| 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 | 40.9 | Very low | 35.4 | Very low | 248 Ų | 248 | 138.8 Ų | 138.8 | 100% | 1.222 | 83% | 0.834 | S | S | * | * | 0 | 117.7 | 0 | -90 | -178.8 | 166.2 | 0 | 0 | 107.9 | |||||
| 2 | A | 39.5 | Very low | 35 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | 48.6 | 119.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 3 | A | 32.7 | Very low | 34.5 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | cis | 68.9 | 131.5 | 22.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 4 | L | 41.4 | Very low | 34.2 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | 87.2 | 137.3 | 162.2 | -54.7 | 160.5 | 0 | 0 | 0 | 116.5 | ||||
| 5 | G | 35.2 | Very low | 33.9 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | cis | -160.7 | 150.4 | 4.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | E | 35.1 | Very low | 33.5 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | 63.6 | 145.1 | 85.8 | -69.7 | -156.9 | 149 | 0 | 0 | 114.5 | |||||
| 7 | V | 33.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -174.9 | 152.3 | -2.6 | 144.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 8 | G | 29.9 | Very low | 33.1 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 110.9 | 154.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 9 | S | 32 | Very low | 33 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | cis | -170.4 | 153.5 | -12.8 | -100.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | F | 33.4 | Very low | 33 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -17.8 | 143.2 | 157.1 | -68.7 | -102.1 | 0 | 0 | 0 | 118.6 | ||||
| 11 | L | 35.3 | Very low | 32.8 | Very low | 186 Ų | 186 | 130.6 Ų | 130.6 | 97% | 0.974 | 80% | 0.802 | S | S | * | * | trans | -137.3 | 141.2 | 134.9 | -83.4 | 177.1 | 0 | 0 | 0 | 111 | ||||
| 12 | H | 30.5 | Very low | 32.4 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | -128.1 | 151.2 | -173.7 | -155.1 | 100.4 | 0 | 0 | 0 | 107.5 | ||||
| 13 | G | 28.2 | Very low | 32.2 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | trans | 99.4 | 155.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 14 | I | 30.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | cis | -170.9 | 154.9 | -11.8 | 35.8 | 161.3 | 0 | 0 | 0 | 106.6 | ||||
| 15 | D | 29.3 | Very low | 31.6 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 58.2 | 125.6 | 150.2 | -57.8 | -26.3 | 0 | 0 | 0 | 123.9 | ||||
| 16 | G | 27.5 | Very low | 31.4 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | 129.2 | 106 | 111.3 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 17 | V | 30.8 | Very low | 31.3 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | trans | 91 | 128.6 | 133.3 | -168.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 18 | G | 28.6 | Very low | 31.2 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 133.2 | 85.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 19 | H | 31.8 | Very low | 31.3 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | 65 | 82.5 | 65.6 | -130.2 | 98.3 | 0 | 0 | 0 | 115.8 | |||||
| 20 | V | 33 | Very low | 31.3 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -157.8 | 119.3 | 145.2 | -169.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 21 | G | 28.1 | Very low | 31.2 | Very low | 54 Ų | 54 | 137.8 Ų | 137.8 | 56% | 0.557 | 80% | 0.804 | S | S | * | * | cis | 109.3 | 87.2 | 30.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 22 | S | 34.4 | Very low | 31.3 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -173.9 | 88.8 | 149.1 | -82.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 23 | H | 33.6 | Very low | 31.8 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -64.8 | 125.6 | 156.9 | -68.3 | -96.5 | 0 | 0 | 0 | 108.2 | ||||
| 24 | F | 30.9 | Very low | 32 | Very low | 207 Ų | 207 | 133.5 Ų | 133.5 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | trans | -99.3 | 112.6 | 154.7 | -104 | -89.5 | 0 | 0 | 0 | 107.9 | ||||
| 25 | L | 32.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -70.7 | 139.7 | -177.5 | -71.9 | 160.1 | 0 | 0 | 0 | 110.8 | ||||
| 26 | L | 30.9 | Very low | 32.3 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -60.4 | 136.3 | 155.5 | -97.1 | 133.3 | 0 | 0 | 0 | 109.8 | ||||
| 27 | T | 31.5 | Very low | 32.6 | Very low | 137 Ų | 137 | 138 Ų | 138 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -139 | 130.4 | 154.7 | -14 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 28 | S | 32 | Very low | 32.5 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -91.1 | 138.7 | 176.5 | 167.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 29 | L | 32.3 | Very low | 32.6 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -178.6 | 115.4 | 152 | -100.5 | 134.4 | 0 | 0 | 0 | 103.6 | ||||
| 30 | G | 31.4 | Very low | 32.7 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | 111.1 | 126.8 | 52.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 31 | E | 31.6 | Very low | 32.6 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | 95.4 | 102.7 | 167.6 | -55.2 | -171.8 | 152.1 | 0 | 0 | 118.7 | ||||
| 32 | S | 38.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -67.1 | 161.9 | 146.4 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 33 | P | 40.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | -134.7 | 162.4 | 114.4 | 25.7 | -8.4 | 0 | 0 | 0 | 114.7 | |||||
| 34 | A | 33 | Very low | 33.4 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -55.9 | 147.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 35 | V | 34.3 | Very low | 34 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | 34.3 | 115.7 | 123.6 | -166.8 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 36 | L | 31.7 | Very low | 34.8 | Very low | 174 Ų | 174 | 134 Ų | 134 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -139.1 | 107.9 | 148.2 | -127.1 | 141.8 | 0 | 0 | 0 | 109.5 | ||||
| 37 | L | 32.6 | Very low | 35.6 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -66.4 | 136 | 168.3 | -74.8 | 162.7 | 0 | 0 | 0 | 109.4 | ||||
| 38 | G | 28.8 | Very low | 36.1 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -156.3 | 100.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 39 | Q | 31.1 | Very low | 36.8 | Very low | 207 Ų | 207 | 129.3 Ų | 129.3 | 97% | 0.967 | 79% | 0.79 | S | S | * | * | trans | -19.3 | 131.8 | 158.6 | -60.3 | 152.9 | -9 | 0 | 0 | 112.6 | ||||
| 40 | G | 34 | Very low | 37.7 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 118.6 | 102.4 | 27.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 41 | E | 30.5 | Very low | 38.6 | Very low | 198 Ų | 198 | 129 Ų | 129 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -153.2 | 123.7 | 159.7 | -74.8 | -149.8 | 128 | 0 | 0 | 112 | ||||
| 42 | H | 32.7 | Very low | 39.8 | Very low | 171 Ų | 171 | 122.8 Ų | 122.8 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | 63.6 | 102.2 | 139.5 | -146.9 | -100.4 | 0 | 0 | 0 | 120.8 | V44 | H42-V44 PolarHBondContact O-N 3.47Š| ||
| 43 | L | 34 | Very low | 40.7 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -51.8 | 126.5 | 162.3 | -78.6 | 126.1 | 0 | 0 | 0 | 112.6 | ||||
| 44 | V | 46.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | trans | -127.2 | 98.5 | 148.1 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | H42 | H42-V44 PolarHBondContact O-N 3.47Š| ||
| 45 | P | 44.9 | Very low | 43.4 | Very low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | trans | -92.7 | 105.5 | 169.7 | 30.2 | -19.4 | 0 | 0 | 0 | 108.3 | ||||
| 46 | G | 48.2 | Very low | 45.1 | Very low | 68 Ų | 68 | 120.1 Ų | 120.1 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 160.1 | 82.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 47 | A | 47.2 | Very low | 46.9 | Very low | 83 Ų | 83 | 114.2 Ų | 114.2 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -179.1 | -16.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 48 | G | 43.6 | Very low | 48.8 | Very low | 61 Ų | 61 | 110.3 Ų | 110.3 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -86.9 | -18.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 49 | E | 46.5 | Very low | 50.9 | Low | 174 Ų | 174 | 111.8 Ų | 111.8 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -91.3 | -17.1 | -170.3 | -67.1 | -177.6 | 122.8 | 0 | 0 | 114 | S52 | E49-S52 PolarHBondContact O-OG 3.36Å |
| 50 | S | 50.4 | Low | 53 | Low | 93 Ų | 93 | 106.4 Ų | 106.4 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -81.6 | -41 | -177.2 | 162 | 0 | 0 | 0 | 0 | 112.9 | S54 | S50-S54 PolarHBondContact O-N 3.45Å |
| 51 | L | 50.6 | Low | 54.9 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 71% | 0.707 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.4 | -36.3 | -175.9 | -69.8 | 165.5 | 0 | 0 | 0 | 112.5 | A55 | L51-A55 PolarHBondContact O-N 3.28Å |
| 52 | S | 56.4 | Low | 57 | Low | 69 Ų | 69 | 101.6 Ų | 101.6 | 48% | 0.483 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.9 | -39.6 | 179.9 | 62 | 0 | 0 | 0 | 0 | 112.1 | E49 A55 T56 | E49-S52 PolarHBondContact O-OG 3.36Å; S52-A55 PolarHBondContact O-N 3.02Å; S52-T56 WeakPolarHBondContact O-CG2 3.46Å; S52-T56 PolarHBondContact O-N 2.86Å; S52-T56 PolarHBondContact O-OG1 3.46Å |
| 53 | R | 57.3 | Low | 59.1 | Low | 199 Ų | 199 | 99.5 Ų | 99.5 | 75% | 0.751 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.5 | -39.9 | 178.6 | -161.2 | 174.3 | -178.8 | -166.7 | -0.5 | 111.8 | T56 A57 | R53-T56 PolarHBondContact O-OG1 3.31Å; R53-A57 WeakPolarHBondContact O-CB 3.32Å; R53-A57 PolarHBondContact O-N 2.69Å |
| 54 | S | 63.7 | Low | 61.1 | Low | 65 Ų | 65 | 92.7 Ų | 92.7 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.2 | -51.4 | 174.4 | -165.7 | 0 | 0 | 0 | 0 | 111.5 | S50 T56 A57 D58 | S50-S54 PolarHBondContact O-N 3.45Å; S54-T56 VanDerWaalsContact C-N 3.29Å; S54-T56 PolarHBondContact O-N 3.25Å; S54-A57 WeakPolarHBondContact O-CB 3.43Å; S54-A57 PolarHBondContact O-N 3.33Å; S54-A57 VanDerWaalsContact O-N 3.08Å; S54-D58 WeakPolarHBondContact O-CB 3.33Å; S54-D58 PolarHBondContact O-N 3.19Å; S54-D58 VanDerWaalsContact O-OD2 3.09Å; S54-D58 PolarHBondContact OG-OD2 2.94Å |
| 55 | A | 67.4 | Low | 62.6 | Low | 50 Ų | 50 | 88.1 Ų | 88.1 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L51 S52 L59 | L51-A55 PolarHBondContact O-N 3.28Å; S52-A55 PolarHBondContact O-N 3.02Å; A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 VanDerWaalsContact O-CG 3.26Å; A55-L59 WeakPolarHBondContact O-CG 3.42Å; A55-L59 PolarHBondContact O-N 3.4Å |
| 56 | T | 70 | Confident | 64.3 | Low | 84 Ų | 84 | 88.8 Ų | 88.8 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 174.8 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | S52 R53 S54 L59 T60 | S52-T56 WeakPolarHBondContact O-CG2 3.46Å; S52-T56 PolarHBondContact O-N 2.86Å; S52-T56 PolarHBondContact O-OG1 3.46Å; R53-T56 PolarHBondContact O-OG1 3.31Å; S54-T56 VanDerWaalsContact C-N 3.29Å; S54-T56 PolarHBondContact O-N 3.25Å; T56-L59 PolarHBondContact O-N 3.05Å; T56-T60 WeakPolarHBondContact O-CG2 2.96Å; T56-T60 PolarHBondContact O-N 3.26Å; T56-T60 PolarHBondContact O-OG1 3.06Å |
| 57 | A | 69.4 | Low | 66.3 | Low | 50 Ų | 50 | 91.1 Ų | 91.1 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R53 S54 L59 T60 L61 | R53-A57 WeakPolarHBondContact O-CB 3.32Å; R53-A57 PolarHBondContact O-N 2.69Å; S54-A57 WeakPolarHBondContact O-CB 3.43Å; S54-A57 PolarHBondContact O-N 3.33Å; S54-A57 VanDerWaalsContact O-N 3.08Å; A57-L59 PolarHBondContact O-N 3.44Å; A57-T60 WeakPolarHBondContact CA-OG1 3.38Å; A57-T60 PolarHBondContact O-N 3.21Å; A57-T60 VanDerWaalsContact O-N 3.15Å; A57-T60 PolarHBondContact O-OG1 3.1Å; A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 PolarHBondContact O-N 2.99Å |
| 58 | D | 71.4 | Confident | 68.7 | Low | 80 Ų | 80 | 88.1 Ų | 88.1 | 43% | 0.428 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 176.8 | -66.1 | -32.4 | 0 | 0 | 0 | 111.4 | S54 T60 L61 L62 | S54-D58 WeakPolarHBondContact O-CB 3.33Å; S54-D58 PolarHBondContact O-N 3.19Å; S54-D58 VanDerWaalsContact O-OD2 3.09Å; S54-D58 PolarHBondContact OG-OD2 2.94Å; D58-T60 PolarHBondContact O-N 2.98Å; D58-L61 PolarHBondContact O-N 3.42Å; D58-L62 WeakPolarHBondContact O-CB 3.33Å; D58-L62 WeakPolarHBondContact O-CG 3.36Å; D58-L62 PolarHBondContact O-N 3.24Å |
| 59 | L | 73.9 | Confident | 71.2 | Confident | 100 Ų | 100 | 89.4 Ų | 89.4 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 174.7 | -72.9 | 176.4 | 0 | 0 | 0 | 112.9 | A55 T56 A57 K63 | A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 VanDerWaalsContact O-CG 3.26Å; A55-L59 WeakPolarHBondContact O-CG 3.42Å; A55-L59 PolarHBondContact O-N 3.4Å; T56-L59 PolarHBondContact O-N 3.05Å; A57-L59 PolarHBondContact O-N 3.44Å; L59-K63 WeakPolarHBondContact O-CB 3.49Å; L59-K63 VanDerWaalsContact O-CG 3.23Å; L59-K63 WeakPolarHBondContact O-CG 3.26Å; L59-K63 PolarHBondContact O-N 2.85Å |
| 60 | T | 74.8 | Confident | 73.7 | Confident | 95 Ų | 95 | 81.1 Ų | 81.1 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68.2 | -40.2 | 175 | 54.6 | 0 | 0 | 0 | 0 | 112 | T56 A57 D58 K63 G64 | T56-T60 WeakPolarHBondContact O-CG2 2.96Å; T56-T60 PolarHBondContact O-N 3.26Å; T56-T60 PolarHBondContact O-OG1 3.06Å; A57-T60 WeakPolarHBondContact CA-OG1 3.38Å; A57-T60 PolarHBondContact O-N 3.21Å; A57-T60 VanDerWaalsContact O-N 3.15Å; A57-T60 PolarHBondContact O-OG1 3.1Å; D58-T60 PolarHBondContact O-N 2.98Å; T60-K63 PolarHBondContact O-N 3.25Å; T60-G64 PolarHBondContact O-N 2.98Å |
| 61 | L | 75.1 | Confident | 76 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 175.7 | 179.1 | 61.9 | 0 | 0 | 0 | 111.1 | A57 D58 K63 G64 I65 I209 | A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 PolarHBondContact O-N 2.99Å; D58-L61 PolarHBondContact O-N 3.42Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 2.89Å; L61-G64 PolarHBondContact O-N 3.05Å; L61-G64 VanDerWaalsContact O-N 3.08Å; L61-I65 HydrophobicContact CG-CD1 4.18Å; L61-I65 VanDerWaalsContact O-CG1 3.32Å; L61-I65 WeakPolarHBondContact O-CG1 3.39Å; L61-I65 PolarHBondContact O-N 3.08Å; L61-I209 HydrophobicContact CD1-CD1 4.43Å; L61-I209 HydrophobicContact CD1-CG1 4.39Å; L61-I209 HydrophobicContact CD2-CG1 3.86Å; L61-I209 HydrophobicContact CG-CG1 4.18Å |
| 62 | L | 74.6 | Confident | 78.3 | Confident | 88 Ų | 88 | 73.4 Ų | 73.4 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 175.6 | -71.7 | 170.4 | 0 | 0 | 0 | 111.9 | D58 G64 I65 L66 | D58-L62 WeakPolarHBondContact O-CB 3.33Å; D58-L62 WeakPolarHBondContact O-CG 3.36Å; D58-L62 PolarHBondContact O-N 3.24Å; L62-G64 VanDerWaalsContact C-N 3.33Å; L62-G64 PolarHBondContact O-N 3Å; L62-I65 HydrophobicContact CD2-CD1 4.44Å; L62-I65 PolarHBondContact O-N 2.99Å; L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-L66 VanDerWaalsContact O-N 3.09Å |
| 63 | K | 76.8 | Confident | 80.3 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 174.4 | -77.3 | 172.3 | -178.7 | 178 | 0 | 112.5 | L59 T60 L61 R67 | L59-K63 WeakPolarHBondContact O-CB 3.49Å; L59-K63 VanDerWaalsContact O-CG 3.23Å; L59-K63 WeakPolarHBondContact O-CG 3.26Å; L59-K63 PolarHBondContact O-N 2.85Å; T60-K63 PolarHBondContact O-N 3.25Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 2.89Å; K63-R67 WeakPolarHBondContact O-CD 3.38Å; K63-R67 VanDerWaalsContact O-CG 3.31Å; K63-R67 WeakPolarHBondContact O-CG 3.5Å |
| 64 | G | 74.9 | Confident | 82.2 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T60 L61 L62 L66 R67 R68 E101 | T60-G64 PolarHBondContact O-N 2.98Å; L61-G64 PolarHBondContact O-N 3.05Å; L61-G64 VanDerWaalsContact O-N 3.08Å; L62-G64 VanDerWaalsContact C-N 3.33Å; L62-G64 PolarHBondContact O-N 3Å; G64-L66 PolarHBondContact O-N 2.91Å; G64-R67 CarbonylContact O-C 3.51Å; G64-R67 WeakPolarHBondContact O-CA 3.44Å; G64-R67 WeakPolarHBondContact O-CB 3.18Å; G64-R67 PolarHBondContact O-N 3.4Å; G64-R68 PolarHBondContact O-N 2.85Å; G64-E101 WeakPolarHBondContact CA-OE1 3.49Å |
| 65 | I | 76.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 178.6 | -67.2 | 161.7 | 0 | 0 | 0 | 112.2 | L61 L62 R67 R68 Y206 I209 | L61-I65 HydrophobicContact CG-CD1 4.18Å; L61-I65 VanDerWaalsContact O-CG1 3.32Å; L61-I65 WeakPolarHBondContact O-CG1 3.39Å; L61-I65 PolarHBondContact O-N 3.08Å; L62-I65 HydrophobicContact CD2-CD1 4.44Å; L62-I65 PolarHBondContact O-N 2.99Å; I65-R67 PolarHBondContact O-N 3.47Å; I65-R68 WeakPolarHBondContact O-CB 3.35Å; I65-R68 PolarHBondContact O-N 3.45Å; I65-Y206 HydrophobicContact CG2-CD1 4.33Å; I65-Y206 HydrophobicContact CG2-CE1 3.67Å; I65-I209 HydrophobicContact CD1-CB 4.16Å; I65-I209 HydrophobicContact CD1-CD1 3.3Å; I65-I209 HydrophobicContact CD1-CG1 3.62Å; I65-I209 HydrophobicContact CD1-CG2 3.67Å; I65-I209 HydrophobicContact CG1-CD1 3.82Å |
| 66 | L | 82.7 | Confident | 85.4 | Confident | 129 Ų | 129 | 63 Ų | 63 | 68% | 0.675 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -14.6 | 178.3 | -67.6 | 173.7 | 0 | 0 | 0 | 112.9 | L62 G64 R69 | L62-L66 WeakPolarHBondContact O-CG 3.37Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-L66 VanDerWaalsContact O-N 3.09Å; G64-L66 PolarHBondContact O-N 2.91Å; L66-R69 PolarHBondContact O-NH1 2.85Å; L66-R69 PolarHBondContact O-NH2 3.34Å |
| 67 | R | 89.7 | Confident | 86.8 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 45% | 0.445 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 7.6 | 177.8 | -63.7 | 173.9 | 177.4 | -173.3 | -3.7 | 113.3 | K63 G64 I65 F102 | K63-R67 WeakPolarHBondContact O-CD 3.38Å; K63-R67 VanDerWaalsContact O-CG 3.31Å; K63-R67 WeakPolarHBondContact O-CG 3.5Å; G64-R67 CarbonylContact O-C 3.51Å; G64-R67 WeakPolarHBondContact O-CA 3.44Å; G64-R67 WeakPolarHBondContact O-CB 3.18Å; G64-R67 PolarHBondContact O-N 3.4Å; I65-R67 PolarHBondContact O-N 3.47Å; R67-F102 HydrophobicContact CB-CB 4.48Å; R67-F102 WeakPolarHBondContact CB-O 3.33Å; R67-F102 WeakPolarHBondContact CD-O 3.46Å; R67-F102 PolarHBondContact O-N 2.87Å |
| 68 | R | 96.1 | Very high | 88.2 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 128.5 | 172 | -69 | 176.9 | 179.9 | -174.6 | -2.3 | 110.7 | G64 I65 I99 L100 V115 V197 L205 Y206 | G64-R68 PolarHBondContact O-N 2.85Å; I65-R68 WeakPolarHBondContact O-CB 3.35Å; I65-R68 PolarHBondContact O-N 3.45Å; R68-I99 HydrophobicContact CB-CG2 4.43Å; R68-L100 CarbonylContact C-O 3.6Å; R68-L100 VanDerWaalsContact CA-O 3.24Å; R68-L100 WeakPolarHBondContact CA-O 3.23Å; R68-V115 HydrophobicContact CG-CG2 4.04Å; R68-V197 HydrophobicContact CB-CG2 4.3Å; R68-L205 PolarHBondContact NH1-O 3.45Å; R68-L205 PolarHBondContact NH2-O 3.12Å; R68-Y206 VanDerWaalsContact CD-OH 3.25Å; R68-Y206 WeakPolarHBondContact CD-OH 3.4Å; R68-Y206 VanDerWaalsContact NH1-CZ 3.3Å |
| 69 | R | 97.8 | Very high | 89.5 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 161.1 | -178.4 | -63 | -64.2 | -179.8 | -82.1 | -2.9 | 109.4 | L66 L100 F102 P194 R195 | L66-R69 PolarHBondContact O-NH1 2.85Å; L66-R69 PolarHBondContact O-NH2 3.34Å; R69-L100 PolarHBondContact N-O 2.69Å; R69-L100 PolarHBondContact O-N 3.5Å; R69-L100 VanDerWaalsContact O-O 3.13Å; R69-F102 HydrophobicContact CB-CD2 4.07Å; R69-F102 HydrophobicContact CB-CE2 3.93Å; R69-F102 HydrophobicContact CG-CD2 4.27Å; R69-F102 HydrophobicContact CG-CE2 4.47Å; R69-P194 HydrophobicContact CG-CB 4.38Å; R69-R195 CarbonylContact C-O 3.54Å; R69-R195 VanDerWaalsContact CA-O 3.28Å; R69-R195 WeakPolarHBondContact CA-O 3.23Å; R69-R195 WeakPolarHBondContact CD-O 3.24Å |
| 70 | Q | 98.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144.2 | 159.3 | -44.9 | 173.6 | 63.4 | 0 | 0 | 108.1 | H78 H94 I99 R195 P196 V197 | Q70-H78 PolarHBondContact OE1-CD2 3.13Å; Q70-H78 PolarHBondContact OE1-NE2 2.99Å; Q70-H94 PolarHBondContact NE2-CE1 2.68Å; Q70-H94 PolarHBondContact NE2-ND1 3.15Å; Q70-H94 PolarHBondContact NE2-NE2 3.32Å; Q70-I99 HydrophobicContact CG-CD1 3.88Å; Q70-R195 HydrophobicContact CB-CB 4.36Å; Q70-R195 PolarHBondContact N-O 2.91Å; Q70-R195 PolarHBondContact O-N 2.9Å; Q70-P196 PolarHBondContact NE2-O 3.01Å; Q70-P196 VanDerWaalsContact NE2-O 3.12Å; Q70-V197 HydrophobicContact CG-CG2 3.94Å |
| 71 | L | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 93.8 | -177.4 | -160.3 | 59.6 | 0 | 0 | 0 | 111 | C73 H78 L79 L100 F102 I112 Y153 F192 P194 | L71-C73 PolarHBondContact O-N 3.46Å; L71-H78 WeakPolarHBondContact O-CA 3.34Å; L71-L79 HydrophobicContact CB-CB 4.34Å; L71-L79 PolarHBondContact O-N 2.85Å; L71-L100 HydrophobicContact CB-CD1 3.76Å; L71-F102 HydrophobicContact CD1-CZ 3.79Å; L71-F102 HydrophobicContact CD2-CZ 4.34Å; L71-I112 HydrophobicContact CD2-CD1 4.02Å; L71-Y153 HydrophobicContact CD1-CE2 3.74Å; L71-Y153 HydrophobicContact CD2-CD2 4.19Å; L71-Y153 HydrophobicContact CD2-CE2 3.91Å; L71-Y153 HydrophobicContact CG-CE2 4.29Å; L71-F192 HydrophobicContact CD1-CB 3.78Å; L71-F192 HydrophobicContact CD2-CB 4.33Å; L71-F192 HydrophobicContact CD2-CD1 4.09Å; L71-F192 HydrophobicContact CD2-CG 4.27Å; L71-F192 HydrophobicContact CG-CB 3.78Å; L71-F192 HydrophobicContact CG-CD1 3.7Å; L71-F192 HydrophobicContact CG-CG 4Å; L71-P194 HydrophobicContact CD1-CG 4.21Å |
| 72 | Y | 98.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 26% | 0.255 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.6 | -174.7 | 176 | -101.1 | 0 | 0 | 0 | 111.7 | G76 F77 H78 F192 L193 | Y72-G76 WeakPolarHBondContact OH-CA 3.22Å; Y72-F77 CarbonylContact C-O 3.55Å; Y72-H78 AromaticContact CD2-CE1 3.91Å; Y72-F192 CarbonylContact O-C 3.57Å; Y72-F192 VanDerWaalsContact O-CA 3.32Å; Y72-F192 WeakPolarHBondContact O-CA 3.47Å; Y72-L193 HydrophobicContact CD1-CB 4.41Å; Y72-L193 PolarHBondContact N-O 3.08Å; Y72-L193 PolarHBondContact O-N 2.84Å |
| 73 | C | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 142.5 | 172.1 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | L71 T75 G76 F77 L171 F189 H191 F192 | L71-C73 PolarHBondContact O-N 3.46Å; C73-T75 PolarHBondContact O-N 3.37Å; C73-T75 PolarHBondContact SG-OG1 3.39Å; C73-G76 PolarHBondContact O-N 3.02Å; C73-F77 WeakPolarHBondContact CB-O 3.36Å; C73-F77 PolarHBondContact N-O 2.99Å; C73-L171 HydrophobicContact CB-CB 4.24Å; C73-L171 HydrophobicContact CB-CD1 4.01Å; C73-L171 HydrophobicContact CB-CG 4.46Å; C73-F189 PolarHBondContact SG-O 3.42Å; C73-H191 CarbonylContact C-O 3.54Å; C73-H191 WeakPolarHBondContact CA-O 3.48Å; C73-F192 HydrophobicContact CB-CD1 3.69Å; C73-F192 HydrophobicContact CB-CE1 3.44Å; C73-F192 VanDerWaalsContact CB-CE1 3.44Å; C73-F192 HydrophobicContact CB-CG 4.5Å; C73-F192 HydrophobicContact CB-CZ 4.02Å |
| 74 | R | 97.9 | Very high | 95.1 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 48% | 0.475 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -15.3 | 175.5 | -167.9 | 68.1 | -179.9 | 177.2 | -2.3 | 113.4 | G76 Y150 K188 H191 | R74-G76 PolarHBondContact O-N 2.72Å; R74-Y150 HydrophobicContact CB-CD1 4.39Å; R74-Y150 HydrophobicContact CB-CE1 3.88Å; R74-Y150 WeakPolarHBondContact CD-OH 3.3Å; R74-Y150 HydrophobicContact CG-CE1 4.4Å; R74-Y150 VanDerWaalsContact NH1-CE2 3.28Å; R74-Y150 PolarHBondContact NH1-OH 2.81Å; R74-K188 HydrophobicContact CB-CB 4.37Å; R74-K188 WeakPolarHBondContact CB-O 3.27Å; R74-K188 HydrophobicContact CG-CB 4.17Å; R74-K188 HydrophobicContact CG-CG 4.41Å; R74-H191 HydrophobicContact CB-CB 3.93Å; R74-H191 PolarHBondContact N-O 2.76Å |
| 75 | T | 98.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 40 Ų | 40 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -7.7 | 172.1 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | C73 L171 N172 K173 F189 | C73-T75 PolarHBondContact O-N 3.37Å; C73-T75 PolarHBondContact SG-OG1 3.39Å; T75-L171 WeakPolarHBondContact CG2-O 3.34Å; T75-L171 PolarHBondContact OG1-O 3.5Å; T75-N172 PolarHBondContact OG1-O 2.78Å; T75-K173 HydrophobicContact CG2-CG 4.33Å; T75-F189 HydrophobicContact CG2-CB 3.82Å |
| 76 | G | 98.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | 22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y72 C73 R74 R91 | Y72-G76 WeakPolarHBondContact OH-CA 3.22Å; C73-G76 PolarHBondContact O-N 3.02Å; R74-G76 PolarHBondContact O-N 2.72Å; G76-R91 PolarHBondContact O-NH1 3.39Å |
| 77 | F | 98.9 | Very high | 98 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.1 | -176.1 | -61.2 | -97 | 0 | 0 | 0 | 111.2 | Y72 C73 T90 R91 L171 K173 D174 | Y72-F77 CarbonylContact C-O 3.55Å; C73-F77 WeakPolarHBondContact CB-O 3.36Å; C73-F77 PolarHBondContact N-O 2.99Å; F77-T90 CarbonylContact C-O 3.59Å; F77-T90 VanDerWaalsContact CA-O 3.23Å; F77-T90 WeakPolarHBondContact CA-O 3.35Å; F77-R91 HydrophobicContact CD1-CG 3.82Å; F77-R91 HydrophobicContact CE1-CG 3.69Å; F77-R91 HydrophobicContact CZ-CG 4.32Å; F77-L171 HydrophobicContact CB-CD1 4.07Å; F77-K173 VanDerWaalsContact CE2-O 3.22Å; F77-K173 WeakPolarHBondContact CE2-O 3.41Å; F77-K173 WeakPolarHBondContact CZ-O 3.37Å; F77-D174 VanDerWaalsContact CZ-C 3.48Å |
| 78 | H | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.3 | 167 | -57.2 | 82.8 | 0 | 0 | 0 | 109.8 | Q70 L71 Y72 G89 T90 D93 R195 | Q70-H78 PolarHBondContact OE1-CD2 3.13Å; Q70-H78 PolarHBondContact OE1-NE2 2.99Å; L71-H78 WeakPolarHBondContact O-CA 3.34Å; Y72-H78 AromaticContact CD2-CE1 3.91Å; H78-G89 CarbonylContact O-C 3.53Å; H78-G89 VanDerWaalsContact O-CA 3.27Å; H78-G89 WeakPolarHBondContact O-CA 3.45Å; H78-T90 HydrophobicContact CB-CG2 4.25Å; H78-T90 PolarHBondContact N-O 3.35Å; H78-T90 PolarHBondContact O-N 3.34Å; H78-D93 IonicContact CE1-OD1 3.61Å; H78-D93 IonicContact NE2-OD1 3.06Å; H78-D93 PolarHBondContact NE2-OD1 2.49Å; H78-R195 PolarHBondContact CE1-NH1 3.27Å; H78-R195 PolarHBondContact NE2-NH1 2.81Å |
| 79 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 132.4 | 175.9 | -174.4 | 139.9 | 0 | 0 | 0 | 110.6 | L71 I81 V87 Q88 G98 L100 L121 V169 L171 F192 | L71-L79 HydrophobicContact CB-CB 4.34Å; L71-L79 PolarHBondContact O-N 2.85Å; L79-I81 HydrophobicContact CD2-CD1 4.44Å; L79-I81 HydrophobicContact CD2-CG1 3.93Å; L79-V87 HydrophobicContact CD1-CG1 4.04Å; L79-V87 HydrophobicContact CD2-CG1 4.33Å; L79-V87 HydrophobicContact CG-CG1 4.06Å; L79-Q88 CarbonylContact C-O 3.45Å; L79-Q88 WeakPolarHBondContact CA-O 3.45Å; L79-G98 WeakPolarHBondContact O-CA 3.23Å; L79-L100 HydrophobicContact CD2-CD1 3.89Å; L79-L121 HydrophobicContact CD1-CD2 4.38Å; L79-L121 HydrophobicContact CD2-CD2 4.43Å; L79-V169 HydrophobicContact CD1-CG1 3.89Å; L79-L171 HydrophobicContact CB-CD1 4.22Å; L79-F192 HydrophobicContact CB-CE1 4.39Å; L79-F192 HydrophobicContact CD1-CE1 4.3Å |
| 80 | E | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 145.3 | 174.9 | -61.7 | -170.3 | 118.4 | 0 | 0 | 111 | L82 V87 Q88 T90 S95 F97 | E80-L82 HydrophobicContact CB-CD2 4.31Å; E80-V87 WeakPolarHBondContact O-CA 3.38Å; E80-Q88 HydrophobicContact CB-CG 4.05Å; E80-Q88 PolarHBondContact N-O 2.86Å; E80-Q88 PolarHBondContact O-N 2.88Å; E80-Q88 VanDerWaalsContact O-N 3.13Å; E80-Q88 PolarHBondContact OE2-NE2 2.84Å; E80-T90 HydrophobicContact CG-CG2 3.58Å; E80-T90 WeakPolarHBondContact OE2-CB 3.31Å; E80-S95 WeakPolarHBondContact OE1-CB 3.3Å; E80-S95 PolarHBondContact OE1-OG 3.4Å; E80-F97 WeakPolarHBondContact CA-O 3.49Å; E80-F97 HydrophobicContact CB-CB 4.06Å; E80-F97 HydrophobicContact CG-CB 4.34Å |
| 81 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 103.8 | 170.6 | -51.2 | 173.2 | 0 | 0 | 0 | 107.4 | L79 F97 L100 S117 L119 L121 | L79-I81 HydrophobicContact CD2-CD1 4.44Å; L79-I81 HydrophobicContact CD2-CG1 3.93Å; I81-F97 PolarHBondContact N-O 3.39Å; I81-L100 HydrophobicContact CD1-CD2 3.99Å; I81-L100 HydrophobicContact CG1-CD2 4.18Å; I81-S117 VanDerWaalsContact O-CB 3.26Å; I81-S117 WeakPolarHBondContact O-CB 3.36Å; I81-S117 PolarHBondContact O-OG 3.17Å; I81-L119 HydrophobicContact CG2-CB 3.87Å; I81-L119 HydrophobicContact CG2-CD1 4.4Å; I81-L121 HydrophobicContact CD1-CB 3.86Å |
| 82 | L | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 18% | 0.183 | 24% | 0.244 | C | C | . | . | trans | -78 | 157.4 | -175.9 | -56.8 | -173.5 | 0 | 0 | 0 | 111.6 | E80 G84 G85 T86 Q88 F97 L119 | E80-L82 HydrophobicContact CB-CD2 4.31Å; L82-G84 PolarHBondContact O-N 3.01Å; L82-G84 VanDerWaalsContact O-N 3.14Å; L82-G85 PolarHBondContact O-N 2.94Å; L82-T86 WeakPolarHBondContact CB-O 3.43Å; L82-T86 PolarHBondContact N-O 3.25Å; L82-Q88 HydrophobicContact CD1-CG 4.4Å; L82-Q88 HydrophobicContact CG-CG 4.43Å; L82-F97 HydrophobicContact CD2-CB 3.86Å; L82-F97 HydrophobicContact CD2-CD2 3.56Å; L82-F97 HydrophobicContact CD2-CE2 4.24Å; L82-F97 HydrophobicContact CD2-CG 3.74Å; L82-L119 WeakPolarHBondContact O-CD1 3.33Å | ||
| 83 | P | 98.4 | Very high | 98.7 | Very high | 81 Ų | 81 | 44.3 Ų | 44.3 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.7 | 178.7 | -26.3 | 35.8 | 0 | 0 | 0 | 114.4 | G85 F97 | P83-G85 PolarHBondContact O-N 2.89Å; P83-F97 VanDerWaalsContact CD-CE1 3.46Å; P83-F97 HydrophobicContact CG-CD1 4.26Å; P83-F97 HydrophobicContact CG-CE1 3.56Å; P83-F97 HydrophobicContact CG-CZ 4.16Å |
| 84 | G | 98.1 | Very high | 98.6 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 75% | 0.753 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 4.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L82 T86 | L82-G84 PolarHBondContact O-N 3.01Å; L82-G84 VanDerWaalsContact O-N 3.14Å; G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.02Å |
| 85 | G | 98.6 | Very high | 98.7 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 81.1 | -1.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L82 P83 Y130 G131 | L82-G85 PolarHBondContact O-N 2.94Å; P83-G85 PolarHBondContact O-N 2.89Å; G85-Y130 CarbonylContact O-C 3.52Å; G85-Y130 WeakPolarHBondContact O-CA 3.25Å; G85-G131 PolarHBondContact O-N 2.87Å |
| 86 | T | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 44 Ų | 44 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -71.6 | 134.5 | 173.6 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | L82 G84 | L82-T86 WeakPolarHBondContact CB-O 3.43Å; L82-T86 PolarHBondContact N-O 3.25Å; G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.02Å |
| 87 | V | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.7 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | L79 E80 L121 L129 A177 | L79-V87 HydrophobicContact CD1-CG1 4.04Å; L79-V87 HydrophobicContact CD2-CG1 4.33Å; L79-V87 HydrophobicContact CG-CG1 4.06Å; E80-V87 WeakPolarHBondContact O-CA 3.38Å; V87-L121 HydrophobicContact CG1-CD1 4.04Å; V87-L121 HydrophobicContact CG2-CD1 3.73Å; V87-L129 HydrophobicContact CB-CB 3.97Å; V87-L129 HydrophobicContact CG1-CB 4.05Å; V87-L129 HydrophobicContact CG1-CD1 4.19Å; V87-L129 HydrophobicContact CG2-CB 4.2Å; V87-A177 WeakPolarHBondContact O-CB 3.41Å |
| 88 | Q | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | -177.4 | -179.5 | 68.3 | 177.6 | 11.8 | 0 | 0 | 111.6 | L79 E80 L82 | L79-Q88 CarbonylContact C-O 3.45Å; L79-Q88 WeakPolarHBondContact CA-O 3.45Å; E80-Q88 HydrophobicContact CB-CG 4.05Å; E80-Q88 PolarHBondContact N-O 2.86Å; E80-Q88 PolarHBondContact O-N 2.88Å; E80-Q88 VanDerWaalsContact O-N 3.13Å; E80-Q88 PolarHBondContact OE2-NE2 2.84Å; L82-Q88 HydrophobicContact CD1-CG 4.4Å; L82-Q88 HydrophobicContact CG-CG 4.43Å |
| 89 | G | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | H78 G175 | H78-G89 CarbonylContact O-C 3.53Å; H78-G89 VanDerWaalsContact O-CA 3.27Å; H78-G89 WeakPolarHBondContact O-CA 3.45Å; G89-G175 VanDerWaalsContact CA-O 3.24Å; G89-G175 WeakPolarHBondContact CA-O 3.4Å; G89-G175 PolarHBondContact N-O 2.85Å |
| 90 | T | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.4 | 173 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | F77 H78 E80 K92 | F77-T90 CarbonylContact C-O 3.59Å; F77-T90 VanDerWaalsContact CA-O 3.23Å; F77-T90 WeakPolarHBondContact CA-O 3.35Å; H78-T90 HydrophobicContact CB-CG2 4.25Å; H78-T90 PolarHBondContact N-O 3.35Å; H78-T90 PolarHBondContact O-N 3.34Å; E80-T90 HydrophobicContact CG-CG2 3.58Å; E80-T90 WeakPolarHBondContact OE2-CB 3.31Å; T90-K92 VanDerWaalsContact C-N 3.31Å; T90-K92 HydrophobicContact CG2-CB 4.38Å; T90-K92 WeakPolarHBondContact OG1-CB 3.46Å; T90-K92 PolarHBondContact OG1-N 2.79Å; T90-K92 VanDerWaalsContact OG1-N 3.16Å |
| 91 | R | 98.7 | Very high | 98.5 | Very high | 162 Ų | 162 | 46.6 Ų | 46.6 | 61% | 0.611 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -84.3 | -11.1 | 170 | -61.5 | -172.1 | 177.6 | -79.5 | 2.4 | 112.6 | G76 F77 D93 | G76-R91 PolarHBondContact O-NH1 3.39Å; F77-R91 HydrophobicContact CD1-CG 3.82Å; F77-R91 HydrophobicContact CE1-CG 3.69Å; F77-R91 HydrophobicContact CZ-CG 4.32Å; R91-D93 PolarHBondContact O-N 3.05Å |
| 92 | K | 98.6 | Very high | 98.4 | Very high | 133 Ų | 133 | 47.7 Ų | 47.7 | 58% | 0.578 | 25% | 0.254 | S | S | * | . | trans | -72.2 | 110.6 | -177 | -177.1 | -179.4 | 176.6 | -176.9 | 0 | 109.7 | T90 S95 | T90-K92 VanDerWaalsContact C-N 3.31Å; T90-K92 HydrophobicContact CG2-CB 4.38Å; T90-K92 WeakPolarHBondContact OG1-CB 3.46Å; T90-K92 PolarHBondContact OG1-N 2.79Å; T90-K92 VanDerWaalsContact OG1-N 3.16Å; K92-S95 PolarHBondContact O-N 2.82Å | ||
| 93 | D | 98.4 | Very high | 98.3 | Very high | 39 Ų | 39 | 48 Ų | 48 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 135.8 | 170.2 | -169.2 | 65.8 | 0 | 0 | 0 | 110.5 | H78 R91 S95 R195 R201 | H78-D93 IonicContact CE1-OD1 3.61Å; H78-D93 IonicContact NE2-OD1 3.06Å; H78-D93 PolarHBondContact NE2-OD1 2.49Å; R91-D93 PolarHBondContact O-N 3.05Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.03Å; D93-R195 IonicContact OD1-CZ 3.2Å; D93-R195 IonicContact OD1-NH1 2.73Å; D93-R195 PolarHBondContact OD1-NH1 3.34Å; D93-R195 IonicContact OD1-NH2 2.97Å; D93-R195 PolarHBondContact OD1-NH2 2.88Å; D93-R195 IonicContact OD2-NH2 3.96Å; D93-R201 PolarHBondContact O-NH2 3.19Å; D93-R201 VanDerWaalsContact O-NH2 3.17Å; D93-R201 IonicContact OD2-CZ 3.18Å; D93-R201 VanDerWaalsContact OD2-CZ 3.26Å; D93-R201 IonicContact OD2-NH1 2.74Å; D93-R201 PolarHBondContact OD2-NH1 2.88Å; D93-R201 IonicContact OD2-NH2 2.78Å; D93-R201 PolarHBondContact OD2-NH2 2.5Å; D93-R201 VanDerWaalsContact OD2-NH2 3.12Å |
| 94 | H | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 41.2 | -171.8 | -63.3 | 74.1 | 0 | 0 | 0 | 112.7 | Q70 D198 R201 V202 | Q70-H94 PolarHBondContact NE2-CE1 2.68Å; Q70-H94 PolarHBondContact NE2-ND1 3.15Å; Q70-H94 PolarHBondContact NE2-NE2 3.32Å; H94-D198 PolarHBondContact NE2-N 3.46Å; H94-R201 HydrophobicContact CB-CB 4.09Å; H94-R201 PolarHBondContact CE1-NH1 3.17Å; H94-R201 PolarHBondContact ND1-NH1 3.11Å; H94-R201 VanDerWaalsContact ND1-NH1 3.12Å; H94-V202 HydrophobicContact CB-CG1 4.13Å |
| 95 | S | 98.4 | Very high | 98 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | trans | -63.4 | 140 | 167.5 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | E80 K92 D93 F97 G98 I99 | E80-S95 WeakPolarHBondContact OE1-CB 3.3Å; E80-S95 PolarHBondContact OE1-OG 3.4Å; K92-S95 PolarHBondContact O-N 2.82Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.03Å; S95-F97 VanDerWaalsContact C-N 3.27Å; S95-F97 PolarHBondContact O-N 2.8Å; S95-G98 WeakPolarHBondContact O-CA 3.27Å; S95-G98 PolarHBondContact O-N 3.06Å; S95-I99 PolarHBondContact O-N 2.74Å | ||
| 96 | R | 97.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 45% | 0.445 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -51.9 | -44 | -178.6 | -178.1 | 176.4 | 174.9 | -171.4 | -7.2 | 112.5 | D116 L205 | R96-D116 HydrophobicContact CG-CB 4.16Å; R96-D116 IonicContact CZ-OD1 2.68Å; R96-D116 IonicContact CZ-OD2 3.4Å; R96-D116 IonicContact NE-OD1 3.12Å; R96-D116 PolarHBondContact NE-OD1 3.03Å; R96-D116 IonicContact NE-OD2 3.3Å; R96-D116 PolarHBondContact NE-OD2 2.81Å; R96-D116 IonicContact NH2-OD1 3.26Å; R96-D116 PolarHBondContact NH2-OD1 3.31Å; R96-D116 IonicContact NH2-OD2 3.3Å; R96-D116 PolarHBondContact NH2-OD2 2.97Å; R96-L205 HydrophobicContact CG-CD2 4.42Å |
| 97 | F | 98.6 | Very high | 97.8 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 23% | 0.228 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -87.8 | -4.2 | -179.9 | -52.2 | -65.8 | 0 | 0 | 0 | 113.9 | E80 I81 L82 P83 S95 D116 | E80-F97 WeakPolarHBondContact CA-O 3.49Å; E80-F97 HydrophobicContact CB-CB 4.06Å; E80-F97 HydrophobicContact CG-CB 4.34Å; I81-F97 PolarHBondContact N-O 3.39Å; L82-F97 HydrophobicContact CD2-CB 3.86Å; L82-F97 HydrophobicContact CD2-CD2 3.56Å; L82-F97 HydrophobicContact CD2-CE2 4.24Å; L82-F97 HydrophobicContact CD2-CG 3.74Å; P83-F97 VanDerWaalsContact CD-CE1 3.46Å; P83-F97 HydrophobicContact CG-CD1 4.26Å; P83-F97 HydrophobicContact CG-CE1 3.56Å; P83-F97 HydrophobicContact CG-CZ 4.16Å; S95-F97 VanDerWaalsContact C-N 3.27Å; S95-F97 PolarHBondContact O-N 2.8Å; F97-D116 HydrophobicContact CD1-CB 4.17Å; F97-D116 HydrophobicContact CE1-CB 4.48Å; F97-D116 WeakPolarHBondContact CE1-OD1 3.5Å |
| 98 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -95.2 | 2.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L79 S95 | L79-G98 WeakPolarHBondContact O-CA 3.23Å; S95-G98 WeakPolarHBondContact O-CA 3.27Å; S95-G98 PolarHBondContact O-N 3.06Å |
| 99 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -87.3 | 115.9 | 171.6 | -52.1 | -47.3 | 0 | 0 | 0 | 108.5 | R68 Q70 S95 V115 V197 V202 L205 | R68-I99 HydrophobicContact CB-CG2 4.43Å; Q70-I99 HydrophobicContact CG-CD1 3.88Å; S95-I99 PolarHBondContact O-N 2.74Å; I99-V115 HydrophobicContact CG2-CB 4.25Å; I99-V115 HydrophobicContact CG2-CG2 3.94Å; I99-V115 PolarHBondContact O-N 2.79Å; I99-V197 HydrophobicContact CD1-CG1 3.89Å; I99-V197 HydrophobicContact CD1-CG2 4.08Å; I99-V197 HydrophobicContact CG2-CG1 4.17Å; I99-V197 HydrophobicContact CG2-CG2 4.18Å; I99-V202 HydrophobicContact CD1-CG1 4.25Å; I99-V202 HydrophobicContact CD1-CG2 4.44Å; I99-V202 HydrophobicContact CG1-CB 4.48Å; I99-V202 HydrophobicContact CG1-CG1 4.04Å; I99-V202 HydrophobicContact CG1-CG2 4.25Å; I99-L205 HydrophobicContact CB-CD1 3.63Å; I99-L205 HydrophobicContact CG1-CD1 3.58Å; I99-L205 HydrophobicContact CG2-CD1 4Å | ||
| 100 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.8 | -170.2 | -51.2 | 175 | 0 | 0 | 0 | 110.4 | R68 R69 L71 L79 I81 F102 I112 R113 | R68-L100 CarbonylContact C-O 3.6Å; R68-L100 VanDerWaalsContact CA-O 3.24Å; R68-L100 WeakPolarHBondContact CA-O 3.23Å; R69-L100 PolarHBondContact N-O 2.69Å; R69-L100 PolarHBondContact O-N 3.5Å; R69-L100 VanDerWaalsContact O-O 3.13Å; L71-L100 HydrophobicContact CB-CD1 3.76Å; L79-L100 HydrophobicContact CD2-CD1 3.89Å; I81-L100 HydrophobicContact CD1-CD2 3.99Å; I81-L100 HydrophobicContact CG1-CD2 4.18Å; L100-F102 HydrophobicContact CB-CE2 4.42Å; L100-I112 HydrophobicContact CB-CG2 3.84Å; L100-I112 HydrophobicContact CD1-CG2 3.84Å; L100-I112 HydrophobicContact CD2-CG2 4.48Å; L100-I112 HydrophobicContact CG-CG2 4.26Å; L100-R113 CarbonylContact C-O 3.51Å; L100-R113 VanDerWaalsContact CA-O 3.27Å; L100-R113 WeakPolarHBondContact CA-O 3.39Å |
| 101 | E | 97.7 | Very high | 97.5 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.8 | 172.2 | -176.3 | -179.1 | 178.7 | 0 | 0 | 110.3 | G64 I103 R113 V115 | G64-E101 WeakPolarHBondContact CA-OE1 3.49Å; E101-I103 HydrophobicContact CG-CG1 4.37Å; E101-R113 PolarHBondContact N-O 2.75Å; E101-R113 PolarHBondContact O-N 2.78Å; E101-V115 HydrophobicContact CB-CG2 4.16Å |
| 102 | F | 96.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 10% | 0.101 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.8 | 176.5 | -82.9 | -123.6 | 0 | 0 | 0 | 110.4 | R67 R69 L71 L100 I110 I112 Y153 | R67-F102 HydrophobicContact CB-CB 4.48Å; R67-F102 WeakPolarHBondContact CB-O 3.33Å; R67-F102 WeakPolarHBondContact CD-O 3.46Å; R67-F102 PolarHBondContact O-N 2.87Å; R69-F102 HydrophobicContact CB-CD2 4.07Å; R69-F102 HydrophobicContact CB-CE2 3.93Å; R69-F102 HydrophobicContact CG-CD2 4.27Å; R69-F102 HydrophobicContact CG-CE2 4.47Å; L71-F102 HydrophobicContact CD1-CZ 3.79Å; L71-F102 HydrophobicContact CD2-CZ 4.34Å; L100-F102 HydrophobicContact CB-CE2 4.42Å; F102-I110 HydrophobicContact CD1-CD1 3.57Å; F102-I110 HydrophobicContact CE1-CD1 3.49Å; F102-I110 VanDerWaalsContact CE1-CD1 3.49Å; F102-I110 HydrophobicContact CZ-CD1 4.48Å; F102-I112 HydrophobicContact CE1-CD1 4.45Å; F102-I112 HydrophobicContact CE1-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG2 4.35Å; F102-I112 HydrophobicContact CZ-CD1 4.15Å; F102-I112 HydrophobicContact CZ-CG1 4.22Å; F102-Y153 HydrophobicContact CE1-CE1 4.06Å |
| 103 | I | 96.2 | Very high | 97.5 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.7 | -178.9 | -58.5 | 165.2 | 0 | 0 | 0 | 107.9 | E101 I105 I110 S111 R113 Y120 | E101-I103 HydrophobicContact CG-CG1 4.37Å; I103-I105 HydrophobicContact CG2-CD1 4.12Å; I103-I105 PolarHBondContact O-N 3.31Å; I103-I110 CarbonylContact O-C 3.59Å; I103-I110 VanDerWaalsContact O-CA 3.3Å; I103-I110 WeakPolarHBondContact O-CA 3.25Å; I103-S111 PolarHBondContact N-O 3.42Å; I103-S111 PolarHBondContact O-N 2.97Å; I103-R113 HydrophobicContact CD1-CB 4.14Å; I103-Y120 HydrophobicContact CD1-CD1 4.44Å; I103-Y120 HydrophobicContact CD1-CE1 3.7Å |
| 104 | S | 95.2 | Very high | 97.5 | Very high | 73 Ų | 73 | 38.4 Ų | 38.4 | 51% | 0.51 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 120.5 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 105 | I | 96.2 | Very high | 97.5 | Very high | 76 Ų | 76 | 39 Ų | 39 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -47.5 | 178.1 | -56.8 | -60.2 | 0 | 0 | 0 | 110 | I103 L109 L135 | I103-I105 HydrophobicContact CG2-CD1 4.12Å; I103-I105 PolarHBondContact O-N 3.31Å; I105-L109 HydrophobicContact CB-CB 4.22Å; I105-L109 PolarHBondContact N-O 3.09Å; I105-L135 HydrophobicContact CD1-CD2 4.36Å |
| 106 | A | 95.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | -179.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G108 L109 | A106-G108 PolarHBondContact O-N 3.31Å; A106-G108 VanDerWaalsContact O-N 3.1Å; A106-L109 HydrophobicContact CB-CB 4.18Å; A106-L109 HydrophobicContact CB-CD1 4.19Å; A106-L109 HydrophobicContact CB-CG 4.39Å; A106-L109 PolarHBondContact N-O 3.36Å; A106-L109 PolarHBondContact O-N 3.41Å |
| 107 | V | 95.4 | Very high | 97.5 | Very high | 152 Ų | 152 | 35.6 Ų | 35.6 | 92% | 0.921 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 118.9 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | L109 | V107-L109 PolarHBondContact O-N 2.78Š|
| 108 | G | 95.7 | Very high | 97.4 | Very high | 37 Ų | 37 | 35 Ų | 35 | 38% | 0.381 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A106 R142 E143 | A106-G108 PolarHBondContact O-N 3.31Å; A106-G108 VanDerWaalsContact O-N 3.1Å; G108-R142 CarbonylContact O-C 3.6Å; G108-R142 WeakPolarHBondContact O-CA 3.12Å; G108-E143 PolarHBondContact O-N 2.95Å |
| 109 | L | 98.3 | Very high | 97.4 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 16% | 0.162 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.6 | 175.7 | -60.4 | -174.5 | 0 | 0 | 0 | 110.7 | I105 A106 V107 V140 F141 R142 N156 | I105-L109 HydrophobicContact CB-CB 4.22Å; I105-L109 PolarHBondContact N-O 3.09Å; A106-L109 HydrophobicContact CB-CB 4.18Å; A106-L109 HydrophobicContact CB-CD1 4.19Å; A106-L109 HydrophobicContact CB-CG 4.39Å; A106-L109 PolarHBondContact N-O 3.36Å; A106-L109 PolarHBondContact O-N 3.41Å; V107-L109 PolarHBondContact O-N 2.78Å; L109-V140 HydrophobicContact CB-CG1 4.18Å; L109-V140 HydrophobicContact CD1-CG1 4.44Å; L109-F141 CarbonylContact C-O 3.51Å; L109-F141 WeakPolarHBondContact CA-O 3.24Å; L109-R142 HydrophobicContact CD2-CB 4.26Å; L109-R142 HydrophobicContact CD2-CG 3.33Å; L109-N156 HydrophobicContact CD2-CB 4.45Å |
| 110 | I | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 159.1 | -178.9 | 68.4 | 163.3 | 0 | 0 | 0 | 111.6 | F102 I103 I112 F141 E143 Y153 | F102-I110 HydrophobicContact CD1-CD1 3.57Å; F102-I110 HydrophobicContact CE1-CD1 3.49Å; F102-I110 VanDerWaalsContact CE1-CD1 3.49Å; F102-I110 HydrophobicContact CZ-CD1 4.48Å; I103-I110 CarbonylContact O-C 3.59Å; I103-I110 VanDerWaalsContact O-CA 3.3Å; I103-I110 WeakPolarHBondContact O-CA 3.25Å; I110-I112 HydrophobicContact CD1-CD1 3.95Å; I110-I112 HydrophobicContact CD1-CG1 3.77Å; I110-I112 HydrophobicContact CG1-CG1 4.45Å; I110-F141 HydrophobicContact CG1-CB 4.47Å; I110-F141 PolarHBondContact N-O 3.02Å; I110-F141 PolarHBondContact O-N 3.01Å; I110-E143 HydrophobicContact CD1-CB 4.31Å; I110-E143 HydrophobicContact CG1-CB 4.27Å; I110-E143 HydrophobicContact CG2-CB 4.33Å; I110-Y153 HydrophobicContact CD1-CD1 3.66Å; I110-Y153 HydrophobicContact CD1-CE1 3.36Å; I110-Y153 HydrophobicContact CG1-CD1 4.29Å; I110-Y153 HydrophobicContact CG1-CE1 4.37Å |
| 111 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.9 | 158.3 | -68.8 | 0 | 0 | 0 | 0 | 109.1 | I103 L135 C139 | I103-S111 PolarHBondContact N-O 3.42Å; I103-S111 PolarHBondContact O-N 2.97Å; S111-L135 WeakPolarHBondContact OG-CD1 3.39Å; S111-C139 WeakPolarHBondContact CA-O 3.46Å; S111-C139 WeakPolarHBondContact CB-O 3.49Å; S111-C139 PolarHBondContact OG-O 2.94Å |
| 112 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125 | -177.5 | -59.9 | 169 | 0 | 0 | 0 | 106.8 | L71 L100 F102 I110 Y120 L121 Y153 | L71-I112 HydrophobicContact CD2-CD1 4.02Å; L100-I112 HydrophobicContact CB-CG2 3.84Å; L100-I112 HydrophobicContact CD1-CG2 3.84Å; L100-I112 HydrophobicContact CD2-CG2 4.48Å; L100-I112 HydrophobicContact CG-CG2 4.26Å; F102-I112 HydrophobicContact CE1-CD1 4.45Å; F102-I112 HydrophobicContact CE1-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG1 4.38Å; F102-I112 HydrophobicContact CE2-CG2 4.35Å; F102-I112 HydrophobicContact CZ-CD1 4.15Å; F102-I112 HydrophobicContact CZ-CG1 4.22Å; I110-I112 HydrophobicContact CD1-CD1 3.95Å; I110-I112 HydrophobicContact CD1-CG1 3.77Å; I110-I112 HydrophobicContact CG1-CG1 4.45Å; I112-Y120 CarbonylContact O-C 3.51Å; I112-Y120 WeakPolarHBondContact O-CA 3.08Å; I112-L121 HydrophobicContact CB-CB 4.16Å; I112-L121 HydrophobicContact CD1-CD2 4.13Å; I112-L121 PolarHBondContact O-N 3.47Å; I112-Y153 HydrophobicContact CD1-CD1 4.43Å |
| 113 | R | 98.6 | Very high | 97.6 | Very high | 78 Ų | 78 | 34.7 Ų | 34.7 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.3 | -179.6 | -170.7 | -176.1 | 179.3 | -151.6 | -0.6 | 110.4 | L100 E101 I103 V115 A118 L119 Y120 | L100-R113 CarbonylContact C-O 3.51Å; L100-R113 VanDerWaalsContact CA-O 3.27Å; L100-R113 WeakPolarHBondContact CA-O 3.39Å; E101-R113 PolarHBondContact N-O 2.75Å; E101-R113 PolarHBondContact O-N 2.78Å; I103-R113 HydrophobicContact CD1-CB 4.14Å; R113-V115 PolarHBondContact O-N 2.86Å; R113-A118 PolarHBondContact NE-O 3.26Å; R113-L119 CarbonylContact C-O 3.48Å; R113-L119 WeakPolarHBondContact CA-O 3.36Å; R113-L119 WeakPolarHBondContact CG-O 3.48Å; R113-Y120 HydrophobicContact CB-CD1 4Å; R113-Y120 HydrophobicContact CB-CE1 4.1Å; R113-Y120 HydrophobicContact CG-CD1 4.16Å; R113-Y120 HydrophobicContact CG-CE1 4.11Å; R113-Y120 HydrophobicContact CG-CG 4.5Å |
| 114 | G | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 124.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A118 L119 | G114-A118 VanDerWaalsContact O-CA 3.22Å; G114-A118 WeakPolarHBondContact O-CA 3.22Å; G114-A118 PolarHBondContact O-N 3.11Å; G114-L119 PolarHBondContact N-O 3.08Å |
| 115 | V | 97.2 | Very high | 97.9 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -46.8 | -177.5 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | R68 I99 E101 R113 L205 | R68-V115 HydrophobicContact CG-CG2 4.04Å; I99-V115 HydrophobicContact CG2-CB 4.25Å; I99-V115 HydrophobicContact CG2-CG2 3.94Å; I99-V115 PolarHBondContact O-N 2.79Å; E101-V115 HydrophobicContact CB-CG2 4.16Å; R113-V115 PolarHBondContact O-N 2.86Å; V115-L205 HydrophobicContact CG1-CB 4.18Å; V115-L205 HydrophobicContact CG1-CD1 4.36Å; V115-L205 HydrophobicContact CG1-CD2 4.47Å |
| 116 | D | 97.4 | Very high | 98 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 21% | 0.214 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -48.1 | -178.3 | -169.2 | -104.2 | 0 | 0 | 0 | 112.9 | R96 F97 A118 L205 | R96-D116 HydrophobicContact CG-CB 4.16Å; R96-D116 IonicContact CZ-OD1 2.68Å; R96-D116 IonicContact CZ-OD2 3.4Å; R96-D116 IonicContact NE-OD1 3.12Å; R96-D116 PolarHBondContact NE-OD1 3.03Å; R96-D116 IonicContact NE-OD2 3.3Å; R96-D116 PolarHBondContact NE-OD2 2.81Å; R96-D116 IonicContact NH2-OD1 3.26Å; R96-D116 PolarHBondContact NH2-OD1 3.31Å; R96-D116 IonicContact NH2-OD2 3.3Å; R96-D116 PolarHBondContact NH2-OD2 2.97Å; F97-D116 HydrophobicContact CD1-CB 4.17Å; F97-D116 HydrophobicContact CE1-CB 4.48Å; F97-D116 WeakPolarHBondContact CE1-OD1 3.5Å; D116-A118 PolarHBondContact O-N 2.88Å; D116-L205 HydrophobicContact CB-CD2 3.72Å; D116-L205 VanDerWaalsContact OD2-CD2 3.31Å; D116-L205 WeakPolarHBondContact OD2-CD2 3.07Å |
| 117 | S | 98.2 | Very high | 98.1 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -15.5 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | I81 L119 | I81-S117 VanDerWaalsContact O-CB 3.26Å; I81-S117 WeakPolarHBondContact O-CB 3.36Å; I81-S117 PolarHBondContact O-OG 3.17Å; S117-L119 WeakPolarHBondContact O-CG 3.17Å; S117-L119 PolarHBondContact O-N 3.15Å |
| 118 | A | 97.7 | Very high | 98.3 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | trans | 60.1 | 4.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R113 G114 D116 | R113-A118 PolarHBondContact NE-O 3.26Å; G114-A118 VanDerWaalsContact O-CA 3.22Å; G114-A118 WeakPolarHBondContact O-CA 3.22Å; G114-A118 PolarHBondContact O-N 3.11Å; D116-A118 PolarHBondContact O-N 2.88Å | ||
| 119 | L | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 146 | -178.4 | -57.3 | -178.7 | 0 | 0 | 0 | 111.9 | I81 L82 R113 G114 S117 S132 E133 | I81-L119 HydrophobicContact CG2-CB 3.87Å; I81-L119 HydrophobicContact CG2-CD1 4.4Å; L82-L119 WeakPolarHBondContact O-CD1 3.33Å; R113-L119 CarbonylContact C-O 3.48Å; R113-L119 WeakPolarHBondContact CA-O 3.36Å; R113-L119 WeakPolarHBondContact CG-O 3.48Å; G114-L119 PolarHBondContact N-O 3.08Å; S117-L119 WeakPolarHBondContact O-CG 3.17Å; S117-L119 PolarHBondContact O-N 3.15Å; L119-S132 CarbonylContact C-O 3.55Å; L119-S132 WeakPolarHBondContact CA-O 3.24Å; L119-E133 HydrophobicContact CD2-CB 4.3Å; L119-E133 HydrophobicContact CD2-CG 3.74Å |
| 120 | Y | 98.9 | Very high | 98.5 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 15% | 0.153 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 138.8 | 171.2 | -61.1 | -89.2 | 0 | 0 | 0 | 110.2 | I103 I112 R113 G122 G131 S132 L135 | I103-Y120 HydrophobicContact CD1-CD1 4.44Å; I103-Y120 HydrophobicContact CD1-CE1 3.7Å; I112-Y120 CarbonylContact O-C 3.51Å; I112-Y120 WeakPolarHBondContact O-CA 3.08Å; R113-Y120 HydrophobicContact CB-CD1 4Å; R113-Y120 HydrophobicContact CB-CE1 4.1Å; R113-Y120 HydrophobicContact CG-CD1 4.16Å; R113-Y120 HydrophobicContact CG-CE1 4.11Å; R113-Y120 HydrophobicContact CG-CG 4.5Å; Y120-G122 PolarHBondContact O-N 3.15Å; Y120-G131 CarbonylContact O-C 3.45Å; Y120-G131 WeakPolarHBondContact O-CA 3.38Å; Y120-S132 PolarHBondContact N-O 2.77Å; Y120-S132 PolarHBondContact O-N 3.38Å; Y120-L135 HydrophobicContact CD1-CB 4.33Å; Y120-L135 HydrophobicContact CD1-CD1 3.92Å; Y120-L135 HydrophobicContact CD2-CB 4.31Å; Y120-L135 HydrophobicContact CE1-CB 4.08Å; Y120-L135 HydrophobicContact CE1-CD1 4.14Å; Y120-L135 HydrophobicContact CE2-CB 4.08Å; Y120-L135 HydrophobicContact CG-CB 4.43Å; Y120-L135 HydrophobicContact CG-CD1 4.43Å |
| 121 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 124.5 | 166.3 | -177.2 | 61.7 | 0 | 0 | 0 | 108.3 | L79 I81 V87 I112 L129 C139 F141 V169 | L79-L121 HydrophobicContact CD1-CD2 4.38Å; L79-L121 HydrophobicContact CD2-CD2 4.43Å; I81-L121 HydrophobicContact CD1-CB 3.86Å; V87-L121 HydrophobicContact CG1-CD1 4.04Å; V87-L121 HydrophobicContact CG2-CD1 3.73Å; I112-L121 HydrophobicContact CB-CB 4.16Å; I112-L121 HydrophobicContact CD1-CD2 4.13Å; I112-L121 PolarHBondContact O-N 3.47Å; L121-L129 HydrophobicContact CD1-CB 4.43Å; L121-L129 HydrophobicContact CD1-CD2 4.38Å; L121-C139 VanDerWaalsContact O-CA 3.25Å; L121-C139 WeakPolarHBondContact O-CA 3.23Å; L121-C139 WeakPolarHBondContact O-CB 3.46Å; L121-F141 HydrophobicContact CB-CE2 4.07Å; L121-F141 HydrophobicContact CB-CZ 4.46Å; L121-F141 HydrophobicContact CD2-CE2 4.03Å; L121-F141 HydrophobicContact CD2-CZ 4.12Å; L121-F141 HydrophobicContact CG-CE2 3.88Å; L121-F141 HydrophobicContact CG-CZ 3.84Å; L121-F141 VanDerWaalsContact O-CE2 3.24Å; L121-F141 WeakPolarHBondContact O-CE2 3.32Å; L121-V169 HydrophobicContact CD2-CG1 4.25Å; L121-V169 HydrophobicContact CD2-CG2 4.22Å |
| 122 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 156.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y120 L129 Y130 E138 | Y120-G122 PolarHBondContact O-N 3.15Å; G122-L129 WeakPolarHBondContact O-CA 3.1Å; G122-Y130 PolarHBondContact N-O 2.88Å; G122-Y130 PolarHBondContact O-N 2.84Å; G122-E138 WeakPolarHBondContact CA-O 3.36Å |
| 123 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 121.3 | 168.9 | -178.1 | -175.2 | -69.1 | 0 | 0 | 109.6 | E128 L129 E138 F141 Y158 Y167 F168 V169 | M123-E128 WeakPolarHBondContact CA-O 3.5Å; M123-L129 HydrophobicContact CB-CD2 4.04Å; M123-L129 HydrophobicContact CE-CD2 3.44Å; M123-L129 VanDerWaalsContact CE-CD2 3.44Å; M123-L129 HydrophobicContact CG-CD2 4.26Å; M123-E138 PolarHBondContact N-O 2.75Å; M123-E138 WeakPolarHBondContact O-CB 3.36Å; M123-F141 HydrophobicContact CB-CE1 3.98Å; M123-F141 HydrophobicContact CB-CZ 4.32Å; M123-F141 HydrophobicContact CE-CE1 4.4Å; M123-Y158 WeakPolarHBondContact O-CD2 3.22Å; M123-Y158 VanDerWaalsContact O-CE2 3.27Å; M123-Y158 WeakPolarHBondContact O-CE2 3.45Å; M123-Y167 WeakPolarHBondContact SD-CB 3.36Å; M123-Y167 HydrophobicContact SD-CD2 4.41Å; M123-Y167 HydrophobicContact SD-CG 4.49Å; M123-F168 VanDerWaalsContact CE-C 3.46Å; M123-F168 WeakPolarHBondContact CE-O 3.41Å; M123-V169 HydrophobicContact CE-CG2 4.09Å |
| 124 | N | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 46.3 Ų | 46.3 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | trans | -80.9 | 178 | -178.8 | 71.6 | 12.4 | 0 | 0 | 0 | 113.1 | K126 G127 E128 Y130 E138 Y158 | N124-K126 PolarHBondContact O-N 3.45Å; N124-K126 WeakPolarHBondContact OD1-CA 3.36Å; N124-K126 WeakPolarHBondContact OD1-CB 3.44Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.08Å; N124-G127 WeakPolarHBondContact O-CA 3.44Å; N124-G127 PolarHBondContact O-N 2.62Å; N124-G127 PolarHBondContact OD1-N 3.38Å; N124-G127 VanDerWaalsContact OD1-N 3.15Å; N124-E128 PolarHBondContact N-O 3.2Å; N124-E128 VanDerWaalsContact N-O 3.11Å; N124-E128 PolarHBondContact ND2-OE2 3.17Å; N124-E128 WeakPolarHBondContact OD1-CB 3.49Å; N124-E128 PolarHBondContact OD1-N 2.81Å; N124-Y130 HydrophobicContact CB-CD1 4.45Å; N124-Y130 HydrophobicContact CB-CE1 4.08Å; N124-E138 WeakPolarHBondContact CA-OE1 3.35Å; N124-Y158 WeakPolarHBondContact O-CD2 3.45Å | ||
| 125 | D | 98.3 | Very high | 98.5 | Very high | 96 Ų | 96 | 50.3 Ų | 50.3 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.5 | 178.5 | 67.3 | -21 | 0 | 0 | 0 | 114.3 | G127 Y158 | D125-G127 VanDerWaalsContact C-N 3.29Å; D125-Y158 HydrophobicContact CB-CD1 4.32Å; D125-Y158 HydrophobicContact CB-CE1 3.75Å; D125-Y158 HydrophobicContact CB-CE2 4.43Å |
| 126 | K | 98.3 | Very high | 98.5 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 57% | 0.574 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0 | 172.3 | -61.6 | 174.7 | -171.6 | 172.1 | 0 | 113.4 | N124 E128 T181 | N124-K126 PolarHBondContact O-N 3.45Å; N124-K126 WeakPolarHBondContact OD1-CA 3.36Å; N124-K126 WeakPolarHBondContact OD1-CB 3.44Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.08Å; K126-E128 VanDerWaalsContact C-N 3.3Å; K126-E128 HydrophobicContact CB-CG 4.12Å; K126-T181 VanDerWaalsContact O-CG2 3.23Å; K126-T181 WeakPolarHBondContact O-CG2 3.4Å |
| 127 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | 75.1 | 15.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N124 D125 G180 | N124-G127 WeakPolarHBondContact O-CA 3.44Å; N124-G127 PolarHBondContact O-N 2.62Å; N124-G127 PolarHBondContact OD1-N 3.38Å; N124-G127 VanDerWaalsContact OD1-N 3.15Å; D125-G127 VanDerWaalsContact C-N 3.29Å; G127-G180 PolarHBondContact O-N 3.23Å | ||
| 128 | E | 98.9 | Very high | 98.6 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | trans | -81.8 | 133.5 | 178.3 | -57.4 | 168.3 | 144.1 | 0 | 0 | 109.7 | M123 N124 K126 | M123-E128 WeakPolarHBondContact CA-O 3.5Å; N124-E128 PolarHBondContact N-O 3.2Å; N124-E128 VanDerWaalsContact N-O 3.11Å; N124-E128 PolarHBondContact ND2-OE2 3.17Å; N124-E128 WeakPolarHBondContact OD1-CB 3.49Å; N124-E128 PolarHBondContact OD1-N 2.81Å; K126-E128 VanDerWaalsContact C-N 3.3Å; K126-E128 HydrophobicContact CB-CG 4.12Å | ||
| 129 | L | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 136.7 | 175.8 | -62.2 | 179.4 | 0 | 0 | 0 | 110.3 | V87 L121 G122 M123 V169 A177 | V87-L129 HydrophobicContact CB-CB 3.97Å; V87-L129 HydrophobicContact CG1-CB 4.05Å; V87-L129 HydrophobicContact CG1-CD1 4.19Å; V87-L129 HydrophobicContact CG2-CB 4.2Å; L121-L129 HydrophobicContact CD1-CB 4.43Å; L121-L129 HydrophobicContact CD1-CD2 4.38Å; G122-L129 WeakPolarHBondContact O-CA 3.1Å; M123-L129 HydrophobicContact CB-CD2 4.04Å; M123-L129 HydrophobicContact CE-CD2 3.44Å; M123-L129 VanDerWaalsContact CE-CD2 3.44Å; M123-L129 HydrophobicContact CG-CD2 4.26Å; L129-V169 HydrophobicContact CD1-CG1 3.88Å; L129-V169 HydrophobicContact CD2-CG1 4.44Å; L129-V169 HydrophobicContact CD2-CG2 4.14Å; L129-A177 HydrophobicContact CB-CB 4.36Å; L129-A177 HydrophobicContact CD1-CB 4.32Å |
| 130 | Y | 98.9 | Very high | 98.7 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 165.3 | 178.6 | 72.2 | -83.9 | 0 | 0 | 0 | 111.3 | G85 G122 N124 E138 | G85-Y130 CarbonylContact O-C 3.52Å; G85-Y130 WeakPolarHBondContact O-CA 3.25Å; G122-Y130 PolarHBondContact N-O 2.88Å; G122-Y130 PolarHBondContact O-N 2.84Å; N124-Y130 HydrophobicContact CB-CD1 4.45Å; N124-Y130 HydrophobicContact CB-CE1 4.08Å; Y130-E138 WeakPolarHBondContact CE1-OE2 3.4Å; Y130-E138 VanDerWaalsContact CZ-OE2 3.31Å; Y130-E138 PolarHBondContact OH-OE2 3.13Å |
| 131 | G | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G85 Y120 | G85-G131 PolarHBondContact O-N 2.87Å; Y120-G131 CarbonylContact O-C 3.45Å; Y120-G131 WeakPolarHBondContact O-CA 3.38Å |
| 132 | S | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.8 | 178 | -177 | 0 | 0 | 0 | 0 | 111.3 | L119 Y120 K134 C139 | L119-S132 CarbonylContact C-O 3.55Å; L119-S132 WeakPolarHBondContact CA-O 3.24Å; Y120-S132 PolarHBondContact N-O 2.77Å; Y120-S132 PolarHBondContact O-N 3.38Å; S132-K134 VanDerWaalsContact C-N 3.25Å; S132-K134 PolarHBondContact O-N 3.28Å; S132-K134 PolarHBondContact OG-N 3.34Å; S132-K134 PolarHBondContact OG-O 3.27Å; S132-C139 VanDerWaalsContact CB-SG 3.59Å |
| 133 | E | 98.4 | Very high | 98.6 | Very high | 163 Ų | 163 | 56.4 Ų | 56.4 | 76% | 0.762 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -67 | -29 | 172.8 | -65.8 | -179.7 | 175 | 0 | 0 | 112.6 | L119 | L119-E133 HydrophobicContact CD2-CB 4.3Å; L119-E133 HydrophobicContact CD2-CG 3.74Å |
| 134 | K | 98 | Very high | 98.5 | Very high | 160 Ų | 160 | 60.4 Ų | 60.4 | 70% | 0.696 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -116.4 | 140.2 | -175.3 | -64.1 | -179.9 | -176.6 | 175.4 | 0 | 110.7 | S132 S136 | S132-K134 VanDerWaalsContact C-N 3.25Å; S132-K134 PolarHBondContact O-N 3.28Å; S132-K134 PolarHBondContact OG-N 3.34Å; S132-K134 PolarHBondContact OG-O 3.27Å; K134-S136 PolarHBondContact O-N 3.45Å; K134-S136 VanDerWaalsContact O-N 3.13Å |
| 135 | L | 98.2 | Very high | 98.3 | Very high | 85 Ų | 85 | 65.2 Ų | 65.2 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | trans | -67.2 | 111.1 | 169.6 | 179.8 | 61.9 | 0 | 0 | 0 | 109.2 | I105 S111 Y120 C139 | I105-L135 HydrophobicContact CD1-CD2 4.36Å; S111-L135 WeakPolarHBondContact OG-CD1 3.39Å; Y120-L135 HydrophobicContact CD1-CB 4.33Å; Y120-L135 HydrophobicContact CD1-CD1 3.92Å; Y120-L135 HydrophobicContact CD2-CB 4.31Å; Y120-L135 HydrophobicContact CE1-CB 4.08Å; Y120-L135 HydrophobicContact CE1-CD1 4.14Å; Y120-L135 HydrophobicContact CE2-CB 4.08Å; Y120-L135 HydrophobicContact CG-CB 4.43Å; Y120-L135 HydrophobicContact CG-CD1 4.43Å; L135-C139 HydrophobicContact CD1-CB 3.87Å | ||
| 136 | S | 98.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | trans | -122.4 | 175.3 | 179.5 | 75.5 | 0 | 0 | 0 | 0 | 111.2 | K134 E138 C139 | K134-S136 PolarHBondContact O-N 3.45Å; K134-S136 VanDerWaalsContact O-N 3.13Å; S136-E138 PolarHBondContact O-N 2.79Å; S136-E138 PolarHBondContact OG-N 3.42Å; S136-C139 WeakPolarHBondContact O-CB 3.45Å; S136-C139 PolarHBondContact O-N 3.25Å; S136-C139 PolarHBondContact OG-SG 3.37Å; S136-C139 VanDerWaalsContact OG-SG 3.39Å | ||
| 137 | A | 98.6 | Very high | 97.1 | Very high | 62 Ų | 62 | 63.1 Ų | 63.1 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -60.9 | -28.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | C139 V140 L157 | A137-C139 PolarHBondContact O-N 2.94Å; A137-V140 PolarHBondContact O-N 3.11Å; A137-L157 HydrophobicContact CB-CD2 4.1Å |
| 138 | E | 98.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -70.1 | -15.9 | 174.8 | -63.3 | -164.8 | 147.8 | 0 | 0 | 113 | G122 M123 N124 Y130 S136 L157 Y158 | G122-E138 WeakPolarHBondContact CA-O 3.36Å; M123-E138 PolarHBondContact N-O 2.75Å; M123-E138 WeakPolarHBondContact O-CB 3.36Å; N124-E138 WeakPolarHBondContact CA-OE1 3.35Å; Y130-E138 WeakPolarHBondContact CE1-OE2 3.4Å; Y130-E138 VanDerWaalsContact CZ-OE2 3.31Å; Y130-E138 PolarHBondContact OH-OE2 3.13Å; S136-E138 PolarHBondContact O-N 2.79Å; S136-E138 PolarHBondContact OG-N 3.42Å; E138-L157 HydrophobicContact CG-CD2 4.12Å; E138-Y158 HydrophobicContact CG-CE2 3.85Å; E138-Y158 PolarHBondContact OE1-OH 3.28Å |
| 139 | C | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -94.5 | 7.8 | -179.3 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | S111 L121 S132 L135 S136 A137 | S111-C139 WeakPolarHBondContact CA-O 3.46Å; S111-C139 WeakPolarHBondContact CB-O 3.49Å; S111-C139 PolarHBondContact OG-O 2.94Å; L121-C139 VanDerWaalsContact O-CA 3.25Å; L121-C139 WeakPolarHBondContact O-CA 3.23Å; L121-C139 WeakPolarHBondContact O-CB 3.46Å; S132-C139 VanDerWaalsContact CB-SG 3.59Å; L135-C139 HydrophobicContact CD1-CB 3.87Å; S136-C139 WeakPolarHBondContact O-CB 3.45Å; S136-C139 PolarHBondContact O-N 3.25Å; S136-C139 PolarHBondContact OG-SG 3.37Å; S136-C139 VanDerWaalsContact OG-SG 3.39Å; A137-C139 PolarHBondContact O-N 2.94Å |
| 140 | V | 98.8 | Very high | 95.5 | Very high | 18 Ų | 18 | 73.1 Ų | 73.1 | 11% | 0.109 | 35% | 0.351 | C | S | . | . | trans | -108 | 121.2 | -178 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | L109 A137 N156 | L109-V140 HydrophobicContact CB-CG1 4.18Å; L109-V140 HydrophobicContact CD1-CG1 4.44Å; A137-V140 PolarHBondContact O-N 3.11Å; V140-N156 HydrophobicContact CB-CB 4.32Å; V140-N156 HydrophobicContact CG1-CB 4.06Å; V140-N156 VanDerWaalsContact O-CB 3.23Å; V140-N156 WeakPolarHBondContact O-CB 3.45Å; V140-N156 PolarHBondContact O-N 2.94Å | ||
| 141 | F | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.2 | -178.8 | -56.6 | -82.9 | 0 | 0 | 0 | 111.3 | L109 I110 L121 M123 S154 V169 | L109-F141 CarbonylContact C-O 3.51Å; L109-F141 WeakPolarHBondContact CA-O 3.24Å; I110-F141 HydrophobicContact CG1-CB 4.47Å; I110-F141 PolarHBondContact N-O 3.02Å; I110-F141 PolarHBondContact O-N 3.01Å; L121-F141 HydrophobicContact CB-CE2 4.07Å; L121-F141 HydrophobicContact CB-CZ 4.46Å; L121-F141 HydrophobicContact CD2-CE2 4.03Å; L121-F141 HydrophobicContact CD2-CZ 4.12Å; L121-F141 HydrophobicContact CG-CE2 3.88Å; L121-F141 HydrophobicContact CG-CZ 3.84Å; L121-F141 VanDerWaalsContact O-CE2 3.24Å; L121-F141 WeakPolarHBondContact O-CE2 3.32Å; M123-F141 HydrophobicContact CB-CE1 3.98Å; M123-F141 HydrophobicContact CB-CZ 4.32Å; M123-F141 HydrophobicContact CE-CE1 4.4Å; F141-S154 CarbonylContact C-O 3.46Å; F141-S154 VanDerWaalsContact CA-O 3.25Å; F141-S154 WeakPolarHBondContact CA-O 3.32Å; F141-V169 HydrophobicContact CD1-CG2 3.71Å; F141-V169 HydrophobicContact CE1-CG2 3.58Å; F141-V169 HydrophobicContact CG-CG2 4.46Å; F141-V169 HydrophobicContact CZ-CG2 4.24Å |
| 142 | R | 98.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 70.6 Ų | 70.6 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.7 | 165 | -74.3 | 168.5 | -178.3 | -108.6 | -2.8 | 108.9 | G108 L109 Y153 S154 N156 R166 | G108-R142 CarbonylContact O-C 3.6Å; G108-R142 WeakPolarHBondContact O-CA 3.12Å; L109-R142 HydrophobicContact CD2-CB 4.26Å; L109-R142 HydrophobicContact CD2-CG 3.33Å; R142-Y153 WeakPolarHBondContact O-CA 3.49Å; R142-S154 PolarHBondContact N-O 3.19Å; R142-S154 PolarHBondContact O-N 2.95Å; R142-N156 PolarHBondContact NE-OD1 2.8Å; R142-N156 PolarHBondContact NH2-OD1 3.35Å; R142-R166 VanDerWaalsContact CD-CZ 3.43Å |
| 143 | E | 98 | Very high | 95.4 | Very high | 58 Ų | 58 | 69.9 Ų | 69.9 | 27% | 0.271 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.4 | 169.7 | 178.2 | 176.2 | -126.6 | 0 | 0 | 108.8 | G108 I110 N151 T152 Y153 | G108-E143 PolarHBondContact O-N 2.95Å; I110-E143 HydrophobicContact CD1-CB 4.31Å; I110-E143 HydrophobicContact CG1-CB 4.27Å; I110-E143 HydrophobicContact CG2-CB 4.33Å; E143-N151 HydrophobicContact CG-CB 4.31Å; E143-N151 PolarHBondContact OE1-ND2 2.95Å; E143-T152 WeakPolarHBondContact CA-O 3.39Å; E143-Y153 HydrophobicContact CB-CD1 4.04Å; E143-Y153 HydrophobicContact CB-CE1 3.82Å; E143-Y153 HydrophobicContact CG-CD1 4.26Å; E143-Y153 HydrophobicContact CG-CE1 3.61Å; E143-Y153 WeakPolarHBondContact OE1-CE1 3.27Å; E143-Y153 PolarHBondContact OE1-OH 3.26Å |
| 144 | Q | 96.7 | Very high | 95.5 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.7 | 176 | -67.6 | -179.1 | -68.1 | 0 | 0 | 110 | N151 T152 | Q144-N151 CarbonylContact O-C 3.58Å; Q144-N151 VanDerWaalsContact O-CA 3.3Å; Q144-N151 WeakPolarHBondContact O-CA 3.34Å; Q144-T152 PolarHBondContact N-O 2.78Å; Q144-T152 PolarHBondContact O-N 3.01Å; Q144-T152 PolarHBondContact O-OG1 2.86Å |
| 145 | F | 93.6 | Very high | 95.5 | Very high | 130 Ų | 130 | 54.5 Ų | 54.5 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 137.4 | 173.8 | -166.6 | -99.9 | 0 | 0 | 0 | 110 | W149 | F145-W149 HydrophobicContact CE2-CD2 4.42Å; F145-W149 AromaticContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CZ3 4.34Å; F145-W149 HydrophobicContact CZ-CD2 4.15Å; F145-W149 AromaticContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CZ3 4.28Å |
| 146 | E | 89.2 | Confident | 95.5 | Very high | 36 Ų | 36 | 53 Ų | 53 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | trans | -122.7 | 172.7 | 175.3 | -156.9 | 64.3 | -128.5 | 0 | 0 | 108.1 | Y150 T152 R185 | E146-Y150 CarbonylContact C-O 3.54Å; E146-Y150 WeakPolarHBondContact CA-O 3.31Å; E146-Y150 VanDerWaalsContact CB-O 3.27Å; E146-Y150 WeakPolarHBondContact CB-O 3.23Å; E146-Y150 PolarHBondContact N-O 3.02Å; E146-T152 HydrophobicContact CB-CG2 4.38Å; E146-T152 HydrophobicContact CG-CG2 4.31Å; E146-R185 WeakPolarHBondContact OE2-CD 3.3Å; E146-R185 WeakPolarHBondContact OE2-CG 3.48Å; E146-R185 IonicContact OE2-CZ 2.72Å; E146-R185 IonicContact OE2-NH1 3.63Å; E146-R185 PolarHBondContact OE2-NH1 3.44Å | ||
| 147 | E | 82.9 | Confident | 95.5 | Very high | 148 Ų | 148 | 54.7 Ų | 54.7 | 69% | 0.692 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -58.3 | 153.3 | 179.7 | -61.4 | 176.2 | -179.4 | 0 | 0 | 112.7 | W149 Y150 | E147-W149 VanDerWaalsContact C-N 3.34Å; E147-W149 PolarHBondContact O-N 2.99Å; E147-Y150 PolarHBondContact O-N 2.76Å |
| 148 | N | 81.5 | Confident | 95.5 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 64% | 0.642 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | 59.7 | 34.7 | 175.4 | -53.9 | -64.1 | 0 | 0 | 0 | 115.2 | Y150 | N148-Y150 HydrophobicContact CB-CD2 4.37Å; N148-Y150 WeakPolarHBondContact O-CD2 3.46Å; N148-Y150 PolarHBondContact O-N 2.79Å |
| 149 | W | 86.3 | Confident | 95.4 | Very high | 198 Ų | 198 | 56.3 Ų | 56.3 | 75% | 0.75 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | 68.8 | 12.2 | 176.7 | -50.2 | 97.6 | 0 | 0 | 0 | 115.4 | F145 E147 L193 | F145-W149 HydrophobicContact CE2-CD2 4.42Å; F145-W149 AromaticContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CE3 3.74Å; F145-W149 HydrophobicContact CE2-CZ3 4.34Å; F145-W149 HydrophobicContact CZ-CD2 4.15Å; F145-W149 AromaticContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CE3 3.77Å; F145-W149 HydrophobicContact CZ-CZ3 4.28Å; E147-W149 VanDerWaalsContact C-N 3.34Å; E147-W149 PolarHBondContact O-N 2.99Å; W149-L193 HydrophobicContact CB-CD1 4.32Å; W149-L193 WeakPolarHBondContact O-CD1 3.5Å |
| 150 | Y | 95.8 | Very high | 95.2 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | trans | -82.8 | 151.1 | 169.9 | -76.9 | -94.6 | 0 | 0 | 0 | 110.1 | R74 E146 E147 N148 H191 F192 L193 | R74-Y150 HydrophobicContact CB-CD1 4.39Å; R74-Y150 HydrophobicContact CB-CE1 3.88Å; R74-Y150 WeakPolarHBondContact CD-OH 3.3Å; R74-Y150 HydrophobicContact CG-CE1 4.4Å; R74-Y150 VanDerWaalsContact NH1-CE2 3.28Å; R74-Y150 PolarHBondContact NH1-OH 2.81Å; E146-Y150 CarbonylContact C-O 3.54Å; E146-Y150 WeakPolarHBondContact CA-O 3.31Å; E146-Y150 VanDerWaalsContact CB-O 3.27Å; E146-Y150 WeakPolarHBondContact CB-O 3.23Å; E146-Y150 PolarHBondContact N-O 3.02Å; E147-Y150 PolarHBondContact O-N 2.76Å; N148-Y150 HydrophobicContact CB-CD2 4.37Å; N148-Y150 WeakPolarHBondContact O-CD2 3.46Å; N148-Y150 PolarHBondContact O-N 2.79Å; Y150-H191 HydrophobicContact CD1-CB 3.71Å; Y150-H191 HydrophobicContact CG-CB 4Å; Y150-F192 VanDerWaalsContact CD1-C 3.48Å; Y150-L193 HydrophobicContact CD1-CB 3.94Å; Y150-L193 HydrophobicContact CE1-CB 3.63Å | ||
| 151 | N | 97.6 | Very high | 94.9 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 158.7 | 167.9 | -66.6 | -13.8 | 0 | 0 | 0 | 109.5 | E143 Q144 Y153 F192 | E143-N151 HydrophobicContact CG-CB 4.31Å; E143-N151 PolarHBondContact OE1-ND2 2.95Å; Q144-N151 CarbonylContact O-C 3.58Å; Q144-N151 VanDerWaalsContact O-CA 3.3Å; Q144-N151 WeakPolarHBondContact O-CA 3.34Å; N151-Y153 HydrophobicContact CB-CE1 4.44Å; N151-Y153 HydrophobicContact CB-CE2 3.96Å; N151-Y153 PolarHBondContact ND2-OH 2.79Å; N151-F192 PolarHBondContact N-O 3.43Å; N151-F192 PolarHBondContact O-N 2.75Å |
| 152 | T | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 146.3 | 163.9 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | E143 Q144 E146 F168 R185 | E143-T152 WeakPolarHBondContact CA-O 3.39Å; Q144-T152 PolarHBondContact N-O 2.78Å; Q144-T152 PolarHBondContact O-N 3.01Å; Q144-T152 PolarHBondContact O-OG1 2.86Å; E146-T152 HydrophobicContact CB-CG2 4.38Å; E146-T152 HydrophobicContact CG-CG2 4.31Å; T152-F168 HydrophobicContact CG2-CE1 4.47Å; T152-R185 HydrophobicContact CG2-CG 4.33Å; T152-R185 PolarHBondContact OG1-NH1 2.91Å |
| 153 | Y | 98.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 114.5 | 176.9 | -56.8 | -81.1 | 0 | 0 | 0 | 108.4 | L71 F102 I110 I112 R142 E143 N151 F168 V169 F192 P194 | L71-Y153 HydrophobicContact CD1-CE2 3.74Å; L71-Y153 HydrophobicContact CD2-CD2 4.19Å; L71-Y153 HydrophobicContact CD2-CE2 3.91Å; L71-Y153 HydrophobicContact CG-CE2 4.29Å; F102-Y153 HydrophobicContact CE1-CE1 4.06Å; I110-Y153 HydrophobicContact CD1-CD1 3.66Å; I110-Y153 HydrophobicContact CD1-CE1 3.36Å; I110-Y153 HydrophobicContact CG1-CD1 4.29Å; I110-Y153 HydrophobicContact CG1-CE1 4.37Å; I112-Y153 HydrophobicContact CD1-CD1 4.43Å; R142-Y153 WeakPolarHBondContact O-CA 3.49Å; E143-Y153 HydrophobicContact CB-CD1 4.04Å; E143-Y153 HydrophobicContact CB-CE1 3.82Å; E143-Y153 HydrophobicContact CG-CD1 4.26Å; E143-Y153 HydrophobicContact CG-CE1 3.61Å; E143-Y153 WeakPolarHBondContact OE1-CE1 3.27Å; E143-Y153 PolarHBondContact OE1-OH 3.26Å; N151-Y153 HydrophobicContact CB-CE1 4.44Å; N151-Y153 HydrophobicContact CB-CE2 3.96Å; N151-Y153 PolarHBondContact ND2-OH 2.79Å; Y153-F168 WeakPolarHBondContact O-CA 3.31Å; Y153-V169 PolarHBondContact O-N 3.13Å; Y153-F192 HydrophobicContact CD2-CB 4.13Å; Y153-F192 HydrophobicContact CD2-CD2 4.18Å; Y153-F192 HydrophobicContact CD2-CG 4.39Å; Y153-F192 HydrophobicContact CE2-CB 3.71Å; Y153-F192 HydrophobicContact CE2-CG 4.4Å; Y153-P194 WeakPolarHBondContact OH-CG 3.32Å |
| 154 | S | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 146.7 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | F141 R142 N156 R166 Y167 | F141-S154 CarbonylContact C-O 3.46Å; F141-S154 VanDerWaalsContact CA-O 3.25Å; F141-S154 WeakPolarHBondContact CA-O 3.32Å; R142-S154 PolarHBondContact N-O 3.19Å; R142-S154 PolarHBondContact O-N 2.95Å; S154-N156 PolarHBondContact O-N 2.79Å; S154-R166 WeakPolarHBondContact OG-CD 3.49Å; S154-Y167 CarbonylContact C-O 3.52Å; S154-Y167 WeakPolarHBondContact CA-O 3.2Å; S154-Y167 VanDerWaalsContact CB-O 3.24Å; S154-Y167 WeakPolarHBondContact CB-O 3.17Å |
| 155 | S | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 129.9 | 176.2 | -179 | 0 | 0 | 0 | 0 | 109.7 | L157 Y158 R166 Y167 | S155-L157 PolarHBondContact OG-N 2.84Å; S155-Y158 PolarHBondContact OG-N 2.74Å; S155-R166 PolarHBondContact O-NH1 3.47Å; S155-Y167 PolarHBondContact N-O 2.93Å |
| 156 | N | 98.3 | Very high | 93 | Very high | 52 Ų | 52 | 68.6 Ų | 68.6 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -30.9 | 171.6 | -173.5 | 47.5 | 0 | 0 | 0 | 110.9 | L109 V140 R142 S154 R166 | L109-N156 HydrophobicContact CD2-CB 4.45Å; V140-N156 HydrophobicContact CB-CB 4.32Å; V140-N156 HydrophobicContact CG1-CB 4.06Å; V140-N156 VanDerWaalsContact O-CB 3.23Å; V140-N156 WeakPolarHBondContact O-CB 3.45Å; V140-N156 PolarHBondContact O-N 2.94Å; R142-N156 PolarHBondContact NE-OD1 2.8Å; R142-N156 PolarHBondContact NH2-OD1 3.35Å; S154-N156 PolarHBondContact O-N 2.79Å; N156-R166 PolarHBondContact O-NH1 3.17Å |
| 157 | L | 98 | Very high | 93.5 | Very high | 83 Ų | 83 | 68.3 Ų | 68.3 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -47.5 | -174.3 | -173.8 | 57.7 | 0 | 0 | 0 | 113 | A137 E138 S155 | A137-L157 HydrophobicContact CB-CD2 4.1Å; E138-L157 HydrophobicContact CG-CD2 4.12Å; S155-L157 PolarHBondContact OG-N 2.84Å |
| 158 | Y | 98.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.4 | -168.6 | -57.9 | -59.7 | 0 | 0 | 0 | 114.4 | M123 N124 D125 E138 S155 Y167 | M123-Y158 WeakPolarHBondContact O-CD2 3.22Å; M123-Y158 VanDerWaalsContact O-CE2 3.27Å; M123-Y158 WeakPolarHBondContact O-CE2 3.45Å; N124-Y158 WeakPolarHBondContact O-CD2 3.45Å; D125-Y158 HydrophobicContact CB-CD1 4.32Å; D125-Y158 HydrophobicContact CB-CE1 3.75Å; D125-Y158 HydrophobicContact CB-CE2 4.43Å; E138-Y158 HydrophobicContact CG-CE2 3.85Å; E138-Y158 PolarHBondContact OE1-OH 3.28Å; S155-Y158 PolarHBondContact OG-N 2.74Å; Y158-Y167 VanDerWaalsContact CB-CD2 3.49Å; Y158-Y167 HydrophobicContact CG-CD2 4.47Å; Y158-Y167 PolarHBondContact O-N 3.19Å |
| 159 | K | 97.4 | Very high | 95 | Very high | 81 Ų | 81 | 56 Ų | 56 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 162.4 | 177.7 | 56.3 | 172.5 | -179.7 | -178.7 | 0 | 110.2 | G161 D162 T165 R166 | K159-G161 WeakPolarHBondContact CD-O 3.24Å; K159-G161 WeakPolarHBondContact CE-O 3.47Å; K159-G161 WeakPolarHBondContact CG-O 3.27Å; K159-G161 PolarHBondContact O-N 2.9Å; K159-D162 WeakPolarHBondContact CE-O 3.43Å; K159-D162 PolarHBondContact NZ-O 3.06Å; K159-T165 WeakPolarHBondContact CA-O 3.25Å; K159-R166 HydrophobicContact CB-CG 4.25Å |
| 160 | H | 95.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -71.1 | 94.8 | 174.7 | -75.6 | -70.6 | 0 | 0 | 0 | 111.3 | G164 T165 Y167 T181 | H160-G164 WeakPolarHBondContact O-CA 3.35Å; H160-G164 PolarHBondContact O-N 3.14Å; H160-T165 PolarHBondContact CD2-O 3.46Å; H160-T165 PolarHBondContact CD2-OG1 3.3Å; H160-T165 PolarHBondContact N-O 3.23Å; H160-Y167 AromaticContact CD2-CD1 3.93Å; H160-Y167 AromaticContact CD2-CE1 3.48Å; H160-Y167 VanDerWaalsContact CD2-CE1 3.48Å; H160-Y167 WeakPolarHBondContact CD2-CE1 3.38Å; H160-Y167 AromaticContact CE1-CE1 3.65Å; H160-Y167 AromaticContact CG-CE1 3.8Å; H160-Y167 AromaticContact ND1-CE1 3.9Å; H160-Y167 AromaticContact NE2-CD1 3.89Å; H160-Y167 AromaticContact NE2-CE1 3.39Å; H160-Y167 WeakPolarHBondContact NE2-CE1 3.06Å; H160-T181 PolarHBondContact NE2-O 3.08Å |
| 161 | G | 91 | Very high | 95.8 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 56% | 0.557 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -172.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K159 K163 | K159-G161 WeakPolarHBondContact CD-O 3.24Å; K159-G161 WeakPolarHBondContact CE-O 3.47Å; K159-G161 WeakPolarHBondContact CG-O 3.27Å; K159-G161 PolarHBondContact O-N 2.9Å; G161-K163 PolarHBondContact O-N 3.16Å |
| 162 | D | 83.2 | Confident | 95.8 | Very high | 146 Ų | 146 | 46.5 Ų | 46.5 | 78% | 0.781 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -31 | -170.8 | -66.1 | -34.8 | 0 | 0 | 0 | 114.2 | K159 | K159-D162 WeakPolarHBondContact CE-O 3.43Å; K159-D162 PolarHBondContact NZ-O 3.06Å |
| 163 | K | 83.3 | Confident | 95.8 | Very high | 211 Ų | 211 | 55.1 Ų | 55.1 | 92% | 0.917 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 1.1 | -176.8 | -64.9 | -175.1 | -179.3 | 179.4 | 0 | 114.2 | G161 | G161-K163 PolarHBondContact O-N 3.16Š|
| 164 | G | 88 | Confident | 95.8 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -90.2 | -174.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H160 | H160-G164 WeakPolarHBondContact O-CA 3.35Å; H160-G164 PolarHBondContact O-N 3.14Å |
| 165 | T | 95 | Very high | 95.8 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 141.4 | -172.9 | 56 | 0 | 0 | 0 | 0 | 111.4 | K159 H160 R184 | K159-T165 WeakPolarHBondContact CA-O 3.25Å; H160-T165 PolarHBondContact CD2-O 3.46Å; H160-T165 PolarHBondContact CD2-OG1 3.3Å; H160-T165 PolarHBondContact N-O 3.23Å; T165-R184 PolarHBondContact OG1-NE 3.36Å |
| 166 | R | 97.4 | Very high | 95.8 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 159.4 | 174.6 | -62.1 | -165.3 | 172.6 | -101.2 | -5.2 | 112.3 | R142 S154 S155 N156 K159 F168 | R142-R166 VanDerWaalsContact CD-CZ 3.43Å; S154-R166 WeakPolarHBondContact OG-CD 3.49Å; S155-R166 PolarHBondContact O-NH1 3.47Å; N156-R166 PolarHBondContact O-NH1 3.17Å; K159-R166 HydrophobicContact CB-CG 4.25Å; R166-F168 HydrophobicContact CB-CE2 4.22Å; R166-F168 WeakPolarHBondContact O-CD2 3.28Å; R166-F168 VanDerWaalsContact O-CE2 3.22Å; R166-F168 WeakPolarHBondContact O-CE2 3.48Å |
| 167 | Y | 98.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 11% | 0.114 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.2 | 170.2 | -60.8 | -4.2 | 0 | 0 | 0 | 109.4 | M123 S154 S155 Y158 H160 G180 T181 | M123-Y167 WeakPolarHBondContact SD-CB 3.36Å; M123-Y167 HydrophobicContact SD-CD2 4.41Å; M123-Y167 HydrophobicContact SD-CG 4.49Å; S154-Y167 CarbonylContact C-O 3.52Å; S154-Y167 WeakPolarHBondContact CA-O 3.2Å; S154-Y167 VanDerWaalsContact CB-O 3.24Å; S154-Y167 WeakPolarHBondContact CB-O 3.17Å; S155-Y167 PolarHBondContact N-O 2.93Å; Y158-Y167 VanDerWaalsContact CB-CD2 3.49Å; Y158-Y167 HydrophobicContact CG-CD2 4.47Å; Y158-Y167 PolarHBondContact O-N 3.19Å; H160-Y167 AromaticContact CD2-CD1 3.93Å; H160-Y167 AromaticContact CD2-CE1 3.48Å; H160-Y167 VanDerWaalsContact CD2-CE1 3.48Å; H160-Y167 WeakPolarHBondContact CD2-CE1 3.38Å; H160-Y167 AromaticContact CE1-CE1 3.65Å; H160-Y167 AromaticContact CG-CE1 3.8Å; H160-Y167 AromaticContact ND1-CE1 3.9Å; H160-Y167 AromaticContact NE2-CD1 3.89Å; H160-Y167 AromaticContact NE2-CE1 3.39Å; H160-Y167 WeakPolarHBondContact NE2-CE1 3.06Å; Y167-G180 WeakPolarHBondContact CA-O 3.32Å; Y167-T181 HydrophobicContact CD1-CG2 4.5Å; Y167-T181 HydrophobicContact CD2-CG2 4.02Å; Y167-T181 HydrophobicContact CE1-CG2 4.14Å; Y167-T181 HydrophobicContact CE2-CG2 3.6Å; Y167-T181 HydrophobicContact CG-CG2 4.47Å |
| 168 | F | 98.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139 | -173.2 | -73.5 | -95.6 | 0 | 0 | 0 | 111.5 | M123 T152 Y153 R166 A170 G180 R185 T190 | M123-F168 VanDerWaalsContact CE-C 3.46Å; M123-F168 WeakPolarHBondContact CE-O 3.41Å; T152-F168 HydrophobicContact CG2-CE1 4.47Å; Y153-F168 WeakPolarHBondContact O-CA 3.31Å; R166-F168 HydrophobicContact CB-CE2 4.22Å; R166-F168 WeakPolarHBondContact O-CD2 3.28Å; R166-F168 VanDerWaalsContact O-CE2 3.22Å; R166-F168 WeakPolarHBondContact O-CE2 3.48Å; F168-A170 PolarHBondContact O-N 2.86Å; F168-G180 PolarHBondContact N-O 3.31Å; F168-G180 VanDerWaalsContact O-CA 3.3Å; F168-G180 WeakPolarHBondContact O-CA 3.5Å; F168-R185 HydrophobicContact CE1-CB 4.07Å; F168-R185 HydrophobicContact CE2-CB 4.42Å; F168-R185 HydrophobicContact CZ-CB 3.78Å; F168-T190 HydrophobicContact CB-CG2 3.68Å; F168-T190 HydrophobicContact CG-CG2 4.2Å |
| 169 | V | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -59.5 | 133.5 | 164.4 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | L79 L121 M123 L129 F141 Y153 F192 | L79-V169 HydrophobicContact CD1-CG1 3.89Å; L121-V169 HydrophobicContact CD2-CG1 4.25Å; L121-V169 HydrophobicContact CD2-CG2 4.22Å; M123-V169 HydrophobicContact CE-CG2 4.09Å; L129-V169 HydrophobicContact CD1-CG1 3.88Å; L129-V169 HydrophobicContact CD2-CG1 4.44Å; L129-V169 HydrophobicContact CD2-CG2 4.14Å; F141-V169 HydrophobicContact CD1-CG2 3.71Å; F141-V169 HydrophobicContact CE1-CG2 3.58Å; F141-V169 HydrophobicContact CG-CG2 4.46Å; F141-V169 HydrophobicContact CZ-CG2 4.24Å; Y153-V169 PolarHBondContact O-N 3.13Å; V169-F192 HydrophobicContact CB-CE2 4.41Å; V169-F192 HydrophobicContact CG1-CE2 4.02Å; V169-F192 HydrophobicContact CG1-CZ 3.96Å; V169-F192 WeakPolarHBondContact O-CE2 3.31Å | ||
| 170 | A | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -156.7 | 148.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F168 R178 S183 F189 T190 | F168-A170 PolarHBondContact O-N 2.86Å; A170-R178 HydrophobicContact CB-CB 3.8Å; A170-R178 HydrophobicContact CB-CG 4.32Å; A170-R178 PolarHBondContact O-N 2.96Å; A170-S183 WeakPolarHBondContact CB-OG 3.46Å; A170-F189 WeakPolarHBondContact CA-O 3.45Å; A170-F189 HydrophobicContact CB-CB 4.47Å; A170-F189 HydrophobicContact CB-CD2 3.77Å; A170-F189 WeakPolarHBondContact CB-O 3.33Å; A170-T190 HydrophobicContact CB-CG2 4.24Å | ||
| 171 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -120.9 | 131.5 | 170.7 | -63.8 | 179.6 | 0 | 0 | 0 | 110 | C73 T75 F77 L79 T176 F189 F192 | C73-L171 HydrophobicContact CB-CB 4.24Å; C73-L171 HydrophobicContact CB-CD1 4.01Å; C73-L171 HydrophobicContact CB-CG 4.46Å; T75-L171 WeakPolarHBondContact CG2-O 3.34Å; T75-L171 PolarHBondContact OG1-O 3.5Å; F77-L171 HydrophobicContact CB-CD1 4.07Å; L79-L171 HydrophobicContact CB-CD1 4.22Å; L171-T176 WeakPolarHBondContact CA-O 3.37Å; L171-F189 PolarHBondContact N-O 3.13Å; L171-F189 WeakPolarHBondContact O-CB 3.35Å; L171-F192 HydrophobicContact CD1-CE1 4.06Å; L171-F192 HydrophobicContact CG-CE1 4.11Å; L171-F192 HydrophobicContact CG-CZ 4.08Å |
| 172 | N | 98.7 | Very high | 96.4 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | trans | -65.1 | 172.1 | 175 | -72 | -45.7 | 0 | 0 | 0 | 111.7 | T75 D174 G175 T176 R178 | T75-N172 PolarHBondContact OG1-O 2.78Å; N172-D174 WeakPolarHBondContact CB-OD1 3.5Å; N172-D174 PolarHBondContact O-N 3.44Å; N172-G175 PolarHBondContact O-N 2.78Å; N172-G175 VanDerWaalsContact O-N 3.11Å; N172-T176 WeakPolarHBondContact CB-OG1 3.04Å; N172-T176 PolarHBondContact N-O 3.4Å; N172-T176 PolarHBondContact ND2-OG1 3.14Å; N172-R178 VanDerWaalsContact OD1-CD 3.31Å; N172-R178 WeakPolarHBondContact OD1-CD 3.48Å; N172-R178 WeakPolarHBondContact OD1-CG 3.26Å; N172-R178 PolarHBondContact OD1-NH1 3.02Å | ||
| 173 | K | 98.4 | Very high | 97.1 | Very high | 180 Ų | 180 | 52.5 Ų | 52.5 | 78% | 0.783 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.7 | 178.3 | -68 | -176.8 | 179.8 | 178.4 | 0 | 113.8 | T75 F77 | T75-K173 HydrophobicContact CG2-CG 4.33Å; F77-K173 VanDerWaalsContact CE2-O 3.22Å; F77-K173 WeakPolarHBondContact CE2-O 3.41Å; F77-K173 WeakPolarHBondContact CZ-O 3.37Å |
| 174 | D | 98.4 | Very high | 97.8 | Very high | 108 Ų | 108 | 46 Ų | 46 | 58% | 0.578 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.5 | 173.7 | 61.2 | 3 | 0 | 0 | 0 | 112.6 | F77 N172 T176 | F77-D174 VanDerWaalsContact CZ-C 3.48Å; N172-D174 WeakPolarHBondContact CB-OD1 3.5Å; N172-D174 PolarHBondContact O-N 3.44Å; D174-T176 WeakPolarHBondContact OD1-CB 3.31Å; D174-T176 PolarHBondContact OD1-N 2.72Å; D174-T176 PolarHBondContact OD1-OG1 3.3Å; D174-T176 PolarHBondContact OD2-OG1 3.32Å |
| 175 | G | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 89.3 | -4.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G89 N172 | G89-G175 VanDerWaalsContact CA-O 3.24Å; G89-G175 WeakPolarHBondContact CA-O 3.4Å; G89-G175 PolarHBondContact N-O 2.85Å; N172-G175 PolarHBondContact O-N 2.78Å; N172-G175 VanDerWaalsContact O-N 3.11Å |
| 176 | T | 98.8 | Very high | 98.2 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -70.9 | 148.6 | 177.5 | 60 | 0 | 0 | 0 | 0 | 111.8 | L171 N172 D174 R178 | L171-T176 WeakPolarHBondContact CA-O 3.37Å; N172-T176 WeakPolarHBondContact CB-OG1 3.04Å; N172-T176 PolarHBondContact N-O 3.4Å; N172-T176 PolarHBondContact ND2-OG1 3.14Å; D174-T176 WeakPolarHBondContact OD1-CB 3.31Å; D174-T176 PolarHBondContact OD1-N 2.72Å; D174-T176 PolarHBondContact OD1-OG1 3.3Å; D174-T176 PolarHBondContact OD2-OG1 3.32Å; T176-R178 PolarHBondContact O-N 2.94Å |
| 177 | A | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 31% | 0.306 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -60.8 | 133.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V87 L129 | V87-A177 WeakPolarHBondContact O-CB 3.41Å; L129-A177 HydrophobicContact CB-CB 4.36Å; L129-A177 HydrophobicContact CD1-CB 4.32Å |
| 178 | R | 98.7 | Very high | 98 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 138.7 | -178.5 | -176.2 | 180 | -178.5 | 77.3 | 4.2 | 110.6 | A170 N172 T176 G180 S183 F189 | A170-R178 HydrophobicContact CB-CB 3.8Å; A170-R178 HydrophobicContact CB-CG 4.32Å; A170-R178 PolarHBondContact O-N 2.96Å; N172-R178 VanDerWaalsContact OD1-CD 3.31Å; N172-R178 WeakPolarHBondContact OD1-CD 3.48Å; N172-R178 WeakPolarHBondContact OD1-CG 3.26Å; N172-R178 PolarHBondContact OD1-NH1 3.02Å; T176-R178 PolarHBondContact O-N 2.94Å; R178-G180 PolarHBondContact O-N 3.19Å; R178-S183 WeakPolarHBondContact CD-OG 3.37Å; R178-F189 VanDerWaalsContact NE-CZ 3.28Å |
| 179 | D | 98.4 | Very high | 98 | Very high | 42 Ų | 42 | 58.4 Ų | 58.4 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -51 | 117.7 | 170.5 | 177.9 | -13.1 | 0 | 0 | 0 | 111.7 | T181 K182 S183 | D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 VanDerWaalsContact CG-OG1 3.22Å; D179-T181 PolarHBondContact O-N 2.93Å; D179-T181 WeakPolarHBondContact OD1-CA 3.48Å; D179-T181 VanDerWaalsContact OD1-CB 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.47Å; D179-T181 VanDerWaalsContact OD1-CG2 3.31Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.41Å; D179-T181 PolarHBondContact OD1-N 3.17Å; D179-T181 PolarHBondContact OD1-OG1 3.19Å; D179-T181 PolarHBondContact OD2-OG1 3.27Å; D179-K182 HydrophobicContact CB-CD 4.43Å; D179-K182 PolarHBondContact O-N 3.14Å; D179-K182 WeakPolarHBondContact OD2-CE 3.34Å; D179-K182 IonicContact OD2-NZ 3.98Å; D179-K182 PolarHBondContact OD2-NZ 3.44Å; D179-S183 PolarHBondContact O-OG 3.39Å |
| 180 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -66 | -26.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G127 Y167 F168 R178 K182 S183 | G127-G180 PolarHBondContact O-N 3.23Å; Y167-G180 WeakPolarHBondContact CA-O 3.32Å; F168-G180 PolarHBondContact N-O 3.31Å; F168-G180 VanDerWaalsContact O-CA 3.3Å; F168-G180 WeakPolarHBondContact O-CA 3.5Å; R178-G180 PolarHBondContact O-N 3.19Å; G180-K182 PolarHBondContact O-N 2.95Å; G180-S183 PolarHBondContact O-N 2.92Å |
| 181 | T | 98.3 | Very high | 98 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 17% | 0.172 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -65.9 | -28.7 | 176.1 | 74.8 | 0 | 0 | 0 | 0 | 111.3 | K126 H160 Y167 D179 R184 | K126-T181 VanDerWaalsContact O-CG2 3.23Å; K126-T181 WeakPolarHBondContact O-CG2 3.4Å; H160-T181 PolarHBondContact NE2-O 3.08Å; Y167-T181 HydrophobicContact CD1-CG2 4.5Å; Y167-T181 HydrophobicContact CD2-CG2 4.02Å; Y167-T181 HydrophobicContact CE1-CG2 4.14Å; Y167-T181 HydrophobicContact CE2-CG2 3.6Å; Y167-T181 HydrophobicContact CG-CG2 4.47Å; D179-T181 VanDerWaalsContact C-N 3.27Å; D179-T181 VanDerWaalsContact CG-OG1 3.22Å; D179-T181 PolarHBondContact O-N 2.93Å; D179-T181 WeakPolarHBondContact OD1-CA 3.48Å; D179-T181 VanDerWaalsContact OD1-CB 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.47Å; D179-T181 VanDerWaalsContact OD1-CG2 3.31Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.41Å; D179-T181 PolarHBondContact OD1-N 3.17Å; D179-T181 PolarHBondContact OD1-OG1 3.19Å; D179-T181 PolarHBondContact OD2-OG1 3.27Å; T181-R184 PolarHBondContact O-NH1 2.81Å |
| 182 | K | 97.9 | Very high | 98 | Very high | 128 Ų | 128 | 59.7 Ų | 59.7 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -99.1 | 10.2 | -178.4 | -63.5 | 179.4 | -176.6 | 113.4 | 0 | 113.4 | D179 G180 | D179-K182 HydrophobicContact CB-CD 4.43Å; D179-K182 PolarHBondContact O-N 3.14Å; D179-K182 WeakPolarHBondContact OD2-CE 3.34Å; D179-K182 IonicContact OD2-NZ 3.98Å; D179-K182 PolarHBondContact OD2-NZ 3.44Å; G180-K182 PolarHBondContact O-N 2.95Å |
| 183 | S | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -111.3 | 138.8 | -175.9 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | A170 R178 D179 G180 | A170-S183 WeakPolarHBondContact CB-OG 3.46Å; R178-S183 WeakPolarHBondContact CD-OG 3.37Å; D179-S183 PolarHBondContact O-OG 3.39Å; G180-S183 PolarHBondContact O-N 2.92Å | ||
| 184 | R | 97.1 | Very high | 97.9 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | trans | -132.1 | 145.9 | -176 | -59.3 | -67.4 | 179.2 | -86.1 | 0.4 | 110.5 | T165 T181 H186 Q187 T190 | T165-R184 PolarHBondContact OG1-NE 3.36Å; T181-R184 PolarHBondContact O-NH1 2.81Å; R184-H186 VanDerWaalsContact C-N 3.31Å; R184-H186 PolarHBondContact O-N 3.12Å; R184-H186 VanDerWaalsContact O-N 3.13Å; R184-Q187 HydrophobicContact CB-CG 4.14Å; R184-Q187 VanDerWaalsContact O-CB 3.32Å; R184-Q187 WeakPolarHBondContact O-CB 3.38Å; R184-Q187 PolarHBondContact O-N 3.4Å; R184-T190 VanDerWaalsContact O-CG2 3.31Å; R184-T190 WeakPolarHBondContact O-CG2 3.19Å; R184-T190 PolarHBondContact O-OG1 2.93Å | ||
| 185 | R | 96.3 | Very high | 97.8 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | -47.5 | -178.2 | 177.1 | 179.7 | -63.9 | -69 | -13.8 | 115.1 | E146 T152 F168 Q187 T190 H191 | E146-R185 WeakPolarHBondContact OE2-CD 3.3Å; E146-R185 WeakPolarHBondContact OE2-CG 3.48Å; E146-R185 IonicContact OE2-CZ 2.72Å; E146-R185 IonicContact OE2-NH1 3.63Å; E146-R185 PolarHBondContact OE2-NH1 3.44Å; T152-R185 HydrophobicContact CG2-CG 4.33Å; T152-R185 PolarHBondContact OG1-NH1 2.91Å; F168-R185 HydrophobicContact CE1-CB 4.07Å; F168-R185 HydrophobicContact CE2-CB 4.42Å; F168-R185 HydrophobicContact CZ-CB 3.78Å; R185-Q187 PolarHBondContact O-N 3.13Å; R185-T190 PolarHBondContact O-OG1 2.99Å; R185-T190 VanDerWaalsContact O-OG1 3.11Å; R185-H191 PolarHBondContact O-CD2 3.49Å; R185-H191 PolarHBondContact O-NE2 2.73Å |
| 186 | H | 95.2 | Very high | 97.7 | Very high | 145 Ų | 145 | 56.7 Ų | 56.7 | 67% | 0.671 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.7 | -174.2 | 65.2 | -93.7 | 0 | 0 | 0 | 113.3 | R184 | R184-H186 VanDerWaalsContact C-N 3.31Å; R184-H186 PolarHBondContact O-N 3.12Å; R184-H186 VanDerWaalsContact O-N 3.13Å |
| 187 | Q | 96.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -85.9 | 131.5 | -175.2 | -61.4 | 174.5 | -51.5 | 0 | 0 | 110.5 | R184 R185 F189 T190 | R184-Q187 HydrophobicContact CB-CG 4.14Å; R184-Q187 VanDerWaalsContact O-CB 3.32Å; R184-Q187 WeakPolarHBondContact O-CB 3.38Å; R184-Q187 PolarHBondContact O-N 3.4Å; R185-Q187 PolarHBondContact O-N 3.13Å; Q187-F189 HydrophobicContact CB-CD1 4.29Å; Q187-F189 HydrophobicContact CB-CD2 4Å; Q187-F189 HydrophobicContact CB-CE1 3.87Å; Q187-F189 HydrophobicContact CB-CE2 3.52Å; Q187-F189 HydrophobicContact CB-CG 4.37Å; Q187-F189 HydrophobicContact CB-CZ 3.49Å; Q187-F189 VanDerWaalsContact CB-CZ 3.49Å; Q187-F189 HydrophobicContact CG-CE1 4.37Å; Q187-F189 HydrophobicContact CG-CE2 4.22Å; Q187-F189 HydrophobicContact CG-CZ 3.86Å; Q187-F189 PolarHBondContact O-N 3.39Å; Q187-T190 PolarHBondContact O-N 3.27Å; Q187-T190 PolarHBondContact O-OG1 2.95Å |
| 188 | K | 96.8 | Very high | 97.4 | Very high | 148 Ų | 148 | 56 Ų | 56 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -54.2 | -32.6 | -175.2 | -66.5 | -177.1 | 178.3 | 178.5 | 0 | 114.3 | R74 T190 H191 | R74-K188 HydrophobicContact CB-CB 4.37Å; R74-K188 WeakPolarHBondContact CB-O 3.27Å; R74-K188 HydrophobicContact CG-CB 4.17Å; R74-K188 HydrophobicContact CG-CG 4.41Å; K188-T190 PolarHBondContact O-N 3.3Å; K188-H191 WeakPolarHBondContact O-CB 3.19Å; K188-H191 PolarHBondContact O-N 2.92Å; K188-H191 VanDerWaalsContact O-N 3.08Å |
| 189 | F | 98.1 | Very high | 97.1 | Very high | 34 Ų | 34 | 55 Ų | 55 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -67.8 | -11.6 | 178 | 47.9 | -114.9 | 0 | 0 | 0 | 114.4 | C73 T75 A170 L171 R178 Q187 | C73-F189 PolarHBondContact SG-O 3.42Å; T75-F189 HydrophobicContact CG2-CB 3.82Å; A170-F189 WeakPolarHBondContact CA-O 3.45Å; A170-F189 HydrophobicContact CB-CB 4.47Å; A170-F189 HydrophobicContact CB-CD2 3.77Å; A170-F189 WeakPolarHBondContact CB-O 3.33Å; L171-F189 PolarHBondContact N-O 3.13Å; L171-F189 WeakPolarHBondContact O-CB 3.35Å; R178-F189 VanDerWaalsContact NE-CZ 3.28Å; Q187-F189 HydrophobicContact CB-CD1 4.29Å; Q187-F189 HydrophobicContact CB-CD2 4Å; Q187-F189 HydrophobicContact CB-CE1 3.87Å; Q187-F189 HydrophobicContact CB-CE2 3.52Å; Q187-F189 HydrophobicContact CB-CG 4.37Å; Q187-F189 HydrophobicContact CB-CZ 3.49Å; Q187-F189 VanDerWaalsContact CB-CZ 3.49Å; Q187-F189 HydrophobicContact CG-CE1 4.37Å; Q187-F189 HydrophobicContact CG-CE2 4.22Å; Q187-F189 HydrophobicContact CG-CZ 3.86Å; Q187-F189 PolarHBondContact O-N 3.39Å |
| 190 | T | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -94.1 | -4.6 | 173.3 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | F168 A170 R184 R185 Q187 K188 F192 | F168-T190 HydrophobicContact CB-CG2 3.68Å; F168-T190 HydrophobicContact CG-CG2 4.2Å; A170-T190 HydrophobicContact CB-CG2 4.24Å; R184-T190 VanDerWaalsContact O-CG2 3.31Å; R184-T190 WeakPolarHBondContact O-CG2 3.19Å; R184-T190 PolarHBondContact O-OG1 2.93Å; R185-T190 PolarHBondContact O-OG1 2.99Å; R185-T190 VanDerWaalsContact O-OG1 3.11Å; Q187-T190 PolarHBondContact O-N 3.27Å; Q187-T190 PolarHBondContact O-OG1 2.95Å; K188-T190 PolarHBondContact O-N 3.3Å; T190-F192 WeakPolarHBondContact O-CD2 3.42Å |
| 191 | H | 98.5 | Very high | 96.7 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 13% | 0.125 | 31% | 0.313 | C | S | . | . | trans | -93.7 | 119.3 | -175 | -60.6 | 174.2 | 0 | 0 | 0 | 109.2 | C73 R74 Y150 R185 K188 | C73-H191 CarbonylContact C-O 3.54Å; C73-H191 WeakPolarHBondContact CA-O 3.48Å; R74-H191 HydrophobicContact CB-CB 3.93Å; R74-H191 PolarHBondContact N-O 2.76Å; Y150-H191 HydrophobicContact CD1-CB 3.71Å; Y150-H191 HydrophobicContact CG-CB 4Å; R185-H191 PolarHBondContact O-CD2 3.49Å; R185-H191 PolarHBondContact O-NE2 2.73Å; K188-H191 WeakPolarHBondContact O-CB 3.19Å; K188-H191 PolarHBondContact O-N 2.92Å; K188-H191 VanDerWaalsContact O-N 3.08Å | ||
| 192 | F | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.6 | -179.7 | -71 | -93 | 0 | 0 | 0 | 111.5 | L71 Y72 C73 L79 Y150 N151 Y153 V169 L171 T190 | L71-F192 HydrophobicContact CD1-CB 3.78Å; L71-F192 HydrophobicContact CD2-CB 4.33Å; L71-F192 HydrophobicContact CD2-CD1 4.09Å; L71-F192 HydrophobicContact CD2-CG 4.27Å; L71-F192 HydrophobicContact CG-CB 3.78Å; L71-F192 HydrophobicContact CG-CD1 3.7Å; L71-F192 HydrophobicContact CG-CG 4Å; Y72-F192 CarbonylContact O-C 3.57Å; Y72-F192 VanDerWaalsContact O-CA 3.32Å; Y72-F192 WeakPolarHBondContact O-CA 3.47Å; C73-F192 HydrophobicContact CB-CD1 3.69Å; C73-F192 HydrophobicContact CB-CE1 3.44Å; C73-F192 VanDerWaalsContact CB-CE1 3.44Å; C73-F192 HydrophobicContact CB-CG 4.5Å; C73-F192 HydrophobicContact CB-CZ 4.02Å; L79-F192 HydrophobicContact CB-CE1 4.39Å; L79-F192 HydrophobicContact CD1-CE1 4.3Å; Y150-F192 VanDerWaalsContact CD1-C 3.48Å; N151-F192 PolarHBondContact N-O 3.43Å; N151-F192 PolarHBondContact O-N 2.75Å; Y153-F192 HydrophobicContact CD2-CB 4.13Å; Y153-F192 HydrophobicContact CD2-CD2 4.18Å; Y153-F192 HydrophobicContact CD2-CG 4.39Å; Y153-F192 HydrophobicContact CE2-CB 3.71Å; Y153-F192 HydrophobicContact CE2-CG 4.4Å; V169-F192 HydrophobicContact CB-CE2 4.41Å; V169-F192 HydrophobicContact CG1-CE2 4.02Å; V169-F192 HydrophobicContact CG1-CZ 3.96Å; V169-F192 WeakPolarHBondContact O-CE2 3.31Å; L171-F192 HydrophobicContact CD1-CE1 4.06Å; L171-F192 HydrophobicContact CG-CE1 4.11Å; L171-F192 HydrophobicContact CG-CZ 4.08Å; T190-F192 WeakPolarHBondContact O-CD2 3.42Å |
| 193 | L | 98 | Very high | 96.1 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.5 | 175.6 | 178.2 | 65.5 | 0 | 0 | 0 | 108.8 | Y72 W149 Y150 R195 | Y72-L193 HydrophobicContact CD1-CB 4.41Å; Y72-L193 PolarHBondContact N-O 3.08Å; Y72-L193 PolarHBondContact O-N 2.84Å; W149-L193 HydrophobicContact CB-CD1 4.32Å; W149-L193 WeakPolarHBondContact O-CD1 3.5Å; Y150-L193 HydrophobicContact CD1-CB 3.94Å; Y150-L193 HydrophobicContact CE1-CB 3.63Å; L193-R195 HydrophobicContact CD2-CG 4.24Å; L193-R195 HydrophobicContact CG-CG 4.19Å; L193-R195 PolarHBondContact O-N 2.73Å |
| 194 | P | 97 | Very high | 95.8 | Very high | 40 Ų | 40 | 64.6 Ų | 64.6 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 118.5 | 167.9 | -20 | 33.4 | 0 | 0 | 0 | 109.7 | R69 L71 Y153 | R69-P194 HydrophobicContact CG-CB 4.38Å; L71-P194 HydrophobicContact CD1-CG 4.21Å; Y153-P194 WeakPolarHBondContact OH-CG 3.32Å |
| 195 | R | 97.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 62 Ų | 62 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 147.7 | 178.4 | -67.7 | -175.9 | 64.6 | -146.4 | -15.6 | 110.5 | R69 Q70 H78 D93 L193 | R69-R195 CarbonylContact C-O 3.54Å; R69-R195 VanDerWaalsContact CA-O 3.28Å; R69-R195 WeakPolarHBondContact CA-O 3.23Å; R69-R195 WeakPolarHBondContact CD-O 3.24Å; Q70-R195 HydrophobicContact CB-CB 4.36Å; Q70-R195 PolarHBondContact N-O 2.91Å; Q70-R195 PolarHBondContact O-N 2.9Å; H78-R195 PolarHBondContact CE1-NH1 3.27Å; H78-R195 PolarHBondContact NE2-NH1 2.81Å; D93-R195 IonicContact OD1-CZ 3.2Å; D93-R195 IonicContact OD1-NH1 2.73Å; D93-R195 PolarHBondContact OD1-NH1 3.34Å; D93-R195 IonicContact OD1-NH2 2.97Å; D93-R195 PolarHBondContact OD1-NH2 2.88Å; D93-R195 IonicContact OD2-NH2 3.96Å; L193-R195 HydrophobicContact CD2-CG 4.24Å; L193-R195 HydrophobicContact CG-CG 4.19Å; L193-R195 PolarHBondContact O-N 2.73Å |
| 196 | P | 96.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 58.9 Ų | 58.9 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | trans | -64 | 160.8 | 175.5 | 28.6 | -35.1 | 0 | 0 | 0 | 111.6 | Q70 | Q70-P196 PolarHBondContact NE2-O 3.01Å; Q70-P196 VanDerWaalsContact NE2-O 3.12Å | ||
| 197 | V | 96.8 | Very high | 94 | Very high | 22 Ų | 22 | 58.1 Ų | 58.1 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | trans | -114.9 | 125.9 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | R68 Q70 I99 P199 V202 Y206 | R68-V197 HydrophobicContact CB-CG2 4.3Å; Q70-V197 HydrophobicContact CG-CG2 3.94Å; I99-V197 HydrophobicContact CD1-CG1 3.89Å; I99-V197 HydrophobicContact CD1-CG2 4.08Å; I99-V197 HydrophobicContact CG2-CG1 4.17Å; I99-V197 HydrophobicContact CG2-CG2 4.18Å; V197-P199 WeakPolarHBondContact O-CD 3.48Å; V197-V202 HydrophobicContact CG1-CG2 3.87Å; V197-Y206 HydrophobicContact CG1-CE2 4.3Å; V197-Y206 WeakPolarHBondContact CG1-OH 3.49Å | ||
| 198 | D | 94.7 | Very high | 92.5 | Very high | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | trans | -88.2 | 112.5 | 169.4 | -177.5 | -5.8 | 0 | 0 | 0 | 109 | H94 D200 R201 | H94-D198 PolarHBondContact NE2-N 3.46Å; D198-D200 PolarHBondContact O-N 3.31Å; D198-D200 PolarHBondContact OD1-N 3.25Å; D198-R201 HydrophobicContact CB-CB 4.47Å; D198-R201 HydrophobicContact CB-CG 4.15Å; D198-R201 PolarHBondContact O-N 3.45Å | ||
| 199 | P | 91.8 | Very high | 91 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -58.1 | -32 | -178.4 | -24.9 | 35.7 | 0 | 0 | 0 | 114 | V197 R201 V202 Y206 | V197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-R201 PolarHBondContact O-N 2.86Å; P199-V202 CarbonylContact O-C 3.35Å; P199-V202 PolarHBondContact O-N 3.27Å; P199-V202 VanDerWaalsContact O-N 3.17Å; P199-Y206 HydrophobicContact CB-CD1 4.03Å; P199-Y206 HydrophobicContact CB-CD2 4.21Å; P199-Y206 HydrophobicContact CB-CE1 4.03Å; P199-Y206 HydrophobicContact CB-CE2 4.28Å; P199-Y206 HydrophobicContact CB-CG 4.1Å; P199-Y206 HydrophobicContact CG-CD1 4.36Å; P199-Y206 HydrophobicContact CG-CE1 3.94Å |
| 200 | D | 92.4 | Very high | 89.3 | Confident | 136 Ų | 136 | 63.3 Ų | 63.3 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -68.2 | -19.5 | -176.9 | -65.7 | -22.8 | 0 | 0 | 0 | 112.2 | D198 | D198-D200 PolarHBondContact O-N 3.31Å; D198-D200 PolarHBondContact OD1-N 3.25Å |
| 201 | R | 95.2 | Very high | 87.2 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 47% | 0.468 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -89.2 | -13.4 | 178.9 | -65.3 | -172.5 | 61 | -170.7 | -11 | 114.1 | D93 H94 D198 P199 | D93-R201 PolarHBondContact O-NH2 3.19Å; D93-R201 VanDerWaalsContact O-NH2 3.17Å; D93-R201 IonicContact OD2-CZ 3.18Å; D93-R201 VanDerWaalsContact OD2-CZ 3.26Å; D93-R201 IonicContact OD2-NH1 2.74Å; D93-R201 PolarHBondContact OD2-NH1 2.88Å; D93-R201 IonicContact OD2-NH2 2.78Å; D93-R201 PolarHBondContact OD2-NH2 2.5Å; D93-R201 VanDerWaalsContact OD2-NH2 3.12Å; H94-R201 HydrophobicContact CB-CB 4.09Å; H94-R201 PolarHBondContact CE1-NH1 3.17Å; H94-R201 PolarHBondContact ND1-NH1 3.11Å; H94-R201 VanDerWaalsContact ND1-NH1 3.12Å; D198-R201 HydrophobicContact CB-CB 4.47Å; D198-R201 HydrophobicContact CB-CG 4.15Å; D198-R201 PolarHBondContact O-N 3.45Å; P199-R201 PolarHBondContact O-N 2.86Å |
| 202 | V | 94.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -139 | 52.7 | 179 | -75 | 0 | 0 | 0 | 0 | 110.5 | H94 I99 V197 P199 E204 L205 Y206 | H94-V202 HydrophobicContact CB-CG1 4.13Å; I99-V202 HydrophobicContact CD1-CG1 4.25Å; I99-V202 HydrophobicContact CD1-CG2 4.44Å; I99-V202 HydrophobicContact CG1-CB 4.48Å; I99-V202 HydrophobicContact CG1-CG1 4.04Å; I99-V202 HydrophobicContact CG1-CG2 4.25Å; V197-V202 HydrophobicContact CG1-CG2 3.87Å; P199-V202 CarbonylContact O-C 3.35Å; P199-V202 PolarHBondContact O-N 3.27Å; P199-V202 VanDerWaalsContact O-N 3.17Å; V202-E204 PolarHBondContact O-N 3.16Å; V202-E204 VanDerWaalsContact O-N 3.11Å; V202-L205 HydrophobicContact CB-CD1 4.21Å; V202-L205 HydrophobicContact CB-CG 4.39Å; V202-L205 PolarHBondContact O-N 2.87Å; V202-Y206 HydrophobicContact CG2-CD2 4.2Å; V202-Y206 HydrophobicContact CG2-CE2 3.77Å; V202-Y206 WeakPolarHBondContact O-CD2 3.46Å |
| 203 | P | 91.3 | Very high | 81.8 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 40% | 0.403 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -57.8 | -34.1 | -169.9 | 24.4 | -35 | 0 | 0 | 0 | 112.3 | L205 Y206 K207 | P203-L205 PolarHBondContact O-N 3.48Å; P203-L205 VanDerWaalsContact O-N 3.14Å; P203-Y206 PolarHBondContact O-N 2.68Å; P203-K207 WeakPolarHBondContact O-CG 3.46Å; P203-K207 PolarHBondContact O-N 3.17Å; P203-K207 VanDerWaalsContact O-N 3.13Å |
| 204 | E | 90.3 | Very high | 81 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -54.7 | -29.9 | 177.1 | 65.2 | -78.3 | -177.3 | 0 | 0 | 114.4 | V202 Y206 | V202-E204 PolarHBondContact O-N 3.16Å; V202-E204 VanDerWaalsContact O-N 3.11Å; E204-Y206 VanDerWaalsContact C-N 3.29Å; E204-Y206 PolarHBondContact O-N 3.12Å |
| 205 | L | 89.1 | Confident | 80.1 | Confident | 19 Ų | 19 | 85.8 Ų | 85.8 | 10% | 0.099 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -85.1 | -4.6 | 179.7 | -55.9 | -176.1 | 0 | 0 | 0 | 113.3 | R68 R96 I99 V115 D116 V202 P203 | R68-L205 PolarHBondContact NH1-O 3.45Å; R68-L205 PolarHBondContact NH2-O 3.12Å; R96-L205 HydrophobicContact CG-CD2 4.42Å; I99-L205 HydrophobicContact CB-CD1 3.63Å; I99-L205 HydrophobicContact CG1-CD1 3.58Å; I99-L205 HydrophobicContact CG2-CD1 4Å; V115-L205 HydrophobicContact CG1-CB 4.18Å; V115-L205 HydrophobicContact CG1-CD1 4.36Å; V115-L205 HydrophobicContact CG1-CD2 4.47Å; D116-L205 HydrophobicContact CB-CD2 3.72Å; D116-L205 VanDerWaalsContact OD2-CD2 3.31Å; D116-L205 WeakPolarHBondContact OD2-CD2 3.07Å; V202-L205 HydrophobicContact CB-CD1 4.21Å; V202-L205 HydrophobicContact CB-CG 4.39Å; V202-L205 PolarHBondContact O-N 2.87Å; P203-L205 PolarHBondContact O-N 3.48Å; P203-L205 VanDerWaalsContact O-N 3.14Å |
| 206 | Y | 84.8 | Confident | 79.2 | Confident | 11 Ų | 11 | 86.4 Ų | 86.4 | 4% | 0.043 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -2.2 | -176.4 | -69.2 | -102.4 | 0 | 0 | 0 | 112.9 | I65 R68 V197 P199 V202 P203 E204 E208 I209 L210 | I65-Y206 HydrophobicContact CG2-CD1 4.33Å; I65-Y206 HydrophobicContact CG2-CE1 3.67Å; R68-Y206 VanDerWaalsContact CD-OH 3.25Å; R68-Y206 WeakPolarHBondContact CD-OH 3.4Å; R68-Y206 VanDerWaalsContact NH1-CZ 3.3Å; V197-Y206 HydrophobicContact CG1-CE2 4.3Å; V197-Y206 WeakPolarHBondContact CG1-OH 3.49Å; P199-Y206 HydrophobicContact CB-CD1 4.03Å; P199-Y206 HydrophobicContact CB-CD2 4.21Å; P199-Y206 HydrophobicContact CB-CE1 4.03Å; P199-Y206 HydrophobicContact CB-CE2 4.28Å; P199-Y206 HydrophobicContact CB-CG 4.1Å; P199-Y206 HydrophobicContact CG-CD1 4.36Å; P199-Y206 HydrophobicContact CG-CE1 3.94Å; V202-Y206 HydrophobicContact CG2-CD2 4.2Å; V202-Y206 HydrophobicContact CG2-CE2 3.77Å; V202-Y206 WeakPolarHBondContact O-CD2 3.46Å; P203-Y206 PolarHBondContact O-N 2.68Å; E204-Y206 VanDerWaalsContact C-N 3.29Å; E204-Y206 PolarHBondContact O-N 3.12Å; Y206-E208 VanDerWaalsContact C-N 3.35Å; Y206-E208 PolarHBondContact O-N 3.19Å; Y206-I209 PolarHBondContact O-N 3.39Å; Y206-L210 WeakPolarHBondContact O-CG 3.22Å; Y206-L210 PolarHBondContact O-N 3.11Å |
| 207 | K | 78.2 | Confident | 78.2 | Confident | 128 Ų | 128 | 85.8 Ų | 85.8 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -55.5 | -43 | -177.9 | -74.4 | 179.1 | -178.4 | 178.1 | 0 | 113.9 | P203 I209 L210 G211 | P203-K207 WeakPolarHBondContact O-CG 3.46Å; P203-K207 PolarHBondContact O-N 3.17Å; P203-K207 VanDerWaalsContact O-N 3.13Å; K207-I209 PolarHBondContact O-N 2.97Å; K207-L210 PolarHBondContact O-N 2.73Å; K207-G211 PolarHBondContact O-N 3.46Å |
| 208 | E | 65.1 | Low | 77 | Confident | 198 Ų | 198 | 89.8 Ų | 89.8 | 93% | 0.925 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.3 | -18.3 | 180 | -64.3 | -178.7 | 176.1 | 0 | 0 | 113 | Y206 | Y206-E208 VanDerWaalsContact C-N 3.35Å; Y206-E208 PolarHBondContact O-N 3.19Å |
| 209 | I | 63.8 | Low | 75.8 | Confident | 53 Ų | 53 | 91.2 Ų | 91.2 | 27% | 0.272 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -102.8 | -36.3 | -177.6 | -59.2 | 135 | 0 | 0 | 0 | 111.2 | L61 I65 Y206 K207 G211 | L61-I209 HydrophobicContact CD1-CD1 4.43Å; L61-I209 HydrophobicContact CD1-CG1 4.39Å; L61-I209 HydrophobicContact CD2-CG1 3.86Å; L61-I209 HydrophobicContact CG-CG1 4.18Å; I65-I209 HydrophobicContact CD1-CB 4.16Å; I65-I209 HydrophobicContact CD1-CD1 3.3Å; I65-I209 HydrophobicContact CD1-CG1 3.62Å; I65-I209 HydrophobicContact CD1-CG2 3.67Å; I65-I209 HydrophobicContact CG1-CD1 3.82Å; Y206-I209 PolarHBondContact O-N 3.39Å; K207-I209 PolarHBondContact O-N 2.97Å; I209-G211 PolarHBondContact O-N 2.7Å |
| 210 | L | 62.8 | Low | 74.7 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -83.3 | 4.7 | -176.2 | -66.1 | 174.1 | 0 | 0 | 0 | 113.5 | Y206 K207 H212 | Y206-L210 WeakPolarHBondContact O-CG 3.22Å; Y206-L210 PolarHBondContact O-N 3.11Å; K207-L210 PolarHBondContact O-N 2.73Å; L210-H212 VanDerWaalsContact C-N 3.28Å; L210-H212 PolarHBondContact O-N 3.19Å; L210-H212 VanDerWaalsContact O-N 3.14Å; L210-H212 PolarHBondContact O-ND1 3.42Å |
| 211 | G | 54.7 | Low | 73.3 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 67% | 0.67 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 28.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K207 I209 S213 | K207-G211 PolarHBondContact O-N 3.46Å; I209-G211 PolarHBondContact O-N 2.7Å; G211-S213 PolarHBondContact O-N 2.97Å; G211-S213 VanDerWaalsContact O-N 3.16Å |
| 212 | H | 45.1 | Very low | 71.5 | Confident | 164 Ų | 164 | 88.4 Ų | 88.4 | 76% | 0.759 | 49% | 0.492 | S | S | * | . | trans | -82.6 | 96.5 | 174.8 | -72.8 | 58.7 | 0 | 0 | 0 | 109.2 | L210 | L210-H212 VanDerWaalsContact C-N 3.28Å; L210-H212 PolarHBondContact O-N 3.19Å; L210-H212 VanDerWaalsContact O-N 3.14Å; L210-H212 PolarHBondContact O-ND1 3.42Å | ||
| 213 | S | 38.7 | Very low | 69.4 | Low | 188 Ų | 188 | 96.4 Ų | 96.4 | 100% | 1.315 | 54% | 0.536 | S | S | * | . | trans | -71.2 | 0 | 159.5 | 66.5 | 0 | 0 | 0 | 0 | 111 | G211 | G211-S213 PolarHBondContact O-N 2.97Å; G211-S213 VanDerWaalsContact O-N 3.16Å |
Retrieved 213 of 213 residues in 945.5 ms
(Link to these results)