| 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 | 45.2 | Very low | 41.1 | Very low | 248 Ų | 248 | 148.1 Ų | 148.1 | 100% | 1.222 | 83% | 0.825 | S | S | * | * | 0 | 99 | 0 | -72.8 | 173.8 | 176.6 | 0 | 0 | 107.9 | |||||
| 2 | C | 40.1 | Very low | 41.1 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -88.6 | 134.8 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | K | 41.6 | Very low | 41 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -143.3 | 104.4 | 161.2 | -143.6 | 173 | -176.3 | 178.2 | 0 | 109 | ||||
| 4 | W | 35.3 | Very low | 40.8 | Very low | 228 Ų | 228 | 144.7 Ų | 144.7 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -89 | 139.1 | 165.9 | -60.9 | 85.2 | 0 | 0 | 0 | 107.5 | ||||
| 5 | I | 49.8 | Very low | 40.9 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -129.7 | 112.2 | 157.2 | -65.8 | -178.8 | 0 | 0 | 0 | 107.2 | ||||
| 6 | L | 43.3 | Very low | 41.2 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | trans | -81.6 | 154 | 159.9 | -94.5 | 127.9 | 0 | 0 | 0 | 109.4 | ||||
| 7 | T | 47.9 | Very low | 41.8 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.693 | 81% | 0.808 | S | S | * | * | 155.9 | 114.2 | 124.7 | 46.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 8 | N | 39.4 | Very low | 41.6 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 78.4 | 133.8 | 102.3 | -61.2 | -19.1 | 0 | 0 | 0 | 111.8 | |||||
| 9 | G | 33.9 | Very low | 41.3 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | 163.9 | 164.5 | 6.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | A | 37.7 | Very low | 41.1 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 62.4 | 150.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 11 | S | 37.9 | Very low | 41.4 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | cis | 177.1 | 149.7 | -3.3 | 41.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 12 | A | 40.9 | Very low | 41.3 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | 153.2 | 102.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | F | 40.6 | Very low | 41.6 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | 46.8 | 109.2 | 76.1 | -85.1 | -81.4 | 0 | 0 | 0 | 115.3 | |||||
| 14 | S | 38.1 | Very low | 41.9 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 169.5 | 106.1 | 133.9 | 39 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 15 | H | 41.2 | Very low | 42.2 | Very low | 173 Ų | 173 | 130 Ų | 130 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | 91.1 | 100.1 | 96.3 | -92 | -76 | 0 | 0 | 0 | 114.6 | |||||
| 16 | L | 46.9 | Very low | 41.8 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | -75.8 | 152.1 | 128.2 | -109.3 | 74.8 | 0 | 0 | 0 | 106.7 | |||||
| 17 | P | 51.5 | Low | 42 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | -156 | -177 | 59 | 39.1 | -16.9 | 0 | 0 | 0 | 116.4 | |||||
| 18 | C | 37.3 | Very low | 41.7 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 62.1 | 158.2 | 154.8 | -117.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 19 | C | 36.3 | Very low | 42 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | cis | -172.2 | 154.2 | -5.4 | -105.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 20 | C | 36.7 | Very low | 42.9 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 72% | 0.716 | 76% | 0.759 | S | S | * | * | trans | 62.2 | 119.8 | 148.7 | -59.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 21 | L | 47.3 | Very low | 43.4 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | -177 | 89.4 | 123.3 | -91.2 | 161.5 | 0 | 0 | 0 | 105.3 | |||||
| 22 | L | 43.4 | Very low | 43.6 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | 53 | 102.7 | 91.4 | -65.4 | 171.9 | 0 | 0 | 0 | 111.5 | |||||
| 23 | L | 45.8 | Very low | 43.7 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 61% | 0.613 | 75% | 0.751 | S | S | * | * | 95.2 | 115.5 | 93.1 | -82.7 | -176.4 | 0 | 0 | 0 | 111.8 | F25 | L23-F25 HydrophobicContact CD1-CE2 4.28Å; L23-F25 HydrophobicContact CD2-CD2 3.67Å; L23-F25 HydrophobicContact CD2-CE2 3.33Å; L23-F25 HydrophobicContact CD2-CZ 4.3Å; L23-F25 HydrophobicContact CG-CE2 4.41Å | |||
| 24 | L | 48.7 | Very low | 43.5 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 94% | 0.942 | 75% | 0.748 | S | S | * | * | trans | -142.4 | 113.9 | 134.4 | -86.3 | 179.8 | 0 | 0 | 0 | 109.7 | ||||
| 25 | F | 40.8 | Very low | 43.5 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | -74.5 | 153.2 | 164.3 | -78 | -93.4 | 0 | 0 | 0 | 110.6 | L23 | L23-F25 HydrophobicContact CD1-CE2 4.28Å; L23-F25 HydrophobicContact CD2-CD2 3.67Å; L23-F25 HydrophobicContact CD2-CE2 3.33Å; L23-F25 HydrophobicContact CD2-CZ 4.3Å; L23-F25 HydrophobicContact CG-CE2 4.41Å | ||
| 26 | L | 42.8 | Very low | 43.1 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | 161.7 | 107 | 113.4 | -81.8 | 170.3 | 0 | 0 | 0 | 110 | |||||
| 27 | V | 46.1 | Very low | 42.5 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | 73.5 | 115.3 | 96.1 | -176.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 28 | S | 42.1 | Very low | 41.5 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -175.4 | 108.4 | 130.4 | 43.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 29 | S | 46.3 | Very low | 41.2 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 59.2 | 93.7 | 56.4 | -58.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 30 | V | 51.8 | Low | 40.8 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -153.7 | 129.9 | 131.2 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 31 | P | 49.2 | Very low | 40.7 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -92.5 | 149.6 | 165.5 | 35.8 | -28.3 | 0 | 0 | 0 | 110.7 | ||||
| 32 | V | 42.8 | Very low | 40 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -119.3 | 109.7 | 164.5 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 33 | T | 41.3 | Very low | 39.5 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | trans | -111.1 | 135.6 | 162.2 | 44.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 34 | C | 37.5 | Very low | 39.5 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -132.7 | 126 | 160.6 | -50.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 35 | H | 36.8 | Very low | 38.5 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -70.1 | 143.4 | 178.9 | -70.5 | -96 | 0 | 0 | 0 | 111.7 | ||||
| 36 | D | 34.6 | Very low | 38.2 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 91.2 | 154.5 | 68.3 | -161 | 32.8 | 0 | 0 | 0 | 114.5 | |||||
| 37 | L | 32.8 | Very low | 37.6 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 101.4 | 101.3 | -174.1 | -55.8 | 176.3 | 0 | 0 | 0 | 111.5 | ||||
| 38 | G | 30.6 | Very low | 37 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | 82.4 | 122.2 | 60.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 39 | Q | 32 | Very low | 36.6 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | cis | -174.5 | 145.5 | 41.3 | -130.4 | 162 | -18.5 | 0 | 0 | 103.1 | ||||
| 40 | D | 28.3 | Very low | 36.1 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | 177.9 | 148 | 88.2 | -93.4 | -35.8 | 0 | 0 | 0 | 111.3 | |||||
| 41 | M | 34.3 | Very low | 35.3 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | trans | -66.8 | 150.8 | 175.1 | -66.8 | -123.6 | 94.4 | 0 | 0 | 113.2 | ||||
| 42 | L | 31.5 | Very low | 34.7 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | 172.3 | 121 | 125.8 | -91.7 | 148 | 0 | 0 | 0 | 111.1 | |||||
| 43 | S | 33.7 | Very low | 34.4 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -84.8 | 157 | 147.3 | -52.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 44 | P | 45.2 | Very low | 34.3 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | -155.1 | 172 | 71.7 | 37.2 | -14.1 | 0 | 0 | 0 | 117.7 | |||||
| 45 | E | 28.7 | Very low | 34.3 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 54.2 | 121.1 | 145.8 | -77.6 | -177.2 | 112 | 0 | 0 | 125.1 | ||||
| 46 | A | 33.6 | Very low | 34.4 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | 19.8 | 130 | 129.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 47 | T | 31 | Very low | 34.9 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -149.1 | 136.7 | 133.4 | -10.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 48 | N | 33.1 | Very low | 35.3 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 176.3 | -176.5 | -85.3 | -37.7 | 0 | 0 | 0 | 113.5 | ||||
| 49 | S | 33.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 93.8 | 132.3 | 156 | 70.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 50 | S | 36.2 | Very low | 36.3 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | cis | -170.8 | 141.5 | 5.9 | 35.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 51 | S | 34.5 | Very low | 36.7 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 40.3 | 117.1 | 140.6 | 62.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 52 | S | 36.8 | Very low | 37.2 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -135.2 | 90.6 | 132.1 | 61.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 53 | S | 36 | Very low | 38 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 117.5 | 168.8 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 54 | S | 38.8 | Very low | 38.2 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -111.3 | 89.9 | 156.4 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 55 | S | 39 | Very low | 38.6 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 62% | 0.622 | 79% | 0.791 | S | S | * | * | trans | -51.9 | 147 | 161.1 | -44.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 56 | F | 37.8 | Very low | 39.7 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | trans | 174.4 | 152.9 | 140.9 | -83 | -43.1 | 0 | 0 | 0 | 109.8 | ||||
| 57 | P | 45.1 | Very low | 40.6 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | -107.8 | 162.6 | -108 | 22.4 | -4.2 | 0 | 0 | 0 | 114.5 | S59 | P57-S59 PolarHBondContact O-N 3.42Š| |||
| 58 | S | 41.9 | Very low | 42 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -70.1 | 113.5 | 160.8 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 59 | S | 38.3 | Very low | 42.9 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -131.4 | 110.3 | 162.6 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | P57 S61 | P57-S59 PolarHBondContact O-N 3.42Å; S59-S61 PolarHBondContact O-N 3.45Å | ||
| 60 | F | 45.5 | Very low | 44.3 | Very low | 221 Ų | 221 | 126.4 Ų | 126.4 | 97% | 0.969 | 78% | 0.78 | S | S | * | * | trans | -64.5 | 120.5 | 162.1 | -95.3 | -98.4 | 0 | 0 | 0 | 108.7 | ||||
| 61 | S | 36.3 | Very low | 46 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -156.7 | 107.7 | 164.1 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | S59 | S59-S61 PolarHBondContact O-N 3.45Š| ||
| 62 | S | 44.5 | Very low | 47.4 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 38.4 | 145.9 | 147.5 | -55.4 | 0 | 0 | 0 | 0 | 121.7 | S64 | S62-S64 PolarHBondContact O-N 2.89Š| ||
| 63 | P | 47.8 | Very low | 48.7 | Very low | 135 Ų | 135 | 127 Ų | 127 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | -76.4 | 91.1 | -168.5 | 32.7 | -33.6 | 0 | 0 | 0 | 111.2 | S65 | P63-S65 PolarHBondContact O-N 3.32Š| ||
| 64 | S | 39.4 | Very low | 50 | Low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -70.2 | 118.8 | 164.2 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | S62 A66 | S62-S64 PolarHBondContact O-N 2.89Å; S64-A66 PolarHBondContact O-N 2.78Å | ||
| 65 | S | 53.4 | Low | 51.1 | Low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | trans | -28.4 | 93.1 | 167.3 | -178 | 0 | 0 | 0 | 0 | 112 | P63 G67 | P63-S65 PolarHBondContact O-N 3.32Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 2.85Å | ||
| 66 | A | 50.4 | Low | 52.1 | Low | 92 Ų | 92 | 124 Ų | 124 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | -69 | 95.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | S64 R68 | S64-A66 PolarHBondContact O-N 2.78Å; A66-R68 PolarHBondContact O-N 3Å | ||
| 67 | G | 52.8 | Low | 53 | Low | 62 Ų | 62 | 119.9 Ų | 119.9 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | trans | -44.6 | 118.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | S65 H69 | S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 2.85Å; G67-H69 PolarHBondContact O-N 3.46Å | ||
| 68 | R | 60.3 | Low | 53.7 | Low | 238 Ų | 238 | 117.4 Ų | 117.4 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | trans | -51.6 | 108.2 | 178.7 | -78.2 | -179.6 | -96.5 | 144.9 | -7 | 106.5 | A66 V70 | A66-R68 PolarHBondContact O-N 3Å; R68-V70 PolarHBondContact O-N 3.02Å | ||
| 69 | H | 52.7 | Low | 55.3 | Low | 168 Ų | 168 | 118 Ų | 118 | 78% | 0.778 | 67% | 0.672 | S | S | * | * | trans | -54.8 | 104.3 | 175.9 | 177.6 | -85.9 | 0 | 0 | 0 | 107.2 | G67 R71 | G67-H69 PolarHBondContact O-N 3.46Å; H69-R71 PolarHBondContact O-N 2.71Å | ||
| 70 | V | 63.3 | Low | 57.8 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | trans | -68.3 | 102.3 | 179.7 | 177.9 | 0 | 0 | 0 | 0 | 105.2 | R68 S72 | R68-V70 PolarHBondContact O-N 3.02Å; V70-S72 PolarHBondContact O-N 3.03Å | ||
| 71 | R | 71.9 | Confident | 60.1 | Low | 180 Ų | 180 | 107.4 Ų | 107.4 | 68% | 0.679 | 62% | 0.619 | S | S | * | * | trans | -62.5 | 100.9 | 175.7 | -133.1 | 159.9 | 179 | 147.3 | 1.1 | 106.6 | H69 Y73 | H69-R71 PolarHBondContact O-N 2.71Å; R71-Y73 HydrophobicContact CB-CD2 4.46Å; R71-Y73 HydrophobicContact CB-CE2 3.79Å; R71-Y73 WeakPolarHBondContact CD-OH 3.34Å; R71-Y73 HydrophobicContact CG-CE1 4.37Å; R71-Y73 HydrophobicContact CG-CE2 4.42Å; R71-Y73 WeakPolarHBondContact O-CD2 3.37Å; R71-Y73 PolarHBondContact O-N 2.96Å | ||
| 72 | S | 64.3 | Low | 62.9 | Low | 81 Ų | 81 | 108.9 Ų | 108.9 | 57% | 0.566 | 61% | 0.613 | S | S | * | * | trans | -70.8 | 114.8 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | V70 | V70-S72 PolarHBondContact O-N 3.03Š| ||
| 73 | Y | 63 | Low | 65.3 | Low | 82 Ų | 82 | 104.6 Ų | 104.6 | 32% | 0.322 | 58% | 0.58 | S | S | . | * | trans | -104.9 | 97.5 | 173.7 | -62.5 | -73.8 | 0 | 0 | 0 | 107.9 | R71 H75 L76 I159 | R71-Y73 HydrophobicContact CB-CD2 4.46Å; R71-Y73 HydrophobicContact CB-CE2 3.79Å; R71-Y73 WeakPolarHBondContact CD-OH 3.34Å; R71-Y73 HydrophobicContact CG-CE1 4.37Å; R71-Y73 HydrophobicContact CG-CE2 4.42Å; R71-Y73 WeakPolarHBondContact O-CD2 3.37Å; R71-Y73 PolarHBondContact O-N 2.96Å; Y73-H75 AromaticContact CD1-CE1 3.57Å; Y73-H75 AromaticContact CG-CE1 3.93Å; Y73-H75 PolarHBondContact O-N 3.12Å; Y73-H75 VanDerWaalsContact O-N 3.09Å; Y73-L76 HydrophobicContact CD2-CD1 3.74Å; Y73-L76 HydrophobicContact CG-CD1 3.94Å; Y73-L76 HydrophobicContact CG-CG 4.4Å; Y73-L76 WeakPolarHBondContact O-CA 3.42Å; Y73-L76 WeakPolarHBondContact O-CB 3.42Å; Y73-L76 PolarHBondContact O-N 3.43Å; Y73-I159 HydrophobicContact CD1-CD1 4.01Å; Y73-I159 HydrophobicContact CD2-CD1 4Å; Y73-I159 HydrophobicContact CE1-CD1 3.69Å; Y73-I159 HydrophobicContact CE2-CD1 3.68Å; Y73-I159 HydrophobicContact CG-CD1 4.13Å; Y73-I159 VanDerWaalsContact CZ-CD1 3.49Å | ||
| 74 | N | 63.7 | Low | 67.7 | Low | 118 Ų | 118 | 99.9 Ų | 99.9 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -56.1 | -29.2 | 179 | -64.9 | -16.8 | 0 | 0 | 0 | 112.1 | L76 Q77 | N74-L76 PolarHBondContact O-N 3.42Å; N74-Q77 WeakPolarHBondContact O-CB 3.41Å; N74-Q77 PolarHBondContact O-N 3.29Å; N74-Q77 PolarHBondContact OD1-NE2 2.82Å; N74-Q77 VanDerWaalsContact OD1-NE2 3.1Å |
| 75 | H | 60.8 | Low | 70.5 | Confident | 68 Ų | 68 | 94.8 Ų | 94.8 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -73.8 | -5.5 | 174.9 | 70.7 | -95.1 | 0 | 0 | 0 | 114.2 | Y73 R83 | Y73-H75 AromaticContact CD1-CE1 3.57Å; Y73-H75 AromaticContact CG-CE1 3.93Å; Y73-H75 PolarHBondContact O-N 3.12Å; Y73-H75 VanDerWaalsContact O-N 3.09Å; H75-R83 PolarHBondContact O-NH1 2.8Å; H75-R83 PolarHBondContact O-NH2 2.91Å |
| 76 | L | 62.1 | Low | 72.7 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 35% | 0.346 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -103.5 | -3.4 | 171.4 | -57.7 | -178 | 0 | 0 | 0 | 112.3 | Y73 N74 R81 I159 | Y73-L76 HydrophobicContact CD2-CD1 3.74Å; Y73-L76 HydrophobicContact CG-CD1 3.94Å; Y73-L76 HydrophobicContact CG-CG 4.4Å; Y73-L76 WeakPolarHBondContact O-CA 3.42Å; Y73-L76 WeakPolarHBondContact O-CB 3.42Å; Y73-L76 PolarHBondContact O-N 3.43Å; N74-L76 PolarHBondContact O-N 3.42Å; L76-R81 VanDerWaalsContact CD2-NH1 3.3Å; L76-I159 HydrophobicContact CD1-CD1 4.31Å |
| 77 | Q | 55.5 | Low | 75 | Confident | 119 Ų | 119 | 87.2 Ų | 87.2 | 56% | 0.556 | 44% | 0.444 | S | S | * | . | trans | -74 | 138.2 | 176.7 | -72.2 | 174.4 | 16.7 | 0 | 0 | 111 | N74 | N74-Q77 WeakPolarHBondContact O-CB 3.41Å; N74-Q77 PolarHBondContact O-N 3.29Å; N74-Q77 PolarHBondContact OD1-NE2 2.82Å; N74-Q77 VanDerWaalsContact OD1-NE2 3.1Å | ||
| 78 | G | 59.7 | Low | 77.1 | Confident | 55 Ų | 55 | 89 Ų | 89 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 99.3 | 133 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V80 | G78-V80 PolarHBondContact O-N 3.37Š|
| 79 | D | 75.6 | Confident | 78.9 | Confident | 134 Ų | 134 | 79.7 Ų | 79.7 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -58.1 | -30 | 177 | -85.2 | -17.2 | 0 | 0 | 0 | 112.4 | T117 S118 | D79-T117 WeakPolarHBondContact O-CA 3.42Å; D79-S118 PolarHBondContact O-N 2.93Å; D79-S118 VanDerWaalsContact O-N 3.1Å |
| 80 | V | 90.1 | Very high | 81.1 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 47% | 0.473 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.1 | -178.2 | -175.2 | 0 | 0 | 0 | 0 | 110 | G78 E115 T117 | G78-V80 PolarHBondContact O-N 3.37Å; V80-E115 HydrophobicContact CG1-CG 3.33Å; V80-T117 HydrophobicContact CG2-CG2 4.08Å |
| 81 | R | 93.8 | Very high | 82.7 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.5 | -179.7 | 41.5 | 162.1 | 176.9 | 171.9 | 1.7 | 111.9 | L76 R83 I116 E157 | L76-R81 VanDerWaalsContact CD2-NH1 3.3Å; R81-R83 HydrophobicContact CB-CG 4.4Å; R81-I116 HydrophobicContact CG-CB 3.9Å; R81-I116 WeakPolarHBondContact CG-O 3.24Å; R81-I116 PolarHBondContact N-O 3.1Å; R81-I116 PolarHBondContact O-N 2.79Å; R81-E157 IonicContact CZ-OE1 3.26Å; R81-E157 IonicContact CZ-OE2 2.9Å; R81-E157 IonicContact NH1-OE1 2.66Å; R81-E157 PolarHBondContact NH1-OE1 3.42Å; R81-E157 IonicContact NH1-OE2 3.1Å; R81-E157 PolarHBondContact NH1-OE2 2.96Å; R81-E157 IonicContact NH2-OE1 2.71Å; R81-E157 PolarHBondContact NH2-OE1 3.19Å; R81-E157 VanDerWaalsContact NH2-OE1 3.1Å; R81-E157 IonicContact NH2-OE2 3.43Å; R81-E157 PolarHBondContact NH2-OE2 3.1Å |
| 82 | K | 95.4 | Very high | 84 | Confident | 130 Ų | 130 | 64.9 Ų | 64.9 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.6 | 173.4 | -64.6 | -176.8 | -177.3 | 170.9 | 0 | 110.5 | L114 I129 | K82-L114 CarbonylContact C-O 3.49Å; K82-L114 WeakPolarHBondContact CA-O 3.49Å; K82-I129 HydrophobicContact CD-CD1 3.99Å; K82-I129 HydrophobicContact CG-CD1 4.05Å |
| 83 | R | 96.4 | Very high | 85.7 | Confident | 20 Ų | 20 | 61 Ų | 61 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 163.1 | -174 | -59.2 | -64.4 | 163.1 | 61.3 | 4.1 | 112.5 | H75 R81 L114 I116 P206 M207 | H75-R83 PolarHBondContact O-NH1 2.8Å; H75-R83 PolarHBondContact O-NH2 2.91Å; R81-R83 HydrophobicContact CB-CG 4.4Å; R83-L114 PolarHBondContact N-O 2.81Å; R83-L114 WeakPolarHBondContact O-CA 3.34Å; R83-L114 WeakPolarHBondContact O-CB 3.42Å; R83-L114 PolarHBondContact O-N 3.27Å; R83-L114 VanDerWaalsContact O-O 3.07Å; R83-I116 HydrophobicContact CB-CD1 4.13Å; R83-I116 HydrophobicContact CG-CD1 4.24Å; R83-P206 HydrophobicContact CG-CB 4.45Å; R83-M207 CarbonylContact C-O 3.57Å; R83-M207 WeakPolarHBondContact CA-O 3.25Å; R83-M207 WeakPolarHBondContact CB-O 3.21Å; R83-M207 VanDerWaalsContact CD-O 3.29Å; R83-M207 WeakPolarHBondContact CD-O 3.26Å |
| 84 | K | 97.7 | Very high | 87.3 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.8 | 156.8 | -66.9 | 175.1 | -175.4 | 174.2 | 0 | 108.6 | F92 E107 M207 V209 | K84-F92 HydrophobicContact CB-CD1 3.83Å; K84-F92 HydrophobicContact CB-CE1 4.15Å; K84-F92 HydrophobicContact CD-CD1 4.06Å; K84-F92 HydrophobicContact CD-CE1 4.03Å; K84-F92 HydrophobicContact CG-CD1 4.43Å; K84-E107 PolarHBondContact NZ-O 2.64Å; K84-M207 HydrophobicContact CB-CB 4.42Å; K84-M207 PolarHBondContact N-O 3.12Å; K84-M207 PolarHBondContact O-N 2.87Å; K84-V209 HydrophobicContact CG-CG2 3.91Å |
| 85 | L | 98.4 | Very high | 89 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 101.6 | 172.6 | -69.5 | -179.9 | 0 | 0 | 0 | 109.5 | F92 L93 L114 I116 V126 Y167 F204 P206 | L85-F92 WeakPolarHBondContact O-CA 3.43Å; L85-L93 HydrophobicContact CB-CB 4.1Å; L85-L93 HydrophobicContact CD1-CD2 4.09Å; L85-L93 PolarHBondContact O-N 3.14Å; L85-L114 HydrophobicContact CB-CD1 4.05Å; L85-L114 HydrophobicContact CD1-CD1 3.79Å; L85-L114 HydrophobicContact CG-CD1 3.81Å; L85-I116 HydrophobicContact CD2-CD1 4Å; L85-I116 HydrophobicContact CG-CD1 4.44Å; L85-V126 HydrophobicContact CD1-CG1 4.25Å; L85-Y167 HydrophobicContact CD1-CD2 4.49Å; L85-Y167 HydrophobicContact CD1-CE2 3.99Å; L85-Y167 HydrophobicContact CD2-CE2 3.86Å; L85-Y167 WeakPolarHBondContact CD2-OH 3.33Å; L85-F204 HydrophobicContact CB-CB 4.34Å; L85-F204 HydrophobicContact CB-CD1 4.08Å; L85-F204 HydrophobicContact CD2-CB 4.43Å; L85-P206 HydrophobicContact CD2-CB 4.16Å; L85-P206 HydrophobicContact CD2-CG 4.18Å |
| 86 | Y | 98.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108 | 180 | -172.3 | -115.5 | 0 | 0 | 0 | 110.8 | K90 F92 F204 L205 M207 | Y86-K90 HydrophobicContact CE1-CD 3.88Å; Y86-K90 WeakPolarHBondContact OH-CA 3.4Å; Y86-K90 WeakPolarHBondContact OH-CB 3.47Å; Y86-K90 WeakPolarHBondContact OH-CD 3.38Å; Y86-F92 AromaticContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD2 4.26Å; Y86-F92 AromaticContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE1 3.49Å; Y86-F92 VanDerWaalsContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE2 4.06Å; Y86-F92 HydrophobicContact CD2-CG 4.08Å; Y86-F92 AromaticContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CE2-CD2 4.5Å; Y86-F92 HydrophobicContact CE2-CE1 4.27Å; Y86-F92 HydrophobicContact CE2-CE2 4.11Å; Y86-F92 HydrophobicContact CE2-CZ 4Å; Y86-F92 HydrophobicContact CG-CD1 4.36Å; Y86-F92 HydrophobicContact CG-CE1 4.08Å; Y86-F204 CarbonylContact O-C 3.41Å; Y86-F204 WeakPolarHBondContact O-CA 3.4Å; Y86-L205 PolarHBondContact N-O 3.44Å; Y86-L205 PolarHBondContact O-N 2.98Å; Y86-M207 VanDerWaalsContact CB-SD 3.56Å; Y86-M207 HydrophobicContact CD1-SD 4.36Å; Y86-M207 HydrophobicContact CG-SD 3.95Å |
| 87 | S | 98.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 151.9 | 179.5 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | N89 K90 Y91 H203 | S87-N89 PolarHBondContact O-N 3.15Å; S87-N89 VanDerWaalsContact O-N 3.14Å; S87-K90 PolarHBondContact O-N 3.1Å; S87-Y91 WeakPolarHBondContact CB-O 3.2Å; S87-Y91 PolarHBondContact N-O 2.91Å; S87-Y91 WeakPolarHBondContact OG-CB 3.37Å; S87-Y91 PolarHBondContact OG-N 2.63Å; S87-Y91 VanDerWaalsContact OG-N 3.08Å; S87-Y91 PolarHBondContact OG-O 2.84Å; S87-H203 WeakPolarHBondContact CA-O 3.25Å |
| 88 | Y | 97.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -34.9 | 172 | -170.6 | -85.2 | 0 | 0 | 0 | 112.5 | K90 Y164 T200 H203 | Y88-K90 PolarHBondContact O-N 3.24Å; Y88-Y164 HydrophobicContact CD2-CD2 4.49Å; Y88-Y164 HydrophobicContact CD2-CE1 4.18Å; Y88-Y164 HydrophobicContact CD2-CE2 4.02Å; Y88-Y164 AromaticContact CD2-CZ 3.87Å; Y88-Y164 HydrophobicContact CE2-CE2 4.43Å; Y88-T200 VanDerWaalsContact CB-O 3.32Å; Y88-T200 WeakPolarHBondContact CB-O 3.28Å; Y88-T200 VanDerWaalsContact CD1-CB 3.47Å; Y88-T200 HydrophobicContact CD1-CG2 4.06Å; Y88-T200 HydrophobicContact CD2-CG2 4.32Å; Y88-T200 HydrophobicContact CE1-CG2 3.87Å; Y88-T200 HydrophobicContact CE2-CG2 4.15Å; Y88-T200 HydrophobicContact CG-CG2 4.27Å; Y88-H203 PolarHBondContact N-O 2.92Å |
| 89 | N | 97.6 | Very high | 96.3 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 14.4 | 176.5 | -68.5 | -25.1 | 0 | 0 | 0 | 114.2 | S87 Y91 L183 | S87-N89 PolarHBondContact O-N 3.15Å; S87-N89 VanDerWaalsContact O-N 3.14Å; N89-Y91 HydrophobicContact CB-CD2 4.22Å; N89-Y91 WeakPolarHBondContact O-CD2 3.46Å; N89-Y91 VanDerWaalsContact O-CE2 3.27Å; N89-Y91 WeakPolarHBondContact O-CE2 3.49Å; N89-L183 PolarHBondContact ND2-O 2.93Å |
| 90 | K | 98.1 | Very high | 97.4 | Very high | 116 Ų | 116 | 53 Ų | 53 | 50% | 0.504 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 66.5 | 38.2 | 174 | -46.7 | -63.6 | 177.8 | 173.7 | 0 | 114.4 | Y86 S87 Y88 | Y86-K90 HydrophobicContact CE1-CD 3.88Å; Y86-K90 WeakPolarHBondContact OH-CA 3.4Å; Y86-K90 WeakPolarHBondContact OH-CB 3.47Å; Y86-K90 WeakPolarHBondContact OH-CD 3.38Å; S87-K90 PolarHBondContact O-N 3.1Å; Y88-K90 PolarHBondContact O-N 3.24Å |
| 91 | Y | 98.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 13% | 0.129 | 22% | 0.222 | C | C | . | . | trans | -126.3 | 138.8 | 172.7 | -66.9 | -92.3 | 0 | 0 | 0 | 111.6 | S87 N89 K105 G185 | S87-Y91 WeakPolarHBondContact CB-O 3.2Å; S87-Y91 PolarHBondContact N-O 2.91Å; S87-Y91 WeakPolarHBondContact OG-CB 3.37Å; S87-Y91 PolarHBondContact OG-N 2.63Å; S87-Y91 VanDerWaalsContact OG-N 3.08Å; S87-Y91 PolarHBondContact OG-O 2.84Å; N89-Y91 HydrophobicContact CB-CD2 4.22Å; N89-Y91 WeakPolarHBondContact O-CD2 3.46Å; N89-Y91 VanDerWaalsContact O-CE2 3.27Å; N89-Y91 WeakPolarHBondContact O-CE2 3.49Å; Y91-K105 HydrophobicContact CD1-CG 3.84Å; Y91-K105 HydrophobicContact CE1-CD 4.29Å; Y91-K105 HydrophobicContact CE1-CG 3.71Å; Y91-G185 PolarHBondContact OH-O 2.85Å | ||
| 92 | F | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.6 | 163.3 | -61 | -75 | 0 | 0 | 0 | 110.2 | K84 L85 Y86 K94 G103 T104 E107 M207 | K84-F92 HydrophobicContact CB-CD1 3.83Å; K84-F92 HydrophobicContact CB-CE1 4.15Å; K84-F92 HydrophobicContact CD-CD1 4.06Å; K84-F92 HydrophobicContact CD-CE1 4.03Å; K84-F92 HydrophobicContact CG-CD1 4.43Å; L85-F92 WeakPolarHBondContact O-CA 3.43Å; Y86-F92 AromaticContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD2 4.26Å; Y86-F92 AromaticContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE1 3.49Å; Y86-F92 VanDerWaalsContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE2 4.06Å; Y86-F92 HydrophobicContact CD2-CG 4.08Å; Y86-F92 AromaticContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CE2-CD2 4.5Å; Y86-F92 HydrophobicContact CE2-CE1 4.27Å; Y86-F92 HydrophobicContact CE2-CE2 4.11Å; Y86-F92 HydrophobicContact CE2-CZ 4Å; Y86-F92 HydrophobicContact CG-CD1 4.36Å; Y86-F92 HydrophobicContact CG-CE1 4.08Å; F92-K94 PolarHBondContact O-N 3Å; F92-G103 CarbonylContact O-C 3.56Å; F92-G103 VanDerWaalsContact O-CA 3.29Å; F92-G103 WeakPolarHBondContact O-CA 3.4Å; F92-T104 HydrophobicContact CB-CG2 4.03Å; F92-T104 PolarHBondContact N-O 3.29Å; F92-T104 PolarHBondContact O-N 2.91Å; F92-E107 HydrophobicContact CE2-CB 4.37Å; F92-E107 HydrophobicContact CE2-CG 3.79Å; F92-E107 HydrophobicContact CZ-CG 4.24Å; F92-M207 HydrophobicContact CE1-SD 3.76Å; F92-M207 HydrophobicContact CZ-SD 4.38Å |
| 93 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 130.1 | 171.6 | -170.6 | 74.8 | 0 | 0 | 0 | 109.5 | L85 V101 S112 L114 L135 L183 F204 | L85-L93 HydrophobicContact CB-CB 4.1Å; L85-L93 HydrophobicContact CD1-CD2 4.09Å; L85-L93 PolarHBondContact O-N 3.14Å; L93-V101 HydrophobicContact CD1-CG1 3.68Å; L93-V101 HydrophobicContact CG-CG1 4.34Å; L93-S112 WeakPolarHBondContact O-CA 3.47Å; L93-S112 WeakPolarHBondContact O-CB 3.38Å; L93-L114 HydrophobicContact CB-CD1 4.41Å; L93-L114 HydrophobicContact CD2-CD1 4.17Å; L93-L135 HydrophobicContact CD2-CD1 4.18Å; L93-L135 HydrophobicContact CD2-CD2 3.64Å; L93-L183 HydrophobicContact CD1-CD1 4.04Å; L93-L183 HydrophobicContact CD1-CD2 4Å; L93-L183 HydrophobicContact CD1-CG 4.18Å; L93-F204 HydrophobicContact CB-CE1 4.33Å; L93-F204 HydrophobicContact CD1-CE1 4.33Å |
| 94 | K | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151 | 174.1 | 63.2 | 162.7 | 178.4 | 168.3 | 0 | 111.8 | F92 E96 V101 S102 T104 F111 | F92-K94 PolarHBondContact O-N 3Å; K94-E96 HydrophobicContact CD-CG 4.31Å; K94-E96 WeakPolarHBondContact CE-OE1 3.39Å; K94-E96 IonicContact NZ-OE1 2.7Å; K94-E96 PolarHBondContact NZ-OE1 3.27Å; K94-V101 WeakPolarHBondContact O-CA 3.45Å; K94-S102 WeakPolarHBondContact CE-OG 3.21Å; K94-S102 VanDerWaalsContact CG-O 3.27Å; K94-S102 WeakPolarHBondContact CG-O 3.23Å; K94-S102 PolarHBondContact N-O 3.07Å; K94-S102 PolarHBondContact O-N 2.89Å; K94-S102 VanDerWaalsContact O-N 3.09Å; K94-T104 HydrophobicContact CB-CG2 4.23Å; K94-T104 HydrophobicContact CD-CG2 4.06Å; K94-T104 HydrophobicContact CG-CG2 4.16Å; K94-F111 VanDerWaalsContact CA-O 3.3Å; K94-F111 WeakPolarHBondContact CA-O 3.15Å; K94-F111 HydrophobicContact CB-CB 4.03Å |
| 95 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 112 | 173.6 | -43.9 | 178.7 | 0 | 0 | 0 | 108.7 | V101 F111 L114 S131 Y133 L135 | I95-V101 HydrophobicContact CG1-CG2 4.22Å; I95-V101 HydrophobicContact CG2-CG2 4.13Å; I95-F111 PolarHBondContact N-O 2.74Å; I95-F111 VanDerWaalsContact N-O 3.15Å; I95-F111 WeakPolarHBondContact O-CD1 3.16Å; I95-L114 HydrophobicContact CD1-CD2 4.48Å; I95-S131 WeakPolarHBondContact O-CB 3.49Å; I95-S131 PolarHBondContact O-OG 3.15Å; I95-Y133 HydrophobicContact CG2-CG 4.34Å; I95-L135 HydrophobicContact CD1-CB 3.92Å; I95-L135 HydrophobicContact CD1-CD1 4.41Å |
| 96 | E | 98.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | trans | -79 | 167.7 | -176.1 | -65.4 | -179.6 | 153.5 | 0 | 0 | 112.2 | K94 N98 G99 K100 | K94-E96 HydrophobicContact CD-CG 4.31Å; K94-E96 WeakPolarHBondContact CE-OE1 3.39Å; K94-E96 IonicContact NZ-OE1 2.7Å; K94-E96 PolarHBondContact NZ-OE1 3.27Å; E96-N98 WeakPolarHBondContact CB-OD1 3.32Å; E96-N98 PolarHBondContact O-N 3.48Å; E96-N98 VanDerWaalsContact O-N 3.15Å; E96-G99 PolarHBondContact O-N 2.88Å; E96-K100 PolarHBondContact N-O 2.87Å | ||
| 97 | K | 97.9 | Very high | 98 | Very high | 145 Ų | 145 | 60.2 Ų | 60.2 | 63% | 0.63 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.1 | -178.9 | -65.4 | -172.6 | 177.1 | -178.8 | 0 | 114.4 | G99 F111 Y133 | K97-G99 VanDerWaalsContact C-N 3.31Å; K97-F111 HydrophobicContact CD-CZ 4.5Å; K97-F111 HydrophobicContact CG-CE1 3.66Å; K97-F111 HydrophobicContact CG-CZ 3.99Å; K97-Y133 VanDerWaalsContact O-CE2 3.26Å; K97-Y133 WeakPolarHBondContact O-CE2 3.38Å |
| 98 | N | 97.4 | Very high | 97.7 | Very high | 113 Ų | 113 | 67.1 Ų | 67.1 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 7.3 | 175.9 | 61.7 | 5.2 | 0 | 0 | 0 | 112.8 | E96 K100 | E96-N98 WeakPolarHBondContact CB-OD1 3.32Å; E96-N98 PolarHBondContact O-N 3.48Å; E96-N98 VanDerWaalsContact O-N 3.15Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.26Å; N98-K100 WeakPolarHBondContact OD1-CB 3.37Å; N98-K100 PolarHBondContact OD1-N 3.09Å |
| 99 | G | 97.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 74.7 | 8.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E96 K97 V101 G145 | E96-G99 PolarHBondContact O-N 2.88Å; K97-G99 VanDerWaalsContact C-N 3.31Å; G99-V101 PolarHBondContact O-N 2.77Å; G99-G145 WeakPolarHBondContact O-CA 3.49Å; G99-G145 PolarHBondContact O-N 2.91Å |
| 100 | K | 98.4 | Very high | 97.6 | Very high | 125 Ų | 125 | 63.9 Ų | 63.9 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | trans | -75.1 | 127.5 | 174.7 | -173.4 | 178.9 | 176.8 | -176.1 | 0 | 110.3 | E96 N98 | E96-K100 PolarHBondContact N-O 2.87Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.26Å; N98-K100 WeakPolarHBondContact OD1-CB 3.37Å; N98-K100 PolarHBondContact OD1-N 3.09Å | ||
| 101 | V | 98.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.3 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | L93 K94 I95 G99 L135 V143 T189 | L93-V101 HydrophobicContact CD1-CG1 3.68Å; L93-V101 HydrophobicContact CG-CG1 4.34Å; K94-V101 WeakPolarHBondContact O-CA 3.45Å; I95-V101 HydrophobicContact CG1-CG2 4.22Å; I95-V101 HydrophobicContact CG2-CG2 4.13Å; G99-V101 PolarHBondContact O-N 2.77Å; V101-L135 HydrophobicContact CG1-CD1 3.81Å; V101-L135 HydrophobicContact CG2-CD1 4Å; V101-V143 HydrophobicContact CB-CG1 4.03Å; V101-V143 HydrophobicContact CG1-CG1 3.87Å; V101-V143 HydrophobicContact CG2-CG1 4.17Å; V101-T189 HydrophobicContact CB-CG2 3.98Å; V101-T189 HydrophobicContact CG1-CG2 3.77Å; V101-T189 VanDerWaalsContact O-CG2 3.26Å; V101-T189 WeakPolarHBondContact O-CG2 3.46Å |
| 102 | S | 98.6 | Very high | 97.6 | Very high | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 176.5 | 177.1 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | K94 | K94-S102 WeakPolarHBondContact CE-OG 3.21Å; K94-S102 VanDerWaalsContact CG-O 3.27Å; K94-S102 WeakPolarHBondContact CG-O 3.23Å; K94-S102 PolarHBondContact N-O 3.07Å; K94-S102 PolarHBondContact O-N 2.89Å; K94-S102 VanDerWaalsContact O-N 3.09Å |
| 103 | G | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 150 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F92 G187 | F92-G103 CarbonylContact O-C 3.56Å; F92-G103 VanDerWaalsContact O-CA 3.29Å; F92-G103 WeakPolarHBondContact O-CA 3.4Å; G103-G187 WeakPolarHBondContact CA-O 3.47Å; G103-G187 PolarHBondContact N-O 2.82Å |
| 104 | T | 98.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.3 | 169.9 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | F92 K94 K106 C109 | F92-T104 HydrophobicContact CB-CG2 4.03Å; F92-T104 PolarHBondContact N-O 3.29Å; F92-T104 PolarHBondContact O-N 2.91Å; K94-T104 HydrophobicContact CB-CG2 4.23Å; K94-T104 HydrophobicContact CD-CG2 4.06Å; K94-T104 HydrophobicContact CG-CG2 4.16Å; T104-K106 PolarHBondContact OG1-N 3.14Å; T104-K106 VanDerWaalsContact OG1-N 3.14Å; T104-C109 HydrophobicContact CG2-CB 3.76Å |
| 105 | K | 97.8 | Very high | 97.5 | Very high | 144 Ų | 144 | 61.6 Ų | 61.6 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | trans | -89.2 | -13.1 | 169.9 | -65.8 | -173.8 | 176.5 | -177.2 | 0 | 112.6 | Y91 E107 | Y91-K105 HydrophobicContact CD1-CG 3.84Å; Y91-K105 HydrophobicContact CE1-CD 4.29Å; Y91-K105 HydrophobicContact CE1-CG 3.71Å; K105-E107 PolarHBondContact O-N 3.4Å | ||
| 106 | K | 96.6 | Very high | 97.5 | Very high | 158 Ų | 158 | 61.6 Ų | 61.6 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | trans | -69.7 | 114.5 | 178.6 | -61 | -174.4 | 178.8 | -171.5 | 0 | 110 | T104 N108 C109 | T104-K106 PolarHBondContact OG1-N 3.14Å; T104-K106 VanDerWaalsContact OG1-N 3.14Å; K106-N108 VanDerWaalsContact C-N 3.33Å; K106-N108 PolarHBondContact O-N 3.04Å; K106-C109 HydrophobicContact CB-CB 4.24Å; K106-C109 WeakPolarHBondContact O-CB 3.29Å; K106-C109 PolarHBondContact O-N 2.92Å | ||
| 107 | E | 93.1 | Very high | 97.4 | Very high | 132 Ų | 132 | 61.4 Ų | 61.4 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -39.8 | 179.5 | -68.8 | 177.1 | -173.3 | 0 | 0 | 112.2 | K84 F92 K105 C109 | K84-E107 PolarHBondContact NZ-O 2.64Å; F92-E107 HydrophobicContact CE2-CB 4.37Å; F92-E107 HydrophobicContact CE2-CG 3.79Å; F92-E107 HydrophobicContact CZ-CG 4.24Å; K105-E107 PolarHBondContact O-N 3.4Å; E107-C109 VanDerWaalsContact C-N 3.25Å; E107-C109 PolarHBondContact O-N 3.01Å |
| 108 | N | 93.7 | Very high | 97.3 | Very high | 147 Ų | 147 | 57.6 Ų | 57.6 | 79% | 0.786 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 22.6 | -177 | -62.2 | -18.6 | 0 | 0 | 0 | 113.3 | K106 P110 | K106-N108 VanDerWaalsContact C-N 3.33Å; K106-N108 PolarHBondContact O-N 3.04Å; N108-P110 VanDerWaalsContact O-CD 3.28Å; N108-P110 WeakPolarHBondContact O-CD 3.27Å |
| 109 | C | 96.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 10% | 0.101 | 29% | 0.285 | C | S | . | . | trans | -72.1 | 116.5 | 178.6 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | T104 K106 E107 F111 S112 | T104-C109 HydrophobicContact CG2-CB 3.76Å; K106-C109 HydrophobicContact CB-CB 4.24Å; K106-C109 WeakPolarHBondContact O-CB 3.29Å; K106-C109 PolarHBondContact O-N 2.92Å; E107-C109 VanDerWaalsContact C-N 3.25Å; E107-C109 PolarHBondContact O-N 3.01Å; C109-F111 PolarHBondContact O-N 3.02Å; C109-S112 WeakPolarHBondContact O-CB 3.41Å; C109-S112 PolarHBondContact O-N 2.98Å; C109-S112 PolarHBondContact O-OG 2.97Å | ||
| 110 | P | 96.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -67.8 | -24.5 | -175.9 | 28 | -36.2 | 0 | 0 | 0 | 112.6 | N108 S112 I113 K130 | N108-P110 VanDerWaalsContact O-CD 3.28Å; N108-P110 WeakPolarHBondContact O-CD 3.27Å; P110-S112 PolarHBondContact O-N 2.86Å; P110-I113 PolarHBondContact O-N 3.05Å; P110-K130 HydrophobicContact CB-CB 4.32Å; P110-K130 HydrophobicContact CB-CD 4.47Å; P110-K130 HydrophobicContact CB-CG 4.07Å; P110-K130 HydrophobicContact CG-CG 4.43Å; P110-K130 WeakPolarHBondContact O-CB 3.21Å |
| 111 | F | 98.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 20% | 0.202 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -74.4 | -6.4 | 175.9 | -60.4 | -70.1 | 0 | 0 | 0 | 114.2 | K94 I95 K97 C109 S128 K130 | K94-F111 VanDerWaalsContact CA-O 3.3Å; K94-F111 WeakPolarHBondContact CA-O 3.15Å; K94-F111 HydrophobicContact CB-CB 4.03Å; I95-F111 PolarHBondContact N-O 2.74Å; I95-F111 VanDerWaalsContact N-O 3.15Å; I95-F111 WeakPolarHBondContact O-CD1 3.16Å; K97-F111 HydrophobicContact CD-CZ 4.5Å; K97-F111 HydrophobicContact CG-CE1 3.66Å; K97-F111 HydrophobicContact CG-CZ 3.99Å; C109-F111 PolarHBondContact O-N 3.02Å; F111-S128 PolarHBondContact O-OG 3.31Å; F111-K130 HydrophobicContact CD1-CB 4Å; F111-K130 HydrophobicContact CD1-CG 3.9Å; F111-K130 HydrophobicContact CE1-CB 4.27Å; F111-K130 HydrophobicContact CE1-CG 3.69Å; F111-K130 HydrophobicContact CZ-CG 4.26Å |
| 112 | S | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -97.4 | -3.3 | 177 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | L93 C109 P110 L114 | L93-S112 WeakPolarHBondContact O-CA 3.47Å; L93-S112 WeakPolarHBondContact O-CB 3.38Å; C109-S112 WeakPolarHBondContact O-CB 3.41Å; C109-S112 PolarHBondContact O-N 2.98Å; C109-S112 PolarHBondContact O-OG 2.97Å; P110-S112 PolarHBondContact O-N 2.86Å; S112-L114 PolarHBondContact O-N 3.36Å |
| 113 | I | 97.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | trans | -82.1 | 111.3 | 173.7 | -55.7 | 175.6 | 0 | 0 | 0 | 107.5 | P110 I129 V209 | P110-I113 PolarHBondContact O-N 3.05Å; I113-I129 HydrophobicContact CG2-CD1 3.81Å; I113-I129 HydrophobicContact CG2-CG1 4.4Å; I113-I129 PolarHBondContact O-N 2.83Å; I113-I129 VanDerWaalsContact O-N 3.1Å; I113-V209 HydrophobicContact CG2-CG2 4.42Å | ||
| 114 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.1 | -173.3 | -52.9 | 176.8 | 0 | 0 | 0 | 110 | K82 R83 L85 L93 I95 S112 V126 K127 | K82-L114 CarbonylContact C-O 3.49Å; K82-L114 WeakPolarHBondContact CA-O 3.49Å; R83-L114 PolarHBondContact N-O 2.81Å; R83-L114 WeakPolarHBondContact O-CA 3.34Å; R83-L114 WeakPolarHBondContact O-CB 3.42Å; R83-L114 PolarHBondContact O-N 3.27Å; R83-L114 VanDerWaalsContact O-O 3.07Å; L85-L114 HydrophobicContact CB-CD1 4.05Å; L85-L114 HydrophobicContact CD1-CD1 3.79Å; L85-L114 HydrophobicContact CG-CD1 3.81Å; L93-L114 HydrophobicContact CB-CD1 4.41Å; L93-L114 HydrophobicContact CD2-CD1 4.17Å; I95-L114 HydrophobicContact CD1-CD2 4.48Å; S112-L114 PolarHBondContact O-N 3.36Å; L114-V126 HydrophobicContact CB-CG1 3.99Å; L114-V126 HydrophobicContact CD1-CG1 3.86Å; L114-V126 HydrophobicContact CG-CG1 4.34Å; L114-K127 CarbonylContact C-O 3.55Å; L114-K127 VanDerWaalsContact CA-O 3.26Å; L114-K127 WeakPolarHBondContact CA-O 3.44Å |
| 115 | E | 97.7 | Very high | 96.3 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.8 | 165.8 | -176.2 | 174.7 | 83.3 | 0 | 0 | 107.9 | V80 V126 K127 I129 | V80-E115 HydrophobicContact CG1-CG 3.33Å; E115-V126 CarbonylContact O-C 3.55Å; E115-V126 WeakPolarHBondContact O-CA 3.28Å; E115-K127 PolarHBondContact N-O 2.99Å; E115-K127 PolarHBondContact O-N 2.92Å; E115-I129 HydrophobicContact CB-CD1 4.35Å; E115-I129 HydrophobicContact CB-CG1 4.02Å |
| 116 | I | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.7 | 175.6 | -46.7 | 172.9 | 0 | 0 | 0 | 107.8 | R81 R83 L85 V124 A125 V126 | R81-I116 HydrophobicContact CG-CB 3.9Å; R81-I116 WeakPolarHBondContact CG-O 3.24Å; R81-I116 PolarHBondContact N-O 3.1Å; R81-I116 PolarHBondContact O-N 2.79Å; R83-I116 HydrophobicContact CB-CD1 4.13Å; R83-I116 HydrophobicContact CG-CD1 4.24Å; L85-I116 HydrophobicContact CD2-CD1 4Å; L85-I116 HydrophobicContact CG-CD1 4.44Å; I116-V124 HydrophobicContact CG2-CB 3.7Å; I116-V124 HydrophobicContact CG2-CG1 4.04Å; I116-V124 HydrophobicContact CG2-CG2 3.94Å; I116-A125 WeakPolarHBondContact CA-O 3.46Å; I116-V126 HydrophobicContact CG1-CG1 4.26Å; I116-V126 HydrophobicContact CG1-CG2 4.16Å; I116-V126 HydrophobicContact CG2-CG2 4.03Å |
| 117 | T | 96.7 | Very high | 96.4 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.2 | -176.5 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | D79 V80 V124 A125 | D79-T117 WeakPolarHBondContact O-CA 3.42Å; V80-T117 HydrophobicContact CG2-CG2 4.08Å; T117-V124 CarbonylContact O-C 3.54Å; T117-V124 VanDerWaalsContact O-CA 3.23Å; T117-V124 WeakPolarHBondContact O-CA 3.39Å; T117-A125 PolarHBondContact N-O 3.46Å; T117-A125 PolarHBondContact O-N 2.88Å |
| 118 | S | 95.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 127.4 | 173.2 | -168.3 | 0 | 0 | 0 | 0 | 109.6 | D79 | D79-S118 PolarHBondContact O-N 2.93Å; D79-S118 VanDerWaalsContact O-N 3.1Å |
| 119 | V | 94.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -43.2 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | V123 A125 F149 | V119-V123 PolarHBondContact N-O 3.21Å; V119-A125 HydrophobicContact CG2-CB 3.74Å; V119-F149 HydrophobicContact CG1-CZ 4.12Å; V119-F149 HydrophobicContact CG2-CE2 4.39Å; V119-F149 HydrophobicContact CG2-CZ 4.11Å |
| 120 | E | 93.2 | Very high | 96.9 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 171.9 | 177 | -59.6 | 161.5 | -149.6 | 0 | 0 | 107.9 | G122 V123 K154 | E120-G122 PolarHBondContact O-N 2.95Å; E120-V123 HydrophobicContact CB-CB 4Å; E120-V123 HydrophobicContact CB-CG2 4.19Å; E120-V123 PolarHBondContact N-O 3.35Å; E120-V123 PolarHBondContact O-N 2.9Å; E120-K154 IonicContact OE1-NZ 3.4Å; E120-K154 PolarHBondContact OE1-NZ 3.44Å |
| 121 | I | 92.6 | Very high | 97 | Very high | 178 Ų | 178 | 41.6 Ų | 41.6 | 91% | 0.913 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 112.8 | -179.6 | -60.3 | 173.2 | 0 | 0 | 0 | 110.7 | V123 | I121-V123 PolarHBondContact O-N 3.02Š|
| 122 | G | 94.1 | Very high | 97 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 37% | 0.371 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 12.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E120 K156 E157 | E120-G122 PolarHBondContact O-N 2.95Å; G122-K156 CarbonylContact O-C 3.52Å; G122-K156 WeakPolarHBondContact O-CA 3.49Å; G122-E157 PolarHBondContact O-N 2.68Å |
| 123 | V | 97.4 | Very high | 97 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.6 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | V119 E120 I121 K154 L155 L170 | V119-V123 PolarHBondContact N-O 3.21Å; E120-V123 HydrophobicContact CB-CB 4Å; E120-V123 HydrophobicContact CB-CG2 4.19Å; E120-V123 PolarHBondContact N-O 3.35Å; E120-V123 PolarHBondContact O-N 2.9Å; I121-V123 PolarHBondContact O-N 3.02Å; V123-K154 HydrophobicContact CG1-CB 3.93Å; V123-K154 HydrophobicContact CG1-CG 4.45Å; V123-L155 CarbonylContact C-O 3.49Å; V123-L155 WeakPolarHBondContact CA-O 3.4Å; V123-L170 HydrophobicContact CG1-CD2 4Å; V123-L170 HydrophobicContact CG2-CD1 3.88Å; V123-L170 HydrophobicContact CG2-CD2 4.19Å |
| 124 | V | 97.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.9 | -174.4 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | I116 T117 V126 L155 E157 Y167 | I116-V124 HydrophobicContact CG2-CB 3.7Å; I116-V124 HydrophobicContact CG2-CG1 4.04Å; I116-V124 HydrophobicContact CG2-CG2 3.94Å; T117-V124 CarbonylContact O-C 3.54Å; T117-V124 VanDerWaalsContact O-CA 3.23Å; T117-V124 WeakPolarHBondContact O-CA 3.39Å; V124-V126 HydrophobicContact CG2-CG2 4.09Å; V124-L155 HydrophobicContact CG2-CB 4.24Å; V124-L155 WeakPolarHBondContact CG2-O 3.4Å; V124-L155 PolarHBondContact N-O 3.47Å; V124-L155 PolarHBondContact O-N 3.07Å; V124-E157 HydrophobicContact CG1-CB 4.14Å; V124-E157 HydrophobicContact CG2-CB 4.15Å; V124-Y167 HydrophobicContact CG2-CD1 4.03Å; V124-Y167 HydrophobicContact CG2-CE1 3.99Å |
| 125 | A | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108 | I116 T117 V119 Y134 F149 | I116-A125 WeakPolarHBondContact CA-O 3.46Å; T117-A125 PolarHBondContact N-O 3.46Å; T117-A125 PolarHBondContact O-N 2.88Å; V119-A125 HydrophobicContact CG2-CB 3.74Å; A125-Y134 HydrophobicContact CB-CD1 4.33Å; A125-Y134 HydrophobicContact CB-CE1 4.46Å; A125-F149 HydrophobicContact CB-CD2 4.19Å; A125-F149 HydrophobicContact CB-CE2 3.71Å |
| 126 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.5 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | L85 L114 E115 I116 V124 Y134 L135 L155 | L85-V126 HydrophobicContact CD1-CG1 4.25Å; L114-V126 HydrophobicContact CB-CG1 3.99Å; L114-V126 HydrophobicContact CD1-CG1 3.86Å; L114-V126 HydrophobicContact CG-CG1 4.34Å; E115-V126 CarbonylContact O-C 3.55Å; E115-V126 WeakPolarHBondContact O-CA 3.28Å; I116-V126 HydrophobicContact CG1-CG1 4.26Å; I116-V126 HydrophobicContact CG1-CG2 4.16Å; I116-V126 HydrophobicContact CG2-CG2 4.03Å; V124-V126 HydrophobicContact CG2-CG2 4.09Å; V126-Y134 CarbonylContact O-C 3.54Å; V126-Y134 WeakPolarHBondContact O-CA 3.49Å; V126-L135 HydrophobicContact CB-CB 3.99Å; V126-L135 HydrophobicContact CB-CD2 4.22Å; V126-L135 HydrophobicContact CG1-CB 4.33Å; V126-L135 HydrophobicContact CG1-CD2 4.32Å; V126-L135 PolarHBondContact O-N 2.77Å; V126-L155 HydrophobicContact CG2-CD1 4.27Å |
| 127 | K | 98.6 | Very high | 97.2 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.6 | -177.3 | -170.6 | -176.4 | -179.6 | -177.3 | 0 | 110.6 | L114 E115 I129 N132 Y133 Y134 | L114-K127 CarbonylContact C-O 3.55Å; L114-K127 VanDerWaalsContact CA-O 3.26Å; L114-K127 WeakPolarHBondContact CA-O 3.44Å; E115-K127 PolarHBondContact N-O 2.99Å; E115-K127 PolarHBondContact O-N 2.92Å; K127-I129 PolarHBondContact O-N 2.79Å; K127-N132 VanDerWaalsContact CE-OD1 3.25Å; K127-N132 WeakPolarHBondContact CE-OD1 3.47Å; K127-N132 PolarHBondContact NZ-OD1 3.07Å; K127-Y133 CarbonylContact C-O 3.6Å; K127-Y133 WeakPolarHBondContact CA-O 3.47Å; K127-Y134 HydrophobicContact CB-CD1 3.81Å; K127-Y134 HydrophobicContact CB-CE1 3.88Å; K127-Y134 HydrophobicContact CD-CD1 4.37Å; K127-Y134 HydrophobicContact CD-CE1 3.8Å; K127-Y134 HydrophobicContact CD-CE2 4.26Å; K127-Y134 HydrophobicContact CG-CD1 4.08Å; K127-Y134 HydrophobicContact CG-CE1 4.02Å; K127-Y134 HydrophobicContact CG-CG 4.41Å |
| 128 | S | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 122.5 | 168.4 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | F111 K130 S131 N132 Y133 | F111-S128 PolarHBondContact O-OG 3.31Å; S128-K130 VanDerWaalsContact C-N 3.33Å; S128-K130 PolarHBondContact O-N 3.27Å; S128-S131 VanDerWaalsContact CB-OG 3.27Å; S128-S131 WeakPolarHBondContact CB-OG 3.43Å; S128-S131 PolarHBondContact OG-OG 3.1Å; S128-S131 VanDerWaalsContact OG-OG 3.12Å; S128-N132 VanDerWaalsContact O-CA 3.29Å; S128-N132 WeakPolarHBondContact O-CA 3.18Å; S128-N132 PolarHBondContact O-N 2.88Å; S128-Y133 PolarHBondContact N-O 3.4Å |
| 129 | I | 97.5 | Very high | 97.5 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 33% | 0.333 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -42.5 | -178.1 | -60.4 | -176.7 | 0 | 0 | 0 | 110.1 | K82 I113 E115 K127 | K82-I129 HydrophobicContact CD-CD1 3.99Å; K82-I129 HydrophobicContact CG-CD1 4.05Å; I113-I129 HydrophobicContact CG2-CD1 3.81Å; I113-I129 HydrophobicContact CG2-CG1 4.4Å; I113-I129 PolarHBondContact O-N 2.83Å; I113-I129 VanDerWaalsContact O-N 3.1Å; E115-I129 HydrophobicContact CB-CD1 4.35Å; E115-I129 HydrophobicContact CB-CG1 4.02Å; K127-I129 PolarHBondContact O-N 2.79Å |
| 130 | K | 98 | Very high | 97.6 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -36.6 | -174.2 | -173.5 | 60.1 | 176.5 | -178.3 | 0 | 113.5 | P110 F111 S128 | P110-K130 HydrophobicContact CB-CB 4.32Å; P110-K130 HydrophobicContact CB-CD 4.47Å; P110-K130 HydrophobicContact CB-CG 4.07Å; P110-K130 HydrophobicContact CG-CG 4.43Å; P110-K130 WeakPolarHBondContact O-CB 3.21Å; F111-K130 HydrophobicContact CD1-CB 4Å; F111-K130 HydrophobicContact CD1-CG 3.9Å; F111-K130 HydrophobicContact CE1-CB 4.27Å; F111-K130 HydrophobicContact CE1-CG 3.69Å; F111-K130 HydrophobicContact CZ-CG 4.26Å; S128-K130 VanDerWaalsContact C-N 3.33Å; S128-K130 PolarHBondContact O-N 3.27Å |
| 131 | S | 98.1 | Very high | 97.8 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -11.1 | -177.3 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | I95 S128 Y133 | I95-S131 WeakPolarHBondContact O-CB 3.49Å; I95-S131 PolarHBondContact O-OG 3.15Å; S128-S131 VanDerWaalsContact CB-OG 3.27Å; S128-S131 WeakPolarHBondContact CB-OG 3.43Å; S128-S131 PolarHBondContact OG-OG 3.1Å; S128-S131 VanDerWaalsContact OG-OG 3.12Å; S131-Y133 WeakPolarHBondContact O-CD2 3.38Å; S131-Y133 PolarHBondContact O-N 3.38Å |
| 132 | N | 98.4 | Very high | 98.1 | Very high | 91 Ų | 91 | 44.6 Ų | 44.6 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | trans | 58.6 | 22 | -174.4 | -77.1 | -59.8 | 0 | 0 | 0 | 114.9 | K127 S128 | K127-N132 VanDerWaalsContact CE-OD1 3.25Å; K127-N132 WeakPolarHBondContact CE-OD1 3.47Å; K127-N132 PolarHBondContact NZ-OD1 3.07Å; S128-N132 VanDerWaalsContact O-CA 3.29Å; S128-N132 WeakPolarHBondContact O-CA 3.18Å; S128-N132 PolarHBondContact O-N 2.88Å | ||
| 133 | Y | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -96.2 | 135.7 | 175.1 | -82.2 | -90.5 | 0 | 0 | 0 | 111.6 | I95 K97 K127 S128 S131 G145 S146 K147 | I95-Y133 HydrophobicContact CG2-CG 4.34Å; K97-Y133 VanDerWaalsContact O-CE2 3.26Å; K97-Y133 WeakPolarHBondContact O-CE2 3.38Å; K127-Y133 CarbonylContact C-O 3.6Å; K127-Y133 WeakPolarHBondContact CA-O 3.47Å; S128-Y133 PolarHBondContact N-O 3.4Å; S131-Y133 WeakPolarHBondContact O-CD2 3.38Å; S131-Y133 PolarHBondContact O-N 3.38Å; Y133-G145 VanDerWaalsContact CD1-O 3.25Å; Y133-G145 WeakPolarHBondContact CD1-O 3.42Å; Y133-G145 WeakPolarHBondContact CE1-O 3.47Å; Y133-S146 CarbonylContact C-O 3.55Å; Y133-S146 WeakPolarHBondContact CA-O 3.43Å; Y133-S146 VanDerWaalsContact CD1-C 3.41Å; Y133-K147 HydrophobicContact CD1-CB 4.38Å; Y133-K147 HydrophobicContact CE1-CB 3.96Å |
| 134 | Y | 98.8 | Very high | 98.4 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 20% | 0.204 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 137.3 | 167.8 | -64.7 | -84.6 | 0 | 0 | 0 | 110.8 | A125 V126 K127 A136 G145 S146 F149 C153 | A125-Y134 HydrophobicContact CB-CD1 4.33Å; A125-Y134 HydrophobicContact CB-CE1 4.46Å; V126-Y134 CarbonylContact O-C 3.54Å; V126-Y134 WeakPolarHBondContact O-CA 3.49Å; K127-Y134 HydrophobicContact CB-CD1 3.81Å; K127-Y134 HydrophobicContact CB-CE1 3.88Å; K127-Y134 HydrophobicContact CD-CD1 4.37Å; K127-Y134 HydrophobicContact CD-CE1 3.8Å; K127-Y134 HydrophobicContact CD-CE2 4.26Å; K127-Y134 HydrophobicContact CG-CD1 4.08Å; K127-Y134 HydrophobicContact CG-CE1 4.02Å; K127-Y134 HydrophobicContact CG-CG 4.41Å; Y134-A136 PolarHBondContact O-N 2.91Å; Y134-G145 CarbonylContact O-C 3.53Å; Y134-G145 VanDerWaalsContact O-CA 3.26Å; Y134-G145 WeakPolarHBondContact O-CA 3.42Å; Y134-S146 PolarHBondContact N-O 2.81Å; Y134-S146 PolarHBondContact O-N 3.09Å; Y134-F149 HydrophobicContact CD1-CD2 4.2Å; Y134-F149 HydrophobicContact CD2-CB 4.32Å; Y134-F149 HydrophobicContact CE1-CB 4.47Å; Y134-F149 HydrophobicContact CE1-CD2 4.24Å; Y134-F149 HydrophobicContact CE2-CB 3.97Å; Y134-C153 VanDerWaalsContact CB-SG 3.58Å |
| 135 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 118 | 168.3 | -177.6 | 62.5 | 0 | 0 | 0 | 109 | L93 I95 V101 V126 V143 L155 V181 | L93-L135 HydrophobicContact CD2-CD1 4.18Å; L93-L135 HydrophobicContact CD2-CD2 3.64Å; I95-L135 HydrophobicContact CD1-CB 3.92Å; I95-L135 HydrophobicContact CD1-CD1 4.41Å; V101-L135 HydrophobicContact CG1-CD1 3.81Å; V101-L135 HydrophobicContact CG2-CD1 4Å; V126-L135 HydrophobicContact CB-CB 3.99Å; V126-L135 HydrophobicContact CB-CD2 4.22Å; V126-L135 HydrophobicContact CG1-CB 4.33Å; V126-L135 HydrophobicContact CG1-CD2 4.32Å; V126-L135 PolarHBondContact O-N 2.77Å; L135-V143 HydrophobicContact CD1-CG1 3.66Å; L135-L155 HydrophobicContact CB-CD1 4.39Å; L135-L155 HydrophobicContact CD2-CD1 3.72Å; L135-L155 HydrophobicContact CG-CD1 4.01Å; L135-V181 HydrophobicContact CD2-CG1 4.23Å; L135-V181 HydrophobicContact CD2-CG2 4.17Å; L135-V181 HydrophobicContact CG-CG2 4.46Å |
| 136 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y134 V143 Y144 D152 | Y134-A136 PolarHBondContact O-N 2.91Å; A136-V143 WeakPolarHBondContact O-CA 3.03Å; A136-Y144 HydrophobicContact CB-CD1 4.09Å; A136-Y144 HydrophobicContact CB-CE1 3.61Å; A136-Y144 HydrophobicContact CB-CE2 4.08Å; A136-Y144 PolarHBondContact N-O 2.66Å; A136-Y144 PolarHBondContact O-N 3.26Å; A136-Y144 VanDerWaalsContact O-O 3.09Å; A136-D152 CarbonylContact C-O 3.49Å; A136-D152 VanDerWaalsContact CA-O 3.29Å; A136-D152 WeakPolarHBondContact CA-O 3.26Å; A136-D152 HydrophobicContact CB-CB 3.95Å |
| 137 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.7 | 169.5 | -174.2 | -173.2 | -58.6 | 0 | 0 | 109.7 | K142 V143 D152 W172 M179 F180 V181 | M137-K142 WeakPolarHBondContact CA-O 3.27Å; M137-V143 HydrophobicContact CE-CG2 3.93Å; M137-D152 PolarHBondContact N-O 2.71Å; M137-D152 VanDerWaalsContact O-CB 3.29Å; M137-D152 WeakPolarHBondContact O-CB 3.4Å; M137-W172 PolarHBondContact O-NE1 2.8Å; M137-M179 HydrophobicContact CE-CB 4.38Å; M137-M179 HydrophobicContact SD-CB 3.55Å; M137-M179 VanDerWaalsContact SD-CB 3.55Å; M137-M179 HydrophobicContact SD-CE 4.17Å; M137-M179 HydrophobicContact SD-SD 4.48Å; M137-F180 VanDerWaalsContact CE-O 3.28Å; M137-F180 WeakPolarHBondContact CE-O 3.41Å; M137-V181 HydrophobicContact CE-CG2 4.15Å |
| 138 | N | 98.5 | Very high | 98.4 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | trans | -83.6 | 171.2 | 178.5 | 71.3 | 16.3 | 0 | 0 | 0 | 113.4 | K140 G141 K142 Y144 D152 | N138-K140 PolarHBondContact O-N 2.97Å; N138-K140 VanDerWaalsContact O-N 3.07Å; N138-K140 WeakPolarHBondContact OD1-CA 3.36Å; N138-K140 WeakPolarHBondContact OD1-CB 3.5Å; N138-K140 PolarHBondContact OD1-N 2.92Å; N138-K140 VanDerWaalsContact OD1-N 3.1Å; N138-G141 WeakPolarHBondContact O-CA 3.34Å; N138-G141 PolarHBondContact O-N 2.76Å; N138-G141 PolarHBondContact OD1-N 2.68Å; N138-K142 PolarHBondContact N-O 2.88Å; N138-K142 WeakPolarHBondContact OD1-CB 3.37Å; N138-K142 PolarHBondContact OD1-N 2.9Å; N138-Y144 HydrophobicContact CB-CE1 3.89Å; N138-D152 WeakPolarHBondContact CA-OD2 3.37Å; N138-D152 VanDerWaalsContact CB-OD2 3.29Å; N138-D152 WeakPolarHBondContact CB-OD2 3.15Å | ||
| 139 | K | 98.2 | Very high | 98.4 | Very high | 153 Ų | 153 | 62.9 Ų | 62.9 | 67% | 0.665 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -29.6 | 177 | -171 | 175.1 | -178 | 179.2 | 0 | 114.2 | G141 W172 | K139-G141 PolarHBondContact O-N 2.79Å; K139-W172 HydrophobicContact CB-CD2 3.84Å; K139-W172 HydrophobicContact CB-CE3 3.84Å; K139-W172 HydrophobicContact CB-CG 4.38Å; K139-W172 HydrophobicContact CB-CH2 4.36Å; K139-W172 HydrophobicContact CB-CZ2 4.34Å; K139-W172 HydrophobicContact CB-CZ3 4.12Å; K139-W172 HydrophobicContact CD-CE3 4.16Å; K139-W172 HydrophobicContact CD-CH2 4.42Å; K139-W172 HydrophobicContact CD-CZ3 3.87Å; K139-W172 HydrophobicContact CG-CD2 4.21Å; K139-W172 HydrophobicContact CG-CE3 3.72Å; K139-W172 HydrophobicContact CG-CZ3 3.96Å |
| 140 | K | 97.9 | Very high | 98.4 | Very high | 156 Ų | 156 | 62.4 Ų | 62.4 | 68% | 0.678 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 3.7 | 175.9 | -60.3 | -176.9 | 179.9 | 179.6 | 0 | 113 | N138 K142 | N138-K140 PolarHBondContact O-N 2.97Å; N138-K140 VanDerWaalsContact O-N 3.07Å; N138-K140 WeakPolarHBondContact OD1-CA 3.36Å; N138-K140 WeakPolarHBondContact OD1-CB 3.5Å; N138-K140 PolarHBondContact OD1-N 2.92Å; N138-K140 VanDerWaalsContact OD1-N 3.1Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 3.3Å |
| 141 | G | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | 69.2 | 21.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | N138 K139 R191 G192 | N138-G141 WeakPolarHBondContact O-CA 3.34Å; N138-G141 PolarHBondContact O-N 2.76Å; N138-G141 PolarHBondContact OD1-N 2.68Å; K139-G141 PolarHBondContact O-N 2.79Å; G141-R191 CarbonylContact O-C 3.5Å; G141-R191 WeakPolarHBondContact O-CA 3.26Å; G141-G192 PolarHBondContact O-N 3.37Å | ||
| 142 | K | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 59.4 Ų | 59.4 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | trans | -81.2 | 125.7 | 171.3 | -167.3 | -176 | 173.1 | -174.5 | 0 | 108.5 | M137 N138 K140 | M137-K142 WeakPolarHBondContact CA-O 3.27Å; N138-K142 PolarHBondContact N-O 2.88Å; N138-K142 WeakPolarHBondContact OD1-CB 3.37Å; N138-K142 PolarHBondContact OD1-N 2.9Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 3.3Å | ||
| 143 | V | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.7 | 169.4 | -177.4 | 0 | 0 | 0 | 0 | 109 | V101 L135 A136 M137 T189 | V101-V143 HydrophobicContact CB-CG1 4.03Å; V101-V143 HydrophobicContact CG1-CG1 3.87Å; V101-V143 HydrophobicContact CG2-CG1 4.17Å; L135-V143 HydrophobicContact CD1-CG1 3.66Å; A136-V143 WeakPolarHBondContact O-CA 3.03Å; M137-V143 HydrophobicContact CE-CG2 3.93Å; V143-T189 HydrophobicContact CB-CG2 4.12Å; V143-T189 HydrophobicContact CG1-CG2 4.16Å |
| 144 | Y | 98.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 169.1 | -178.5 | 72.4 | -74.6 | 0 | 0 | 0 | 110.6 | A136 N138 D152 | A136-Y144 HydrophobicContact CB-CD1 4.09Å; A136-Y144 HydrophobicContact CB-CE1 3.61Å; A136-Y144 HydrophobicContact CB-CE2 4.08Å; A136-Y144 PolarHBondContact N-O 2.66Å; A136-Y144 PolarHBondContact O-N 3.26Å; A136-Y144 VanDerWaalsContact O-O 3.09Å; N138-Y144 HydrophobicContact CB-CE1 3.89Å; Y144-D152 HydrophobicContact CE1-CB 4.33Å; Y144-D152 PolarHBondContact OH-OD2 3.32Å |
| 145 | G | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | G99 Y133 Y134 | G99-G145 WeakPolarHBondContact O-CA 3.49Å; G99-G145 PolarHBondContact O-N 2.91Å; Y133-G145 VanDerWaalsContact CD1-O 3.25Å; Y133-G145 WeakPolarHBondContact CD1-O 3.42Å; Y133-G145 WeakPolarHBondContact CE1-O 3.47Å; Y134-G145 CarbonylContact O-C 3.53Å; Y134-G145 VanDerWaalsContact O-CA 3.26Å; Y134-G145 WeakPolarHBondContact O-CA 3.42Å |
| 146 | S | 98.7 | Very high | 98.4 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.4 | 169.4 | -170 | 0 | 0 | 0 | 0 | 110.9 | Y133 Y134 E148 N150 | Y133-S146 CarbonylContact C-O 3.55Å; Y133-S146 WeakPolarHBondContact CA-O 3.43Å; Y133-S146 VanDerWaalsContact CD1-C 3.41Å; Y134-S146 PolarHBondContact N-O 2.81Å; Y134-S146 PolarHBondContact O-N 3.09Å; S146-E148 WeakPolarHBondContact CB-O 3.46Å; S146-E148 PolarHBondContact OG-O 2.78Å; S146-N150 PolarHBondContact OG-ND2 2.77Å; S146-N150 VanDerWaalsContact OG-ND2 3.12Å |
| 147 | K | 97.8 | Very high | 98.4 | Very high | 156 Ų | 156 | 56.8 Ų | 56.8 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -74 | -35.3 | 177.8 | -167.3 | 174.8 | -178.8 | -175.3 | 0 | 111.3 | Y133 | Y133-K147 HydrophobicContact CD1-CB 4.38Å; Y133-K147 HydrophobicContact CE1-CB 3.96Å |
| 148 | E | 97.9 | Very high | 98.3 | Very high | 151 Ų | 151 | 61.8 Ų | 61.8 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -105.8 | 149 | 177.6 | -68.4 | 169.6 | -161.8 | 0 | 0 | 110.5 | S146 | S146-E148 WeakPolarHBondContact CB-O 3.46Å; S146-E148 PolarHBondContact OG-O 2.78Å |
| 149 | F | 98.3 | Very high | 98.3 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 39% | 0.386 | 29% | 0.289 | S | S | . | . | trans | -74.8 | 131.4 | 174.7 | 179.9 | -106.4 | 0 | 0 | 0 | 110.3 | V119 A125 Y134 C153 K154 | V119-F149 HydrophobicContact CG1-CZ 4.12Å; V119-F149 HydrophobicContact CG2-CE2 4.39Å; V119-F149 HydrophobicContact CG2-CZ 4.11Å; A125-F149 HydrophobicContact CB-CD2 4.19Å; A125-F149 HydrophobicContact CB-CE2 3.71Å; Y134-F149 HydrophobicContact CD1-CD2 4.2Å; Y134-F149 HydrophobicContact CD2-CB 4.32Å; Y134-F149 HydrophobicContact CE1-CB 4.47Å; Y134-F149 HydrophobicContact CE1-CD2 4.24Å; Y134-F149 HydrophobicContact CE2-CB 3.97Å; F149-C153 HydrophobicContact CD2-CB 3.6Å; F149-C153 HydrophobicContact CE2-CB 3.69Å; F149-K154 HydrophobicContact CE2-CG 4.43Å; F149-K154 HydrophobicContact CZ-CG 3.92Å | ||
| 150 | N | 98 | Very high | 98.2 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | trans | -151.7 | -175.8 | -179.4 | 58.1 | 34.7 | 0 | 0 | 0 | 110.9 | S146 D152 C153 | S146-N150 PolarHBondContact OG-ND2 2.77Å; S146-N150 VanDerWaalsContact OG-ND2 3.12Å; N150-D152 PolarHBondContact O-N 2.95Å; N150-D152 WeakPolarHBondContact OD1-CB 3.29Å; N150-D152 PolarHBondContact OD1-N 2.95Å; N150-C153 VanDerWaalsContact O-CB 3.31Å; N150-C153 WeakPolarHBondContact O-CB 3.29Å; N150-C153 PolarHBondContact O-N 2.93Å; N150-C153 PolarHBondContact OD1-N 3.28Å; N150-C153 PolarHBondContact OD1-SG 3.07Å | ||
| 151 | S | 98 | Very high | 98.1 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -59.9 | -30.7 | 179.2 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | C153 K154 N171 | S151-C153 PolarHBondContact O-N 3.08Å; S151-K154 PolarHBondContact O-N 3.27Å; S151-N171 PolarHBondContact O-OD1 3.36Å |
| 152 | D | 98.7 | Very high | 97.9 | Very high | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -67.2 | -21.4 | 177.2 | -68.4 | 8.3 | 0 | 0 | 0 | 112.2 | A136 M137 N138 Y144 N150 W172 | A136-D152 CarbonylContact C-O 3.49Å; A136-D152 VanDerWaalsContact CA-O 3.29Å; A136-D152 WeakPolarHBondContact CA-O 3.26Å; A136-D152 HydrophobicContact CB-CB 3.95Å; M137-D152 PolarHBondContact N-O 2.71Å; M137-D152 VanDerWaalsContact O-CB 3.29Å; M137-D152 WeakPolarHBondContact O-CB 3.4Å; N138-D152 WeakPolarHBondContact CA-OD2 3.37Å; N138-D152 VanDerWaalsContact CB-OD2 3.29Å; N138-D152 WeakPolarHBondContact CB-OD2 3.15Å; Y144-D152 HydrophobicContact CE1-CB 4.33Å; Y144-D152 PolarHBondContact OH-OD2 3.32Å; N150-D152 PolarHBondContact O-N 2.95Å; N150-D152 WeakPolarHBondContact OD1-CB 3.29Å; N150-D152 PolarHBondContact OD1-N 2.95Å; D152-W172 VanDerWaalsContact OD1-CE2 3.31Å; D152-W172 WeakPolarHBondContact OD1-CZ2 3.36Å; D152-W172 PolarHBondContact OD1-NE1 3.09Å |
| 153 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -85 | -12.2 | -178.7 | -56.4 | 0 | 0 | 0 | 0 | 113.6 | Y134 F149 N150 S151 L155 | Y134-C153 VanDerWaalsContact CB-SG 3.58Å; F149-C153 HydrophobicContact CD2-CB 3.6Å; F149-C153 HydrophobicContact CE2-CB 3.69Å; N150-C153 VanDerWaalsContact O-CB 3.31Å; N150-C153 WeakPolarHBondContact O-CB 3.29Å; N150-C153 PolarHBondContact O-N 2.93Å; N150-C153 PolarHBondContact OD1-N 3.28Å; N150-C153 PolarHBondContact OD1-SG 3.07Å; S151-C153 PolarHBondContact O-N 3.08Å; C153-L155 PolarHBondContact O-N 2.92Å |
| 154 | K | 98.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 22% | 0.217 | 30% | 0.298 | C | S | . | . | trans | -79.6 | 111.5 | -179.7 | -67.9 | -169.8 | 177.2 | -165.9 | 0 | 110.3 | E120 V123 F149 S151 L170 | E120-K154 IonicContact OE1-NZ 3.4Å; E120-K154 PolarHBondContact OE1-NZ 3.44Å; V123-K154 HydrophobicContact CG1-CB 3.93Å; V123-K154 HydrophobicContact CG1-CG 4.45Å; F149-K154 HydrophobicContact CE2-CG 4.43Å; F149-K154 HydrophobicContact CZ-CG 3.92Å; S151-K154 PolarHBondContact O-N 3.27Å; K154-L170 HydrophobicContact CB-CB 3.88Å; K154-L170 HydrophobicContact CB-CD2 3.85Å; K154-L170 HydrophobicContact CD-CD2 3.78Å; K154-L170 HydrophobicContact CG-CD2 4.45Å; K154-L170 VanDerWaalsContact O-CB 3.29Å; K154-L170 WeakPolarHBondContact O-CB 3.47Å; K154-L170 PolarHBondContact O-N 3.26Å | ||
| 155 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.4 | -177.5 | -59.5 | 175.9 | 0 | 0 | 0 | 110.9 | V123 V124 V126 L135 C153 E157 A168 V181 | V123-L155 CarbonylContact C-O 3.49Å; V123-L155 WeakPolarHBondContact CA-O 3.4Å; V124-L155 HydrophobicContact CG2-CB 4.24Å; V124-L155 WeakPolarHBondContact CG2-O 3.4Å; V124-L155 PolarHBondContact N-O 3.47Å; V124-L155 PolarHBondContact O-N 3.07Å; V126-L155 HydrophobicContact CG2-CD1 4.27Å; L135-L155 HydrophobicContact CB-CD1 4.39Å; L135-L155 HydrophobicContact CD2-CD1 3.72Å; L135-L155 HydrophobicContact CG-CD1 4.01Å; C153-L155 PolarHBondContact O-N 2.92Å; L155-E157 PolarHBondContact O-N 3.31Å; L155-A168 CarbonylContact C-O 3.46Å; L155-A168 VanDerWaalsContact CA-O 3.23Å; L155-A168 WeakPolarHBondContact CA-O 3.47Å; L155-V181 HydrophobicContact CD1-CG2 4.23Å; L155-V181 HydrophobicContact CD2-CG2 4.19Å |
| 156 | K | 98.5 | Very high | 97.7 | Very high | 63 Ų | 63 | 58 Ų | 58 | 27% | 0.274 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 112.4 | 171.1 | -171.5 | 172.3 | -169.5 | 164.3 | 0 | 109.6 | G122 Y167 A168 | G122-K156 CarbonylContact O-C 3.52Å; G122-K156 WeakPolarHBondContact O-CA 3.49Å; K156-Y167 WeakPolarHBondContact O-CA 3.48Å; K156-A168 HydrophobicContact CB-CB 4.43Å; K156-A168 PolarHBondContact N-O 2.85Å; K156-A168 PolarHBondContact O-N 2.74Å |
| 157 | E | 97.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134.5 | 175.2 | -176.2 | -179 | -127.3 | 0 | 0 | 110.2 | R81 G122 V124 L155 N165 T166 Y167 | R81-E157 IonicContact CZ-OE1 3.26Å; R81-E157 IonicContact CZ-OE2 2.9Å; R81-E157 IonicContact NH1-OE1 2.66Å; R81-E157 PolarHBondContact NH1-OE1 3.42Å; R81-E157 IonicContact NH1-OE2 3.1Å; R81-E157 PolarHBondContact NH1-OE2 2.96Å; R81-E157 IonicContact NH2-OE1 2.71Å; R81-E157 PolarHBondContact NH2-OE1 3.19Å; R81-E157 VanDerWaalsContact NH2-OE1 3.1Å; R81-E157 IonicContact NH2-OE2 3.43Å; R81-E157 PolarHBondContact NH2-OE2 3.1Å; G122-E157 PolarHBondContact O-N 2.68Å; V124-E157 HydrophobicContact CG1-CB 4.14Å; V124-E157 HydrophobicContact CG2-CB 4.15Å; L155-E157 PolarHBondContact O-N 3.31Å; E157-N165 HydrophobicContact CG-CB 4.4Å; E157-N165 PolarHBondContact OE1-ND2 3.1Å; E157-T166 WeakPolarHBondContact CA-O 3.23Å; E157-Y167 HydrophobicContact CB-CD1 4.09Å; E157-Y167 HydrophobicContact CB-CE1 3.85Å; E157-Y167 HydrophobicContact CG-CD1 4.2Å; E157-Y167 HydrophobicContact CG-CE1 3.57Å; E157-Y167 WeakPolarHBondContact OE1-CE1 3.35Å; E157-Y167 PolarHBondContact OE1-OH 2.93Å |
| 158 | R | 97.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 50.2 Ų | 50.2 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.3 | 170.7 | -74.3 | -172.2 | 164.7 | 168.4 | -8.3 | 110.9 | N165 T166 | R158-N165 CarbonylContact O-C 3.6Å; R158-N165 WeakPolarHBondContact O-CA 3.19Å; R158-T166 PolarHBondContact N-O 3.24Å; R158-T166 VanDerWaalsContact N-O 3.07Å; R158-T166 PolarHBondContact O-N 2.87Å |
| 159 | I | 97.3 | Very high | 97.8 | Very high | 60 Ų | 60 | 43 Ų | 43 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.7 | 167.6 | -57.3 | 168.9 | 0 | 0 | 0 | 107.3 | Y73 L76 N165 | Y73-I159 HydrophobicContact CD1-CD1 4.01Å; Y73-I159 HydrophobicContact CD2-CD1 4Å; Y73-I159 HydrophobicContact CE1-CD1 3.69Å; Y73-I159 HydrophobicContact CE2-CD1 3.68Å; Y73-I159 HydrophobicContact CG-CD1 4.13Å; Y73-I159 VanDerWaalsContact CZ-CD1 3.49Å; L76-I159 HydrophobicContact CD1-CD1 4.31Å; I159-N165 WeakPolarHBondContact CG1-OD1 3.1Å |
| 160 | E | 97.1 | Very high | 97.8 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | trans | -93.9 | 165.8 | 175.8 | -55.7 | -67.9 | 151.8 | 0 | 0 | 110.5 | N162 G163 Y164 T166 R197 | E160-N162 PolarHBondContact O-N 2.72Å; E160-N162 VanDerWaalsContact O-N 3.1Å; E160-G163 PolarHBondContact O-N 2.9Å; E160-Y164 WeakPolarHBondContact CB-O 3.4Å; E160-Y164 PolarHBondContact N-O 3.28Å; E160-T166 HydrophobicContact CG-CG2 3.5Å; E160-T166 WeakPolarHBondContact OE1-CB 3.29Å; E160-T166 VanDerWaalsContact OE1-CG2 3.24Å; E160-T166 WeakPolarHBondContact OE1-CG2 3.33Å; E160-T166 PolarHBondContact OE1-OG1 2.78Å; E160-R197 WeakPolarHBondContact OE1-CD 3.27Å; E160-R197 WeakPolarHBondContact OE1-CG 3.35Å; E160-R197 IonicContact OE1-NE 3.9Å; E160-R197 WeakPolarHBondContact OE2-CD 3.4Å; E160-R197 IonicContact OE2-CZ 3.88Å; E160-R197 IonicContact OE2-NE 3.02Å; E160-R197 PolarHBondContact OE2-NE 3.1Å | ||
| 161 | E | 95.1 | Very high | 97.8 | Very high | 196 Ų | 196 | 42.7 Ų | 42.7 | 92% | 0.916 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.4 | -175.7 | -68 | 162.3 | -161.7 | 0 | 0 | 113.5 | G163 | E161-G163 VanDerWaalsContact C-N 3.26Å; E161-G163 PolarHBondContact O-N 2.81Å |
| 162 | N | 94.8 | Very high | 97.8 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 7.1 | 177 | 63.9 | 7.8 | 0 | 0 | 0 | 113.9 | E160 Y164 H203 | E160-N162 PolarHBondContact O-N 2.72Å; E160-N162 VanDerWaalsContact O-N 3.1Å; N162-Y164 VanDerWaalsContact C-N 3.28Å; N162-Y164 PolarHBondContact O-N 3.2Å; N162-Y164 WeakPolarHBondContact OD1-CB 3.49Å; N162-Y164 PolarHBondContact OD1-N 3.26Å; N162-Y164 VanDerWaalsContact OD1-N 3.09Å; N162-H203 PolarHBondContact ND2-CD2 2.99Å; N162-H203 VanDerWaalsContact ND2-CD2 3.27Å; N162-H203 PolarHBondContact ND2-NE2 3.48Å |
| 163 | G | 95.8 | Very high | 97.8 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 44% | 0.443 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 79.9 | -0.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E160 E161 | E160-G163 PolarHBondContact O-N 2.9Å; E161-G163 VanDerWaalsContact C-N 3.26Å; E161-G163 PolarHBondContact O-N 2.81Å |
| 164 | Y | 98.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | trans | -87.7 | 157 | 172.5 | -74.1 | -105.9 | 0 | 0 | 0 | 111.3 | Y88 E160 N162 H203 L205 | Y88-Y164 HydrophobicContact CD2-CD2 4.49Å; Y88-Y164 HydrophobicContact CD2-CE1 4.18Å; Y88-Y164 HydrophobicContact CD2-CE2 4.02Å; Y88-Y164 AromaticContact CD2-CZ 3.87Å; Y88-Y164 HydrophobicContact CE2-CE2 4.43Å; E160-Y164 WeakPolarHBondContact CB-O 3.4Å; E160-Y164 PolarHBondContact N-O 3.28Å; N162-Y164 VanDerWaalsContact C-N 3.28Å; N162-Y164 PolarHBondContact O-N 3.2Å; N162-Y164 WeakPolarHBondContact OD1-CB 3.49Å; N162-Y164 PolarHBondContact OD1-N 3.26Å; N162-Y164 VanDerWaalsContact OD1-N 3.09Å; Y164-H203 HydrophobicContact CD1-CB 3.91Å; Y164-H203 HydrophobicContact CG-CB 3.9Å; Y164-L205 HydrophobicContact CD1-CB 3.93Å; Y164-L205 HydrophobicContact CE1-CB 3.77Å | ||
| 165 | N | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 149.4 | 173 | -67 | 11.4 | 0 | 0 | 0 | 111.4 | E157 R158 I159 Y167 H203 F204 P206 | E157-N165 HydrophobicContact CG-CB 4.4Å; E157-N165 PolarHBondContact OE1-ND2 3.1Å; R158-N165 CarbonylContact O-C 3.6Å; R158-N165 WeakPolarHBondContact O-CA 3.19Å; I159-N165 WeakPolarHBondContact CG1-OD1 3.1Å; N165-Y167 HydrophobicContact CB-CE2 3.97Å; N165-H203 WeakPolarHBondContact O-CA 3.29Å; N165-F204 WeakPolarHBondContact CA-O 3.42Å; N165-F204 PolarHBondContact N-O 2.9Å; N165-F204 PolarHBondContact O-N 3.22Å; N165-P206 HydrophobicContact CB-CG 4.36Å; N165-P206 WeakPolarHBondContact ND2-CG 3.29Å |
| 166 | T | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 149.3 | 163.9 | 62 | 0 | 0 | 0 | 0 | 110.4 | E157 R158 E160 R197 H203 | E157-T166 WeakPolarHBondContact CA-O 3.23Å; R158-T166 PolarHBondContact N-O 3.24Å; R158-T166 VanDerWaalsContact N-O 3.07Å; R158-T166 PolarHBondContact O-N 2.87Å; E160-T166 HydrophobicContact CG-CG2 3.5Å; E160-T166 WeakPolarHBondContact OE1-CB 3.29Å; E160-T166 VanDerWaalsContact OE1-CG2 3.24Å; E160-T166 WeakPolarHBondContact OE1-CG2 3.33Å; E160-T166 PolarHBondContact OE1-OG1 2.78Å; T166-R197 HydrophobicContact CG2-CG 4.42Å; T166-H203 VanDerWaalsContact CG2-ND1 3.34Å; T166-H203 WeakPolarHBondContact CG2-ND1 3.28Å |
| 167 | Y | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 102 | 178.2 | -62.4 | -82.6 | 0 | 0 | 0 | 109.1 | L85 V124 K156 E157 N165 F180 V181 F204 | L85-Y167 HydrophobicContact CD1-CD2 4.49Å; L85-Y167 HydrophobicContact CD1-CE2 3.99Å; L85-Y167 HydrophobicContact CD2-CE2 3.86Å; L85-Y167 WeakPolarHBondContact CD2-OH 3.33Å; V124-Y167 HydrophobicContact CG2-CD1 4.03Å; V124-Y167 HydrophobicContact CG2-CE1 3.99Å; K156-Y167 WeakPolarHBondContact O-CA 3.48Å; E157-Y167 HydrophobicContact CB-CD1 4.09Å; E157-Y167 HydrophobicContact CB-CE1 3.85Å; E157-Y167 HydrophobicContact CG-CD1 4.2Å; E157-Y167 HydrophobicContact CG-CE1 3.57Å; E157-Y167 WeakPolarHBondContact OE1-CE1 3.35Å; E157-Y167 PolarHBondContact OE1-OH 2.93Å; N165-Y167 HydrophobicContact CB-CE2 3.97Å; Y167-F180 WeakPolarHBondContact O-CA 3.44Å; Y167-V181 PolarHBondContact O-N 2.81Å; Y167-F204 HydrophobicContact CD2-CB 4.47Å; Y167-F204 HydrophobicContact CD2-CD2 4.11Å; Y167-F204 HydrophobicContact CE2-CB 4.05Å |
| 168 | A | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 2% | 0.017 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 147.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | L155 K156 L170 Q178 M179 F180 | L155-A168 CarbonylContact C-O 3.46Å; L155-A168 VanDerWaalsContact CA-O 3.23Å; L155-A168 WeakPolarHBondContact CA-O 3.47Å; K156-A168 HydrophobicContact CB-CB 4.43Å; K156-A168 PolarHBondContact N-O 2.85Å; K156-A168 PolarHBondContact O-N 2.74Å; A168-L170 PolarHBondContact O-N 2.71Å; A168-Q178 HydrophobicContact CB-CB 4.26Å; A168-M179 CarbonylContact C-O 3.54Å; A168-M179 WeakPolarHBondContact CA-O 3.29Å; A168-F180 HydrophobicContact CB-CD1 3.81Å; A168-F180 HydrophobicContact CB-CE1 3.73Å; A168-F180 HydrophobicContact CB-CG 4.45Å; A168-F180 HydrophobicContact CB-CZ 4.29Å |
| 169 | S | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 131.7 | 166.4 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | W172 M179 | S169-W172 WeakPolarHBondContact OG-CB 3.27Å; S169-W172 VanDerWaalsContact OG-CD1 3.28Å; S169-W172 PolarHBondContact OG-N 3.43Å; S169-M179 PolarHBondContact N-O 2.77Å |
| 170 | L | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 54 Ų | 54 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -48.8 | 173.7 | -178.6 | 67.2 | 0 | 0 | 0 | 110.4 | V123 K154 A168 | V123-L170 HydrophobicContact CG1-CD2 4Å; V123-L170 HydrophobicContact CG2-CD1 3.88Å; V123-L170 HydrophobicContact CG2-CD2 4.19Å; K154-L170 HydrophobicContact CB-CB 3.88Å; K154-L170 HydrophobicContact CB-CD2 3.85Å; K154-L170 HydrophobicContact CD-CD2 3.78Å; K154-L170 HydrophobicContact CG-CD2 4.45Å; K154-L170 VanDerWaalsContact O-CB 3.29Å; K154-L170 WeakPolarHBondContact O-CB 3.47Å; K154-L170 PolarHBondContact O-N 3.26Å; A168-L170 PolarHBondContact O-N 2.71Å |
| 171 | N | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -30.7 | -170 | -66.4 | 78.1 | 0 | 0 | 0 | 113.7 | S151 | S151-N171 PolarHBondContact O-OD1 3.36Å |
| 172 | W | 98.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127 | -169.6 | -48.7 | 120.5 | 0 | 0 | 0 | 113.4 | M137 K139 D152 S169 M179 | M137-W172 PolarHBondContact O-NE1 2.8Å; K139-W172 HydrophobicContact CB-CD2 3.84Å; K139-W172 HydrophobicContact CB-CE3 3.84Å; K139-W172 HydrophobicContact CB-CG 4.38Å; K139-W172 HydrophobicContact CB-CH2 4.36Å; K139-W172 HydrophobicContact CB-CZ2 4.34Å; K139-W172 HydrophobicContact CB-CZ3 4.12Å; K139-W172 HydrophobicContact CD-CE3 4.16Å; K139-W172 HydrophobicContact CD-CH2 4.42Å; K139-W172 HydrophobicContact CD-CZ3 3.87Å; K139-W172 HydrophobicContact CG-CD2 4.21Å; K139-W172 HydrophobicContact CG-CE3 3.72Å; K139-W172 HydrophobicContact CG-CZ3 3.96Å; D152-W172 VanDerWaalsContact OD1-CE2 3.31Å; D152-W172 WeakPolarHBondContact OD1-CZ2 3.36Å; D152-W172 PolarHBondContact OD1-NE1 3.09Å; S169-W172 WeakPolarHBondContact OG-CB 3.27Å; S169-W172 VanDerWaalsContact OG-CD1 3.28Å; S169-W172 PolarHBondContact OG-N 3.43Å; W172-M179 HydrophobicContact CB-CE 3.4Å; W172-M179 VanDerWaalsContact CB-CE 3.4Å |
| 173 | K | 98 | Very high | 98 | Very high | 132 Ų | 132 | 39.9 Ų | 39.9 | 57% | 0.574 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 159.4 | 175.3 | -63 | 179.2 | -174.9 | 174.2 | 0 | 109.7 | R177 | K173-R177 CarbonylContact C-O 3.53Å; K173-R177 VanDerWaalsContact CA-O 3.28Å; K173-R177 WeakPolarHBondContact CA-O 3.31Å; K173-R177 WeakPolarHBondContact CB-O 3.17Å |
| 174 | H | 97.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 116.5 | 174.3 | -178.2 | -92.7 | 0 | 0 | 0 | 109.3 | G176 R177 M179 Q193 | H174-G176 VanDerWaalsContact C-N 3.34Å; H174-G176 PolarHBondContact O-N 3.31Å; H174-R177 PolarHBondContact N-O 3.05Å; H174-R177 WeakPolarHBondContact O-CB 3.26Å; H174-R177 PolarHBondContact O-N 2.82Å; H174-M179 HydrophobicContact CB-CG 4.08Å; H174-M179 HydrophobicContact CB-SD 3.99Å; H174-Q193 HydrophobicContact CB-CB 4.45Å; H174-Q193 HydrophobicContact CB-CG 4.15Å; H174-Q193 PolarHBondContact CD2-NE2 3.25Å; H174-Q193 VanDerWaalsContact CD2-NE2 3.27Å; H174-Q193 PolarHBondContact NE2-NE2 2.86Å |
| 175 | N | 96.1 | Very high | 98.1 | Very high | 145 Ų | 145 | 40.4 Ų | 40.4 | 78% | 0.775 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 52.1 | -175.9 | -56.6 | -4.3 | 0 | 0 | 0 | 111.6 | R177 | N175-R177 PolarHBondContact O-N 3.16Š|
| 176 | G | 95.9 | Very high | 98 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 72% | 0.722 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -14.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H174 | H174-G176 VanDerWaalsContact C-N 3.34Å; H174-G176 PolarHBondContact O-N 3.31Å |
| 177 | R | 97.1 | Very high | 98 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 33% | 0.328 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 140.5 | -177.9 | -99 | 166.9 | 40.2 | 56.8 | 29.2 | 112.9 | K173 H174 N175 T195 R196 | K173-R177 CarbonylContact C-O 3.53Å; K173-R177 VanDerWaalsContact CA-O 3.28Å; K173-R177 WeakPolarHBondContact CA-O 3.31Å; K173-R177 WeakPolarHBondContact CB-O 3.17Å; H174-R177 PolarHBondContact N-O 3.05Å; H174-R177 WeakPolarHBondContact O-CB 3.26Å; H174-R177 PolarHBondContact O-N 2.82Å; N175-R177 PolarHBondContact O-N 3.16Å; R177-T195 PolarHBondContact NH2-O 3.37Å; R177-R196 VanDerWaalsContact CZ-CZ 3.42Å; R177-R196 VanDerWaalsContact CZ-NE 3.32Å; R177-R196 VanDerWaalsContact NH2-CD 3.33Å; R177-R196 VanDerWaalsContact NH2-CZ 3.29Å |
| 178 | Q | 98.3 | Very high | 98 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 23% | 0.229 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 146.1 | 171.9 | -65 | -177.1 | -59.9 | 0 | 0 | 111.7 | A168 F180 | A168-Q178 HydrophobicContact CB-CB 4.26Å; Q178-F180 HydrophobicContact CB-CE2 3.74Å; Q178-F180 HydrophobicContact CB-CZ 3.8Å; Q178-F180 WeakPolarHBondContact O-CE2 3.36Å |
| 179 | M | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.6 | 172.2 | -65.3 | -165.4 | -68.7 | 0 | 0 | 109.8 | M137 A168 S169 W172 H174 G192 Q193 | M137-M179 HydrophobicContact CE-CB 4.38Å; M137-M179 HydrophobicContact SD-CB 3.55Å; M137-M179 VanDerWaalsContact SD-CB 3.55Å; M137-M179 HydrophobicContact SD-CE 4.17Å; M137-M179 HydrophobicContact SD-SD 4.48Å; A168-M179 CarbonylContact C-O 3.54Å; A168-M179 WeakPolarHBondContact CA-O 3.29Å; S169-M179 PolarHBondContact N-O 2.77Å; W172-M179 HydrophobicContact CB-CE 3.4Å; W172-M179 VanDerWaalsContact CB-CE 3.4Å; H174-M179 HydrophobicContact CB-CG 4.08Å; H174-M179 HydrophobicContact CB-SD 3.99Å; M179-G192 VanDerWaalsContact SD-C 3.6Å; M179-Q193 HydrophobicContact SD-CG 3.88Å; M179-Q193 PolarHBondContact SD-N 2.65Å |
| 180 | F | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.5 | -172.5 | -60.6 | -96 | 0 | 0 | 0 | 111.3 | M137 Y167 A168 Q178 A182 T195 R197 A202 | M137-F180 VanDerWaalsContact CE-O 3.28Å; M137-F180 WeakPolarHBondContact CE-O 3.41Å; Y167-F180 WeakPolarHBondContact O-CA 3.44Å; A168-F180 HydrophobicContact CB-CD1 3.81Å; A168-F180 HydrophobicContact CB-CE1 3.73Å; A168-F180 HydrophobicContact CB-CG 4.45Å; A168-F180 HydrophobicContact CB-CZ 4.29Å; Q178-F180 HydrophobicContact CB-CE2 3.74Å; Q178-F180 HydrophobicContact CB-CZ 3.8Å; Q178-F180 WeakPolarHBondContact O-CE2 3.36Å; F180-A182 PolarHBondContact O-N 3.5Å; F180-T195 PolarHBondContact N-OG1 3.04Å; F180-T195 WeakPolarHBondContact O-CG2 3.38Å; F180-R197 HydrophobicContact CE1-CB 4.03Å; F180-R197 HydrophobicContact CE1-CG 3.91Å; F180-R197 HydrophobicContact CE2-CB 4.06Å; F180-R197 HydrophobicContact CZ-CB 3.55Å; F180-R197 HydrophobicContact CZ-CG 3.88Å; F180-A202 HydrophobicContact CB-CB 3.84Å; F180-A202 HydrophobicContact CG-CB 4.39Å |
| 181 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | trans | -61.9 | 133 | 161.9 | 179.1 | 0 | 0 | 0 | 0 | 107 | L135 M137 L155 Y167 A202 F204 | L135-V181 HydrophobicContact CD2-CG1 4.23Å; L135-V181 HydrophobicContact CD2-CG2 4.17Å; L135-V181 HydrophobicContact CG-CG2 4.46Å; M137-V181 HydrophobicContact CE-CG2 4.15Å; L155-V181 HydrophobicContact CD1-CG2 4.23Å; L155-V181 HydrophobicContact CD2-CG2 4.19Å; Y167-V181 PolarHBondContact O-N 2.81Å; V181-A202 WeakPolarHBondContact O-CA 3.35Å; V181-F204 HydrophobicContact CG1-CE2 4.22Å; V181-F204 HydrophobicContact CG1-CZ 4.08Å; V181-F204 WeakPolarHBondContact O-CE2 3.41Å | ||
| 182 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -155.6 | 144.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F180 T189 K190 T195 S201 A202 | F180-A182 PolarHBondContact O-N 3.5Å; A182-T189 WeakPolarHBondContact O-CA 3.5Å; A182-K190 HydrophobicContact CB-CB 4.1Å; A182-K190 HydrophobicContact CB-CD 4.21Å; A182-K190 HydrophobicContact CB-CG 4.47Å; A182-K190 PolarHBondContact O-N 3.12Å; A182-T195 HydrophobicContact CB-CG2 3.66Å; A182-S201 CarbonylContact C-O 3.58Å; A182-S201 WeakPolarHBondContact CA-O 3.37Å; A182-S201 WeakPolarHBondContact CB-O 3.48Å; A182-A202 HydrophobicContact CB-CB 4.15Å | ||
| 183 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -110.1 | 137.8 | 170.7 | -63.1 | -179.1 | 0 | 0 | 0 | 109.2 | N89 L93 A188 T189 S201 F204 | N89-L183 PolarHBondContact ND2-O 2.93Å; L93-L183 HydrophobicContact CD1-CD1 4.04Å; L93-L183 HydrophobicContact CD1-CD2 4Å; L93-L183 HydrophobicContact CD1-CG 4.18Å; L183-A188 CarbonylContact C-O 3.49Å; L183-A188 WeakPolarHBondContact CA-O 3.46Å; L183-T189 HydrophobicContact CD2-CG2 3.85Å; L183-S201 PolarHBondContact N-O 2.7Å; L183-S201 VanDerWaalsContact O-CB 3.27Å; L183-S201 WeakPolarHBondContact O-CB 3.38Å; L183-F204 HydrophobicContact CD1-CE1 4.08Å; L183-F204 HydrophobicContact CG-CE1 4.15Å; L183-F204 HydrophobicContact CG-CZ 4.15Å |
| 184 | N | 97.9 | Very high | 97.9 | Very high | 37 Ų | 37 | 58 Ų | 58 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | trans | -79.5 | 177.6 | 171.9 | 69.5 | 18.1 | 0 | 0 | 0 | 111.4 | R186 G187 A188 K190 | N184-R186 PolarHBondContact O-N 3.1Å; N184-R186 WeakPolarHBondContact OD1-CA 3.42Å; N184-R186 WeakPolarHBondContact OD1-CB 3.4Å; N184-R186 PolarHBondContact OD1-N 2.87Å; N184-G187 PolarHBondContact O-N 2.7Å; N184-G187 PolarHBondContact OD1-N 2.83Å; N184-A188 PolarHBondContact N-O 3.19Å; N184-A188 PolarHBondContact OD1-N 2.76Å; N184-A188 PolarHBondContact OD1-O 2.79Å; N184-K190 HydrophobicContact CB-CD 4.11Å; N184-K190 HydrophobicContact CB-CG 3.94Å | ||
| 185 | G | 97.4 | Very high | 97.9 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 58% | 0.577 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y91 | Y91-G185 PolarHBondContact OH-O 2.85Š|
| 186 | R | 97.8 | Very high | 98 | Very high | 210 Ų | 210 | 53.1 Ų | 53.1 | 79% | 0.792 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 4.6 | 174.9 | -62.3 | -177.9 | -71 | -168.8 | -2.6 | 112.6 | N184 A188 | N184-R186 PolarHBondContact O-N 3.1Å; N184-R186 WeakPolarHBondContact OD1-CA 3.42Å; N184-R186 WeakPolarHBondContact OD1-CB 3.4Å; N184-R186 PolarHBondContact OD1-N 2.87Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 2.79Å |
| 187 | G | 97.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 75.5 | 11.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G103 N184 | G103-G187 WeakPolarHBondContact CA-O 3.47Å; G103-G187 PolarHBondContact N-O 2.82Å; N184-G187 PolarHBondContact O-N 2.7Å; N184-G187 PolarHBondContact OD1-N 2.83Å |
| 188 | A | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 149.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | L183 N184 R186 | L183-A188 CarbonylContact C-O 3.49Å; L183-A188 WeakPolarHBondContact CA-O 3.46Å; N184-A188 PolarHBondContact N-O 3.19Å; N184-A188 PolarHBondContact OD1-N 2.76Å; N184-A188 PolarHBondContact OD1-O 2.79Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 2.79Å |
| 189 | T | 98.5 | Very high | 98 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 139.4 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | V101 V143 A182 L183 | V101-T189 HydrophobicContact CB-CG2 3.98Å; V101-T189 HydrophobicContact CG1-CG2 3.77Å; V101-T189 VanDerWaalsContact O-CG2 3.26Å; V101-T189 WeakPolarHBondContact O-CG2 3.46Å; V143-T189 HydrophobicContact CB-CG2 4.12Å; V143-T189 HydrophobicContact CG1-CG2 4.16Å; A182-T189 WeakPolarHBondContact O-CA 3.5Å; L183-T189 HydrophobicContact CD2-CG2 3.85Å |
| 190 | K | 98.3 | Very high | 98 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 150.1 | 172.8 | -65.5 | 177.7 | 67.9 | 171.7 | 0 | 110.2 | A182 N184 G192 T195 S201 | A182-K190 HydrophobicContact CB-CB 4.1Å; A182-K190 HydrophobicContact CB-CD 4.21Å; A182-K190 HydrophobicContact CB-CG 4.47Å; A182-K190 PolarHBondContact O-N 3.12Å; N184-K190 HydrophobicContact CB-CD 4.11Å; N184-K190 HydrophobicContact CB-CG 3.94Å; K190-G192 PolarHBondContact O-N 3.14Å; K190-T195 HydrophobicContact CB-CG2 4.13Å; K190-S201 PolarHBondContact NZ-OG 2.97Å; K190-S201 VanDerWaalsContact NZ-OG 3.1Å |
| 191 | R | 98.3 | Very high | 98 | Very high | 121 Ų | 121 | 62.3 Ų | 62.3 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 129.1 | 168.9 | -66.2 | -67.5 | -177 | 154.9 | 2.4 | 109.6 | G141 Q193 K194 | G141-R191 CarbonylContact O-C 3.5Å; G141-R191 WeakPolarHBondContact O-CA 3.26Å; R191-Q193 PolarHBondContact O-N 3.46Å; R191-Q193 VanDerWaalsContact O-N 3.15Å; R191-K194 HydrophobicContact CB-CG 4.43Å; R191-K194 WeakPolarHBondContact O-CA 3.43Å; R191-K194 WeakPolarHBondContact O-CB 3.3Å; R191-K194 PolarHBondContact O-N 3.42Å |
| 192 | G | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -51.1 | -38.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G141 M179 K190 K194 T195 | G141-G192 PolarHBondContact O-N 3.37Å; M179-G192 VanDerWaalsContact SD-C 3.6Å; K190-G192 PolarHBondContact O-N 3.14Å; G192-K194 PolarHBondContact O-N 3.41Å; G192-K194 VanDerWaalsContact O-N 3.14Å; G192-T195 WeakPolarHBondContact O-CB 3.44Å; G192-T195 PolarHBondContact O-N 3.31Å; G192-T195 PolarHBondContact O-OG1 2.87Å |
| 193 | Q | 97.8 | Very high | 97.9 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -57.3 | -31.6 | 177.2 | -55.4 | 168 | -63.6 | 0 | 0 | 112.8 | H174 M179 R191 R196 | H174-Q193 HydrophobicContact CB-CB 4.45Å; H174-Q193 HydrophobicContact CB-CG 4.15Å; H174-Q193 PolarHBondContact CD2-NE2 3.25Å; H174-Q193 VanDerWaalsContact CD2-NE2 3.27Å; H174-Q193 PolarHBondContact NE2-NE2 2.86Å; M179-Q193 HydrophobicContact SD-CG 3.88Å; M179-Q193 PolarHBondContact SD-N 2.65Å; R191-Q193 PolarHBondContact O-N 3.46Å; R191-Q193 VanDerWaalsContact O-N 3.15Å; Q193-R196 PolarHBondContact O-NH1 3.5Å; Q193-R196 VanDerWaalsContact O-NH1 3.12Å |
| 194 | K | 97.6 | Very high | 97.9 | Very high | 152 Ų | 152 | 62.7 Ų | 62.7 | 66% | 0.661 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -91.5 | 3.5 | -179.3 | -57.1 | -172.4 | 179 | -171.9 | 0 | 113.4 | R191 G192 | R191-K194 HydrophobicContact CB-CG 4.43Å; R191-K194 WeakPolarHBondContact O-CA 3.43Å; R191-K194 WeakPolarHBondContact O-CB 3.3Å; R191-K194 PolarHBondContact O-N 3.42Å; G192-K194 PolarHBondContact O-N 3.41Å; G192-K194 VanDerWaalsContact O-N 3.14Å |
| 195 | T | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -95.4 | 157 | -178.9 | 67 | 0 | 0 | 0 | 0 | 111.5 | R177 F180 A182 K190 G192 | R177-T195 PolarHBondContact NH2-O 3.37Å; F180-T195 PolarHBondContact N-OG1 3.04Å; F180-T195 WeakPolarHBondContact O-CG2 3.38Å; A182-T195 HydrophobicContact CB-CG2 3.66Å; K190-T195 HydrophobicContact CB-CG2 4.13Å; G192-T195 WeakPolarHBondContact O-CB 3.44Å; G192-T195 PolarHBondContact O-N 3.31Å; G192-T195 PolarHBondContact O-OG1 2.87Å | ||
| 196 | R | 97.7 | Very high | 97.9 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | trans | -140.6 | 148.4 | 176.7 | -55.4 | -66.4 | -179.4 | -94.7 | 10.8 | 107.7 | R177 Q193 K198 N199 | R177-R196 VanDerWaalsContact CZ-CZ 3.42Å; R177-R196 VanDerWaalsContact CZ-NE 3.32Å; R177-R196 VanDerWaalsContact NH2-CD 3.33Å; R177-R196 VanDerWaalsContact NH2-CZ 3.29Å; Q193-R196 PolarHBondContact O-NH1 3.5Å; Q193-R196 VanDerWaalsContact O-NH1 3.12Å; R196-K198 PolarHBondContact O-N 3.15Å; R196-N199 HydrophobicContact CB-CB 4.13Å; R196-N199 PolarHBondContact O-N 3.33Å; R196-N199 VanDerWaalsContact O-N 3.15Å | ||
| 197 | R | 97.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 55.8 Ų | 55.8 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -48 | 179.1 | -165.3 | -177.7 | 87.1 | -161.4 | 0.6 | 111.9 | E160 T166 F180 N199 H203 | E160-R197 WeakPolarHBondContact OE1-CD 3.27Å; E160-R197 WeakPolarHBondContact OE1-CG 3.35Å; E160-R197 IonicContact OE1-NE 3.9Å; E160-R197 WeakPolarHBondContact OE2-CD 3.4Å; E160-R197 IonicContact OE2-CZ 3.88Å; E160-R197 IonicContact OE2-NE 3.02Å; E160-R197 PolarHBondContact OE2-NE 3.1Å; T166-R197 HydrophobicContact CG2-CG 4.42Å; F180-R197 HydrophobicContact CE1-CB 4.03Å; F180-R197 HydrophobicContact CE1-CG 3.91Å; F180-R197 HydrophobicContact CE2-CB 4.06Å; F180-R197 HydrophobicContact CZ-CB 3.55Å; F180-R197 HydrophobicContact CZ-CG 3.88Å; R197-N199 PolarHBondContact O-N 2.77Å; R197-H203 PolarHBondContact O-CE1 3.15Å |
| 198 | K | 96.6 | Very high | 97.5 | Very high | 178 Ų | 178 | 60.5 Ų | 60.5 | 77% | 0.774 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.5 | -179.9 | -61.2 | -172.5 | 177 | -172.1 | 0 | 114.1 | R196 | R196-K198 PolarHBondContact O-N 3.15Š|
| 199 | N | 97.5 | Very high | 97.1 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -82.9 | 123.9 | -178 | -73.9 | 7.6 | 0 | 0 | 0 | 110 | R196 R197 S201 A202 | R196-N199 HydrophobicContact CB-CB 4.13Å; R196-N199 PolarHBondContact O-N 3.33Å; R196-N199 VanDerWaalsContact O-N 3.15Å; R197-N199 PolarHBondContact O-N 2.77Å; N199-S201 PolarHBondContact O-N 2.66Å; N199-A202 PolarHBondContact O-N 2.77Å |
| 200 | T | 97.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -56.5 | -25.3 | -177.7 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | Y88 A202 H203 | Y88-T200 VanDerWaalsContact CB-O 3.32Å; Y88-T200 WeakPolarHBondContact CB-O 3.28Å; Y88-T200 VanDerWaalsContact CD1-CB 3.47Å; Y88-T200 HydrophobicContact CD1-CG2 4.06Å; Y88-T200 HydrophobicContact CD2-CG2 4.32Å; Y88-T200 HydrophobicContact CE1-CG2 3.87Å; Y88-T200 HydrophobicContact CE2-CG2 4.15Å; Y88-T200 HydrophobicContact CG-CG2 4.27Å; T200-A202 PolarHBondContact O-N 3.37Å; T200-H203 VanDerWaalsContact CA-CD2 3.42Å; T200-H203 WeakPolarHBondContact CA-CD2 3.07Å; T200-H203 WeakPolarHBondContact O-CB 3.47Å; T200-H203 PolarHBondContact O-N 2.91Å |
| 201 | S | 98.2 | Very high | 94 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -55.8 | -21.2 | 172 | 60.7 | 0 | 0 | 0 | 0 | 115 | A182 L183 K190 N199 | A182-S201 CarbonylContact C-O 3.58Å; A182-S201 WeakPolarHBondContact CA-O 3.37Å; A182-S201 WeakPolarHBondContact CB-O 3.48Å; L183-S201 PolarHBondContact N-O 2.7Å; L183-S201 VanDerWaalsContact O-CB 3.27Å; L183-S201 WeakPolarHBondContact O-CB 3.38Å; K190-S201 PolarHBondContact NZ-OG 2.97Å; K190-S201 VanDerWaalsContact NZ-OG 3.1Å; N199-S201 PolarHBondContact O-N 2.66Å |
| 202 | A | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -99.2 | 0.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F180 V181 A182 N199 T200 F204 | F180-A202 HydrophobicContact CB-CB 3.84Å; F180-A202 HydrophobicContact CG-CB 4.39Å; V181-A202 WeakPolarHBondContact O-CA 3.35Å; A182-A202 HydrophobicContact CB-CB 4.15Å; N199-A202 PolarHBondContact O-N 2.77Å; T200-A202 PolarHBondContact O-N 3.37Å; A202-F204 WeakPolarHBondContact O-CD2 3.46Å |
| 203 | H | 98.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 73.9 Ų | 73.9 | 3% | 0.032 | 38% | 0.378 | C | S | . | . | trans | -91.9 | 132.4 | -178.8 | -67.8 | -34.3 | 0 | 0 | 0 | 111.3 | S87 Y88 N162 Y164 N165 T166 R197 T200 | S87-H203 WeakPolarHBondContact CA-O 3.25Å; Y88-H203 PolarHBondContact N-O 2.92Å; N162-H203 PolarHBondContact ND2-CD2 2.99Å; N162-H203 VanDerWaalsContact ND2-CD2 3.27Å; N162-H203 PolarHBondContact ND2-NE2 3.48Å; Y164-H203 HydrophobicContact CD1-CB 3.91Å; Y164-H203 HydrophobicContact CG-CB 3.9Å; N165-H203 WeakPolarHBondContact O-CA 3.29Å; T166-H203 VanDerWaalsContact CG2-ND1 3.34Å; T166-H203 WeakPolarHBondContact CG2-ND1 3.28Å; R197-H203 PolarHBondContact O-CE1 3.15Å; T200-H203 VanDerWaalsContact CA-CD2 3.42Å; T200-H203 WeakPolarHBondContact CA-CD2 3.07Å; T200-H203 WeakPolarHBondContact O-CB 3.47Å; T200-H203 PolarHBondContact O-N 2.91Å | ||
| 204 | F | 98.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.9 | 178.4 | -62.9 | -95.9 | 0 | 0 | 0 | 110.5 | L85 Y86 L93 N165 Y167 V181 L183 A202 | L85-F204 HydrophobicContact CB-CB 4.34Å; L85-F204 HydrophobicContact CB-CD1 4.08Å; L85-F204 HydrophobicContact CD2-CB 4.43Å; Y86-F204 CarbonylContact O-C 3.41Å; Y86-F204 WeakPolarHBondContact O-CA 3.4Å; L93-F204 HydrophobicContact CB-CE1 4.33Å; L93-F204 HydrophobicContact CD1-CE1 4.33Å; N165-F204 WeakPolarHBondContact CA-O 3.42Å; N165-F204 PolarHBondContact N-O 2.9Å; N165-F204 PolarHBondContact O-N 3.22Å; Y167-F204 HydrophobicContact CD2-CB 4.47Å; Y167-F204 HydrophobicContact CD2-CD2 4.11Å; Y167-F204 HydrophobicContact CE2-CB 4.05Å; V181-F204 HydrophobicContact CG1-CE2 4.22Å; V181-F204 HydrophobicContact CG1-CZ 4.08Å; V181-F204 WeakPolarHBondContact O-CE2 3.41Å; L183-F204 HydrophobicContact CD1-CE1 4.08Å; L183-F204 HydrophobicContact CG-CE1 4.15Å; L183-F204 HydrophobicContact CG-CZ 4.15Å; A202-F204 WeakPolarHBondContact O-CD2 3.46Å |
| 205 | L | 97.9 | Very high | 93 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.6 | 173.8 | -176.3 | 65.2 | 0 | 0 | 0 | 108.8 | Y86 Y164 M207 | Y86-L205 PolarHBondContact N-O 3.44Å; Y86-L205 PolarHBondContact O-N 2.98Å; Y164-L205 HydrophobicContact CD1-CB 3.93Å; Y164-L205 HydrophobicContact CE1-CB 3.77Å; L205-M207 HydrophobicContact CD2-CG 4.49Å; L205-M207 HydrophobicContact CG-CG 4.45Å; L205-M207 PolarHBondContact O-N 3.27Å |
| 206 | P | 96.5 | Very high | 92.7 | Very high | 20 Ų | 20 | 73.7 Ų | 73.7 | 13% | 0.13 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 110.4 | 173.3 | -13.7 | 29 | 0 | 0 | 0 | 110.4 | R83 L85 N165 | R83-P206 HydrophobicContact CG-CB 4.45Å; L85-P206 HydrophobicContact CD2-CB 4.16Å; L85-P206 HydrophobicContact CD2-CG 4.18Å; N165-P206 HydrophobicContact CB-CG 4.36Å; N165-P206 WeakPolarHBondContact ND2-CG 3.29Å |
| 207 | M | 95.7 | Very high | 92.4 | Very high | 75 Ų | 75 | 71.8 Ų | 71.8 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.6 | 177.9 | -63.2 | 178.9 | 69.2 | 0 | 0 | 110.6 | R83 K84 Y86 F92 L205 | R83-M207 CarbonylContact C-O 3.57Å; R83-M207 WeakPolarHBondContact CA-O 3.25Å; R83-M207 WeakPolarHBondContact CB-O 3.21Å; R83-M207 VanDerWaalsContact CD-O 3.29Å; R83-M207 WeakPolarHBondContact CD-O 3.26Å; K84-M207 HydrophobicContact CB-CB 4.42Å; K84-M207 PolarHBondContact N-O 3.12Å; K84-M207 PolarHBondContact O-N 2.87Å; Y86-M207 VanDerWaalsContact CB-SD 3.56Å; Y86-M207 HydrophobicContact CD1-SD 4.36Å; Y86-M207 HydrophobicContact CG-SD 3.95Å; F92-M207 HydrophobicContact CE1-SD 3.76Å; F92-M207 HydrophobicContact CZ-SD 4.38Å; L205-M207 HydrophobicContact CD2-CG 4.49Å; L205-M207 HydrophobicContact CG-CG 4.45Å; L205-M207 PolarHBondContact O-N 3.27Å |
| 208 | V | 92.1 | Very high | 92 | Very high | 101 Ų | 101 | 70.1 Ų | 70.1 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 139.5 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 209 | V | 88.5 | Confident | 91.7 | Very high | 37 Ų | 37 | 61.8 Ų | 61.8 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | trans | -93.9 | 111.9 | 170 | -178.4 | 0 | 0 | 0 | 0 | 106.7 | K84 I113 S211 | K84-V209 HydrophobicContact CG-CG2 3.91Å; I113-V209 HydrophobicContact CG2-CG2 4.42Å; V209-S211 PolarHBondContact O-N 3.25Å | ||
| 210 | M | 73.1 | Confident | 91.2 | Very high | 182 Ų | 182 | 61.5 Ų | 61.5 | 90% | 0.897 | 36% | 0.359 | S | S | * | . | trans | -73.5 | 122.8 | 169.3 | -58.7 | 178 | -158.5 | 0 | 0 | 107.1 | ||||
| 211 | S | 58.6 | Low | 90.6 | Very high | 185 Ų | 185 | 62 Ų | 62 | 100% | 1.294 | 36% | 0.361 | S | S | * | . | trans | -101.3 | 0 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | V209 | V209-S211 PolarHBondContact O-N 3.25Š|
Retrieved 211 of 211 residues in 33 ms
(Link to these results)