å; N273-N277 PolarHBondContact O-ND2 2.72Å |
| 274 | I | 82.5 | Confident | 82 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.5 | -67.3 | 171.7 | 0 | 0 | 0 | 109.9 | L251 L270 L271 Q276 N277 F278 | L251-I274 HydrophobicContact CD2-CD1 3.79Å; L251-I274 HydrophobicContact CG-CD1 4.27Å; L270-I274 HydrophobicContact CD2-CD1 4.44Å; L270-I274 HydrophobicContact CG-CD1 4.1Å; L270-I274 WeakPolarHBondContact O-CG1 3.38Å; L270-I274 PolarHBondContact O-N 2.85Å; L271-I274 PolarHBondContact O-N 3.39Å; I274-Q276 VanDerWaalsContact C-N 3.3Å; I274-Q276 PolarHBondContact O-N 3.46Å; I274-N277 PolarHBondContact O-N 3.36Å; I274-F278 HydrophobicContact CG2-CD2 3.75Å; I274-F278 HydrophobicContact CG2-CE2 4.08Å; I274-F278 WeakPolarHBondContact O-CD2 3.27Å; I274-F278 PolarHBondContact O-N 2.78Å |
| 275 | V | 82.9 | Confident | 82.4 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 10% | 0.097 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.6 | -30.3 | -178.5 | 170.8 | 0 | 0 | 0 | 0 | 112.8 | L271 N272 N273 G279 M280 L281 V284 | L271-V275 VanDerWaalsContact O-CB 3.26Å; L271-V275 WeakPolarHBondContact O-CB 3.41Å; L271-V275 WeakPolarHBondContact O-CG2 3.5Å; L271-V275 PolarHBondContact O-N 3.48Å; N272-V275 PolarHBondContact O-N 3.15Å; N273-V275 PolarHBondContact O-N 2.94Å; V275-G279 CarbonylContact O-C 3.59Å; V275-G279 PolarHBondContact O-N 2.98Å; V275-M280 HydrophobicContact CG1-CB 4.37Å; V275-M280 PolarHBondContact O-N 3.5Å; V275-L281 VanDerWaalsContact CG1-CA 3.45Å; V275-L281 HydrophobicContact CG1-CB 3.92Å; V275-L281 HydrophobicContact CG1-CD1 3.79Å; V275-L281 HydrophobicContact CG1-CG 4.48Å; V275-L281 PolarHBondContact O-N 3.12Å; V275-V284 HydrophobicContact CG1-CB 4.35Å; V275-V284 HydrophobicContact CG1-CG2 3.92Å; V275-V284 HydrophobicContact CG2-CG2 3.87Å |
| 276 | Q | 82.1 | Confident | 83.1 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -74 | -50.4 | 171 | -83.3 | -177.6 | -50.6 | 0 | 0 | 112.1 | N272 N273 I274 F278 G279 | N272-Q276 PolarHBondContact ND2-OE1 2.84Å; N272-Q276 WeakPolarHBondContact O-CB 3.46Å; N272-Q276 PolarHBondContact O-N 3.07Å; N273-Q276 PolarHBondContact O-N 3.25Å; I274-Q276 VanDerWaalsContact C-N 3.3Å; I274-Q276 PolarHBondContact O-N 3.46Å; Q276-F278 VanDerWaalsContact C-N 3.34Å; Q276-F278 PolarHBondContact O-N 3.09Å; Q276-G279 PolarHBondContact O-N 3.09Å; Q276-G279 VanDerWaalsContact O-N 3.08Å |
| 277 | N | 78.7 | Confident | 83.8 | Confident | 137 Ų | 137 | 76.1 Ų | 76.1 | 73% | 0.733 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.8 | -38.9 | -176.9 | -72.9 | -29.4 | 0 | 0 | 0 | 112.7 | N273 I274 | N273-N277 WeakPolarHBondContact O-CB 3.33Å; N273-N277 VanDerWaalsContact O-CG 3.27Å; N273-N277 PolarHBondContact O-N 3.17Å; N273-N277 PolarHBondContact O-ND2 2.72Å; I274-N277 PolarHBondContact O-N 3.36Å |
| 278 | F | 81 | Confident | 84.3 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.4 | 176.8 | -68.3 | -76.6 | 0 | 0 | 0 | 113.9 | I274 Q276 M280 | I274-F278 HydrophobicContact CG2-CD2 3.75Å; I274-F278 HydrophobicContact CG2-CE2 4.08Å; I274-F278 WeakPolarHBondContact O-CD2 3.27Å; I274-F278 PolarHBondContact O-N 2.78Å; Q276-F278 VanDerWaalsContact C-N 3.34Å; Q276-F278 PolarHBondContact O-N 3.09Å; F278-M280 HydrophobicContact CB-CG 3.91Å; F278-M280 HydrophobicContact CB-SD 3.96Å; F278-M280 PolarHBondContact O-N 2.95Å |
| 279 | G | 81.1 | Confident | 84.9 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 61% | 0.608 | 43% | 0.433 | S | S | * | . | trans | 62.6 | 11.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V275 Q276 L281 | V275-G279 CarbonylContact O-C 3.59Å; V275-G279 PolarHBondContact O-N 2.98Å; Q276-G279 PolarHBondContact O-N 3.09Å; Q276-G279 VanDerWaalsContact O-N 3.08Å; G279-L281 PolarHBondContact O-N 2.84Å | ||
| 280 | M | 84.8 | Confident | 85.5 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 41% | 0.414 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -0.8 | -173.3 | -70.4 | 174.7 | 58.8 | 0 | 0 | 114.1 | V275 F278 D282 L283 V284 | V275-M280 HydrophobicContact CG1-CB 4.37Å; V275-M280 PolarHBondContact O-N 3.5Å; F278-M280 HydrophobicContact CB-CG 3.91Å; F278-M280 HydrophobicContact CB-SD 3.96Å; F278-M280 PolarHBondContact O-N 2.95Å; M280-D282 VanDerWaalsContact C-N 3.26Å; M280-D282 PolarHBondContact O-N 3.28Å; M280-D282 VanDerWaalsContact O-N 3.16Å; M280-L283 WeakPolarHBondContact O-CA 3.32Å; M280-L283 WeakPolarHBondContact O-CB 3.35Å; M280-L283 PolarHBondContact O-N 3.41Å; M280-V284 PolarHBondContact O-N 3.33Å |
| 281 | L | 82.8 | Confident | 86.1 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55.3 | -37.7 | -172 | -170.7 | 67.8 | 0 | 0 | 0 | 113.4 | V275 G279 V284 K285 | V275-L281 VanDerWaalsContact CG1-CA 3.45Å; V275-L281 HydrophobicContact CG1-CB 3.92Å; V275-L281 HydrophobicContact CG1-CD1 3.79Å; V275-L281 HydrophobicContact CG1-CG 4.48Å; V275-L281 PolarHBondContact O-N 3.12Å; G279-L281 PolarHBondContact O-N 2.84Å; L281-V284 PolarHBondContact O-N 3.4Å; L281-K285 WeakPolarHBondContact O-CB 3.12Å; L281-K285 VanDerWaalsContact O-CG 3.25Å; L281-K285 WeakPolarHBondContact O-CG 3.37Å; L281-K285 PolarHBondContact O-N 2.86Å |
| 282 | D | 83.8 | Confident | 86.8 | Confident | 101 Ų | 101 | 87.1 Ų | 87.1 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -77.6 | -26.4 | 179 | -67.7 | -27.5 | 0 | 0 | 0 | 113.5 | M280 K285 R286 | M280-D282 VanDerWaalsContact C-N 3.26Å; M280-D282 PolarHBondContact O-N 3.28Å; M280-D282 VanDerWaalsContact O-N 3.16Å; D282-K285 WeakPolarHBondContact OD1-CD 3.27Å; D282-K285 IonicContact OD1-NZ 3.02Å; D282-K285 PolarHBondContact OD1-NZ 3.34Å; D282-R286 VanDerWaalsContact O-CB 3.32Å; D282-R286 WeakPolarHBondContact O-CB 3.33Å; D282-R286 PolarHBondContact O-N 2.88Å; D282-R286 VanDerWaalsContact O-N 3.09Å |
| 283 | L | 86.6 | Confident | 87.3 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 47% | 0.466 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.8 | -46.1 | 168.4 | -178.7 | 61.8 | 0 | 0 | 0 | 110.2 | M280 R286 V287 | M280-L283 WeakPolarHBondContact O-CA 3.32Å; M280-L283 WeakPolarHBondContact O-CB 3.35Å; M280-L283 PolarHBondContact O-N 3.41Å; L283-R286 WeakPolarHBondContact O-CB 3.13Å; L283-R286 PolarHBondContact O-N 2.85Å; L283-R286 VanDerWaalsContact O-N 3.16Å; L283-V287 HydrophobicContact CD1-CG2 4.45Å; L283-V287 WeakPolarHBondContact O-CG2 3.45Å; L283-V287 PolarHBondContact O-N 2.88Å |
| 284 | V | 86.5 | Confident | 87.9 | Confident | 46 Ų | 46 | 87.8 Ų | 87.8 | 28% | 0.279 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V275 M280 L281 R286 V287 L288 | V275-V284 HydrophobicContact CG1-CB 4.35Å; V275-V284 HydrophobicContact CG1-CG2 3.92Å; V275-V284 HydrophobicContact CG2-CG2 3.87Å; M280-V284 PolarHBondContact O-N 3.33Å; L281-V284 PolarHBondContact O-N 3.4Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.39Å; V284-V287 PolarHBondContact O-N 3.05Å; V284-L288 HydrophobicContact CG1-CD1 3.78Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CB 3.45Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.79Å |
| 285 | K | 88.3 | Confident | 88.4 | Confident | 110 Ų | 110 | 90.3 Ų | 90.3 | 48% | 0.478 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55 | -44.1 | 172.6 | -74.7 | 169.8 | -166.3 | 151 | 0 | 111.8 | L281 D282 A289 | L281-K285 WeakPolarHBondContact O-CB 3.12Å; L281-K285 VanDerWaalsContact O-CG 3.25Å; L281-K285 WeakPolarHBondContact O-CG 3.37Å; L281-K285 PolarHBondContact O-N 2.86Å; D282-K285 WeakPolarHBondContact OD1-CD 3.27Å; D282-K285 IonicContact OD1-NZ 3.02Å; D282-K285 PolarHBondContact OD1-NZ 3.34Å; K285-A289 WeakPolarHBondContact O-CB 3.45Å; K285-A289 PolarHBondContact O-N 2.89Å |
| 286 | R | 92.6 | Very high | 89 | Confident | 179 Ų | 179 | 91.8 Ų | 91.8 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.3 | -44.7 | 179.9 | -169.9 | -170.9 | -55.9 | 178.9 | 3.2 | 111.9 | D282 L283 V284 A289 S290 | D282-R286 VanDerWaalsContact O-CB 3.32Å; D282-R286 WeakPolarHBondContact O-CB 3.33Å; D282-R286 PolarHBondContact O-N 2.88Å; D282-R286 VanDerWaalsContact O-N 3.09Å; L283-R286 WeakPolarHBondContact O-CB 3.13Å; L283-R286 PolarHBondContact O-N 2.85Å; L283-R286 VanDerWaalsContact O-N 3.16Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.39Å; R286-A289 PolarHBondContact O-N 3.36Å; R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 3.43Å |
| 287 | V | 92.5 | Very high | 89.7 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L283 V284 A289 S290 H291 | L283-V287 HydrophobicContact CD1-CG2 4.45Å; L283-V287 WeakPolarHBondContact O-CG2 3.45Å; L283-V287 PolarHBondContact O-N 2.88Å; V284-V287 PolarHBondContact O-N 3.05Å; V287-A289 PolarHBondContact O-N 3.37Å; V287-S290 WeakPolarHBondContact O-CB 3.36Å; V287-S290 PolarHBondContact O-N 3.22Å; V287-H291 WeakPolarHBondContact O-CB 3.3Å; V287-H291 PolarHBondContact O-N 3.37Å |
| 288 | L | 90.8 | Very high | 90.6 | Very high | 110 Ų | 110 | 94.1 Ų | 94.1 | 58% | 0.576 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 176.7 | -70.6 | 174.6 | 0 | 0 | 0 | 112.5 | V284 K292 | V284-L288 HydrophobicContact CG1-CD1 3.78Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CB 3.45Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.79Å; L288-K292 WeakPolarHBondContact O-CB 3.33Å; L288-K292 PolarHBondContact O-N 2.87Å |
| 289 | A | 92.8 | Very high | 91.3 | Very high | 59 Ų | 59 | 95.4 Ų | 95.4 | 49% | 0.488 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K285 R286 V287 S293 | K285-A289 WeakPolarHBondContact O-CB 3.45Å; K285-A289 PolarHBondContact O-N 2.89Å; R286-A289 PolarHBondContact O-N 3.36Å; V287-A289 PolarHBondContact O-N 3.37Å; A289-S293 WeakPolarHBondContact O-CB 3.39Å; A289-S293 PolarHBondContact O-N 2.82Å |
| 290 | S | 94.7 | Very high | 92 | Very high | 76 Ų | 76 | 97 Ų | 97 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -52.4 | 174.2 | -172 | 0 | 0 | 0 | 0 | 111.4 | R286 V287 K292 S293 Q294 | R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 3.43Å; V287-S290 WeakPolarHBondContact O-CB 3.36Å; V287-S290 PolarHBondContact O-N 3.22Å; S290-K292 VanDerWaalsContact C-N 3.33Å; S290-K292 PolarHBondContact O-N 3.2Å; S290-S293 WeakPolarHBondContact O-CB 3.38Å; S290-S293 PolarHBondContact O-N 2.87Å; S290-S293 VanDerWaalsContact O-N 3.12Å; S290-Q294 PolarHBondContact O-N 3.4Å |
| 291 | H | 94.9 | Very high | 92.6 | Very high | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 178 | -177.2 | -103 | 0 | 0 | 0 | 112 | V287 Q294 M295 | V287-H291 WeakPolarHBondContact O-CB 3.3Å; V287-H291 PolarHBondContact O-N 3.37Å; H291-Q294 PolarHBondContact O-N 3.35Å; H291-M295 WeakPolarHBondContact O-CB 3.28Å; H291-M295 PolarHBondContact O-N 3.44Å |
| 292 | K | 94.2 | Very high | 93.3 | Very high | 114 Ų | 114 | 103.6 Ų | 103.6 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 172.3 | 175.8 | 169 | 171.5 | 44.1 | 0 | 111.6 | L288 S290 Q294 M295 D296 | L288-K292 WeakPolarHBondContact O-CB 3.33Å; L288-K292 PolarHBondContact O-N 2.87Å; S290-K292 VanDerWaalsContact C-N 3.33Å; S290-K292 PolarHBondContact O-N 3.2Å; K292-Q294 VanDerWaalsContact C-N 3.3Å; K292-Q294 PolarHBondContact O-N 3.08Å; K292-M295 PolarHBondContact O-N 3.16Å; K292-D296 WeakPolarHBondContact CG-OD2 3.48Å; K292-D296 IonicContact NZ-OD1 3.23Å; K292-D296 IonicContact NZ-OD2 2.7Å; K292-D296 PolarHBondContact NZ-OD2 2.92Å; K292-D296 WeakPolarHBondContact O-CB 3.43Å; K292-D296 VanDerWaalsContact O-CG 3.26Å; K292-D296 PolarHBondContact O-N 2.7Å |
| 293 | S | 95.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 103.4 Ų | 103.4 | 38% | 0.378 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | A289 S290 D296 R297 | A289-S293 WeakPolarHBondContact O-CB 3.39Å; A289-S293 PolarHBondContact O-N 2.82Å; S290-S293 WeakPolarHBondContact O-CB 3.38Å; S290-S293 PolarHBondContact O-N 2.87Å; S290-S293 VanDerWaalsContact O-N 3.12Å; S293-D296 PolarHBondContact O-N 2.95Å; S293-R297 VanDerWaalsContact O-CG 3.3Å; S293-R297 WeakPolarHBondContact O-CG 3.39Å; S293-R297 PolarHBondContact O-N 3.44Å |
| 294 | Q | 96.3 | Very high | 94.4 | Very high | 92 Ų | 92 | 106.7 Ų | 106.7 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 174.6 | -179.8 | 176.3 | -4.7 | 0 | 0 | 111.9 | S290 H291 K292 D296 R297 Y298 | S290-Q294 PolarHBondContact O-N 3.4Å; H291-Q294 PolarHBondContact O-N 3.35Å; K292-Q294 VanDerWaalsContact C-N 3.3Å; K292-Q294 PolarHBondContact O-N 3.08Å; Q294-D296 PolarHBondContact O-N 3.28Å; Q294-R297 WeakPolarHBondContact O-CB 3.42Å; Q294-R297 PolarHBondContact O-N 3.49Å; Q294-Y298 HydrophobicContact CG-CD2 4.11Å; Q294-Y298 HydrophobicContact CG-CE2 3.56Å; Q294-Y298 PolarHBondContact NE2-OH 3.49Å; Q294-Y298 VanDerWaalsContact O-CD2 3.25Å; Q294-Y298 WeakPolarHBondContact O-CD2 3.47Å; Q294-Y298 PolarHBondContact O-N 3.05Å |
| 295 | M | 94.1 | Very high | 95 | Very high | 74 Ų | 74 | 107.4 Ų | 107.4 | 37% | 0.365 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.2 | -174.5 | -176.8 | 61.2 | 0 | 0 | 112.1 | H291 K292 Y298 R299 | H291-M295 WeakPolarHBondContact O-CB 3.28Å; H291-M295 PolarHBondContact O-N 3.44Å; K292-M295 PolarHBondContact O-N 3.16Å; M295-Y298 PolarHBondContact O-N 3.31Å; M295-R299 WeakPolarHBondContact O-CG 3.25Å; M295-R299 PolarHBondContact O-N 3.34Å |
| 296 | D | 95.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 106.9 Ų | 106.9 | 26% | 0.257 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 177.1 | -70.9 | -27.1 | 0 | 0 | 0 | 110.6 | K292 S293 Q294 Y298 R299 E300 | K292-D296 WeakPolarHBondContact CG-OD2 3.48Å; K292-D296 IonicContact NZ-OD1 3.23Å; K292-D296 IonicContact NZ-OD2 2.7Å; K292-D296 PolarHBondContact NZ-OD2 2.92Å; K292-D296 WeakPolarHBondContact O-CB 3.43Å; K292-D296 VanDerWaalsContact O-CG 3.26Å; K292-D296 PolarHBondContact O-N 2.7Å; S293-D296 PolarHBondContact O-N 2.95Å; Q294-D296 PolarHBondContact O-N 3.28Å; D296-Y298 PolarHBondContact O-N 3.31Å; D296-R299 WeakPolarHBondContact O-CB 3.49Å; D296-R299 PolarHBondContact O-N 3.32Å; D296-E300 WeakPolarHBondContact O-CG 3.27Å; D296-E300 PolarHBondContact O-N 2.94Å |
| 297 | R | 96.7 | Very high | 95.6 | Very high | 174 Ų | 174 | 100.7 Ų | 100.7 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 170.9 | -74.3 | 173.3 | -171.9 | -174.3 | 3.4 | 112.9 | S293 Q294 E300 Q301 | S293-R297 VanDerWaalsContact O-CG 3.3Å; S293-R297 WeakPolarHBondContact O-CG 3.39Å; S293-R297 PolarHBondContact O-N 3.44Å; Q294-R297 WeakPolarHBondContact O-CB 3.42Å; Q294-R297 PolarHBondContact O-N 3.49Å; R297-E300 PolarHBondContact O-N 3.47Å; R297-Q301 WeakPolarHBondContact O-CB 3.17Å; R297-Q301 PolarHBondContact O-N 2.86Å |
| 298 | Y | 96.6 | Very high | 95.9 | Very high | 113 Ų | 113 | 98.7 Ų | 98.7 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176 | -71.1 | -53.9 | 0 | 0 | 0 | 111.4 | Q294 M295 D296 E300 Q301 Y302 | Q294-Y298 HydrophobicContact CG-CD2 4.11Å; Q294-Y298 HydrophobicContact CG-CE2 3.56Å; Q294-Y298 PolarHBondContact NE2-OH 3.49Å; Q294-Y298 VanDerWaalsContact O-CD2 3.25Å; Q294-Y298 WeakPolarHBondContact O-CD2 3.47Å; Q294-Y298 PolarHBondContact O-N 3.05Å; M295-Y298 PolarHBondContact O-N 3.31Å; D296-Y298 PolarHBondContact O-N 3.31Å; Y298-E300 PolarHBondContact O-N 3.06Å; Y298-Q301 WeakPolarHBondContact O-CB 3.46Å; Y298-Q301 PolarHBondContact O-N 3.49Å; Y298-Q301 VanDerWaalsContact O-N 3.11Å; Y298-Y302 WeakPolarHBondContact O-CD2 3.33Å; Y298-Y302 PolarHBondContact O-N 3.35Å |
| 299 | R | 95.9 | Very high | 96.2 | Very high | 149 Ų | 149 | 98.1 Ų | 98.1 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56 | -49.5 | 174.9 | -76.2 | 174.4 | 170.8 | -163.9 | -4.7 | 111.6 | M295 D296 Q301 Y302 T303 | M295-R299 WeakPolarHBondContact O-CG 3.25Å; M295-R299 PolarHBondContact O-N 3.34Å; D296-R299 WeakPolarHBondContact O-CB 3.49Å; D296-R299 PolarHBondContact O-N 3.32Å; R299-Q301 VanDerWaalsContact C-N 3.31Å; R299-Q301 PolarHBondContact O-N 3.42Å; R299-Y302 PolarHBondContact O-N 2.91Å; R299-T303 PolarHBondContact O-N 2.92Å; R299-T303 PolarHBondContact O-OG1 3.24Å; R299-T303 VanDerWaalsContact O-OG1 3.06Å |
| 300 | E | 96.5 | Very high | 96.4 | Very high | 93 Ų | 93 | 100.9 Ų | 100.9 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 175.8 | -64.7 | 177.8 | -170.5 | 0 | 0 | 112.7 | D296 R297 Y298 T303 R304 | D296-E300 WeakPolarHBondContact O-CG 3.27Å; D296-E300 PolarHBondContact O-N 2.94Å; R297-E300 PolarHBondContact O-N 3.47Å; Y298-E300 PolarHBondContact O-N 3.06Å; E300-T303 PolarHBondContact O-N 2.93Å; E300-R304 WeakPolarHBondContact O-CB 3.02Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.43Å; E300-R304 PolarHBondContact O-N 2.88Å; E300-R304 IonicContact OE2-CZ 2.87Å; E300-R304 VanDerWaalsContact OE2-CZ 3.23Å; E300-R304 IonicContact OE2-NH1 3.73Å; E300-R304 PolarHBondContact OE2-NH1 3.44Å; E300-R304 IonicContact OE2-NH2 3.79Å; E300-R304 PolarHBondContact OE2-NH2 3.06Å |
| 301 | Q | 97.2 | Very high | 96.5 | Very high | 122 Ų | 122 | 104.2 Ų | 104.2 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 175.5 | -175 | 179.5 | -4.1 | 0 | 0 | 111.3 | R297 Y298 R299 R304 S305 | R297-Q301 WeakPolarHBondContact O-CB 3.17Å; R297-Q301 PolarHBondContact O-N 2.86Å; Y298-Q301 WeakPolarHBondContact O-CB 3.46Å; Y298-Q301 PolarHBondContact O-N 3.49Å; Y298-Q301 VanDerWaalsContact O-N 3.11Å; R299-Q301 VanDerWaalsContact C-N 3.31Å; R299-Q301 PolarHBondContact O-N 3.42Å; Q301-R304 PolarHBondContact O-N 3.42Å; Q301-S305 WeakPolarHBondContact O-CB 3.43Å; Q301-S305 PolarHBondContact O-N 3.02Å |
| 302 | Y | 97.1 | Very high | 96.6 | Very high | 169 Ų | 169 | 104 Ų | 104 | 66% | 0.663 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 172.9 | -68.7 | -60.2 | 0 | 0 | 0 | 111.8 | Y298 R299 R304 S305 L306 | Y298-Y302 WeakPolarHBondContact O-CD2 3.33Å; Y298-Y302 PolarHBondContact O-N 3.35Å; R299-Y302 PolarHBondContact O-N 2.91Å; Y302-R304 PolarHBondContact O-N 3.38Å; Y302-S305 PolarHBondContact O-N 3.3Å; Y302-L306 WeakPolarHBondContact O-CB 3.33Å; Y302-L306 PolarHBondContact O-N 2.98Å |
| 303 | T | 96.9 | Very high | 96.8 | Very high | 96 Ų | 96 | 102 Ų | 102 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 176.2 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | R299 E300 L306 A307 | R299-T303 PolarHBondContact O-N 2.92Å; R299-T303 PolarHBondContact O-OG1 3.24Å; R299-T303 VanDerWaalsContact O-OG1 3.06Å; E300-T303 PolarHBondContact O-N 2.93Å; T303-L306 PolarHBondContact O-N 3.4Å; T303-A307 PolarHBondContact O-N 3.11Å |
| 304 | R | 97.5 | Very high | 96.8 | Very high | 158 Ų | 158 | 103.7 Ų | 103.7 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 175.1 | -72.5 | 174.4 | -172.4 | 110.3 | 7.5 | 111.9 | E300 Q301 Y302 A308 | E300-R304 WeakPolarHBondContact O-CB 3.02Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.43Å; E300-R304 PolarHBondContact O-N 2.88Å; E300-R304 IonicContact OE2-CZ 2.87Å; E300-R304 VanDerWaalsContact OE2-CZ 3.23Å; E300-R304 IonicContact OE2-NH1 3.73Å; E300-R304 PolarHBondContact OE2-NH1 3.44Å; E300-R304 IonicContact OE2-NH2 3.79Å; E300-R304 PolarHBondContact OE2-NH2 3.06Å; Q301-R304 PolarHBondContact O-N 3.42Å; Y302-R304 PolarHBondContact O-N 3.38Å; R304-A308 WeakPolarHBondContact O-CB 3.42Å; R304-A308 PolarHBondContact O-N 3.29Å |
| 305 | S | 97.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 103.8 Ų | 103.8 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | Q301 Y302 A308 L309 | Q301-S305 WeakPolarHBondContact O-CB 3.43Å; Q301-S305 PolarHBondContact O-N 3.02Å; Y302-S305 PolarHBondContact O-N 3.3Å; S305-A308 PolarHBondContact O-N 3.37Å; S305-L309 WeakPolarHBondContact O-CG 3.46Å; S305-L309 PolarHBondContact O-N 3.5Å |
| 306 | L | 97.6 | Very high | 97 | Very high | 98 Ų | 98 | 106.2 Ų | 106.2 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.9 | -172.5 | 138.9 | 0 | 0 | 0 | 111.6 | Y302 T303 A308 L309 E310 | Y302-L306 WeakPolarHBondContact O-CB 3.33Å; Y302-L306 PolarHBondContact O-N 2.98Å; T303-L306 PolarHBondContact O-N 3.4Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 3.36Å; L306-L309 PolarHBondContact O-N 2.89Å; L306-E310 HydrophobicContact CD2-CG 4.32Å; L306-E310 WeakPolarHBondContact O-CG 3.45Å; L306-E310 PolarHBondContact O-N 3.19Å |
| 307 | A | 97.3 | Very high | 97 | Very high | 50 Ų | 50 | 110.4 Ų | 110.4 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T303 E310 Q311 | T303-A307 PolarHBondContact O-N 3.11Å; A307-E310 PolarHBondContact O-N 2.85Å; A307-Q311 WeakPolarHBondContact O-CB 3.44Å; A307-Q311 PolarHBondContact O-N 2.96Å |
| 308 | A | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 109 Ų | 109 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R304 S305 L306 Q311 Q312 | R304-A308 WeakPolarHBondContact O-CB 3.42Å; R304-A308 PolarHBondContact O-N 3.29Å; S305-A308 PolarHBondContact O-N 3.37Å; L306-A308 VanDerWaalsContact C-N 3.31Å; L306-A308 PolarHBondContact O-N 3.36Å; A308-Q311 PolarHBondContact O-N 2.66Å; A308-Q312 WeakPolarHBondContact O-CG 3.41Å; A308-Q312 PolarHBondContact O-N 2.91Å |
| 309 | L | 97.7 | Very high | 96.9 | Very high | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 174.3 | -76.1 | 162.3 | 0 | 0 | 0 | 111.8 | S305 L306 Q311 Q312 C313 | S305-L309 WeakPolarHBondContact O-CG 3.46Å; S305-L309 PolarHBondContact O-N 3.5Å; L306-L309 PolarHBondContact O-N 2.89Å; L309-Q311 PolarHBondContact O-N 3.18Å; L309-Q312 PolarHBondContact O-N 3.37Å; L309-C313 PolarHBondContact O-N 3.19Å; L309-C313 PolarHBondContact O-SG 3.36Å; L309-C313 VanDerWaalsContact O-SG 3.34Å |
| 310 | E | 96.5 | Very high | 96.9 | Very high | 116 Ų | 116 | 104.7 Ų | 104.7 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 173.7 | -72.9 | 177.7 | 152 | 0 | 0 | 111.5 | L306 A307 Q312 C313 D314 | L306-E310 HydrophobicContact CD2-CG 4.32Å; L306-E310 WeakPolarHBondContact O-CG 3.45Å; L306-E310 PolarHBondContact O-N 3.19Å; A307-E310 PolarHBondContact O-N 2.85Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.91Å; E310-C313 WeakPolarHBondContact O-CB 3.4Å; E310-C313 PolarHBondContact O-N 2.91Å; E310-D314 PolarHBondContact O-N 3.43Å |
| 311 | Q | 97.4 | Very high | 96.8 | Very high | 147 Ų | 147 | 107.1 Ų | 107.1 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.9 | -42.2 | 175.4 | -173.8 | -179.2 | 6.4 | 0 | 0 | 111.9 | A307 A308 L309 D314 E315 | A307-Q311 WeakPolarHBondContact O-CB 3.44Å; A307-Q311 PolarHBondContact O-N 2.96Å; A308-Q311 PolarHBondContact O-N 2.66Å; L309-Q311 PolarHBondContact O-N 3.18Å; Q311-D314 PolarHBondContact O-N 3.25Å; Q311-E315 WeakPolarHBondContact O-CB 3.44Å; Q311-E315 PolarHBondContact O-N 3.34Å |
| 312 | Q | 97.6 | Very high | 96.7 | Very high | 112 Ų | 112 | 105.5 Ų | 105.5 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 174.3 | -74.5 | -178 | -2 | 0 | 0 | 111.5 | A308 L309 E310 D314 E315 H316 | A308-Q312 WeakPolarHBondContact O-CG 3.41Å; A308-Q312 PolarHBondContact O-N 2.91Å; L309-Q312 PolarHBondContact O-N 3.37Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.91Å; Q312-D314 VanDerWaalsContact C-N 3.31Å; Q312-D314 PolarHBondContact O-N 3.01Å; Q312-E315 PolarHBondContact O-N 2.99Å; Q312-H316 PolarHBondContact O-CD2 3.39Å; Q312-H316 PolarHBondContact O-N 3.29Å |
| 313 | C | 96.9 | Very high | 96.6 | Very high | 72 Ų | 72 | 103.1 Ų | 103.1 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 175.4 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | L309 E310 R317 | L309-C313 PolarHBondContact O-N 3.19Å; L309-C313 PolarHBondContact O-SG 3.36Å; L309-C313 VanDerWaalsContact O-SG 3.34Å; E310-C313 WeakPolarHBondContact O-CB 3.4Å; E310-C313 PolarHBondContact O-N 2.91Å; C313-R317 VanDerWaalsContact O-CB 3.22Å; C313-R317 WeakPolarHBondContact O-CB 3.34Å; C313-R317 PolarHBondContact O-N 3.34Å |
| 314 | D | 96.5 | Very high | 96.5 | Very high | 89 Ų | 89 | 105.1 Ų | 105.1 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 175.7 | -91.7 | -27.3 | 0 | 0 | 0 | 113.1 | E310 Q311 Q312 R317 K318 | E310-D314 PolarHBondContact O-N 3.43Å; Q311-D314 PolarHBondContact O-N 3.25Å; Q312-D314 VanDerWaalsContact C-N 3.31Å; Q312-D314 PolarHBondContact O-N 3.01Å; D314-R317 PolarHBondContact O-N 3.5Å; D314-R317 IonicContact OD1-CZ 2.66Å; D314-R317 IonicContact OD1-NH1 3.26Å; D314-R317 PolarHBondContact OD1-NH1 3.45Å; D314-K318 WeakPolarHBondContact O-CB 3.41Å; D314-K318 PolarHBondContact O-N 3.41Å |
| 315 | E | 96.9 | Very high | 96.2 | Very high | 94 Ų | 94 | 100.5 Ų | 100.5 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 176 | -149.9 | -166.3 | -168.6 | 0 | 0 | 111.7 | Q311 Q312 K318 R319 | Q311-E315 WeakPolarHBondContact O-CB 3.44Å; Q311-E315 PolarHBondContact O-N 3.34Å; Q312-E315 PolarHBondContact O-N 2.99Å; E315-K318 PolarHBondContact O-N 2.93Å; E315-R319 WeakPolarHBondContact O-CG 3.22Å; E315-R319 PolarHBondContact O-N 3.26Å; E315-R319 IonicContact OE1-CZ 2.79Å; E315-R319 IonicContact OE1-NH1 2.62Å; E315-R319 IonicContact OE1-NH2 3.7Å; E315-R319 PolarHBondContact OE1-NH2 2.69Å; E315-R319 IonicContact OE2-CZ 2.99Å; E315-R319 VanDerWaalsContact OE2-CZ 3.26Å; E315-R319 IonicContact OE2-NH1 3.52Å; E315-R319 PolarHBondContact OE2-NH1 2.79Å; E315-R319 IonicContact OE2-NH2 2.69Å; E315-R319 PolarHBondContact OE2-NH2 3.43Å |
| 316 | H | 96.3 | Very high | 96.1 | Very high | 124 Ų | 124 | 102.8 Ų | 102.8 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 170.6 | -79.9 | -72.3 | 0 | 0 | 0 | 111.7 | Q312 K318 R319 A320 | Q312-H316 PolarHBondContact O-CD2 3.39Å; Q312-H316 PolarHBondContact O-N 3.29Å; H316-K318 VanDerWaalsContact C-N 3.33Å; H316-K318 PolarHBondContact O-N 3.37Å; H316-R319 PolarHBondContact O-N 2.81Å; H316-A320 WeakPolarHBondContact O-CB 3.44Å; H316-A320 PolarHBondContact O-N 3.44Å |
| 317 | R | 96.6 | Very high | 95.8 | Very high | 137 Ų | 137 | 101 Ų | 101 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 175.4 | -175.4 | -178 | -69.8 | 140.7 | -4.4 | 112 | C313 D314 K321 | C313-R317 VanDerWaalsContact O-CB 3.22Å; C313-R317 WeakPolarHBondContact O-CB 3.34Å; C313-R317 PolarHBondContact O-N 3.34Å; D314-R317 PolarHBondContact O-N 3.5Å; D314-R317 IonicContact OD1-CZ 2.66Å; D314-R317 IonicContact OD1-NH1 3.26Å; D314-R317 PolarHBondContact OD1-NH1 3.45Å; R317-K321 WeakPolarHBondContact O-CG 3.42Å; R317-K321 PolarHBondContact O-N 2.91Å; R317-K321 VanDerWaalsContact O-N 3.12Å |
| 318 | K | 96.6 | Very high | 95.5 | Very high | 145 Ų | 145 | 103.7 Ų | 103.7 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.3 | -48.7 | 174.6 | -173.6 | -179.8 | 178.1 | -176.1 | 0 | 111.5 | D314 E315 H316 A320 K321 E322 | D314-K318 WeakPolarHBondContact O-CB 3.41Å; D314-K318 PolarHBondContact O-N 3.41Å; E315-K318 PolarHBondContact O-N 2.93Å; H316-K318 VanDerWaalsContact C-N 3.33Å; H316-K318 PolarHBondContact O-N 3.37Å; K318-A320 VanDerWaalsContact C-N 3.3Å; K318-A320 PolarHBondContact O-N 2.88Å; K318-K321 PolarHBondContact O-N 2.88Å; K318-K321 VanDerWaalsContact O-N 3.17Å; K318-E322 PolarHBondContact O-N 3.38Å |
| 319 | R | 95.2 | Very high | 95.2 | Very high | 114 Ų | 114 | 107.4 Ų | 107.4 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.2 | -42 | 174.7 | -72.4 | -178.2 | -178.1 | 102.1 | 7.1 | 111.8 | E315 H316 E322 L323 | E315-R319 WeakPolarHBondContact O-CG 3.22Å; E315-R319 PolarHBondContact O-N 3.26Å; E315-R319 IonicContact OE1-CZ 2.79Å; E315-R319 IonicContact OE1-NH1 2.62Å; E315-R319 IonicContact OE1-NH2 3.7Å; E315-R319 PolarHBondContact OE1-NH2 2.69Å; E315-R319 IonicContact OE2-CZ 2.99Å; E315-R319 VanDerWaalsContact OE2-CZ 3.26Å; E315-R319 IonicContact OE2-NH1 3.52Å; E315-R319 PolarHBondContact OE2-NH1 2.79Å; E315-R319 IonicContact OE2-NH2 2.69Å; E315-R319 PolarHBondContact OE2-NH2 3.43Å; H316-R319 PolarHBondContact O-N 2.81Å; R319-E322 PolarHBondContact O-N 2.93Å; R319-L323 WeakPolarHBondContact O-CB 3.35Å; R319-L323 WeakPolarHBondContact O-CG 3.34Å; R319-L323 PolarHBondContact O-N 3.17Å |
| 320 | A | 95 | Very high | 94.9 | Very high | 57 Ų | 57 | 108.2 Ų | 108.2 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H316 K318 K324 | H316-A320 WeakPolarHBondContact O-CB 3.44Å; H316-A320 PolarHBondContact O-N 3.44Å; K318-A320 VanDerWaalsContact C-N 3.3Å; K318-A320 PolarHBondContact O-N 2.88Å; A320-K324 WeakPolarHBondContact O-CB 3.31Å; A320-K324 PolarHBondContact O-N 3.35Å |
| 321 | K | 95.1 | Very high | 94.4 | Very high | 144 Ų | 144 | 106.5 Ų | 106.5 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 173.6 | -73.9 | 172.2 | 179.7 | 179.5 | 0 | 111.9 | R317 K318 K324 S325 | R317-K321 WeakPolarHBondContact O-CG 3.42Å; R317-K321 PolarHBondContact O-N 2.91Å; R317-K321 VanDerWaalsContact O-N 3.12Å; K318-K321 PolarHBondContact O-N 2.88Å; K318-K321 VanDerWaalsContact O-N 3.17Å; K321-K324 PolarHBondContact O-N 3.14Å; K321-S325 PolarHBondContact O-N 3.36Å |
| 322 | E | 94.9 | Very high | 93.9 | Very high | 88 Ų | 88 | 104.3 Ų | 104.3 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 178.5 | -170.3 | -174.1 | 154.7 | 0 | 0 | 112.4 | K318 R319 K324 S325 K326 | K318-E322 PolarHBondContact O-N 3.38Å; R319-E322 PolarHBondContact O-N 2.93Å; E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 3.33Å; E322-S325 PolarHBondContact O-N 3.44Å; E322-S325 PolarHBondContact O-OG 2.89Å; E322-K326 HydrophobicContact CG-CD 4.37Å; E322-K326 WeakPolarHBondContact O-CB 3.37Å; E322-K326 WeakPolarHBondContact O-CG 3.39Å; E322-K326 PolarHBondContact O-N 3.12Å; E322-K326 WeakPolarHBondContact OE1-CE 3.38Å; E322-K326 IonicContact OE1-NZ 2.72Å; E322-K326 PolarHBondContact OE1-NZ 2.98Å |
| 323 | L | 94.4 | Very high | 93.4 | Very high | 118 Ų | 118 | 101.9 Ų | 101.9 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 172.6 | -76.3 | 166 | 0 | 0 | 0 | 111.4 | R319 S327 | R319-L323 WeakPolarHBondContact O-CB 3.35Å; R319-L323 WeakPolarHBondContact O-CG 3.34Å; R319-L323 PolarHBondContact O-N 3.17Å; L323-S327 VanDerWaalsContact O-CB 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.14Å; L323-S327 PolarHBondContact O-N 2.91Å |
| 324 | K | 94.4 | Very high | 92.6 | Very high | 138 Ų | 138 | 103.7 Ų | 103.7 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 174.9 | -170.4 | 173 | -177.5 | 175.8 | 0 | 112 | A320 K321 E322 S327 Q328 | A320-K324 WeakPolarHBondContact O-CB 3.31Å; A320-K324 PolarHBondContact O-N 3.35Å; K321-K324 PolarHBondContact O-N 3.14Å; E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 3.33Å; K324-S327 PolarHBondContact O-N 2.96Å; K324-Q328 WeakPolarHBondContact O-CB 3.44Å; K324-Q328 VanDerWaalsContact O-CG 3.31Å; K324-Q328 WeakPolarHBondContact O-CG 3.35Å; K324-Q328 PolarHBondContact O-N 2.86Å |
| 325 | S | 92.7 | Very high | 91.4 | Very high | 62 Ų | 62 | 105.3 Ų | 105.3 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 177.4 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | K321 E322 Q328 H329 | K321-S325 PolarHBondContact O-N 3.36Å; E322-S325 PolarHBondContact O-N 3.44Å; E322-S325 PolarHBondContact O-OG 2.89Å; S325-Q328 PolarHBondContact O-N 2.62Å; S325-H329 WeakPolarHBondContact O-CB 3.25Å; S325-H329 PolarHBondContact O-N 3.27Å |
| 326 | K | 95.2 | Very high | 89.9 | Confident | 109 Ų | 109 | 107.7 Ų | 107.7 | 47% | 0.474 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 172 | -73 | 175.8 | -177.2 | 172.7 | 0 | 111.7 | E322 H329 L330 | E322-K326 HydrophobicContact CG-CD 4.37Å; E322-K326 WeakPolarHBondContact O-CB 3.37Å; E322-K326 WeakPolarHBondContact O-CG 3.39Å; E322-K326 PolarHBondContact O-N 3.12Å; E322-K326 WeakPolarHBondContact OE1-CE 3.38Å; E322-K326 IonicContact OE1-NZ 2.72Å; E322-K326 PolarHBondContact OE1-NZ 2.98Å; K326-H329 PolarHBondContact O-N 2.85Å; K326-L330 WeakPolarHBondContact O-CG 3.42Å; K326-L330 PolarHBondContact O-N 3.33Å |
| 327 | S | 90.9 | Very high | 88.3 | Confident | 62 Ų | 62 | 107.6 Ų | 107.6 | 43% | 0.434 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | L323 K324 L330 N331 | L323-S327 VanDerWaalsContact O-CB 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.14Å; L323-S327 PolarHBondContact O-N 2.91Å; K324-S327 PolarHBondContact O-N 2.96Å; S327-L330 PolarHBondContact O-N 2.87Å; S327-N331 WeakPolarHBondContact O-CB 3.38Å; S327-N331 PolarHBondContact O-N 2.87Å; S327-N331 PolarHBondContact O-ND2 3.36Å |
| 328 | Q | 90.9 | Very high | 86.3 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 50% | 0.495 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 173 | -76.8 | 175.3 | -27.4 | 0 | 0 | 112 | K324 S325 N331 N332 | K324-Q328 WeakPolarHBondContact O-CB 3.44Å; K324-Q328 VanDerWaalsContact O-CG 3.31Å; K324-Q328 WeakPolarHBondContact O-CG 3.35Å; K324-Q328 PolarHBondContact O-N 2.86Å; S325-Q328 PolarHBondContact O-N 2.62Å; Q328-N331 PolarHBondContact O-N 3.47Å; Q328-N332 PolarHBondContact O-N 2.83Å; Q328-N332 PolarHBondContact O-ND2 2.92Å |
| 329 | H | 91.6 | Very high | 84.4 | Confident | 123 Ų | 123 | 103.9 Ų | 103.9 | 57% | 0.569 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.5 | -46.5 | 175.3 | -178.3 | 68 | 0 | 0 | 0 | 111.4 | S325 K326 N331 N332 V333 | S325-H329 WeakPolarHBondContact O-CB 3.25Å; S325-H329 PolarHBondContact O-N 3.27Å; K326-H329 PolarHBondContact O-N 2.85Å; H329-N331 PolarHBondContact O-N 3.29Å; H329-N332 PolarHBondContact O-N 3.23Å; H329-V333 WeakPolarHBondContact O-CG2 3.29Å; H329-V333 PolarHBondContact O-N 3.39Å |
| 330 | L | 91.3 | Very high | 82.4 | Confident | 116 Ų | 116 | 102.9 Ų | 102.9 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.6 | -40.3 | 175.4 | -70.6 | 172 | 0 | 0 | 0 | 112.5 | K326 S327 V333 L334 | K326-L330 WeakPolarHBondContact O-CG 3.42Å; K326-L330 PolarHBondContact O-N 3.33Å; S327-L330 PolarHBondContact O-N 2.87Å; L330-V333 PolarHBondContact O-N 3.35Å; L330-L334 VanDerWaalsContact O-CB 3.29Å; L330-L334 WeakPolarHBondContact O-CB 3.42Å; L330-L334 PolarHBondContact O-N 3.43Å |
| 331 | N | 86.9 | Confident | 80.2 | Confident | 80 Ų | 80 | 106.2 Ų | 106.2 | 43% | 0.428 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.6 | -43.3 | 173.9 | -86 | -84.1 | 0 | 0 | 0 | 111.9 | S327 Q328 H329 L334 M335 | S327-N331 WeakPolarHBondContact O-CB 3.38Å; S327-N331 PolarHBondContact O-N 2.87Å; S327-N331 PolarHBondContact O-ND2 3.36Å; Q328-N331 PolarHBondContact O-N 3.47Å; H329-N331 PolarHBondContact O-N 3.29Å; N331-L334 PolarHBondContact O-N 2.89Å; N331-M335 WeakPolarHBondContact O-CB 3.45Å; N331-M335 VanDerWaalsContact O-CG 3.24Å; N331-M335 WeakPolarHBondContact O-CG 3.24Å; N331-M335 PolarHBondContact O-N 2.87Å |
| 332 | N | 86.3 | Confident | 78.4 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 54% | 0.535 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -41.9 | 175.6 | -75.5 | -58.8 | 0 | 0 | 0 | 112 | Q328 H329 M335 N336 | Q328-N332 PolarHBondContact O-N 2.83Å; Q328-N332 PolarHBondContact O-ND2 2.92Å; H329-N332 PolarHBondContact O-N 3.23Å; N332-M335 PolarHBondContact O-N 2.86Å; N332-N336 WeakPolarHBondContact O-CB 3.49Å; N332-N336 VanDerWaalsContact O-CG 3.31Å; N332-N336 PolarHBondContact O-N 2.87Å; N332-N336 PolarHBondContact O-OD1 3.49Å |
| 333 | V | 86.8 | Confident | 76.3 | Confident | 61 Ų | 61 | 105.9 Ų | 105.9 | 37% | 0.37 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.5 | -42.4 | 174.4 | 170.2 | 0 | 0 | 0 | 0 | 111 | H329 L330 N336 L337 | H329-V333 WeakPolarHBondContact O-CG2 3.29Å; H329-V333 PolarHBondContact O-N 3.39Å; L330-V333 PolarHBondContact O-N 3.35Å; V333-N336 PolarHBondContact O-N 3.22Å; V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.34Å; V333-L337 PolarHBondContact O-N 2.95Å |
| 334 | L | 79.6 | Confident | 74.3 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 58% | 0.581 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.7 | -42.1 | 176.6 | -175.7 | 62.6 | 0 | 0 | 0 | 112 | L330 N331 N336 L337 T338 | L330-L334 VanDerWaalsContact O-CB 3.29Å; L330-L334 WeakPolarHBondContact O-CB 3.42Å; L330-L334 PolarHBondContact O-N 3.43Å; N331-L334 PolarHBondContact O-N 2.89Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.29Å; L334-L337 CarbonylContact O-C 3.51Å; L334-L337 PolarHBondContact O-N 3.27Å; L334-L337 VanDerWaalsContact O-N 3.14Å; L334-T338 PolarHBondContact O-N 3.41Å |
| 335 | M | 70.8 | Confident | 72.3 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 61% | 0.606 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.6 | -37.4 | 175.3 | -69.7 | -67.2 | 162.8 | 0 | 0 | 111.9 | N331 N332 L337 T338 | N331-M335 WeakPolarHBondContact O-CB 3.45Å; N331-M335 VanDerWaalsContact O-CG 3.24Å; N331-M335 WeakPolarHBondContact O-CG 3.24Å; N331-M335 PolarHBondContact O-N 2.87Å; N332-M335 PolarHBondContact O-N 2.86Å; M335-L337 PolarHBondContact O-N 3.41Å; M335-T338 WeakPolarHBondContact O-CB 3.4Å; M335-T338 PolarHBondContact O-N 3.46Å; M335-T338 PolarHBondContact O-OG1 2.84Å |
| 336 | N | 66.5 | Low | 70.3 | Confident | 143 Ų | 143 | 106.5 Ų | 106.5 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.9 | -14.2 | 175 | -71.4 | 17.2 | 0 | 0 | 0 | 113.7 | N332 V333 L334 | N332-N336 WeakPolarHBondContact O-CB 3.49Å; N332-N336 VanDerWaalsContact O-CG 3.31Å; N332-N336 PolarHBondContact O-N 2.87Å; N332-N336 PolarHBondContact O-OD1 3.49Å; V333-N336 PolarHBondContact O-N 3.22Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.29Å |
| 337 | L | 61.9 | Low | 68 | Low | 123 Ų | 123 | 111 Ų | 111 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 4.9 | 174.4 | -71.1 | 169.3 | 0 | 0 | 0 | 113 | V333 L334 M335 P339 | V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.34Å; V333-L337 PolarHBondContact O-N 2.95Å; L334-L337 CarbonylContact O-C 3.51Å; L334-L337 PolarHBondContact O-N 3.27Å; L334-L337 VanDerWaalsContact O-N 3.14Å; M335-L337 PolarHBondContact O-N 3.41Å; L337-P339 WeakPolarHBondContact O-CD 3.3Å |
| 338 | T | 54.8 | Low | 66.2 | Low | 91 Ų | 91 | 119.8 Ų | 119.8 | 56% | 0.558 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.2 | 177.9 | -47.9 | 0 | 0 | 0 | 0 | 109.8 | L334 M335 A340 | L334-T338 PolarHBondContact O-N 3.41Å; M335-T338 WeakPolarHBondContact O-CB 3.4Å; M335-T338 PolarHBondContact O-N 3.46Å; M335-T338 PolarHBondContact O-OG1 2.84Å; T338-A340 PolarHBondContact O-N 3.37Å |
| 339 | P | 56.1 | Low | 63.9 | Low | 113 Ų | 113 | 120.4 Ų | 120.4 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 138.9 | -178.5 | -23.9 | 34.3 | 0 | 0 | 0 | 112 | L337 | L337-P339 WeakPolarHBondContact O-CD 3.3Š|
| 340 | A | 53.7 | Low | 61.6 | Low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 138.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T338 S342 | T338-A340 PolarHBondContact O-N 3.37Å; A340-S342 PolarHBondContact O-N 2.69Å |
| 341 | P | 49.6 | Very low | 59.4 | Low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.4 | -175.2 | 25.7 | -34 | 0 | 0 | 0 | 111.3 | ||
| 342 | S | 56.5 | Low | 57.2 | Low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 146 | 174.7 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | A340 | A340-S342 PolarHBondContact O-N 2.69Š|
| 343 | P | 52.4 | Low | 54.8 | Low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 153.2 | -178.6 | 27.8 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 344 | P | 51.6 | Low | 52.5 | Low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70 | 149.1 | -168.4 | 28 | -35.5 | 0 | 0 | 0 | 113.6 | A346 | P344-A346 PolarHBondContact O-N 3.37Š|
| 345 | A | 51.8 | Low | 50.5 | Low | 104 Ų | 104 | 141.4 Ų | 141.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 346 | A | 50.6 | Low | 48.9 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 151.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P344 | P344-A346 PolarHBondContact O-N 3.37Š|
| 347 | K | 48.1 | Very low | 47.4 | Very low | 204 Ų | 204 | 137.6 Ų | 137.6 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 139.8 | -166.5 | -61.8 | 168.2 | -177 | 174 | 0 | 112.7 | ||
| 348 | R | 52.8 | Low | 47 | Very low | 247 Ų | 247 | 137.8 Ų | 137.8 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 148.2 | 176.1 | -61.9 | -179.5 | 179.5 | -171.4 | -0.4 | 112.7 | ||
| 349 | P | 41.8 | Very low | 46.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -121.8 | 122.1 | 147.2 | 33.6 | -22.2 | 0 | 0 | 0 | 113.6 | ||||
| 350 | R | 44.5 | Very low | 45.1 | Very low | 248 Ų | 248 | 137.3 Ų | 137.3 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | 50.1 | 131.6 | 137.5 | -151.4 | 170 | -173.7 | 173.4 | 0.8 | 122.4 | ||||
| 351 | L | 45.3 | Very low | 44.4 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | trans | -57.2 | 147.2 | 173.2 | -67.9 | 152.5 | 0 | 0 | 0 | 116.3 | ||||
| 352 | T | 40 | Very low | 43.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 91% | 0.908 | 83% | 0.829 | S | S | * | * | trans | -141.8 | 167.3 | 144.5 | 41.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 353 | R | 36.4 | Very low | 42.7 | Very low | 238 Ų | 238 | 140.1 Ų | 140.1 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -131.6 | 135.7 | -147.1 | 169.1 | 179.9 | -178.9 | 155.4 | 2.4 | 114.4 | ||||
| 354 | A | 36.8 | Very low | 41.9 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | trans | 53.6 | 141 | 150.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 355 | V | 38 | Very low | 41.7 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | -152.1 | 150.3 | 120.2 | 109.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 356 | S | 38.3 | Very low | 40.9 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -87.4 | 141.4 | -177.5 | -45.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 357 | G | 35 | Very low | 40.3 | Very low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | 103.7 | 170.8 | 85.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 358 | P | 53.7 | Low | 39.6 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | cis | -139 | 169.9 | -4.2 | 42.9 | -25.5 | 0 | 0 | 0 | 117.7 | ||||
| 359 | A | 34.9 | Very low | 38.3 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | 57.6 | 125.7 | 141 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 360 | A | 35.3 | Very low | 37.9 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | -158.3 | 117.6 | 124.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 361 | V | 39.8 | Very low | 38 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | 51.6 | 110.1 | 149.7 | -56.7 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 362 | N | 34.8 | Very low | 37.5 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | 63.2 | 116 | 122.7 | -66.2 | 11.1 | 0 | 0 | 0 | 125 | |||||
| 363 | A | 35.3 | Very low | 37.2 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | 90.1 | 114 | 120.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 364 | T | 36.3 | Very low | 37 | Very low | 135 Ų | 135 | 126 Ų | 126 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -83.6 | -177.2 | 164.1 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 365 | P | 46 | Very low | 36.9 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -126.7 | 169.9 | -28.7 | 26.9 | -6.7 | 0 | 0 | 0 | 113.1 | ||||
| 366 | T | 34.4 | Very low | 36.5 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -95.1 | 136.4 | 178.4 | -35.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 367 | Q | 38.8 | Very low | 36.1 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -147.5 | 160.1 | 167.2 | -87.7 | -70.7 | -0 | 0 | 0 | 110 | ||||
| 368 | I | 33.3 | Very low | 35.9 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 85.2 | 102.6 | 166.2 | -46.5 | -175.4 | 0 | 0 | 0 | 119.6 | ||||
| 369 | A | 26.3 | Very low | 34.7 | Very low | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | 41.5 | 130.4 | 128.7 | 0 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 370 | L | 31.7 | Very low | 34.4 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | 37.8 | 159.8 | 120.6 | -67.2 | 160.3 | 0 | 0 | 0 | 121.7 | |||||
| 371 | P | 47.9 | Very low | 34.1 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | -141.1 | 173.9 | 6.1 | 37.8 | -16.3 | 0 | 0 | 0 | 118.6 | ||||
| 372 | L | 35.3 | Very low | 33.6 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 36.7 | 123.5 | 138.8 | -163.6 | 72.4 | 0 | 0 | 0 | 123.1 | ||||
| 373 | S | 32.2 | Very low | 33.3 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -162.7 | 114.7 | 147.7 | -80.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 374 | Q | 33.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | 57.4 | 110.4 | 128.3 | -61.9 | -171.9 | -31.9 | 0 | 0 | 124.7 | |||||
| 375 | L | 33.4 | Very low | 33 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | 58.8 | 129 | 121.4 | -78.4 | 162 | 0 | 0 | 0 | 124.4 | |||||
| 376 | S | 30 | Very low | 32.3 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 83.1 | 129.1 | 140.7 | -61.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 377 | G | 30.8 | Very low | 31.9 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 155.4 | 56.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 378 | L | 28.8 | Very low | 31.5 | Very low | 159 Ų | 159 | 126 Ų | 126 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 41.4 | 119.9 | 146.9 | -69.3 | 160.4 | 0 | 0 | 0 | 123.6 | ||||
| 379 | T | 29.3 | Very low | 31.4 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 63.4 | 133.5 | 138.8 | 63.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 380 | V | 28.7 | Very low | 31.8 | Very low | 130 Ų | 130 | 128 Ų | 128 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | -164.2 | 142 | 63.7 | 157 | 0 | 0 | 0 | 0 | 112 | |||||
| 381 | A | 29.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 31.5 | 129.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 382 | G | 28.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 164.1 | 91.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 383 | A | 29.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 42.3 | 122.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 384 | Q | 32.3 | Very low | 30.6 | Very low | 190 Ų | 190 | 125.8 Ų | 125.8 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 71 | 135.8 | 135 | -67.5 | -159 | 4.7 | 0 | 0 | 124.6 | ||||
| 385 | A | 31.4 | Very low | 30.4 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | 65.4 | 90.6 | 137 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 386 | G | 31.5 | Very low | 30.2 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | 50.3 | 114.2 | 118.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 387 | S | 26.1 | Very low | 30 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -150.4 | 154.9 | 143.7 | -166.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 388 | Y | 31 | Very low | 30 | Very low | 203 Ų | 203 | 124 Ų | 124 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -79 | 150.4 | -177.7 | 43.3 | -90.7 | 0 | 0 | 0 | 112.2 | ||||
| 389 | T | 31.6 | Very low | 29.9 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -104.4 | 125.8 | 176.6 | -44.2 | 0 | 0 | 0 | 0 | 110.6 | L391 | T389-L391 HydrophobicContact CG2-CG 4Š| ||
| 390 | L | 35.2 | Very low | 29.9 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -94.5 | 129.3 | 158.7 | -70.5 | 174.6 | 0 | 0 | 0 | 108.5 | ||||
| 391 | L | 26.9 | Very low | 29.8 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -123.2 | 113.4 | 166.1 | -75.6 | 178 | 0 | 0 | 0 | 111.3 | T389 | T389-L391 HydrophobicContact CG2-CG 4Š| ||
| 392 | T | 29.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -69.9 | 149.1 | 161.3 | 158.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 393 | S | 26.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -175.1 | 162.2 | 132.9 | -84.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 394 | P | 37.1 | Very low | 29.9 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | trans | -130.1 | 170.7 | -147.5 | 42.5 | -27.7 | 0 | 0 | 0 | 118.7 | ||||
| 395 | L | 31 | Very low | 30.2 | Very low | 163 Ų | 163 | 123.6 Ų | 123.6 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 18.9 | 138.3 | 152.2 | -76.2 | 90 | 0 | 0 | 0 | 123.6 | ||||
| 396 | S | 28.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | -169.8 | 147.6 | 123.8 | -74.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 397 | G | 27 | Very low | 30.4 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | 165.5 | 132.9 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 398 | S | 30.3 | Very low | 30.7 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 62.3 | 137.4 | 173.1 | -58.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 399 | E | 26.9 | Very low | 31 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | -157.6 | 140.9 | 65.4 | -82.1 | -85.6 | 81.6 | 0 | 0 | 113.2 | |||||
| 400 | L | 29 | Very low | 30.7 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 14 | 130 | 156.5 | -65.7 | 160.3 | 0 | 0 | 0 | 122.9 | ||||
| 401 | G | 26.7 | Very low | 30.5 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 165.7 | 100.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 402 | A | 31.4 | Very low | 30.6 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -99.7 | 142.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 403 | D | 27.9 | Very low | 30.6 | Very low | 169 Ų | 169 | 120.6 Ų | 120.6 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | -166.7 | 158.1 | 126.9 | -125 | -34.8 | 0 | 0 | 0 | 113.7 | |||||
| 404 | G | 31.2 | Very low | 30.9 | Very low | 67 Ų | 67 | 122.3 Ų | 122.3 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | 81 | 97.4 | 151 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 405 | S | 38.3 | Very low | 30.5 | Very low | 118 Ų | 118 | 121 Ų | 121 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -51.2 | 165.9 | 149.6 | -45.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 406 | N | 32 | Very low | 30.6 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | cis | -161.9 | 157.9 | 28.4 | 53.1 | -81 | 0 | 0 | 0 | 113.5 | ||||
| 407 | V | 34.1 | Very low | 30.6 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -85 | 151.7 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | V409 | V407-V409 HydrophobicContact CG1-CG2 4.02Š| ||
| 408 | T | 33.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 120.2 | 145.4 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | V | 36.5 | Very low | 30.7 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 70% | 0.703 | 81% | 0.813 | S | S | * | * | trans | -103.1 | 140.7 | 165.4 | 174.1 | 0 | 0 | 0 | 0 | 107.5 | V407 | V407-V409 HydrophobicContact CG1-CG2 4.02Š| ||
| 410 | L | 25.4 | Very low | 30.8 | Very low | 164 Ų | 164 | 118.9 Ų | 118.9 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -148.7 | 123.8 | 161.8 | -106.5 | 165.8 | 0 | 0 | 0 | 111.7 | ||||
| 411 | S | 30.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -101.4 | 144.1 | 172.7 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 412 | A | 28.9 | Very low | 30.9 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -172 | 156.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 413 | A | 29.9 | Very low | 31.5 | Very low | 98 Ų | 98 | 115.8 Ų | 115.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | cis | -164.2 | 156.3 | -29.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 414 | T | 32.3 | Very low | 31.7 | Very low | 149 Ų | 149 | 112.5 Ų | 112.5 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | -76 | 139.5 | 174.3 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 415 | G | 30.3 | Very low | 32.2 | Very low | 79 Ų | 79 | 115.3 Ų | 115.3 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -139.5 | 139.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 416 | Q | 33.4 | Very low | 32 | Very low | 210 Ų | 210 | 112.8 Ų | 112.8 | 98% | 0.981 | 82% | 0.816 | S | S | * | * | trans | -111.7 | 147.3 | 179.6 | -71.2 | 171.4 | -35.4 | 0 | 0 | 110.4 | ||||
| 417 | G | 27.8 | Very low | 32.2 | Very low | 74 Ų | 74 | 111.7 Ų | 111.7 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | 148.5 | 81.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 418 | A | 29.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | 60 | 140.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 419 | A | 28.8 | Very low | 32.2 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | 91.4 | 109.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 420 | A | 29.3 | Very low | 31.8 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | 66 | 124.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 421 | G | 26.6 | Very low | 32.2 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | trans | 128.9 | 101.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 422 | S | 32.7 | Very low | 32.4 | Very low | 125 Ų | 125 | 117 Ų | 117 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | 35.9 | 123.6 | 149.7 | 59.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 423 | G | 42.8 | Very low | 32.7 | Very low | 86 Ų | 86 | 114.9 Ų | 114.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | 77.1 | 91 | 137.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 424 | A | 33.3 | Very low | 33.4 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -127.4 | 105.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | G426 | A424-G426 PolarHBondContact O-N 2.89Š| ||
| 425 | S | 39.7 | Very low | 34.1 | Very low | 126 Ų | 126 | 117 Ų | 117 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | trans | -64.8 | 124.2 | 167.8 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | S427 | S425-S427 PolarHBondContact O-N 3.32Š| ||
| 426 | G | 34.1 | Very low | 34.3 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | -67.5 | 119.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A424 F428 | A424-G426 PolarHBondContact O-N 2.89Å; G426-F428 PolarHBondContact O-N 3.06Å | ||
| 427 | S | 37.4 | Very low | 34.3 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -74.7 | 112.1 | 173.1 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | S425 | S425-S427 PolarHBondContact O-N 3.32Š| ||
| 428 | F | 34.9 | Very low | 34.4 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -92 | 123.7 | 171.8 | 45.4 | -90.1 | 0 | 0 | 0 | 110.1 | G426 | G426-F428 PolarHBondContact O-N 3.06Š| ||
| 429 | V | 32.3 | Very low | 34.5 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -86.6 | 110.4 | 169.7 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 430 | K | 28.8 | Very low | 34.7 | Very low | 172 Ų | 172 | 127 Ų | 127 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -113.3 | 110.2 | 172.7 | -166 | -174.6 | -179.5 | -180 | 0 | 109.5 | V432 | K430-V432 HydrophobicContact CD-CG2 3.82Å; K430-V432 HydrophobicContact CG-CG2 3.8Å | ||
| 431 | V | 33.1 | Very low | 34.9 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 125.9 | 167.9 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 432 | V | 34.7 | Very low | 35.4 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | -133.2 | 127.8 | 176.4 | -179 | 0 | 0 | 0 | 0 | 108.2 | K430 | K430-V432 HydrophobicContact CD-CG2 3.82Å; K430-V432 HydrophobicContact CG-CG2 3.8Å | ||
| 433 | G | 35.6 | Very low | 35.1 | Very low | 56 Ų | 56 | 132.5 Ų | 132.5 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | trans | -75.3 | 169.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q435 | G433-Q435 PolarHBondContact O-N 3.14Š| ||
| 434 | P | 43.5 | Very low | 34.6 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -79.4 | 116.8 | -167.1 | 31.1 | -33.4 | 0 | 0 | 0 | 111.7 | ||
| 435 | Q | 47.8 | Very low | 34.4 | Very low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 163.9 | 64.4 | 138.9 | 59.4 | -155.2 | -21.1 | 0 | 0 | 114.4 | G433 | G433-Q435 PolarHBondContact O-N 3.14Š| ||
| 436 | F | 34.3 | Very low | 34.2 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -149.8 | 126.9 | 155.3 | -74.8 | -68.9 | 0 | 0 | 0 | 110.1 | ||||
| 437 | Q | 33.9 | Very low | 34 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -94 | 108.1 | 175 | -175.4 | 173 | 1.1 | 0 | 0 | 109.4 | ||||
| 438 | L | 29 | Very low | 34.2 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | -97.3 | 109.3 | 175.3 | -172.9 | 70.2 | 0 | 0 | 0 | 109.8 | T440 | L438-T440 PolarHBondContact O-N 3.3Š| ||
| 439 | V | 31.5 | Very low | 33.8 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -80.7 | 109.1 | 168.2 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | L441 | V439-L441 HydrophobicContact CG1-CD1 4.06Š| ||
| 440 | T | 33.7 | Very low | 33.7 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | -107.2 | 111.5 | 173.1 | -55.4 | 0 | 0 | 0 | 0 | 109 | L438 | L438-T440 PolarHBondContact O-N 3.3Š| ||
| 441 | L | 33.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 139.4 | 166 | -76 | 86.2 | 0 | 0 | 0 | 109.4 | V439 L443 | V439-L441 HydrophobicContact CG1-CD1 4.06Å; L441-L443 PolarHBondContact O-N 3.49Å | ||
| 442 | P | 36.2 | Very low | 33.4 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 119 | 176.5 | 29 | -32.9 | 0 | 0 | 0 | 111 | A444 | P442-A444 PolarHBondContact O-N 3.41Š| ||
| 443 | L | 27.4 | Very low | 33.1 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -78.2 | 108.9 | 166.9 | -180 | 63.6 | 0 | 0 | 0 | 109.1 | L441 T445 | L441-L443 PolarHBondContact O-N 3.49Å; L443-T445 PolarHBondContact O-N 3.46Å | ||
| 444 | A | 31.3 | Very low | 32.7 | Very low | 88 Ų | 88 | 147.2 Ų | 147.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -73.4 | 115.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P442 | P442-A444 PolarHBondContact O-N 3.41Š| ||
| 445 | T | 30.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -101.2 | 108.4 | 165 | 32.3 | 0 | 0 | 0 | 0 | 109.6 | L443 | L443-T445 PolarHBondContact O-N 3.46Š| ||
| 446 | Q | 33.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -86.8 | 130.6 | 168.4 | -61.4 | -176.8 | 26.9 | 0 | 0 | 109.8 | ||||
| 447 | N | 30.3 | Very low | 30.4 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | -169 | 163.1 | 129.1 | -107 | 0.4 | 0 | 0 | 0 | 111.4 | |||||
| 448 | P | 43.1 | Very low | 30 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -112 | 157.3 | -125.3 | 39.9 | -37.4 | 0 | 0 | 0 | 115.2 | |||||
| 449 | A | 25.6 | Very low | 30 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -168.2 | 122.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 450 | V | 29.6 | Very low | 29.8 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -45.5 | 129.3 | 173.2 | 177.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 451 | Q | 27.9 | Very low | 29.4 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | -172.5 | 119 | 119.3 | -108.3 | -178.7 | -19.5 | 0 | 0 | 111.8 | |||||
| 452 | Q | 28.9 | Very low | 29 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -134.5 | 131.8 | 168.1 | -172.8 | 170.9 | 3.4 | 0 | 0 | 109.6 | ||||
| 453 | Q | 28.6 | Very low | 28.7 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -100 | 128.8 | -178.9 | -139.4 | 171.5 | -3.3 | 0 | 0 | 111.2 | ||||
| 454 | V | 27 | Very low | 28.6 | Very low | 112 Ų | 112 | 134 Ų | 134 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -44.5 | 142 | -176.9 | 178.9 | 0 | 0 | 0 | 0 | 117.2 | T456 | V454-T456 HydrophobicContact CG1-CG2 3.58Š| ||
| 455 | S | 24 | Very low | 28.4 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -173.2 | 84.2 | 131.5 | -75.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 456 | T | 28.2 | Very low | 28.3 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | 57.6 | 118.7 | 94.5 | 56.9 | 0 | 0 | 0 | 0 | 117.1 | V454 | V454-T456 HydrophobicContact CG1-CG2 3.58Š| |||
| 457 | V | 24.6 | Very low | 28.1 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | -145.6 | 149.6 | 111.2 | 170.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 458 | T | 26.4 | Very low | 27.9 | Very low | 116 Ų | 116 | 131 Ų | 131 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -72 | 168.3 | -174.7 | 45.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 459 | V | 27.2 | Very low | 27.2 | Very low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | -154.2 | 114 | 70.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 460 | V | 27.6 | Very low | 27.4 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | 62.7 | 104.2 | 105.7 | -171.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 461 | D | 25.2 | Very low | 27.3 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | 81.7 | 148 | 79.5 | -140.2 | -137.1 | 0 | 0 | 0 | 112.6 | |||||
| 462 | A | 26.6 | Very low | 27.3 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 55% | 0.554 | 79% | 0.794 | S | S | * | * | cis | -149.3 | 172.2 | 5.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 463 | T | 29.1 | Very low | 27.3 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | -165.9 | 128.4 | 52.1 | 41 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 464 | V | 25.4 | Very low | 27.3 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | 62.9 | 109.9 | 102.8 | -178.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 465 | T | 28.3 | Very low | 27.4 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | -157.9 | 135.3 | 117.9 | 30.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 466 | A | 27.1 | Very low | 27.8 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -147.4 | 135.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 467 | A | 29 | Very low | 27.9 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -178.7 | 116.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 468 | D | 27.7 | Very low | 28.1 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | 61.3 | 103.5 | 55.9 | -150 | -58.2 | 0 | 0 | 0 | 112.3 | |||||
| 469 | E | 26.9 | Very low | 28.3 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -160.5 | 119 | 134.2 | -109.7 | -166.5 | 135.6 | 0 | 0 | 111.8 | ||||
| 470 | L | 29.9 | Very low | 28.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | 36.9 | 156.9 | 129.3 | -80.5 | 160.2 | 0 | 0 | 0 | 124.8 | |||||
| 471 | Q | 28.8 | Very low | 28.7 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | trans | -112.9 | 121.2 | -170.9 | 166.7 | -169.5 | 11.7 | 0 | 0 | 110 | ||||
| 472 | E | 26.2 | Very low | 28.9 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | -149.3 | 136.3 | 155.2 | -90.7 | -163.9 | 114.7 | 0 | 0 | 110.2 | ||||
| 473 | V | 30 | Very low | 29.2 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | trans | -130.1 | 126.9 | 167.2 | 171.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 474 | S | 29.2 | Very low | 30.1 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -71.2 | 154.5 | -168.2 | -46.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 475 | Q | 28.6 | Very low | 30.3 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | -59.9 | 150.1 | 166.6 | -62.3 | 163.8 | -66.5 | 0 | 0 | 112.6 | ||||
| 476 | V | 31.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 89% | 0.885 | 85% | 0.845 | S | S | * | * | trans | -136.6 | 132 | 147.2 | 175.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 477 | D | 30.8 | Very low | 30.8 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | trans | -59 | 159.6 | -179.2 | -75.9 | -93.5 | 0 | 0 | 0 | 116.3 | ||||
| 478 | G | 29.6 | Very low | 31 | Very low | 80 Ų | 80 | 151.2 Ų | 151.2 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | 158 | 66.1 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 479 | E | 29.8 | Very low | 31.5 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 87% | 0.874 | 85% | 0.848 | S | S | * | * | trans | -106.1 | 152.6 | 167.5 | -73.4 | -172.7 | 115 | 0 | 0 | 112.6 | ||||
| 480 | E | 31.3 | Very low | 31.9 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | trans | 52.7 | 136.5 | 165.6 | -63.6 | -164.6 | 94.3 | 0 | 0 | 119.8 | ||||
| 481 | E | 32.1 | Very low | 32.6 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | cis | -143.1 | 162.5 | 40.5 | -72.8 | -172.7 | 107.3 | 0 | 0 | 113 | ||||
| 482 | G | 28.4 | Very low | 33.1 | Very low | 83 Ų | 83 | 155.3 Ų | 155.3 | 86% | 0.856 | 86% | 0.856 | S | S | * | * | trans | 156.4 | 52 | 165.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 483 | Q | 34.1 | Very low | 34.1 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 88% | 0.879 | 85% | 0.847 | S | S | * | * | trans | -82.4 | 174 | 162.9 | -107.9 | -173.3 | 9.9 | 0 | 0 | 111.4 | ||||
| 484 | P | 47.4 | Very low | 34.9 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 71% | 0.708 | 84% | 0.837 | S | S | * | * | cis | -131.8 | 175.8 | -12.6 | 34.7 | -16.2 | 0 | 0 | 0 | 114.6 | ||||
| 485 | G | 30.5 | Very low | 35.3 | Very low | 80 Ų | 80 | 160.4 Ų | 160.4 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | trans | -157.6 | 73.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 486 | Q | 32 | Very low | 35.7 | Very low | 191 Ų | 191 | 159 Ų | 159 | 89% | 0.893 | 86% | 0.856 | S | S | * | * | trans | -68.1 | 157.9 | 164 | -59.4 | 167.6 | -15.7 | 0 | 0 | 109.2 | ||||
| 487 | A | 32.8 | Very low | 35.9 | Very low | 95 Ų | 95 | 159.6 Ų | 159.6 | 79% | 0.785 | 86% | 0.855 | S | S | * | * | cis | -143.1 | -177.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 488 | M | 33.8 | Very low | 36.2 | Very low | 174 Ų | 174 | 159.4 Ų | 159.4 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | cis | -173.5 | 133 | 42.3 | -166.8 | 170.5 | 82.2 | 0 | 0 | 108.3 | ||||
| 489 | E | 38 | Very low | 36.5 | Very low | 179 Ų | 179 | 164.1 Ų | 164.1 | 84% | 0.836 | 86% | 0.855 | S | S | * | * | trans | -106.5 | 176.4 | 162.4 | -75 | -172.1 | 135.4 | 0 | 0 | 109.4 | ||||
| 490 | E | 35.5 | Very low | 37 | Very low | 173 Ų | 173 | 162.7 Ų | 162.7 | 81% | 0.808 | 85% | 0.854 | S | S | * | * | trans | 74.1 | 111.2 | 174.7 | -53.9 | 179.5 | 157.5 | 0 | 0 | 113.3 | ||||
| 491 | E | 44.1 | Very low | 37.3 | Very low | 188 Ų | 188 | 161.3 Ų | 161.3 | 88% | 0.879 | 85% | 0.854 | S | S | * | * | 49.2 | 109.1 | 67.3 | -69.7 | -164.3 | 124.4 | 0 | 0 | 113 | |||||
| 492 | E | 39.9 | Very low | 37.7 | Very low | 199 Ų | 199 | 158.7 Ų | 158.7 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | -163.3 | 157.9 | 111 | -119.9 | -174 | 145.6 | 0 | 0 | 113.6 | |||||
| 493 | E | 46.2 | Very low | 38.4 | Very low | 154 Ų | 154 | 164.5 Ų | 164.5 | 72% | 0.72 | 85% | 0.848 | S | S | * | * | trans | -107.6 | 118.7 | 178.9 | -177 | 178.4 | 133.1 | 0 | 0 | 109.2 | ||||
| 494 | Q | 46.8 | Very low | 38.8 | Very low | 146 Ų | 146 | 162.6 Ų | 162.6 | 68% | 0.682 | 85% | 0.846 | S | S | * | * | trans | 48.3 | 95.6 | 156.7 | -59.2 | 174 | 60.1 | 0 | 0 | 119.3 | ||||
| 495 | Q | 38.7 | Very low | 38 | Very low | 263 Ų | 263 | 167.5 Ų | 167.5 | 100% | 1.229 | 86% | 0.859 | S | S | * | * | 172.8 | 0 | 103.2 | -94.6 | 169.2 | 40.3 | 0 | 0 | 114.4 |
Retrieved 495 of 495 residues in 95.5 ms
(Link to these results)