| 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 | 44.3 | Very low | 39.5 | Very low | 239 Ų | 239 | 146 Ų | 146 | 100% | 1.177 | 77% | 0.771 | S | S | * | * | 0 | 87.8 | 0 | -66.6 | 176.9 | -176.7 | 0 | 0 | 105 | |||||
| 2 | A | 36 | Very low | 39 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 50.4 | 126 | 69.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 3 | E | 37.8 | Very low | 38.6 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -165.1 | 141.4 | 8.5 | -106.5 | 164.3 | 124.5 | 0 | 0 | 103.2 | ||||
| 4 | Q | 40.7 | Very low | 39.1 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 52.2 | 132.6 | 93.9 | -83.8 | 178.1 | -26.3 | 0 | 0 | 112.8 | |||||
| 5 | T | 43.6 | Very low | 38.8 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | cis | -179.9 | 153 | 36.5 | -1.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | N | 38.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | trans | 72.2 | 123.9 | 134.3 | -73.9 | -19.8 | 0 | 0 | 0 | 122.3 | ||||
| 7 | R | 38.3 | Very low | 38.8 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | 85.9 | 138.8 | 76.9 | -132 | -180 | 169.7 | 152.6 | -1 | 108.5 | |||||
| 8 | E | 35.2 | Very low | 38.5 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -172.2 | 168.1 | 34.9 | -161.7 | 152.3 | -141.9 | 0 | 0 | 110.5 | ||||
| 9 | V | 42.5 | Very low | 38.3 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 144.7 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 10 | V | 41.7 | Very low | 37.9 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -147.2 | 132.5 | 144.4 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 11 | T | 35.3 | Very low | 37.7 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -65.9 | 155.2 | 172.7 | 44.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 12 | G | 34 | Very low | 37.3 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -168.2 | 91.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 13 | S | 33.4 | Very low | 37 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -76.9 | 139.3 | 162.8 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 14 | V | 46.5 | Very low | 36.9 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -135.7 | 110.1 | 158.1 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 15 | E | 34.1 | Very low | 36.6 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -68.6 | 140.4 | 161 | -65.4 | 167.9 | 140.7 | 0 | 0 | 109.9 | ||||
| 16 | T | 44.2 | Very low | 36.2 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -128.8 | 105.6 | 149.7 | 34.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 17 | T | 32.9 | Very low | 36 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | -56.5 | 143.3 | 160.1 | 29 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | N | 34.2 | Very low | 35.7 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -158.1 | 101 | 139 | -91.7 | -26.8 | 0 | 0 | 0 | 109.9 | ||||
| 19 | T | 34 | Very low | 35.7 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | -74.2 | 142.6 | 161.6 | -42.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 20 | F | 30.5 | Very low | 35.1 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | trans | -178.5 | 114.7 | 132 | -105.8 | -80.6 | 0 | 0 | 0 | 111.9 | ||||
| 21 | T | 34.8 | Very low | 34.7 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 120.3 | 139.7 | 48.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 22 | N | 34.5 | Very low | 34.6 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -19.8 | 146.6 | 135.5 | -81.3 | -23 | 0 | 0 | 0 | 113.7 | ||||
| 23 | D | 30.9 | Very low | 34.9 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | -177.3 | 170.6 | 65.9 | -136.5 | -30 | 0 | 0 | 0 | 111.8 | |||||
| 24 | H | 34.6 | Very low | 35.1 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 83.4 | 90.6 | 161.8 | -67.7 | -66.7 | 0 | 0 | 0 | 122.1 | ||||
| 25 | N | 34.7 | Very low | 34.6 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 31.4 | 100.9 | 106.3 | -123.6 | -32.9 | 0 | 0 | 0 | 117.3 | |||||
| 26 | L | 35.3 | Very low | 34.7 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -146 | 102.8 | 151 | -97.9 | 169.6 | 0 | 0 | 0 | 111.2 | S28 | L26-S28 PolarHBondContact O-N 3.02Š| ||
| 27 | R | 34.3 | Very low | 34.5 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -68.3 | 99.4 | 169.3 | -177.3 | -173.3 | -164.5 | -172.7 | 7.1 | 109.6 | ||||
| 28 | S | 32.8 | Very low | 34.9 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -102.6 | 102 | 171 | -72.9 | 0 | 0 | 0 | 0 | 111 | L26 M30 | L26-S28 PolarHBondContact O-N 3.02Å; S28-M30 PolarHBondContact O-N 3.23Å | ||
| 29 | K | 35.7 | Very low | 35 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 73% | 0.726 | 80% | 0.803 | S | S | * | * | trans | -61.4 | 120.9 | 162 | -67.8 | 172.8 | 174.6 | 178.2 | 0 | 108.3 | ||||
| 30 | M | 29.1 | Very low | 35.1 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 96% | 0.956 | 81% | 0.807 | S | S | * | * | trans | -90.1 | 115.4 | 159.5 | -87.2 | -155.5 | -153.8 | 0 | 0 | 109 | S28 | S28-M30 PolarHBondContact O-N 3.23Š| ||
| 31 | C | 32.6 | Very low | 35.2 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -75.7 | 133.9 | 170.1 | -65.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 32 | L | 34.2 | Very low | 35.2 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -66.6 | 129.9 | 162.4 | -74.5 | 154.2 | 0 | 0 | 0 | 109.6 | ||||
| 33 | P | 40.2 | Very low | 35 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -86.4 | 107.6 | 161 | 29.6 | -25.4 | 0 | 0 | 0 | 109.7 | S35 | P33-S35 PolarHBondContact O-N 3.45Š| ||
| 34 | T | 36.4 | Very low | 35.2 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -64.8 | 111.9 | 151.1 | 32.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 35 | S | 36.3 | Very low | 35.3 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -111.7 | 124.9 | 165.8 | 75.1 | 0 | 0 | 0 | 0 | 110.7 | P33 | P33-S35 PolarHBondContact O-N 3.45Š| ||
| 36 | Q | 37.2 | Very low | 35.5 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -54.8 | 150.8 | -179.7 | -66.6 | 166.8 | -52.3 | 0 | 0 | 113.7 | ||||
| 37 | G | 40.3 | Very low | 35.7 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -57.8 | 137.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 38 | K | 41.6 | Very low | 35.7 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -124.1 | 112.9 | 155.9 | -103.2 | 174.3 | 175.6 | 174.3 | 0 | 107 | I40 | K38-I40 PolarHBondContact O-N 3.24Š| ||
| 39 | G | 35 | Very low | 35.9 | Very low | 81 Ų | 81 | 145 Ų | 145 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -59.8 | 127 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 40 | I | 35.3 | Very low | 35.6 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -85 | 114.5 | 172.2 | -59.6 | 174.2 | 0 | 0 | 0 | 106.5 | K38 I42 | K38-I40 PolarHBondContact O-N 3.24Å; I40-I42 PolarHBondContact O-N 3.22Å | ||
| 41 | N | 33.1 | Very low | 36 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -80.2 | 106.9 | 175 | -163.4 | -13 | 0 | 0 | 0 | 107.9 | H43 | N41-H43 PolarHBondContact O-N 3.28Š| ||
| 42 | I | 35.3 | Very low | 36 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 98.1 | 177.9 | -55 | 177 | 0 | 0 | 0 | 107.8 | I40 I44 | I40-I42 PolarHBondContact O-N 3.22Å; I42-I44 HydrophobicContact CG2-CG1 3.92Å; I42-I44 PolarHBondContact O-N 3.13Å | ||
| 43 | H | 29.8 | Very low | 36 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -84.4 | 98 | 169.3 | -154.5 | -39.8 | 0 | 0 | 0 | 108.4 | N41 K45 | N41-H43 PolarHBondContact O-N 3.28Å; H43-K45 PolarHBondContact O-N 3.5Å | ||
| 44 | I | 36.1 | Very low | 35.6 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 106.3 | 171.5 | -57.5 | 177.5 | 0 | 0 | 0 | 107.3 | I42 | I42-I44 HydrophobicContact CG2-CG1 3.92Å; I42-I44 PolarHBondContact O-N 3.13Å | ||
| 45 | K | 35.7 | Very low | 35.4 | Very low | 181 Ų | 181 | 145 Ų | 145 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | trans | -99.8 | 104.1 | 162.7 | -94.8 | -175 | 175.7 | 179.9 | 0 | 107.7 | H43 | H43-K45 PolarHBondContact O-N 3.5Š| ||
| 46 | S | 39.9 | Very low | 35.1 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -93.7 | 98.2 | 166.5 | 50.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 47 | D | 38.3 | Very low | 34.9 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -144.9 | 98.4 | 164.7 | -92.4 | -37.4 | 0 | 0 | 0 | 108.8 | ||||
| 48 | T | 35.4 | Very low | 34.4 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -144.9 | 93.4 | 157.4 | -51.3 | 0 | 0 | 0 | 0 | 108.1 | C50 | T48-C50 PolarHBondContact O-N 3.17Š| ||
| 49 | K | 35.7 | Very low | 33.9 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | -73.1 | 109.9 | 163 | -77.9 | 177.1 | 176.6 | 173.3 | 0 | 108 | ||||
| 50 | C | 29.5 | Very low | 34 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -84.2 | 109 | 161 | -77.4 | 0 | 0 | 0 | 0 | 108.9 | T48 | T48-C50 PolarHBondContact O-N 3.17Š| ||
| 51 | Y | 38 | Very low | 33.9 | Very low | 219 Ų | 219 | 147.9 Ų | 147.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -73.5 | 120.2 | 161.1 | -105.5 | -95.6 | 0 | 0 | 0 | 108.3 | ||||
| 52 | V | 32.3 | Very low | 34 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -115.7 | 111.2 | 162.4 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | S54 | V52-S54 PolarHBondContact O-N 3.44Š| ||
| 53 | A | 34.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 150.9 Ų | 150.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -73.2 | 116 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 54 | S | 31.7 | Very low | 34.7 | Very low | 116 Ų | 116 | 149 Ų | 149 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -100.2 | 106.3 | 168.7 | -58.5 | 0 | 0 | 0 | 0 | 107.8 | V52 | V52-S54 PolarHBondContact O-N 3.44Š| ||
| 55 | R | 32.8 | Very low | 34.9 | Very low | 242 Ų | 242 | 146.5 Ų | 146.5 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -96.8 | 126.8 | 170.2 | -129.6 | 179.6 | 177.4 | -174.8 | -2 | 108.1 | ||||
| 56 | T | 30.6 | Very low | 35 | Very low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | -50.4 | 144.6 | 172.9 | 47.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 57 | N | 31.6 | Very low | 34.9 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -150.6 | 110.9 | 135.4 | -93.5 | -15.1 | 0 | 0 | 0 | 108.4 | ||||
| 58 | D | 30.4 | Very low | 34.7 | Very low | 142 Ų | 142 | 147 Ų | 147 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 140.7 | 160.5 | -77.8 | -44.4 | 0 | 0 | 0 | 110.1 | ||||
| 59 | F | 31.2 | Very low | 34.7 | Very low | 214 Ų | 214 | 146.4 Ų | 146.4 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -147.7 | 114.7 | 144.7 | -110.5 | -82.4 | 0 | 0 | 0 | 107 | ||||
| 60 | S | 36.1 | Very low | 34.5 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | trans | -82.4 | 149.4 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 61 | D | 34.8 | Very low | 34.7 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 38.3 | 146.9 | 132.9 | -54.1 | -30.4 | 0 | 0 | 0 | 119.5 | ||||
| 62 | E | 35.2 | Very low | 34.3 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | cis | -172 | -179.4 | 33.9 | -144.2 | 178.9 | 136.2 | 0 | 0 | 109.9 | ||||
| 63 | Q | 39.9 | Very low | 34.4 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 171.2 | 178.1 | -54.9 | 167.8 | -20.4 | 0 | 0 | 113.4 | ||||
| 64 | S | 38.9 | Very low | 34.2 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | cis | 174.7 | -170 | 48.4 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 65 | A | 40.9 | Very low | 34.1 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | -60.5 | 162 | -165.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 66 | T | 37.9 | Very low | 34 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 36.8 | 114.6 | 147.4 | 43.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 67 | E | 37.7 | Very low | 34.7 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | 56.9 | 120.8 | 127.3 | -101 | -179 | -166.4 | 0 | 0 | 122.5 | |||||
| 68 | T | 33.6 | Very low | 34.5 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 105.3 | 103.4 | 135.8 | -41.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 69 | S | 36.1 | Very low | 34.4 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 70.7 | 116.4 | 136.4 | -164.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 70 | G | 31.6 | Very low | 34.2 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | 115.9 | 99.4 | 126.2 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 71 | R | 32.3 | Very low | 33.9 | Very low | 229 Ų | 229 | 133.9 Ų | 133.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | 69.6 | 123.9 | 128.8 | -138.9 | -167.2 | 175.2 | 176.6 | -2.8 | 122.1 | |||||
| 72 | L | 31.2 | Very low | 33.6 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | 78 | 120.4 | 139.6 | -116.4 | 74.6 | 0 | 0 | 0 | 123.4 | ||||
| 73 | S | 32.8 | Very low | 33.3 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | 76.7 | 123.3 | 131.7 | -74 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 74 | Q | 31.6 | Very low | 32.8 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | 80.5 | 133.3 | 129.9 | -91.2 | 178.5 | -32.5 | 0 | 0 | 123.5 | |||||
| 75 | E | 29.3 | Very low | 32.5 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 91.4 | 113.3 | 143.6 | -72.1 | 177.2 | -178.2 | 0 | 0 | 121.7 | ||||
| 76 | T | 31 | Very low | 32.9 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -48.8 | 159.2 | 147.3 | 36.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 77 | P | 43.9 | Very low | 32.5 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -157 | 172.2 | 51.5 | 39.7 | -15.7 | 0 | 0 | 0 | 119.3 | |||||
| 78 | T | 28 | Very low | 32.2 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 42.8 | 136.2 | 141.7 | -37.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 79 | T | 27.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 179.1 | 135.9 | 76.4 | -30.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 80 | T | 27.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | 20.4 | 141.5 | 144.5 | 59.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 81 | S | 29.8 | Very low | 31.9 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 159.6 | 119.5 | 104.3 | 169.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 82 | K | 28.9 | Very low | 31.8 | Very low | 201 Ų | 201 | 133.6 Ų | 133.6 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 77.9 | 134.9 | 135.3 | -71.4 | 177.2 | 178.4 | 174.1 | 0 | 123.6 | ||||
| 83 | C | 29.6 | Very low | 31.8 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 163.9 | 176 | -48.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 84 | N | 29.1 | Very low | 32.1 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | -171.1 | 133.8 | 111.2 | -83.2 | -22.3 | 0 | 0 | 0 | 112.5 | |||||
| 85 | T | 31.5 | Very low | 32 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -82.3 | -170 | 166.5 | 2.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 86 | P | 49.2 | Very low | 32.1 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -131 | 179.4 | -39.1 | 32.8 | -14.8 | 0 | 0 | 0 | 111.8 | ||||
| 87 | N | 30.8 | Very low | 32.3 | Very low | 167 Ų | 167 | 138 Ų | 138 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -167.6 | 149.3 | 137.1 | -97.2 | -17.9 | 0 | 0 | 0 | 114.1 | ||||
| 88 | S | 31 | Very low | 31.6 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -89.9 | 162.7 | -170.8 | 72.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 89 | S | 31.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -171.3 | 140.8 | 132.1 | 39.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 90 | K | 31.6 | Very low | 31.8 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -62.3 | 177.3 | 167.7 | -63.9 | 170.3 | 173 | 177 | 0 | 111.7 | ||||
| 91 | S | 31.7 | Very low | 32 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | cis | -163.6 | 167.7 | 1.1 | 37.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 92 | D | 30.6 | Very low | 32.1 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | 178.6 | 155.1 | 83.3 | -86.2 | -29.4 | 0 | 0 | 0 | 111 | |||||
| 93 | E | 30.3 | Very low | 32.5 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -112.6 | 134.3 | -171.3 | -174 | -179.8 | -163.8 | 0 | 0 | 109 | ||||
| 94 | I | 39.1 | Very low | 32.6 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -133.9 | 132.6 | 170.9 | -60.3 | -179.5 | 0 | 0 | 0 | 110.6 | ||||
| 95 | N | 30 | Very low | 32.7 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -113 | 136 | -173.1 | -175.3 | 6.8 | 0 | 0 | 0 | 110.1 | ||||
| 96 | S | 31.1 | Very low | 33 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | 170.8 | 149.5 | 159.8 | -89.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 97 | K | 35.7 | Very low | 32.6 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -171.8 | 139.9 | -21.1 | -117.4 | 176.1 | -177.4 | 176 | 0 | 103.6 | ||||
| 98 | D | 29.6 | Very low | 32.9 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -59.5 | 132.9 | 178.6 | -65.6 | -54.2 | 0 | 0 | 0 | 112.8 | ||||
| 99 | I | 33 | Very low | 32.8 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -115.8 | 115.8 | 165.9 | -65 | 178.1 | 0 | 0 | 0 | 108.3 | ||||
| 100 | V | 27.7 | Very low | 32.9 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -70.3 | 118.6 | 172 | 171.3 | 0 | 0 | 0 | 0 | 108.9 | T102 | V100-T102 HydrophobicContact CG1-CG2 4.36Š| ||
| 101 | V | 31.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -91.6 | 107 | 169.7 | 177 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 102 | T | 30.5 | Very low | 33.2 | Very low | 128 Ų | 128 | 153.8 Ų | 153.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -80.2 | 114.9 | 167.1 | 41.8 | 0 | 0 | 0 | 0 | 109.8 | V100 | V100-T102 HydrophobicContact CG1-CG2 4.36Š| ||
| 103 | T | 37.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 124.4 | 168.6 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 104 | E | 31.8 | Very low | 33.1 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -159.4 | 93 | 149 | -68.8 | -157.3 | 167.9 | 0 | 0 | 111 | ||||
| 105 | N | 32.5 | Very low | 32.9 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -119.8 | 103 | 158.5 | -89.8 | -18 | 0 | 0 | 0 | 107.8 | ||||
| 106 | K | 36.8 | Very low | 32.8 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -101.7 | 90.7 | -175.2 | -146.3 | 173.9 | -169.8 | 170.7 | 0 | 108.1 | ||||
| 107 | E | 40.8 | Very low | 32.8 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -82.7 | 114.4 | 172.2 | -68.2 | -168.3 | 149.2 | 0 | 0 | 109.7 | Y109 | E107-Y109 PolarHBondContact O-N 3.06Š| ||
| 108 | N | 37 | Very low | 32.6 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 117.1 | 171.3 | -96.6 | -14.2 | 0 | 0 | 0 | 110 | I110 | N108-I110 PolarHBondContact O-N 2.65Š| ||
| 109 | Y | 28.8 | Very low | 33.6 | Very low | 202 Ų | 202 | 144 Ų | 144 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -79 | 106 | 171.3 | -156.4 | -101.5 | 0 | 0 | 0 | 108.4 | E107 I111 | E107-Y109 PolarHBondContact O-N 3.06Å; Y109-I111 HydrophobicContact CD1-CD1 3.82Å; Y109-I111 HydrophobicContact CD1-CG1 3.56Å; Y109-I111 HydrophobicContact CE1-CD1 3.91Å; Y109-I111 HydrophobicContact CE1-CG1 3.6Å; Y109-I111 PolarHBondContact O-N 2.78Å | ||
| 110 | I | 33.8 | Very low | 33.5 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -88.9 | 101.9 | 171 | -63.4 | -178.5 | 0 | 0 | 0 | 108.1 | N108 | N108-I110 PolarHBondContact O-N 2.65Š| ||
| 111 | I | 37.8 | Very low | 33.6 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 59% | 0.585 | 79% | 0.791 | S | S | * | * | trans | -73.6 | 123.3 | 165.8 | -77 | 162.1 | 0 | 0 | 0 | 108.5 | Y109 C113 | Y109-I111 HydrophobicContact CD1-CD1 3.82Å; Y109-I111 HydrophobicContact CD1-CG1 3.56Å; Y109-I111 HydrophobicContact CE1-CD1 3.91Å; Y109-I111 HydrophobicContact CE1-CG1 3.6Å; Y109-I111 PolarHBondContact O-N 2.78Å; I111-C113 PolarHBondContact O-N 3.2Å | ||
| 112 | S | 32.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 110.3 | 162.3 | 154.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 113 | C | 30.4 | Very low | 33.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -115 | 104.3 | 158 | -68.4 | 0 | 0 | 0 | 0 | 107.7 | I111 | I111-C113 PolarHBondContact O-N 3.2Š| ||
| 114 | V | 28.6 | Very low | 33.6 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -103.2 | 119.3 | 161.1 | -179 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 115 | S | 33.6 | Very low | 33.4 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -138.6 | 124.1 | 163.7 | 49.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 116 | D | 29.8 | Very low | 33.2 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -54.3 | 132.6 | 174.7 | -60.1 | -66.5 | 0 | 0 | 0 | 112.7 | ||||
| 117 | V | 30.8 | Very low | 33 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -149.7 | 126.2 | 145 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 118 | D | 30.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -117.8 | 173.7 | 170.6 | -136.8 | 7 | 0 | 0 | 0 | 107.1 | ||||
| 119 | P | 50.7 | Low | 32.2 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | -119.1 | 155.5 | -81 | 34.7 | -20.8 | 0 | 0 | 0 | 112.6 | |||||
| 120 | S | 30.7 | Very low | 32.1 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -168.7 | 144.3 | 147.4 | 78.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 121 | S | 31 | Very low | 32.1 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 80.2 | 96.9 | 140.8 | -173 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 122 | A | 34 | Very low | 31.9 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | 65.8 | 117.4 | 123.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 123 | G | 29.2 | Very low | 31.9 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | 103.7 | 103.4 | 129.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 124 | S | 34.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | -180 | 121.8 | 121.7 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 125 | T | 29.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -41.8 | 141.3 | 168 | -48.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 126 | C | 28.7 | Very low | 32.5 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | 173.2 | 122.4 | 115.2 | -94 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 127 | Q | 31 | Very low | 32.8 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 68 | 108.6 | 145.6 | -54.5 | -174.6 | 10.5 | 0 | 0 | 117.7 | ||||
| 128 | V | 27.5 | Very low | 33.1 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 54.3 | 87 | 61.1 | -169.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 129 | I | 33.8 | Very low | 33.3 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -132.4 | 118.9 | 138.2 | -60.2 | -178.8 | 0 | 0 | 0 | 106.4 | ||||
| 130 | T | 28 | Very low | 32.6 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -107.4 | 117.4 | 174.7 | -34.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 131 | E | 32.5 | Very low | 33 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -140.6 | 131.4 | 149.9 | -75.7 | -162.1 | 164.1 | 0 | 0 | 109.9 | ||||
| 132 | T | 33.8 | Very low | 33.3 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -87.9 | 141.5 | -170.4 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 133 | S | 32.5 | Very low | 33.7 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | 178.7 | 113.9 | 126.3 | 42.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 134 | S | 36.9 | Very low | 34.3 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 22.4 | 119.8 | 136 | 53.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 135 | T | 33.2 | Very low | 35.2 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | -166.4 | 134.6 | 98.6 | -9.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 136 | D | 35.9 | Very low | 36.2 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -58.9 | 131 | 174.6 | -73 | -51.5 | 0 | 0 | 0 | 112.3 | ||||
| 137 | T | 35.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -149.1 | 99.9 | 146.4 | -8.9 | 0 | 0 | 0 | 0 | 107.7 | T139 | T137-T139 PolarHBondContact O-N 3.38Š| ||
| 138 | A | 36.7 | Very low | 39.7 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -57.3 | 98.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | T140 | A138-T140 VanDerWaalsContact C-N 3.29Å; A138-T140 PolarHBondContact O-N 2.93Å; A138-T140 VanDerWaalsContact O-N 3.08Å | ||
| 139 | T | 34.3 | Very low | 41.6 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | -78.4 | 90.4 | 165.9 | -59.4 | 0 | 0 | 0 | 0 | 106.3 | T137 L141 | T137-T139 PolarHBondContact O-N 3.38Å; T139-L141 PolarHBondContact O-N 2.94Å | ||
| 140 | T | 36.6 | Very low | 43.5 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | trans | -53.9 | 109.1 | 165.6 | -53.8 | 0 | 0 | 0 | 0 | 108 | A138 L142 | A138-T140 VanDerWaalsContact C-N 3.29Å; A138-T140 PolarHBondContact O-N 2.93Å; A138-T140 VanDerWaalsContact O-N 3.08Å; T140-L142 PolarHBondContact O-N 3.24Å | ||
| 141 | L | 39.4 | Very low | 45.8 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -59.4 | 102.5 | 166 | -72.1 | 167.4 | 0 | 0 | 0 | 107.5 | T139 | T139-L141 PolarHBondContact O-N 2.94Š| ||
| 142 | L | 36.9 | Very low | 48.1 | Very low | 151 Ų | 151 | 120.6 Ų | 120.6 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -67.2 | 129.9 | 171.6 | -75.9 | 169 | 0 | 0 | 0 | 108.5 | T140 L144 | T140-L142 PolarHBondContact O-N 3.24Å; L142-L144 PolarHBondContact O-N 3.39Å | ||
| 143 | P | 42.8 | Very low | 50.5 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | trans | -59.9 | 130.8 | 168.1 | -15.9 | 28.7 | 0 | 0 | 0 | 108.6 | T145 | P143-T145 PolarHBondContact O-N 2.82Š| ||
| 144 | L | 41.8 | Very low | 53.2 | Low | 179 Ų | 179 | 117.4 Ų | 117.4 | 94% | 0.937 | 68% | 0.683 | S | S | * | * | trans | -65.3 | 81.4 | 169.1 | -75.3 | 159.2 | 0 | 0 | 0 | 108.7 | L142 P146 | L142-L144 PolarHBondContact O-N 3.39Å; L144-P146 WeakPolarHBondContact O-CD 3.37Å | ||
| 145 | T | 51.4 | Low | 55.6 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 72% | 0.718 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122.8 | 165.3 | 43.4 | 0 | 0 | 0 | 0 | 107.7 | P143 S147 | P143-T145 PolarHBondContact O-N 2.82Å; T145-S147 PolarHBondContact O-N 3.21Å |
| 146 | P | 51.1 | Low | 58.2 | Low | 85 Ų | 85 | 111.3 Ų | 111.3 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 135.2 | 171.2 | 20.8 | -29 | 0 | 0 | 0 | 109 | L144 K148 | L144-P146 WeakPolarHBondContact O-CD 3.37Å; P146-K148 PolarHBondContact O-N 3.12Å |
| 147 | S | 64.3 | Low | 60.7 | Low | 77 Ų | 77 | 104.9 Ų | 104.9 | 54% | 0.538 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 133.8 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 108.7 | T145 Q149 A150 | T145-S147 PolarHBondContact O-N 3.21Å; S147-Q149 PolarHBondContact O-N 3.44Å; S147-A150 PolarHBondContact O-N 3.2Å |
| 148 | K | 68.6 | Low | 63.2 | Low | 186 Ų | 186 | 101.6 Ų | 101.6 | 81% | 0.809 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -48.3 | -24.3 | 178.8 | -66.6 | -177.7 | 177.2 | -178.8 | 0 | 114.4 | P146 A152 | P146-K148 PolarHBondContact O-N 3.12Å; K148-A152 PolarHBondContact O-N 2.79Å |
| 149 | Q | 68.4 | Low | 65.6 | Low | 151 Ų | 151 | 101.4 Ų | 101.4 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.1 | -37.3 | 176.3 | -166.5 | 67 | 14.4 | 0 | 0 | 113.5 | S147 A152 D153 | S147-Q149 PolarHBondContact O-N 3.44Å; Q149-A152 PolarHBondContact O-N 3.4Å; Q149-D153 PolarHBondContact O-N 3.4Å; Q149-D153 VanDerWaalsContact O-N 3.15Å |
| 150 | A | 73.3 | Confident | 68.2 | Low | 42 Ų | 42 | 100.1 Ų | 100.1 | 35% | 0.347 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.8 | -38.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | S147 A152 D153 D154 | S147-A150 PolarHBondContact O-N 3.2Å; A150-A152 VanDerWaalsContact C-N 3.32Å; A150-A152 PolarHBondContact O-N 2.72Å; A150-D153 PolarHBondContact O-N 2.93Å; A150-D154 PolarHBondContact O-N 3.41Å |
| 151 | E | 76.4 | Confident | 70.6 | Confident | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -36.1 | 176.2 | -65.4 | -174.5 | 160.4 | 0 | 0 | 112.2 | A155 | E151-A155 WeakPolarHBondContact O-CB 3.49Å; E151-A155 PolarHBondContact O-N 3.25Å |
| 152 | A | 79.4 | Confident | 72.9 | Confident | 58 Ų | 58 | 94.8 Ų | 94.8 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K148 Q149 A150 A155 E156 | K148-A152 PolarHBondContact O-N 2.79Å; Q149-A152 PolarHBondContact O-N 3.4Å; A150-A152 VanDerWaalsContact C-N 3.32Å; A150-A152 PolarHBondContact O-N 2.72Å; A152-A155 PolarHBondContact O-N 3.37Å; A152-E156 PolarHBondContact O-N 3.07Å |
| 153 | D | 85.4 | Confident | 75.3 | Confident | 105 Ų | 105 | 93.4 Ų | 93.4 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 177 | -168 | 48.4 | 0 | 0 | 0 | 112 | Q149 A150 A155 E156 T157 | Q149-D153 PolarHBondContact O-N 3.4Å; Q149-D153 VanDerWaalsContact O-N 3.15Å; A150-D153 PolarHBondContact O-N 2.93Å; D153-A155 PolarHBondContact O-N 3.15Å; D153-E156 PolarHBondContact O-N 2.74Å; D153-T157 WeakPolarHBondContact O-CB 3.33Å; D153-T157 PolarHBondContact O-N 3.23Å; D153-T157 PolarHBondContact O-OG1 3.12Å |
| 154 | D | 89.6 | Confident | 77.4 | Confident | 68 Ų | 68 | 93.8 Ų | 93.8 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 175 | -75 | -13.9 | 0 | 0 | 0 | 111.3 | A150 T157 L158 V311 | A150-D154 PolarHBondContact O-N 3.41Å; D154-T157 WeakPolarHBondContact O-CB 3.34Å; D154-T157 PolarHBondContact O-N 2.8Å; D154-L158 PolarHBondContact O-N 3.3Å; D154-V311 HydrophobicContact CB-CG1 3.66Å |
| 155 | A | 86.3 | Confident | 79.7 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 49% | 0.488 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E151 A152 D153 L158 R159 | E151-A155 WeakPolarHBondContact O-CB 3.49Å; E151-A155 PolarHBondContact O-N 3.25Å; A152-A155 PolarHBondContact O-N 3.37Å; D153-A155 PolarHBondContact O-N 3.15Å; A155-L158 PolarHBondContact O-N 3.24Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 3.49Å |
| 156 | E | 88.2 | Confident | 81.7 | Confident | 58 Ų | 58 | 81 Ų | 81 | 27% | 0.271 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 175.3 | 175.3 | 58.3 | -168.2 | 0 | 0 | 111.6 | A152 D153 L158 R159 R160 | A152-E156 PolarHBondContact O-N 3.07Å; D153-E156 PolarHBondContact O-N 2.74Å; E156-L158 PolarHBondContact O-N 3.23Å; E156-R159 WeakPolarHBondContact O-CB 3.19Å; E156-R159 PolarHBondContact O-N 3.33Å; E156-R159 IonicContact OE1-CZ 3.5Å; E156-R159 IonicContact OE1-NE 3.83Å; E156-R159 IonicContact OE1-NH2 3.4Å; E156-R159 PolarHBondContact OE1-NH2 2.95Å; E156-R159 IonicContact OE2-CZ 3.81Å; E156-R159 IonicContact OE2-NE 3.82Å; E156-R159 PolarHBondContact OE2-NE 2.98Å; E156-R159 IonicContact OE2-NH2 3.51Å; E156-R159 PolarHBondContact OE2-NH2 2.87Å; E156-R160 PolarHBondContact O-N 3.3Å; E156-R160 IonicContact OE1-CZ 2.72Å; E156-R160 IonicContact OE1-NE 2.93Å; E156-R160 PolarHBondContact OE1-NE 2.91Å; E156-R160 IonicContact OE1-NH2 3.62Å; E156-R160 PolarHBondContact OE1-NH2 3.37Å |
| 157 | T | 87.7 | Confident | 83.8 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 16% | 0.16 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | D153 D154 R159 R160 A161 V167 T308 A312 | D153-T157 WeakPolarHBondContact O-CB 3.33Å; D153-T157 PolarHBondContact O-N 3.23Å; D153-T157 PolarHBondContact O-OG1 3.12Å; D154-T157 WeakPolarHBondContact O-CB 3.34Å; D154-T157 PolarHBondContact O-N 2.8Å; T157-R159 VanDerWaalsContact C-N 3.35Å; T157-R159 PolarHBondContact O-N 3.2Å; T157-R160 PolarHBondContact O-N 2.78Å; T157-A161 WeakPolarHBondContact O-CB 3.48Å; T157-A161 PolarHBondContact O-N 3.47Å; T157-A161 VanDerWaalsContact O-N 3.08Å; T157-V167 HydrophobicContact CG2-CG2 4.14Å; T157-T308 HydrophobicContact CG2-CG2 4.02Å; T157-A312 HydrophobicContact CG2-CB 3.93Å |
| 158 | L | 88.2 | Confident | 85.3 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176 | 179.1 | 63.8 | 0 | 0 | 0 | 112.3 | D154 A155 E156 R162 A312 D313 | D154-L158 PolarHBondContact O-N 3.3Å; A155-L158 PolarHBondContact O-N 3.24Å; E156-L158 PolarHBondContact O-N 3.23Å; L158-R162 HydrophobicContact CD1-CG 4.49Å; L158-R162 WeakPolarHBondContact O-CG 3.46Å; L158-R162 PolarHBondContact O-N 2.97Å; L158-R162 VanDerWaalsContact O-N 3.12Å; L158-A312 WeakPolarHBondContact CD1-O 3.36Å; L158-D313 HydrophobicContact CD1-CB 3.69Å |
| 159 | R | 88.8 | Confident | 86.7 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.9 | -51 | 178.3 | -171.2 | -168.4 | 66.9 | 78.3 | 4.7 | 111.2 | A155 E156 T157 A161 R162 E163 | A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 3.49Å; E156-R159 WeakPolarHBondContact O-CB 3.19Å; E156-R159 PolarHBondContact O-N 3.33Å; E156-R159 IonicContact OE1-CZ 3.5Å; E156-R159 IonicContact OE1-NE 3.83Å; E156-R159 IonicContact OE1-NH2 3.4Å; E156-R159 PolarHBondContact OE1-NH2 2.95Å; E156-R159 IonicContact OE2-CZ 3.81Å; E156-R159 IonicContact OE2-NE 3.82Å; E156-R159 PolarHBondContact OE2-NE 2.98Å; E156-R159 IonicContact OE2-NH2 3.51Å; E156-R159 PolarHBondContact OE2-NH2 2.87Å; T157-R159 VanDerWaalsContact C-N 3.35Å; T157-R159 PolarHBondContact O-N 3.2Å; R159-A161 PolarHBondContact O-N 2.86Å; R159-R162 PolarHBondContact O-N 3.21Å; R159-E163 HydrophobicContact CG-CG 4.44Å; R159-E163 WeakPolarHBondContact CG-OE1 2.87Å; R159-E163 IonicContact CZ-OE2 3.55Å; R159-E163 IonicContact NH1-OE1 2.65Å; R159-E163 IonicContact NH1-OE2 2.83Å; R159-E163 PolarHBondContact NH1-OE2 2.99Å; R159-E163 WeakPolarHBondContact O-CB 3.45Å; R159-E163 WeakPolarHBondContact O-CG 2.98Å; R159-E163 PolarHBondContact O-N 3.08Å |
| 160 | R | 87.4 | Confident | 88 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 178 | -70.5 | -171.7 | -170.9 | 179.8 | -0.1 | 112 | E156 T157 R162 E163 E164 G165 | E156-R160 PolarHBondContact O-N 3.3Å; E156-R160 IonicContact OE1-CZ 2.72Å; E156-R160 IonicContact OE1-NE 2.93Å; E156-R160 PolarHBondContact OE1-NE 2.91Å; E156-R160 IonicContact OE1-NH2 3.62Å; E156-R160 PolarHBondContact OE1-NH2 3.37Å; T157-R160 PolarHBondContact O-N 2.78Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 PolarHBondContact O-N 2.98Å; R160-E163 PolarHBondContact O-N 3.5Å; R160-E164 WeakPolarHBondContact O-CA 3.28Å; R160-E164 VanDerWaalsContact O-CB 3.31Å; R160-E164 WeakPolarHBondContact O-CB 3.4Å; R160-E164 PolarHBondContact O-N 3.08Å; R160-G165 PolarHBondContact O-N 3.04Å |
| 161 | A | 88.5 | Confident | 89 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | T157 R159 G165 S166 A312 L314 | T157-A161 WeakPolarHBondContact O-CB 3.48Å; T157-A161 PolarHBondContact O-N 3.47Å; T157-A161 VanDerWaalsContact O-N 3.08Å; R159-A161 PolarHBondContact O-N 2.86Å; A161-G165 WeakPolarHBondContact O-CA 3.15Å; A161-G165 PolarHBondContact O-N 3.19Å; A161-S166 VanDerWaalsContact CA-O 3.28Å; A161-S166 WeakPolarHBondContact CA-O 3.47Å; A161-S166 PolarHBondContact N-O 2.85Å; A161-A312 HydrophobicContact CB-CB 3.75Å; A161-A312 WeakPolarHBondContact CB-O 3.49Å; A161-L314 HydrophobicContact CB-CD1 3.98Å |
| 162 | R | 86.4 | Confident | 89.8 | Confident | 156 Ų | 156 | 61.8 Ų | 61.8 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -73.7 | -47.5 | 177.6 | -74.1 | 179.7 | 174.5 | -105.6 | -9.8 | 112.5 | L158 R159 R160 D313 K354 | L158-R162 HydrophobicContact CD1-CG 4.49Å; L158-R162 WeakPolarHBondContact O-CG 3.46Å; L158-R162 PolarHBondContact O-N 2.97Å; L158-R162 VanDerWaalsContact O-N 3.12Å; R159-R162 PolarHBondContact O-N 3.21Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 PolarHBondContact O-N 2.98Å; R162-D313 IonicContact NH2-OD2 2.74Å; R162-D313 PolarHBondContact NH2-OD2 2.99Å; R162-K354 PolarHBondContact O-NZ 3.2Å |
| 163 | E | 86.5 | Confident | 90.4 | Very high | 122 Ų | 122 | 59.6 Ų | 59.6 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -77.6 | -56.6 | -173.8 | -67.7 | 176.4 | -164.8 | 0 | 0 | 111.4 | R159 R160 K354 | R159-E163 HydrophobicContact CG-CG 4.44Å; R159-E163 WeakPolarHBondContact CG-OE1 2.87Å; R159-E163 IonicContact CZ-OE2 3.55Å; R159-E163 IonicContact NH1-OE1 2.65Å; R159-E163 IonicContact NH1-OE2 2.83Å; R159-E163 PolarHBondContact NH1-OE2 2.99Å; R159-E163 WeakPolarHBondContact O-CB 3.45Å; R159-E163 WeakPolarHBondContact O-CG 2.98Å; R159-E163 PolarHBondContact O-N 3.08Å; R160-E163 PolarHBondContact O-N 3.5Å; E163-K354 PolarHBondContact O-NZ 3.48Å |
| 164 | E | 87.8 | Confident | 90.8 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -23.1 | -173.6 | -59.1 | 173.1 | -161.2 | 0 | 0 | 112.4 | R160 S166 | R160-E164 WeakPolarHBondContact O-CA 3.28Å; R160-E164 VanDerWaalsContact O-CB 3.31Å; R160-E164 WeakPolarHBondContact O-CB 3.4Å; R160-E164 PolarHBondContact O-N 3.08Å; E164-S166 VanDerWaalsContact C-N 3.29Å; E164-S166 WeakPolarHBondContact CB-OG 3.39Å; E164-S166 PolarHBondContact OE2-OG 3.32Å |
| 165 | G | 90.4 | Very high | 91 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 74.2 | 22.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R160 A161 Q356 V357 | R160-G165 PolarHBondContact O-N 3.04Å; A161-G165 WeakPolarHBondContact O-CA 3.15Å; A161-G165 PolarHBondContact O-N 3.19Å; G165-Q356 CarbonylContact O-C 3.15Å; G165-Q356 WeakPolarHBondContact O-CA 3.43Å; G165-Q356 PolarHBondContact O-OE1 2.82Å; G165-V357 PolarHBondContact O-N 3.26Å |
| 166 | S | 93.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.6 | -174.5 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | A161 E164 V357 | A161-S166 VanDerWaalsContact CA-O 3.28Å; A161-S166 WeakPolarHBondContact CA-O 3.47Å; A161-S166 PolarHBondContact N-O 2.85Å; E164-S166 VanDerWaalsContact C-N 3.29Å; E164-S166 WeakPolarHBondContact CB-OG 3.39Å; E164-S166 PolarHBondContact OE2-OG 3.32Å; S166-V357 CarbonylContact C-O 3.53Å; S166-V357 VanDerWaalsContact CA-O 3.31Å; S166-V357 WeakPolarHBondContact CA-O 3.48Å |
| 167 | V | 95.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.9 | 169.5 | 70.6 | 0 | 0 | 0 | 0 | 109.2 | T157 T308 L309 A312 L314 V357 I358 S359 | T157-V167 HydrophobicContact CG2-CG2 4.14Å; V167-T308 HydrophobicContact CG2-CG2 3.47Å; V167-T308 VanDerWaalsContact CG2-CG2 3.47Å; V167-L309 HydrophobicContact CG1-CD2 3.75Å; V167-A312 HydrophobicContact CB-CB 4.34Å; V167-A312 HydrophobicContact CG2-CB 3.83Å; V167-L314 HydrophobicContact CB-CD2 4.35Å; V167-L314 HydrophobicContact CG1-CD2 3.77Å; V167-V357 PolarHBondContact N-O 2.98Å; V167-I358 HydrophobicContact CG1-CB 4.14Å; V167-I358 HydrophobicContact CG1-CG1 4Å; V167-I358 HydrophobicContact CG1-CG2 4.01Å; V167-S359 PolarHBondContact O-N 3.04Å |
| 168 | E | 95.8 | Very high | 92.1 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.6 | 178.1 | -170 | -179.3 | 174.1 | 0 | 0 | 109.9 | S359 | E168-S359 CarbonylContact C-O 3.54Å; E168-S359 WeakPolarHBondContact CA-O 3.28Å |
| 169 | V | 96.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 107.7 | 177.2 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | F171 Q304 V305 T308 S359 L360 S361 | V169-F171 HydrophobicContact CG1-CD1 4.4Å; V169-F171 HydrophobicContact CG1-CE1 3.87Å; V169-F171 HydrophobicContact CG1-CZ 4.27Å; V169-Q304 HydrophobicContact CG1-CG 4.05Å; V169-V305 HydrophobicContact CG1-CG2 3.98Å; V169-T308 HydrophobicContact CG2-CG2 4.15Å; V169-S359 PolarHBondContact N-O 3.49Å; V169-L360 HydrophobicContact CB-CD2 3.79Å; V169-L360 HydrophobicContact CG1-CD2 4.48Å; V169-L360 HydrophobicContact CG2-CD2 4.07Å; V169-S361 PolarHBondContact O-N 3.39Å |
| 170 | M | 95.8 | Very high | 93 | Very high | 90 Ų | 90 | 50.9 Ų | 50.9 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.9 | 179.6 | -174.2 | 179.9 | -67.2 | 0 | 0 | 111.4 | Q304 D363 | M170-Q304 PolarHBondContact O-NE2 3.48Å; M170-D363 HydrophobicContact CG-CB 4.13Å; M170-D363 HydrophobicContact SD-CB 4.04Å |
| 171 | F | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 138.5 | 175.9 | -59 | -54.6 | 0 | 0 | 0 | 111.4 | V169 G173 V175 F183 L296 C301 V305 L360 S361 D363 | V169-F171 HydrophobicContact CG1-CD1 4.4Å; V169-F171 HydrophobicContact CG1-CE1 3.87Å; V169-F171 HydrophobicContact CG1-CZ 4.27Å; F171-G173 PolarHBondContact O-N 3.35Å; F171-V175 HydrophobicContact CD2-CG1 3.89Å; F171-V175 HydrophobicContact CE2-CG1 4.34Å; F171-V175 HydrophobicContact CG-CG1 4.23Å; F171-F183 HydrophobicContact CE2-CD2 4.36Å; F171-F183 AromaticContact CE2-CE2 3.86Å; F171-F183 HydrophobicContact CE2-CE2 3.86Å; F171-F183 HydrophobicContact CZ-CD2 4.25Å; F171-F183 AromaticContact CZ-CE2 3.87Å; F171-F183 HydrophobicContact CZ-CE2 3.87Å; F171-F183 HydrophobicContact CZ-CZ 4.26Å; F171-L296 HydrophobicContact CB-CD1 3.98Å; F171-C301 HydrophobicContact CD1-CB 3.97Å; F171-C301 HydrophobicContact CE1-CB 3.61Å; F171-C301 HydrophobicContact CZ-CB 4.15Å; F171-V305 HydrophobicContact CE1-CG2 3.89Å; F171-V305 HydrophobicContact CZ-CG2 3.75Å; F171-L360 HydrophobicContact CE2-CB 4.06Å; F171-L360 HydrophobicContact CE2-CD1 4.49Å; F171-L360 HydrophobicContact CZ-CD2 4.29Å; F171-S361 WeakPolarHBondContact CD2-O 3.46Å; F171-S361 PolarHBondContact N-O 2.87Å; F171-D363 PolarHBondContact O-N 3.15Å |
| 172 | P | 93 | Very high | 94 | Very high | 56 Ų | 56 | 50.9 Ų | 50.9 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -75.9 | 12.5 | -178.3 | 32.6 | -37.7 | 0 | 0 | 0 | 114 | L296 | P172-L296 HydrophobicContact CG-CD1 4.05Š|
| 173 | G | 91.9 | Very high | 94.5 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -178 | -179.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F171 C362 | F171-G173 PolarHBondContact O-N 3.35Å; G173-C362 PolarHBondContact O-SG 3.11Å |
| 174 | L | 93.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | trans | -74 | 154.6 | -176.3 | -55.2 | -177.2 | 0 | 0 | 0 | 112 | I288 A290 L296 V367 | L174-I288 HydrophobicContact CD2-CB 3.58Å; L174-I288 HydrophobicContact CD2-CG2 3.42Å; L174-I288 VanDerWaalsContact CD2-CG2 3.42Å; L174-A290 HydrophobicContact CB-CB 3.72Å; L174-A290 HydrophobicContact CD1-CB 4.4Å; L174-L296 WeakPolarHBondContact O-CG 3.28Å; L174-L296 PolarHBondContact O-N 2.92Å; L174-V367 HydrophobicContact CD2-CB 4.35Å; L174-V367 HydrophobicContact CD2-CG1 3.7Å; L174-V367 HydrophobicContact CD2-CG2 3.59Å; L174-V367 HydrophobicContact CG-CG1 4.47Å; L174-V367 HydrophobicContact CG-CG2 4.28Å | ||
| 175 | V | 94.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 156.9 | 177 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | F171 F183 V287 I288 L289 A290 | F171-V175 HydrophobicContact CD2-CG1 3.89Å; F171-V175 HydrophobicContact CE2-CG1 4.34Å; F171-V175 HydrophobicContact CG-CG1 4.23Å; V175-F183 HydrophobicContact CB-CE2 4.29Å; V175-F183 HydrophobicContact CB-CZ 4.47Å; V175-F183 HydrophobicContact CG1-CE2 4.18Å; V175-F183 HydrophobicContact CG1-CZ 4.21Å; V175-F183 HydrophobicContact CG2-CE2 4.39Å; V175-V287 HydrophobicContact CG2-CG1 3.17Å; V175-I288 PolarHBondContact N-O 3.44Å; V175-L289 HydrophobicContact CG2-CD2 4.39Å; V175-L289 CarbonylContact O-C 3.51Å; V175-L289 VanDerWaalsContact O-CA 3.26Å; V175-L289 WeakPolarHBondContact O-CA 3.39Å; V175-A290 PolarHBondContact O-N 3.1Å |
| 176 | T | 94.9 | Very high | 96 | Very high | 39 Ų | 39 | 34 Ų | 34 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | trans | -83.5 | 159.9 | 173.2 | 59.9 | 0 | 0 | 0 | 0 | 112 | E178 G179 C180 S295 | T176-E178 VanDerWaalsContact C-N 3.3Å; T176-E178 PolarHBondContact O-N 3.49Å; T176-G179 WeakPolarHBondContact O-CA 3.31Å; T176-G179 PolarHBondContact O-N 3.48Å; T176-G179 VanDerWaalsContact O-N 3.1Å; T176-G179 PolarHBondContact OG1-N 2.99Å; T176-C180 PolarHBondContact O-N 3.04Å; T176-C180 PolarHBondContact O-SG 3.36Å; T176-S295 VanDerWaalsContact CG2-CB 3.5Å; T176-S295 WeakPolarHBondContact CG2-OG 3.35Å; T176-S295 PolarHBondContact N-OG 2.5Å | ||
| 177 | Q | 94.8 | Very high | 96.3 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 171 | -174.3 | 167.3 | -0.6 | 0 | 0 | 111.7 | G179 C180 C181 F257 S260 L289 | Q177-G179 VanDerWaalsContact C-N 3.31Å; Q177-G179 PolarHBondContact O-N 3.05Å; Q177-C180 WeakPolarHBondContact O-CB 3.31Å; Q177-C180 PolarHBondContact O-N 2.56Å; Q177-C181 PolarHBondContact O-N 2.98Å; Q177-C181 VanDerWaalsContact O-N 3.08Å; Q177-F257 VanDerWaalsContact CG-O 3.27Å; Q177-F257 WeakPolarHBondContact CG-O 3.39Å; Q177-F257 PolarHBondContact NE2-O 3.27Å; Q177-S260 PolarHBondContact NE2-O 3.43Å; Q177-L289 HydrophobicContact CB-CD1 4.31Å |
| 178 | E | 95.3 | Very high | 96.4 | Very high | 148 Ų | 148 | 32.5 Ų | 32.5 | 69% | 0.692 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -59.4 | -42.5 | 170.5 | -173.6 | -173.2 | 170.8 | 0 | 0 | 111.3 | T176 C180 C181 R182 | T176-E178 VanDerWaalsContact C-N 3.3Å; T176-E178 PolarHBondContact O-N 3.49Å; E178-C180 VanDerWaalsContact C-N 3.33Å; E178-C180 PolarHBondContact O-N 3.25Å; E178-C181 WeakPolarHBondContact O-CB 3.2Å; E178-C181 PolarHBondContact O-N 3.13Å; E178-R182 WeakPolarHBondContact O-CG 3.16Å; E178-R182 PolarHBondContact O-N 3.1Å |
| 179 | G | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T176 Q177 C181 R182 F183 | T176-G179 WeakPolarHBondContact O-CA 3.31Å; T176-G179 PolarHBondContact O-N 3.48Å; T176-G179 VanDerWaalsContact O-N 3.1Å; T176-G179 PolarHBondContact OG1-N 2.99Å; Q177-G179 VanDerWaalsContact C-N 3.31Å; Q177-G179 PolarHBondContact O-N 3.05Å; G179-C181 VanDerWaalsContact C-N 3.34Å; G179-C181 PolarHBondContact O-N 3.31Å; G179-R182 WeakPolarHBondContact O-CB 3.39Å; G179-R182 PolarHBondContact O-N 3.28Å; G179-R182 VanDerWaalsContact O-N 3.11Å; G179-F183 WeakPolarHBondContact O-CD1 3.25Å; G179-F183 WeakPolarHBondContact O-CD2 3.28Å; G179-F183 WeakPolarHBondContact O-CE1 3.13Å; G179-F183 WeakPolarHBondContact O-CG 3.15Å; G179-F183 PolarHBondContact O-N 2.8Å |
| 180 | C | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 112 | T176 Q177 E178 R182 F183 V184 F257 M284 | T176-C180 PolarHBondContact O-N 3.04Å; T176-C180 PolarHBondContact O-SG 3.36Å; Q177-C180 WeakPolarHBondContact O-CB 3.31Å; Q177-C180 PolarHBondContact O-N 2.56Å; E178-C180 VanDerWaalsContact C-N 3.33Å; E178-C180 PolarHBondContact O-N 3.25Å; C180-R182 VanDerWaalsContact C-N 3.32Å; C180-R182 PolarHBondContact O-N 3.21Å; C180-F183 WeakPolarHBondContact O-CB 3.19Å; C180-F183 PolarHBondContact O-N 3.11Å; C180-V184 PolarHBondContact O-N 3.17Å; C180-V184 VanDerWaalsContact O-N 3.09Å; C180-F257 HydrophobicContact CB-CD1 4.32Å; C180-F257 HydrophobicContact CB-CE1 3.83Å; C180-M284 HydrophobicContact CB-SD 3.85Å |
| 181 | C | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 173.3 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | Q177 E178 G179 F183 V184 S185 E254 F257 | Q177-C181 PolarHBondContact O-N 2.98Å; Q177-C181 VanDerWaalsContact O-N 3.08Å; E178-C181 WeakPolarHBondContact O-CB 3.2Å; E178-C181 PolarHBondContact O-N 3.13Å; G179-C181 VanDerWaalsContact C-N 3.34Å; G179-C181 PolarHBondContact O-N 3.31Å; C181-F183 VanDerWaalsContact C-N 3.34Å; C181-F183 PolarHBondContact O-N 3.38Å; C181-V184 PolarHBondContact O-N 2.96Å; C181-S185 WeakPolarHBondContact O-CB 3.33Å; C181-S185 PolarHBondContact O-N 3.4Å; C181-S185 PolarHBondContact O-OG 2.85Å; C181-S185 VanDerWaalsContact O-OG 3.09Å; C181-E254 VanDerWaalsContact SG-CA 3.6Å; C181-F257 HydrophobicContact CB-CB 3.81Å; C181-F257 HydrophobicContact CB-CD1 3.75Å; C181-F257 HydrophobicContact CB-CD2 4Å; C181-F257 HydrophobicContact CB-CE1 4.28Å; C181-F257 HydrophobicContact CB-CE2 4.5Å; C181-F257 HydrophobicContact CB-CG 3.59Å |
| 182 | R | 98.3 | Very high | 96.5 | Very high | 97 Ų | 97 | 25.6 Ų | 25.6 | 37% | 0.366 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63 | -39 | 177.3 | -64.1 | -65.2 | -67.8 | -174.4 | -3.5 | 111.8 | E178 G179 C180 S185 E186 V298 | E178-R182 WeakPolarHBondContact O-CG 3.16Å; E178-R182 PolarHBondContact O-N 3.1Å; G179-R182 WeakPolarHBondContact O-CB 3.39Å; G179-R182 PolarHBondContact O-N 3.28Å; G179-R182 VanDerWaalsContact O-N 3.11Å; C180-R182 VanDerWaalsContact C-N 3.32Å; C180-R182 PolarHBondContact O-N 3.21Å; R182-S185 PolarHBondContact O-N 3.21Å; R182-E186 IonicContact NH2-OE1 3.54Å; R182-E186 WeakPolarHBondContact O-CB 3.39Å; R182-E186 WeakPolarHBondContact O-CG 3.44Å; R182-E186 PolarHBondContact O-N 3.41Å; R182-V298 HydrophobicContact CB-CG1 3.8Å; R182-V298 HydrophobicContact CG-CG1 4.24Å |
| 183 | F | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 175.7 | -54.7 | -23.3 | 0 | 0 | 0 | 111.1 | F171 V175 G179 C180 C181 S185 E186 I187 V298 C301 L302 L360 | F171-F183 HydrophobicContact CE2-CD2 4.36Å; F171-F183 AromaticContact CE2-CE2 3.86Å; F171-F183 HydrophobicContact CE2-CE2 3.86Å; F171-F183 HydrophobicContact CZ-CD2 4.25Å; F171-F183 AromaticContact CZ-CE2 3.87Å; F171-F183 HydrophobicContact CZ-CE2 3.87Å; F171-F183 HydrophobicContact CZ-CZ 4.26Å; V175-F183 HydrophobicContact CB-CE2 4.29Å; V175-F183 HydrophobicContact CB-CZ 4.47Å; V175-F183 HydrophobicContact CG1-CE2 4.18Å; V175-F183 HydrophobicContact CG1-CZ 4.21Å; V175-F183 HydrophobicContact CG2-CE2 4.39Å; G179-F183 WeakPolarHBondContact O-CD1 3.25Å; G179-F183 WeakPolarHBondContact O-CD2 3.28Å; G179-F183 WeakPolarHBondContact O-CE1 3.13Å; G179-F183 WeakPolarHBondContact O-CG 3.15Å; G179-F183 PolarHBondContact O-N 2.8Å; C180-F183 WeakPolarHBondContact O-CB 3.19Å; C180-F183 PolarHBondContact O-N 3.11Å; C181-F183 VanDerWaalsContact C-N 3.34Å; C181-F183 PolarHBondContact O-N 3.38Å; F183-S185 PolarHBondContact O-N 3.45Å; F183-E186 PolarHBondContact O-N 3.4Å; F183-I187 WeakPolarHBondContact O-CB 3.5Å; F183-I187 WeakPolarHBondContact O-CD1 3.47Å; F183-I187 WeakPolarHBondContact O-CG1 3.48Å; F183-I187 PolarHBondContact O-N 3.05Å; F183-V298 HydrophobicContact CD1-CG1 4.47Å; F183-V298 HydrophobicContact CE1-CG1 3.91Å; F183-C301 HydrophobicContact CE1-CB 3.49Å; F183-C301 VanDerWaalsContact CE1-CB 3.49Å; F183-C301 HydrophobicContact CE2-CB 4.35Å; F183-C301 HydrophobicContact CZ-CB 3.33Å; F183-L302 HydrophobicContact CD1-CD2 3.69Å; F183-L302 HydrophobicContact CD1-CG 3.84Å; F183-L302 HydrophobicContact CE1-CD2 4.45Å; F183-L302 HydrophobicContact CE1-CG 4.13Å; F183-L360 HydrophobicContact CB-CD1 4.2Å; F183-L360 HydrophobicContact CD2-CD1 3.95Å; F183-L360 HydrophobicContact CG-CD1 4.45Å |
| 184 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | C180 C181 E186 I187 L188 L253 F257 V265 V282 M284 | C180-V184 PolarHBondContact O-N 3.17Å; C180-V184 VanDerWaalsContact O-N 3.09Å; C181-V184 PolarHBondContact O-N 2.96Å; V184-E186 PolarHBondContact O-N 2.88Å; V184-I187 PolarHBondContact O-N 3.32Å; V184-L188 WeakPolarHBondContact O-CB 3.29Å; V184-L188 PolarHBondContact O-N 3.13Å; V184-L253 HydrophobicContact CG1-CD1 4.25Å; V184-F257 HydrophobicContact CB-CZ 4.4Å; V184-F257 HydrophobicContact CG2-CZ 3.93Å; V184-V265 HydrophobicContact CG1-CB 4.25Å; V184-V265 HydrophobicContact CG1-CG1 3.86Å; V184-V265 HydrophobicContact CG1-CG2 4.08Å; V184-V265 HydrophobicContact CG2-CB 4.42Å; V184-V265 HydrophobicContact CG2-CG2 3.91Å; V184-V282 HydrophobicContact CG2-CB 4.49Å; V184-V282 HydrophobicContact CG2-CG1 4.16Å; V184-M284 HydrophobicContact CG2-CE 3.64Å; V184-M284 HydrophobicContact CG2-SD 4.09Å |
| 185 | S | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 178.7 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | C181 R182 F183 K189 L250 | C181-S185 WeakPolarHBondContact O-CB 3.33Å; C181-S185 PolarHBondContact O-N 3.4Å; C181-S185 PolarHBondContact O-OG 2.85Å; C181-S185 VanDerWaalsContact O-OG 3.09Å; R182-S185 PolarHBondContact O-N 3.21Å; F183-S185 PolarHBondContact O-N 3.45Å; S185-K189 VanDerWaalsContact O-CG 3.3Å; S185-K189 WeakPolarHBondContact O-CG 3.37Å; S185-K189 PolarHBondContact O-N 3.12Å; S185-K189 VanDerWaalsContact O-N 3.11Å; S185-L250 WeakPolarHBondContact OG-CD2 3.32Å |
| 186 | E | 98.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 35 Ų | 35 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.4 | -38.1 | 179.2 | -63.8 | -50.5 | 131.3 | 0 | 0 | 112.1 | R182 F183 V184 L188 K189 C190 L302 F306 | R182-E186 IonicContact NH2-OE1 3.54Å; R182-E186 WeakPolarHBondContact O-CB 3.39Å; R182-E186 WeakPolarHBondContact O-CG 3.44Å; R182-E186 PolarHBondContact O-N 3.41Å; F183-E186 PolarHBondContact O-N 3.4Å; V184-E186 PolarHBondContact O-N 2.88Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.06Å; E186-K189 PolarHBondContact O-N 2.84Å; E186-K189 IonicContact OE1-NZ 2.74Å; E186-K189 PolarHBondContact OE1-NZ 2.83Å; E186-K189 IonicContact OE2-NZ 3.98Å; E186-C190 VanDerWaalsContact O-CB 3.31Å; E186-C190 WeakPolarHBondContact O-CB 3.34Å; E186-C190 PolarHBondContact O-N 2.84Å; E186-L302 HydrophobicContact CB-CD2 3.76Å; E186-L302 HydrophobicContact CG-CD1 3.99Å; E186-L302 HydrophobicContact CG-CD2 3.87Å; E186-F306 HydrophobicContact CB-CE2 3.82Å; E186-F306 HydrophobicContact CB-CZ 3.76Å |
| 187 | I | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 174 | -72.1 | 165.5 | 0 | 0 | 0 | 110.4 | F183 V184 C190 I191 L267 V282 V305 I358 | F183-I187 WeakPolarHBondContact O-CB 3.5Å; F183-I187 WeakPolarHBondContact O-CD1 3.47Å; F183-I187 WeakPolarHBondContact O-CG1 3.48Å; F183-I187 PolarHBondContact O-N 3.05Å; V184-I187 PolarHBondContact O-N 3.32Å; I187-C190 PolarHBondContact O-N 3Å; I187-I191 HydrophobicContact CG2-CD1 3.58Å; I187-I191 HydrophobicContact CG2-CG1 4.37Å; I187-I191 WeakPolarHBondContact O-CB 3.44Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 2.88Å; I187-L267 HydrophobicContact CG2-CD1 4.48Å; I187-V282 HydrophobicContact CD1-CG1 4.09Å; I187-V282 HydrophobicContact CD1-CG2 4.06Å; I187-V282 HydrophobicContact CG2-CG2 3.88Å; I187-V305 HydrophobicContact CD1-CG1 4.12Å; I187-V305 HydrophobicContact CG1-CG1 4.22Å; I187-I358 HydrophobicContact CD1-CD1 4.47Å; I187-I358 HydrophobicContact CD1-CG2 4.41Å; I187-I358 HydrophobicContact CG2-CD1 3.85Å |
| 188 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -50.7 | 175.6 | 171.2 | 59 | 0 | 0 | 0 | 111.4 | V184 E186 C190 I191 L192 L246 V249 L250 L267 T326 V328 I393 | V184-L188 WeakPolarHBondContact O-CB 3.29Å; V184-L188 PolarHBondContact O-N 3.13Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.06Å; L188-C190 VanDerWaalsContact C-N 3.28Å; L188-C190 PolarHBondContact O-N 3.48Å; L188-I191 PolarHBondContact O-N 2.84Å; L188-L192 HydrophobicContact CD1-CD1 3.85Å; L188-L192 HydrophobicContact CD1-CD2 4.49Å; L188-L192 HydrophobicContact CD1-CG 3.94Å; L188-L192 HydrophobicContact CG-CD1 4.1Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 2.84Å; L188-L246 HydrophobicContact CD2-CD1 3.92Å; L188-L246 HydrophobicContact CG-CD1 4.24Å; L188-V249 HydrophobicContact CD2-CG1 4.15Å; L188-L250 HydrophobicContact CD2-CD2 4.22Å; L188-L267 HydrophobicContact CB-CD1 4.23Å; L188-L267 HydrophobicContact CD1-CD1 4.14Å; L188-L267 HydrophobicContact CD1-CD2 4.06Å; L188-T326 HydrophobicContact CD1-CG2 4.42Å; L188-V328 HydrophobicContact CD2-CG2 4.23Å; L188-I393 HydrophobicContact CD2-CD1 4.3Å |
| 189 | K | 98 | Very high | 96.2 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 177.2 | -69.3 | 167.9 | -174.2 | 176.8 | 0 | 111.5 | S185 E186 L192 Y193 Y202 | S185-K189 VanDerWaalsContact O-CG 3.3Å; S185-K189 WeakPolarHBondContact O-CG 3.37Å; S185-K189 PolarHBondContact O-N 3.12Å; S185-K189 VanDerWaalsContact O-N 3.11Å; E186-K189 PolarHBondContact O-N 2.84Å; E186-K189 IonicContact OE1-NZ 2.74Å; E186-K189 PolarHBondContact OE1-NZ 2.83Å; E186-K189 IonicContact OE2-NZ 3.98Å; K189-L192 PolarHBondContact O-N 2.85Å; K189-Y193 PolarHBondContact O-N 2.87Å; K189-Y193 VanDerWaalsContact O-N 3.1Å; K189-Y202 HydrophobicContact CD-CD1 3.73Å; K189-Y202 HydrophobicContact CD-CE1 4.4Å; K189-Y202 HydrophobicContact CD-CG 3.92Å; K189-Y202 HydrophobicContact CG-CD1 4.36Å; K189-Y202 HydrophobicContact CG-CG 4.03Å |
| 190 | C | 96.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 27.1 Ų | 27.1 | 19% | 0.189 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -48.4 | 179.2 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | E186 I187 L188 L192 Y193 Q194 F306 | E186-C190 VanDerWaalsContact O-CB 3.31Å; E186-C190 WeakPolarHBondContact O-CB 3.34Å; E186-C190 PolarHBondContact O-N 2.84Å; I187-C190 PolarHBondContact O-N 3Å; L188-C190 VanDerWaalsContact C-N 3.28Å; L188-C190 PolarHBondContact O-N 3.48Å; C190-L192 PolarHBondContact O-N 2.9Å; C190-Y193 PolarHBondContact O-N 2.89Å; C190-Q194 WeakPolarHBondContact O-CB 3.41Å; C190-Q194 WeakPolarHBondContact O-CG 3.41Å; C190-Q194 PolarHBondContact O-N 3.33Å; C190-F306 HydrophobicContact CB-CE1 3.53Å; C190-F306 HydrophobicContact CB-CZ 4.03Å |
| 191 | I | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 177.8 | -73.2 | 164.8 | 0 | 0 | 0 | 110.6 | I187 L188 Y193 Q194 R195 L267 L269 Y280 L315 | I187-I191 HydrophobicContact CG2-CD1 3.58Å; I187-I191 HydrophobicContact CG2-CG1 4.37Å; I187-I191 WeakPolarHBondContact O-CB 3.44Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 2.88Å; L188-I191 PolarHBondContact O-N 2.84Å; I191-Y193 PolarHBondContact O-N 3.42Å; I191-Q194 PolarHBondContact O-N 2.83Å; I191-R195 HydrophobicContact CG2-CG 3.95Å; I191-R195 VanDerWaalsContact O-CB 3.28Å; I191-R195 WeakPolarHBondContact O-CB 3.35Å; I191-R195 VanDerWaalsContact O-CG 3.25Å; I191-R195 WeakPolarHBondContact O-CG 3.48Å; I191-R195 PolarHBondContact O-N 2.77Å; I191-L267 HydrophobicContact CD1-CD1 3.54Å; I191-L269 HydrophobicContact CG2-CD1 4.18Å; I191-L269 HydrophobicContact CG2-CD2 4.25Å; I191-Y280 HydrophobicContact CD1-CD1 3.85Å; I191-Y280 HydrophobicContact CD1-CD2 4.25Å; I191-Y280 HydrophobicContact CD1-CG 3.71Å; I191-Y280 HydrophobicContact CG1-CD1 4.34Å; I191-Y280 HydrophobicContact CG1-CG 4.45Å; I191-Y280 HydrophobicContact CG2-CD2 3.93Å; I191-Y280 HydrophobicContact CG2-CE2 3.84Å; I191-Y280 HydrophobicContact CG2-CG 4.44Å; I191-L315 HydrophobicContact CG1-CD1 4.03Å; I191-L315 HydrophobicContact CG1-CD2 3.92Å |
| 192 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -38.3 | 178.6 | -70.4 | 174.1 | 0 | 0 | 0 | 112.1 | L188 K189 C190 Q197 L198 L246 T326 I393 | L188-L192 HydrophobicContact CD1-CD1 3.85Å; L188-L192 HydrophobicContact CD1-CD2 4.49Å; L188-L192 HydrophobicContact CD1-CG 3.94Å; L188-L192 HydrophobicContact CG-CD1 4.1Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 2.84Å; K189-L192 PolarHBondContact O-N 2.85Å; C190-L192 PolarHBondContact O-N 2.9Å; L192-Q197 HydrophobicContact CB-CB 4.33Å; L192-Q197 HydrophobicContact CD2-CB 3.88Å; L192-Q197 HydrophobicContact CD2-CG 4.18Å; L192-Q197 CarbonylContact O-C 3.56Å; L192-Q197 WeakPolarHBondContact O-CA 3.42Å; L192-Q197 VanDerWaalsContact O-CB 3.29Å; L192-Q197 WeakPolarHBondContact O-CB 3.35Å; L192-Q197 PolarHBondContact O-N 2.96Å; L192-L198 HydrophobicContact CB-CD1 3.74Å; L192-L198 HydrophobicContact CB-CG 3.95Å; L192-L198 HydrophobicContact CD1-CD1 4.35Å; L192-L198 PolarHBondContact O-N 3.39Å; L192-L198 VanDerWaalsContact O-N 3.1Å; L192-L246 HydrophobicContact CD1-CD1 3.82Å; L192-L246 HydrophobicContact CD1-CD2 3.94Å; L192-T326 HydrophobicContact CD2-CG2 4.17Å; L192-T326 WeakPolarHBondContact CD2-OG1 3.39Å; L192-I393 HydrophobicContact CD1-CD1 4.39Å; L192-I393 HydrophobicContact CD1-CG2 4.18Å; L192-I393 HydrophobicContact CD2-CG2 4.46Å |
| 193 | Y | 94.6 | Very high | 95.7 | Very high | 92 Ų | 92 | 30.1 Ų | 30.1 | 36% | 0.361 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -71.2 | -52.3 | 175.5 | 177.7 | -117.8 | 0 | 0 | 0 | 112.5 | K189 C190 I191 R195 Q196 M200 T201 | K189-Y193 PolarHBondContact O-N 2.87Å; K189-Y193 VanDerWaalsContact O-N 3.1Å; C190-Y193 PolarHBondContact O-N 2.89Å; I191-Y193 PolarHBondContact O-N 3.42Å; Y193-R195 VanDerWaalsContact C-N 3.28Å; Y193-R195 PolarHBondContact O-N 3.49Å; Y193-Q196 PolarHBondContact O-N 3.11Å; Y193-M200 VanDerWaalsContact CD2-C 3.42Å; Y193-T201 HydrophobicContact CD1-CG2 4.13Å; Y193-T201 HydrophobicContact CE1-CG2 4.07Å; Y193-T201 HydrophobicContact CG-CG2 4.35Å |
| 194 | Q | 92.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 34.9 Ų | 34.9 | 40% | 0.397 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.9 | -32.8 | -177.2 | -67.8 | -63.9 | -9.8 | 0 | 0 | 112.8 | C190 I191 Q196 L315 | C190-Q194 WeakPolarHBondContact O-CB 3.41Å; C190-Q194 WeakPolarHBondContact O-CG 3.41Å; C190-Q194 PolarHBondContact O-N 3.33Å; I191-Q194 PolarHBondContact O-N 2.83Å; Q194-Q196 PolarHBondContact O-N 2.96Å; Q194-L315 HydrophobicContact CB-CB 4.16Å; Q194-L315 HydrophobicContact CG-CB 4.32Å; Q194-L315 HydrophobicContact CG-CD1 4.33Å |
| 195 | R | 92.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 15.5 | 175.4 | -53 | -47.9 | -70.1 | 155.1 | -4.3 | 113.1 | I191 Y193 Q197 L269 E278 Y280 L315 D317 V321 | I191-R195 HydrophobicContact CG2-CG 3.95Å; I191-R195 VanDerWaalsContact O-CB 3.28Å; I191-R195 WeakPolarHBondContact O-CB 3.35Å; I191-R195 VanDerWaalsContact O-CG 3.25Å; I191-R195 WeakPolarHBondContact O-CG 3.48Å; I191-R195 PolarHBondContact O-N 2.77Å; Y193-R195 VanDerWaalsContact C-N 3.28Å; Y193-R195 PolarHBondContact O-N 3.49Å; R195-Q197 HydrophobicContact CB-CG 4.28Å; R195-Q197 PolarHBondContact O-N 3.47Å; R195-Q197 VanDerWaalsContact O-N 3.13Å; R195-Q197 PolarHBondContact O-NE2 3.24Å; R195-L269 HydrophobicContact CB-CD2 3.78Å; R195-L269 HydrophobicContact CG-CD2 3.84Å; R195-E278 IonicContact CZ-OE1 3.92Å; R195-E278 IonicContact CZ-OE2 2.83Å; R195-E278 IonicContact NE-OE1 3.81Å; R195-E278 IonicContact NE-OE2 3.1Å; R195-E278 PolarHBondContact NE-OE2 2.92Å; R195-E278 VanDerWaalsContact NH2-CD 3.33Å; R195-E278 IonicContact NH2-OE1 2.72Å; R195-E278 PolarHBondContact NH2-OE1 3.4Å; R195-E278 IonicContact NH2-OE2 3.8Å; R195-E278 PolarHBondContact NH2-OE2 3.34Å; R195-Y280 WeakPolarHBondContact CD-OH 3.39Å; R195-Y280 HydrophobicContact CG-CE2 4.4Å; R195-Y280 PolarHBondContact NE-OH 3.38Å; R195-L315 PolarHBondContact NH1-O 3.37Å; R195-D317 VanDerWaalsContact NH2-CB 3.33Å; R195-D317 IonicContact NH2-OD2 3.42Å; R195-V321 HydrophobicContact CB-CG2 4.14Å |
| 196 | Q | 92.4 | Very high | 95.1 | Very high | 110 Ų | 110 | 36.4 Ų | 36.4 | 51% | 0.514 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 28.2 | 175.8 | -54.2 | 174.6 | 19.3 | 0 | 0 | 113.6 | Y193 Q194 L198 L323 | Y193-Q196 PolarHBondContact O-N 3.11Å; Q194-Q196 PolarHBondContact O-N 2.96Å; Q196-L198 VanDerWaalsContact C-N 3.35Å; Q196-L323 VanDerWaalsContact O-CD2 3.28Å; Q196-L323 WeakPolarHBondContact O-CD2 3.29Å |
| 197 | Q | 93.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -82.6 | -19.9 | 172.1 | -51.7 | -55.3 | -55.7 | 0 | 0 | 111.2 | L192 R195 L269 R322 T324 G395 F396 | L192-Q197 HydrophobicContact CB-CB 4.33Å; L192-Q197 HydrophobicContact CD2-CB 3.88Å; L192-Q197 HydrophobicContact CD2-CG 4.18Å; L192-Q197 CarbonylContact O-C 3.56Å; L192-Q197 WeakPolarHBondContact O-CA 3.42Å; L192-Q197 VanDerWaalsContact O-CB 3.29Å; L192-Q197 WeakPolarHBondContact O-CB 3.35Å; L192-Q197 PolarHBondContact O-N 2.96Å; R195-Q197 HydrophobicContact CB-CG 4.28Å; R195-Q197 PolarHBondContact O-N 3.47Å; R195-Q197 VanDerWaalsContact O-N 3.13Å; R195-Q197 PolarHBondContact O-NE2 3.24Å; Q197-L269 HydrophobicContact CG-CD2 4.29Å; Q197-R322 PolarHBondContact NE2-O 2.96Å; Q197-T324 PolarHBondContact OE1-O 3.37Å; Q197-T324 PolarHBondContact OE1-OG1 3.25Å; Q197-G395 CarbonylContact O-C 3.57Å; Q197-G395 WeakPolarHBondContact O-CA 3.43Å; Q197-F396 PolarHBondContact O-N 2.75Å |
| 198 | L | 93.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -122.9 | 138.5 | 171.7 | -60.5 | 174.4 | 0 | 0 | 0 | 109.8 | L192 Q196 M200 L205 T242 L246 F396 | L192-L198 HydrophobicContact CB-CD1 3.74Å; L192-L198 HydrophobicContact CB-CG 3.95Å; L192-L198 HydrophobicContact CD1-CD1 4.35Å; L192-L198 PolarHBondContact O-N 3.39Å; L192-L198 VanDerWaalsContact O-N 3.1Å; Q196-L198 VanDerWaalsContact C-N 3.35Å; L198-M200 VanDerWaalsContact C-N 3.27Å; L198-M200 WeakPolarHBondContact CB-O 3.34Å; L198-M200 PolarHBondContact O-N 2.88Å; L198-L205 HydrophobicContact CB-CD1 4.11Å; L198-L205 HydrophobicContact CD1-CD1 4.32Å; L198-L205 HydrophobicContact CD2-CD1 3.84Å; L198-L205 HydrophobicContact CG-CD1 4.3Å; L198-T242 HydrophobicContact CD2-CG2 3.97Å; L198-L246 HydrophobicContact CD1-CD2 4.24Å; L198-F396 HydrophobicContact CD2-CD1 4.27Å; L198-F396 HydrophobicContact CD2-CE1 3.75Å |
| 199 | P | 91.9 | Very high | 93.8 | Very high | 43 Ų | 43 | 45.3 Ų | 45.3 | 28% | 0.279 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -76.6 | -13.1 | -177.7 | 31.4 | -37 | 0 | 0 | 0 | 114 | L205 F396 K398 | P199-L205 HydrophobicContact CG-CD2 4.16Å; P199-F396 HydrophobicContact CG-CD2 4.18Å; P199-F396 HydrophobicContact CG-CE1 4.41Å; P199-F396 HydrophobicContact CG-CE2 3.47Å; P199-F396 VanDerWaalsContact CG-CE2 3.47Å; P199-F396 HydrophobicContact CG-CZ 3.61Å; P199-K398 HydrophobicContact CB-CD 4.41Å; P199-K398 HydrophobicContact CB-CG 3.93Å; P199-K398 HydrophobicContact CG-CG 4.33Å |
| 200 | M | 93.5 | Very high | 93.4 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 18% | 0.177 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -154.5 | 175.3 | 174.6 | 66.9 | -174.4 | 57.7 | 0 | 0 | 108.7 | Y193 L198 Q204 L205 | Y193-M200 VanDerWaalsContact CD2-C 3.42Å; L198-M200 VanDerWaalsContact C-N 3.27Å; L198-M200 WeakPolarHBondContact CB-O 3.34Å; L198-M200 PolarHBondContact O-N 2.88Å; M200-Q204 HydrophobicContact CB-CB 4.28Å; M200-Q204 HydrophobicContact CG-CB 3.85Å; M200-Q204 HydrophobicContact SD-CB 3.69Å; M200-L205 HydrophobicContact CG-CB 4.44Å; M200-L205 HydrophobicContact CG-CD2 3.46Å; M200-L205 VanDerWaalsContact CG-CD2 3.46Å; M200-L205 HydrophobicContact CG-CG 3.49Å; M200-L205 VanDerWaalsContact CG-CG 3.49Å; M200-L205 HydrophobicContact SD-CD2 3.89Å; M200-L205 HydrophobicContact SD-CG 4.29Å |
| 201 | T | 95.4 | Very high | 92.9 | Very high | 45 Ų | 45 | 57.8 Ų | 57.8 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | trans | -62.8 | 153.5 | -179.8 | 70 | 0 | 0 | 0 | 0 | 110.9 | Y193 D203 Q204 L205 | Y193-T201 HydrophobicContact CD1-CG2 4.13Å; Y193-T201 HydrophobicContact CE1-CG2 4.07Å; Y193-T201 HydrophobicContact CG-CG2 4.35Å; T201-D203 VanDerWaalsContact C-N 3.28Å; T201-D203 PolarHBondContact O-N 2.96Å; T201-Q204 PolarHBondContact O-N 2.85Å; T201-Q204 VanDerWaalsContact O-N 3.16Å; T201-Q204 VanDerWaalsContact OG1-CG 3.25Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.37Å; T201-Q204 PolarHBondContact OG1-N 3.15Å; T201-Q204 PolarHBondContact OG1-OE1 3.3Å; T201-L205 PolarHBondContact O-N 3.38Å | ||
| 202 | Y | 96.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.3 | -44.6 | 179.1 | 165.2 | -90.4 | 0 | 0 | 0 | 112.1 | K189 Q204 L205 V206 L243 L246 E247 L250 | K189-Y202 HydrophobicContact CD-CD1 3.73Å; K189-Y202 HydrophobicContact CD-CE1 4.4Å; K189-Y202 HydrophobicContact CD-CG 3.92Å; K189-Y202 HydrophobicContact CG-CD1 4.36Å; K189-Y202 HydrophobicContact CG-CG 4.03Å; Y202-Q204 VanDerWaalsContact C-N 3.35Å; Y202-Q204 PolarHBondContact O-N 3.47Å; Y202-L205 WeakPolarHBondContact O-CB 3.29Å; Y202-L205 PolarHBondContact O-N 2.93Å; Y202-L205 VanDerWaalsContact O-N 3.17Å; Y202-V206 HydrophobicContact CD1-CG2 4.36Å; Y202-V206 HydrophobicContact CD2-CG2 4.3Å; Y202-V206 HydrophobicContact CE1-CG2 3.84Å; Y202-V206 HydrophobicContact CE2-CG2 3.82Å; Y202-V206 WeakPolarHBondContact O-CG2 3.31Å; Y202-V206 PolarHBondContact O-N 3.5Å; Y202-L243 HydrophobicContact CD2-CD2 4.04Å; Y202-L243 HydrophobicContact CE2-CD2 4.25Å; Y202-L246 HydrophobicContact CD2-CD2 3.53Å; Y202-L246 HydrophobicContact CD2-CG 4.24Å; Y202-L246 HydrophobicContact CE2-CD2 4.1Å; Y202-L246 HydrophobicContact CE2-CG 4.33Å; Y202-L246 HydrophobicContact CG-CD2 4.46Å; Y202-E247 PolarHBondContact OH-OE2 3.33Å; Y202-L250 HydrophobicContact CE2-CD1 4.23Å |
| 203 | D | 95.4 | Very high | 91.8 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 54% | 0.54 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | -179.1 | -57.7 | -52 | 0 | 0 | 0 | 112.5 | T201 L205 V206 Y207 | T201-D203 VanDerWaalsContact C-N 3.28Å; T201-D203 PolarHBondContact O-N 2.96Å; D203-L205 VanDerWaalsContact C-N 3.34Å; D203-V206 PolarHBondContact O-N 3.1Å; D203-Y207 WeakPolarHBondContact O-CB 3.36Å; D203-Y207 PolarHBondContact O-N 2.89Å |
| 204 | Q | 94.9 | Very high | 91.4 | Very high | 102 Ų | 102 | 64.3 Ų | 64.3 | 48% | 0.477 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 174.5 | -72.2 | 174 | -25.5 | 0 | 0 | 111.4 | M200 T201 Y202 Y207 S208 | M200-Q204 HydrophobicContact CB-CB 4.28Å; M200-Q204 HydrophobicContact CG-CB 3.85Å; M200-Q204 HydrophobicContact SD-CB 3.69Å; T201-Q204 PolarHBondContact O-N 2.85Å; T201-Q204 VanDerWaalsContact O-N 3.16Å; T201-Q204 VanDerWaalsContact OG1-CG 3.25Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.37Å; T201-Q204 PolarHBondContact OG1-N 3.15Å; T201-Q204 PolarHBondContact OG1-OE1 3.3Å; Y202-Q204 VanDerWaalsContact C-N 3.35Å; Y202-Q204 PolarHBondContact O-N 3.47Å; Q204-Y207 PolarHBondContact O-N 3.34Å; Q204-S208 WeakPolarHBondContact O-CB 3.49Å; Q204-S208 PolarHBondContact O-N 3.34Å; Q204-S208 PolarHBondContact O-OG 2.99Å |
| 205 | L | 93.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 174.5 | -75.4 | 177.3 | 0 | 0 | 0 | 111.5 | L198 P199 M200 T201 Y202 D203 Y207 S208 Q209 L243 F396 | L198-L205 HydrophobicContact CB-CD1 4.11Å; L198-L205 HydrophobicContact CD1-CD1 4.32Å; L198-L205 HydrophobicContact CD2-CD1 3.84Å; L198-L205 HydrophobicContact CG-CD1 4.3Å; P199-L205 HydrophobicContact CG-CD2 4.16Å; M200-L205 HydrophobicContact CG-CB 4.44Å; M200-L205 HydrophobicContact CG-CD2 3.46Å; M200-L205 VanDerWaalsContact CG-CD2 3.46Å; M200-L205 HydrophobicContact CG-CG 3.49Å; M200-L205 VanDerWaalsContact CG-CG 3.49Å; M200-L205 HydrophobicContact SD-CD2 3.89Å; M200-L205 HydrophobicContact SD-CG 4.29Å; T201-L205 PolarHBondContact O-N 3.38Å; Y202-L205 WeakPolarHBondContact O-CB 3.29Å; Y202-L205 PolarHBondContact O-N 2.93Å; Y202-L205 VanDerWaalsContact O-N 3.17Å; D203-L205 VanDerWaalsContact C-N 3.34Å; L205-Y207 VanDerWaalsContact C-N 3.3Å; L205-Y207 PolarHBondContact O-N 3.29Å; L205-S208 PolarHBondContact O-N 2.89Å; L205-S208 PolarHBondContact O-OG 3.2Å; L205-Q209 WeakPolarHBondContact O-CB 3.36Å; L205-Q209 PolarHBondContact O-N 3.36Å; L205-L243 HydrophobicContact CB-CD1 3.95Å; L205-L243 HydrophobicContact CB-CD2 3.79Å; L205-L243 HydrophobicContact CB-CG 4.37Å; L205-L243 HydrophobicContact CD1-CD2 3.97Å; L205-F396 HydrophobicContact CD1-CE1 4.22Å; L205-F396 HydrophobicContact CD1-CZ 4.08Å; L205-F396 HydrophobicContact CD2-CZ 3.94Å |
| 206 | V | 93.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 68.4 Ų | 68.4 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Y202 D203 Q209 K210 | Y202-V206 HydrophobicContact CD1-CG2 4.36Å; Y202-V206 HydrophobicContact CD2-CG2 4.3Å; Y202-V206 HydrophobicContact CE1-CG2 3.84Å; Y202-V206 HydrophobicContact CE2-CG2 3.82Å; Y202-V206 WeakPolarHBondContact O-CG2 3.31Å; Y202-V206 PolarHBondContact O-N 3.5Å; D203-V206 PolarHBondContact O-N 3.1Å; V206-Q209 PolarHBondContact O-N 3.08Å; V206-K210 HydrophobicContact CG1-CD 4.23Å; V206-K210 WeakPolarHBondContact O-CG 3.47Å; V206-K210 PolarHBondContact O-N 2.9Å |
| 207 | Y | 92.8 | Very high | 89.1 | Confident | 152 Ų | 152 | 70.5 Ų | 70.5 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.4 | -48.1 | 175.6 | 175.5 | -97.1 | 0 | 0 | 0 | 111.9 | D203 Q204 L205 Q209 K210 R211 | D203-Y207 WeakPolarHBondContact O-CB 3.36Å; D203-Y207 PolarHBondContact O-N 2.89Å; Q204-Y207 PolarHBondContact O-N 3.34Å; L205-Y207 VanDerWaalsContact C-N 3.3Å; L205-Y207 PolarHBondContact O-N 3.29Å; Y207-Q209 PolarHBondContact O-N 3.35Å; Y207-K210 PolarHBondContact O-N 2.91Å; Y207-R211 WeakPolarHBondContact O-CB 3.12Å; Y207-R211 PolarHBondContact O-N 3.2Å |
| 208 | S | 88.8 | Confident | 87.8 | Confident | 34 Ų | 34 | 76.6 Ų | 76.6 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 111.8 | Q204 L205 R211 Q212 | Q204-S208 WeakPolarHBondContact O-CB 3.49Å; Q204-S208 PolarHBondContact O-N 3.34Å; Q204-S208 PolarHBondContact O-OG 2.99Å; L205-S208 PolarHBondContact O-N 2.89Å; L205-S208 PolarHBondContact O-OG 3.2Å; S208-R211 PolarHBondContact O-N 3.37Å; S208-Q212 WeakPolarHBondContact O-CG 3.42Å; S208-Q212 PolarHBondContact O-N 2.72Å |
| 209 | Q | 87.7 | Confident | 86.1 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 16% | 0.159 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.6 | -48.4 | 177.1 | 169.7 | 168.1 | 15.3 | 0 | 0 | 112.6 | L205 V206 Y207 R211 Q212 Q213 W236 L243 | L205-Q209 WeakPolarHBondContact O-CB 3.36Å; L205-Q209 PolarHBondContact O-N 3.36Å; V206-Q209 PolarHBondContact O-N 3.08Å; Y207-Q209 PolarHBondContact O-N 3.35Å; Q209-R211 VanDerWaalsContact C-N 3.28Å; Q209-R211 PolarHBondContact O-N 3.41Å; Q209-Q212 PolarHBondContact O-N 3.46Å; Q209-Q213 HydrophobicContact CG-CG 4.49Å; Q209-Q213 WeakPolarHBondContact O-CB 3.14Å; Q209-Q213 VanDerWaalsContact O-CG 3.31Å; Q209-Q213 WeakPolarHBondContact O-CG 3.49Å; Q209-Q213 PolarHBondContact O-N 2.86Å; Q209-W236 VanDerWaalsContact CA-CH2 3.49Å; Q209-W236 HydrophobicContact CB-CH2 3.6Å; Q209-W236 HydrophobicContact CB-CZ3 4.29Å; Q209-W236 HydrophobicContact CG-CH2 3.71Å; Q209-W236 HydrophobicContact CG-CZ2 4.29Å; Q209-L243 HydrophobicContact CB-CD1 4.45Å |
| 210 | K | 88.8 | Confident | 84.2 | Confident | 137 Ų | 137 | 86.8 Ų | 86.8 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 176.8 | -72.4 | 175.8 | 179.8 | 178.3 | 0 | 111.1 | V206 Y207 Q213 A214 | V206-K210 HydrophobicContact CG1-CD 4.23Å; V206-K210 WeakPolarHBondContact O-CG 3.47Å; V206-K210 PolarHBondContact O-N 2.9Å; Y207-K210 PolarHBondContact O-N 2.91Å; K210-Q213 PolarHBondContact O-N 2.78Å; K210-A214 WeakPolarHBondContact O-CB 3.34Å; K210-A214 PolarHBondContact O-N 2.85Å |
| 211 | R | 87.4 | Confident | 82.2 | Confident | 175 Ų | 175 | 89.2 Ų | 89.2 | 66% | 0.66 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63 | -44 | 177.6 | -175.7 | 179.1 | 170.9 | -170.9 | -2.9 | 112.2 | Y207 S208 Q209 A214 A215 | Y207-R211 WeakPolarHBondContact O-CB 3.12Å; Y207-R211 PolarHBondContact O-N 3.2Å; S208-R211 PolarHBondContact O-N 3.37Å; Q209-R211 VanDerWaalsContact C-N 3.28Å; Q209-R211 PolarHBondContact O-N 3.41Å; R211-A214 PolarHBondContact O-N 3.35Å; R211-A215 PolarHBondContact O-N 3.26Å |
| 212 | Q | 83.6 | Confident | 80.1 | Confident | 84 Ų | 84 | 92.2 Ų | 92.2 | 39% | 0.393 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 178.5 | -74.9 | -175.5 | -7.6 | 0 | 0 | 112.5 | S208 Q209 A214 A215 M216 W236 | S208-Q212 WeakPolarHBondContact O-CG 3.42Å; S208-Q212 PolarHBondContact O-N 2.72Å; Q209-Q212 PolarHBondContact O-N 3.46Å; Q212-A214 VanDerWaalsContact C-N 3.33Å; Q212-A214 PolarHBondContact O-N 2.82Å; Q212-A215 PolarHBondContact O-N 2.72Å; Q212-M216 WeakPolarHBondContact O-CG 3.31Å; Q212-M216 PolarHBondContact O-N 2.83Å; Q212-W236 HydrophobicContact CB-CH2 4.44Å; Q212-W236 HydrophobicContact CB-CZ2 4.36Å; Q212-W236 VanDerWaalsContact OE1-CH2 3.25Å |
| 213 | Q | 83.9 | Confident | 77.8 | Confident | 83 Ų | 83 | 95 Ų | 95 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 174 | -72.7 | 173.6 | -8 | 0 | 0 | 111.8 | Q209 K210 M216 Q217 | Q209-Q213 HydrophobicContact CG-CG 4.49Å; Q209-Q213 WeakPolarHBondContact O-CB 3.14Å; Q209-Q213 VanDerWaalsContact O-CG 3.31Å; Q209-Q213 WeakPolarHBondContact O-CG 3.49Å; Q209-Q213 PolarHBondContact O-N 2.86Å; K210-Q213 PolarHBondContact O-N 2.78Å; Q213-M216 PolarHBondContact O-N 2.79Å; Q213-Q217 PolarHBondContact O-N 2.85Å |
| 214 | A | 85.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 99.1 Ų | 99.1 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K210 R211 Q212 Q217 N218 | K210-A214 WeakPolarHBondContact O-CB 3.34Å; K210-A214 PolarHBondContact O-N 2.85Å; R211-A214 PolarHBondContact O-N 3.35Å; Q212-A214 VanDerWaalsContact C-N 3.33Å; Q212-A214 PolarHBondContact O-N 2.82Å; A214-Q217 PolarHBondContact O-N 2.97Å; A214-N218 PolarHBondContact O-N 2.99Å |
| 215 | A | 82.6 | Confident | 73.1 | Confident | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R211 Q212 Q217 N218 E219 | R211-A215 PolarHBondContact O-N 3.26Å; Q212-A215 PolarHBondContact O-N 2.72Å; A215-Q217 VanDerWaalsContact C-N 3.31Å; A215-Q217 PolarHBondContact O-N 3.29Å; A215-N218 PolarHBondContact O-N 2.88Å; A215-N218 VanDerWaalsContact O-N 3.13Å; A215-E219 PolarHBondContact O-N 2.98Å |
| 216 | M | 75.4 | Confident | 70.8 | Confident | 123 Ų | 123 | 111.4 Ų | 111.4 | 61% | 0.606 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.9 | -36.6 | 176.7 | -72.3 | -177.6 | 171.4 | 0 | 0 | 112.8 | Q212 Q213 N218 E220 | Q212-M216 WeakPolarHBondContact O-CG 3.31Å; Q212-M216 PolarHBondContact O-N 2.83Å; Q213-M216 PolarHBondContact O-N 2.79Å; M216-N218 VanDerWaalsContact C-N 3.33Å; M216-E220 PolarHBondContact O-N 2.86Å |
| 217 | Q | 72.5 | Confident | 68.5 | Low | 153 Ų | 153 | 113.2 Ų | 113.2 | 72% | 0.715 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.2 | -25.8 | 175.8 | -69.9 | -168.7 | 21.3 | 0 | 0 | 113.3 | Q213 A214 A215 | Q213-Q217 PolarHBondContact O-N 2.85Å; A214-Q217 PolarHBondContact O-N 2.97Å; A215-Q217 VanDerWaalsContact C-N 3.31Å; A215-Q217 PolarHBondContact O-N 3.29Å |
| 218 | N | 65.3 | Low | 66.2 | Low | 129 Ų | 129 | 115 Ų | 115 | 69% | 0.69 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -84.6 | -30.3 | -179.4 | -152.4 | 19.1 | 0 | 0 | 0 | 112.1 | A214 A215 M216 | A214-N218 PolarHBondContact O-N 2.99Å; A215-N218 PolarHBondContact O-N 2.88Å; A215-N218 VanDerWaalsContact O-N 3.13Å; M216-N218 VanDerWaalsContact C-N 3.33Å |
| 219 | E | 59.1 | Low | 64.2 | Low | 86 Ų | 86 | 116.2 Ų | 116.2 | 40% | 0.402 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -80.3 | -13.3 | 176 | -70.1 | -158.2 | 163.8 | 0 | 0 | 114.3 | A215 A221 V222 W224 | A215-E219 PolarHBondContact O-N 2.98Å; E219-A221 PolarHBondContact O-N 2.78Å; E219-A221 VanDerWaalsContact O-N 3.14Å; E219-V222 CarbonylContact O-C 3.59Å; E219-V222 VanDerWaalsContact O-C 3.31Å; E219-V222 PolarHBondContact O-N 2.79Å; E219-V222 VanDerWaalsContact O-O 3.06Å; E219-W224 WeakPolarHBondContact OE1-CZ3 3.43Å |
| 220 | E | 52.2 | Low | 62.3 | Low | 175 Ų | 175 | 120.7 Ų | 120.7 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -12.4 | 170.5 | -151.6 | 166.4 | -167.1 | 0 | 0 | 112.1 | M216 | M216-E220 PolarHBondContact O-N 2.86Š|
| 221 | A | 51 | Low | 60.4 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -14.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E219 | E219-A221 PolarHBondContact O-N 2.78Å; E219-A221 VanDerWaalsContact O-N 3.14Å |
| 222 | V | 50.9 | Low | 58.8 | Low | 109 Ų | 109 | 117.9 Ų | 117.9 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -139.2 | 92.2 | -179.3 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | E219 W224 | E219-V222 CarbonylContact O-C 3.59Å; E219-V222 VanDerWaalsContact O-C 3.31Å; E219-V222 PolarHBondContact O-N 2.79Å; E219-V222 VanDerWaalsContact O-O 3.06Å; V222-W224 PolarHBondContact O-N 3.48Å |
| 223 | G | 48 | Very low | 57.7 | Low | 83 Ų | 83 | 115.1 Ų | 115.1 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | trans | -45.6 | 101.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 224 | W | 47.6 | Very low | 56.6 | Low | 188 Ų | 188 | 115.6 Ų | 115.6 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | trans | -91.7 | 139.9 | 168.2 | -143.9 | -74.4 | 0 | 0 | 0 | 110.6 | E219 V222 | E219-W224 WeakPolarHBondContact OE1-CZ3 3.43Å; V222-W224 PolarHBondContact O-N 3.48Å | ||
| 225 | R | 45.8 | Very low | 56.1 | Low | 225 Ų | 225 | 114.2 Ų | 114.2 | 85% | 0.849 | 64% | 0.638 | S | S | * | * | trans | -82.2 | 130.2 | 178.8 | -72.8 | -170.5 | -133 | -113.1 | 0.7 | 111.3 | G227 | R225-G227 PolarHBondContact O-N 3.05Š| ||
| 226 | P | 45.4 | Very low | 56 | Low | 138 Ų | 138 | 113.8 Ų | 113.8 | 90% | 0.896 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -77.2 | 91.8 | 173.2 | 29.7 | -30.4 | 0 | 0 | 0 | 109.8 | ||
| 227 | G | 45.3 | Very low | 56.6 | Low | 68 Ų | 68 | 116.5 Ų | 116.5 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | trans | -144.5 | -8.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | R225 | R225-G227 PolarHBondContact O-N 3.05Š| ||
| 228 | Q | 44.4 | Very low | 57.3 | Low | 190 Ų | 190 | 115.3 Ų | 115.3 | 89% | 0.888 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -139.1 | 79.3 | -175.3 | -75.4 | 176.1 | -33 | 0 | 0 | 111 | ||
| 229 | S | 45.5 | Very low | 58.5 | Low | 59 Ų | 59 | 109.5 Ų | 109.5 | 41% | 0.413 | 59% | 0.587 | S | S | . | * | trans | 168.8 | 72.8 | 142.8 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | V231 E232 G233 | S229-V231 PolarHBondContact O-N 2.88Å; S229-E232 VanDerWaalsContact CB-CB 3.42Å; S229-G233 PolarHBondContact O-N 3.27Å | ||
| 230 | T | 47.5 | Very low | 60 | Low | 128 Ų | 128 | 109.3 Ų | 109.3 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -22.1 | 171.8 | 38.2 | 0 | 0 | 0 | 0 | 113.2 | L234 | T230-L234 WeakPolarHBondContact O-CD1 3.32Š|
| 231 | V | 49.5 | Very low | 62 | Low | 108 Ų | 108 | 108.4 Ų | 108.4 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -52.4 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | S229 G233 L234 D235 | S229-V231 PolarHBondContact O-N 2.88Å; V231-G233 VanDerWaalsContact C-N 3.3Å; V231-G233 PolarHBondContact O-N 3.37Å; V231-L234 WeakPolarHBondContact O-CB 3.45Å; V231-L234 PolarHBondContact O-N 2.9Å; V231-D235 PolarHBondContact O-N 3.44Å |
| 232 | E | 55.1 | Low | 64 | Low | 145 Ų | 145 | 104.6 Ų | 104.6 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.5 | -33.9 | 179.7 | -144.3 | 174.9 | -172.4 | 0 | 0 | 112.4 | S229 L234 W236 | S229-E232 VanDerWaalsContact CB-CB 3.42Å; E232-L234 VanDerWaalsContact C-N 3.29Å; E232-L234 PolarHBondContact O-N 3.47Å; E232-W236 WeakPolarHBondContact O-CB 3.41Å; E232-W236 PolarHBondContact O-N 3.48Å; E232-W236 VanDerWaalsContact O-N 3.13Å |
| 233 | G | 60.1 | Low | 66.1 | Low | 26 Ų | 26 | 99.7 Ų | 99.7 | 27% | 0.268 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -21.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S229 V231 R237 | S229-G233 PolarHBondContact O-N 3.27Å; V231-G233 VanDerWaalsContact C-N 3.3Å; V231-G233 PolarHBondContact O-N 3.37Å; G233-R237 WeakPolarHBondContact O-CG 3.39Å; G233-R237 PolarHBondContact O-N 2.89Å |
| 234 | L | 59.9 | Low | 68.4 | Low | 94 Ų | 94 | 101.4 Ų | 101.4 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -80.2 | -40.8 | 178.4 | -122.7 | 127.2 | 0 | 0 | 0 | 111.1 | T230 V231 E232 W236 R237 R238 | T230-L234 WeakPolarHBondContact O-CD1 3.32Å; V231-L234 WeakPolarHBondContact O-CB 3.45Å; V231-L234 PolarHBondContact O-N 2.9Å; E232-L234 VanDerWaalsContact C-N 3.29Å; E232-L234 PolarHBondContact O-N 3.47Å; L234-W236 VanDerWaalsContact C-N 3.31Å; L234-R237 PolarHBondContact O-N 3.11Å; L234-R238 WeakPolarHBondContact O-CG 3.49Å; L234-R238 PolarHBondContact O-N 3.35Å |
| 235 | D | 74.3 | Confident | 70.8 | Confident | 33 Ų | 33 | 94.1 Ų | 94.1 | 18% | 0.176 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.7 | -31.8 | 176.4 | -61.1 | -37.9 | 0 | 0 | 0 | 111.4 | V231 R238 C239 | V231-D235 PolarHBondContact O-N 3.44Å; D235-R238 PolarHBondContact O-N 2.91Å; D235-R238 IonicContact OD1-NH1 2.82Å; D235-R238 PolarHBondContact OD1-NH1 3.48Å; D235-C239 WeakPolarHBondContact O-CB 3.45Å; D235-C239 PolarHBondContact O-N 3.42Å |
| 236 | W | 81.7 | Confident | 73.3 | Confident | 44 Ų | 44 | 83.4 Ų | 83.4 | 17% | 0.167 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 171.7 | 177.7 | -119.9 | 0 | 0 | 0 | 113.7 | Q209 Q212 E232 L234 R238 C239 Q240 | Q209-W236 VanDerWaalsContact CA-CH2 3.49Å; Q209-W236 HydrophobicContact CB-CH2 3.6Å; Q209-W236 HydrophobicContact CB-CZ3 4.29Å; Q209-W236 HydrophobicContact CG-CH2 3.71Å; Q209-W236 HydrophobicContact CG-CZ2 4.29Å; Q212-W236 HydrophobicContact CB-CH2 4.44Å; Q212-W236 HydrophobicContact CB-CZ2 4.36Å; Q212-W236 VanDerWaalsContact OE1-CH2 3.25Å; E232-W236 WeakPolarHBondContact O-CB 3.41Å; E232-W236 PolarHBondContact O-N 3.48Å; E232-W236 VanDerWaalsContact O-N 3.13Å; L234-W236 VanDerWaalsContact C-N 3.31Å; W236-R238 VanDerWaalsContact C-N 3.28Å; W236-R238 PolarHBondContact O-N 3.26Å; W236-C239 HydrophobicContact CE3-CB 4.13Å; W236-C239 HydrophobicContact CZ3-CB 4.36Å; W236-C239 VanDerWaalsContact O-CB 3.32Å; W236-C239 WeakPolarHBondContact O-CB 3.5Å; W236-C239 PolarHBondContact O-N 3.05Å; W236-Q240 PolarHBondContact O-N 3.44Å |
| 237 | R | 86.9 | Confident | 75.8 | Confident | 179 Ų | 179 | 81 Ų | 81 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | 177.2 | -71.8 | 179.3 | -166.6 | -103.1 | 4.2 | 112.2 | G233 L234 R241 | G233-R237 WeakPolarHBondContact O-CG 3.39Å; G233-R237 PolarHBondContact O-N 2.89Å; L234-R237 PolarHBondContact O-N 3.11Å; R237-R241 WeakPolarHBondContact O-CB 3.21Å; R237-R241 PolarHBondContact O-N 2.97Å; R237-R241 VanDerWaalsContact O-N 3.08Å |
| 238 | R | 88.2 | Confident | 78.3 | Confident | 129 Ų | 129 | 81.4 Ų | 81.4 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 174.1 | -72.8 | 174.7 | -179.2 | 165 | -2.5 | 111.4 | L234 D235 W236 R241 T242 F396 | L234-R238 WeakPolarHBondContact O-CG 3.49Å; L234-R238 PolarHBondContact O-N 3.35Å; D235-R238 PolarHBondContact O-N 2.91Å; D235-R238 IonicContact OD1-NH1 2.82Å; D235-R238 PolarHBondContact OD1-NH1 3.48Å; W236-R238 VanDerWaalsContact C-N 3.28Å; W236-R238 PolarHBondContact O-N 3.26Å; R238-R241 PolarHBondContact O-N 2.82Å; R238-T242 WeakPolarHBondContact O-CB 3.39Å; R238-T242 PolarHBondContact O-N 3.48Å; R238-T242 PolarHBondContact O-OG1 2.89Å; R238-F396 HydrophobicContact CB-CB 4.36Å |
| 239 | C | 89.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55 | -54 | 173.1 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | D235 W236 R241 T242 L243 F396 | D235-C239 WeakPolarHBondContact O-CB 3.45Å; D235-C239 PolarHBondContact O-N 3.42Å; W236-C239 HydrophobicContact CE3-CB 4.13Å; W236-C239 HydrophobicContact CZ3-CB 4.36Å; W236-C239 VanDerWaalsContact O-CB 3.32Å; W236-C239 WeakPolarHBondContact O-CB 3.5Å; W236-C239 PolarHBondContact O-N 3.05Å; C239-R241 VanDerWaalsContact C-N 3.34Å; C239-R241 PolarHBondContact O-N 3.29Å; C239-T242 PolarHBondContact O-N 3.3Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 WeakPolarHBondContact O-CG 3.08Å; C239-L243 PolarHBondContact O-N 2.94Å; C239-F396 HydrophobicContact CB-CD2 4.39Å; C239-F396 HydrophobicContact CB-CE1 4.46Å; C239-F396 HydrophobicContact CB-CE2 3.61Å; C239-F396 HydrophobicContact CB-CZ 3.66Å |
| 240 | Q | 91.1 | Very high | 83.4 | Confident | 82 Ų | 82 | 70 Ų | 70 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 179.8 | -174.6 | -179.2 | -1.2 | 0 | 0 | 112.4 | W236 Q244 | W236-Q240 PolarHBondContact O-N 3.44Å; Q240-Q244 WeakPolarHBondContact O-CB 3.39Å; Q240-Q244 PolarHBondContact O-N 3.32Å |
| 241 | R | 93.7 | Very high | 85.8 | Confident | 155 Ų | 155 | 68 Ų | 68 | 59% | 0.585 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 179.2 | -173.4 | 170.9 | -68 | 127.2 | -1.1 | 112 | R237 R238 C239 L243 Q244 D245 | R237-R241 WeakPolarHBondContact O-CB 3.21Å; R237-R241 PolarHBondContact O-N 2.97Å; R237-R241 VanDerWaalsContact O-N 3.08Å; R238-R241 PolarHBondContact O-N 2.82Å; C239-R241 VanDerWaalsContact C-N 3.34Å; C239-R241 PolarHBondContact O-N 3.29Å; R241-L243 VanDerWaalsContact C-N 3.34Å; R241-L243 PolarHBondContact O-N 2.91Å; R241-Q244 PolarHBondContact O-N 3.46Å; R241-D245 WeakPolarHBondContact O-CB 3.47Å; R241-D245 VanDerWaalsContact O-CG 3.24Å; R241-D245 PolarHBondContact O-N 3.17Å |
| 242 | T | 94.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 179.2 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | L198 R238 C239 D245 L246 I393 K394 F396 | L198-T242 HydrophobicContact CD2-CG2 3.97Å; R238-T242 WeakPolarHBondContact O-CB 3.39Å; R238-T242 PolarHBondContact O-N 3.48Å; R238-T242 PolarHBondContact O-OG1 2.89Å; C239-T242 PolarHBondContact O-N 3.3Å; T242-D245 PolarHBondContact O-N 2.97Å; T242-L246 VanDerWaalsContact O-CB 3.31Å; T242-L246 WeakPolarHBondContact O-CB 3.39Å; T242-L246 PolarHBondContact O-N 3.29Å; T242-I393 HydrophobicContact CG2-CG2 3.94Å; T242-K394 WeakPolarHBondContact CG2-O 3.46Å; T242-K394 PolarHBondContact OG1-O 3.4Å; T242-K394 VanDerWaalsContact OG1-O 3.11Å; T242-F396 HydrophobicContact CG2-CD1 3.92Å; T242-F396 HydrophobicContact CG2-CE1 4.12Å |
| 243 | L | 94.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.6 | -73.9 | 171.8 | 0 | 0 | 0 | 111.9 | Y202 L205 Q209 C239 R241 L246 E247 | Y202-L243 HydrophobicContact CD2-CD2 4.04Å; Y202-L243 HydrophobicContact CE2-CD2 4.25Å; L205-L243 HydrophobicContact CB-CD1 3.95Å; L205-L243 HydrophobicContact CB-CD2 3.79Å; L205-L243 HydrophobicContact CB-CG 4.37Å; L205-L243 HydrophobicContact CD1-CD2 3.97Å; Q209-L243 HydrophobicContact CB-CD1 4.45Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 WeakPolarHBondContact O-CG 3.08Å; C239-L243 PolarHBondContact O-N 2.94Å; R241-L243 VanDerWaalsContact C-N 3.34Å; R241-L243 PolarHBondContact O-N 2.91Å; L243-L246 PolarHBondContact O-N 2.93Å; L243-E247 VanDerWaalsContact O-CB 3.26Å; L243-E247 WeakPolarHBondContact O-CB 3.43Å; L243-E247 PolarHBondContact O-N 2.9Å |
| 244 | Q | 96.5 | Very high | 92.1 | Very high | 119 Ų | 119 | 60.4 Ų | 60.4 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 175 | -177.7 | -179.3 | 1.4 | 0 | 0 | 111.8 | Q240 R241 E247 Q248 | Q240-Q244 WeakPolarHBondContact O-CB 3.39Å; Q240-Q244 PolarHBondContact O-N 3.32Å; R241-Q244 PolarHBondContact O-N 3.46Å; Q244-E247 PolarHBondContact O-N 3.37Å; Q244-Q248 WeakPolarHBondContact O-CB 3.48Å; Q244-Q248 PolarHBondContact O-N 3.44Å |
| 245 | D | 97.8 | Very high | 93.9 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 178.2 | -70 | -18.4 | 0 | 0 | 0 | 110.7 | R241 T242 Q248 V249 L391 | R241-D245 WeakPolarHBondContact O-CB 3.47Å; R241-D245 VanDerWaalsContact O-CG 3.24Å; R241-D245 PolarHBondContact O-N 3.17Å; T242-D245 PolarHBondContact O-N 2.97Å; D245-Q248 PolarHBondContact O-N 3.41Å; D245-V249 WeakPolarHBondContact O-CG2 3.41Å; D245-V249 PolarHBondContact O-N 3.16Å; D245-L391 HydrophobicContact CB-CD1 3.88Å |
| 246 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 176.8 | 176.6 | 55.7 | 0 | 0 | 0 | 111.7 | L188 L192 L198 Y202 T242 L243 Q248 V249 L250 I393 | L188-L246 HydrophobicContact CD2-CD1 3.92Å; L188-L246 HydrophobicContact CG-CD1 4.24Å; L192-L246 HydrophobicContact CD1-CD1 3.82Å; L192-L246 HydrophobicContact CD1-CD2 3.94Å; L198-L246 HydrophobicContact CD1-CD2 4.24Å; Y202-L246 HydrophobicContact CD2-CD2 3.53Å; Y202-L246 HydrophobicContact CD2-CG 4.24Å; Y202-L246 HydrophobicContact CE2-CD2 4.1Å; Y202-L246 HydrophobicContact CE2-CG 4.33Å; Y202-L246 HydrophobicContact CG-CD2 4.46Å; T242-L246 VanDerWaalsContact O-CB 3.31Å; T242-L246 WeakPolarHBondContact O-CB 3.39Å; T242-L246 PolarHBondContact O-N 3.29Å; L243-L246 PolarHBondContact O-N 2.93Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 2.9Å; L246-V249 PolarHBondContact O-N 2.73Å; L246-V249 VanDerWaalsContact O-N 3.15Å; L246-L250 HydrophobicContact CD1-CD1 4.17Å; L246-L250 HydrophobicContact CD1-CD2 4.41Å; L246-L250 HydrophobicContact CD1-CG 4.06Å; L246-L250 HydrophobicContact CG-CD1 4.11Å; L246-L250 HydrophobicContact CG-CG 4.44Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.16Å; L246-L250 PolarHBondContact O-N 2.88Å; L246-I393 HydrophobicContact CB-CG1 4.45Å; L246-I393 HydrophobicContact CB-CG2 4.37Å; L246-I393 HydrophobicContact CD1-CD1 3.8Å |
| 247 | E | 97.8 | Very high | 95.8 | Very high | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 177.1 | -169.7 | 62.2 | -154.5 | 0 | 0 | 111.5 | Y202 L243 Q244 V249 L250 Q251 | Y202-E247 PolarHBondContact OH-OE2 3.33Å; L243-E247 VanDerWaalsContact O-CB 3.26Å; L243-E247 WeakPolarHBondContact O-CB 3.43Å; L243-E247 PolarHBondContact O-N 2.9Å; Q244-E247 PolarHBondContact O-N 3.37Å; E247-V249 VanDerWaalsContact C-N 3.34Å; E247-V249 PolarHBondContact O-N 3.19Å; E247-L250 PolarHBondContact O-N 2.97Å; E247-Q251 WeakPolarHBondContact O-CB 3.37Å; E247-Q251 PolarHBondContact O-N 3.42Å |
| 248 | Q | 98.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.6 | -174.2 | 173.2 | 7 | 0 | 0 | 111.3 | Q244 D245 L246 Q252 W340 L391 | Q244-Q248 WeakPolarHBondContact O-CB 3.48Å; Q244-Q248 PolarHBondContact O-N 3.44Å; D245-Q248 PolarHBondContact O-N 3.41Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 2.9Å; Q248-Q252 HydrophobicContact CG-CG 4.43Å; Q248-Q252 WeakPolarHBondContact O-CB 3.31Å; Q248-Q252 WeakPolarHBondContact O-CG 3.26Å; Q248-Q252 PolarHBondContact O-N 3.38Å; Q248-W340 HydrophobicContact CG-CZ2 3.86Å; Q248-W340 VanDerWaalsContact NE2-NE1 3.2Å; Q248-L391 HydrophobicContact CB-CD2 4.14Å; Q248-L391 HydrophobicContact CG-CD2 4.02Å |
| 249 | V | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 174.9 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | L188 D245 L246 E247 Q251 Q252 L253 V328 W340 L391 I393 | L188-V249 HydrophobicContact CD2-CG1 4.15Å; D245-V249 WeakPolarHBondContact O-CG2 3.41Å; D245-V249 PolarHBondContact O-N 3.16Å; L246-V249 PolarHBondContact O-N 2.73Å; L246-V249 VanDerWaalsContact O-N 3.15Å; E247-V249 VanDerWaalsContact C-N 3.34Å; E247-V249 PolarHBondContact O-N 3.19Å; V249-Q251 PolarHBondContact O-N 3.36Å; V249-Q252 PolarHBondContact O-N 3.46Å; V249-L253 HydrophobicContact CG1-CD1 4.05Å; V249-L253 HydrophobicContact CG1-CG 4.4Å; V249-L253 WeakPolarHBondContact O-CG 3.2Å; V249-L253 PolarHBondContact O-N 2.78Å; V249-V328 HydrophobicContact CG1-CB 4.38Å; V249-V328 HydrophobicContact CG1-CG2 3.92Å; V249-W340 HydrophobicContact CG2-CH2 3.93Å; V249-L391 HydrophobicContact CG2-CD1 3.41Å; V249-L391 VanDerWaalsContact CG2-CD1 3.41Å; V249-L391 HydrophobicContact CG2-CD2 4.42Å; V249-L391 HydrophobicContact CG2-CG 3.98Å; V249-I393 HydrophobicContact CB-CD1 4.31Å; V249-I393 HydrophobicContact CG1-CD1 4.33Å; V249-I393 HydrophobicContact CG2-CD1 4.16Å; V249-I393 HydrophobicContact CG2-CG1 4.26Å |
| 250 | L | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 179 | -66.2 | 173.6 | 0 | 0 | 0 | 111.3 | S185 L188 Y202 L246 E247 Q252 L253 E254 | S185-L250 WeakPolarHBondContact OG-CD2 3.32Å; L188-L250 HydrophobicContact CD2-CD2 4.22Å; Y202-L250 HydrophobicContact CE2-CD1 4.23Å; L246-L250 HydrophobicContact CD1-CD1 4.17Å; L246-L250 HydrophobicContact CD1-CD2 4.41Å; L246-L250 HydrophobicContact CD1-CG 4.06Å; L246-L250 HydrophobicContact CG-CD1 4.11Å; L246-L250 HydrophobicContact CG-CG 4.44Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.16Å; L246-L250 PolarHBondContact O-N 2.88Å; E247-L250 PolarHBondContact O-N 2.97Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 3.46Å; L250-L253 WeakPolarHBondContact O-CB 3.37Å; L250-L253 PolarHBondContact O-N 2.95Å; L250-E254 PolarHBondContact O-N 3.36Å; L250-E254 VanDerWaalsContact O-N 3.1Å |
| 251 | Q | 98.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 48 Ų | 48 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 177.6 | -176 | 61.7 | 81.2 | 0 | 0 | 112.4 | E247 V249 E254 V255 | E247-Q251 WeakPolarHBondContact O-CB 3.37Å; E247-Q251 PolarHBondContact O-N 3.42Å; V249-Q251 PolarHBondContact O-N 3.36Å; Q251-E254 PolarHBondContact NE2-OE2 3Å; Q251-E254 WeakPolarHBondContact O-CB 3.23Å; Q251-E254 PolarHBondContact O-N 3.01Å; Q251-V255 WeakPolarHBondContact O-CG2 3.3Å; Q251-V255 PolarHBondContact O-N 2.66Å; Q251-V255 VanDerWaalsContact O-N 3.15Å |
| 252 | Q | 98.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.2 | -28.1 | -179.4 | -65.9 | -63.5 | -48.8 | 0 | 0 | 112.1 | Q248 V249 L250 V255 L256 W340 F341 | Q248-Q252 HydrophobicContact CG-CG 4.43Å; Q248-Q252 WeakPolarHBondContact O-CB 3.31Å; Q248-Q252 WeakPolarHBondContact O-CG 3.26Å; Q248-Q252 PolarHBondContact O-N 3.38Å; V249-Q252 PolarHBondContact O-N 3.46Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 3.46Å; Q252-V255 PolarHBondContact O-N 3.26Å; Q252-L256 WeakPolarHBondContact O-CB 3.18Å; Q252-L256 PolarHBondContact O-N 2.86Å; Q252-W340 HydrophobicContact CB-CD2 3.86Å; Q252-W340 HydrophobicContact CB-CE3 3.44Å; Q252-W340 VanDerWaalsContact CB-CE3 3.44Å; Q252-W340 HydrophobicContact CB-CG 4.44Å; Q252-W340 HydrophobicContact CB-CH2 4.27Å; Q252-W340 HydrophobicContact CB-CZ3 3.67Å; Q252-W340 HydrophobicContact CG-CB 4.37Å; Q252-W340 HydrophobicContact CG-CD2 3.48Å; Q252-W340 VanDerWaalsContact CG-CD2 3.48Å; Q252-W340 HydrophobicContact CG-CE3 3.66Å; Q252-W340 HydrophobicContact CG-CG 3.81Å; Q252-W340 HydrophobicContact CG-CH2 4.28Å; Q252-W340 HydrophobicContact CG-CZ2 4.16Å; Q252-W340 HydrophobicContact CG-CZ3 4.05Å; Q252-F341 HydrophobicContact CB-CE2 3.86Å |
| 253 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 166.6 | -75.4 | 169.4 | 0 | 0 | 0 | 109.9 | V184 V249 L250 V255 L256 F257 V328 V330 F341 | V184-L253 HydrophobicContact CG1-CD1 4.25Å; V249-L253 HydrophobicContact CG1-CD1 4.05Å; V249-L253 HydrophobicContact CG1-CG 4.4Å; V249-L253 WeakPolarHBondContact O-CG 3.2Å; V249-L253 PolarHBondContact O-N 2.78Å; L250-L253 WeakPolarHBondContact O-CB 3.37Å; L250-L253 PolarHBondContact O-N 2.95Å; L253-V255 VanDerWaalsContact C-N 3.3Å; L253-V255 PolarHBondContact O-N 3.36Å; L253-L256 PolarHBondContact O-N 3.19Å; L253-L256 VanDerWaalsContact O-N 3.1Å; L253-F257 HydrophobicContact CD2-CE2 4.28Å; L253-F257 WeakPolarHBondContact O-CB 3.25Å; L253-F257 VanDerWaalsContact O-CD2 3.27Å; L253-F257 WeakPolarHBondContact O-CD2 3.42Å; L253-F257 PolarHBondContact O-N 3.42Å; L253-V328 HydrophobicContact CD2-CG1 4.3Å; L253-V330 HydrophobicContact CD2-CG2 3.6Å; L253-F341 HydrophobicContact CD2-CZ 3.95Å; L253-F341 HydrophobicContact CG-CZ 4.29Å |
| 254 | E | 98.2 | Very high | 97.8 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.5 | -44.8 | 177.1 | -69.2 | 174.9 | -179.9 | 0 | 0 | 112.2 | C181 L250 Q251 F257 S258 | C181-E254 VanDerWaalsContact SG-CA 3.6Å; L250-E254 PolarHBondContact O-N 3.36Å; L250-E254 VanDerWaalsContact O-N 3.1Å; Q251-E254 PolarHBondContact NE2-OE2 3Å; Q251-E254 WeakPolarHBondContact O-CB 3.23Å; Q251-E254 PolarHBondContact O-N 3.01Å; E254-F257 PolarHBondContact O-N 3.3Å; E254-S258 PolarHBondContact O-N 3.4Å |
| 255 | V | 98.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60 | -50 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | Q251 Q252 L253 F257 S258 L259 | Q251-V255 WeakPolarHBondContact O-CG2 3.3Å; Q251-V255 PolarHBondContact O-N 2.66Å; Q251-V255 VanDerWaalsContact O-N 3.15Å; Q252-V255 PolarHBondContact O-N 3.26Å; L253-V255 VanDerWaalsContact C-N 3.3Å; L253-V255 PolarHBondContact O-N 3.36Å; V255-F257 PolarHBondContact O-N 2.88Å; V255-S258 PolarHBondContact O-N 3.12Å; V255-S258 PolarHBondContact O-OG 2.74Å; V255-L259 HydrophobicContact CG1-CD1 3.99Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 2.78Å |
| 256 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | -179.7 | -174.9 | 160.8 | 0 | 0 | 0 | 111.5 | Q252 L253 S258 L259 S260 V262 V330 A332 V338 F341 | Q252-L256 WeakPolarHBondContact O-CB 3.18Å; Q252-L256 PolarHBondContact O-N 2.86Å; L253-L256 PolarHBondContact O-N 3.19Å; L253-L256 VanDerWaalsContact O-N 3.1Å; L256-S258 PolarHBondContact O-N 3.19Å; L256-L259 PolarHBondContact O-N 2.93Å; L256-S260 PolarHBondContact O-N 2.97Å; L256-V262 HydrophobicContact CD2-CG2 3.35Å; L256-V330 HydrophobicContact CD1-CB 4Å; L256-V330 HydrophobicContact CD1-CG1 3.95Å; L256-V330 HydrophobicContact CD1-CG2 4.37Å; L256-V330 HydrophobicContact CD2-CG1 3.62Å; L256-V330 HydrophobicContact CG-CG1 4.47Å; L256-A332 HydrophobicContact CD2-CB 4Å; L256-V338 HydrophobicContact CB-CG2 4.22Å; L256-V338 HydrophobicContact CD1-CG1 4.5Å; L256-V338 HydrophobicContact CD1-CG2 4.3Å; L256-V338 HydrophobicContact CG-CG2 4.33Å; L256-F341 HydrophobicContact CB-CD2 4.4Å; L256-F341 HydrophobicContact CB-CE2 4.28Å; L256-F341 HydrophobicContact CD1-CB 4.45Å; L256-F341 HydrophobicContact CD1-CD1 4.4Å; L256-F341 HydrophobicContact CD1-CD2 3.6Å; L256-F341 HydrophobicContact CD1-CE2 3.88Å; L256-F341 HydrophobicContact CD1-CG 3.91Å; L256-F341 HydrophobicContact CD1-CZ 4.42Å |
| 257 | F | 97.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -22.1 | 175.5 | -87.9 | -100.2 | 0 | 0 | 0 | 112.6 | Q177 C180 C181 V184 L253 E254 V255 V262 V265 M284 | Q177-F257 VanDerWaalsContact CG-O 3.27Å; Q177-F257 WeakPolarHBondContact CG-O 3.39Å; Q177-F257 PolarHBondContact NE2-O 3.27Å; C180-F257 HydrophobicContact CB-CD1 4.32Å; C180-F257 HydrophobicContact CB-CE1 3.83Å; C181-F257 HydrophobicContact CB-CB 3.81Å; C181-F257 HydrophobicContact CB-CD1 3.75Å; C181-F257 HydrophobicContact CB-CD2 4Å; C181-F257 HydrophobicContact CB-CE1 4.28Å; C181-F257 HydrophobicContact CB-CE2 4.5Å; C181-F257 HydrophobicContact CB-CG 3.59Å; V184-F257 HydrophobicContact CB-CZ 4.4Å; V184-F257 HydrophobicContact CG2-CZ 3.93Å; L253-F257 HydrophobicContact CD2-CE2 4.28Å; L253-F257 WeakPolarHBondContact O-CB 3.25Å; L253-F257 VanDerWaalsContact O-CD2 3.27Å; L253-F257 WeakPolarHBondContact O-CD2 3.42Å; L253-F257 PolarHBondContact O-N 3.42Å; E254-F257 PolarHBondContact O-N 3.3Å; V255-F257 PolarHBondContact O-N 2.88Å; F257-V262 HydrophobicContact CD1-CB 4.14Å; F257-V262 HydrophobicContact CD1-CG2 3.94Å; F257-V262 HydrophobicContact CD2-CG2 3.9Å; F257-V262 HydrophobicContact CE1-CB 3.6Å; F257-V262 HydrophobicContact CE1-CG1 4.14Å; F257-V262 HydrophobicContact CE1-CG2 3.87Å; F257-V262 HydrophobicContact CE2-CB 4.08Å; F257-V262 HydrophobicContact CE2-CG1 4.01Å; F257-V262 HydrophobicContact CE2-CG2 3.84Å; F257-V262 HydrophobicContact CG-CG2 3.97Å; F257-V262 HydrophobicContact CZ-CB 3.57Å; F257-V262 HydrophobicContact CZ-CG1 3.59Å; F257-V262 HydrophobicContact CZ-CG2 3.82Å; F257-V265 HydrophobicContact CZ-CG2 4.38Å; F257-M284 HydrophobicContact CE1-CE 4.28Å; F257-M284 HydrophobicContact CZ-CE 4.03Å |
| 258 | S | 97.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 32 Ų | 32 | 62% | 0.622 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -79.3 | -22.2 | 171.5 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | E254 V255 L256 | E254-S258 PolarHBondContact O-N 3.4Å; V255-S258 PolarHBondContact O-N 3.12Å; V255-S258 PolarHBondContact O-OG 2.74Å; L256-S258 PolarHBondContact O-N 3.19Å |
| 259 | L | 97.3 | Very high | 97.7 | Very high | 83 Ų | 83 | 28.3 Ų | 28.3 | 44% | 0.435 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -97 | -25.5 | -175.1 | -65.9 | 173.2 | 0 | 0 | 0 | 113.4 | V255 L256 C336 V338 | V255-L259 HydrophobicContact CG1-CD1 3.99Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 2.78Å; L256-L259 PolarHBondContact O-N 2.93Å; L259-C336 HydrophobicContact CB-CB 4.34Å; L259-V338 HydrophobicContact CD1-CB 4.26Å |
| 260 | S | 96.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -149.2 | 153.9 | -175 | -154.2 | 0 | 0 | 0 | 0 | 112 | Q177 L256 H333 | Q177-S260 PolarHBondContact NE2-O 3.43Å; L256-S260 PolarHBondContact O-N 2.97Å; S260-H333 WeakPolarHBondContact OG-CB 3.46Å; S260-H333 PolarHBondContact OG-N 3.44Å |
| 261 | L | 96.1 | Very high | 97.1 | Very high | 67 Ų | 67 | 31.4 Ų | 31.4 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | trans | -66 | 149.1 | 161.9 | -57.8 | -175.3 | 0 | 0 | 0 | 109.2 | L289 W381 Y384 | L261-L289 HydrophobicContact CD2-CD1 3.38Å; L261-W381 HydrophobicContact CB-CH2 4.34Å; L261-W381 HydrophobicContact CB-CZ3 4.14Å; L261-W381 HydrophobicContact CD1-CH2 4.31Å; L261-W381 HydrophobicContact CD1-CZ3 4.46Å; L261-Y384 HydrophobicContact CB-CE1 4.5Å; L261-Y384 WeakPolarHBondContact O-CE1 3.4Å | ||
| 262 | V | 97.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | trans | -128.3 | 93.3 | -178.2 | 179 | 0 | 0 | 0 | 0 | 108.4 | L256 F257 V265 M284 V330 | L256-V262 HydrophobicContact CD2-CG2 3.35Å; F257-V262 HydrophobicContact CD1-CB 4.14Å; F257-V262 HydrophobicContact CD1-CG2 3.94Å; F257-V262 HydrophobicContact CD2-CG2 3.9Å; F257-V262 HydrophobicContact CE1-CB 3.6Å; F257-V262 HydrophobicContact CE1-CG1 4.14Å; F257-V262 HydrophobicContact CE1-CG2 3.87Å; F257-V262 HydrophobicContact CE2-CB 4.08Å; F257-V262 HydrophobicContact CE2-CG1 4.01Å; F257-V262 HydrophobicContact CE2-CG2 3.84Å; F257-V262 HydrophobicContact CG-CG2 3.97Å; F257-V262 HydrophobicContact CZ-CB 3.57Å; F257-V262 HydrophobicContact CZ-CG1 3.59Å; F257-V262 HydrophobicContact CZ-CG2 3.82Å; V262-V265 HydrophobicContact CG1-CG2 3.56Å; V262-M284 HydrophobicContact CG1-CE 4.07Å; V262-M284 WeakPolarHBondContact O-CE 3.38Å; V262-V330 HydrophobicContact CB-CG1 4.31Å; V262-V330 HydrophobicContact CG1-CG1 3.39Å; V262-V330 HydrophobicContact CG2-CG1 3.91Å | ||
| 263 | P | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -67.2 | -36.1 | 177.2 | 22.8 | -34.3 | 0 | 0 | 0 | 112.6 | M284 E285 L331 W381 Y384 | P263-M284 CarbonylContact O-C 3.31Å; P263-M284 WeakPolarHBondContact O-CA 3.42Å; P263-M284 PolarHBondContact O-N 3.31Å; P263-E285 HydrophobicContact CB-CG 3.6Å; P263-E285 PolarHBondContact O-N 3.07Å; P263-L331 WeakPolarHBondContact CD-O 3.39Å; P263-L331 HydrophobicContact CG-CB 4.17Å; P263-L331 HydrophobicContact CG-CD2 3.8Å; P263-L331 HydrophobicContact CG-CG 3.89Å; P263-W381 HydrophobicContact CB-CD2 4Å; P263-W381 HydrophobicContact CB-CE3 4.09Å; P263-W381 HydrophobicContact CB-CH2 4.06Å; P263-W381 HydrophobicContact CB-CZ2 3.95Å; P263-W381 HydrophobicContact CB-CZ3 4.12Å; P263-W381 HydrophobicContact CG-CD2 3.95Å; P263-W381 HydrophobicContact CG-CE3 3.68Å; P263-W381 HydrophobicContact CG-CH2 4.33Å; P263-W381 HydrophobicContact CG-CZ3 3.88Å; P263-Y384 HydrophobicContact CG-CD1 3.9Å; P263-Y384 HydrophobicContact CG-CE1 4.23Å |
| 264 | R | 98.1 | Very high | 96.2 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 21% | 0.208 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.2 | -172.2 | -66.7 | 172.6 | 65.1 | -175.5 | 7.3 | 112.7 | E281 V282 E285 L331 W386 | R264-E281 IonicContact CZ-OE1 3.46Å; R264-E281 IonicContact CZ-OE2 3.41Å; R264-E281 IonicContact NE-OE1 3.24Å; R264-E281 PolarHBondContact NE-OE1 3.09Å; R264-E281 IonicContact NE-OE2 3.69Å; R264-E281 IonicContact NH2-OE1 3.58Å; R264-E281 PolarHBondContact NH2-OE1 3.22Å; R264-E281 IonicContact NH2-OE2 2.79Å; R264-E281 PolarHBondContact NH2-OE2 2.86Å; R264-V282 WeakPolarHBondContact CA-O 3.39Å; R264-E285 WeakPolarHBondContact CD-OE1 3.15Å; R264-E285 HydrophobicContact CG-CG 4.25Å; R264-L331 HydrophobicContact CB-CB 4.15Å; R264-L331 HydrophobicContact CB-CD2 4.26Å; R264-L331 PolarHBondContact O-N 3.08Å; R264-W386 HydrophobicContact CB-CH2 3.77Å; R264-W386 HydrophobicContact CB-CZ2 4.49Å |
| 265 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.3 | 173 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | V184 F257 V262 L267 E281 V282 M284 V328 M329 V330 | V184-V265 HydrophobicContact CG1-CB 4.25Å; V184-V265 HydrophobicContact CG1-CG1 3.86Å; V184-V265 HydrophobicContact CG1-CG2 4.08Å; V184-V265 HydrophobicContact CG2-CB 4.42Å; V184-V265 HydrophobicContact CG2-CG2 3.91Å; F257-V265 HydrophobicContact CZ-CG2 4.38Å; V262-V265 HydrophobicContact CG1-CG2 3.56Å; V265-L267 HydrophobicContact CG1-CD2 4.06Å; V265-E281 WeakPolarHBondContact O-CA 3.45Å; V265-V282 HydrophobicContact CB-CB 4.41Å; V265-V282 PolarHBondContact N-O 2.93Å; V265-V282 PolarHBondContact O-N 3.29Å; V265-M284 HydrophobicContact CG2-CE 4.02Å; V265-V328 HydrophobicContact CG1-CG1 4.22Å; V265-M329 CarbonylContact C-O 3.58Å; V265-M329 WeakPolarHBondContact CA-O 3.31Å; V265-M329 WeakPolarHBondContact CG1-O 3.49Å; V265-V330 HydrophobicContact CG1-CG2 4.42Å; V265-V330 HydrophobicContact CG2-CG1 4.27Å |
| 266 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.7 | 175.1 | -52.7 | 175.4 | 0 | 0 | 0 | 110.7 | L268 L279 Y280 E281 M329 F347 V349 W386 | L266-L268 HydrophobicContact CB-CD1 3.78Å; L266-L279 HydrophobicContact CB-CD1 4.16Å; L266-L279 HydrophobicContact CD2-CD1 4.25Å; L266-Y280 CarbonylContact C-O 3.54Å; L266-Y280 WeakPolarHBondContact CA-O 3.4Å; L266-E281 HydrophobicContact CD2-CB 3.84Å; L266-E281 HydrophobicContact CD2-CG 3.79Å; L266-M329 HydrophobicContact CB-CB 4.23Å; L266-M329 PolarHBondContact N-O 3.21Å; L266-M329 PolarHBondContact O-N 3.26Å; L266-F347 HydrophobicContact CD1-CE1 3.76Å; L266-F347 HydrophobicContact CD1-CZ 4.01Å; L266-V349 HydrophobicContact CD1-CG1 4.29Å; L266-V349 HydrophobicContact CD1-CG2 4.14Å; L266-W386 HydrophobicContact CD1-CE3 4.23Å; L266-W386 HydrophobicContact CD1-CH2 3.64Å; L266-W386 HydrophobicContact CD1-CZ2 3.97Å; L266-W386 HydrophobicContact CD1-CZ3 3.79Å; L266-W386 HydrophobicContact CD2-CH2 4.03Å; L266-W386 HydrophobicContact CG-CE3 4.46Å; L266-W386 HydrophobicContact CG-CH2 3.5Å; L266-W386 VanDerWaalsContact CG-CH2 3.5Å; L266-W386 HydrophobicContact CG-CZ2 4.3Å; L266-W386 HydrophobicContact CG-CZ3 3.6Å |
| 267 | L | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 107.5 | 172.6 | -45.7 | 175.6 | 0 | 0 | 0 | 107.8 | I187 L188 I191 V265 L269 Y280 V328 | I187-L267 HydrophobicContact CG2-CD1 4.48Å; L188-L267 HydrophobicContact CB-CD1 4.23Å; L188-L267 HydrophobicContact CD1-CD1 4.14Å; L188-L267 HydrophobicContact CD1-CD2 4.06Å; I191-L267 HydrophobicContact CD1-CD1 3.54Å; V265-L267 HydrophobicContact CG1-CD2 4.06Å; L267-L269 HydrophobicContact CB-CD1 4.45Å; L267-Y280 PolarHBondContact N-O 3.09Å; L267-Y280 PolarHBondContact O-N 2.88Å; L267-V328 HydrophobicContact CD2-CB 4.44Å; L267-V328 HydrophobicContact CD2-CG1 4.08Å; L267-V328 HydrophobicContact CD2-CG2 3.93Å |
| 268 | L | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.8 | -175.5 | -60.9 | 91 | 0 | 0 | 0 | 109.1 | L266 L273 P276 L279 T326 T327 M329 | L266-L268 HydrophobicContact CB-CD1 3.78Å; L268-L273 HydrophobicContact CD2-CD2 4.34Å; L268-P276 HydrophobicContact CB-CB 4.09Å; L268-P276 HydrophobicContact CD2-CB 4.18Å; L268-P276 HydrophobicContact CD2-CG 4.1Å; L268-P276 HydrophobicContact CG-CB 4.47Å; L268-L279 HydrophobicContact CD2-CD1 4.45Å; L268-L279 HydrophobicContact CG-CD1 3.91Å; L268-T326 CarbonylContact O-C 3.43Å; L268-T326 WeakPolarHBondContact O-CA 3.44Å; L268-T327 PolarHBondContact N-O 3Å; L268-T327 PolarHBondContact O-N 3.29Å; L268-M329 HydrophobicContact CD1-CB 4.35Å; L268-M329 HydrophobicContact CD1-CG 3.81Å; L268-M329 HydrophobicContact CD1-SD 3.92Å |
| 269 | L | 94.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.5 | 179.2 | -73.8 | 69.4 | 0 | 0 | 0 | 110 | I191 R195 Q197 L267 K277 E278 Y280 T326 | I191-L269 HydrophobicContact CG2-CD1 4.18Å; I191-L269 HydrophobicContact CG2-CD2 4.25Å; R195-L269 HydrophobicContact CB-CD2 3.78Å; R195-L269 HydrophobicContact CG-CD2 3.84Å; Q197-L269 HydrophobicContact CG-CD2 4.29Å; L267-L269 HydrophobicContact CB-CD1 4.45Å; L269-K277 WeakPolarHBondContact O-CB 3.26Å; L269-K277 PolarHBondContact O-N 2.74Å; L269-E278 HydrophobicContact CB-CB 4.23Å; L269-E278 PolarHBondContact N-O 3.48Å; L269-E278 PolarHBondContact O-N 2.95Å; L269-Y280 HydrophobicContact CD1-CD2 3.76Å; L269-Y280 HydrophobicContact CD1-CE2 3.87Å; L269-Y280 HydrophobicContact CD2-CE2 4.27Å; L269-T326 HydrophobicContact CD1-CG2 4Å; L269-T326 HydrophobicContact CG-CG2 4.27Å |
| 270 | G | 92.5 | Very high | 95.3 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.3 | 179.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P276 K277 A325 | G270-P276 WeakPolarHBondContact O-CA 3.43Å; G270-K277 PolarHBondContact O-N 3.41Å; G270-A325 PolarHBondContact N-O 2.91Å |
| 271 | G | 91.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 63% | 0.629 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 69.8 | -147.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 272 | S | 92.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 31.3 Ų | 31.3 | 47% | 0.469 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 169.1 | 175.5 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | L274 L275 P276 | S272-L274 PolarHBondContact O-N 3.48Å; S272-L274 VanDerWaalsContact O-N 3.15Å; S272-L274 PolarHBondContact OG-N 3.26Å; S272-L275 PolarHBondContact N-O 3.01Å; S272-L275 CarbonylContact O-C 3.49Å; S272-L275 PolarHBondContact O-N 3.45Å; S272-L275 VanDerWaalsContact O-N 3.13Å; S272-L275 PolarHBondContact OG-N 3.15Å; S272-P276 WeakPolarHBondContact O-CA 3.41Å; S272-P276 WeakPolarHBondContact O-CD 3.23Å |
| 273 | L | 92.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.6 | 177.3 | -61.1 | 177.9 | 0 | 0 | 0 | 113.3 | L268 T327 M329 F347 P350 | L268-L273 HydrophobicContact CD2-CD2 4.34Å; L273-T327 HydrophobicContact CD2-CG2 3.9Å; L273-M329 HydrophobicContact CD2-SD 4.05Å; L273-F347 HydrophobicContact CB-CE2 4.14Å; L273-P350 WeakPolarHBondContact O-CG 3.43Å |
| 274 | L | 91.4 | Very high | 95.5 | Very high | 129 Ų | 129 | 32.1 Ų | 32.1 | 68% | 0.675 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -24.7 | -179.4 | -62.2 | 178.1 | 0 | 0 | 0 | 112.9 | S272 | S272-L274 PolarHBondContact O-N 3.48Å; S272-L274 VanDerWaalsContact O-N 3.15Å; S272-L274 PolarHBondContact OG-N 3.26Å |
| 275 | L | 93.4 | Very high | 95.3 | Very high | 97 Ų | 97 | 33 Ų | 33 | 51% | 0.508 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 72.1 | -177.8 | -163.7 | 72.3 | 0 | 0 | 0 | 109.3 | S272 R352 V353 | S272-L275 PolarHBondContact N-O 3.01Å; S272-L275 CarbonylContact O-C 3.49Å; S272-L275 PolarHBondContact O-N 3.45Å; S272-L275 VanDerWaalsContact O-N 3.13Å; S272-L275 PolarHBondContact OG-N 3.15Å; L275-R352 HydrophobicContact CD1-CB 4.12Å; L275-V353 HydrophobicContact CD1-CG2 3.83Å |
| 276 | P | 94.6 | Very high | 95 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 161 | 173.9 | 29.6 | -36 | 0 | 0 | 0 | 110.2 | L268 G270 S272 L279 P350 V353 | L268-P276 HydrophobicContact CB-CB 4.09Å; L268-P276 HydrophobicContact CD2-CB 4.18Å; L268-P276 HydrophobicContact CD2-CG 4.1Å; L268-P276 HydrophobicContact CG-CB 4.47Å; G270-P276 WeakPolarHBondContact O-CA 3.43Å; S272-P276 WeakPolarHBondContact O-CA 3.41Å; S272-P276 WeakPolarHBondContact O-CD 3.23Å; P276-L279 HydrophobicContact CG-CB 4.14Å; P276-P350 HydrophobicContact CG-CB 4.39Å; P276-P350 HydrophobicContact CG-CG 4.19Å; P276-V353 HydrophobicContact CG-CB 4.44Å; P276-V353 HydrophobicContact CG-CG1 4.43Å; P276-V353 HydrophobicContact CG-CG2 4.13Å; P276-V353 WeakPolarHBondContact O-CG2 3.32Å |
| 277 | K | 93.1 | Very high | 94.8 | Very high | 110 Ų | 110 | 39 Ų | 39 | 48% | 0.478 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -40.8 | 171.8 | -64.5 | -178.2 | 178.5 | 177.4 | 0 | 110.6 | L269 G270 T324 | L269-K277 WeakPolarHBondContact O-CB 3.26Å; L269-K277 PolarHBondContact O-N 2.74Å; G270-K277 PolarHBondContact O-N 3.41Å; K277-T324 HydrophobicContact CD-CG2 4.24Å |
| 278 | E | 93.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.3 | 176.4 | -60.4 | 171.3 | -169 | 0 | 0 | 109.1 | R195 L269 Y280 V321 | R195-E278 IonicContact CZ-OE1 3.92Å; R195-E278 IonicContact CZ-OE2 2.83Å; R195-E278 IonicContact NE-OE1 3.81Å; R195-E278 IonicContact NE-OE2 3.1Å; R195-E278 PolarHBondContact NE-OE2 2.92Å; R195-E278 VanDerWaalsContact NH2-CD 3.33Å; R195-E278 IonicContact NH2-OE1 2.72Å; R195-E278 PolarHBondContact NH2-OE1 3.4Å; R195-E278 IonicContact NH2-OE2 3.8Å; R195-E278 PolarHBondContact NH2-OE2 3.34Å; L269-E278 HydrophobicContact CB-CB 4.23Å; L269-E278 PolarHBondContact N-O 3.48Å; L269-E278 PolarHBondContact O-N 2.95Å; E278-Y280 HydrophobicContact CB-CE2 3.98Å; E278-Y280 PolarHBondContact OE2-OH 3.46Å; E278-V321 WeakPolarHBondContact OE1-CG2 3.35Å |
| 279 | L | 95.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.7 | 179.8 | 176.1 | 62.6 | 0 | 0 | 0 | 108.1 | L266 L268 P276 V349 P350 V353 S355 Q356 | L266-L279 HydrophobicContact CB-CD1 4.16Å; L266-L279 HydrophobicContact CD2-CD1 4.25Å; L268-L279 HydrophobicContact CD2-CD1 4.45Å; L268-L279 HydrophobicContact CG-CD1 3.91Å; P276-L279 HydrophobicContact CG-CB 4.14Å; L279-V349 HydrophobicContact CD2-CG1 4.13Å; L279-P350 HydrophobicContact CD2-CB 4.4Å; L279-V353 HydrophobicContact CB-CG1 4.41Å; L279-S355 WeakPolarHBondContact O-CA 3.17Å; L279-Q356 PolarHBondContact O-N 3.02Å |
| 280 | Y | 97.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.3 | 169.3 | -58.9 | -92.5 | 0 | 0 | 0 | 109.1 | I191 R195 L266 L267 L269 E278 L315 Q356 | I191-Y280 HydrophobicContact CD1-CD1 3.85Å; I191-Y280 HydrophobicContact CD1-CD2 4.25Å; I191-Y280 HydrophobicContact CD1-CG 3.71Å; I191-Y280 HydrophobicContact CG1-CD1 4.34Å; I191-Y280 HydrophobicContact CG1-CG 4.45Å; I191-Y280 HydrophobicContact CG2-CD2 3.93Å; I191-Y280 HydrophobicContact CG2-CE2 3.84Å; I191-Y280 HydrophobicContact CG2-CG 4.44Å; R195-Y280 WeakPolarHBondContact CD-OH 3.39Å; R195-Y280 HydrophobicContact CG-CE2 4.4Å; R195-Y280 PolarHBondContact NE-OH 3.38Å; L266-Y280 CarbonylContact C-O 3.54Å; L266-Y280 WeakPolarHBondContact CA-O 3.4Å; L267-Y280 PolarHBondContact N-O 3.09Å; L267-Y280 PolarHBondContact O-N 2.88Å; L269-Y280 HydrophobicContact CD1-CD2 3.76Å; L269-Y280 HydrophobicContact CD1-CE2 3.87Å; L269-Y280 HydrophobicContact CD2-CE2 4.27Å; E278-Y280 HydrophobicContact CB-CE2 3.98Å; E278-Y280 PolarHBondContact OE2-OH 3.46Å; Y280-L315 HydrophobicContact CD1-CD2 3.94Å; Y280-L315 HydrophobicContact CE1-CD2 3.49Å; Y280-L315 VanDerWaalsContact CE1-CD2 3.49Å; Y280-Q356 WeakPolarHBondContact CA-O 3.26Å; Y280-Q356 HydrophobicContact CD1-CB 3.54Å; Y280-Q356 HydrophobicContact CD1-CG 4.18Å; Y280-Q356 HydrophobicContact CE1-CB 3.74Å; Y280-Q356 HydrophobicContact CE1-CG 3.88Å; Y280-Q356 HydrophobicContact CG-CB 4.42Å |
| 281 | E | 98.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.3 | 176.8 | 178.6 | 172.7 | 154.3 | 0 | 0 | 109.4 | R264 V265 L266 Q356 V357 I358 | R264-E281 IonicContact CZ-OE1 3.46Å; R264-E281 IonicContact CZ-OE2 3.41Å; R264-E281 IonicContact NE-OE1 3.24Å; R264-E281 PolarHBondContact NE-OE1 3.09Å; R264-E281 IonicContact NE-OE2 3.69Å; R264-E281 IonicContact NH2-OE1 3.58Å; R264-E281 PolarHBondContact NH2-OE1 3.22Å; R264-E281 IonicContact NH2-OE2 2.79Å; R264-E281 PolarHBondContact NH2-OE2 2.86Å; V265-E281 WeakPolarHBondContact O-CA 3.45Å; L266-E281 HydrophobicContact CD2-CB 3.84Å; L266-E281 HydrophobicContact CD2-CG 3.79Å; E281-Q356 PolarHBondContact N-O 3.21Å; E281-V357 HydrophobicContact CB-CG1 4.46Å; E281-V357 HydrophobicContact CB-CG2 4.28Å; E281-V357 HydrophobicContact CG-CG1 4.44Å; E281-V357 CarbonylContact O-C 3.59Å; E281-V357 WeakPolarHBondContact O-CA 3.41Å; E281-I358 PolarHBondContact O-N 3.5Å |
| 282 | V | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 108.5 | 166.3 | -173.5 | 0 | 0 | 0 | 0 | 106.7 | V184 I187 R264 V265 M284 L360 | V184-V282 HydrophobicContact CG2-CB 4.49Å; V184-V282 HydrophobicContact CG2-CG1 4.16Å; I187-V282 HydrophobicContact CD1-CG1 4.09Å; I187-V282 HydrophobicContact CD1-CG2 4.06Å; I187-V282 HydrophobicContact CG2-CG2 3.88Å; R264-V282 WeakPolarHBondContact CA-O 3.39Å; V265-V282 HydrophobicContact CB-CB 4.41Å; V265-V282 PolarHBondContact N-O 2.93Å; V265-V282 PolarHBondContact O-N 3.29Å; V282-M284 HydrophobicContact CG1-CE 4.38Å; V282-M284 HydrophobicContact CG1-CG 4.21Å; V282-M284 HydrophobicContact CG1-SD 4.38Å; V282-L360 HydrophobicContact CG1-CD1 4.07Å; V282-L360 HydrophobicContact CG1-CG 4.42Å |
| 283 | N | 97.9 | Very high | 91.5 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.1 | 178.4 | -177 | 7 | 0 | 0 | 0 | 109.4 | E285 V357 I358 L360 | N283-E285 WeakPolarHBondContact OD1-CB 3.37Å; N283-E285 WeakPolarHBondContact OD1-CG 3.33Å; N283-E285 PolarHBondContact OD1-N 2.86Å; N283-V357 HydrophobicContact CB-CG1 4.42Å; N283-I358 PolarHBondContact N-O 3.43Å; N283-L360 PolarHBondContact O-N 3.43Å |
| 284 | M | 97.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 17.2 | -179.1 | -63.9 | 174.9 | -74.3 | 0 | 0 | 111.5 | C180 V184 F257 V262 P263 V265 V282 D286 V287 L360 | C180-M284 HydrophobicContact CB-SD 3.85Å; V184-M284 HydrophobicContact CG2-CE 3.64Å; V184-M284 HydrophobicContact CG2-SD 4.09Å; F257-M284 HydrophobicContact CE1-CE 4.28Å; F257-M284 HydrophobicContact CZ-CE 4.03Å; V262-M284 HydrophobicContact CG1-CE 4.07Å; V262-M284 WeakPolarHBondContact O-CE 3.38Å; P263-M284 CarbonylContact O-C 3.31Å; P263-M284 WeakPolarHBondContact O-CA 3.42Å; P263-M284 PolarHBondContact O-N 3.31Å; V265-M284 HydrophobicContact CG2-CE 4.02Å; V282-M284 HydrophobicContact CG1-CE 4.38Å; V282-M284 HydrophobicContact CG1-CG 4.21Å; V282-M284 HydrophobicContact CG1-SD 4.38Å; M284-D286 PolarHBondContact O-N 3.41Å; M284-V287 HydrophobicContact CB-CB 4.29Å; M284-V287 HydrophobicContact CB-CG2 3.77Å; M284-V287 HydrophobicContact CG-CG2 4.14Å; M284-V287 WeakPolarHBondContact O-CB 3.37Å; M284-V287 PolarHBondContact O-N 3.11Å; M284-V287 VanDerWaalsContact O-N 3.12Å; M284-L360 HydrophobicContact CG-CB 4.22Å; M284-L360 HydrophobicContact CG-CD1 3.93Å; M284-L360 HydrophobicContact CG-CG 4.33Å; M284-L360 HydrophobicContact SD-CD1 4.36Å |
| 285 | E | 95 | Very high | 91 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | -33.9 | 179 | -73.8 | 178.7 | -179.3 | 0 | 0 | 112.3 | P263 R264 N283 | P263-E285 HydrophobicContact CB-CG 3.6Å; P263-E285 PolarHBondContact O-N 3.07Å; R264-E285 WeakPolarHBondContact CD-OE1 3.15Å; R264-E285 HydrophobicContact CG-CG 4.25Å; N283-E285 WeakPolarHBondContact OD1-CB 3.37Å; N283-E285 WeakPolarHBondContact OD1-CG 3.33Å; N283-E285 PolarHBondContact OD1-N 2.86Å |
| 286 | D | 93.2 | Very high | 91 | Very high | 107 Ų | 107 | 55.3 Ų | 55.3 | 57% | 0.572 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 10.1 | -179.2 | -59.6 | -48.6 | 0 | 0 | 0 | 113.3 | M284 C362 | M284-D286 PolarHBondContact O-N 3.41Å; D286-C362 PolarHBondContact O-N 3.43Å |
| 287 | V | 93.5 | Very high | 91 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 125.5 | 175 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | V175 M284 L289 L360 | V175-V287 HydrophobicContact CG2-CG1 3.17Å; M284-V287 HydrophobicContact CB-CB 4.29Å; M284-V287 HydrophobicContact CB-CG2 3.77Å; M284-V287 HydrophobicContact CG-CG2 4.14Å; M284-V287 WeakPolarHBondContact O-CB 3.37Å; M284-V287 PolarHBondContact O-N 3.11Å; M284-V287 VanDerWaalsContact O-N 3.12Å; V287-L289 HydrophobicContact CG1-CD2 4.11Å; V287-L360 HydrophobicContact CG2-CB 3.78Å; V287-L360 VanDerWaalsContact CG2-O 3.28Å; V287-L360 WeakPolarHBondContact CG2-O 3.27Å |
| 288 | I | 91 | Very high | 91.2 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 120.3 | 175.6 | -50.1 | 171.4 | 0 | 0 | 0 | 108.8 | L174 V175 C362 V367 V372 | L174-I288 HydrophobicContact CD2-CB 3.58Å; L174-I288 HydrophobicContact CD2-CG2 3.42Å; L174-I288 VanDerWaalsContact CD2-CG2 3.42Å; V175-I288 PolarHBondContact N-O 3.44Å; I288-C362 HydrophobicContact CB-CB 4.05Å; I288-C362 HydrophobicContact CD1-CB 4.1Å; I288-C362 HydrophobicContact CG1-CB 4Å; I288-C362 PolarHBondContact N-SG 3.12Å; I288-V367 HydrophobicContact CD1-CG1 4.31Å; I288-V367 HydrophobicContact CD1-CG2 4.43Å; I288-V367 HydrophobicContact CG2-CG1 4.49Å; I288-V372 HydrophobicContact CG2-CG2 4.22Å |
| 289 | L | 91.6 | Very high | 91.3 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 29% | 0.293 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -80.9 | 137.1 | -177.4 | -62.5 | -178.7 | 0 | 0 | 0 | 112.5 | V175 Q177 L261 V287 | V175-L289 HydrophobicContact CG2-CD2 4.39Å; V175-L289 CarbonylContact O-C 3.51Å; V175-L289 VanDerWaalsContact O-CA 3.26Å; V175-L289 WeakPolarHBondContact O-CA 3.39Å; Q177-L289 HydrophobicContact CB-CD1 4.31Å; L261-L289 HydrophobicContact CD2-CD1 3.38Å; V287-L289 HydrophobicContact CG1-CD2 4.11Å |
| 290 | A | 88.2 | Confident | 91.4 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -73 | 133.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L174 V175 | L174-A290 HydrophobicContact CB-CB 3.72Å; L174-A290 HydrophobicContact CD1-CB 4.4Å; V175-A290 PolarHBondContact O-N 3.1Å |
| 291 | T | 79.3 | Confident | 91.4 | Very high | 130 Ų | 130 | 64.9 Ų | 64.9 | 80% | 0.798 | 35% | 0.347 | S | S | * | . | trans | -98.7 | 114.1 | 164.5 | -46.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 292 | G | 71.2 | Confident | 91.4 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 76.6 | -152.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R294 | G292-R294 PolarHBondContact O-N 2.89Å; G292-R294 VanDerWaalsContact O-N 3.08Å |
| 293 | D | 75 | Confident | 91.4 | Very high | 171 Ų | 171 | 72.7 Ų | 72.7 | 91% | 0.914 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -79.2 | 10.1 | -164.5 | -57.1 | -31.1 | 0 | 0 | 0 | 115.7 | S295 | D293-S295 VanDerWaalsContact C-N 3.26Å; D293-S295 PolarHBondContact O-N 2.74Å |
| 294 | R | 81.3 | Confident | 91.4 | Very high | 207 Ų | 207 | 74 Ų | 74 | 78% | 0.781 | 38% | 0.383 | S | S | * | . | trans | -87.9 | 18 | -176.6 | -63.4 | -173.9 | -179.7 | -177.7 | 1.4 | 114.1 | G292 | G292-R294 PolarHBondContact O-N 2.89Å; G292-R294 VanDerWaalsContact O-N 3.08Å | ||
| 295 | S | 91.7 | Very high | 91.4 | Very high | 36 Ų | 36 | 73.6 Ų | 73.6 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 144 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | T176 D293 | T176-S295 VanDerWaalsContact CG2-CB 3.5Å; T176-S295 WeakPolarHBondContact CG2-OG 3.35Å; T176-S295 PolarHBondContact N-OG 2.5Å; D293-S295 VanDerWaalsContact C-N 3.26Å; D293-S295 PolarHBondContact O-N 2.74Å |
| 296 | L | 93.4 | Very high | 91.5 | Very high | 53 Ų | 53 | 73 Ų | 73 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 152 | 161.7 | -65.3 | 176.9 | 0 | 0 | 0 | 110.7 | F171 P172 L174 V298 C301 | F171-L296 HydrophobicContact CB-CD1 3.98Å; P172-L296 HydrophobicContact CG-CD1 4.05Å; L174-L296 WeakPolarHBondContact O-CG 3.28Å; L174-L296 PolarHBondContact O-N 2.92Å; L296-V298 PolarHBondContact O-N 3.45Å; L296-C301 VanDerWaalsContact CB-SG 3.57Å |
| 297 | R | 95.4 | Very high | 91.6 | Very high | 201 Ų | 201 | 75.8 Ų | 75.8 | 76% | 0.758 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 128.2 | 171.2 | -66.9 | -172.6 | -178.4 | 177.9 | 0.8 | 109.7 | S299 S300 C301 | R297-S299 PolarHBondContact O-N 3.02Å; R297-S300 PolarHBondContact O-N 2.94Å; R297-C301 PolarHBondContact O-N 2.98Å; R297-C301 PolarHBondContact O-SG 3.04Å |
| 298 | V | 96.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 75.7 Ų | 75.7 | 25% | 0.248 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -53.4 | -41.7 | 179.1 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | R182 F183 L296 S300 C301 L302 | R182-V298 HydrophobicContact CB-CG1 3.8Å; R182-V298 HydrophobicContact CG-CG1 4.24Å; F183-V298 HydrophobicContact CD1-CG1 4.47Å; F183-V298 HydrophobicContact CE1-CG1 3.91Å; L296-V298 PolarHBondContact O-N 3.45Å; V298-S300 VanDerWaalsContact C-N 3.33Å; V298-S300 PolarHBondContact O-N 3.4Å; V298-C301 PolarHBondContact O-N 3.28Å; V298-L302 HydrophobicContact CG1-CD1 3.97Å; V298-L302 HydrophobicContact CG1-CG 4.34Å; V298-L302 PolarHBondContact O-N 3.43Å |
| 299 | S | 97 | Very high | 91.9 | Very high | 58 Ų | 58 | 74.3 Ų | 74.3 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 179.5 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | R297 R303 | R297-S299 PolarHBondContact O-N 3.02Å; S299-R303 WeakPolarHBondContact O-CG 3.5Å; S299-R303 PolarHBondContact O-N 3.02Å; S299-R303 VanDerWaalsContact O-N 3.1Å; S299-R303 PolarHBondContact O-NE 3.43Å; S299-R303 PolarHBondContact OG-NH2 3.18Å |
| 300 | S | 97 | Very high | 92 | Very high | 55 Ų | 55 | 79.9 Ų | 79.9 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | 175.1 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | R297 V298 R303 Q304 | R297-S300 PolarHBondContact O-N 2.94Å; V298-S300 VanDerWaalsContact C-N 3.33Å; V298-S300 PolarHBondContact O-N 3.4Å; S300-R303 PolarHBondContact O-N 3.28Å; S300-R303 PolarHBondContact OG-NH2 3.39Å; S300-Q304 PolarHBondContact O-N 3.41Å; S300-Q304 VanDerWaalsContact O-N 3.07Å |
| 301 | C | 97.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 177 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | F171 F183 L296 R297 V298 R303 Q304 V305 | F171-C301 HydrophobicContact CD1-CB 3.97Å; F171-C301 HydrophobicContact CE1-CB 3.61Å; F171-C301 HydrophobicContact CZ-CB 4.15Å; F183-C301 HydrophobicContact CE1-CB 3.49Å; F183-C301 VanDerWaalsContact CE1-CB 3.49Å; F183-C301 HydrophobicContact CE2-CB 4.35Å; F183-C301 HydrophobicContact CZ-CB 3.33Å; L296-C301 VanDerWaalsContact CB-SG 3.57Å; R297-C301 PolarHBondContact O-N 2.98Å; R297-C301 PolarHBondContact O-SG 3.04Å; V298-C301 PolarHBondContact O-N 3.28Å; C301-R303 PolarHBondContact O-N 3.46Å; C301-Q304 WeakPolarHBondContact O-CB 3.34Å; C301-Q304 PolarHBondContact O-N 3.46Å; C301-Q304 VanDerWaalsContact O-N 3.11Å; C301-V305 WeakPolarHBondContact O-CG2 3.44Å; C301-V305 PolarHBondContact O-N 3.19Å |
| 302 | L | 98.2 | Very high | 92.9 | Very high | 27 Ų | 27 | 74.7 Ų | 74.7 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.5 | -78.8 | 170.9 | 0 | 0 | 0 | 112.5 | F183 E186 V298 Q304 V305 F306 | F183-L302 HydrophobicContact CD1-CD2 3.69Å; F183-L302 HydrophobicContact CD1-CG 3.84Å; F183-L302 HydrophobicContact CE1-CD2 4.45Å; F183-L302 HydrophobicContact CE1-CG 4.13Å; E186-L302 HydrophobicContact CB-CD2 3.76Å; E186-L302 HydrophobicContact CG-CD1 3.99Å; E186-L302 HydrophobicContact CG-CD2 3.87Å; V298-L302 HydrophobicContact CG1-CD1 3.97Å; V298-L302 HydrophobicContact CG1-CG 4.34Å; V298-L302 PolarHBondContact O-N 3.43Å; L302-Q304 VanDerWaalsContact C-N 3.28Å; L302-Q304 PolarHBondContact O-N 3.06Å; L302-V305 PolarHBondContact O-N 3.03Å; L302-F306 HydrophobicContact CD2-CE2 3.98Å; L302-F306 VanDerWaalsContact O-CD2 3.23Å; L302-F306 WeakPolarHBondContact O-CD2 3.37Å; L302-F306 PolarHBondContact O-N 2.96Å |
| 303 | R | 97.9 | Very high | 93.9 | Very high | 150 Ų | 150 | 74.8 Ų | 74.8 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.5 | -42.8 | 174.2 | -79.8 | -174.2 | -68.3 | -96.2 | -3 | 111.4 | S299 S300 C301 R307 | S299-R303 WeakPolarHBondContact O-CG 3.5Å; S299-R303 PolarHBondContact O-N 3.02Å; S299-R303 VanDerWaalsContact O-N 3.1Å; S299-R303 PolarHBondContact O-NE 3.43Å; S299-R303 PolarHBondContact OG-NH2 3.18Å; S300-R303 PolarHBondContact O-N 3.28Å; S300-R303 PolarHBondContact OG-NH2 3.39Å; C301-R303 PolarHBondContact O-N 3.46Å; R303-R307 WeakPolarHBondContact O-CB 3.45Å; R303-R307 PolarHBondContact O-N 3.04Å |
| 304 | Q | 97.4 | Very high | 94.6 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -49.1 | 177 | -173.3 | 178 | -11.6 | 0 | 0 | 111.3 | V169 M170 S300 C301 L302 F306 R307 T308 | V169-Q304 HydrophobicContact CG1-CG 4.05Å; M170-Q304 PolarHBondContact O-NE2 3.48Å; S300-Q304 PolarHBondContact O-N 3.41Å; S300-Q304 VanDerWaalsContact O-N 3.07Å; C301-Q304 WeakPolarHBondContact O-CB 3.34Å; C301-Q304 PolarHBondContact O-N 3.46Å; C301-Q304 VanDerWaalsContact O-N 3.11Å; L302-Q304 VanDerWaalsContact C-N 3.28Å; L302-Q304 PolarHBondContact O-N 3.06Å; Q304-F306 PolarHBondContact O-N 3.08Å; Q304-R307 PolarHBondContact O-N 3.13Å; Q304-T308 PolarHBondContact O-N 3.16Å; Q304-T308 PolarHBondContact O-OG1 3.25Å; Q304-T308 VanDerWaalsContact O-OG1 3.05Å |
| 305 | V | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.3 | -54.1 | 176.5 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | V169 F171 I187 C301 L302 R307 T308 L309 L360 | V169-V305 HydrophobicContact CG1-CG2 3.98Å; F171-V305 HydrophobicContact CE1-CG2 3.89Å; F171-V305 HydrophobicContact CZ-CG2 3.75Å; I187-V305 HydrophobicContact CD1-CG1 4.12Å; I187-V305 HydrophobicContact CG1-CG1 4.22Å; C301-V305 WeakPolarHBondContact O-CG2 3.44Å; C301-V305 PolarHBondContact O-N 3.19Å; L302-V305 PolarHBondContact O-N 3.03Å; V305-R307 PolarHBondContact O-N 3.14Å; V305-T308 PolarHBondContact O-N 2.61Å; V305-L309 HydrophobicContact CG1-CD1 3.77Å; V305-L309 HydrophobicContact CG1-CG 4.41Å; V305-L309 WeakPolarHBondContact O-CB 3.15Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.14Å; V305-L309 PolarHBondContact O-N 2.89Å; V305-L360 HydrophobicContact CG2-CD2 4.02Å |
| 306 | F | 97.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.263 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.8 | -30.2 | -176.8 | -72.8 | -59.5 | 0 | 0 | 0 | 113.6 | E186 C190 L302 Q304 L309 F310 | E186-F306 HydrophobicContact CB-CE2 3.82Å; E186-F306 HydrophobicContact CB-CZ 3.76Å; C190-F306 HydrophobicContact CB-CE1 3.53Å; C190-F306 HydrophobicContact CB-CZ 4.03Å; L302-F306 HydrophobicContact CD2-CE2 3.98Å; L302-F306 VanDerWaalsContact O-CD2 3.23Å; L302-F306 WeakPolarHBondContact O-CD2 3.37Å; L302-F306 PolarHBondContact O-N 2.96Å; Q304-F306 PolarHBondContact O-N 3.08Å; F306-L309 HydrophobicContact CD1-CD1 3.94Å; F306-L309 HydrophobicContact CE1-CD1 4.18Å; F306-F310 WeakPolarHBondContact O-CB 3.34Å; F306-F310 PolarHBondContact O-N 2.88Å |
| 307 | R | 96.2 | Very high | 93.1 | Very high | 164 Ų | 164 | 60.8 Ų | 60.8 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.3 | -48.8 | 170.8 | -173.2 | -171.5 | 73.3 | 153.7 | 7.2 | 110.3 | R303 Q304 V305 F310 V311 | R303-R307 WeakPolarHBondContact O-CB 3.45Å; R303-R307 PolarHBondContact O-N 3.04Å; Q304-R307 PolarHBondContact O-N 3.13Å; V305-R307 PolarHBondContact O-N 3.14Å; R307-F310 PolarHBondContact O-N 3.14Å; R307-V311 WeakPolarHBondContact O-CG2 3.32Å; R307-V311 PolarHBondContact O-N 3.12Å |
| 308 | T | 95.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 56 Ų | 56 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | T157 V167 V169 Q304 V305 F310 V311 A312 | T157-T308 HydrophobicContact CG2-CG2 4.02Å; V167-T308 HydrophobicContact CG2-CG2 3.47Å; V167-T308 VanDerWaalsContact CG2-CG2 3.47Å; V169-T308 HydrophobicContact CG2-CG2 4.15Å; Q304-T308 PolarHBondContact O-N 3.16Å; Q304-T308 PolarHBondContact O-OG1 3.25Å; Q304-T308 VanDerWaalsContact O-OG1 3.05Å; V305-T308 PolarHBondContact O-N 2.61Å; T308-F310 VanDerWaalsContact C-N 3.3Å; T308-F310 PolarHBondContact O-N 2.99Å; T308-V311 PolarHBondContact O-N 3.15Å; T308-A312 WeakPolarHBondContact O-CB 3.49Å; T308-A312 PolarHBondContact O-N 3.24Å |
| 309 | L | 94.9 | Very high | 90.1 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 175.3 | -72.7 | 171.1 | 0 | 0 | 0 | 113 | V167 V305 F306 D313 L314 I358 | V167-L309 HydrophobicContact CG1-CD2 3.75Å; V305-L309 HydrophobicContact CG1-CD1 3.77Å; V305-L309 HydrophobicContact CG1-CG 4.41Å; V305-L309 WeakPolarHBondContact O-CB 3.15Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.14Å; V305-L309 PolarHBondContact O-N 2.89Å; F306-L309 HydrophobicContact CD1-CD1 3.94Å; F306-L309 HydrophobicContact CE1-CD1 4.18Å; L309-D313 PolarHBondContact O-N 3.28Å; L309-D313 VanDerWaalsContact O-N 3.11Å; L309-L314 HydrophobicContact CD2-CB 4.43Å; L309-L314 HydrophobicContact CD2-CD2 3.89Å; L309-I358 HydrophobicContact CD1-CD1 4.27Å; L309-I358 HydrophobicContact CD2-CD1 3.72Å; L309-I358 HydrophobicContact CD2-CG1 3.86Å; L309-I358 HydrophobicContact CD2-CG2 4.33Å |
| 310 | F | 93.8 | Very high | 88.7 | Confident | 173 Ų | 173 | 62.9 Ų | 62.9 | 76% | 0.759 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.7 | -47.4 | 177.3 | 177.8 | -97 | 0 | 0 | 0 | 111.5 | F306 R307 T308 A312 D313 | F306-F310 WeakPolarHBondContact O-CB 3.34Å; F306-F310 PolarHBondContact O-N 2.88Å; R307-F310 PolarHBondContact O-N 3.14Å; T308-F310 VanDerWaalsContact C-N 3.3Å; T308-F310 PolarHBondContact O-N 2.99Å; F310-A312 VanDerWaalsContact C-N 3.32Å; F310-A312 PolarHBondContact O-N 3.33Å; F310-D313 PolarHBondContact O-N 2.97Å |
| 311 | V | 93.9 | Very high | 87.7 | Confident | 40 Ų | 40 | 61 Ų | 61 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | D154 R307 T308 D313 | D154-V311 HydrophobicContact CB-CG1 3.66Å; R307-V311 WeakPolarHBondContact O-CG2 3.32Å; R307-V311 PolarHBondContact O-N 3.12Å; T308-V311 PolarHBondContact O-N 3.15Å; V311-D313 PolarHBondContact O-N 3.16Å |
| 312 | A | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -18.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T157 L158 A161 V167 T308 F310 L314 | T157-A312 HydrophobicContact CG2-CB 3.93Å; L158-A312 WeakPolarHBondContact CD1-O 3.36Å; A161-A312 HydrophobicContact CB-CB 3.75Å; A161-A312 WeakPolarHBondContact CB-O 3.49Å; V167-A312 HydrophobicContact CB-CB 4.34Å; V167-A312 HydrophobicContact CG2-CB 3.83Å; T308-A312 WeakPolarHBondContact O-CB 3.49Å; T308-A312 PolarHBondContact O-N 3.24Å; F310-A312 VanDerWaalsContact C-N 3.32Å; F310-A312 PolarHBondContact O-N 3.33Å; A312-L314 HydrophobicContact CB-CB 4.29Å; A312-L314 PolarHBondContact O-N 3.26Å |
| 313 | D | 90.9 | Very high | 86.6 | Confident | 57 Ų | 57 | 73 Ų | 73 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 25 | -176.4 | -158.8 | 38.2 | 0 | 0 | 0 | 113 | L158 R162 L309 F310 V311 L315 S316 | L158-D313 HydrophobicContact CD1-CB 3.69Å; R162-D313 IonicContact NH2-OD2 2.74Å; R162-D313 PolarHBondContact NH2-OD2 2.99Å; L309-D313 PolarHBondContact O-N 3.28Å; L309-D313 VanDerWaalsContact O-N 3.11Å; F310-D313 PolarHBondContact O-N 2.97Å; V311-D313 PolarHBondContact O-N 3.16Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 3.44Å; D313-S316 PolarHBondContact O-N 3.43Å; D313-S316 WeakPolarHBondContact OD1-CB 3.38Å; D313-S316 PolarHBondContact OD1-OG 2.81Å |
| 314 | L | 90 | Very high | 86.4 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.4 | -166.3 | -172.9 | 72.1 | 0 | 0 | 0 | 113 | A161 V167 L309 A312 Q356 I358 | A161-L314 HydrophobicContact CB-CD1 3.98Å; V167-L314 HydrophobicContact CB-CD2 4.35Å; V167-L314 HydrophobicContact CG1-CD2 3.77Å; L309-L314 HydrophobicContact CD2-CB 4.43Å; L309-L314 HydrophobicContact CD2-CD2 3.89Å; A312-L314 HydrophobicContact CB-CB 4.29Å; A312-L314 PolarHBondContact O-N 3.26Å; L314-Q356 HydrophobicContact CD1-CB 4.36Å; L314-Q356 HydrophobicContact CD2-CB 4.4Å; L314-Q356 HydrophobicContact CG-CB 4.32Å; L314-Q356 PolarHBondContact O-NE2 3.36Å; L314-Q356 VanDerWaalsContact O-NE2 3.08Å; L314-I358 HydrophobicContact CD2-CD1 4.49Å; L314-I358 HydrophobicContact CD2-CG1 3.84Å |
| 315 | L | 87.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -9.6 | -175.2 | -54.6 | -174.5 | 0 | 0 | 0 | 113.2 | I191 Q194 R195 Y280 D313 D317 | I191-L315 HydrophobicContact CG1-CD1 4.03Å; I191-L315 HydrophobicContact CG1-CD2 3.92Å; Q194-L315 HydrophobicContact CB-CB 4.16Å; Q194-L315 HydrophobicContact CG-CB 4.32Å; Q194-L315 HydrophobicContact CG-CD1 4.33Å; R195-L315 PolarHBondContact NH1-O 3.37Å; Y280-L315 HydrophobicContact CD1-CD2 3.94Å; Y280-L315 HydrophobicContact CE1-CD2 3.49Å; Y280-L315 VanDerWaalsContact CE1-CD2 3.49Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 3.44Å; L315-D317 VanDerWaalsContact C-N 3.34Å; L315-D317 PolarHBondContact O-N 3.1Å; L315-D317 VanDerWaalsContact O-N 3.12Å |
| 316 | S | 77.4 | Confident | 86.3 | Confident | 66 Ų | 66 | 66 Ų | 66 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | trans | -88.2 | 61.9 | -174.2 | -50.1 | 0 | 0 | 0 | 0 | 111.9 | D313 A318 | D313-S316 PolarHBondContact O-N 3.43Å; D313-S316 WeakPolarHBondContact OD1-CB 3.38Å; D313-S316 PolarHBondContact OD1-OG 2.81Å; S316-A318 PolarHBondContact O-N 3.47Å | ||
| 317 | D | 70.9 | Confident | 86.3 | Confident | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -72.4 | 129.6 | 165.3 | -167.4 | -12.2 | 0 | 0 | 0 | 109.1 | R195 L315 K319 | R195-D317 VanDerWaalsContact NH2-CB 3.33Å; R195-D317 IonicContact NH2-OD2 3.42Å; L315-D317 VanDerWaalsContact C-N 3.34Å; L315-D317 PolarHBondContact O-N 3.1Å; L315-D317 VanDerWaalsContact O-N 3.12Å; D317-K319 PolarHBondContact O-N 3.23Å; D317-K319 PolarHBondContact OD1-N 2.95Å | ||
| 318 | A | 56.3 | Low | 86.4 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -66 | -16.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | S316 P320 | S316-A318 PolarHBondContact O-N 3.47Å; A318-P320 WeakPolarHBondContact O-CD 3.48Å |
| 319 | K | 72.9 | Confident | 86.5 | Confident | 154 Ų | 154 | 55.4 Ų | 55.4 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -86.4 | 116 | 177.1 | -68.8 | 177.9 | -175.6 | 170.8 | 0 | 110.4 | D317 V321 | D317-K319 PolarHBondContact O-N 3.23Å; D317-K319 PolarHBondContact OD1-N 2.95Å; K319-V321 PolarHBondContact O-N 2.6Å |
| 320 | P | 67.5 | Low | 86.7 | Confident | 90 Ų | 90 | 55 Ų | 55 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 126 | 173.5 | 24.3 | -31.8 | 0 | 0 | 0 | 109.5 | A318 | A318-P320 WeakPolarHBondContact O-CD 3.48Š|
| 321 | V | 74.3 | Confident | 86.9 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 129.8 | 172.3 | -161.8 | 0 | 0 | 0 | 0 | 107.1 | R195 E278 K319 | R195-V321 HydrophobicContact CB-CG2 4.14Å; E278-V321 WeakPolarHBondContact OE1-CG2 3.35Å; K319-V321 PolarHBondContact O-N 2.6Å |
| 322 | R | 84.3 | Confident | 87.1 | Confident | 201 Ų | 201 | 45.6 Ų | 45.6 | 76% | 0.758 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 150.2 | 167.6 | -59.3 | -175.6 | -158.4 | 162.3 | 5.3 | 108.5 | Q197 T324 | Q197-R322 PolarHBondContact NE2-O 2.96Å; R322-T324 VanDerWaalsContact O-CG2 3.29Å; R322-T324 WeakPolarHBondContact O-CG2 3.4Å; R322-T324 PolarHBondContact O-N 3.32Å; R322-T324 VanDerWaalsContact O-N 3.07Å |
| 323 | L | 90.4 | Very high | 87.4 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 41% | 0.414 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -53.4 | 120.9 | 170.9 | -61 | 175.8 | 0 | 0 | 0 | 109.3 | Q196 | Q196-L323 VanDerWaalsContact O-CD2 3.28Å; Q196-L323 WeakPolarHBondContact O-CD2 3.29Å |
| 324 | T | 93 | Very high | 87.6 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | trans | -135.1 | 163.7 | -175 | 54 | 0 | 0 | 0 | 0 | 110.5 | Q197 K277 R322 G395 | Q197-T324 PolarHBondContact OE1-O 3.37Å; Q197-T324 PolarHBondContact OE1-OG1 3.25Å; K277-T324 HydrophobicContact CD-CG2 4.24Å; R322-T324 VanDerWaalsContact O-CG2 3.29Å; R322-T324 WeakPolarHBondContact O-CG2 3.4Å; R322-T324 PolarHBondContact O-N 3.32Å; R322-T324 VanDerWaalsContact O-N 3.07Å; T324-G395 PolarHBondContact O-N 2.91Å | ||
| 325 | A | 94.9 | Very high | 87.9 | Confident | 37 Ų | 37 | 57 Ų | 57 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 135 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G270 I393 | G270-A325 PolarHBondContact N-O 2.91Å; A325-I393 CarbonylContact C-O 3.55Å; A325-I393 WeakPolarHBondContact CA-O 3.36Å |
| 326 | T | 97.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.2 | 173.3 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | L188 L192 L268 L269 T392 I393 | L188-T326 HydrophobicContact CD1-CG2 4.42Å; L192-T326 HydrophobicContact CD2-CG2 4.17Å; L192-T326 WeakPolarHBondContact CD2-OG1 3.39Å; L268-T326 CarbonylContact O-C 3.43Å; L268-T326 WeakPolarHBondContact O-CA 3.44Å; L269-T326 HydrophobicContact CD1-CG2 4Å; L269-T326 HydrophobicContact CG-CG2 4.27Å; T326-T392 WeakPolarHBondContact O-CA 3.38Å; T326-I393 PolarHBondContact N-O 3.46Å; T326-I393 PolarHBondContact O-N 3.26Å |
| 327 | T | 97.9 | Very high | 89.1 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.1 | 173.8 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | L268 L273 M329 Q388 | L268-T327 PolarHBondContact N-O 3Å; L268-T327 PolarHBondContact O-N 3.29Å; L273-T327 HydrophobicContact CD2-CG2 3.9Å; T327-M329 HydrophobicContact CG2-CG 4.47Å; T327-Q388 HydrophobicContact CG2-CG 3.7Å |
| 328 | V | 98.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.7 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | L188 V249 L253 V265 L267 V330 A389 | L188-V328 HydrophobicContact CD2-CG2 4.23Å; V249-V328 HydrophobicContact CG1-CB 4.38Å; V249-V328 HydrophobicContact CG1-CG2 3.92Å; L253-V328 HydrophobicContact CD2-CG1 4.3Å; V265-V328 HydrophobicContact CG1-CG1 4.22Å; L267-V328 HydrophobicContact CD2-CB 4.44Å; L267-V328 HydrophobicContact CD2-CG1 4.08Å; L267-V328 HydrophobicContact CD2-CG2 3.93Å; V328-V330 HydrophobicContact CG1-CG2 4.18Å; V328-A389 HydrophobicContact CB-CB 4.37Å; V328-A389 PolarHBondContact O-N 3.42Å |
| 329 | M | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.4 | 171.8 | -58 | -173.9 | 61.4 | 0 | 0 | 110.6 | V265 L266 L268 L273 T327 K344 F347 W386 F387 Q388 | V265-M329 CarbonylContact C-O 3.58Å; V265-M329 WeakPolarHBondContact CA-O 3.31Å; V265-M329 WeakPolarHBondContact CG1-O 3.49Å; L266-M329 HydrophobicContact CB-CB 4.23Å; L266-M329 PolarHBondContact N-O 3.21Å; L266-M329 PolarHBondContact O-N 3.26Å; L268-M329 HydrophobicContact CD1-CB 4.35Å; L268-M329 HydrophobicContact CD1-CG 3.81Å; L268-M329 HydrophobicContact CD1-SD 3.92Å; L273-M329 HydrophobicContact CD2-SD 4.05Å; T327-M329 HydrophobicContact CG2-CG 4.47Å; M329-K344 HydrophobicContact CE-CB 4.43Å; M329-K344 HydrophobicContact CE-CG 4.36Å; M329-F347 HydrophobicContact CE-CB 4.21Å; M329-F347 HydrophobicContact CE-CD1 3.48Å; M329-F347 VanDerWaalsContact CE-CD1 3.48Å; M329-F347 HydrophobicContact CE-CD2 3.68Å; M329-F347 HydrophobicContact CE-CE1 3.6Å; M329-F347 HydrophobicContact CE-CE2 3.8Å; M329-F347 HydrophobicContact CE-CG 3.5Å; M329-F347 HydrophobicContact CE-CZ 3.75Å; M329-F347 HydrophobicContact SD-CD1 4.39Å; M329-F347 HydrophobicContact SD-CD2 4.11Å; M329-F347 HydrophobicContact SD-CE1 3.95Å; M329-F347 HydrophobicContact SD-CE2 3.64Å; M329-F347 HydrophobicContact SD-CG 4.45Å; M329-F347 HydrophobicContact SD-CZ 3.54Å; M329-F347 VanDerWaalsContact SD-CZ 3.54Å; M329-W386 HydrophobicContact CB-CE3 4.05Å; M329-W386 HydrophobicContact CB-CZ3 4.45Å; M329-W386 HydrophobicContact CE-CB 3.86Å; M329-W386 HydrophobicContact CE-CG 4.42Å; M329-F387 CarbonylContact C-O 3.5Å; M329-F387 WeakPolarHBondContact CA-O 3.43Å; M329-Q388 HydrophobicContact CE-CB 4.39Å; M329-Q388 HydrophobicContact CG-CB 4.23Å; M329-Q388 HydrophobicContact CG-CG 4.02Å |
| 330 | V | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.2 | -173 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | L253 L256 V262 V265 V328 F341 F387 | L253-V330 HydrophobicContact CD2-CG2 3.6Å; L256-V330 HydrophobicContact CD1-CB 4Å; L256-V330 HydrophobicContact CD1-CG1 3.95Å; L256-V330 HydrophobicContact CD1-CG2 4.37Å; L256-V330 HydrophobicContact CD2-CG1 3.62Å; L256-V330 HydrophobicContact CG-CG1 4.47Å; V262-V330 HydrophobicContact CB-CG1 4.31Å; V262-V330 HydrophobicContact CG1-CG1 3.39Å; V262-V330 HydrophobicContact CG2-CG1 3.91Å; V265-V330 HydrophobicContact CG1-CG2 4.42Å; V265-V330 HydrophobicContact CG2-CG1 4.27Å; V328-V330 HydrophobicContact CG1-CG2 4.18Å; V330-F341 HydrophobicContact CG2-CE1 3.87Å; V330-F341 HydrophobicContact CG2-CZ 4.18Å; V330-F387 PolarHBondContact N-O 3.37Å; V330-F387 WeakPolarHBondContact O-CB 3.49Å; V330-F387 PolarHBondContact O-N 3.48Å |
| 331 | L | 98.4 | Very high | 94.8 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120.8 | 172.6 | -172.7 | 59.1 | 0 | 0 | 0 | 107.8 | P263 R264 Y384 W386 | P263-L331 WeakPolarHBondContact CD-O 3.39Å; P263-L331 HydrophobicContact CG-CB 4.17Å; P263-L331 HydrophobicContact CG-CD2 3.8Å; P263-L331 HydrophobicContact CG-CG 3.89Å; R264-L331 HydrophobicContact CB-CB 4.15Å; R264-L331 HydrophobicContact CB-CD2 4.26Å; R264-L331 PolarHBondContact O-N 3.08Å; L331-Y384 HydrophobicContact CG-CD1 4.43Å; L331-W386 HydrophobicContact CB-CD2 4.25Å; L331-W386 HydrophobicContact CB-CE3 3.94Å; L331-W386 HydrophobicContact CB-CH2 3.88Å; L331-W386 HydrophobicContact CB-CZ2 4.18Å; L331-W386 HydrophobicContact CB-CZ3 3.74Å; L331-W386 HydrophobicContact CD1-CD2 4.11Å; L331-W386 HydrophobicContact CD1-CG 4.27Å; L331-W386 HydrophobicContact CD2-CZ2 4.25Å |
| 332 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 163.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | L256 R334 Y384 V385 F387 | L256-A332 HydrophobicContact CD2-CB 4Å; A332-R334 PolarHBondContact O-N 3.18Å; A332-Y384 VanDerWaalsContact CA-CD1 3.46Å; A332-Y384 CarbonylContact O-C 3.5Å; A332-Y384 VanDerWaalsContact O-CA 3.26Å; A332-Y384 WeakPolarHBondContact O-CA 3.45Å; A332-V385 PolarHBondContact N-O 3.3Å; A332-V385 PolarHBondContact O-N 3.47Å; A332-F387 HydrophobicContact CB-CD2 3.86Å; A332-F387 HydrophobicContact CB-CE2 4.04Å |
| 333 | H | 97.3 | Very high | 96.6 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 133.8 | 178.8 | -169.1 | -86.8 | 0 | 0 | 0 | 110.5 | S260 D335 C336 Y384 | S260-H333 WeakPolarHBondContact OG-CB 3.46Å; S260-H333 PolarHBondContact OG-N 3.44Å; H333-D335 IonicContact CE1-OD2 3.64Å; H333-D335 PolarHBondContact ND1-N 3.3Å; H333-D335 VanDerWaalsContact ND1-N 3.14Å; H333-D335 PolarHBondContact O-N 3.15Å; H333-D335 VanDerWaalsContact O-N 3.15Å; H333-C336 HydrophobicContact CB-CB 4.4Å; H333-C336 WeakPolarHBondContact O-CB 3.24Å; H333-C336 PolarHBondContact O-N 3.36Å; H333-C336 VanDerWaalsContact O-N 3.12Å; H333-C336 PolarHBondContact O-SG 3.46Å; H333-Y384 HydrophobicContact CB-CE1 4.26Å; H333-Y384 HydrophobicContact CB-CE2 4.14Å; H333-Y384 AromaticContact CD2-CE2 3.82Å; H333-Y384 VanDerWaalsContact N-CD1 3.34Å |
| 334 | R | 96.2 | Very high | 96.9 | Very high | 130 Ų | 130 | 42.8 Ų | 42.8 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.3 | -176.4 | 61.4 | 175.4 | 132.7 | -172.3 | -0.7 | 114 | A332 D383 V385 | A332-R334 PolarHBondContact O-N 3.18Å; R334-D383 WeakPolarHBondContact CB-O 3.34Å; R334-D383 VanDerWaalsContact CG-O 3.24Å; R334-D383 WeakPolarHBondContact CG-O 3.47Å; R334-D383 IonicContact CZ-OD1 2.61Å; R334-D383 PolarHBondContact N-O 3.32Å; R334-D383 IonicContact NE-OD1 3.44Å; R334-D383 IonicContact NH2-OD1 3.75Å; R334-D383 PolarHBondContact NH2-OD1 3.08Å; R334-V385 HydrophobicContact CB-CG1 4.18Å; R334-V385 HydrophobicContact CB-CG2 4.08Å |
| 335 | D | 95.5 | Very high | 97 | Very high | 123 Ų | 123 | 48.3 Ų | 48.3 | 66% | 0.658 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 20.1 | -176.7 | -54 | -44.5 | 0 | 0 | 0 | 113.3 | H333 G337 | H333-D335 IonicContact CE1-OD2 3.64Å; H333-D335 PolarHBondContact ND1-N 3.3Å; H333-D335 VanDerWaalsContact ND1-N 3.14Å; H333-D335 PolarHBondContact O-N 3.15Å; H333-D335 VanDerWaalsContact O-N 3.15Å; D335-G337 PolarHBondContact O-N 3.1Å; D335-G337 VanDerWaalsContact O-N 3.11Å |
| 336 | C | 96.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -68.3 | -7.1 | -179.5 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | L259 H333 V338 | L259-C336 HydrophobicContact CB-CB 4.34Å; H333-C336 HydrophobicContact CB-CB 4.4Å; H333-C336 WeakPolarHBondContact O-CB 3.24Å; H333-C336 PolarHBondContact O-N 3.36Å; H333-C336 VanDerWaalsContact O-N 3.12Å; H333-C336 PolarHBondContact O-SG 3.46Å; C336-V338 VanDerWaalsContact C-N 3.27Å; C336-V338 PolarHBondContact O-N 3.4Å; C336-V338 VanDerWaalsContact SG-CG1 3.59Å |
| 337 | G | 94.9 | Very high | 96.8 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | trans | 73.5 | 13 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D335 G339 | D335-G337 PolarHBondContact O-N 3.1Å; D335-G337 VanDerWaalsContact O-N 3.11Å; G337-G339 PolarHBondContact O-N 3.06Å | ||
| 338 | V | 95.8 | Very high | 96.6 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | trans | -66.1 | 119.2 | 177.3 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | L256 L259 C336 F341 F387 | L256-V338 HydrophobicContact CB-CG2 4.22Å; L256-V338 HydrophobicContact CD1-CG1 4.5Å; L256-V338 HydrophobicContact CD1-CG2 4.3Å; L256-V338 HydrophobicContact CG-CG2 4.33Å; L259-V338 HydrophobicContact CD1-CB 4.26Å; C336-V338 VanDerWaalsContact C-N 3.27Å; C336-V338 PolarHBondContact O-N 3.4Å; C336-V338 VanDerWaalsContact SG-CG1 3.59Å; V338-F341 HydrophobicContact CG1-CB 4.37Å; V338-F341 HydrophobicContact CG2-CB 4.38Å; V338-F341 HydrophobicContact CG2-CD2 4.08Å; V338-F387 HydrophobicContact CG1-CD1 3.63Å; V338-F387 HydrophobicContact CG1-CE1 3.49Å; V338-F387 VanDerWaalsContact CG1-CE1 3.49Å; V338-F387 HydrophobicContact CG1-CG 4.28Å; V338-F387 HydrophobicContact CG1-CZ 4.03Å | ||
| 339 | G | 95.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -90.7 | -25.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | G337 R342 | G337-G339 PolarHBondContact O-N 3.06Å; G339-R342 PolarHBondContact O-NH1 3.44Å |
| 340 | W | 98.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -85.5 | -47.1 | -171.7 | -173 | 86.7 | 0 | 0 | 0 | 113 | Q248 V249 Q252 A389 P390 L391 | Q248-W340 HydrophobicContact CG-CZ2 3.86Å; Q248-W340 VanDerWaalsContact NE2-NE1 3.2Å; V249-W340 HydrophobicContact CG2-CH2 3.93Å; Q252-W340 HydrophobicContact CB-CD2 3.86Å; Q252-W340 HydrophobicContact CB-CE3 3.44Å; Q252-W340 VanDerWaalsContact CB-CE3 3.44Å; Q252-W340 HydrophobicContact CB-CG 4.44Å; Q252-W340 HydrophobicContact CB-CH2 4.27Å; Q252-W340 HydrophobicContact CB-CZ3 3.67Å; Q252-W340 HydrophobicContact CG-CB 4.37Å; Q252-W340 HydrophobicContact CG-CD2 3.48Å; Q252-W340 VanDerWaalsContact CG-CD2 3.48Å; Q252-W340 HydrophobicContact CG-CE3 3.66Å; Q252-W340 HydrophobicContact CG-CG 3.81Å; Q252-W340 HydrophobicContact CG-CH2 4.28Å; Q252-W340 HydrophobicContact CG-CZ2 4.16Å; Q252-W340 HydrophobicContact CG-CZ3 4.05Å; W340-A389 HydrophobicContact CH2-CB 3.98Å; W340-A389 HydrophobicContact CZ3-CB 3.78Å; W340-P390 HydrophobicContact CD2-CG 3.86Å; W340-P390 HydrophobicContact CE3-CG 4.22Å; W340-P390 HydrophobicContact CG-CG 4.45Å; W340-P390 HydrophobicContact CH2-CG 4.2Å; W340-P390 HydrophobicContact CZ2-CG 3.8Å; W340-P390 HydrophobicContact CZ3-CG 4.39Å; W340-P390 WeakPolarHBondContact O-CD 3.38Å; W340-P390 WeakPolarHBondContact O-CG 3.21Å; W340-L391 HydrophobicContact CH2-CD2 3.92Å; W340-L391 HydrophobicContact CH2-CG 3.88Å; W340-L391 HydrophobicContact CZ2-CD2 3.47Å; W340-L391 VanDerWaalsContact CZ2-CD2 3.47Å; W340-L391 HydrophobicContact CZ2-CG 3.85Å |
| 341 | F | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -69.1 | 146.7 | 172.2 | -75.4 | -97.4 | 0 | 0 | 0 | 111 | Q252 L253 L256 V330 V338 F387 Q388 A389 | Q252-F341 HydrophobicContact CB-CE2 3.86Å; L253-F341 HydrophobicContact CD2-CZ 3.95Å; L253-F341 HydrophobicContact CG-CZ 4.29Å; L256-F341 HydrophobicContact CB-CD2 4.4Å; L256-F341 HydrophobicContact CB-CE2 4.28Å; L256-F341 HydrophobicContact CD1-CB 4.45Å; L256-F341 HydrophobicContact CD1-CD1 4.4Å; L256-F341 HydrophobicContact CD1-CD2 3.6Å; L256-F341 HydrophobicContact CD1-CE2 3.88Å; L256-F341 HydrophobicContact CD1-CG 3.91Å; L256-F341 HydrophobicContact CD1-CZ 4.42Å; V330-F341 HydrophobicContact CG2-CE1 3.87Å; V330-F341 HydrophobicContact CG2-CZ 4.18Å; V338-F341 HydrophobicContact CG1-CB 4.37Å; V338-F341 HydrophobicContact CG2-CB 4.38Å; V338-F341 HydrophobicContact CG2-CD2 4.08Å; F341-F387 HydrophobicContact CB-CB 3.8Å; F341-F387 HydrophobicContact CB-CD1 4.04Å; F341-F387 HydrophobicContact CB-CG 4.33Å; F341-F387 HydrophobicContact CD1-CB 4.31Å; F341-F387 HydrophobicContact CG-CB 4.34Å; F341-Q388 VanDerWaalsContact CD1-C 3.46Å; F341-A389 HydrophobicContact CD1-CB 4.25Å; F341-A389 VanDerWaalsContact CD1-N 3.34Å; F341-A389 HydrophobicContact CE1-CB 3.83Å |
| 342 | R | 98 | Very high | 95.4 | Very high | 143 Ų | 143 | 81 Ų | 81 | 54% | 0.54 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.6 | -178.9 | -57.9 | -54.2 | -172.7 | -169.6 | 0.3 | 110.6 | G339 F387 Q388 P390 | G339-R342 PolarHBondContact O-NH1 3.44Å; R342-F387 CarbonylContact O-C 3.58Å; R342-F387 WeakPolarHBondContact O-CA 3.43Å; R342-Q388 PolarHBondContact N-O 3.37Å; R342-Q388 PolarHBondContact O-N 2.88Å; R342-P390 HydrophobicContact CG-CB 4.37Å |
| 343 | P | 97.7 | Very high | 94.9 | Very high | 73 Ų | 73 | 82.2 Ų | 82.2 | 47% | 0.474 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 143.5 | 177.2 | 27.2 | -33.7 | 0 | 0 | 0 | 110.9 | W386 F387 | P343-W386 CarbonylContact C-O 3.59Å; P343-W386 WeakPolarHBondContact CA-O 3.26Å; P343-F387 HydrophobicContact CB-CD1 4.14Å; P343-F387 HydrophobicContact CB-CE1 3.82Å; P343-F387 HydrophobicContact CB-CZ 4.34Å; P343-F387 HydrophobicContact CG-CE1 4.36Å |
| 344 | K | 97.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 85.3 Ų | 85.3 | 36% | 0.357 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 77.2 | 179.1 | -64.9 | -59.7 | -171.5 | -175.1 | 0 | 109.2 | M329 D346 F347 W386 Q388 | M329-K344 HydrophobicContact CE-CB 4.43Å; M329-K344 HydrophobicContact CE-CG 4.36Å; K344-D346 PolarHBondContact O-N 3Å; K344-F347 HydrophobicContact CB-CB 3.7Å; K344-F347 WeakPolarHBondContact O-CB 3.38Å; K344-F347 PolarHBondContact O-N 2.97Å; K344-F347 VanDerWaalsContact O-N 3.12Å; K344-W386 HydrophobicContact CB-CB 4.49Å; K344-W386 PolarHBondContact N-O 3.43Å; K344-Q388 HydrophobicContact CG-CB 3.98Å |
| 345 | L | 93.6 | Very high | 94.3 | Very high | 132 Ų | 132 | 80.4 Ų | 80.4 | 69% | 0.691 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -34.1 | -174.1 | -57.3 | 179.9 | 0 | 0 | 0 | 113.1 | V385 | L345-V385 HydrophobicContact CD2-CB 4.04Å; L345-V385 HydrophobicContact CD2-CG1 3.72Å; L345-V385 HydrophobicContact CD2-CG2 4.26Å |
| 346 | D | 93.6 | Very high | 94.3 | Very high | 158 Ų | 158 | 76.4 Ų | 76.4 | 85% | 0.845 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.4 | -178.2 | -53.9 | -52.6 | 0 | 0 | 0 | 113.8 | K344 K348 | K344-D346 PolarHBondContact O-N 3Å; D346-K348 PolarHBondContact O-N 3.11Å |
| 347 | F | 95.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 77 Ų | 77 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | trans | -71.9 | 133.9 | -177.9 | 176.6 | -94.4 | 0 | 0 | 0 | 111.2 | L266 L273 M329 K344 V349 W386 | L266-F347 HydrophobicContact CD1-CE1 3.76Å; L266-F347 HydrophobicContact CD1-CZ 4.01Å; L273-F347 HydrophobicContact CB-CE2 4.14Å; M329-F347 HydrophobicContact CE-CB 4.21Å; M329-F347 HydrophobicContact CE-CD1 3.48Å; M329-F347 VanDerWaalsContact CE-CD1 3.48Å; M329-F347 HydrophobicContact CE-CD2 3.68Å; M329-F347 HydrophobicContact CE-CE1 3.6Å; M329-F347 HydrophobicContact CE-CE2 3.8Å; M329-F347 HydrophobicContact CE-CG 3.5Å; M329-F347 HydrophobicContact CE-CZ 3.75Å; M329-F347 HydrophobicContact SD-CD1 4.39Å; M329-F347 HydrophobicContact SD-CD2 4.11Å; M329-F347 HydrophobicContact SD-CE1 3.95Å; M329-F347 HydrophobicContact SD-CE2 3.64Å; M329-F347 HydrophobicContact SD-CG 4.45Å; M329-F347 HydrophobicContact SD-CZ 3.54Å; M329-F347 VanDerWaalsContact SD-CZ 3.54Å; K344-F347 HydrophobicContact CB-CB 3.7Å; K344-F347 WeakPolarHBondContact O-CB 3.38Å; K344-F347 PolarHBondContact O-N 2.97Å; K344-F347 VanDerWaalsContact O-N 3.12Å; F347-V349 HydrophobicContact CE1-CG2 4.41Å; F347-W386 HydrophobicContact CB-CB 4.34Å; F347-W386 HydrophobicContact CD1-CB 3.87Å; F347-W386 AromaticContact CD1-CD1 3.52Å; F347-W386 HydrophobicContact CD1-CD2 4.08Å; F347-W386 AromaticContact CD1-CG 3.53Å; F347-W386 HydrophobicContact CD1-CG 3.53Å; F347-W386 AromaticContact CD1-NE1 4Å; F347-W386 HydrophobicContact CE1-CD2 4.16Å; F347-W386 HydrophobicContact CE1-CG 4.09Å; F347-W386 HydrophobicContact CG-CB 4.46Å | ||
| 348 | K | 94.1 | Very high | 94.4 | Very high | 171 Ų | 171 | 73.8 Ų | 73.8 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | trans | -121.7 | 138.1 | 172.1 | -62.7 | -175.8 | -179.5 | -178.1 | 0 | 108.5 | D346 | D346-K348 PolarHBondContact O-N 3.11Š| ||
| 349 | V | 94.2 | Very high | 94.5 | Very high | 37 Ų | 37 | 74.4 Ų | 74.4 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | trans | -57.3 | 128.4 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | L266 L279 F347 T351 W386 | L266-V349 HydrophobicContact CD1-CG1 4.29Å; L266-V349 HydrophobicContact CD1-CG2 4.14Å; L279-V349 HydrophobicContact CD2-CG1 4.13Å; F347-V349 HydrophobicContact CE1-CG2 4.41Å; V349-T351 PolarHBondContact O-N 3.45Å; V349-W386 HydrophobicContact CG2-CZ2 3.75Å | ||
| 350 | P | 93 | Very high | 94.7 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 8% | 0.078 | 35% | 0.349 | C | S | . | . | trans | -58.6 | 122.7 | 178.2 | -27.8 | 36.6 | 0 | 0 | 0 | 112.1 | L273 P276 L279 | L273-P350 WeakPolarHBondContact O-CG 3.43Å; P276-P350 HydrophobicContact CG-CB 4.39Å; P276-P350 HydrophobicContact CG-CG 4.19Å; L279-P350 HydrophobicContact CD2-CB 4.4Å | ||
| 351 | T | 90.8 | Very high | 94.6 | Very high | 136 Ų | 136 | 70.1 Ų | 70.1 | 83% | 0.834 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -99.6 | -10.9 | 178 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | V349 V353 | V349-T351 PolarHBondContact O-N 3.45Å; T351-V353 VanDerWaalsContact C-N 3.34Å |
| 352 | R | 89.1 | Confident | 94.3 | Very high | 223 Ų | 223 | 70.4 Ų | 70.4 | 84% | 0.842 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -85.4 | -9.4 | -178.9 | -62 | -175.6 | -178.6 | -146.7 | 0.4 | 113.4 | L275 | L275-R352 HydrophobicContact CD1-CB 4.12Š|
| 353 | V | 88.5 | Confident | 93.8 | Very high | 25 Ų | 25 | 65 Ų | 65 | 15% | 0.152 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -111.9 | 135.2 | -179.1 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | L275 P276 L279 T351 S355 | L275-V353 HydrophobicContact CD1-CG2 3.83Å; P276-V353 HydrophobicContact CG-CB 4.44Å; P276-V353 HydrophobicContact CG-CG1 4.43Å; P276-V353 HydrophobicContact CG-CG2 4.13Å; P276-V353 WeakPolarHBondContact O-CG2 3.32Å; L279-V353 HydrophobicContact CB-CG1 4.41Å; T351-V353 VanDerWaalsContact C-N 3.34Å; V353-S355 PolarHBondContact O-N 3.24Å |
| 354 | K | 88.5 | Confident | 92.6 | Very high | 117 Ų | 117 | 65.8 Ų | 65.8 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | trans | -63 | 118.9 | 173.8 | -177.4 | 170.8 | 175.3 | 168.3 | 0 | 108.2 | R162 E163 | R162-K354 PolarHBondContact O-NZ 3.2Å; E163-K354 PolarHBondContact O-NZ 3.48Å | ||
| 355 | S | 91.9 | Very high | 91.5 | Very high | 26 Ų | 26 | 65.7 Ų | 65.7 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.7 | 176.7 | -168.5 | 0 | 0 | 0 | 0 | 109.5 | L279 V353 | L279-S355 WeakPolarHBondContact O-CA 3.17Å; V353-S355 PolarHBondContact O-N 3.24Å |
| 356 | Q | 94.8 | Very high | 90.1 | Very high | 39 Ų | 39 | 67.8 Ų | 67.8 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 105.7 | 168.7 | -60.7 | -67.3 | 73.8 | 0 | 0 | 108.2 | G165 L279 Y280 E281 L314 | G165-Q356 CarbonylContact O-C 3.15Å; G165-Q356 WeakPolarHBondContact O-CA 3.43Å; G165-Q356 PolarHBondContact O-OE1 2.82Å; L279-Q356 PolarHBondContact O-N 3.02Å; Y280-Q356 WeakPolarHBondContact CA-O 3.26Å; Y280-Q356 HydrophobicContact CD1-CB 3.54Å; Y280-Q356 HydrophobicContact CD1-CG 4.18Å; Y280-Q356 HydrophobicContact CE1-CB 3.74Å; Y280-Q356 HydrophobicContact CE1-CG 3.88Å; Y280-Q356 HydrophobicContact CG-CB 4.42Å; E281-Q356 PolarHBondContact N-O 3.21Å; L314-Q356 HydrophobicContact CD1-CB 4.36Å; L314-Q356 HydrophobicContact CD2-CB 4.4Å; L314-Q356 HydrophobicContact CG-CB 4.32Å; L314-Q356 PolarHBondContact O-NE2 3.36Å; L314-Q356 VanDerWaalsContact O-NE2 3.08Å |
| 357 | V | 96.7 | Very high | 88.6 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.6 | -171.2 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | G165 S166 V167 E281 N283 | G165-V357 PolarHBondContact O-N 3.26Å; S166-V357 CarbonylContact C-O 3.53Å; S166-V357 VanDerWaalsContact CA-O 3.31Å; S166-V357 WeakPolarHBondContact CA-O 3.48Å; V167-V357 PolarHBondContact N-O 2.98Å; E281-V357 HydrophobicContact CB-CG1 4.46Å; E281-V357 HydrophobicContact CB-CG2 4.28Å; E281-V357 HydrophobicContact CG-CG1 4.44Å; E281-V357 CarbonylContact O-C 3.59Å; E281-V357 WeakPolarHBondContact O-CA 3.41Å; N283-V357 HydrophobicContact CB-CG1 4.42Å |
| 358 | I | 97.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 96.6 | 174.2 | -53.3 | 171.5 | 0 | 0 | 0 | 106.9 | V167 I187 E281 N283 L309 L314 L360 | V167-I358 HydrophobicContact CG1-CB 4.14Å; V167-I358 HydrophobicContact CG1-CG1 4Å; V167-I358 HydrophobicContact CG1-CG2 4.01Å; I187-I358 HydrophobicContact CD1-CD1 4.47Å; I187-I358 HydrophobicContact CD1-CG2 4.41Å; I187-I358 HydrophobicContact CG2-CD1 3.85Å; E281-I358 PolarHBondContact O-N 3.5Å; N283-I358 PolarHBondContact N-O 3.43Å; L309-I358 HydrophobicContact CD1-CD1 4.27Å; L309-I358 HydrophobicContact CD2-CD1 3.72Å; L309-I358 HydrophobicContact CD2-CG1 3.86Å; L309-I358 HydrophobicContact CD2-CG2 4.33Å; L314-I358 HydrophobicContact CD2-CD1 4.49Å; L314-I358 HydrophobicContact CD2-CG1 3.84Å; I358-L360 HydrophobicContact CG2-CD2 3.95Å |
| 359 | S | 97.9 | Very high | 84.5 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 121 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | V167 E168 V169 | V167-S359 PolarHBondContact O-N 3.04Å; E168-S359 CarbonylContact C-O 3.54Å; E168-S359 WeakPolarHBondContact CA-O 3.28Å; V169-S359 PolarHBondContact N-O 3.49Å |
| 360 | L | 98.1 | Very high | 82.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.1 | 176.3 | -53.2 | -172.9 | 0 | 0 | 0 | 108.5 | V169 F171 F183 V282 N283 M284 V287 V305 I358 | V169-L360 HydrophobicContact CB-CD2 3.79Å; V169-L360 HydrophobicContact CG1-CD2 4.48Å; V169-L360 HydrophobicContact CG2-CD2 4.07Å; F171-L360 HydrophobicContact CE2-CB 4.06Å; F171-L360 HydrophobicContact CE2-CD1 4.49Å; F171-L360 HydrophobicContact CZ-CD2 4.29Å; F183-L360 HydrophobicContact CB-CD1 4.2Å; F183-L360 HydrophobicContact CD2-CD1 3.95Å; F183-L360 HydrophobicContact CG-CD1 4.45Å; V282-L360 HydrophobicContact CG1-CD1 4.07Å; V282-L360 HydrophobicContact CG1-CG 4.42Å; N283-L360 PolarHBondContact O-N 3.43Å; M284-L360 HydrophobicContact CG-CB 4.22Å; M284-L360 HydrophobicContact CG-CD1 3.93Å; M284-L360 HydrophobicContact CG-CG 4.33Å; M284-L360 HydrophobicContact SD-CD1 4.36Å; V287-L360 HydrophobicContact CG2-CB 3.78Å; V287-L360 VanDerWaalsContact CG2-O 3.28Å; V287-L360 WeakPolarHBondContact CG2-O 3.27Å; V305-L360 HydrophobicContact CG2-CD2 4.02Å; I358-L360 HydrophobicContact CG2-CD2 3.95Å |
| 361 | S | 96 | Very high | 80.1 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 8% | 0.077 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 163.2 | -179.8 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | V169 F171 | V169-S361 PolarHBondContact O-N 3.39Å; F171-S361 WeakPolarHBondContact CD2-O 3.46Å; F171-S361 PolarHBondContact N-O 2.87Å |
| 362 | C | 93.3 | Very high | 78.2 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.2 | 171.2 | -67.9 | 0 | 0 | 0 | 0 | 109.8 | G173 D286 I288 P364 | G173-C362 PolarHBondContact O-SG 3.11Å; D286-C362 PolarHBondContact O-N 3.43Å; I288-C362 HydrophobicContact CB-CB 4.05Å; I288-C362 HydrophobicContact CD1-CB 4.1Å; I288-C362 HydrophobicContact CG1-CB 4Å; I288-C362 PolarHBondContact N-SG 3.12Å; C362-P364 WeakPolarHBondContact O-CD 3.47Å; C362-P364 VanDerWaalsContact O-N 3.15Å |
| 363 | D | 87.3 | Confident | 76 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | trans | -66 | 109.1 | 176 | 178.9 | -4 | 0 | 0 | 0 | 110.7 | M170 F171 S365 R366 V367 | M170-D363 HydrophobicContact CG-CB 4.13Å; M170-D363 HydrophobicContact SD-CB 4.04Å; F171-D363 PolarHBondContact O-N 3.15Å; D363-S365 VanDerWaalsContact C-N 3.26Å; D363-S365 VanDerWaalsContact CG-OG 3.26Å; D363-S365 PolarHBondContact O-N 2.62Å; D363-S365 VanDerWaalsContact OD1-CB 3.32Å; D363-S365 WeakPolarHBondContact OD1-CB 3.44Å; D363-S365 PolarHBondContact OD1-N 3.25Å; D363-S365 PolarHBondContact OD1-OG 2.64Å; D363-S365 PolarHBondContact OD2-OG 3.06Å; D363-R366 PolarHBondContact O-N 2.99Å; D363-R366 VanDerWaalsContact OD2-CD 3.22Å; D363-R366 WeakPolarHBondContact OD2-CD 3.22Å; D363-R366 WeakPolarHBondContact OD2-CG 3.48Å; D363-R366 IonicContact OD2-NE 2.84Å; D363-R366 PolarHBondContact OD2-NE 2.89Å; D363-V367 VanDerWaalsContact O-CG2 3.26Å; D363-V367 WeakPolarHBondContact O-CG2 3.36Å | ||
| 364 | P | 73.3 | Confident | 73.9 | Confident | 91 Ų | 91 | 66 Ų | 66 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -68.7 | -26.5 | -175.6 | 28.9 | -34 | 0 | 0 | 0 | 112.1 | C362 R366 V367 | C362-P364 WeakPolarHBondContact O-CD 3.47Å; C362-P364 VanDerWaalsContact O-N 3.15Å; P364-R366 PolarHBondContact O-N 2.97Å; P364-V367 PolarHBondContact O-N 3.12Å; P364-V367 VanDerWaalsContact O-N 3.12Å |
| 365 | S | 72.7 | Confident | 71.6 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 56% | 0.559 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -65.4 | -31.2 | -178.2 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | D363 S368 | D363-S365 VanDerWaalsContact C-N 3.26Å; D363-S365 VanDerWaalsContact CG-OG 3.26Å; D363-S365 PolarHBondContact O-N 2.62Å; D363-S365 VanDerWaalsContact OD1-CB 3.32Å; D363-S365 WeakPolarHBondContact OD1-CB 3.44Å; D363-S365 PolarHBondContact OD1-N 3.25Å; D363-S365 PolarHBondContact OD1-OG 2.64Å; D363-S365 PolarHBondContact OD2-OG 3.06Å; S365-S368 PolarHBondContact O-OG 3.31Å |
| 366 | R | 64.9 | Low | 69.2 | Low | 176 Ų | 176 | 63.7 Ų | 63.7 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -87.8 | -5.7 | 178.6 | -66.8 | -178.8 | 174.4 | -154.5 | -4.1 | 113.7 | D363 P364 | D363-R366 PolarHBondContact O-N 2.99Å; D363-R366 VanDerWaalsContact OD2-CD 3.22Å; D363-R366 WeakPolarHBondContact OD2-CD 3.22Å; D363-R366 WeakPolarHBondContact OD2-CG 3.48Å; D363-R366 IonicContact OD2-NE 2.84Å; D363-R366 PolarHBondContact OD2-NE 2.89Å; P364-R366 PolarHBondContact O-N 2.97Å |
| 367 | V | 61 | Low | 66.9 | Low | 21 Ų | 21 | 65.7 Ų | 65.7 | 13% | 0.127 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -99.3 | -0.8 | -177.7 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | L174 I288 D363 P364 G369 S370 | L174-V367 HydrophobicContact CD2-CB 4.35Å; L174-V367 HydrophobicContact CD2-CG1 3.7Å; L174-V367 HydrophobicContact CD2-CG2 3.59Å; L174-V367 HydrophobicContact CG-CG1 4.47Å; L174-V367 HydrophobicContact CG-CG2 4.28Å; I288-V367 HydrophobicContact CD1-CG1 4.31Å; I288-V367 HydrophobicContact CD1-CG2 4.43Å; I288-V367 HydrophobicContact CG2-CG1 4.49Å; D363-V367 VanDerWaalsContact O-CG2 3.26Å; D363-V367 WeakPolarHBondContact O-CG2 3.36Å; P364-V367 PolarHBondContact O-N 3.12Å; P364-V367 VanDerWaalsContact O-N 3.12Å; V367-G369 PolarHBondContact O-N 2.81Å; V367-S370 PolarHBondContact O-N 3.35Å |
| 368 | S | 51.3 | Low | 64.4 | Low | 107 Ų | 107 | 72.4 Ų | 72.4 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.1 | 93.2 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | S365 | S365-S368 PolarHBondContact O-OG 3.31Š|
| 369 | G | 53.1 | Low | 62.5 | Low | 76 Ų | 76 | 77 Ų | 77 | 78% | 0.784 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 149.2 | -15.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | V367 | V367-G369 PolarHBondContact O-N 2.81Š|
| 370 | S | 48.8 | Very low | 61.5 | Low | 63 Ų | 63 | 78.1 Ų | 78.1 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -98.4 | 123.1 | 166.7 | -166 | 0 | 0 | 0 | 0 | 108.7 | V367 V372 | V367-S370 PolarHBondContact O-N 3.35Å; S370-V372 PolarHBondContact O-N 3.1Å |
| 371 | G | 46.3 | Very low | 61.1 | Low | 80 Ų | 80 | 81.3 Ų | 81.3 | 83% | 0.825 | 53% | 0.532 | S | S | * | . | trans | -68.5 | 57.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S373 | G371-S373 PolarHBondContact O-N 3.5Å; G371-S373 VanDerWaalsContact O-N 3.15Å | ||
| 372 | V | 50.6 | Low | 60.8 | Low | 85 Ų | 85 | 86.3 Ų | 86.3 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | trans | -69.3 | 109.9 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | I288 S370 E374 | I288-V372 HydrophobicContact CG2-CG2 4.22Å; S370-V372 PolarHBondContact O-N 3.1Å; V372-E374 PolarHBondContact O-N 2.85Å; V372-E374 VanDerWaalsContact O-N 3.12Å | ||
| 373 | S | 44 | Very low | 60.8 | Low | 109 Ų | 109 | 89.2 Ų | 89.2 | 76% | 0.762 | 57% | 0.569 | S | S | * | * | trans | -60.4 | 114.8 | 175.2 | -69.1 | 0 | 0 | 0 | 0 | 109.1 | G371 G375 | G371-S373 PolarHBondContact O-N 3.5Å; G371-S373 VanDerWaalsContact O-N 3.15Å; S373-G375 VanDerWaalsContact C-N 3.25Å; S373-G375 PolarHBondContact O-N 3.25Å | ||
| 374 | E | 44.2 | Very low | 61.3 | Low | 207 Ų | 207 | 89.5 Ų | 89.5 | 97% | 0.967 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -60.4 | 88.6 | 161.4 | -71.1 | -177.8 | 144.6 | 0 | 0 | 108.2 | V372 | V372-E374 PolarHBondContact O-N 2.85Å; V372-E374 VanDerWaalsContact O-N 3.12Å |
| 375 | G | 39.1 | Very low | 62.4 | Low | 67 Ų | 67 | 86.4 Ų | 86.4 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | trans | 174.5 | 53.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S373 | S373-G375 VanDerWaalsContact C-N 3.25Å; S373-G375 PolarHBondContact O-N 3.25Å | ||
| 376 | G | 42.7 | Very low | 63.6 | Low | 29 Ų | 29 | 83.7 Ų | 83.7 | 30% | 0.299 | 53% | 0.525 | S | S | . | . | trans | -151 | 10.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q378 A380 | G376-Q378 PolarHBondContact O-N 2.96Å; G376-A380 WeakPolarHBondContact O-CB 3.32Å | ||
| 377 | G | 46 | Very low | 65.2 | Low | 81 Ų | 81 | 75.7 Ų | 75.7 | 84% | 0.835 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 8.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 378 | Q | 44.4 | Very low | 67 | Low | 170 Ų | 170 | 76.1 Ų | 76.1 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.2 | -30.4 | 168.1 | -112 | 163.4 | 84.9 | 0 | 0 | 110.4 | G376 Q382 | G376-Q378 PolarHBondContact O-N 2.96Å; Q378-Q382 PolarHBondContact O-NE2 2.73Å |
| 379 | T | 58.3 | Low | 69.2 | Low | 98 Ų | 98 | 71 Ų | 71 | 60% | 0.601 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -79.1 | -21.4 | -173.7 | 42 | 0 | 0 | 0 | 0 | 116 | W381 Q382 | T379-W381 PolarHBondContact O-N 3.4Å; T379-W381 VanDerWaalsContact O-N 3.16Å; T379-Q382 PolarHBondContact O-OE1 3.21Å |
| 380 | A | 76.4 | Confident | 71.3 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -65 | -23.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G376 | G376-A380 WeakPolarHBondContact O-CB 3.32Š|
| 381 | W | 88.6 | Confident | 73.5 | Confident | 69 Ų | 69 | 69 Ų | 69 | 26% | 0.261 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -116.2 | 13.8 | -170.9 | -48.1 | 117.7 | 0 | 0 | 0 | 114.3 | L261 P263 T379 D383 Y384 | L261-W381 HydrophobicContact CB-CH2 4.34Å; L261-W381 HydrophobicContact CB-CZ3 4.14Å; L261-W381 HydrophobicContact CD1-CH2 4.31Å; L261-W381 HydrophobicContact CD1-CZ3 4.46Å; P263-W381 HydrophobicContact CB-CD2 4Å; P263-W381 HydrophobicContact CB-CE3 4.09Å; P263-W381 HydrophobicContact CB-CH2 4.06Å; P263-W381 HydrophobicContact CB-CZ2 3.95Å; P263-W381 HydrophobicContact CB-CZ3 4.12Å; P263-W381 HydrophobicContact CG-CD2 3.95Å; P263-W381 HydrophobicContact CG-CE3 3.68Å; P263-W381 HydrophobicContact CG-CH2 4.33Å; P263-W381 HydrophobicContact CG-CZ3 3.88Å; T379-W381 PolarHBondContact O-N 3.4Å; T379-W381 VanDerWaalsContact O-N 3.16Å; W381-D383 PolarHBondContact O-N 2.8Å; W381-Y384 HydrophobicContact CB-CD2 4.32Å; W381-Y384 HydrophobicContact CB-CG 4.43Å; W381-Y384 AromaticContact CE3-CD1 3.77Å; W381-Y384 HydrophobicContact CE3-CD1 3.77Å; W381-Y384 AromaticContact CE3-CD2 3.78Å; W381-Y384 HydrophobicContact CE3-CD2 3.78Å; W381-Y384 AromaticContact CE3-CE1 3.5Å; W381-Y384 HydrophobicContact CE3-CE1 3.5Å; W381-Y384 VanDerWaalsContact CE3-CE1 3.5Å; W381-Y384 AromaticContact CE3-CE2 3.5Å; W381-Y384 HydrophobicContact CE3-CE2 3.5Å; W381-Y384 VanDerWaalsContact CE3-CE2 3.5Å; W381-Y384 AromaticContact CE3-CG 3.94Å; W381-Y384 HydrophobicContact CE3-CG 3.94Å; W381-Y384 AromaticContact CE3-CZ 3.37Å; W381-Y384 HydrophobicContact CZ3-CD1 4.21Å; W381-Y384 AromaticContact CZ3-CE1 3.5Å; W381-Y384 HydrophobicContact CZ3-CE1 3.5Å; W381-Y384 AromaticContact CZ3-CE2 3.95Å; W381-Y384 HydrophobicContact CZ3-CE2 3.95Å; W381-Y384 AromaticContact CZ3-CZ 3.37Å; W381-Y384 WeakPolarHBondContact CZ3-OH 3.36Å; W381-Y384 WeakPolarHBondContact O-CB 3.45Å; W381-Y384 PolarHBondContact O-N 3.48Å |
| 382 | Q | 89.6 | Confident | 75.9 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 55% | 0.547 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35.6 | 178.1 | -99.1 | 84.4 | 76.4 | 0 | 0 | 113.6 | Q378 T379 Y384 | Q378-Q382 PolarHBondContact O-NE2 2.73Å; T379-Q382 PolarHBondContact O-OE1 3.21Å; Q382-Y384 PolarHBondContact O-N 3.43Å |
| 383 | D | 94.6 | Very high | 78.1 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 8.5 | -173.7 | -59.7 | -25.2 | 0 | 0 | 0 | 112 | R334 W381 | R334-D383 WeakPolarHBondContact CB-O 3.34Å; R334-D383 VanDerWaalsContact CG-O 3.24Å; R334-D383 WeakPolarHBondContact CG-O 3.47Å; R334-D383 IonicContact CZ-OD1 2.61Å; R334-D383 PolarHBondContact N-O 3.32Å; R334-D383 IonicContact NE-OD1 3.44Å; R334-D383 IonicContact NH2-OD1 3.75Å; R334-D383 PolarHBondContact NH2-OD1 3.08Å; W381-D383 PolarHBondContact O-N 2.8Å |
| 384 | Y | 96.6 | Very high | 80.5 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 14% | 0.137 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.1 | -176.4 | -74.2 | -119.2 | 0 | 0 | 0 | 110.6 | L261 P263 L331 A332 H333 W381 Q382 | L261-Y384 HydrophobicContact CB-CE1 4.5Å; L261-Y384 WeakPolarHBondContact O-CE1 3.4Å; P263-Y384 HydrophobicContact CG-CD1 3.9Å; P263-Y384 HydrophobicContact CG-CE1 4.23Å; L331-Y384 HydrophobicContact CG-CD1 4.43Å; A332-Y384 VanDerWaalsContact CA-CD1 3.46Å; A332-Y384 CarbonylContact O-C 3.5Å; A332-Y384 VanDerWaalsContact O-CA 3.26Å; A332-Y384 WeakPolarHBondContact O-CA 3.45Å; H333-Y384 HydrophobicContact CB-CE1 4.26Å; H333-Y384 HydrophobicContact CB-CE2 4.14Å; H333-Y384 AromaticContact CD2-CE2 3.82Å; H333-Y384 VanDerWaalsContact N-CD1 3.34Å; W381-Y384 HydrophobicContact CB-CD2 4.32Å; W381-Y384 HydrophobicContact CB-CG 4.43Å; W381-Y384 AromaticContact CE3-CD1 3.77Å; W381-Y384 HydrophobicContact CE3-CD1 3.77Å; W381-Y384 AromaticContact CE3-CD2 3.78Å; W381-Y384 HydrophobicContact CE3-CD2 3.78Å; W381-Y384 AromaticContact CE3-CE1 3.5Å; W381-Y384 HydrophobicContact CE3-CE1 3.5Å; W381-Y384 VanDerWaalsContact CE3-CE1 3.5Å; W381-Y384 AromaticContact CE3-CE2 3.5Å; W381-Y384 HydrophobicContact CE3-CE2 3.5Å; W381-Y384 VanDerWaalsContact CE3-CE2 3.5Å; W381-Y384 AromaticContact CE3-CG 3.94Å; W381-Y384 HydrophobicContact CE3-CG 3.94Å; W381-Y384 AromaticContact CE3-CZ 3.37Å; W381-Y384 HydrophobicContact CZ3-CD1 4.21Å; W381-Y384 AromaticContact CZ3-CE1 3.5Å; W381-Y384 HydrophobicContact CZ3-CE1 3.5Å; W381-Y384 AromaticContact CZ3-CE2 3.95Å; W381-Y384 HydrophobicContact CZ3-CE2 3.95Å; W381-Y384 AromaticContact CZ3-CZ 3.37Å; W381-Y384 WeakPolarHBondContact CZ3-OH 3.36Å; W381-Y384 WeakPolarHBondContact O-CB 3.45Å; W381-Y384 PolarHBondContact O-N 3.48Å; Q382-Y384 PolarHBondContact O-N 3.43Å |
| 385 | V | 97.6 | Very high | 82.8 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.1 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | A332 R334 L345 F387 | A332-V385 PolarHBondContact N-O 3.3Å; A332-V385 PolarHBondContact O-N 3.47Å; R334-V385 HydrophobicContact CB-CG1 4.18Å; R334-V385 HydrophobicContact CB-CG2 4.08Å; L345-V385 HydrophobicContact CD2-CB 4.04Å; L345-V385 HydrophobicContact CD2-CG1 3.72Å; L345-V385 HydrophobicContact CD2-CG2 4.26Å; V385-F387 HydrophobicContact CG2-CD2 4.05Å; V385-F387 HydrophobicContact CG2-CE2 3.4Å; V385-F387 VanDerWaalsContact CG2-CE2 3.4Å; V385-F387 HydrophobicContact CG2-CZ 3.8Å; V385-F387 VanDerWaalsContact O-CD2 3.23Å; V385-F387 WeakPolarHBondContact O-CD2 3.27Å |
| 386 | W | 98.3 | Very high | 85.3 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.2 | 177.6 | -73.9 | 101.9 | 0 | 0 | 0 | 111 | R264 L266 M329 L331 P343 K344 F347 V349 | R264-W386 HydrophobicContact CB-CH2 3.77Å; R264-W386 HydrophobicContact CB-CZ2 4.49Å; L266-W386 HydrophobicContact CD1-CE3 4.23Å; L266-W386 HydrophobicContact CD1-CH2 3.64Å; L266-W386 HydrophobicContact CD1-CZ2 3.97Å; L266-W386 HydrophobicContact CD1-CZ3 3.79Å; L266-W386 HydrophobicContact CD2-CH2 4.03Å; L266-W386 HydrophobicContact CG-CE3 4.46Å; L266-W386 HydrophobicContact CG-CH2 3.5Å; L266-W386 VanDerWaalsContact CG-CH2 3.5Å; L266-W386 HydrophobicContact CG-CZ2 4.3Å; L266-W386 HydrophobicContact CG-CZ3 3.6Å; M329-W386 HydrophobicContact CB-CE3 4.05Å; M329-W386 HydrophobicContact CB-CZ3 4.45Å; M329-W386 HydrophobicContact CE-CB 3.86Å; M329-W386 HydrophobicContact CE-CG 4.42Å; L331-W386 HydrophobicContact CB-CD2 4.25Å; L331-W386 HydrophobicContact CB-CE3 3.94Å; L331-W386 HydrophobicContact CB-CH2 3.88Å; L331-W386 HydrophobicContact CB-CZ2 4.18Å; L331-W386 HydrophobicContact CB-CZ3 3.74Å; L331-W386 HydrophobicContact CD1-CD2 4.11Å; L331-W386 HydrophobicContact CD1-CG 4.27Å; L331-W386 HydrophobicContact CD2-CZ2 4.25Å; P343-W386 CarbonylContact C-O 3.59Å; P343-W386 WeakPolarHBondContact CA-O 3.26Å; K344-W386 HydrophobicContact CB-CB 4.49Å; K344-W386 PolarHBondContact N-O 3.43Å; F347-W386 HydrophobicContact CB-CB 4.34Å; F347-W386 HydrophobicContact CD1-CB 3.87Å; F347-W386 AromaticContact CD1-CD1 3.52Å; F347-W386 HydrophobicContact CD1-CD2 4.08Å; F347-W386 AromaticContact CD1-CG 3.53Å; F347-W386 HydrophobicContact CD1-CG 3.53Å; F347-W386 AromaticContact CD1-NE1 4Å; F347-W386 HydrophobicContact CE1-CD2 4.16Å; F347-W386 HydrophobicContact CE1-CG 4.09Å; F347-W386 HydrophobicContact CG-CB 4.46Å; V349-W386 HydrophobicContact CG2-CZ2 3.75Å |
| 387 | F | 98.5 | Very high | 87.2 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.2 | 176.1 | -78.8 | -86.2 | 0 | 0 | 0 | 109.1 | M329 V330 A332 V338 F341 R342 P343 V385 | M329-F387 CarbonylContact C-O 3.5Å; M329-F387 WeakPolarHBondContact CA-O 3.43Å; V330-F387 PolarHBondContact N-O 3.37Å; V330-F387 WeakPolarHBondContact O-CB 3.49Å; V330-F387 PolarHBondContact O-N 3.48Å; A332-F387 HydrophobicContact CB-CD2 3.86Å; A332-F387 HydrophobicContact CB-CE2 4.04Å; V338-F387 HydrophobicContact CG1-CD1 3.63Å; V338-F387 HydrophobicContact CG1-CE1 3.49Å; V338-F387 VanDerWaalsContact CG1-CE1 3.49Å; V338-F387 HydrophobicContact CG1-CG 4.28Å; V338-F387 HydrophobicContact CG1-CZ 4.03Å; F341-F387 HydrophobicContact CB-CB 3.8Å; F341-F387 HydrophobicContact CB-CD1 4.04Å; F341-F387 HydrophobicContact CB-CG 4.33Å; F341-F387 HydrophobicContact CD1-CB 4.31Å; F341-F387 HydrophobicContact CG-CB 4.34Å; R342-F387 CarbonylContact O-C 3.58Å; R342-F387 WeakPolarHBondContact O-CA 3.43Å; P343-F387 HydrophobicContact CB-CD1 4.14Å; P343-F387 HydrophobicContact CB-CE1 3.82Å; P343-F387 HydrophobicContact CB-CZ 4.34Å; P343-F387 HydrophobicContact CG-CE1 4.36Å; V385-F387 HydrophobicContact CG2-CD2 4.05Å; V385-F387 HydrophobicContact CG2-CE2 3.4Å; V385-F387 VanDerWaalsContact CG2-CE2 3.4Å; V385-F387 HydrophobicContact CG2-CZ 3.8Å; V385-F387 VanDerWaalsContact O-CD2 3.23Å; V385-F387 WeakPolarHBondContact O-CD2 3.27Å |
| 388 | Q | 98.4 | Very high | 88.4 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.8 | 179.9 | -170.2 | -161.2 | -34.6 | 0 | 0 | 110.7 | T327 M329 F341 R342 K344 | T327-Q388 HydrophobicContact CG2-CG 3.7Å; M329-Q388 HydrophobicContact CE-CB 4.39Å; M329-Q388 HydrophobicContact CG-CB 4.23Å; M329-Q388 HydrophobicContact CG-CG 4.02Å; F341-Q388 VanDerWaalsContact CD1-C 3.46Å; R342-Q388 PolarHBondContact N-O 3.37Å; R342-Q388 PolarHBondContact O-N 2.88Å; K344-Q388 HydrophobicContact CG-CB 3.98Å |
| 389 | A | 98.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -60 | 132.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V328 W340 F341 L391 | V328-A389 HydrophobicContact CB-CB 4.37Å; V328-A389 PolarHBondContact O-N 3.42Å; W340-A389 HydrophobicContact CH2-CB 3.98Å; W340-A389 HydrophobicContact CZ3-CB 3.78Å; F341-A389 HydrophobicContact CD1-CB 4.25Å; F341-A389 VanDerWaalsContact CD1-N 3.34Å; F341-A389 HydrophobicContact CE1-CB 3.83Å; A389-L391 PolarHBondContact O-N 3.2Å | ||
| 390 | P | 96.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -71.2 | -13.4 | 178.8 | 30.6 | -36.7 | 0 | 0 | 0 | 112.9 | W340 R342 | W340-P390 HydrophobicContact CD2-CG 3.86Å; W340-P390 HydrophobicContact CE3-CG 4.22Å; W340-P390 HydrophobicContact CG-CG 4.45Å; W340-P390 HydrophobicContact CH2-CG 4.2Å; W340-P390 HydrophobicContact CZ2-CG 3.8Å; W340-P390 HydrophobicContact CZ3-CG 4.39Å; W340-P390 WeakPolarHBondContact O-CD 3.38Å; W340-P390 WeakPolarHBondContact O-CG 3.21Å; R342-P390 HydrophobicContact CG-CB 4.37Å |
| 391 | L | 94.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -114.4 | 158 | 176.8 | 74.9 | 80.1 | 0 | 0 | 0 | 111.3 | D245 Q248 V249 W340 A389 I393 | D245-L391 HydrophobicContact CB-CD1 3.88Å; Q248-L391 HydrophobicContact CB-CD2 4.14Å; Q248-L391 HydrophobicContact CG-CD2 4.02Å; V249-L391 HydrophobicContact CG2-CD1 3.41Å; V249-L391 VanDerWaalsContact CG2-CD1 3.41Å; V249-L391 HydrophobicContact CG2-CD2 4.42Å; V249-L391 HydrophobicContact CG2-CG 3.98Å; W340-L391 HydrophobicContact CH2-CD2 3.92Å; W340-L391 HydrophobicContact CH2-CG 3.88Å; W340-L391 HydrophobicContact CZ2-CD2 3.47Å; W340-L391 VanDerWaalsContact CZ2-CD2 3.47Å; W340-L391 HydrophobicContact CZ2-CG 3.85Å; A389-L391 PolarHBondContact O-N 3.2Å; L391-I393 HydrophobicContact CD1-CG1 4.36Å |
| 392 | T | 95.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | trans | -120.2 | 134.2 | 176.9 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | T326 K394 | T326-T392 WeakPolarHBondContact O-CA 3.38Å; T392-K394 PolarHBondContact O-N 3.44Å | ||
| 393 | I | 97.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 115.2 | 177.5 | -59.1 | 152.2 | 0 | 0 | 0 | 108 | L188 L192 T242 L246 V249 A325 T326 L391 | L188-I393 HydrophobicContact CD2-CD1 4.3Å; L192-I393 HydrophobicContact CD1-CD1 4.39Å; L192-I393 HydrophobicContact CD1-CG2 4.18Å; L192-I393 HydrophobicContact CD2-CG2 4.46Å; T242-I393 HydrophobicContact CG2-CG2 3.94Å; L246-I393 HydrophobicContact CB-CG1 4.45Å; L246-I393 HydrophobicContact CB-CG2 4.37Å; L246-I393 HydrophobicContact CD1-CD1 3.8Å; V249-I393 HydrophobicContact CB-CD1 4.31Å; V249-I393 HydrophobicContact CG1-CD1 4.33Å; V249-I393 HydrophobicContact CG2-CD1 4.16Å; V249-I393 HydrophobicContact CG2-CG1 4.26Å; A325-I393 CarbonylContact C-O 3.55Å; A325-I393 WeakPolarHBondContact CA-O 3.36Å; T326-I393 PolarHBondContact N-O 3.46Å; T326-I393 PolarHBondContact O-N 3.26Å; L391-I393 HydrophobicContact CD1-CG1 4.36Å |
| 394 | K | 95.6 | Very high | 93.6 | Very high | 131 Ų | 131 | 45.2 Ų | 45.2 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.9 | -178.9 | -68.2 | -179.2 | -179.5 | 175.9 | 0 | 110.4 | T242 T392 | T242-K394 WeakPolarHBondContact CG2-O 3.46Å; T242-K394 PolarHBondContact OG1-O 3.4Å; T242-K394 VanDerWaalsContact OG1-O 3.11Å; T392-K394 PolarHBondContact O-N 3.44Å |
| 395 | G | 91.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | trans | -62.5 | 148.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q197 T324 | Q197-G395 CarbonylContact O-C 3.57Å; Q197-G395 WeakPolarHBondContact O-CA 3.43Å; T324-G395 PolarHBondContact O-N 2.91Å | ||
| 396 | F | 90.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 6% | 0.057 | 25% | 0.246 | C | C | . | . | trans | -138.9 | 153.1 | 173 | 76.5 | -76.8 | 0 | 0 | 0 | 111.5 | Q197 L198 P199 L205 R238 C239 T242 | Q197-F396 PolarHBondContact O-N 2.75Å; L198-F396 HydrophobicContact CD2-CD1 4.27Å; L198-F396 HydrophobicContact CD2-CE1 3.75Å; P199-F396 HydrophobicContact CG-CD2 4.18Å; P199-F396 HydrophobicContact CG-CE1 4.41Å; P199-F396 HydrophobicContact CG-CE2 3.47Å; P199-F396 VanDerWaalsContact CG-CE2 3.47Å; P199-F396 HydrophobicContact CG-CZ 3.61Å; L205-F396 HydrophobicContact CD1-CE1 4.22Å; L205-F396 HydrophobicContact CD1-CZ 4.08Å; L205-F396 HydrophobicContact CD2-CZ 3.94Å; R238-F396 HydrophobicContact CB-CB 4.36Å; C239-F396 HydrophobicContact CB-CD2 4.39Å; C239-F396 HydrophobicContact CB-CE1 4.46Å; C239-F396 HydrophobicContact CB-CE2 3.61Å; C239-F396 HydrophobicContact CB-CZ 3.66Å; T242-F396 HydrophobicContact CG2-CD1 3.92Å; T242-F396 HydrophobicContact CG2-CE1 4.12Å | ||
| 397 | S | 84.5 | Confident | 92.6 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | trans | -115.2 | 163.9 | 171.6 | 67.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 398 | K | 69.7 | Low | 92.1 | Very high | 188 Ų | 188 | 53.3 Ų | 53.3 | 82% | 0.817 | 28% | 0.279 | S | S | * | . | trans | -77.2 | 0 | 164.2 | -74.7 | -178.1 | 177.5 | -178.9 | 0 | 111.5 | P199 | P199-K398 HydrophobicContact CB-CD 4.41Å; P199-K398 HydrophobicContact CB-CG 3.93Å; P199-K398 HydrophobicContact CG-CG 4.33Å |
Retrieved 398 of 398 residues in 1352.3 ms
(Link to these results)