| 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 | 42 | Very low | 45 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 100% | 1.118 | 74% | 0.74 | S | S | * | * | 0 | 114.7 | 0 | -158.9 | 99.4 | 87 | 0 | 0 | 107.1 | |||||
| 2 | R | 43.9 | Very low | 44.6 | Very low | 222 Ų | 222 | 148.2 Ų | 148.2 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 19.9 | 120.6 | 155.5 | -52.2 | -170.7 | 174.2 | 122.2 | -1.1 | 118 | ||||
| 3 | M | 46 | Very low | 44.2 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | 50.4 | 130.1 | 71.4 | -67.1 | -167.3 | 76.2 | 0 | 0 | 111.3 | |||||
| 4 | S | 56.1 | Low | 43.9 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 51% | 0.51 | 74% | 0.738 | S | S | . | * | cis | -157.7 | 171.8 | 26 | -55.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 5 | D | 45 | Very low | 43.4 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | -142.4 | 150.5 | 94.4 | -85.1 | -30.6 | 0 | 0 | 0 | 114.7 | |||||
| 6 | I | 48.9 | Very low | 42.9 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 55% | 0.554 | 73% | 0.728 | S | S | * | * | trans | -118.8 | 151.6 | -164.2 | -90.4 | 160.5 | 0 | 0 | 0 | 107.6 | I8 | I6-I8 HydrophobicContact CG2-CD1 3.6Å; I6-I8 HydrophobicContact CG2-CG1 3.76Å | ||
| 7 | V | 43.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | 167.3 | 93.4 | 142 | 167.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 8 | I | 42.4 | Very low | 42.5 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | 50.9 | 124.5 | 72 | -27.7 | 174.2 | 0 | 0 | 0 | 111.9 | I6 | I6-I8 HydrophobicContact CG2-CD1 3.6Å; I6-I8 HydrophobicContact CG2-CG1 3.76Å | |||
| 9 | I | 41.3 | Very low | 42.4 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | 178 | 120.1 | 70.6 | -81 | 178.1 | 0 | 0 | 0 | 105 | |||||
| 10 | K | 44.2 | Very low | 42.2 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | 65.1 | 148.4 | 100.6 | -68.1 | 169.9 | 140.3 | -98.4 | 0 | 114 | |||||
| 11 | D | 41.5 | Very low | 42 | Very low | 94 Ų | 94 | 146 Ų | 146 | 50% | 0.503 | 75% | 0.75 | S | S | . | * | cis | -170.8 | 166.9 | 6.9 | -123.1 | -27.5 | 0 | 0 | 0 | 109.9 | ||||
| 12 | E | 40.1 | Very low | 42 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | trans | 68 | 144.5 | 138.5 | -70.7 | 165 | -173.8 | 0 | 0 | 118.8 | ||||
| 13 | T | 39 | Very low | 41.8 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | cis | -173.8 | 150.5 | 7.8 | 28.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 14 | E | 39.8 | Very low | 41.6 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | 167.4 | 122.9 | 92.6 | -105.3 | -171.9 | 151 | 0 | 0 | 106.7 | |||||
| 15 | T | 37 | Very low | 40.5 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | 55.6 | 133.6 | 103.2 | 66.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 16 | M | 35.5 | Very low | 40 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | cis | -179 | 155.4 | 19.6 | -116.7 | -173.8 | -46.8 | 0 | 0 | 110 | ||||
| 17 | K | 40.7 | Very low | 39.4 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | 76.5 | 109.2 | 136.3 | -71.9 | 169.8 | 175.4 | 167.4 | 0 | 122.8 | ||||
| 18 | D | 37 | Very low | 38.9 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | 15.5 | 132.9 | 117.1 | -58.2 | -30.8 | 0 | 0 | 0 | 119.7 | |||||
| 19 | L | 40.7 | Very low | 38.9 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | -173.1 | 138.9 | 97.8 | -124.1 | 98.8 | 0 | 0 | 0 | 112.6 | |||||
| 20 | E | 39.8 | Very low | 38.6 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -67.8 | 148.5 | 160.5 | -69.3 | 175.2 | 134.2 | 0 | 0 | 111.7 | ||||
| 21 | A | 37.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | trans | -155.4 | 117.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 22 | E | 41.8 | Very low | 37.9 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -77.4 | 139.9 | 169 | -171.2 | -169.4 | -167.1 | 0 | 0 | 110.4 | ||||
| 23 | M | 38.2 | Very low | 38.1 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | -164.6 | 131.1 | 145.5 | -166 | 173.7 | -178.4 | 0 | 0 | 111.1 | ||||
| 24 | R | 43 | Very low | 38 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 150.1 | 174.2 | -54.5 | -159 | 178.1 | -147.6 | 2.5 | 111.1 | ||||
| 25 | D | 32.2 | Very low | 38 | Very low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | 167.5 | 149.2 | 89.2 | -132 | -11.9 | 0 | 0 | 0 | 113.7 | |||||
| 26 | T | 34.9 | Very low | 37.8 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | 53 | 120.5 | 152.6 | 30.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 27 | T | 36.7 | Very low | 37.6 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 111.3 | 134.6 | -29.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 28 | R | 34.2 | Very low | 37 | Very low | 197 Ų | 197 | 155.8 Ų | 155.8 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | -172.5 | 116.4 | 124.9 | -172.5 | 166.3 | 169.3 | 147.1 | 1.5 | 111.1 | E30 | R28-E30 IonicContact CZ-OE1 2.98Å; R28-E30 IonicContact CZ-OE2 3.22Å; R28-E30 IonicContact NE-OE1 2.62Å; R28-E30 IonicContact NE-OE2 3.3Å; R28-E30 PolarHBondContact NE-OE2 2.91Å; R28-E30 IonicContact NH2-OE1 2.66Å; R28-E30 PolarHBondContact NH2-OE1 2.8Å; R28-E30 IonicContact NH2-OE2 3.69Å; R28-E30 PolarHBondContact NH2-OE2 2.69Å | |||
| 29 | V | 42.3 | Very low | 36.7 | Very low | 131 Ų | 131 | 152 Ų | 152 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -68.6 | 133.5 | 165.3 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 30 | E | 34.1 | Very low | 36.4 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | trans | -165.7 | 91.4 | 155.1 | -109.8 | 156.4 | -173.3 | 0 | 0 | 110.9 | R28 | R28-E30 IonicContact CZ-OE1 2.98Å; R28-E30 IonicContact CZ-OE2 3.22Å; R28-E30 IonicContact NE-OE1 2.62Å; R28-E30 IonicContact NE-OE2 3.3Å; R28-E30 PolarHBondContact NE-OE2 2.91Å; R28-E30 IonicContact NH2-OE1 2.66Å; R28-E30 PolarHBondContact NH2-OE1 2.8Å; R28-E30 IonicContact NH2-OE2 3.69Å; R28-E30 PolarHBondContact NH2-OE2 2.69Å | ||
| 31 | N | 37.1 | Very low | 36.2 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -78.3 | 118.3 | 161.3 | -81.3 | -37 | 0 | 0 | 0 | 108.3 | I33 | N31-I33 PolarHBondContact O-N 2.9Š| ||
| 32 | L | 35 | Very low | 35.9 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -82.8 | 100.1 | 168.6 | -93.5 | 73.4 | 0 | 0 | 0 | 109.5 | ||||
| 33 | I | 44.3 | Very low | 35.6 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -114.5 | 114.8 | 156.7 | -59.3 | 175.3 | 0 | 0 | 0 | 106.5 | N31 | N31-I33 PolarHBondContact O-N 2.9Š| ||
| 34 | K | 35.9 | Very low | 35.3 | Very low | 193 Ų | 193 | 150.5 Ų | 150.5 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -118.7 | 139.2 | 162.5 | -81.6 | -177.8 | 177.4 | -178.1 | 0 | 105.1 | ||||
| 35 | S | 39.1 | Very low | 35.2 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | cis | -171 | 148.5 | 24.4 | 39.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 36 | E | 33 | Very low | 35.1 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 57.1 | 140.6 | 138.5 | -70.4 | 168.7 | 131.8 | 0 | 0 | 120.2 | ||||
| 37 | N | 31.8 | Very low | 35.1 | Very low | 130 Ų | 130 | 155.9 Ų | 155.9 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | cis | -160.4 | 162.3 | 27.1 | -147.7 | -17.5 | 0 | 0 | 0 | 113.2 | ||||
| 38 | Y | 28.6 | Very low | 34.9 | Very low | 226 Ų | 226 | 158.4 Ų | 158.4 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -42.5 | 162.2 | 172.1 | -79.6 | -114 | 0 | 0 | 0 | 115.7 | ||||
| 39 | G | 31.3 | Very low | 34.9 | Very low | 66 Ų | 66 | 153.4 Ų | 153.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | cis | -178.8 | 170.9 | 17.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 40 | K | 34.3 | Very low | 34.7 | Very low | 212 Ų | 212 | 154.7 Ų | 154.7 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | trans | -61.7 | 146.8 | -168.6 | -63.9 | 162.5 | 175.1 | 176 | 0 | 114.6 | ||||
| 41 | I | 35.3 | Very low | 34.6 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -115.6 | 118.4 | 159.5 | -64.6 | 172.4 | 0 | 0 | 0 | 108.3 | ||||
| 42 | S | 30.7 | Very low | 34.4 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 147.5 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 43 | A | 36 | Very low | 34.2 | Very low | 90 Ų | 90 | 152.4 Ų | 152.4 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -66.2 | 144 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 44 | E | 32.2 | Very low | 34.1 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -159 | 140.5 | 149.1 | -116.8 | 171 | -170.5 | 0 | 0 | 110.9 | ||||
| 45 | K | 39.8 | Very low | 34 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -74 | 152.4 | -179.6 | -66.9 | 167.5 | 173.4 | 176.1 | 0 | 110.2 | ||||
| 46 | N | 30.1 | Very low | 34.1 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -162 | 124.6 | 140.2 | -91.2 | -30.7 | 0 | 0 | 0 | 110.8 | ||||
| 47 | E | 36.3 | Very low | 34.1 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 139.6 | 161.6 | -76 | 176.6 | 115.7 | 0 | 0 | 109.9 | ||||
| 48 | H | 30.7 | Very low | 34.6 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | -167.8 | 138.6 | 126.1 | -152.1 | 53.1 | 0 | 0 | 0 | 110.8 | |||||
| 49 | C | 35.9 | Very low | 35.1 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 141.8 | -179.6 | -165.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 50 | I | 37.6 | Very low | 36.1 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -144.8 | 132.4 | 147 | -69.8 | -154.8 | 0 | 0 | 0 | 110.4 | ||||
| 51 | D | 32.4 | Very low | 37.1 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -77.9 | 155.3 | -177.9 | -89.6 | -45.8 | 0 | 0 | 0 | 115.9 | ||||
| 52 | N | 32.2 | Very low | 38.3 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | trans | 59 | 118.7 | 141.9 | -59.6 | -33.7 | 0 | 0 | 0 | 121.9 | ||||
| 53 | N | 31.9 | Very low | 39.9 | Very low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | 178.8 | 123 | 97.4 | -97.7 | -47.4 | 0 | 0 | 0 | 114.5 | |||||
| 54 | I | 41.1 | Very low | 40.6 | Very low | 137 Ų | 137 | 155.3 Ų | 155.3 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | 22.4 | 128.8 | 137.1 | 5.9 | 179.8 | 0 | 0 | 0 | 120.4 | ||||
| 55 | D | 32.9 | Very low | 42 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | -162.7 | 155.3 | 100.2 | -130.8 | -22.4 | 0 | 0 | 0 | 115 | |||||
| 56 | L | 42.1 | Very low | 43.1 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | trans | -55.4 | 148.5 | -173.7 | -94.2 | 61.1 | 0 | 0 | 0 | 117 | ||||
| 57 | Q | 33.8 | Very low | 44.5 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | 160.1 | 122.4 | 94 | -134.3 | 174.4 | -2.2 | 0 | 0 | 114.5 | |||||
| 58 | S | 42.1 | Very low | 45.7 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | 40.6 | 120.9 | 147.8 | 64.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 59 | S | 39.6 | Very low | 46.8 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | -173.1 | 146.1 | 111.8 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 60 | S | 50.3 | Low | 47.2 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -56.7 | 128.2 | -163.5 | 51.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 61 | K | 57.2 | Low | 47.6 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -131.2 | 115.2 | 157.5 | -71.6 | -175.4 | 179.7 | 174.5 | 0 | 109.9 | K63 | K61-K63 PolarHBondContact O-N 2.84Š| ||
| 62 | L | 59.8 | Low | 48 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -57.4 | 126.5 | 175.8 | -60.2 | 166.4 | 0 | 0 | 0 | 110 | ||||
| 63 | K | 64 | Low | 49.1 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -120 | 112.8 | 163.6 | -76.8 | -172 | 175.1 | 178.4 | 0 | 108.4 | K61 V65 | K61-K63 PolarHBondContact O-N 2.84Å; K63-V65 PolarHBondContact O-N 2.8Å | ||
| 64 | L | 51.5 | Low | 49.9 | Very low | 180 Ų | 180 | 150 Ų | 150 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | trans | -70.8 | 115.9 | 171.8 | -128.2 | 89.5 | 0 | 0 | 0 | 108.3 | ||||
| 65 | V | 61.7 | Low | 50.7 | Low | 130 Ų | 130 | 148.6 Ų | 148.6 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | trans | -90.5 | 123.7 | 170.6 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | K63 S67 | K63-V65 PolarHBondContact O-N 2.8Å; V65-S67 PolarHBondContact O-N 2.75Å | ||
| 66 | R | 61.8 | Low | 51.9 | Low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 106.9 | 177.4 | -168.5 | -178.4 | -173.2 | 118.2 | -1 | 108.5 | ||||
| 67 | S | 60.4 | Low | 52.3 | Low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.5 | 175.1 | 45.2 | 0 | 0 | 0 | 0 | 111.6 | V65 | V65-S67 PolarHBondContact O-N 2.75Š|
| 68 | L | 59.8 | Low | 52.7 | Low | 161 Ų | 161 | 144.2 Ų | 144.2 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 136.8 | -178.2 | -154 | 140.9 | 0 | 0 | 0 | 110.3 | V70 | L68-V70 PolarHBondContact O-N 2.61Š|
| 69 | A | 55.3 | Low | 52.4 | Low | 86 Ų | 86 | 143.8 Ų | 143.8 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 121.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 70 | V | 44 | Very low | 52.2 | Low | 124 Ų | 124 | 142.5 Ų | 142.5 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 119.3 | 169 | 173.1 | 0 | 0 | 0 | 0 | 107.3 | L68 | L68-V70 PolarHBondContact O-N 2.61Š|
| 71 | C | 44.8 | Very low | 51.3 | Low | 124 Ų | 124 | 144.7 Ų | 144.7 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -80.2 | 114.9 | 169.6 | -65.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 72 | E | 42.5 | Very low | 50 | Low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -85.5 | 113.1 | 164.2 | -79.6 | -96 | 137.9 | 0 | 0 | 108.2 | ||||
| 73 | E | 54.2 | Low | 48.6 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81 | 117.6 | 173.7 | -178.6 | 176 | 138.3 | 0 | 0 | 108.9 | ||
| 74 | S | 49.1 | Very low | 47 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 135.9 | 179 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 75 | P | 58.7 | Low | 46 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83 | 159.1 | -177.4 | 33.8 | -33.1 | 0 | 0 | 0 | 112.5 | ||
| 76 | P | 56.6 | Low | 44.7 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 150.6 | -176.1 | 32.6 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 77 | P | 51.3 | Low | 43.5 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 145.6 | 176.1 | 31.5 | -30.9 | 0 | 0 | 0 | 112.1 | ||
| 78 | P | 41.8 | Very low | 42.3 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -83 | 163.4 | 178.5 | 34.1 | -33.7 | 0 | 0 | 0 | 113 | ||
| 79 | A | 35.3 | Very low | 41.3 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 164.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 80 | A | 36 | Very low | 40.8 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 73.9 | 145.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 81 | E | 31.4 | Very low | 40.2 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | cis | -175.1 | 154.4 | 13.2 | -132.7 | -174.3 | -173.9 | 0 | 0 | 109.5 | ||||
| 82 | I | 31.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 47.7 | 144.6 | 156.9 | 22.8 | 78.8 | 0 | 0 | 0 | 121.6 | ||||
| 83 | S | 28.8 | Very low | 39.3 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | cis | -172.2 | 151.4 | 33.2 | -159.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 84 | Q | 32.1 | Very low | 38.6 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 56.3 | 146.7 | 144.7 | -73.5 | 164.4 | -24.3 | 0 | 0 | 121 | ||||
| 85 | E | 29.6 | Very low | 37.6 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -175.8 | 123.7 | -1.3 | 167.8 | -178.3 | 173.6 | 0 | 0 | 105.9 | ||||
| 86 | T | 34.1 | Very low | 36.4 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -165.1 | 124.5 | 145.1 | -4.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 87 | Q | 36 | Very low | 35.1 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -81.7 | 145 | -174.1 | -57.3 | -174 | -0.6 | 0 | 0 | 111.5 | ||||
| 88 | E | 35.3 | Very low | 33.9 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | -178.2 | 109.6 | 127.6 | -98.5 | 171.4 | -176.5 | 0 | 0 | 111.4 | |||||
| 89 | K | 38.5 | Very low | 33.2 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | 44 | 125 | 130.6 | -109.9 | -171.2 | 169.4 | -179.4 | 0 | 118.3 | ||||
| 90 | I | 46.3 | Very low | 33.1 | Very low | 135 Ų | 135 | 153 Ų | 153 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | -166.2 | 111.3 | 33.8 | -71.2 | 162.4 | 0 | 0 | 0 | 106.4 | ||||
| 91 | Q | 30.9 | Very low | 32.7 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 49.2 | 118.2 | 102.5 | -148.2 | 168 | 60.9 | 0 | 0 | 115.4 | |||||
| 92 | I | 39.4 | Very low | 32.8 | Very low | 151 Ų | 151 | 156.2 Ų | 156.2 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | -169.4 | 101.7 | 83.1 | -71.3 | 146.8 | 0 | 0 | 0 | 108.6 | |||||
| 93 | Q | 29.4 | Very low | 33 | Very low | 159 Ų | 159 | 158.2 Ų | 158.2 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | 19.4 | 109.7 | 108.6 | -75.5 | -176.4 | 45.5 | 0 | 0 | 116.7 | |||||
| 94 | L | 39.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 160 Ų | 160 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | 43.1 | 118.9 | 80.5 | -158.9 | 80.4 | 0 | 0 | 0 | 114 | |||||
| 95 | T | 28.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | -168.8 | 132.4 | 124.3 | 39.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 96 | Q | 33.5 | Very low | 33.7 | Very low | 151 Ų | 151 | 160.2 Ų | 160.2 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -69.7 | 149.4 | 162.6 | 175.1 | -176.9 | 15.1 | 0 | 0 | 112 | F98 | Q96-F98 HydrophobicContact CG-CD2 4.38Š| ||
| 97 | S | 28.9 | Very low | 33.5 | Very low | 115 Ų | 115 | 160.5 Ų | 160.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -166.6 | 103.1 | 152.5 | -71.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 98 | F | 25 | Very low | 33.6 | Very low | 173 Ų | 173 | 160.2 Ų | 160.2 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | 44.3 | 112.9 | 96.2 | -86.8 | -84.1 | 0 | 0 | 0 | 115.1 | Q96 | Q96-F98 HydrophobicContact CG-CD2 4.38Š| |||
| 99 | E | 26.8 | Very low | 33.6 | Very low | 196 Ų | 196 | 157.9 Ų | 157.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | -179.5 | 166.5 | 104.3 | -93.6 | -170.2 | 144.2 | 0 | 0 | 112.3 | |||||
| 100 | K | 33.9 | Very low | 33.6 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -94.1 | 164.1 | -158.5 | -107.3 | 178.5 | 162.7 | -147.1 | 0 | 114.5 | ||||
| 101 | E | 28.7 | Very low | 33.3 | Very low | 144 Ų | 144 | 159 Ų | 159 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | trans | 83.1 | 122.6 | 139.9 | -79.9 | 175.4 | -157 | 0 | 0 | 123.3 | ||||
| 102 | E | 32 | Very low | 33.6 | Very low | 178 Ų | 178 | 158.8 Ų | 158.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 58.8 | 146.2 | 134.2 | -120.9 | -176.9 | 139.1 | 0 | 0 | 124.9 | ||||
| 103 | K | 36.8 | Very low | 33.7 | Very low | 188 Ų | 188 | 160.4 Ų | 160.4 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -73.9 | -166.1 | -169.7 | -62.1 | 175.7 | 174.4 | 172.9 | 0 | 113.9 | ||||
| 104 | P | 40.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 157.6 Ų | 157.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -124.6 | 162.3 | -55.8 | 31.1 | -14.7 | 0 | 0 | 0 | 111.6 | |||||
| 105 | S | 30.8 | Very low | 34.1 | Very low | 122 Ų | 122 | 155.3 Ų | 155.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -154.5 | 148 | 155.6 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 106 | K | 33.1 | Very low | 34.5 | Very low | 203 Ų | 203 | 155.3 Ų | 155.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -48.1 | 152.2 | 176.3 | -61 | 164.7 | 177.4 | 176.7 | 0 | 111.3 | ||||
| 107 | D | 29.9 | Very low | 35.5 | Very low | 154 Ų | 154 | 157.3 Ų | 157.3 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | -175.5 | 162.1 | 65 | -161.2 | 4.4 | 0 | 0 | 0 | 109.7 | |||||
| 108 | E | 37.1 | Very low | 36.4 | Very low | 163 Ų | 163 | 159.2 Ų | 159.2 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -62.2 | 159.5 | -178.5 | -62.9 | -151.4 | 143.9 | 0 | 0 | 114.7 | ||||
| 109 | T | 35.6 | Very low | 37.4 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | -178.2 | 132.3 | 118.4 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 110 | D | 38.6 | Very low | 38.5 | Very low | 140 Ų | 140 | 157.5 Ų | 157.5 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -49.2 | 146.2 | 173.5 | -71.4 | -63.4 | 0 | 0 | 0 | 116.1 | ||||
| 111 | K | 39.5 | Very low | 39.3 | Very low | 213 Ų | 213 | 158.5 Ų | 158.5 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | -176.4 | 142.2 | 118.9 | -100.6 | 172.7 | -175.8 | 179.2 | 0 | 114.8 | |||||
| 112 | E | 38.8 | Very low | 40 | Very low | 161 Ų | 161 | 159 Ų | 159 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -68.7 | 160.1 | -175.7 | -80.2 | -173.2 | 159.8 | 0 | 0 | 117.3 | ||||
| 113 | K | 41 | Very low | 40.9 | Very low | 184 Ų | 184 | 157.6 Ų | 157.6 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | 75.1 | 114.1 | 150 | -75.4 | 172.5 | -166.6 | -175.5 | 0 | 119.3 | ||||
| 114 | A | 36.4 | Very low | 41.4 | Very low | 100 Ų | 100 | 153.6 Ų | 153.6 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | 172.2 | 144.9 | 92.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 115 | S | 40.4 | Very low | 42 | Very low | 109 Ų | 109 | 157.8 Ų | 157.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -57.6 | 137.5 | 174.2 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 116 | D | 36.6 | Very low | 42.7 | Very low | 135 Ų | 135 | 156.5 Ų | 156.5 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | -167.5 | 162.7 | 118.2 | -127.4 | -40.8 | 0 | 0 | 0 | 112.7 | |||||
| 117 | K | 53.9 | Low | 43.5 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -66.4 | 119.4 | -152.6 | -64.4 | 154.7 | -173.5 | -174.2 | 0 | 115.6 | ||||
| 118 | L | 48.2 | Very low | 44.5 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -99.5 | 134.6 | 149.7 | -76.6 | 164.6 | 0 | 0 | 0 | 108.2 | R120 | L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.88Å | ||
| 119 | P | 47 | Very low | 45.2 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -68.6 | 95.9 | 174.1 | 29.5 | -29.3 | 0 | 0 | 0 | 106.5 | K121 | P119-K121 VanDerWaalsContact C-N 3.34Å; P119-K121 PolarHBondContact O-N 3.24Å | ||
| 120 | R | 49.8 | Very low | 46.8 | Very low | 216 Ų | 216 | 144.8 Ų | 144.8 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | trans | -53.5 | 110.2 | 158.3 | -69.4 | -177.9 | -164.4 | 157.4 | 4.2 | 104.2 | L118 M122 | L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.88Å; R120-M122 HydrophobicContact CB-CG 4.11Å; R120-M122 PolarHBondContact O-N 3.04Å | ||
| 121 | K | 49.8 | Very low | 48.8 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -61.3 | 81.5 | 158.1 | -71.2 | -170.9 | 178.4 | -175.5 | 0 | 105.6 | P119 L123 | P119-K121 VanDerWaalsContact C-N 3.34Å; P119-K121 PolarHBondContact O-N 3.24Å; K121-L123 PolarHBondContact O-N 3.41Å | ||
| 122 | M | 43 | Very low | 51 | Low | 155 Ų | 155 | 133 Ų | 133 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | trans | -66.8 | 85 | 155.1 | -60 | -144.1 | 72.5 | 0 | 0 | 103.4 | R120 S124 | R120-M122 HydrophobicContact CB-CG 4.11Å; R120-M122 PolarHBondContact O-N 3.04Å; M122-S124 PolarHBondContact O-N 3.14Å | ||
| 123 | L | 52 | Low | 53.3 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 78% | 0.78 | 65% | 0.652 | S | S | * | * | trans | -61 | 94.5 | 144.7 | -62.5 | -178.7 | 0 | 0 | 0 | 102.6 | K121 R125 | K121-L123 PolarHBondContact O-N 3.41Å; L123-R125 PolarHBondContact O-N 3.18Å | ||
| 124 | S | 46.6 | Very low | 55.2 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | -42.7 | 101.1 | 148 | -178.8 | 0 | 0 | 0 | 0 | 103.3 | M122 D126 | M122-S124 PolarHBondContact O-N 3.14Å; S124-D126 PolarHBondContact O-N 3.04Å | ||
| 125 | R | 54 | Low | 57.6 | Low | 210 Ų | 210 | 123.8 Ų | 123.8 | 79% | 0.792 | 65% | 0.646 | S | S | * | * | trans | -69.7 | 82.4 | 175.6 | 178.7 | 167.5 | 176.5 | 168.6 | -3.1 | 102.5 | L123 S127 | L123-R125 PolarHBondContact O-N 3.18Å; R125-S127 PolarHBondContact O-N 2.94Å | ||
| 126 | D | 44.7 | Very low | 59.7 | Low | 94 Ų | 94 | 121.2 Ų | 121.2 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | trans | -51.9 | 128.5 | -176.6 | -178.1 | 16.3 | 0 | 0 | 0 | 106.3 | S124 S128 Q129 | S124-D126 PolarHBondContact O-N 3.04Å; D126-S128 PolarHBondContact O-N 3.08Å; D126-S128 WeakPolarHBondContact OD2-CB 3.47Å; D126-S128 PolarHBondContact OD2-OG 3.18Å; D126-Q129 PolarHBondContact O-N 3.17Å | ||
| 127 | S | 49.8 | Very low | 62.3 | Low | 101 Ų | 101 | 117.4 Ų | 117.4 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -58.2 | -10.3 | -176.2 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | R125 Q129 | R125-S127 PolarHBondContact O-N 2.94Å; S127-Q129 VanDerWaalsContact C-N 3.34Å |
| 128 | S | 51.7 | Low | 64.2 | Low | 51 Ų | 51 | 110.9 Ų | 110.9 | 36% | 0.357 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -71.1 | -18.2 | 174.4 | 64.5 | 0 | 0 | 0 | 0 | 114.9 | D126 E130 Y131 | D126-S128 PolarHBondContact O-N 3.08Å; D126-S128 WeakPolarHBondContact OD2-CB 3.47Å; D126-S128 PolarHBondContact OD2-OG 3.18Å; S128-E130 PolarHBondContact O-N 3.03Å; S128-E130 VanDerWaalsContact O-N 3.14Å; S128-Y131 PolarHBondContact O-N 3.46Å |
| 129 | Q | 52.9 | Low | 66.3 | Low | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -66.8 | -18.4 | -174.7 | -156.2 | 106.9 | 41.4 | 0 | 0 | 113.7 | D126 S127 Y131 | D126-Q129 PolarHBondContact O-N 3.17Å; S127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-Y131 PolarHBondContact O-N 2.89Å |
| 130 | E | 67.2 | Low | 68.4 | Low | 127 Ų | 127 | 100.9 Ų | 100.9 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -74.9 | -12.3 | 178.1 | -80.7 | 175.8 | -170.9 | 0 | 0 | 113.7 | S128 R218 | S128-E130 PolarHBondContact O-N 3.03Å; S128-E130 VanDerWaalsContact O-N 3.14Å; E130-R218 IonicContact OE2-NH1 2.91Å |
| 131 | Y | 81.3 | Confident | 70.5 | Confident | 47 Ų | 47 | 97 Ų | 97 | 18% | 0.184 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -114.4 | 18.2 | -176.9 | -64.2 | -68.8 | 0 | 0 | 0 | 113.4 | S128 Q129 L139 Y195 | S128-Y131 PolarHBondContact O-N 3.46Å; Q129-Y131 PolarHBondContact O-N 2.89Å; Y131-L139 WeakPolarHBondContact O-CA 3.15Å; Y131-L139 WeakPolarHBondContact O-CB 3.08Å; Y131-L139 WeakPolarHBondContact O-CD1 3.49Å; Y131-L139 WeakPolarHBondContact O-CG 3.21Å; Y131-L139 PolarHBondContact O-N 3.34Å; Y131-Y195 AromaticContact CD1-CD2 3.42Å; Y131-Y195 HydrophobicContact CD1-CD2 3.42Å; Y131-Y195 VanDerWaalsContact CD1-CD2 3.42Å; Y131-Y195 AromaticContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CG 4.45Å; Y131-Y195 AromaticContact CE1-CD2 3.78Å; Y131-Y195 HydrophobicContact CE1-CD2 3.78Å; Y131-Y195 AromaticContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CE1-CE2 3.45Å; Y131-Y195 VanDerWaalsContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CG-CD2 4.48Å; Y131-Y195 HydrophobicContact CG-CE2 4.3Å |
| 132 | T | 85.5 | Confident | 72.6 | Confident | 59 Ų | 59 | 89.3 Ų | 89.3 | 36% | 0.362 | 49% | 0.487 | S | S | . | . | B | Isolated β-bridge | trans | -98.7 | 134.3 | 175.9 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | G136 I137 | T132-G136 VanDerWaalsContact CG2-C 3.45Å; T132-I137 WeakPolarHBondContact CA-O 3.38Å |
| 133 | D | 87.1 | Confident | 75 | Confident | 23 Ų | 23 | 82.1 Ų | 82.1 | 12% | 0.123 | 45% | 0.451 | C | S | . | . | trans | -80.2 | 173.7 | 175.2 | 83.7 | -6.5 | 0 | 0 | 0 | 113.3 | T135 G136 I137 L139 R191 | D133-T135 PolarHBondContact O-N 2.94Å; D133-T135 VanDerWaalsContact O-N 3.08Å; D133-T135 WeakPolarHBondContact OD1-CA 3.13Å; D133-T135 WeakPolarHBondContact OD1-CB 3.38Å; D133-T135 PolarHBondContact OD1-N 3.19Å; D133-T135 PolarHBondContact OD1-OG1 2.77Å; D133-T135 PolarHBondContact OD2-OG1 3.01Å; D133-G136 PolarHBondContact O-N 3.28Å; D133-G136 PolarHBondContact OD1-N 3.41Å; D133-I137 PolarHBondContact N-O 3.36Å; D133-I137 WeakPolarHBondContact OD1-CB 3.5Å; D133-I137 PolarHBondContact OD1-N 2.83Å; D133-L139 HydrophobicContact CB-CD1 4.47Å; D133-L139 HydrophobicContact CB-CD2 3.78Å; D133-L139 HydrophobicContact CB-CG 4.15Å; D133-R191 IonicContact OD2-NE 3.56Å | ||
| 134 | S | 81.4 | Confident | 76.9 | Confident | 123 Ų | 123 | 75.9 Ų | 75.9 | 86% | 0.86 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.5 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 135 | T | 86.8 | Confident | 79.2 | Confident | 104 Ų | 104 | 75 Ų | 75 | 64% | 0.638 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8.5 | 175.1 | -34.5 | 0 | 0 | 0 | 0 | 111.8 | D133 I137 | D133-T135 PolarHBondContact O-N 2.94Å; D133-T135 VanDerWaalsContact O-N 3.08Å; D133-T135 WeakPolarHBondContact OD1-CA 3.13Å; D133-T135 WeakPolarHBondContact OD1-CB 3.38Å; D133-T135 PolarHBondContact OD1-N 3.19Å; D133-T135 PolarHBondContact OD1-OG1 2.77Å; D133-T135 PolarHBondContact OD2-OG1 3.01Å; T135-I137 HydrophobicContact CG2-CD1 4.05Å; T135-I137 HydrophobicContact CG2-CG1 4.4Å |
| 136 | G | 85.5 | Confident | 81.1 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 85.6 | 14.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T132 D133 | T132-G136 VanDerWaalsContact CG2-C 3.45Å; D133-G136 PolarHBondContact O-N 3.28Å; D133-G136 PolarHBondContact OD1-N 3.41Å |
| 137 | I | 90.5 | Very high | 83.4 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 28% | 0.277 | 35% | 0.346 | S | S | . | . | trans | -88.2 | 135.4 | -178.6 | -59.1 | 166.9 | 0 | 0 | 0 | 109.2 | T132 D133 T135 L139 F142 | T132-I137 WeakPolarHBondContact CA-O 3.38Å; D133-I137 PolarHBondContact N-O 3.36Å; D133-I137 WeakPolarHBondContact OD1-CB 3.5Å; D133-I137 PolarHBondContact OD1-N 2.83Å; T135-I137 HydrophobicContact CG2-CD1 4.05Å; T135-I137 HydrophobicContact CG2-CG1 4.4Å; I137-L139 PolarHBondContact O-N 2.91Å; I137-F142 HydrophobicContact CG2-CB 4.18Å | ||
| 138 | D | 93.3 | Very high | 85.3 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 111.7 | 168.2 | -179.3 | 39.5 | 0 | 0 | 0 | 110.1 | H140 E141 F142 | D138-H140 VanDerWaalsContact C-N 3.29Å; D138-H140 PolarHBondContact O-N 2.93Å; D138-E141 HydrophobicContact CB-CB 4.13Å; D138-E141 WeakPolarHBondContact OD2-CB 3.35Å; D138-E141 PolarHBondContact OD2-N 3.17Å; D138-F142 WeakPolarHBondContact O-CB 3.48Å; D138-F142 PolarHBondContact O-N 3.2Å |
| 139 | L | 92.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | -177.6 | -68.1 | 169.8 | 0 | 0 | 0 | 110.9 | Y131 D133 I137 F142 L143 R191 A194 Y195 | Y131-L139 WeakPolarHBondContact O-CA 3.15Å; Y131-L139 WeakPolarHBondContact O-CB 3.08Å; Y131-L139 WeakPolarHBondContact O-CD1 3.49Å; Y131-L139 WeakPolarHBondContact O-CG 3.21Å; Y131-L139 PolarHBondContact O-N 3.34Å; D133-L139 HydrophobicContact CB-CD1 4.47Å; D133-L139 HydrophobicContact CB-CD2 3.78Å; D133-L139 HydrophobicContact CB-CG 4.15Å; I137-L139 PolarHBondContact O-N 2.91Å; L139-F142 PolarHBondContact O-N 3.18Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CD1 3.12Å; L139-L143 WeakPolarHBondContact O-CG 3.5Å; L139-L143 PolarHBondContact O-N 2.84Å; L139-R191 HydrophobicContact CD2-CB 3.7Å; L139-R191 HydrophobicContact CD2-CG 3.87Å; L139-A194 HydrophobicContact CD1-CB 3.65Å; L139-A194 HydrophobicContact CD2-CB 4.44Å; L139-Y195 HydrophobicContact CB-CD2 4.06Å |
| 140 | H | 91.6 | Very high | 89.1 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -53.5 | -178.1 | -174.9 | 76.5 | 0 | 0 | 0 | 110.5 | D138 F142 L143 V144 Y195 Q222 H227 | D138-H140 VanDerWaalsContact C-N 3.29Å; D138-H140 PolarHBondContact O-N 2.93Å; H140-F142 VanDerWaalsContact C-N 3.3Å; H140-F142 PolarHBondContact O-N 2.66Å; H140-L143 PolarHBondContact O-N 2.83Å; H140-V144 WeakPolarHBondContact O-CB 3.35Å; H140-V144 VanDerWaalsContact O-CG2 3.3Å; H140-V144 WeakPolarHBondContact O-CG2 3.1Å; H140-V144 PolarHBondContact O-N 3.38Å; H140-Y195 HydrophobicContact CB-CE2 4.26Å; H140-Q222 PolarHBondContact CE1-OE1 2.66Å; H140-H227 AromaticContact CE1-NE2 3.93Å |
| 141 | E | 92.8 | Very high | 90.2 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -53.7 | -47.4 | 174 | -177.6 | 179.5 | -176.7 | 0 | 0 | 111.6 | D138 L143 V144 N145 | D138-E141 HydrophobicContact CB-CB 4.13Å; D138-E141 WeakPolarHBondContact OD2-CB 3.35Å; D138-E141 PolarHBondContact OD2-N 3.17Å; E141-L143 PolarHBondContact O-N 3.3Å; E141-V144 PolarHBondContact O-N 3.03Å; E141-N145 WeakPolarHBondContact O-CB 3.44Å; E141-N145 PolarHBondContact O-N 2.73Å |
| 142 | F | 94.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 66.2 Ų | 66.2 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 179.3 | 172 | -101.1 | 0 | 0 | 0 | 112.7 | I137 D138 L139 H140 T146 M187 L188 R191 | I137-F142 HydrophobicContact CG2-CB 4.18Å; D138-F142 WeakPolarHBondContact O-CB 3.48Å; D138-F142 PolarHBondContact O-N 3.2Å; L139-F142 PolarHBondContact O-N 3.18Å; H140-F142 VanDerWaalsContact C-N 3.3Å; H140-F142 PolarHBondContact O-N 2.66Å; F142-T146 WeakPolarHBondContact CE2-OG1 3.49Å; F142-T146 VanDerWaalsContact CZ-OG1 3.29Å; F142-T146 WeakPolarHBondContact CZ-OG1 3.5Å; F142-T146 VanDerWaalsContact O-CB 3.29Å; F142-T146 WeakPolarHBondContact O-CB 3.39Å; F142-T146 PolarHBondContact O-N 2.99Å; F142-T146 PolarHBondContact O-OG1 3.14Å; F142-M187 HydrophobicContact CZ-CE 4.1Å; F142-L188 HydrophobicContact CE1-CD2 3.95Å; F142-L188 HydrophobicContact CZ-CD2 3.79Å; F142-R191 HydrophobicContact CD1-CB 4.42Å; F142-R191 VanDerWaalsContact CD1-CD 3.41Å; F142-R191 HydrophobicContact CE1-CB 4.39Å |
| 143 | L | 93.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65 | -47.2 | -178.4 | -71.8 | 167.1 | 0 | 0 | 0 | 110.6 | L139 H140 E141 N145 T146 L147 L157 V192 Y195 F224 | L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CD1 3.12Å; L139-L143 WeakPolarHBondContact O-CG 3.5Å; L139-L143 PolarHBondContact O-N 2.84Å; H140-L143 PolarHBondContact O-N 2.83Å; E141-L143 PolarHBondContact O-N 3.3Å; L143-N145 PolarHBondContact O-N 2.86Å; L143-T146 PolarHBondContact O-N 2.99Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 WeakPolarHBondContact O-CD1 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.29Å; L143-L147 PolarHBondContact O-N 3.29Å; L143-L157 HydrophobicContact CD2-CD1 4.32Å; L143-L157 HydrophobicContact CD2-CD2 3.79Å; L143-V192 HydrophobicContact CD2-CG2 3.88Å; L143-Y195 HydrophobicContact CD1-CD1 3.83Å; L143-Y195 HydrophobicContact CD1-CD2 3.69Å; L143-Y195 HydrophobicContact CD1-CE1 4.29Å; L143-Y195 HydrophobicContact CD1-CE2 4.2Å; L143-Y195 HydrophobicContact CD1-CG 3.51Å; L143-F224 HydrophobicContact CD1-CE1 3.88Å; L143-F224 HydrophobicContact CD1-CZ 3.87Å; L143-F224 HydrophobicContact CD2-CE1 4.46Å; L143-F224 HydrophobicContact CD2-CE2 4.42Å; L143-F224 HydrophobicContact CD2-CZ 3.93Å; L143-F224 HydrophobicContact CG-CZ 4.42Å |
| 144 | V | 92.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | H140 E141 K148 H227 | H140-V144 WeakPolarHBondContact O-CB 3.35Å; H140-V144 VanDerWaalsContact O-CG2 3.3Å; H140-V144 WeakPolarHBondContact O-CG2 3.1Å; H140-V144 PolarHBondContact O-N 3.38Å; E141-V144 PolarHBondContact O-N 3.03Å; V144-K148 HydrophobicContact CG1-CD 4.03Å; V144-K148 WeakPolarHBondContact O-CB 3.43Å; V144-K148 VanDerWaalsContact O-CG 3.32Å; V144-K148 WeakPolarHBondContact O-CG 3.14Å; V144-K148 PolarHBondContact O-N 3.36Å; V144-K148 VanDerWaalsContact O-N 3.11Å; V144-H227 VanDerWaalsContact CG2-CD2 3.44Å; V144-H227 WeakPolarHBondContact CG2-CD2 3.3Å; V144-H227 VanDerWaalsContact CG2-NE2 3.26Å; V144-H227 WeakPolarHBondContact CG2-NE2 3.26Å |
| 145 | N | 93.7 | Very high | 92 | Very high | 86 Ų | 86 | 66.8 Ų | 66.8 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 177.2 | -173.3 | 58.9 | 0 | 0 | 0 | 111.5 | E141 L143 K148 N149 | E141-N145 WeakPolarHBondContact O-CB 3.44Å; E141-N145 PolarHBondContact O-N 2.73Å; L143-N145 PolarHBondContact O-N 2.86Å; N145-K148 PolarHBondContact O-N 3.47Å; N145-N149 WeakPolarHBondContact O-CB 3.46Å; N145-N149 PolarHBondContact O-N 2.88Å; N145-N149 PolarHBondContact O-ND2 3.34Å; N145-N149 PolarHBondContact OD1-ND2 3.41Å |
| 146 | T | 93.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | F142 L143 K148 N150 D153 L157 | F142-T146 WeakPolarHBondContact CE2-OG1 3.49Å; F142-T146 VanDerWaalsContact CZ-OG1 3.29Å; F142-T146 WeakPolarHBondContact CZ-OG1 3.5Å; F142-T146 VanDerWaalsContact O-CB 3.29Å; F142-T146 WeakPolarHBondContact O-CB 3.39Å; F142-T146 PolarHBondContact O-N 2.99Å; F142-T146 PolarHBondContact O-OG1 3.14Å; L143-T146 PolarHBondContact O-N 2.99Å; T146-K148 VanDerWaalsContact C-N 3.27Å; T146-K148 PolarHBondContact O-N 2.73Å; T146-N150 HydrophobicContact CG2-CB 4.47Å; T146-N150 PolarHBondContact O-N 3.44Å; T146-D153 HydrophobicContact CG2-CB 3.57Å; T146-L157 HydrophobicContact CG2-CD1 3.8Å |
| 147 | L | 93.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 176.6 | -74.9 | 165.4 | 0 | 0 | 0 | 112.1 | L143 R154 L157 F224 H227 | L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 WeakPolarHBondContact O-CD1 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.29Å; L143-L147 PolarHBondContact O-N 3.29Å; L147-R154 HydrophobicContact CD2-CG 4.24Å; L147-R154 VanDerWaalsContact O-CZ 3.27Å; L147-R154 PolarHBondContact O-NE 2.94Å; L147-R154 PolarHBondContact O-NH2 3.44Å; L147-L157 HydrophobicContact CD2-CB 3.95Å; L147-L157 HydrophobicContact CD2-CD1 3.83Å; L147-L157 HydrophobicContact CG-CD1 3.83Å; L147-F224 HydrophobicContact CD1-CB 3.68Å; L147-F224 HydrophobicContact CD1-CD1 4.05Å; L147-F224 HydrophobicContact CD1-CG 3.89Å; L147-F224 HydrophobicContact CD2-CB 4.01Å; L147-F224 HydrophobicContact CD2-CG 4.5Å; L147-H227 HydrophobicContact CD1-CB 4.15Å |
| 148 | K | 90.3 | Very high | 93.2 | Very high | 110 Ų | 110 | 60.3 Ų | 60.3 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -77.5 | -45.9 | -179.8 | -73.1 | 173 | -178.9 | 170.5 | 0 | 112.7 | V144 N145 T146 R154 | V144-K148 HydrophobicContact CG1-CD 4.03Å; V144-K148 WeakPolarHBondContact O-CB 3.43Å; V144-K148 VanDerWaalsContact O-CG 3.32Å; V144-K148 WeakPolarHBondContact O-CG 3.14Å; V144-K148 PolarHBondContact O-N 3.36Å; V144-K148 VanDerWaalsContact O-N 3.11Å; N145-K148 PolarHBondContact O-N 3.47Å; T146-K148 VanDerWaalsContact C-N 3.27Å; T146-K148 PolarHBondContact O-N 2.73Å; K148-R154 PolarHBondContact O-NH2 2.91Å |
| 149 | N | 90.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -91 | -25.2 | -168 | -62.1 | -37.4 | 0 | 0 | 0 | 114.6 | N145 | N145-N149 WeakPolarHBondContact O-CB 3.46Å; N145-N149 PolarHBondContact O-N 2.88Å; N145-N149 PolarHBondContact O-ND2 3.34Å; N145-N149 PolarHBondContact OD1-ND2 3.41Å |
| 150 | N | 92.3 | Very high | 93.5 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | trans | -120 | 101.4 | -171.9 | -69.5 | -45.2 | 0 | 0 | 0 | 111.6 | T146 R152 D153 R154 | T146-N150 HydrophobicContact CG2-CB 4.47Å; T146-N150 PolarHBondContact O-N 3.44Å; N150-R152 VanDerWaalsContact C-N 3.32Å; N150-R152 PolarHBondContact O-N 3.45Å; N150-D153 HydrophobicContact CB-CB 3.76Å; N150-D153 PolarHBondContact O-N 3.23Å; N150-R154 WeakPolarHBondContact O-CB 3.34Å; N150-R154 PolarHBondContact O-N 3.44Å | ||
| 151 | P | 90.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 47% | 0.474 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.8 | -30.5 | -177.4 | 25.6 | -33.9 | 0 | 0 | 0 | 113.1 | R154 M155 | P151-R154 WeakPolarHBondContact O-CB 3.4Å; P151-M155 PolarHBondContact O-N 3.03Å |
| 152 | R | 91.8 | Very high | 93.8 | Very high | 224 Ų | 224 | 60 Ų | 60 | 85% | 0.845 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66 | -45.8 | 174.1 | -68.2 | -173.1 | -179.6 | -179.4 | 1.5 | 111.3 | N150 R154 M155 M156 | N150-R152 VanDerWaalsContact C-N 3.32Å; N150-R152 PolarHBondContact O-N 3.45Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R152-M155 PolarHBondContact O-N 3.4Å; R152-M156 PolarHBondContact O-N 2.96Å |
| 153 | D | 94.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.2 | -32.3 | -179.2 | -62.7 | -11.1 | 0 | 0 | 0 | 111.2 | T146 N150 M155 M156 L157 Y184 | T146-D153 HydrophobicContact CG2-CB 3.57Å; N150-D153 HydrophobicContact CB-CB 3.76Å; N150-D153 PolarHBondContact O-N 3.23Å; D153-M155 VanDerWaalsContact C-N 3.33Å; D153-M155 PolarHBondContact O-N 2.92Å; D153-M156 CarbonylContact O-C 3.56Å; D153-M156 WeakPolarHBondContact O-CB 3.4Å; D153-M156 PolarHBondContact O-N 2.9Å; D153-M156 VanDerWaalsContact O-N 3.1Å; D153-L157 WeakPolarHBondContact O-CB 3.3Å; D153-L157 WeakPolarHBondContact O-CG 3.45Å; D153-L157 PolarHBondContact O-N 2.78Å; D153-Y184 WeakPolarHBondContact OD1-CE1 3.4Å; D153-Y184 PolarHBondContact OD2-OH 3.43Å |
| 154 | R | 94.4 | Very high | 93.9 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.8 | -50.2 | 171.4 | 178.6 | -171.7 | -68.9 | 176.4 | 3.1 | 111.7 | L147 K148 N150 P151 R152 M156 L157 L158 I228 | L147-R154 HydrophobicContact CD2-CG 4.24Å; L147-R154 VanDerWaalsContact O-CZ 3.27Å; L147-R154 PolarHBondContact O-NE 2.94Å; L147-R154 PolarHBondContact O-NH2 3.44Å; K148-R154 PolarHBondContact O-NH2 2.91Å; N150-R154 WeakPolarHBondContact O-CB 3.34Å; N150-R154 PolarHBondContact O-N 3.44Å; P151-R154 WeakPolarHBondContact O-CB 3.4Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R154-M156 VanDerWaalsContact C-N 3.29Å; R154-M156 PolarHBondContact O-N 3.16Å; R154-L157 PolarHBondContact O-N 3.44Å; R154-L158 HydrophobicContact CG-CD1 4.35Å; R154-L158 WeakPolarHBondContact O-CG 3.29Å; R154-L158 PolarHBondContact O-N 3.2Å; R154-I228 HydrophobicContact CG-CD1 3.43Å; R154-I228 VanDerWaalsContact CG-CD1 3.43Å; R154-I228 HydrophobicContact CG-CG1 3.88Å |
| 155 | M | 94.1 | Very high | 94 | Very high | 137 Ų | 137 | 61 Ų | 61 | 68% | 0.675 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.8 | -42.7 | 176.8 | -174.8 | 62.6 | 67.8 | 0 | 0 | 111.5 | P151 R152 D153 K159 | P151-M155 PolarHBondContact O-N 3.03Å; R152-M155 PolarHBondContact O-N 3.4Å; D153-M155 VanDerWaalsContact C-N 3.33Å; D153-M155 PolarHBondContact O-N 2.92Å; M155-K159 WeakPolarHBondContact O-CB 3.43Å; M155-K159 PolarHBondContact O-N 2.85Å; M155-K159 VanDerWaalsContact O-N 3.15Å |
| 156 | M | 95.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 179.2 | -171.2 | 66.1 | -166.8 | 0 | 0 | 112.1 | R152 D153 R154 K159 L160 M181 H185 L188 | R152-M156 PolarHBondContact O-N 2.96Å; D153-M156 CarbonylContact O-C 3.56Å; D153-M156 WeakPolarHBondContact O-CB 3.4Å; D153-M156 PolarHBondContact O-N 2.9Å; D153-M156 VanDerWaalsContact O-N 3.1Å; R154-M156 VanDerWaalsContact C-N 3.29Å; R154-M156 PolarHBondContact O-N 3.16Å; M156-K159 WeakPolarHBondContact O-CB 3.31Å; M156-K159 PolarHBondContact O-N 3.33Å; M156-L160 HydrophobicContact CE-CD1 4.05Å; M156-L160 HydrophobicContact CE-CD2 3.85Å; M156-L160 HydrophobicContact CE-CG 3.92Å; M156-L160 HydrophobicContact CG-CD1 4.35Å; M156-L160 WeakPolarHBondContact O-CG 3.42Å; M156-L160 PolarHBondContact O-N 3.47Å; M156-M181 HydrophobicContact CE-SD 3.9Å; M156-H185 HydrophobicContact CE-CB 4.11Å; M156-L188 HydrophobicContact CG-CD1 4.25Å |
| 157 | L | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 179.9 | -75.8 | 175 | 0 | 0 | 0 | 111.9 | L143 T146 L147 D153 R154 K159 L160 E161 L188 V192 F224 | L143-L157 HydrophobicContact CD2-CD1 4.32Å; L143-L157 HydrophobicContact CD2-CD2 3.79Å; T146-L157 HydrophobicContact CG2-CD1 3.8Å; L147-L157 HydrophobicContact CD2-CB 3.95Å; L147-L157 HydrophobicContact CD2-CD1 3.83Å; L147-L157 HydrophobicContact CG-CD1 3.83Å; D153-L157 WeakPolarHBondContact O-CB 3.3Å; D153-L157 WeakPolarHBondContact O-CG 3.45Å; D153-L157 PolarHBondContact O-N 2.78Å; R154-L157 PolarHBondContact O-N 3.44Å; L157-K159 VanDerWaalsContact C-N 3.28Å; L157-K159 PolarHBondContact O-N 2.99Å; L157-L160 PolarHBondContact O-N 3.37Å; L157-E161 WeakPolarHBondContact O-CB 3.42Å; L157-E161 PolarHBondContact O-N 2.9Å; L157-L188 HydrophobicContact CD2-CB 4.5Å; L157-L188 HydrophobicContact CD2-CD2 4.37Å; L157-V192 HydrophobicContact CD2-CG2 3.48Å; L157-V192 VanDerWaalsContact CD2-CG2 3.48Å; L157-F224 HydrophobicContact CB-CD2 4.02Å; L157-F224 HydrophobicContact CB-CE2 4.24Å; L157-F224 HydrophobicContact CD2-CE2 4.43Å |
| 158 | L | 94.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 62.4 Ų | 62.4 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 174.2 | -71.8 | 172.3 | 0 | 0 | 0 | 111.5 | R154 E161 Q162 F224 N225 I228 | R154-L158 HydrophobicContact CG-CD1 4.35Å; R154-L158 WeakPolarHBondContact O-CG 3.29Å; R154-L158 PolarHBondContact O-N 3.2Å; L158-E161 PolarHBondContact O-N 3.24Å; L158-Q162 PolarHBondContact O-N 3.06Å; L158-Q162 VanDerWaalsContact O-N 3.12Å; L158-F224 HydrophobicContact CD2-CB 4.01Å; L158-N225 HydrophobicContact CD2-CB 4.06Å; L158-I228 HydrophobicContact CD1-CD1 3.61Å; L158-I228 HydrophobicContact CD2-CD1 3.91Å; L158-I228 HydrophobicContact CG-CD1 4Å |
| 159 | K | 95.8 | Very high | 94.2 | Very high | 124 Ų | 124 | 60.1 Ų | 60.1 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 176.3 | -174.7 | 179.1 | 177.8 | -175.5 | 0 | 111.8 | M155 M156 L157 Q162 E163 | M155-K159 WeakPolarHBondContact O-CB 3.43Å; M155-K159 PolarHBondContact O-N 2.85Å; M155-K159 VanDerWaalsContact O-N 3.15Å; M156-K159 WeakPolarHBondContact O-CB 3.31Å; M156-K159 PolarHBondContact O-N 3.33Å; L157-K159 VanDerWaalsContact C-N 3.28Å; L157-K159 PolarHBondContact O-N 2.99Å; K159-Q162 PolarHBondContact O-N 2.87Å; K159-E163 WeakPolarHBondContact CE-OE1 3.45Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 PolarHBondContact O-N 2.83Å |
| 160 | L | 96.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 178.7 | -70.3 | 179.6 | 0 | 0 | 0 | 112.3 | M156 L157 E163 I164 F178 L188 L189 | M156-L160 HydrophobicContact CE-CD1 4.05Å; M156-L160 HydrophobicContact CE-CD2 3.85Å; M156-L160 HydrophobicContact CE-CG 3.92Å; M156-L160 HydrophobicContact CG-CD1 4.35Å; M156-L160 WeakPolarHBondContact O-CG 3.42Å; M156-L160 PolarHBondContact O-N 3.47Å; L157-L160 PolarHBondContact O-N 3.37Å; L160-E163 PolarHBondContact O-N 3.38Å; L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 2.8Å; L160-F178 HydrophobicContact CD2-CE1 4.39Å; L160-L188 HydrophobicContact CD1-CB 4.21Å; L160-L189 HydrophobicContact CD1-CB 4.08Å; L160-L189 HydrophobicContact CD2-CD1 4.11Å |
| 161 | E | 95.3 | Very high | 93.8 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56 | -51 | 173.5 | 179.6 | -180 | -146.6 | 0 | 0 | 110.6 | L157 L158 I164 L165 F196 K223 F224 | L157-E161 WeakPolarHBondContact O-CB 3.42Å; L157-E161 PolarHBondContact O-N 2.9Å; L158-E161 PolarHBondContact O-N 3.24Å; E161-I164 PolarHBondContact O-N 2.92Å; E161-L165 HydrophobicContact CG-CD1 3.87Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CB 3.21Å; E161-L165 VanDerWaalsContact O-CG 3.27Å; E161-L165 WeakPolarHBondContact O-CG 3.43Å; E161-L165 PolarHBondContact O-N 2.69Å; E161-F196 HydrophobicContact CG-CZ 4.11Å; E161-K223 WeakPolarHBondContact OE1-CA 3.3Å; E161-K223 WeakPolarHBondContact OE1-CD 3.28Å; E161-F224 HydrophobicContact CB-CD2 3.63Å; E161-F224 HydrophobicContact CB-CE2 3.82Å; E161-F224 HydrophobicContact CB-CG 4.41Å; E161-F224 HydrophobicContact CG-CD2 4.15Å; E161-F224 HydrophobicContact CG-CE2 4.42Å; E161-F224 HydrophobicContact CG-CG 4.48Å; E161-F224 PolarHBondContact OE1-N 2.89Å; E161-F224 VanDerWaalsContact OE2-CB 3.3Å; E161-F224 WeakPolarHBondContact OE2-CB 3.48Å; E161-F224 PolarHBondContact OE2-N 3.49Å |
| 162 | Q | 95.9 | Very high | 93.6 | Very high | 104 Ų | 104 | 66.3 Ų | 66.3 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 178.3 | -170.9 | 63.5 | 53.5 | 0 | 0 | 111.7 | L158 K159 I164 L165 D166 | L158-Q162 PolarHBondContact O-N 3.06Å; L158-Q162 VanDerWaalsContact O-N 3.12Å; K159-Q162 PolarHBondContact O-N 2.87Å; Q162-I164 PolarHBondContact O-N 3.47Å; Q162-L165 PolarHBondContact O-N 3Å; Q162-D166 PolarHBondContact NE2-OD1 3.11Å; Q162-D166 WeakPolarHBondContact O-CB 3.32Å; Q162-D166 PolarHBondContact O-N 3Å |
| 163 | E | 95.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.5 | -29.6 | -179.3 | -78 | -166 | -151.4 | 0 | 0 | 113.5 | K159 L160 F167 K176 F178 | K159-E163 WeakPolarHBondContact CE-OE1 3.45Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 PolarHBondContact O-N 2.83Å; L160-E163 PolarHBondContact O-N 3.38Å; E163-F167 WeakPolarHBondContact O-CB 3.32Å; E163-F167 PolarHBondContact O-N 3.37Å; E163-K176 PolarHBondContact O-NZ 3.36Å; E163-K176 VanDerWaalsContact O-NZ 3.11Å; E163-F178 HydrophobicContact CB-CE1 4.1Å; E163-F178 WeakPolarHBondContact OE2-CD1 3.32Å; E163-F178 WeakPolarHBondContact OE2-CE1 3.49Å |
| 164 | I | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -77.6 | -45.1 | 174.4 | -77.9 | 169.4 | 0 | 0 | 0 | 111 | L160 E161 Q162 D166 F167 I168 F178 L189 V192 F196 L198 | L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 2.8Å; E161-I164 PolarHBondContact O-N 2.92Å; Q162-I164 PolarHBondContact O-N 3.47Å; I164-D166 VanDerWaalsContact C-N 3.32Å; I164-D166 PolarHBondContact O-N 3.38Å; I164-F167 CarbonylContact O-C 3.59Å; I164-F167 WeakPolarHBondContact O-CB 3.3Å; I164-F167 PolarHBondContact O-N 3.22Å; I164-F167 VanDerWaalsContact O-N 3.12Å; I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 HydrophobicContact CG2-CG1 4.29Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 3.5Å; I164-F178 HydrophobicContact CG1-CZ 4.37Å; I164-L189 HydrophobicContact CD1-CD1 3.92Å; I164-V192 HydrophobicContact CD1-CB 4.18Å; I164-V192 HydrophobicContact CD1-CG1 3.49Å; I164-V192 VanDerWaalsContact CD1-CG1 3.49Å; I164-F196 HydrophobicContact CD1-CD2 4.5Å; I164-F196 HydrophobicContact CG2-CB 4.12Å; I164-F196 HydrophobicContact CG2-CD1 3.86Å; I164-F196 HydrophobicContact CG2-CD2 3.93Å; I164-F196 HydrophobicContact CG2-CE1 4.25Å; I164-F196 HydrophobicContact CG2-CE2 4.34Å; I164-F196 HydrophobicContact CG2-CG 3.7Å; I164-F196 HydrophobicContact CG2-CZ 4.49Å; I164-L198 HydrophobicContact CG1-CD1 4.38Å; I164-L198 HydrophobicContact CG2-CD1 3.6Å |
| 165 | L | 94.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 176.5 | -73.2 | 171 | 0 | 0 | 0 | 111.3 | E161 Q162 F167 I168 G169 F196 I219 | E161-L165 HydrophobicContact CG-CD1 3.87Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CB 3.21Å; E161-L165 VanDerWaalsContact O-CG 3.27Å; E161-L165 WeakPolarHBondContact O-CG 3.43Å; E161-L165 PolarHBondContact O-N 2.69Å; Q162-L165 PolarHBondContact O-N 3Å; L165-F167 VanDerWaalsContact C-N 3.28Å; L165-F167 PolarHBondContact O-N 3Å; L165-I168 PolarHBondContact O-N 2.71Å; L165-G169 PolarHBondContact O-N 3.06Å; L165-F196 HydrophobicContact CD2-CE1 3.84Å; L165-F196 HydrophobicContact CD2-CZ 4.49Å; L165-F196 HydrophobicContact CG-CE1 4.31Å; L165-I219 HydrophobicContact CD2-CG1 4.42Å; L165-I219 HydrophobicContact CD2-CG2 3.96Å |
| 166 | D | 94.7 | Very high | 93.3 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 174.9 | -68.8 | -12.5 | 0 | 0 | 0 | 111.1 | Q162 I164 N170 | Q162-D166 PolarHBondContact NE2-OD1 3.11Å; Q162-D166 WeakPolarHBondContact O-CB 3.32Å; Q162-D166 PolarHBondContact O-N 3Å; I164-D166 VanDerWaalsContact C-N 3.32Å; I164-D166 PolarHBondContact O-N 3.38Å; D166-N170 VanDerWaalsContact O-CB 3.28Å; D166-N170 WeakPolarHBondContact O-CB 3.17Å; D166-N170 PolarHBondContact O-N 3.29Å |
| 167 | F | 94.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 176.5 | 171.5 | -118.1 | 0 | 0 | 0 | 112.2 | E163 I164 L165 N170 S173 K176 L198 V211 K213 | E163-F167 WeakPolarHBondContact O-CB 3.32Å; E163-F167 PolarHBondContact O-N 3.37Å; I164-F167 CarbonylContact O-C 3.59Å; I164-F167 WeakPolarHBondContact O-CB 3.3Å; I164-F167 PolarHBondContact O-N 3.22Å; I164-F167 VanDerWaalsContact O-N 3.12Å; L165-F167 VanDerWaalsContact C-N 3.28Å; L165-F167 PolarHBondContact O-N 3Å; F167-N170 PolarHBondContact O-N 3.18Å; F167-S173 WeakPolarHBondContact CE2-O 3.43Å; F167-K176 HydrophobicContact CB-CD 3.82Å; F167-K176 HydrophobicContact CD1-CB 4.47Å; F167-K176 HydrophobicContact CD2-CB 3.53Å; F167-K176 HydrophobicContact CD2-CD 3.87Å; F167-K176 HydrophobicContact CD2-CG 4.33Å; F167-K176 HydrophobicContact CE1-CB 4.44Å; F167-K176 HydrophobicContact CE2-CB 3.5Å; F167-K176 HydrophobicContact CG-CB 4.02Å; F167-K176 HydrophobicContact CG-CD 3.92Å; F167-K176 HydrophobicContact CZ-CB 3.97Å; F167-L198 HydrophobicContact CE1-CD2 4.41Å; F167-V211 HydrophobicContact CE1-CG1 4.36Å; F167-K213 HydrophobicContact CD1-CG 4.44Å; F167-K213 HydrophobicContact CE1-CG 3.58Å; F167-K213 HydrophobicContact CE2-CG 4.41Å; F167-K213 HydrophobicContact CZ-CD 4.35Å; F167-K213 HydrophobicContact CZ-CG 3.58Å; F167-K213 WeakPolarHBondContact O-CE 3.39Å; F167-K213 PolarHBondContact O-NZ 3.31Å |
| 168 | I | 93.6 | Very high | 93.3 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 177.7 | -66.5 | 168.8 | 0 | 0 | 0 | 109.9 | I164 L165 F196 L198 K213 T217 I219 | I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 HydrophobicContact CG2-CG1 4.29Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 3.5Å; L165-I168 PolarHBondContact O-N 2.71Å; I168-F196 HydrophobicContact CD1-CB 4.46Å; I168-F196 HydrophobicContact CD1-CD1 3.83Å; I168-F196 HydrophobicContact CD1-CG 4.48Å; I168-L198 HydrophobicContact CD1-CD1 4.29Å; I168-L198 HydrophobicContact CG1-CD1 4.41Å; I168-L198 HydrophobicContact CG1-CD2 4.43Å; I168-K213 PolarHBondContact O-NZ 3.3Å; I168-T217 HydrophobicContact CD1-CG2 3.76Å; I168-T217 HydrophobicContact CG1-CG2 3.82Å; I168-T217 HydrophobicContact CG2-CG2 4.22Å; I168-I219 HydrophobicContact CD1-CG1 4.5Å; I168-I219 HydrophobicContact CG2-CD1 4.2Å; I168-I219 HydrophobicContact CG2-CG1 4.29Å |
| 169 | G | 91.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 66.8 Ų | 66.8 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.3 | -32.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L165 | L165-G169 PolarHBondContact O-N 3.06Å |
| 170 | N | 89.9 | Confident | 93.3 | Very high | 64 Ų | 64 | 65.6 Ų | 65.6 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | trans | -83.8 | 115 | 176 | -173.7 | 8.3 | 0 | 0 | 0 | 111.5 | D166 F167 E172 K213 | D166-N170 VanDerWaalsContact O-CB 3.28Å; D166-N170 WeakPolarHBondContact O-CB 3.17Å; D166-N170 PolarHBondContact O-N 3.29Å; F167-N170 PolarHBondContact O-N 3.18Å; N170-E172 PolarHBondContact ND2-OE2 3.31Å; N170-E172 WeakPolarHBondContact OD1-CB 3.38Å; N170-E172 WeakPolarHBondContact OD1-CG 3.42Å; N170-E172 PolarHBondContact OD1-N 2.85Å; N170-E172 VanDerWaalsContact OD1-N 3.09Å; N170-K213 PolarHBondContact O-NZ 3.34Å | ||
| 171 | N | 85.9 | Confident | 93.3 | Very high | 139 Ų | 139 | 67.2 Ų | 67.2 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 4.5 | 179.7 | -73.6 | -46.6 | 0 | 0 | 0 | 114.9 | S173 K213 | N171-S173 VanDerWaalsContact C-N 3.28Å; N171-S173 PolarHBondContact O-N 3.33Å; N171-K213 PolarHBondContact OD1-NZ 2.99Å |
| 172 | E | 84.8 | Confident | 93.3 | Very high | 168 Ų | 168 | 70.2 Ų | 70.2 | 79% | 0.785 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -30.1 | -178.8 | -73.2 | 171.5 | 168.5 | 0 | 0 | 113.9 | N170 | N170-E172 PolarHBondContact ND2-OE2 3.31Å; N170-E172 WeakPolarHBondContact OD1-CB 3.38Å; N170-E172 WeakPolarHBondContact OD1-CG 3.42Å; N170-E172 PolarHBondContact OD1-N 2.85Å; N170-E172 VanDerWaalsContact OD1-N 3.09Å |
| 173 | S | 88.5 | Confident | 93.3 | Very high | 46 Ų | 46 | 69.8 Ų | 69.8 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | trans | -139.5 | 133.9 | -177.9 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | F167 N171 R175 | F167-S173 WeakPolarHBondContact CE2-O 3.43Å; N171-S173 VanDerWaalsContact C-N 3.28Å; N171-S173 PolarHBondContact O-N 3.33Å; S173-R175 PolarHBondContact O-N 3.4Å | ||
| 174 | P | 91.1 | Very high | 93.4 | Very high | 99 Ų | 99 | 71.7 Ų | 71.7 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -77.2 | -11.3 | 176.6 | 31.4 | -35.6 | 0 | 0 | 0 | 113 | N212 K213 | P174-N212 WeakPolarHBondContact O-CA 3.48Å; P174-K213 PolarHBondContact O-N 3.16Å |
| 175 | R | 93.6 | Very high | 93.4 | Very high | 121 Ų | 121 | 74.5 Ų | 74.5 | 46% | 0.457 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137 | -174.8 | 160.4 | 171.7 | -75 | -135.6 | -4.8 | 110.1 | S173 I210 V211 N212 | S173-R175 PolarHBondContact O-N 3.4Å; R175-I210 VanDerWaalsContact CD-CG2 3.45Å; R175-I210 HydrophobicContact CG-CG2 3.48Å; R175-I210 VanDerWaalsContact CG-CG2 3.48Å; R175-V211 CarbonylContact C-O 3.58Å; R175-V211 WeakPolarHBondContact CA-O 3.47Å; R175-N212 WeakPolarHBondContact CB-OD1 3.48Å; R175-N212 PolarHBondContact NE-OD1 3.2Å; R175-N212 PolarHBondContact NH2-ND2 3.17Å; R175-N212 PolarHBondContact NH2-OD1 2.99Å |
| 176 | K | 95 | Very high | 93.5 | Very high | 57 Ų | 57 | 75.3 Ų | 75.3 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.7 | 171.8 | -179.8 | 170.4 | 179.2 | 170 | 0 | 110.7 | E163 F167 F178 I210 V211 | E163-K176 PolarHBondContact O-NZ 3.36Å; E163-K176 VanDerWaalsContact O-NZ 3.11Å; F167-K176 HydrophobicContact CB-CD 3.82Å; F167-K176 HydrophobicContact CD1-CB 4.47Å; F167-K176 HydrophobicContact CD2-CB 3.53Å; F167-K176 HydrophobicContact CD2-CD 3.87Å; F167-K176 HydrophobicContact CD2-CG 4.33Å; F167-K176 HydrophobicContact CE1-CB 4.44Å; F167-K176 HydrophobicContact CE2-CB 3.5Å; F167-K176 HydrophobicContact CG-CB 4.02Å; F167-K176 HydrophobicContact CG-CD 3.92Å; F167-K176 HydrophobicContact CZ-CB 3.97Å; K176-F178 HydrophobicContact CD-CE2 4.42Å; K176-F178 HydrophobicContact CD-CZ 4.34Å; K176-F178 HydrophobicContact CG-CE2 4.29Å; K176-I210 WeakPolarHBondContact O-CA 3.43Å; K176-V211 PolarHBondContact N-O 3.23Å; K176-V211 PolarHBondContact O-N 2.85Å |
| 177 | K | 95.6 | Very high | 93.5 | Very high | 112 Ų | 112 | 73.8 Ų | 73.8 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.8 | 172 | -179.3 | 167.6 | -179.1 | 168 | 0 | 108.9 | D203 I210 | K177-D203 IonicContact NZ-OD1 2.88Å; K177-D203 PolarHBondContact NZ-OD1 3.41Å; K177-D203 IonicContact NZ-OD2 3.72Å; K177-D203 PolarHBondContact NZ-OD2 3.36Å; K177-I210 HydrophobicContact CB-CG1 4.15Å; K177-I210 HydrophobicContact CD-CG1 4.26Å; K177-I210 HydrophobicContact CG-CG1 3.92Å |
| 178 | F | 95.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 150.8 | 175.5 | -73.4 | -99.9 | 0 | 0 | 0 | 110.9 | L160 E163 I164 K176 M181 L189 S208 V209 V211 | L160-F178 HydrophobicContact CD2-CE1 4.39Å; E163-F178 HydrophobicContact CB-CE1 4.1Å; E163-F178 WeakPolarHBondContact OE2-CD1 3.32Å; E163-F178 WeakPolarHBondContact OE2-CE1 3.49Å; I164-F178 HydrophobicContact CG1-CZ 4.37Å; K176-F178 HydrophobicContact CD-CE2 4.42Å; K176-F178 HydrophobicContact CD-CZ 4.34Å; K176-F178 HydrophobicContact CG-CE2 4.29Å; F178-M181 HydrophobicContact CB-CE 3.65Å; F178-M181 HydrophobicContact CD1-CE 4.33Å; F178-M181 HydrophobicContact CG-CE 4.17Å; F178-L189 HydrophobicContact CB-CD2 4.12Å; F178-L189 HydrophobicContact CD1-CD2 4.02Å; F178-L189 HydrophobicContact CD2-CD2 3.54Å; F178-L189 HydrophobicContact CE1-CD1 4.26Å; F178-L189 HydrophobicContact CE1-CD2 4.3Å; F178-L189 HydrophobicContact CE2-CD1 4.1Å; F178-L189 HydrophobicContact CE2-CD2 3.89Å; F178-L189 HydrophobicContact CG-CD2 3.61Å; F178-L189 HydrophobicContact CZ-CD1 3.92Å; F178-L189 HydrophobicContact CZ-CD2 4.25Å; F178-S208 VanDerWaalsContact O-CB 3.3Å; F178-S208 WeakPolarHBondContact O-CB 3.33Å; F178-S208 PolarHBondContact O-OG 3.15Å; F178-V209 PolarHBondContact N-O 3.49Å; F178-V211 HydrophobicContact CD2-CG2 4Å; F178-V211 HydrophobicContact CE2-CB 4.04Å; F178-V211 HydrophobicContact CE2-CG2 3.54Å |
| 179 | P | 96.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 58% | 0.584 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 159.8 | 172.1 | -24.2 | 34.1 | 0 | 0 | 0 | 112.2 | M181 | P179-M181 PolarHBondContact O-N 2.88Š|
| 180 | P | 95.9 | Very high | 94 | Very high | 99 Ų | 99 | 71.1 Ų | 71.1 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 128.6 | 174.6 | -27.2 | 35.9 | 0 | 0 | 0 | 111.5 | K207 | P180-K207 VanDerWaalsContact CA-O 3.28Å; P180-K207 WeakPolarHBondContact CA-O 3.39Å; P180-K207 HydrophobicContact CB-CB 4.42Å |
| 181 | M | 95 | Very high | 94.3 | Very high | 37 Ų | 37 | 69.9 Ų | 69.9 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | trans | -127.8 | 156.8 | -176.1 | -83.7 | -170.7 | -69.3 | 0 | 0 | 110.8 | M156 F178 P179 H185 R186 L189 K207 | M156-M181 HydrophobicContact CE-SD 3.9Å; F178-M181 HydrophobicContact CB-CE 3.65Å; F178-M181 HydrophobicContact CD1-CE 4.33Å; F178-M181 HydrophobicContact CG-CE 4.17Å; P179-M181 PolarHBondContact O-N 2.88Å; M181-H185 HydrophobicContact CB-CB 3.99Å; M181-H185 HydrophobicContact CG-CB 4.23Å; M181-H185 HydrophobicContact SD-CB 3.95Å; M181-R186 HydrophobicContact CB-CG 3.81Å; M181-L189 HydrophobicContact CE-CB 4.35Å; M181-L189 HydrophobicContact CE-CD2 3.43Å; M181-L189 VanDerWaalsContact CE-CD2 3.43Å; M181-K207 PolarHBondContact N-O 3.39Å; M181-K207 VanDerWaalsContact N-O 3.16Å | ||
| 182 | T | 96.4 | Very high | 94.7 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | trans | -62.7 | 156.3 | 172.8 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | Y184 H185 R186 | T182-Y184 PolarHBondContact O-N 3.34Å; T182-H185 PolarHBondContact O-N 3.06Å; T182-H185 VanDerWaalsContact O-N 3.16Å; T182-H185 WeakPolarHBondContact OG1-CB 3.37Å; T182-H185 VanDerWaalsContact OG1-CG 3.23Å; T182-H185 PolarHBondContact OG1-N 3.06Å; T182-H185 PolarHBondContact OG1-ND1 3.31Å; T182-R186 VanDerWaalsContact O-CG 3.25Å; T182-R186 WeakPolarHBondContact O-CG 3.21Å; T182-R186 PolarHBondContact O-N 2.94Å | ||
| 183 | S | 96.1 | Very high | 95.3 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 66% | 0.664 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -51.8 | -39.9 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | M187 | S183-M187 PolarHBondContact O-N 2.96Å |
| 184 | Y | 96.5 | Very high | 95.5 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.4 | -46.6 | 177.4 | -175.5 | -114 | 0 | 0 | 0 | 113.4 | D153 T182 R186 M187 L188 | D153-Y184 WeakPolarHBondContact OD1-CE1 3.4Å; D153-Y184 PolarHBondContact OD2-OH 3.43Å; T182-Y184 PolarHBondContact O-N 3.34Å; Y184-R186 VanDerWaalsContact C-N 3.25Å; Y184-R186 PolarHBondContact O-N 2.99Å; Y184-M187 HydrophobicContact CD2-CE 3.75Å; Y184-M187 HydrophobicContact CD2-SD 4.23Å; Y184-M187 HydrophobicContact CE2-CE 3.37Å; Y184-M187 HydrophobicContact CE2-SD 4.2Å; Y184-M187 WeakPolarHBondContact O-CA 3.27Å; Y184-M187 VanDerWaalsContact O-CB 3.32Å; Y184-M187 WeakPolarHBondContact O-CB 3.44Å; Y184-M187 PolarHBondContact O-N 2.86Å; Y184-L188 HydrophobicContact CD1-CD1 4.31Å; Y184-L188 HydrophobicContact CE1-CD1 3.8Å; Y184-L188 HydrophobicContact CE1-CG 4.25Å; Y184-L188 PolarHBondContact O-N 3.45Å |
| 185 | H | 96.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 176.6 | -69.2 | 164.4 | 0 | 0 | 0 | 112 | M156 M181 T182 M187 L188 L189 | M156-H185 HydrophobicContact CE-CB 4.11Å; M181-H185 HydrophobicContact CB-CB 3.99Å; M181-H185 HydrophobicContact CG-CB 4.23Å; M181-H185 HydrophobicContact SD-CB 3.95Å; T182-H185 PolarHBondContact O-N 3.06Å; T182-H185 VanDerWaalsContact O-N 3.16Å; T182-H185 WeakPolarHBondContact OG1-CB 3.37Å; T182-H185 VanDerWaalsContact OG1-CG 3.23Å; T182-H185 PolarHBondContact OG1-N 3.06Å; T182-H185 PolarHBondContact OG1-ND1 3.31Å; H185-M187 VanDerWaalsContact C-N 3.34Å; H185-L188 PolarHBondContact O-N 2.87Å; H185-L189 PolarHBondContact O-N 3.19Å |
| 186 | R | 96.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 172 | -66.3 | 172.7 | 55.7 | -90.9 | -1 | 111.3 | M181 T182 Y184 L189 H190 G206 V209 | M181-R186 HydrophobicContact CB-CG 3.81Å; T182-R186 VanDerWaalsContact O-CG 3.25Å; T182-R186 WeakPolarHBondContact O-CG 3.21Å; T182-R186 PolarHBondContact O-N 2.94Å; Y184-R186 VanDerWaalsContact C-N 3.25Å; Y184-R186 PolarHBondContact O-N 2.99Å; R186-L189 PolarHBondContact O-N 3.32Å; R186-H190 PolarHBondContact O-CD2 3.41Å; R186-H190 PolarHBondContact O-N 3.23Å; R186-G206 PolarHBondContact NE-O 3.37Å; R186-V209 HydrophobicContact CB-CG2 3.77Å; R186-V209 HydrophobicContact CG-CG2 3.66Å |
| 187 | M | 95.6 | Very high | 95.6 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 29% | 0.286 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 174.9 | -179.8 | -141.8 | 68.9 | 0 | 0 | 111.7 | F142 S183 Y184 H185 H190 R191 | F142-M187 HydrophobicContact CZ-CE 4.1Å; S183-M187 PolarHBondContact O-N 2.96Å; Y184-M187 HydrophobicContact CD2-CE 3.75Å; Y184-M187 HydrophobicContact CD2-SD 4.23Å; Y184-M187 HydrophobicContact CE2-CE 3.37Å; Y184-M187 HydrophobicContact CE2-SD 4.2Å; Y184-M187 WeakPolarHBondContact O-CA 3.27Å; Y184-M187 VanDerWaalsContact O-CB 3.32Å; Y184-M187 WeakPolarHBondContact O-CB 3.44Å; Y184-M187 PolarHBondContact O-N 2.86Å; H185-M187 VanDerWaalsContact C-N 3.34Å; M187-H190 PolarHBondContact O-N 2.88Å; M187-R191 PolarHBondContact O-N 2.97Å; M187-R191 VanDerWaalsContact O-N 3.16Å |
| 188 | L | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 175.2 | -68.3 | 178.1 | 0 | 0 | 0 | 111.2 | F142 M156 L157 L160 Y184 H185 H190 R191 V192 | F142-L188 HydrophobicContact CE1-CD2 3.95Å; F142-L188 HydrophobicContact CZ-CD2 3.79Å; M156-L188 HydrophobicContact CG-CD1 4.25Å; L157-L188 HydrophobicContact CD2-CB 4.5Å; L157-L188 HydrophobicContact CD2-CD2 4.37Å; L160-L188 HydrophobicContact CD1-CB 4.21Å; Y184-L188 HydrophobicContact CD1-CD1 4.31Å; Y184-L188 HydrophobicContact CE1-CD1 3.8Å; Y184-L188 HydrophobicContact CE1-CG 4.25Å; Y184-L188 PolarHBondContact O-N 3.45Å; H185-L188 PolarHBondContact O-N 2.87Å; L188-H190 VanDerWaalsContact C-N 3.33Å; L188-H190 PolarHBondContact O-N 3.26Å; L188-R191 PolarHBondContact O-N 2.82Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.42Å; L188-V192 PolarHBondContact O-N 3.49Å |
| 189 | L | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 178.3 | 175.2 | 61.3 | 0 | 0 | 0 | 112.3 | L160 I164 F178 M181 H185 R186 R191 V192 A193 V209 V211 | L160-L189 HydrophobicContact CD1-CB 4.08Å; L160-L189 HydrophobicContact CD2-CD1 4.11Å; I164-L189 HydrophobicContact CD1-CD1 3.92Å; F178-L189 HydrophobicContact CB-CD2 4.12Å; F178-L189 HydrophobicContact CD1-CD2 4.02Å; F178-L189 HydrophobicContact CD2-CD2 3.54Å; F178-L189 HydrophobicContact CE1-CD1 4.26Å; F178-L189 HydrophobicContact CE1-CD2 4.3Å; F178-L189 HydrophobicContact CE2-CD1 4.1Å; F178-L189 HydrophobicContact CE2-CD2 3.89Å; F178-L189 HydrophobicContact CG-CD2 3.61Å; F178-L189 HydrophobicContact CZ-CD1 3.92Å; F178-L189 HydrophobicContact CZ-CD2 4.25Å; M181-L189 HydrophobicContact CE-CB 4.35Å; M181-L189 HydrophobicContact CE-CD2 3.43Å; M181-L189 VanDerWaalsContact CE-CD2 3.43Å; H185-L189 PolarHBondContact O-N 3.19Å; R186-L189 PolarHBondContact O-N 3.32Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 2.81Å; L189-V192 PolarHBondContact O-N 3.12Å; L189-A193 WeakPolarHBondContact O-CB 2.93Å; L189-A193 PolarHBondContact O-N 3.25Å; L189-V209 HydrophobicContact CD2-CB 3.69Å; L189-V209 HydrophobicContact CD2-CG1 3.62Å; L189-V209 HydrophobicContact CD2-CG2 4.47Å; L189-V209 HydrophobicContact CG-CG1 4.14Å; L189-V211 HydrophobicContact CD1-CG2 4.42Å; L189-V211 HydrophobicContact CD2-CG2 4.41Å |
| 190 | H | 96.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 39 Ų | 39 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 176.2 | -76.1 | -56.1 | 0 | 0 | 0 | 111.6 | R186 M187 L188 A193 A194 H200 | R186-H190 PolarHBondContact O-CD2 3.41Å; R186-H190 PolarHBondContact O-N 3.23Å; M187-H190 PolarHBondContact O-N 2.88Å; L188-H190 VanDerWaalsContact C-N 3.33Å; L188-H190 PolarHBondContact O-N 3.26Å; H190-A193 PolarHBondContact O-N 2.91Å; H190-A194 WeakPolarHBondContact O-CB 3.28Å; H190-A194 PolarHBondContact O-N 2.9Å; H190-H200 AromaticContact CE1-CD2 3.84Å; H190-H200 AromaticContact CG-CD2 3.84Å; H190-H200 AromaticContact ND1-CD2 2.99Å; H190-H200 PolarHBondContact ND1-CD2 3.25Å; H190-H200 AromaticContact ND1-CG 3.52Å; H190-H200 AromaticContact ND1-NE2 3.93Å |
| 191 | R | 95.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 14% | 0.143 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 178 | -71 | -174.6 | 177.5 | 163.5 | 6.1 | 112.7 | D133 L139 F142 M187 L188 L189 A194 Y195 | D133-R191 IonicContact OD2-NE 3.56Å; L139-R191 HydrophobicContact CD2-CB 3.7Å; L139-R191 HydrophobicContact CD2-CG 3.87Å; F142-R191 HydrophobicContact CD1-CB 4.42Å; F142-R191 VanDerWaalsContact CD1-CD 3.41Å; F142-R191 HydrophobicContact CE1-CB 4.39Å; M187-R191 PolarHBondContact O-N 2.97Å; M187-R191 VanDerWaalsContact O-N 3.16Å; L188-R191 PolarHBondContact O-N 2.82Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 2.81Å; R191-A194 PolarHBondContact O-N 2.77Å; R191-Y195 WeakPolarHBondContact O-CB 3.48Å; R191-Y195 PolarHBondContact O-N 3.43Å |
| 192 | V | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 176 | -179 | 0 | 0 | 0 | 0 | 109.9 | L143 L157 I164 L188 L189 A194 Y195 F196 F224 | L143-V192 HydrophobicContact CD2-CG2 3.88Å; L157-V192 HydrophobicContact CD2-CG2 3.48Å; L157-V192 VanDerWaalsContact CD2-CG2 3.48Å; I164-V192 HydrophobicContact CD1-CB 4.18Å; I164-V192 HydrophobicContact CD1-CG1 3.49Å; I164-V192 VanDerWaalsContact CD1-CG1 3.49Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.42Å; L188-V192 PolarHBondContact O-N 3.49Å; L189-V192 PolarHBondContact O-N 3.12Å; V192-A194 VanDerWaalsContact C-N 3.3Å; V192-A194 PolarHBondContact O-N 2.88Å; V192-Y195 WeakPolarHBondContact O-CB 3.43Å; V192-Y195 PolarHBondContact O-N 3.09Å; V192-F196 HydrophobicContact CG1-CD2 3.81Å; V192-F196 HydrophobicContact CG1-CE2 3.76Å; V192-F196 VanDerWaalsContact O-CD2 3.29Å; V192-F196 WeakPolarHBondContact O-CD2 3.38Å; V192-F196 PolarHBondContact O-N 3Å; V192-F224 HydrophobicContact CG1-CE2 4.1Å; V192-F224 HydrophobicContact CG1-CZ 4.08Å; V192-F224 HydrophobicContact CG2-CE2 4.14Å; V192-F224 HydrophobicContact CG2-CZ 4.27Å |
| 193 | A | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L189 H190 Y195 F196 G197 L198 H200 V211 | L189-A193 WeakPolarHBondContact O-CB 2.93Å; L189-A193 PolarHBondContact O-N 3.25Å; H190-A193 PolarHBondContact O-N 2.91Å; A193-Y195 VanDerWaalsContact C-N 3.32Å; A193-Y195 PolarHBondContact O-N 2.8Å; A193-F196 CarbonylContact O-C 3.59Å; A193-F196 PolarHBondContact O-N 2.78Å; A193-G197 PolarHBondContact O-N 2.66Å; A193-L198 HydrophobicContact CB-CB 4.21Å; A193-L198 WeakPolarHBondContact O-CB 3.35Å; A193-L198 PolarHBondContact O-N 3.42Å; A193-H200 HydrophobicContact CB-CB 3.97Å; A193-V211 HydrophobicContact CB-CG1 4.21Å; A193-V211 HydrophobicContact CB-CG2 4.26Å |
| 194 | A | 94.5 | Very high | 95.2 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 19% | 0.19 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L139 H190 R191 V192 F196 G197 | L139-A194 HydrophobicContact CD1-CB 3.65Å; L139-A194 HydrophobicContact CD2-CB 4.44Å; H190-A194 WeakPolarHBondContact O-CB 3.28Å; H190-A194 PolarHBondContact O-N 2.9Å; R191-A194 PolarHBondContact O-N 2.77Å; V192-A194 VanDerWaalsContact C-N 3.3Å; V192-A194 PolarHBondContact O-N 2.88Å; A194-F196 VanDerWaalsContact C-N 3.28Å; A194-F196 PolarHBondContact O-N 2.87Å; A194-G197 WeakPolarHBondContact O-CA 3.46Å; A194-G197 PolarHBondContact O-N 2.86Å |
| 195 | Y | 94.1 | Very high | 95 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -34.1 | 178.2 | -176.2 | -106.2 | 0 | 0 | 0 | 112.7 | Y131 L139 H140 L143 R191 V192 A193 G197 P220 F224 | Y131-Y195 AromaticContact CD1-CD2 3.42Å; Y131-Y195 HydrophobicContact CD1-CD2 3.42Å; Y131-Y195 VanDerWaalsContact CD1-CD2 3.42Å; Y131-Y195 AromaticContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CG 4.45Å; Y131-Y195 AromaticContact CE1-CD2 3.78Å; Y131-Y195 HydrophobicContact CE1-CD2 3.78Å; Y131-Y195 AromaticContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CE1-CE2 3.45Å; Y131-Y195 VanDerWaalsContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CG-CD2 4.48Å; Y131-Y195 HydrophobicContact CG-CE2 4.3Å; L139-Y195 HydrophobicContact CB-CD2 4.06Å; H140-Y195 HydrophobicContact CB-CE2 4.26Å; L143-Y195 HydrophobicContact CD1-CD1 3.83Å; L143-Y195 HydrophobicContact CD1-CD2 3.69Å; L143-Y195 HydrophobicContact CD1-CE1 4.29Å; L143-Y195 HydrophobicContact CD1-CE2 4.2Å; L143-Y195 HydrophobicContact CD1-CG 3.51Å; R191-Y195 WeakPolarHBondContact O-CB 3.48Å; R191-Y195 PolarHBondContact O-N 3.43Å; V192-Y195 WeakPolarHBondContact O-CB 3.43Å; V192-Y195 PolarHBondContact O-N 3.09Å; A193-Y195 VanDerWaalsContact C-N 3.32Å; A193-Y195 PolarHBondContact O-N 2.8Å; Y195-G197 VanDerWaalsContact C-N 3.27Å; Y195-P220 HydrophobicContact CD1-CB 4.45Å; Y195-P220 HydrophobicContact CD1-CG 3.66Å; Y195-P220 HydrophobicContact CE1-CB 3.58Å; Y195-P220 HydrophobicContact CE1-CG 3.27Å; Y195-F224 HydrophobicContact CD1-CE1 4.15Å; Y195-F224 HydrophobicContact CD1-CZ 4.39Å; Y195-F224 AromaticContact CE1-CE1 3.98Å; Y195-F224 HydrophobicContact CE1-CE1 3.98Å |
| 196 | F | 94.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 2.9 | 173.1 | -77.6 | -92.3 | 0 | 0 | 0 | 113.4 | E161 I164 L165 I168 V192 A193 A194 L198 T217 R218 P220 F224 | E161-F196 HydrophobicContact CG-CZ 4.11Å; I164-F196 HydrophobicContact CD1-CD2 4.5Å; I164-F196 HydrophobicContact CG2-CB 4.12Å; I164-F196 HydrophobicContact CG2-CD1 3.86Å; I164-F196 HydrophobicContact CG2-CD2 3.93Å; I164-F196 HydrophobicContact CG2-CE1 4.25Å; I164-F196 HydrophobicContact CG2-CE2 4.34Å; I164-F196 HydrophobicContact CG2-CG 3.7Å; I164-F196 HydrophobicContact CG2-CZ 4.49Å; L165-F196 HydrophobicContact CD2-CE1 3.84Å; L165-F196 HydrophobicContact CD2-CZ 4.49Å; L165-F196 HydrophobicContact CG-CE1 4.31Å; I168-F196 HydrophobicContact CD1-CB 4.46Å; I168-F196 HydrophobicContact CD1-CD1 3.83Å; I168-F196 HydrophobicContact CD1-CG 4.48Å; V192-F196 HydrophobicContact CG1-CD2 3.81Å; V192-F196 HydrophobicContact CG1-CE2 3.76Å; V192-F196 VanDerWaalsContact O-CD2 3.29Å; V192-F196 WeakPolarHBondContact O-CD2 3.38Å; V192-F196 PolarHBondContact O-N 3Å; A193-F196 CarbonylContact O-C 3.59Å; A193-F196 PolarHBondContact O-N 2.78Å; A194-F196 VanDerWaalsContact C-N 3.28Å; A194-F196 PolarHBondContact O-N 2.87Å; F196-L198 HydrophobicContact CB-CD1 4.03Å; F196-L198 HydrophobicContact CB-CG 4.11Å; F196-L198 PolarHBondContact O-N 3.33Å; F196-T217 WeakPolarHBondContact O-CA 3.38Å; F196-R218 WeakPolarHBondContact CD1-O 3.43Å; F196-R218 PolarHBondContact O-N 3.3Å; F196-P220 VanDerWaalsContact CD1-CD 3.46Å; F196-P220 HydrophobicContact CD1-CG 4.25Å; F196-P220 HydrophobicContact CE1-CG 4.14Å; F196-P220 HydrophobicContact CZ-CG 4.38Å; F196-F224 HydrophobicContact CE2-CZ 4.3Å |
| 197 | G | 92.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 24% | 0.237 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 20.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A193 A194 Y195 T214 N216 | A193-G197 PolarHBondContact O-N 2.66Å; A194-G197 WeakPolarHBondContact O-CA 3.46Å; A194-G197 PolarHBondContact O-N 2.86Å; Y195-G197 VanDerWaalsContact C-N 3.27Å; G197-T214 PolarHBondContact O-OG1 3.4Å; G197-N216 CarbonylContact O-C 3.56Å |
| 198 | L | 94.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | trans | -86.6 | 140.6 | 177.7 | -63.9 | 168.9 | 0 | 0 | 0 | 110.9 | I164 F167 I168 A193 F196 H200 V211 T217 | I164-L198 HydrophobicContact CG1-CD1 4.38Å; I164-L198 HydrophobicContact CG2-CD1 3.6Å; F167-L198 HydrophobicContact CE1-CD2 4.41Å; I168-L198 HydrophobicContact CD1-CD1 4.29Å; I168-L198 HydrophobicContact CG1-CD1 4.41Å; I168-L198 HydrophobicContact CG1-CD2 4.43Å; A193-L198 HydrophobicContact CB-CB 4.21Å; A193-L198 WeakPolarHBondContact O-CB 3.35Å; A193-L198 PolarHBondContact O-N 3.42Å; F196-L198 HydrophobicContact CB-CD1 4.03Å; F196-L198 HydrophobicContact CB-CG 4.11Å; F196-L198 PolarHBondContact O-N 3.33Å; L198-H200 PolarHBondContact O-ND1 3.09Å; L198-V211 HydrophobicContact CB-CG1 3.5Å; L198-V211 VanDerWaalsContact CB-CG1 3.5Å; L198-V211 HydrophobicContact CD1-CG1 3.64Å; L198-V211 HydrophobicContact CD2-CG1 4.44Å; L198-V211 HydrophobicContact CG-CG1 4.06Å; L198-T217 HydrophobicContact CD2-CG2 3.48Å; L198-T217 VanDerWaalsContact CD2-CG2 3.48Å; L198-T217 WeakPolarHBondContact CD2-OG1 3.25Å; L198-T217 HydrophobicContact CG-CG2 4.21Å | ||
| 199 | D | 94.8 | Very high | 94.7 | Very high | 69 Ų | 69 | 41.8 Ų | 41.8 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137.1 | 171.5 | 171.5 | 48.4 | 0 | 0 | 0 | 109.6 | N201 V211 N212 T214 | D199-N201 PolarHBondContact OD1-ND2 2.87Å; D199-N201 PolarHBondContact OD2-ND2 2.81Å; D199-V211 CarbonylContact O-C 3.52Å; D199-V211 VanDerWaalsContact O-CA 3.3Å; D199-V211 WeakPolarHBondContact O-CA 3.16Å; D199-N212 HydrophobicContact CB-CB 4.26Å; D199-N212 PolarHBondContact N-O 3.05Å; D199-N212 PolarHBondContact O-N 3.28Å; D199-N212 PolarHBondContact OD2-ND2 2.58Å; D199-T214 HydrophobicContact CB-CG2 3.44Å; D199-T214 VanDerWaalsContact CB-CG2 3.44Å |
| 200 | H | 95.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.5 | -172.6 | 53.3 | -94.7 | 0 | 0 | 0 | 110.5 | H190 A193 L198 I210 V211 | H190-H200 AromaticContact CE1-CD2 3.84Å; H190-H200 AromaticContact CG-CD2 3.84Å; H190-H200 AromaticContact ND1-CD2 2.99Å; H190-H200 PolarHBondContact ND1-CD2 3.25Å; H190-H200 AromaticContact ND1-CG 3.52Å; H190-H200 AromaticContact ND1-NE2 3.93Å; A193-H200 HydrophobicContact CB-CB 3.97Å; L198-H200 PolarHBondContact O-ND1 3.09Å; H200-I210 WeakPolarHBondContact CA-O 3.35Å; H200-V211 HydrophobicContact CB-CG2 4.46Å |
| 201 | N | 95.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.7 | -177.4 | -66.3 | -88.7 | 0 | 0 | 0 | 109.8 | D199 V209 I210 N212 | D199-N201 PolarHBondContact OD1-ND2 2.87Å; D199-N201 PolarHBondContact OD2-ND2 2.81Å; N201-V209 CarbonylContact O-C 3.52Å; N201-V209 WeakPolarHBondContact O-CA 3.43Å; N201-I210 PolarHBondContact N-O 3.12Å; N201-I210 PolarHBondContact O-N 3.36Å; N201-N212 PolarHBondContact ND2-ND2 2.86Å |
| 202 | V | 94.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 140.6 | 172.8 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 203 | D | 94.5 | Very high | 94.7 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | trans | -59.1 | 154.6 | 173.2 | -171.9 | 54.5 | 0 | 0 | 0 | 111.4 | K177 S205 G206 S208 I210 | K177-D203 IonicContact NZ-OD1 2.88Å; K177-D203 PolarHBondContact NZ-OD1 3.41Å; K177-D203 IonicContact NZ-OD2 3.72Å; K177-D203 PolarHBondContact NZ-OD2 3.36Å; D203-S205 PolarHBondContact O-N 3.04Å; D203-S205 WeakPolarHBondContact OD2-CB 3.38Å; D203-S205 PolarHBondContact OD2-OG 2.76Å; D203-G206 PolarHBondContact O-N 2.92Å; D203-S208 WeakPolarHBondContact CB-O 3.49Å; D203-S208 PolarHBondContact N-O 3.41Å; D203-I210 HydrophobicContact CB-CD1 3.98Å | ||
| 204 | Q | 93.6 | Very high | 94.5 | Very high | 202 Ų | 202 | 44.8 Ų | 44.8 | 94% | 0.944 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -31.3 | 177.2 | -163.5 | 97.7 | 33.1 | 0 | 0 | 112.3 | G206 | Q204-G206 VanDerWaalsContact C-N 3.33Š|
| 205 | S | 92.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 46% | 0.462 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -12.4 | 177.6 | 69.8 | 0 | 0 | 0 | 0 | 115 | D203 K207 | D203-S205 PolarHBondContact O-N 3.04Å; D203-S205 WeakPolarHBondContact OD2-CB 3.38Å; D203-S205 PolarHBondContact OD2-OG 2.76Å; S205-K207 PolarHBondContact O-N 3.25Å; S205-K207 PolarHBondContact OG-N 3.1Å |
| 206 | G | 91.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 76.9 | -11.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R186 D203 Q204 | R186-G206 PolarHBondContact NE-O 3.37Å; D203-G206 PolarHBondContact O-N 2.92Å; Q204-G206 VanDerWaalsContact C-N 3.33Å |
| 207 | K | 94.2 | Very high | 94 | Very high | 141 Ų | 141 | 56.1 Ų | 56.1 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -87.8 | -25 | -168 | -63.4 | -179.1 | -177.1 | -179.6 | 0 | 114.3 | P180 M181 S205 | P180-K207 VanDerWaalsContact CA-O 3.28Å; P180-K207 WeakPolarHBondContact CA-O 3.39Å; P180-K207 HydrophobicContact CB-CB 4.42Å; M181-K207 PolarHBondContact N-O 3.39Å; M181-K207 VanDerWaalsContact N-O 3.16Å; S205-K207 PolarHBondContact O-N 3.25Å; S205-K207 PolarHBondContact OG-N 3.1Å |
| 208 | S | 95.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | trans | -121.9 | 157.9 | -176.6 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | F178 D203 | F178-S208 VanDerWaalsContact O-CB 3.3Å; F178-S208 WeakPolarHBondContact O-CB 3.33Å; F178-S208 PolarHBondContact O-OG 3.15Å; D203-S208 WeakPolarHBondContact CB-O 3.49Å; D203-S208 PolarHBondContact N-O 3.41Å | ||
| 209 | V | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.1 | 172 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | F178 R186 L189 N201 V211 | F178-V209 PolarHBondContact N-O 3.49Å; R186-V209 HydrophobicContact CB-CG2 3.77Å; R186-V209 HydrophobicContact CG-CG2 3.66Å; L189-V209 HydrophobicContact CD2-CB 3.69Å; L189-V209 HydrophobicContact CD2-CG1 3.62Å; L189-V209 HydrophobicContact CD2-CG2 4.47Å; L189-V209 HydrophobicContact CG-CG1 4.14Å; N201-V209 CarbonylContact O-C 3.52Å; N201-V209 WeakPolarHBondContact O-CA 3.43Å; V209-V211 HydrophobicContact CG1-CG2 4.25Å |
| 210 | I | 96.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.2 | -176.8 | -54.5 | 158.4 | 0 | 0 | 0 | 107.7 | R175 K176 K177 H200 N201 D203 | R175-I210 VanDerWaalsContact CD-CG2 3.45Å; R175-I210 HydrophobicContact CG-CG2 3.48Å; R175-I210 VanDerWaalsContact CG-CG2 3.48Å; K176-I210 WeakPolarHBondContact O-CA 3.43Å; K177-I210 HydrophobicContact CB-CG1 4.15Å; K177-I210 HydrophobicContact CD-CG1 4.26Å; K177-I210 HydrophobicContact CG-CG1 3.92Å; H200-I210 WeakPolarHBondContact CA-O 3.35Å; N201-I210 PolarHBondContact N-O 3.12Å; N201-I210 PolarHBondContact O-N 3.36Å; D203-I210 HydrophobicContact CB-CD1 3.98Å |
| 211 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.3 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | F167 R175 K176 F178 L189 A193 L198 D199 H200 V209 | F167-V211 HydrophobicContact CE1-CG1 4.36Å; R175-V211 CarbonylContact C-O 3.58Å; R175-V211 WeakPolarHBondContact CA-O 3.47Å; K176-V211 PolarHBondContact N-O 3.23Å; K176-V211 PolarHBondContact O-N 2.85Å; F178-V211 HydrophobicContact CD2-CG2 4Å; F178-V211 HydrophobicContact CE2-CB 4.04Å; F178-V211 HydrophobicContact CE2-CG2 3.54Å; L189-V211 HydrophobicContact CD1-CG2 4.42Å; L189-V211 HydrophobicContact CD2-CG2 4.41Å; A193-V211 HydrophobicContact CB-CG1 4.21Å; A193-V211 HydrophobicContact CB-CG2 4.26Å; L198-V211 HydrophobicContact CB-CG1 3.5Å; L198-V211 VanDerWaalsContact CB-CG1 3.5Å; L198-V211 HydrophobicContact CD1-CG1 3.64Å; L198-V211 HydrophobicContact CD2-CG1 4.44Å; L198-V211 HydrophobicContact CG-CG1 4.06Å; D199-V211 CarbonylContact O-C 3.52Å; D199-V211 VanDerWaalsContact O-CA 3.3Å; D199-V211 WeakPolarHBondContact O-CA 3.16Å; H200-V211 HydrophobicContact CB-CG2 4.46Å; V209-V211 HydrophobicContact CG1-CG2 4.25Å |
| 212 | N | 95.7 | Very high | 92 | Very high | 21 Ų | 21 | 65.7 Ų | 65.7 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.8 | -177.3 | -50.8 | -50.4 | 0 | 0 | 0 | 109.8 | P174 R175 D199 N201 | P174-N212 WeakPolarHBondContact O-CA 3.48Å; R175-N212 WeakPolarHBondContact CB-OD1 3.48Å; R175-N212 PolarHBondContact NE-OD1 3.2Å; R175-N212 PolarHBondContact NH2-ND2 3.17Å; R175-N212 PolarHBondContact NH2-OD1 2.99Å; D199-N212 HydrophobicContact CB-CB 4.26Å; D199-N212 PolarHBondContact N-O 3.05Å; D199-N212 PolarHBondContact O-N 3.28Å; D199-N212 PolarHBondContact OD2-ND2 2.58Å; N201-N212 PolarHBondContact ND2-ND2 2.86Å |
| 213 | K | 95.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 66.3 Ų | 66.3 | 24% | 0.235 | 35% | 0.351 | C | S | . | . | trans | -71.1 | 133.5 | 168.5 | -57.6 | -170.3 | -172 | -170.2 | 0 | 109.2 | F167 I168 N170 N171 P174 | F167-K213 HydrophobicContact CD1-CG 4.44Å; F167-K213 HydrophobicContact CE1-CG 3.58Å; F167-K213 HydrophobicContact CE2-CG 4.41Å; F167-K213 HydrophobicContact CZ-CD 4.35Å; F167-K213 HydrophobicContact CZ-CG 3.58Å; F167-K213 WeakPolarHBondContact O-CE 3.39Å; F167-K213 PolarHBondContact O-NZ 3.31Å; I168-K213 PolarHBondContact O-NZ 3.3Å; N170-K213 PolarHBondContact O-NZ 3.34Å; N171-K213 PolarHBondContact OD1-NZ 2.99Å; P174-K213 PolarHBondContact O-N 3.16Å | ||
| 214 | T | 92.6 | Very high | 91.5 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 31% | 0.307 | 34% | 0.343 | S | S | . | . | trans | -126.8 | 173 | 174.6 | 74.8 | 0 | 0 | 0 | 0 | 110.6 | G197 D199 N216 T217 | G197-T214 PolarHBondContact O-OG1 3.4Å; D199-T214 HydrophobicContact CB-CG2 3.44Å; D199-T214 VanDerWaalsContact CB-CG2 3.44Å; T214-N216 PolarHBondContact O-N 2.76Å; T214-N216 PolarHBondContact OG1-N 2.95Å; T214-T217 PolarHBondContact N-OG1 3.21Å; T214-T217 WeakPolarHBondContact O-CB 3.41Å; T214-T217 PolarHBondContact O-N 3.11Å; T214-T217 VanDerWaalsContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.37Å | ||
| 215 | S | 90.9 | Very high | 91.1 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 84% | 0.839 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.9 | 171.8 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | T217 | S215-T217 VanDerWaalsContact C-N 3.33Š|
| 216 | N | 90 | Very high | 90.9 | Very high | 119 Ų | 119 | 62.7 Ų | 62.7 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.1 | -179.9 | -56.9 | -18 | 0 | 0 | 0 | 112.2 | G197 T214 R218 | G197-N216 CarbonylContact O-C 3.56Å; T214-N216 PolarHBondContact O-N 2.76Å; T214-N216 PolarHBondContact OG1-N 2.95Å; N216-R218 PolarHBondContact O-N 3.03Å |
| 217 | T | 91.3 | Very high | 90.5 | Very high | 38 Ų | 38 | 61.9 Ų | 61.9 | 23% | 0.233 | 32% | 0.315 | C | S | . | . | trans | -60.1 | 120.7 | -179.9 | -50.1 | 0 | 0 | 0 | 0 | 109.6 | I168 F196 L198 T214 S215 | I168-T217 HydrophobicContact CD1-CG2 3.76Å; I168-T217 HydrophobicContact CG1-CG2 3.82Å; I168-T217 HydrophobicContact CG2-CG2 4.22Å; F196-T217 WeakPolarHBondContact O-CA 3.38Å; L198-T217 HydrophobicContact CD2-CG2 3.48Å; L198-T217 VanDerWaalsContact CD2-CG2 3.48Å; L198-T217 WeakPolarHBondContact CD2-OG1 3.25Å; L198-T217 HydrophobicContact CG-CG2 4.21Å; T214-T217 PolarHBondContact N-OG1 3.21Å; T214-T217 WeakPolarHBondContact O-CB 3.41Å; T214-T217 PolarHBondContact O-N 3.11Å; T214-T217 VanDerWaalsContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.37Å; S215-T217 VanDerWaalsContact C-N 3.33Å | ||
| 218 | R | 90.8 | Very high | 89.9 | Confident | 115 Ų | 115 | 56.6 Ų | 56.6 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | trans | -131.3 | 145.8 | -179.9 | -176.9 | 174.2 | 174.7 | -171.7 | -3.2 | 109.6 | E130 F196 N216 P220 | E130-R218 IonicContact OE2-NH1 2.91Å; F196-R218 WeakPolarHBondContact CD1-O 3.43Å; F196-R218 PolarHBondContact O-N 3.3Å; N216-R218 PolarHBondContact O-N 3.03Å; R218-P220 WeakPolarHBondContact O-CD 3.12Å | ||
| 219 | I | 90.7 | Very high | 88.6 | Confident | 86 Ų | 86 | 64.5 Ų | 64.5 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | trans | -95 | 113.4 | 167.8 | -60.6 | 175.1 | 0 | 0 | 0 | 106.5 | L165 I168 | L165-I219 HydrophobicContact CD2-CG1 4.42Å; L165-I219 HydrophobicContact CD2-CG2 3.96Å; I168-I219 HydrophobicContact CD1-CG1 4.5Å; I168-I219 HydrophobicContact CG2-CD1 4.2Å; I168-I219 HydrophobicContact CG2-CG1 4.29Å | ||
| 220 | P | 87.4 | Confident | 86.6 | Confident | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | trans | -63 | 139.7 | 172.9 | -20.6 | 34 | 0 | 0 | 0 | 110.4 | Y195 F196 R218 Q222 | Y195-P220 HydrophobicContact CD1-CB 4.45Å; Y195-P220 HydrophobicContact CD1-CG 3.66Å; Y195-P220 HydrophobicContact CE1-CB 3.58Å; Y195-P220 HydrophobicContact CE1-CG 3.27Å; F196-P220 VanDerWaalsContact CD1-CD 3.46Å; F196-P220 HydrophobicContact CD1-CG 4.25Å; F196-P220 HydrophobicContact CE1-CG 4.14Å; F196-P220 HydrophobicContact CZ-CG 4.38Å; R218-P220 WeakPolarHBondContact O-CD 3.12Å; P220-Q222 PolarHBondContact O-N 2.89Å | ||
| 221 | D | 77.8 | Confident | 84.7 | Confident | 140 Ų | 140 | 75.5 Ų | 75.5 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -69.7 | -28.3 | -179.4 | -58.7 | -42.5 | 0 | 0 | 0 | 111.7 | ||
| 222 | Q | 83.7 | Confident | 82.8 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 34% | 0.336 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -93.4 | 115.8 | -179.2 | -156.8 | 177.3 | 8.9 | 0 | 0 | 111.3 | H140 P220 E226 H227 | H140-Q222 PolarHBondContact CE1-OE1 2.66Å; P220-Q222 PolarHBondContact O-N 2.89Å; Q222-E226 WeakPolarHBondContact CG-OE2 3.23Å; Q222-H227 VanDerWaalsContact CD-NE2 3.32Å; Q222-H227 VanDerWaalsContact CG-CE1 3.5Å; Q222-H227 WeakPolarHBondContact CG-CE1 3.16Å; Q222-H227 PolarHBondContact NE2-CE1 3.24Å; Q222-H227 PolarHBondContact NE2-NE2 3.16Å; Q222-H227 PolarHBondContact OE1-CE1 3.22Å |
| 223 | K | 89.4 | Confident | 80.8 | Confident | 73 Ų | 73 | 86.1 Ų | 86.1 | 32% | 0.317 | 45% | 0.445 | S | S | . | . | trans | -76.1 | 154.2 | 177.3 | -63.2 | -68 | -174.6 | -172.8 | 0 | 111.7 | E161 N225 E226 H227 | E161-K223 WeakPolarHBondContact OE1-CA 3.3Å; E161-K223 WeakPolarHBondContact OE1-CD 3.28Å; K223-N225 PolarHBondContact O-N 2.87Å; K223-E226 HydrophobicContact CB-CG 4.27Å; K223-E226 PolarHBondContact N-OE1 3.39Å; K223-E226 PolarHBondContact O-N 3.36Å; K223-H227 PolarHBondContact O-ND1 3.16Å | ||
| 224 | F | 88.4 | Confident | 78.8 | Confident | 4 Ų | 4 | 90.1 Ų | 90.1 | 2% | 0.018 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -64.5 | -32.1 | 174.3 | -64.4 | -12.1 | 0 | 0 | 0 | 112.1 | L143 L147 L157 L158 E161 V192 Y195 F196 E226 H227 | L143-F224 HydrophobicContact CD1-CE1 3.88Å; L143-F224 HydrophobicContact CD1-CZ 3.87Å; L143-F224 HydrophobicContact CD2-CE1 4.46Å; L143-F224 HydrophobicContact CD2-CE2 4.42Å; L143-F224 HydrophobicContact CD2-CZ 3.93Å; L143-F224 HydrophobicContact CG-CZ 4.42Å; L147-F224 HydrophobicContact CD1-CB 3.68Å; L147-F224 HydrophobicContact CD1-CD1 4.05Å; L147-F224 HydrophobicContact CD1-CG 3.89Å; L147-F224 HydrophobicContact CD2-CB 4.01Å; L147-F224 HydrophobicContact CD2-CG 4.5Å; L157-F224 HydrophobicContact CB-CD2 4.02Å; L157-F224 HydrophobicContact CB-CE2 4.24Å; L157-F224 HydrophobicContact CD2-CE2 4.43Å; L158-F224 HydrophobicContact CD2-CB 4.01Å; E161-F224 HydrophobicContact CB-CD2 3.63Å; E161-F224 HydrophobicContact CB-CE2 3.82Å; E161-F224 HydrophobicContact CB-CG 4.41Å; E161-F224 HydrophobicContact CG-CD2 4.15Å; E161-F224 HydrophobicContact CG-CE2 4.42Å; E161-F224 HydrophobicContact CG-CG 4.48Å; E161-F224 PolarHBondContact OE1-N 2.89Å; E161-F224 VanDerWaalsContact OE2-CB 3.3Å; E161-F224 WeakPolarHBondContact OE2-CB 3.48Å; E161-F224 PolarHBondContact OE2-N 3.49Å; V192-F224 HydrophobicContact CG1-CE2 4.1Å; V192-F224 HydrophobicContact CG1-CZ 4.08Å; V192-F224 HydrophobicContact CG2-CE2 4.14Å; V192-F224 HydrophobicContact CG2-CZ 4.27Å; Y195-F224 HydrophobicContact CD1-CE1 4.15Å; Y195-F224 HydrophobicContact CD1-CZ 4.39Å; Y195-F224 AromaticContact CE1-CE1 3.98Å; Y195-F224 HydrophobicContact CE1-CE1 3.98Å; F196-F224 HydrophobicContact CE2-CZ 4.3Å; F224-E226 PolarHBondContact O-N 3.41Å; F224-H227 PolarHBondContact O-N 3.32Å |
| 225 | N | 86.4 | Confident | 77.1 | Confident | 104 Ų | 104 | 94 Ų | 94 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -62.9 | -29.8 | 180 | -154.9 | 8 | 0 | 0 | 0 | 113.1 | L158 K223 H227 I228 | L158-N225 HydrophobicContact CD2-CB 4.06Å; K223-N225 PolarHBondContact O-N 2.87Å; N225-H227 PolarHBondContact O-N 3.32Å; N225-I228 PolarHBondContact O-N 3.5Å |
| 226 | E | 87.3 | Confident | 75.2 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -67.9 | -24.7 | 178.9 | -67.9 | 168.1 | -155.1 | 0 | 0 | 113.2 | Q222 K223 F224 I228 | Q222-E226 WeakPolarHBondContact CG-OE2 3.23Å; K223-E226 HydrophobicContact CB-CG 4.27Å; K223-E226 PolarHBondContact N-OE1 3.39Å; K223-E226 PolarHBondContact O-N 3.36Å; F224-E226 PolarHBondContact O-N 3.41Å; E226-I228 VanDerWaalsContact C-N 3.33Å |
| 227 | H | 83 | Confident | 73.5 | Confident | 21 Ų | 21 | 97.2 Ų | 97.2 | 10% | 0.097 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -83.5 | -14.8 | 178.8 | -68.5 | 96.3 | 0 | 0 | 0 | 113.4 | H140 V144 L147 Q222 K223 F224 N225 K229 | H140-H227 AromaticContact CE1-NE2 3.93Å; V144-H227 VanDerWaalsContact CG2-CD2 3.44Å; V144-H227 WeakPolarHBondContact CG2-CD2 3.3Å; V144-H227 VanDerWaalsContact CG2-NE2 3.26Å; V144-H227 WeakPolarHBondContact CG2-NE2 3.26Å; L147-H227 HydrophobicContact CD1-CB 4.15Å; Q222-H227 VanDerWaalsContact CD-NE2 3.32Å; Q222-H227 VanDerWaalsContact CG-CE1 3.5Å; Q222-H227 WeakPolarHBondContact CG-CE1 3.16Å; Q222-H227 PolarHBondContact NE2-CE1 3.24Å; Q222-H227 PolarHBondContact NE2-NE2 3.16Å; Q222-H227 PolarHBondContact OE1-CE1 3.22Å; K223-H227 PolarHBondContact O-ND1 3.16Å; F224-H227 PolarHBondContact O-N 3.32Å; N225-H227 PolarHBondContact O-N 3.32Å; H227-K229 VanDerWaalsContact C-N 3.32Å; H227-K229 PolarHBondContact O-N 3.27Å; H227-K229 VanDerWaalsContact O-N 3.09Å |
| 228 | I | 82.4 | Confident | 71.8 | Confident | 29 Ų | 29 | 102.1 Ų | 102.1 | 15% | 0.149 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -82.2 | 88.5 | 174.5 | -56.2 | 167.6 | 0 | 0 | 0 | 105.1 | R154 L158 N225 E226 D230 | R154-I228 HydrophobicContact CG-CD1 3.43Å; R154-I228 VanDerWaalsContact CG-CD1 3.43Å; R154-I228 HydrophobicContact CG-CG1 3.88Å; L158-I228 HydrophobicContact CD1-CD1 3.61Å; L158-I228 HydrophobicContact CD2-CD1 3.91Å; L158-I228 HydrophobicContact CG-CD1 4Å; N225-I228 PolarHBondContact O-N 3.5Å; E226-I228 VanDerWaalsContact C-N 3.33Å; I228-D230 PolarHBondContact O-N 2.79Å |
| 229 | K | 68.1 | Low | 70.4 | Confident | 173 Ų | 173 | 107.3 Ų | 107.3 | 75% | 0.752 | 52% | 0.517 | S | S | * | . | trans | -52.7 | 136.4 | 165.6 | -66.5 | -167.1 | 177.4 | -164.2 | 0 | 107.1 | H227 D231 | H227-K229 VanDerWaalsContact C-N 3.32Å; H227-K229 PolarHBondContact O-N 3.27Å; H227-K229 VanDerWaalsContact O-N 3.09Å; K229-D231 PolarHBondContact O-N 3.37Å | ||
| 230 | D | 54.6 | Low | 68.9 | Low | 137 Ų | 137 | 112.1 Ų | 112.1 | 73% | 0.733 | 53% | 0.531 | S | S | * | . | trans | -66.7 | 62.3 | -173.6 | -138.6 | 15.8 | 0 | 0 | 0 | 110.4 | I228 R232 | I228-D230 PolarHBondContact O-N 2.79Å; D230-R232 PolarHBondContact O-N 2.63Å; D230-R232 WeakPolarHBondContact OD1-CD 3.16Å; D230-R232 VanDerWaalsContact OD1-CG 3.23Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 231 | D | 55.6 | Low | 68 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | trans | -79.7 | 46.9 | 177.1 | -161.9 | 16.9 | 0 | 0 | 0 | 109.1 | K229 G233 | K229-D231 PolarHBondContact O-N 3.37Å; D231-G233 PolarHBondContact O-N 2.73Å; D231-G233 VanDerWaalsContact O-N 3.16Å | ||
| 232 | R | 57.1 | Low | 67.6 | Low | 176 Ų | 176 | 119.9 Ų | 119.9 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 6.1 | 173.8 | -52 | -172 | 92.5 | -151.4 | 6.8 | 111.3 | D230 | D230-R232 PolarHBondContact O-N 2.63Å; D230-R232 WeakPolarHBondContact OD1-CD 3.16Å; D230-R232 VanDerWaalsContact OD1-CG 3.23Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å |
| 233 | G | 54.3 | Low | 66.8 | Low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -35.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D231 | D231-G233 PolarHBondContact O-N 2.73Å; D231-G233 VanDerWaalsContact O-N 3.16Å |
| 234 | E | 53.8 | Low | 65.6 | Low | 137 Ų | 137 | 132 Ų | 132 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -32.5 | -164.5 | -149.3 | 167.1 | -158.5 | 0 | 0 | 114.8 | F236 Q237 | E234-F236 PolarHBondContact O-N 3.44Å; E234-Q237 WeakPolarHBondContact O-CG 3.41Å; E234-Q237 PolarHBondContact O-N 2.74Å |
| 235 | D | 55.1 | Low | 63.9 | Low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -5.6 | -173 | -145.4 | 14.1 | 0 | 0 | 0 | 114.2 | ||
| 236 | F | 52.2 | Low | 62.4 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 66% | 0.658 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 16.9 | 163.5 | -71.3 | -74.8 | 0 | 0 | 0 | 112.6 | E234 K238 | E234-F236 PolarHBondContact O-N 3.44Å; F236-K238 PolarHBondContact O-N 2.89Å |
| 237 | Q | 54.9 | Low | 61.1 | Low | 155 Ų | 155 | 139.6 Ų | 139.6 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | trans | -61.9 | 84.3 | 156.1 | -71.9 | -151.9 | 3.9 | 0 | 0 | 107.7 | E234 R239 | E234-Q237 WeakPolarHBondContact O-CG 3.41Å; E234-Q237 PolarHBondContact O-N 2.74Å; Q237-R239 VanDerWaalsContact C-N 3.32Å; Q237-R239 PolarHBondContact O-N 2.98Å | ||
| 238 | K | 55.3 | Low | 59.5 | Low | 141 Ų | 141 | 143.4 Ų | 143.4 | 61% | 0.613 | 70% | 0.698 | S | S | * | * | trans | -35.3 | 103.2 | 164.4 | -73 | 168.7 | -179 | 169.7 | 0 | 105.1 | F236 Y240 | F236-K238 PolarHBondContact O-N 2.89Å; K238-Y240 HydrophobicContact CB-CD2 3.64Å; K238-Y240 HydrophobicContact CB-CE2 3.59Å; K238-Y240 HydrophobicContact CB-CG 4.31Å; K238-Y240 HydrophobicContact CD-CD2 4.5Å; K238-Y240 HydrophobicContact CD-CE1 4.25Å; K238-Y240 HydrophobicContact CD-CE2 3.71Å; K238-Y240 HydrophobicContact CG-CE2 4.31Å; K238-Y240 WeakPolarHBondContact O-CD2 3.36Å; K238-Y240 PolarHBondContact O-N 2.91Å | ||
| 239 | R | 60.5 | Low | 58.1 | Low | 225 Ų | 225 | 151.1 Ų | 151.1 | 85% | 0.849 | 73% | 0.731 | S | S | * | * | trans | -58.4 | 91.4 | 144.1 | -70.4 | -166.2 | -64.7 | -94.3 | -2 | 103.1 | Q237 I241 | Q237-R239 VanDerWaalsContact C-N 3.32Å; Q237-R239 PolarHBondContact O-N 2.98Å; R239-I241 PolarHBondContact O-N 3.4Å | ||
| 240 | Y | 58.8 | Low | 57.5 | Low | 187 Ų | 187 | 149 Ų | 149 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | -59.2 | 86.2 | 158 | -75.2 | -91.5 | 0 | 0 | 0 | 103.5 | K238 L242 | K238-Y240 HydrophobicContact CB-CD2 3.64Å; K238-Y240 HydrophobicContact CB-CE2 3.59Å; K238-Y240 HydrophobicContact CB-CG 4.31Å; K238-Y240 HydrophobicContact CD-CD2 4.5Å; K238-Y240 HydrophobicContact CD-CE1 4.25Å; K238-Y240 HydrophobicContact CD-CE2 3.71Å; K238-Y240 HydrophobicContact CG-CE2 4.31Å; K238-Y240 WeakPolarHBondContact O-CD2 3.36Å; K238-Y240 PolarHBondContact O-N 2.91Å; Y240-L242 VanDerWaalsContact C-N 3.25Å; Y240-L242 PolarHBondContact O-N 3.01Å | ||
| 241 | I | 68.3 | Low | 57.6 | Low | 146 Ų | 146 | 152.1 Ų | 152.1 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -59 | 109.7 | 155.2 | -52.9 | 171 | 0 | 0 | 0 | 101.2 | R239 K243 | R239-I241 PolarHBondContact O-N 3.4Å; I241-K243 PolarHBondContact O-N 2.94Å | ||
| 242 | L | 70.8 | Confident | 57.4 | Low | 163 Ų | 163 | 152 Ų | 152 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -47.1 | 114.2 | 176.3 | -166.6 | 74.8 | 0 | 0 | 0 | 105.6 | Y240 R244 | Y240-L242 VanDerWaalsContact C-N 3.25Å; Y240-L242 PolarHBondContact O-N 3.01Å; L242-R244 PolarHBondContact O-N 3.35Å | ||
| 243 | K | 67.3 | Low | 57.2 | Low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | trans | -55.3 | 117.2 | 178.2 | -76.7 | -159.3 | 175 | -173.2 | 0 | 105 | I241 D245 | I241-K243 PolarHBondContact O-N 2.94Å; K243-D245 VanDerWaalsContact C-N 3.32Å; K243-D245 PolarHBondContact O-N 2.92Å | ||
| 244 | R | 62.7 | Low | 57.2 | Low | 223 Ų | 223 | 148.4 Ų | 148.4 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | trans | -68.4 | 106.3 | 165.1 | -162.2 | 179 | -172.6 | 100.9 | -0.5 | 103.9 | L242 N246 | L242-R244 PolarHBondContact O-N 3.35Å; R244-N246 PolarHBondContact O-N 3.28Å; R244-N246 PolarHBondContact O-OD1 3.03Å | ||
| 245 | D | 53.9 | Low | 57.4 | Low | 117 Ų | 117 | 148.7 Ų | 148.7 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | trans | -60 | 104.3 | 176.7 | -60.7 | -40.7 | 0 | 0 | 0 | 107.1 | K243 S247 | K243-D245 VanDerWaalsContact C-N 3.32Å; K243-D245 PolarHBondContact O-N 2.92Å; D245-S247 PolarHBondContact O-N 2.91Å | ||
| 246 | N | 54.9 | Low | 57.3 | Low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 22.5 | -179 | -79.7 | -10.4 | 0 | 0 | 0 | 112.4 | R244 | R244-N246 PolarHBondContact O-N 3.28Å; R244-N246 PolarHBondContact O-OD1 3.03Å |
| 247 | S | 59.5 | Low | 57.4 | Low | 113 Ų | 113 | 147.9 Ų | 147.9 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 21 | -177.6 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | D245 | D245-S247 PolarHBondContact O-N 2.91Š|
| 248 | S | 50.3 | Low | 57.4 | Low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | -125.6 | 18.1 | 173.6 | 100.6 | 0 | 0 | 0 | 0 | 115.7 | D250 | S248-D250 PolarHBondContact O-N 2.88Š| ||
| 249 | F | 53.2 | Low | 57.4 | Low | 191 Ų | 191 | 149.1 Ų | 149.1 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -87.3 | 86.4 | 165.4 | -152.4 | -91 | 0 | 0 | 0 | 107.9 | ||
| 250 | D | 55.3 | Low | 57 | Low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 179.9 | -18.3 | 132.8 | -128.8 | -104.7 | 0 | 0 | 0 | 116.3 | S248 | S248-D250 PolarHBondContact O-N 2.88Š|
| 251 | K | 56.4 | Low | 56.6 | Low | 202 Ų | 202 | 141.6 Ų | 141.6 | 88% | 0.878 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -96.4 | -11.7 | -164.5 | -80.1 | -166.6 | 172.1 | -175.8 | 0 | 118.7 | ||
| 252 | D | 50.4 | Low | 55.6 | Low | 102 Ų | 102 | 139.4 Ų | 139.4 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -125.8 | -3.4 | -175.8 | -155.6 | 29.6 | 0 | 0 | 0 | 115.7 | S254 Q255 M256 | D252-S254 PolarHBondContact O-N 3.48Å; D252-Q255 PolarHBondContact O-N 3.47Å; D252-M256 PolarHBondContact O-N 3.22Å |
| 253 | D | 53.9 | Low | 54.6 | Low | 85 Ų | 85 | 138.8 Ų | 138.8 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.4 | -16.3 | 175.4 | -160.2 | 46.9 | 0 | 0 | 0 | 112.1 | R257 | D253-R257 WeakPolarHBondContact O-CB 2.95Å; D253-R257 PolarHBondContact O-N 3.35Å; D253-R257 VanDerWaalsContact O-N 3.11Å; D253-R257 IonicContact OD2-CZ 3.89Å; D253-R257 VanDerWaalsContact OD2-CZ 3.3Å; D253-R257 IonicContact OD2-NE 2.78Å; D253-R257 PolarHBondContact OD2-NE 3.29Å; D253-R257 IonicContact OD2-NH2 3.8Å; D253-R257 PolarHBondContact OD2-NH2 3.48Å |
| 254 | S | 53.5 | Low | 53.9 | Low | 84 Ų | 84 | 140.7 Ų | 140.7 | 59% | 0.587 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.5 | -35.9 | 174.6 | -162.9 | 0 | 0 | 0 | 0 | 112.1 | D252 I258 | D252-S254 PolarHBondContact O-N 3.48Å; S254-I258 VanDerWaalsContact O-CD1 3.23Å; S254-I258 WeakPolarHBondContact O-CD1 3.48Å; S254-I258 WeakPolarHBondContact O-CG1 3.22Å |
| 255 | Q | 57.3 | Low | 53.5 | Low | 142 Ų | 142 | 139.4 Ų | 139.4 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82.5 | -41.1 | -179.6 | -64.1 | -161.3 | 23.5 | 0 | 0 | 112.7 | D252 I258 R259 | D252-Q255 PolarHBondContact O-N 3.47Å; Q255-I258 PolarHBondContact O-N 3.22Å; Q255-R259 PolarHBondContact O-N 2.66Å |
| 256 | M | 53.9 | Low | 53.7 | Low | 120 Ų | 120 | 137.7 Ų | 137.7 | 59% | 0.591 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.4 | -32.9 | 176.3 | -88.3 | -69.6 | -170.9 | 0 | 0 | 113 | D252 I258 R259 L260 | D252-M256 PolarHBondContact O-N 3.22Å; M256-I258 VanDerWaalsContact C-N 3.3Å; M256-I258 PolarHBondContact O-N 3.45Å; M256-R259 PolarHBondContact O-N 3.11Å; M256-L260 PolarHBondContact O-N 3.39Å |
| 257 | R | 53.3 | Low | 53.8 | Low | 146 Ų | 146 | 134.3 Ų | 134.3 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.3 | -20.1 | 175.6 | -164.5 | -171.7 | -68.1 | -168.4 | -3.6 | 113.1 | D253 K261 | D253-R257 WeakPolarHBondContact O-CB 2.95Å; D253-R257 PolarHBondContact O-N 3.35Å; D253-R257 VanDerWaalsContact O-N 3.11Å; D253-R257 IonicContact OD2-CZ 3.89Å; D253-R257 VanDerWaalsContact OD2-CZ 3.3Å; D253-R257 IonicContact OD2-NE 2.78Å; D253-R257 PolarHBondContact OD2-NE 3.29Å; D253-R257 IonicContact OD2-NH2 3.8Å; D253-R257 PolarHBondContact OD2-NH2 3.48Å; R257-K261 WeakPolarHBondContact O-CB 3.47Å; R257-K261 WeakPolarHBondContact O-CD 3.32Å; R257-K261 VanDerWaalsContact O-CG 3.22Å; R257-K261 WeakPolarHBondContact O-CG 3.36Å |
| 258 | I | 56.3 | Low | 54 | Low | 107 Ų | 107 | 132 Ų | 132 | 55% | 0.549 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -79.8 | -42.5 | 173 | -67.3 | 167.2 | 0 | 0 | 0 | 110.3 | S254 Q255 M256 L260 K261 | S254-I258 VanDerWaalsContact O-CD1 3.23Å; S254-I258 WeakPolarHBondContact O-CD1 3.48Å; S254-I258 WeakPolarHBondContact O-CG1 3.22Å; Q255-I258 PolarHBondContact O-N 3.22Å; M256-I258 VanDerWaalsContact C-N 3.3Å; M256-I258 PolarHBondContact O-N 3.45Å; I258-L260 PolarHBondContact O-N 2.98Å; I258-K261 PolarHBondContact O-N 3.01Å |
| 259 | R | 55 | Low | 54.8 | Low | 216 Ų | 216 | 133.4 Ų | 133.4 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.9 | -28.9 | -179.4 | -73.2 | -74.5 | -172.6 | -179.8 | 0.4 | 114.4 | Q255 M256 | Q255-R259 PolarHBondContact O-N 2.66Å; M256-R259 PolarHBondContact O-N 3.11Å |
| 260 | L | 51.1 | Low | 56 | Low | 118 Ų | 118 | 131.5 Ų | 131.5 | 62% | 0.618 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -8.4 | 174.6 | -80.5 | 166.2 | 0 | 0 | 0 | 114.2 | M256 I258 | M256-L260 PolarHBondContact O-N 3.39Å; I258-L260 PolarHBondContact O-N 2.98Å |
| 261 | K | 51.3 | Low | 57.2 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 59% | 0.591 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -23.8 | 177.8 | -95.1 | -178 | 174.2 | -171.6 | 0 | 113.7 | R257 I258 R264 R265 | R257-K261 WeakPolarHBondContact O-CB 3.47Å; R257-K261 WeakPolarHBondContact O-CD 3.32Å; R257-K261 VanDerWaalsContact O-CG 3.22Å; R257-K261 WeakPolarHBondContact O-CG 3.36Å; I258-K261 PolarHBondContact O-N 3.01Å; K261-R264 CarbonylContact O-C 3.46Å; K261-R264 PolarHBondContact O-N 3.4Å; K261-R265 PolarHBondContact O-N 3.22Å; K261-R265 VanDerWaalsContact O-N 3.15Å |
| 262 | D | 47.1 | Very low | 58.3 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -76.2 | -29 | 176.1 | -83.4 | -39.8 | 0 | 0 | 0 | 112.6 | R264 R265 | D262-R264 VanDerWaalsContact C-N 3.26Å; D262-R264 PolarHBondContact O-N 3.08Å; D262-R265 WeakPolarHBondContact O-CB 3.5Å; D262-R265 PolarHBondContact O-N 2.79Å; D262-R265 WeakPolarHBondContact OD1-CD 3.49Å; D262-R265 IonicContact OD1-CZ 3.39Å; D262-R265 IonicContact OD1-NE 3.03Å; D262-R265 PolarHBondContact OD1-NE 3.37Å; D262-R265 IonicContact OD1-NH1 3.98Å |
| 263 | D | 49.4 | Very low | 60 | Low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -12.7 | 175.1 | -143.5 | 13.5 | 0 | 0 | 0 | 112.5 | ||
| 264 | R | 52.1 | Low | 61.6 | Low | 215 Ų | 215 | 129 Ų | 129 | 81% | 0.811 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 11.1 | 167.6 | -112.6 | -176.7 | 176 | -147.6 | 0.7 | 112.9 | K261 D262 S266 | K261-R264 CarbonylContact O-C 3.46Å; K261-R264 PolarHBondContact O-N 3.4Å; D262-R264 VanDerWaalsContact C-N 3.26Å; D262-R264 PolarHBondContact O-N 3.08Å; R264-S266 PolarHBondContact O-N 2.92Å |
| 265 | R | 55.4 | Low | 63.1 | Low | 196 Ų | 196 | 129.5 Ų | 129.5 | 74% | 0.74 | 60% | 0.598 | S | S | * | * | trans | -73.5 | 72.4 | 155.9 | -78.5 | -180 | 172.7 | -171.5 | -1.8 | 107.8 | K261 D262 K267 | K261-R265 PolarHBondContact O-N 3.22Å; K261-R265 VanDerWaalsContact O-N 3.15Å; D262-R265 WeakPolarHBondContact O-CB 3.5Å; D262-R265 PolarHBondContact O-N 2.79Å; D262-R265 WeakPolarHBondContact OD1-CD 3.49Å; D262-R265 IonicContact OD1-CZ 3.39Å; D262-R265 IonicContact OD1-NE 3.03Å; D262-R265 PolarHBondContact OD1-NE 3.37Å; D262-R265 IonicContact OD1-NH1 3.98Å; R265-K267 PolarHBondContact O-N 3.45Å | ||
| 266 | S | 58.8 | Low | 64.6 | Low | 82 Ų | 82 | 130.2 Ų | 130.2 | 57% | 0.573 | 60% | 0.596 | S | S | * | * | trans | -33.8 | 130.8 | 145.7 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | R264 | R264-S266 PolarHBondContact O-N 2.92Š| ||
| 267 | K | 57.3 | Low | 66.4 | Low | 85 Ų | 85 | 128.2 Ų | 128.2 | 37% | 0.37 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -10.2 | 124.8 | 172.2 | -63.6 | -179.7 | 172.4 | 179.6 | 0 | 113.2 | R265 I269 E271 R272 E275 | R265-K267 PolarHBondContact O-N 3.45Å; K267-I269 PolarHBondContact O-N 3.31Å; K267-E271 VanDerWaalsContact CA-OE2 3.26Å; K267-E271 WeakPolarHBondContact CA-OE2 3.26Å; K267-E271 HydrophobicContact CB-CB 4.35Å; K267-E271 HydrophobicContact CB-CG 4.34Å; K267-E271 WeakPolarHBondContact CB-OE2 3.42Å; K267-R272 PolarHBondContact O-NH1 3.3Å; K267-E275 IonicContact NZ-OE1 3.48Å; K267-E275 PolarHBondContact NZ-OE1 3.49Å; K267-E275 IonicContact NZ-OE2 3.7Å; K267-E275 PolarHBondContact NZ-OE2 3.37Å |
| 268 | S | 61.8 | Low | 68.1 | Low | 65 Ų | 65 | 128.9 Ų | 128.9 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | trans | -48.5 | 145.4 | 176 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | E270 E271 R272 | S268-E270 PolarHBondContact O-N 3.25Å; S268-E270 VanDerWaalsContact O-N 3.09Å; S268-E271 PolarHBondContact N-OE2 3.36Å; S268-E271 WeakPolarHBondContact O-CB 3.36Å; S268-E271 PolarHBondContact O-N 2.62Å; S268-R272 PolarHBondContact O-N 2.86Å | ||
| 269 | I | 67.9 | Low | 69.8 | Low | 130 Ų | 130 | 126 Ų | 126 | 67% | 0.667 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -49.4 | -38.9 | 178.4 | -178.7 | 61 | 0 | 0 | 0 | 111.4 | K267 R272 E273 | K267-I269 PolarHBondContact O-N 3.31Å; I269-R272 PolarHBondContact O-N 3.22Å; I269-E273 PolarHBondContact O-N 3.47Å; I269-E273 VanDerWaalsContact O-N 3.07Å |
| 270 | E | 78.4 | Confident | 71.5 | Confident | 150 Ų | 150 | 120.9 Ų | 120.9 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.3 | -42.9 | 175.6 | -175 | 173.8 | -157.3 | 0 | 0 | 113 | S268 R272 E273 E274 | S268-E270 PolarHBondContact O-N 3.25Å; S268-E270 VanDerWaalsContact O-N 3.09Å; E270-R272 VanDerWaalsContact C-N 3.35Å; E270-R272 PolarHBondContact O-N 3.15Å; E270-E273 PolarHBondContact O-N 3.09Å; E270-E274 WeakPolarHBondContact O-CB 3.24Å; E270-E274 PolarHBondContact O-N 3.25Å |
| 271 | E | 79.9 | Confident | 73.3 | Confident | 97 Ų | 97 | 118.4 Ų | 118.4 | 45% | 0.453 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 177.7 | -173.4 | -169.3 | 170.9 | 0 | 0 | 111.7 | K267 S268 E275 | K267-E271 VanDerWaalsContact CA-OE2 3.26Å; K267-E271 WeakPolarHBondContact CA-OE2 3.26Å; K267-E271 HydrophobicContact CB-CB 4.35Å; K267-E271 HydrophobicContact CB-CG 4.34Å; K267-E271 WeakPolarHBondContact CB-OE2 3.42Å; S268-E271 PolarHBondContact N-OE2 3.36Å; S268-E271 WeakPolarHBondContact O-CB 3.36Å; S268-E271 PolarHBondContact O-N 2.62Å; E271-E275 WeakPolarHBondContact O-CB 3.49Å; E271-E275 PolarHBondContact O-N 2.75Å; E271-E275 VanDerWaalsContact O-N 3.09Å |
| 272 | R | 81.1 | Confident | 74.9 | Confident | 115 Ų | 115 | 122.6 Ų | 122.6 | 43% | 0.434 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.3 | -37.1 | 176.2 | -170.3 | -173.6 | -73.3 | 95.8 | -0.3 | 111.4 | K267 S268 I269 E270 Y276 | K267-R272 PolarHBondContact O-NH1 3.3Å; S268-R272 PolarHBondContact O-N 2.86Å; I269-R272 PolarHBondContact O-N 3.22Å; E270-R272 VanDerWaalsContact C-N 3.35Å; E270-R272 PolarHBondContact O-N 3.15Å; R272-Y276 WeakPolarHBondContact O-CB 3.48Å; R272-Y276 PolarHBondContact O-N 3.2Å; R272-Y276 VanDerWaalsContact O-N 3.09Å |
| 273 | E | 85.9 | Confident | 76.8 | Confident | 133 Ų | 133 | 123.4 Ų | 123.4 | 62% | 0.621 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.2 | -40.2 | 176.5 | -173.5 | 165.6 | -147 | 0 | 0 | 111.6 | I269 E270 E275 Y276 Q277 | I269-E273 PolarHBondContact O-N 3.47Å; I269-E273 VanDerWaalsContact O-N 3.07Å; E270-E273 PolarHBondContact O-N 3.09Å; E273-E275 VanDerWaalsContact C-N 3.34Å; E273-E275 PolarHBondContact O-N 3.25Å; E273-Y276 PolarHBondContact O-N 2.93Å; E273-Q277 WeakPolarHBondContact O-CB 3.42Å; E273-Q277 PolarHBondContact O-N 3.4Å |
| 274 | E | 87 | Confident | 78.4 | Confident | 121 Ų | 121 | 123.3 Ų | 123.3 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.3 | -37.9 | 177.1 | -158.5 | -175.6 | -155.7 | 0 | 0 | 111.9 | E270 Q277 R278 | E270-E274 WeakPolarHBondContact O-CB 3.24Å; E270-E274 PolarHBondContact O-N 3.25Å; E274-Q277 PolarHBondContact O-N 3.3Å; E274-R278 WeakPolarHBondContact O-CB 3.18Å; E274-R278 PolarHBondContact O-N 3.07Å; E274-R278 IonicContact OE2-NH2 2.89Å |
| 275 | E | 84.8 | Confident | 79.2 | Confident | 95 Ų | 95 | 116.8 Ų | 116.8 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69 | -37.9 | 174.5 | -165.6 | 176 | -142.1 | 0 | 0 | 112.1 | K267 E271 E273 A279 | K267-E275 IonicContact NZ-OE1 3.48Å; K267-E275 PolarHBondContact NZ-OE1 3.49Å; K267-E275 IonicContact NZ-OE2 3.7Å; K267-E275 PolarHBondContact NZ-OE2 3.37Å; E271-E275 WeakPolarHBondContact O-CB 3.49Å; E271-E275 PolarHBondContact O-N 2.75Å; E271-E275 VanDerWaalsContact O-N 3.09Å; E273-E275 VanDerWaalsContact C-N 3.34Å; E273-E275 PolarHBondContact O-N 3.25Å; E275-A279 VanDerWaalsContact O-CB 3.32Å; E275-A279 WeakPolarHBondContact O-CB 3.23Å; E275-A279 PolarHBondContact O-N 2.77Å |
| 276 | Y | 89.3 | Confident | 79.7 | Confident | 158 Ų | 158 | 116.2 Ų | 116.2 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.1 | -45.5 | 173 | 179.7 | -95.5 | 0 | 0 | 0 | 111.5 | R272 E273 A279 R280 | R272-Y276 WeakPolarHBondContact O-CB 3.48Å; R272-Y276 PolarHBondContact O-N 3.2Å; R272-Y276 VanDerWaalsContact O-N 3.09Å; E273-Y276 PolarHBondContact O-N 2.93Å; Y276-A279 PolarHBondContact O-N 2.87Å; Y276-R280 VanDerWaalsContact O-CB 3.24Å; Y276-R280 WeakPolarHBondContact O-CB 3.22Å; Y276-R280 PolarHBondContact O-N 3.47Å |
| 277 | Q | 91.7 | Very high | 79.6 | Confident | 77 Ų | 77 | 124 Ų | 124 | 36% | 0.36 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -40.8 | 178.8 | -166.7 | 63.6 | 36.9 | 0 | 0 | 111.1 | E273 E274 A279 R280 D281 | E273-Q277 WeakPolarHBondContact O-CB 3.42Å; E273-Q277 PolarHBondContact O-N 3.4Å; E274-Q277 PolarHBondContact O-N 3.3Å; Q277-A279 PolarHBondContact O-N 3.45Å; Q277-R280 PolarHBondContact O-N 2.94Å; Q277-D281 PolarHBondContact NE2-OD1 3.46Å; Q277-D281 WeakPolarHBondContact O-CB 3.38Å; Q277-D281 PolarHBondContact O-N 3.47Å |
| 278 | R | 88.8 | Confident | 80.7 | Confident | 160 Ų | 160 | 126 Ų | 126 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.2 | -42.3 | 173.8 | -173.1 | -177.8 | -61.9 | 154.8 | 5.5 | 112.2 | E274 R282 | E274-R278 WeakPolarHBondContact O-CB 3.18Å; E274-R278 PolarHBondContact O-N 3.07Å; E274-R278 IonicContact OE2-NH2 2.89Å; R278-R282 WeakPolarHBondContact O-CB 3.04Å; R278-R282 PolarHBondContact O-N 2.96Å; R278-R282 VanDerWaalsContact O-N 3.07Å |
| 279 | A | 90.8 | Very high | 81.7 | Confident | 46 Ų | 46 | 129.2 Ų | 129.2 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.5 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E275 Y276 Q277 R282 I283 | E275-A279 VanDerWaalsContact O-CB 3.32Å; E275-A279 WeakPolarHBondContact O-CB 3.23Å; E275-A279 PolarHBondContact O-N 2.77Å; Y276-A279 PolarHBondContact O-N 2.87Å; Q277-A279 PolarHBondContact O-N 3.45Å; A279-R282 PolarHBondContact O-N 3.09Å; A279-I283 WeakPolarHBondContact O-CB 3.41Å; A279-I283 WeakPolarHBondContact O-CD1 3.21Å; A279-I283 VanDerWaalsContact O-CG1 3.22Å; A279-I283 WeakPolarHBondContact O-CG1 3.42Å; A279-I283 PolarHBondContact O-N 3.3Å |
| 280 | R | 91.4 | Very high | 82.4 | Confident | 110 Ų | 110 | 129.1 Ų | 129.1 | 42% | 0.415 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.8 | -47.7 | 177.4 | -176 | -178.1 | 172.5 | -83.7 | 0.5 | 111.1 | Y276 Q277 R282 I283 F284 | Y276-R280 VanDerWaalsContact O-CB 3.24Å; Y276-R280 WeakPolarHBondContact O-CB 3.22Å; Y276-R280 PolarHBondContact O-N 3.47Å; Q277-R280 PolarHBondContact O-N 2.94Å; R280-R282 VanDerWaalsContact C-N 3.28Å; R280-R282 PolarHBondContact O-N 2.92Å; R280-I283 PolarHBondContact O-N 3.33Å; R280-I283 VanDerWaalsContact O-N 3.08Å; R280-F284 HydrophobicContact CB-CD2 4.44Å; R280-F284 HydrophobicContact CG-CD2 3.7Å; R280-F284 HydrophobicContact CG-CE2 4.39Å; R280-F284 HydrophobicContact CG-CG 4.5Å; R280-F284 WeakPolarHBondContact O-CB 3.48Å; R280-F284 WeakPolarHBondContact O-CD2 3.41Å; R280-F284 PolarHBondContact O-N 2.86Å |
| 281 | D | 88.8 | Confident | 82.7 | Confident | 65 Ų | 65 | 127.9 Ų | 127.9 | 35% | 0.348 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.3 | -35.9 | 178.9 | -63.4 | -16 | 0 | 0 | 0 | 110.4 | Q277 I283 S285 | Q277-D281 PolarHBondContact NE2-OD1 3.46Å; Q277-D281 WeakPolarHBondContact O-CB 3.38Å; Q277-D281 PolarHBondContact O-N 3.47Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 3.48Å; D281-S285 WeakPolarHBondContact CA-OG 3.48Å; D281-S285 WeakPolarHBondContact O-CA 3.43Å; D281-S285 WeakPolarHBondContact O-CB 3.33Å; D281-S285 PolarHBondContact O-N 2.83Å; D281-S285 PolarHBondContact O-OG 3.07Å |
| 282 | R | 85.9 | Confident | 82.9 | Confident | 224 Ų | 224 | 129.8 Ų | 129.8 | 85% | 0.845 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.8 | -35.1 | 171.6 | -178.3 | 179.8 | 175.5 | -168.7 | -0.6 | 113.6 | R278 A279 R280 | R278-R282 WeakPolarHBondContact O-CB 3.04Å; R278-R282 PolarHBondContact O-N 2.96Å; R278-R282 VanDerWaalsContact O-N 3.07Å; A279-R282 PolarHBondContact O-N 3.09Å; R280-R282 VanDerWaalsContact C-N 3.28Å; R280-R282 PolarHBondContact O-N 2.92Å |
| 283 | I | 86.9 | Confident | 83 | Confident | 117 Ų | 117 | 130.8 Ų | 130.8 | 60% | 0.6 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -90.1 | -33 | -175.1 | -66.6 | 167.8 | 0 | 0 | 0 | 111.9 | A279 R280 D281 | A279-I283 WeakPolarHBondContact O-CB 3.41Å; A279-I283 WeakPolarHBondContact O-CD1 3.21Å; A279-I283 VanDerWaalsContact O-CG1 3.22Å; A279-I283 WeakPolarHBondContact O-CG1 3.42Å; A279-I283 PolarHBondContact O-N 3.3Å; R280-I283 PolarHBondContact O-N 3.33Å; R280-I283 VanDerWaalsContact O-N 3.08Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 3.48Å |
| 284 | F | 82.9 | Confident | 82.8 | Confident | 148 Ų | 148 | 130.6 Ų | 130.6 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -118.7 | -9.1 | -167.9 | -64.2 | -79.1 | 0 | 0 | 0 | 114.3 | R280 Q286 | R280-F284 HydrophobicContact CB-CD2 4.44Å; R280-F284 HydrophobicContact CG-CD2 3.7Å; R280-F284 HydrophobicContact CG-CE2 4.39Å; R280-F284 HydrophobicContact CG-CG 4.5Å; R280-F284 WeakPolarHBondContact O-CB 3.48Å; R280-F284 WeakPolarHBondContact O-CD2 3.41Å; R280-F284 PolarHBondContact O-N 2.86Å; F284-Q286 PolarHBondContact O-N 3.09Å |
| 285 | S | 68.2 | Low | 82.4 | Confident | 79 Ų | 79 | 131.4 Ų | 131.4 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | trans | -94.1 | 80 | 170.5 | -49.7 | 0 | 0 | 0 | 0 | 109.6 | D281 | D281-S285 WeakPolarHBondContact CA-OG 3.48Å; D281-S285 WeakPolarHBondContact O-CA 3.43Å; D281-S285 WeakPolarHBondContact O-CB 3.33Å; D281-S285 PolarHBondContact O-N 2.83Å; D281-S285 PolarHBondContact O-OG 3.07Å | ||
| 286 | Q | 66.6 | Low | 82.2 | Confident | 183 Ų | 183 | 134.4 Ų | 134.4 | 86% | 0.855 | 63% | 0.629 | S | S | * | * | trans | -108.4 | 136.3 | 152.7 | -79.4 | -178 | -27.8 | 0 | 0 | 106.7 | F284 | F284-Q286 PolarHBondContact O-N 3.09Š| ||
| 287 | D | 55.8 | Low | 81.6 | Confident | 246 Ų | 246 | 132.3 Ų | 132.3 | 100% | 1.316 | 63% | 0.629 | S | S | * | * | trans | -39.3 | 0 | -176 | -70.2 | -59.1 | 0 | 0 | 0 | 116 |
Retrieved 287 of 287 residues in 920.1 ms
(Link to these results)