| 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 | 39.5 | Very low | 43.1 | Very low | 247 Ų | 247 | 135.6 Ų | 135.6 | 100% | 1.217 | 84% | 0.838 | S | S | * | * | 0 | 140.5 | 0 | -87.4 | 179.4 | 169.3 | 0 | 0 | 108.3 | |||||
| 2 | A | 39.8 | Very low | 43 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | 79.5 | 110.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | T | 46.7 | Very low | 42.2 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | trans | -51 | 163.8 | 154.6 | 46 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 4 | P | 51.1 | Low | 41.8 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | -147.5 | 176.3 | 104.8 | 35.5 | -18.2 | 0 | 0 | 0 | 111.8 | |||||
| 5 | A | 38.3 | Very low | 41 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | cis | -170.3 | 139.1 | -28.5 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 6 | A | 40.2 | Very low | 40.9 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -74.1 | 146 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | V | 45.3 | Very low | 41 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 87% | 0.873 | 83% | 0.83 | S | S | * | * | trans | -128.8 | 110.4 | 165.1 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 8 | N | 43.5 | Very low | 40.4 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -77 | 156.3 | 168.2 | -90.5 | -48.4 | 0 | 0 | 0 | 110.9 | ||
| 9 | P | 45.5 | Very low | 40.3 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 156.7 | 169.9 | 34.3 | -32.1 | 0 | 0 | 0 | 111.8 | ||
| 10 | P | 47.8 | Very low | 39.8 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 141.1 | 175.6 | 34 | -29.7 | 0 | 0 | 0 | 112.8 | ||
| 11 | E | 36.1 | Very low | 39.4 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84 | 156.8 | 166.8 | -76.9 | -171.5 | 114.2 | 0 | 0 | 112.8 | ||
| 12 | M | 41.6 | Very low | 39.2 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 62.3 | 119.2 | 137.1 | 68.9 | -153.4 | -91.9 | 0 | 0 | 122.8 | ||||
| 13 | A | 32.5 | Very low | 39.1 | Very low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -152 | 134.1 | 133.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | S | 37.3 | Very low | 38.3 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -69.2 | 156.9 | 176.6 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 15 | D | 29.5 | Very low | 37.5 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | -170.9 | 138.9 | 126.4 | -93 | -35.4 | 0 | 0 | 0 | 114 | |||||
| 16 | I | 39.8 | Very low | 37.8 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -108.1 | 139.2 | 174 | -66.9 | 167 | 0 | 0 | 0 | 106.4 | ||||
| 17 | P | 41.9 | Very low | 37.5 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | -150.5 | 172.1 | 95.9 | 31.9 | -9.3 | 0 | 0 | 0 | 112.6 | |||||
| 18 | G | 31.3 | Very low | 36.8 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | 167.7 | 157.9 | 11.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 19 | S | 37.1 | Very low | 36.3 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -79.5 | 148.5 | -175.4 | 68.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 20 | V | 30.9 | Very low | 35.7 | Very low | 128 Ų | 128 | 130 Ų | 130 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -158.3 | 123.8 | 146.6 | -139 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 21 | T | 30.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 52.2 | 137.2 | 138.9 | 56.5 | 0 | 0 | 0 | 0 | 126 | ||||
| 22 | L | 36.1 | Very low | 34.7 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -53.9 | 167.5 | 165.7 | -61 | 163.7 | 0 | 0 | 0 | 115.7 | ||||
| 23 | P | 37 | Very low | 34.2 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -128.5 | 162.3 | 134.4 | 34.9 | -21.4 | 0 | 0 | 0 | 115.1 | ||||
| 24 | V | 30.9 | Very low | 34.2 | Very low | 142 Ų | 142 | 132 Ų | 132 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -82 | 160.5 | -165.5 | 164 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 25 | A | 34.3 | Very low | 33.8 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -57.7 | 179.5 | 174 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 26 | P | 44.9 | Very low | 34.1 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | -135.1 | 135.4 | 121.2 | 34.4 | -21.3 | 0 | 0 | 0 | 115.5 | |||||
| 27 | M | 33.8 | Very low | 33.6 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | 18.3 | 126 | 136.2 | -60.2 | -66.9 | 174.7 | 0 | 0 | 121.1 | ||||
| 28 | A | 30.8 | Very low | 33.1 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | -148.9 | 127.8 | 127.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 29 | A | 32.2 | Very low | 33.6 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 69% | 0.686 | 82% | 0.823 | S | S | * | * | trans | -106.9 | 174.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 30 | T | 32.4 | Very low | 34 | Very low | 151 Ų | 151 | 133 Ų | 133 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | 106.3 | 124.4 | 168.4 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 31 | G | 30.2 | Very low | 34.4 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | cis | -167.6 | 157.8 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 32 | Q | 33 | Very low | 34.8 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | 8.6 | 145.4 | 146 | -72.4 | 173 | -31.7 | 0 | 0 | 118.5 | ||||
| 33 | V | 32.2 | Very low | 34.6 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | -162 | 151.3 | 54.3 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 34 | R | 30.9 | Very low | 34.8 | Very low | 212 Ų | 212 | 131.3 Ų | 131.3 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -43.7 | 152.1 | 167.6 | -60.3 | 164.8 | 163.1 | 158.6 | -6.9 | 116.6 | ||||
| 35 | M | 30.8 | Very low | 35.4 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | 173.2 | 150.6 | 96.7 | -91.3 | -56.1 | -164.7 | 0 | 0 | 113.7 | |||||
| 36 | A | 34.3 | Very low | 36 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 87% | 0.868 | 84% | 0.844 | S | S | * | * | trans | -80.9 | 164.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 37 | G | 29.1 | Very low | 36 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 85% | 0.851 | S | S | * | * | trans | 159.2 | 94.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | A | 31.9 | Very low | 36.4 | Very low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | 75.6 | 115.3 | 88.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 39 | M | 41.3 | Very low | 36.9 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -57.1 | 160.9 | 167.1 | -62.6 | -75.5 | -177.2 | 0 | 0 | 111.6 | ||||
| 40 | P | 46.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | -133.2 | 148.9 | 128.1 | 34.8 | -23 | 0 | 0 | 0 | 113.6 | |||||
| 41 | A | 39.3 | Very low | 38 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -91.7 | 163.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 42 | R | 39.2 | Very low | 38.9 | Very low | 256 Ų | 256 | 152.2 Ų | 152.2 | 97% | 0.966 | 84% | 0.837 | S | S | * | * | trans | 99.8 | 121 | 141 | -153 | 174.6 | -179.1 | 172.4 | -0.5 | 118 | ||||
| 43 | G | 31 | Very low | 39.6 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | -176.5 | 81.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 44 | G | 41.6 | Very low | 40.6 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -79.4 | 146.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 45 | K | 44 | Very low | 41.4 | Very low | 206 Ų | 206 | 148.2 Ų | 148.2 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -135.7 | 105.7 | 157.8 | -160.9 | 141 | 178 | 172.5 | 0 | 108.9 | ||||
| 46 | R | 46.8 | Very low | 42.6 | Very low | 244 Ų | 244 | 147.5 Ų | 147.5 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -66.5 | 131.1 | 169.2 | -60.7 | 173.9 | 106.4 | -176 | 3.9 | 108.1 | ||||
| 47 | R | 44.9 | Very low | 43.4 | Very low | 246 Ų | 246 | 145.9 Ų | 145.9 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | trans | -127 | 113.3 | 145.8 | -103.7 | -175.5 | 175.1 | -172 | -2.4 | 107.3 | ||||
| 48 | S | 43.4 | Very low | 44.5 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -40.1 | 143.1 | 148.7 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 49 | G | 41 | Very low | 45.2 | Very low | 52 Ų | 52 | 146.3 Ų | 146.3 | 54% | 0.536 | 79% | 0.794 | S | S | . | * | cis | 143.8 | 138.6 | 23.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 50 | M | 50.1 | Low | 45.9 | Very low | 174 Ų | 174 | 143 Ų | 143 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | 66.4 | 130.2 | -175.9 | -60.3 | 91.8 | 174 | 0 | 0 | 113.8 | ||||
| 51 | D | 37.7 | Very low | 46.4 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | cis | -133.1 | 137.4 | 42.7 | -69.3 | -64.6 | 0 | 0 | 0 | 113.7 | D53 | D51-D53 PolarHBondContact O-N 2.99Š| ||
| 52 | F | 49.2 | Very low | 47.3 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -75 | 103.5 | 155.3 | -88.7 | -103.5 | 0 | 0 | 0 | 106.3 | ||||
| 53 | D | 46.7 | Very low | 48.1 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -99.4 | 92.1 | 153.9 | -114.2 | -54.8 | 0 | 0 | 0 | 106.3 | D51 E55 | D51-D53 PolarHBondContact O-N 2.99Å; D53-E55 PolarHBondContact O-N 3.03Å | ||
| 54 | D | 54.3 | Low | 49.4 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | -62.2 | 81.8 | 157 | -84.2 | -72.6 | 0 | 0 | 0 | 107.3 | ||||
| 55 | E | 47.7 | Very low | 50.4 | Low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -104.5 | 102.8 | 163.5 | -135 | -172.3 | 124.9 | 0 | 0 | 108.3 | D53 G57 | D53-E55 PolarHBondContact O-N 3.03Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 3.45Å | ||
| 56 | D | 54.6 | Low | 51.4 | Low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -44.2 | 87.6 | 172.6 | -82.9 | -53.1 | 0 | 0 | 0 | 112.3 | ||||
| 57 | G | 50.5 | Low | 52.8 | Low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 70% | 0.7 | S | S | * | * | trans | -107.4 | 46.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E55 G59 | E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 3.45Å; G57-G59 PolarHBondContact O-N 2.89Å | ||
| 58 | E | 52.2 | Low | 54.4 | Low | 153 Ų | 153 | 127.1 Ų | 127.1 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | trans | -65.8 | 73.7 | 163.9 | -78.4 | -157.2 | 140.6 | 0 | 0 | 109.5 | ||||
| 59 | G | 46.7 | Very low | 56.3 | Low | 30 Ų | 30 | 124.7 Ų | 124.7 | 31% | 0.309 | 67% | 0.667 | S | S | . | * | trans | -62.1 | 142.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G57 S61 | G57-G59 PolarHBondContact O-N 2.89Å; G59-S61 PolarHBondContact O-N 3.41Å | ||
| 60 | P | 56 | Low | 58.4 | Low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.5 | 0.3 | 177.8 | 25.4 | -34.1 | 0 | 0 | 0 | 114.1 | S64 | P60-S64 WeakPolarHBondContact O-CB 3.12Å; P60-S64 PolarHBondContact O-N 3.24Å |
| 61 | S | 58.4 | Low | 60.1 | Low | 77 Ų | 77 | 122.3 Ų | 122.3 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -82.5 | -30.2 | -172.5 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | G59 R65 | G59-S61 PolarHBondContact O-N 3.41Å; S61-R65 WeakPolarHBondContact O-CB 3.29Å; S61-R65 WeakPolarHBondContact O-CG 3.2Å; S61-R65 PolarHBondContact O-N 3Å; S61-R65 VanDerWaalsContact O-N 3.11Å |
| 62 | K | 58.1 | Low | 62.7 | Low | 170 Ų | 170 | 116.8 Ų | 116.8 | 74% | 0.739 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.6 | -48.4 | 178.1 | -72.8 | -177.2 | -179.7 | 173.4 | 0 | 111.6 | S64 R65 E66 | K62-S64 VanDerWaalsContact C-N 3.33Å; K62-S64 PolarHBondContact O-N 3.07Å; K62-R65 PolarHBondContact O-N 3.34Å; K62-E66 WeakPolarHBondContact O-CB 3.46Å; K62-E66 PolarHBondContact O-N 3.32Å |
| 63 | F | 54.6 | Low | 64.6 | Low | 130 Ų | 130 | 115.3 Ų | 115.3 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.4 | -37 | 174.4 | -77.6 | -80 | 0 | 0 | 0 | 112.7 | E66 N67 | F63-E66 PolarHBondContact O-N 3.22Å; F63-N67 WeakPolarHBondContact O-CB 3.27Å; F63-N67 PolarHBondContact O-N 3.18Å |
| 64 | S | 59.9 | Low | 66.8 | Low | 78 Ų | 78 | 116.3 Ų | 116.3 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.2 | -40.9 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | P60 K62 E66 N67 H68 | P60-S64 WeakPolarHBondContact O-CB 3.12Å; P60-S64 PolarHBondContact O-N 3.24Å; K62-S64 VanDerWaalsContact C-N 3.33Å; K62-S64 PolarHBondContact O-N 3.07Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 PolarHBondContact O-N 3.21Å; S64-N67 PolarHBondContact O-N 2.95Å; S64-H68 WeakPolarHBondContact O-CB 3.18Å; S64-H68 PolarHBondContact O-N 3.09Å |
| 65 | R | 62.5 | Low | 68.6 | Low | 195 Ų | 195 | 117.3 Ų | 117.3 | 74% | 0.736 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.2 | -37 | 173 | -85.9 | 175 | 75.4 | 166.5 | 1.9 | 112.5 | S61 K62 S69 | S61-R65 WeakPolarHBondContact O-CB 3.29Å; S61-R65 WeakPolarHBondContact O-CG 3.2Å; S61-R65 PolarHBondContact O-N 3Å; S61-R65 VanDerWaalsContact O-N 3.11Å; K62-R65 PolarHBondContact O-N 3.34Å; R65-S69 VanDerWaalsContact O-CB 3.32Å; R65-S69 WeakPolarHBondContact O-CB 3.38Å; R65-S69 PolarHBondContact O-N 3.17Å; R65-S69 PolarHBondContact O-OG 2.94Å |
| 66 | E | 64.8 | Low | 70.8 | Confident | 132 Ų | 132 | 115.7 Ų | 115.7 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.1 | -42.4 | 178.6 | -172.3 | 145.8 | -138.6 | 0 | 0 | 111.7 | K62 F63 S64 H68 S69 E70 | K62-E66 WeakPolarHBondContact O-CB 3.46Å; K62-E66 PolarHBondContact O-N 3.32Å; F63-E66 PolarHBondContact O-N 3.22Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 PolarHBondContact O-N 3.21Å; E66-H68 PolarHBondContact O-N 3.09Å; E66-S69 WeakPolarHBondContact O-CB 3.43Å; E66-S69 PolarHBondContact O-N 3.2Å; E66-E70 PolarHBondContact O-N 3.08Å |
| 67 | N | 74.6 | Confident | 72.7 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.2 | -44.2 | 172.2 | -168.5 | -86.4 | 0 | 0 | 0 | 111.9 | F63 S64 S69 E70 I71 | F63-N67 WeakPolarHBondContact O-CB 3.27Å; F63-N67 PolarHBondContact O-N 3.18Å; S64-N67 PolarHBondContact O-N 2.95Å; N67-S69 VanDerWaalsContact C-N 3.35Å; N67-S69 PolarHBondContact O-N 2.88Å; N67-E70 PolarHBondContact O-N 3.28Å; N67-I71 VanDerWaalsContact O-CG1 3.31Å; N67-I71 WeakPolarHBondContact O-CG1 3.3Å; N67-I71 PolarHBondContact O-N 3.34Å; N67-I71 WeakPolarHBondContact OD1-CD1 3.41Å |
| 68 | H | 78.9 | Confident | 74.8 | Confident | 126 Ų | 126 | 115.1 Ų | 115.1 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 174.5 | -172.2 | 73.2 | 0 | 0 | 0 | 112.4 | S64 E66 E70 I71 E72 | S64-H68 WeakPolarHBondContact O-CB 3.18Å; S64-H68 PolarHBondContact O-N 3.09Å; E66-H68 PolarHBondContact O-N 3.09Å; H68-E70 VanDerWaalsContact C-N 3.3Å; H68-E70 PolarHBondContact O-N 3.16Å; H68-I71 PolarHBondContact O-N 2.78Å; H68-E72 WeakPolarHBondContact O-CB 3.49Å; H68-E72 PolarHBondContact O-N 3.41Å |
| 69 | S | 83.3 | Confident | 76.7 | Confident | 68 Ų | 68 | 112.6 Ų | 112.6 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 177 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | R65 E66 N67 R73 | R65-S69 VanDerWaalsContact O-CB 3.32Å; R65-S69 WeakPolarHBondContact O-CB 3.38Å; R65-S69 PolarHBondContact O-N 3.17Å; R65-S69 PolarHBondContact O-OG 2.94Å; E66-S69 WeakPolarHBondContact O-CB 3.43Å; E66-S69 PolarHBondContact O-N 3.2Å; N67-S69 VanDerWaalsContact C-N 3.35Å; N67-S69 PolarHBondContact O-N 2.88Å; S69-R73 WeakPolarHBondContact O-CB 3.47Å; S69-R73 PolarHBondContact O-N 3.41Å |
| 70 | E | 86.6 | Confident | 78.9 | Confident | 81 Ų | 81 | 113.6 Ų | 113.6 | 38% | 0.379 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.1 | -42 | 175.8 | -163.3 | -175.8 | 171 | 0 | 0 | 112.1 | E66 N67 H68 E72 R73 R74 | E66-E70 PolarHBondContact O-N 3.08Å; N67-E70 PolarHBondContact O-N 3.28Å; H68-E70 VanDerWaalsContact C-N 3.3Å; H68-E70 PolarHBondContact O-N 3.16Å; E70-E72 VanDerWaalsContact C-N 3.32Å; E70-E72 PolarHBondContact O-N 2.66Å; E70-R73 WeakPolarHBondContact O-CB 3.22Å; E70-R73 PolarHBondContact O-N 3.46Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.05Å; E70-R74 IonicContact OE1-CZ 2.82Å; E70-R74 IonicContact OE1-NE 3.8Å; E70-R74 PolarHBondContact OE1-NE 2.93Å; E70-R74 IonicContact OE1-NH2 3.53Å; E70-R74 PolarHBondContact OE1-NH2 3.49Å; E70-R74 IonicContact OE2-NH2 3.86Å |
| 71 | I | 85.3 | Confident | 80.7 | Confident | 96 Ų | 96 | 113.1 Ų | 113.1 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 174 | -68.4 | 165.4 | 0 | 0 | 0 | 110.5 | N67 H68 R73 R74 R75 | N67-I71 VanDerWaalsContact O-CG1 3.31Å; N67-I71 WeakPolarHBondContact O-CG1 3.3Å; N67-I71 PolarHBondContact O-N 3.34Å; N67-I71 WeakPolarHBondContact OD1-CD1 3.41Å; H68-I71 PolarHBondContact O-N 2.78Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 2.99Å; I71-R74 PolarHBondContact O-N 2.88Å; I71-R75 PolarHBondContact O-N 3.37Å |
| 72 | E | 91 | Very high | 82.5 | Confident | 30 Ų | 30 | 115.5 Ų | 115.5 | 14% | 0.14 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.7 | 179.2 | 58.3 | -152.7 | 0 | 0 | 111.7 | H68 E70 R75 R76 | H68-E72 WeakPolarHBondContact O-CB 3.49Å; H68-E72 PolarHBondContact O-N 3.41Å; E70-E72 VanDerWaalsContact C-N 3.32Å; E70-E72 PolarHBondContact O-N 2.66Å; E72-R75 PolarHBondContact O-N 2.85Å; E72-R75 IonicContact OE1-CZ 3.47Å; E72-R75 IonicContact OE1-NE 2.76Å; E72-R75 IonicContact OE1-NH2 3.54Å; E72-R75 PolarHBondContact OE1-NH2 3.45Å; E72-R75 IonicContact OE2-CZ 2.93Å; E72-R75 IonicContact OE2-NE 2.96Å; E72-R75 IonicContact OE2-NH1 2.86Å; E72-R75 PolarHBondContact OE2-NH1 2.88Å; E72-R75 IonicContact OE2-NH2 3.38Å; E72-R75 PolarHBondContact OE2-NH2 2.99Å; E72-R76 VanDerWaalsContact CG-NH2 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.47Å; E72-R76 IonicContact OE1-CZ 2.86Å; E72-R76 IonicContact OE1-NE 3.68Å; E72-R76 PolarHBondContact OE1-NE 2.83Å; E72-R76 IonicContact OE1-NH2 2.72Å; E72-R76 PolarHBondContact OE1-NH2 3.2Å |
| 73 | R | 90.9 | Very high | 84.1 | Confident | 164 Ų | 164 | 108.3 Ų | 108.3 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -46.8 | 173.7 | -171.1 | -171.9 | -62.5 | 174.4 | 1.4 | 111.3 | S69 E70 I71 R75 R76 N77 | S69-R73 WeakPolarHBondContact O-CB 3.47Å; S69-R73 PolarHBondContact O-N 3.41Å; E70-R73 WeakPolarHBondContact O-CB 3.22Å; E70-R73 PolarHBondContact O-N 3.46Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 2.99Å; R73-R75 VanDerWaalsContact C-N 3.33Å; R73-R75 PolarHBondContact O-N 3.06Å; R73-R76 PolarHBondContact O-N 3.25Å; R73-N77 VanDerWaalsContact O-CG 3.29Å; R73-N77 PolarHBondContact O-N 3.41Å; R73-N77 PolarHBondContact O-OD1 2.85Å |
| 74 | R | 91 | Very high | 85.9 | Confident | 158 Ų | 158 | 104.5 Ų | 104.5 | 60% | 0.596 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.7 | -40.9 | 176.5 | -69.4 | 176.3 | -171.9 | -171.9 | 3.6 | 111.5 | E70 I71 N77 K78 | E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.05Å; E70-R74 IonicContact OE1-CZ 2.82Å; E70-R74 IonicContact OE1-NE 3.8Å; E70-R74 PolarHBondContact OE1-NE 2.93Å; E70-R74 IonicContact OE1-NH2 3.53Å; E70-R74 PolarHBondContact OE1-NH2 3.49Å; E70-R74 IonicContact OE2-NH2 3.86Å; I71-R74 PolarHBondContact O-N 2.88Å; R74-N77 PolarHBondContact O-N 2.87Å; R74-K78 WeakPolarHBondContact O-CB 3.33Å; R74-K78 PolarHBondContact O-N 2.97Å |
| 75 | R | 93.5 | Very high | 87.5 | Confident | 158 Ų | 158 | 104.7 Ų | 104.7 | 60% | 0.596 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 174.6 | -164.3 | -173.9 | 80.2 | -155.9 | -1 | 112 | I71 E72 R73 K78 M79 | I71-R75 PolarHBondContact O-N 3.37Å; E72-R75 PolarHBondContact O-N 2.85Å; E72-R75 IonicContact OE1-CZ 3.47Å; E72-R75 IonicContact OE1-NE 2.76Å; E72-R75 IonicContact OE1-NH2 3.54Å; E72-R75 PolarHBondContact OE1-NH2 3.45Å; E72-R75 IonicContact OE2-CZ 2.93Å; E72-R75 IonicContact OE2-NE 2.96Å; E72-R75 IonicContact OE2-NH1 2.86Å; E72-R75 PolarHBondContact OE2-NH1 2.88Å; E72-R75 IonicContact OE2-NH2 3.38Å; E72-R75 PolarHBondContact OE2-NH2 2.99Å; R73-R75 VanDerWaalsContact C-N 3.33Å; R73-R75 PolarHBondContact O-N 3.06Å; R75-K78 PolarHBondContact O-N 3.37Å; R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 PolarHBondContact O-N 3.39Å |
| 76 | R | 93.9 | Very high | 88.9 | Confident | 143 Ų | 143 | 97.7 Ų | 97.7 | 54% | 0.54 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66 | -39 | 177.9 | -69.9 | 175.7 | -164.9 | 163.7 | 1.6 | 112.6 | E72 R73 M79 T80 | E72-R76 VanDerWaalsContact CG-NH2 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.47Å; E72-R76 IonicContact OE1-CZ 2.86Å; E72-R76 IonicContact OE1-NE 3.68Å; E72-R76 PolarHBondContact OE1-NE 2.83Å; E72-R76 IonicContact OE1-NH2 2.72Å; E72-R76 PolarHBondContact OE1-NH2 3.2Å; R73-R76 PolarHBondContact O-N 3.25Å; R76-M79 PolarHBondContact O-N 3.25Å; R76-T80 WeakPolarHBondContact O-CB 3.25Å; R76-T80 PolarHBondContact O-N 3.17Å; R76-T80 PolarHBondContact O-OG1 3.2Å |
| 77 | N | 94.4 | Very high | 90.2 | Very high | 103 Ų | 103 | 91.7 Ų | 91.7 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.7 | -45.9 | 176 | -69.4 | -5.5 | 0 | 0 | 0 | 110.6 | R73 R74 M79 T80 Q81 | R73-N77 VanDerWaalsContact O-CG 3.29Å; R73-N77 PolarHBondContact O-N 3.41Å; R73-N77 PolarHBondContact O-OD1 2.85Å; R74-N77 PolarHBondContact O-N 2.87Å; N77-M79 PolarHBondContact O-N 2.76Å; N77-T80 WeakPolarHBondContact O-CB 3.32Å; N77-T80 PolarHBondContact O-N 3.49Å; N77-T80 VanDerWaalsContact O-N 3.14Å; N77-Q81 PolarHBondContact O-N 2.77Å |
| 78 | K | 94.2 | Very high | 90.9 | Very high | 113 Ų | 113 | 91.6 Ų | 91.6 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.3 | -170.7 | 167.8 | -178.9 | 172.8 | 0 | 112.7 | R74 R75 T80 Q81 Y82 | R74-K78 WeakPolarHBondContact O-CB 3.33Å; R74-K78 PolarHBondContact O-N 2.97Å; R75-K78 PolarHBondContact O-N 3.37Å; K78-T80 VanDerWaalsContact C-N 3.31Å; K78-T80 PolarHBondContact O-N 3.26Å; K78-Q81 WeakPolarHBondContact O-CB 3.32Å; K78-Q81 PolarHBondContact O-N 2.88Å; K78-Y82 HydrophobicContact CD-CE2 4.2Å; K78-Y82 WeakPolarHBondContact CE-OH 3.35Å; K78-Y82 HydrophobicContact CG-CD2 4.2Å; K78-Y82 HydrophobicContact CG-CE2 3.63Å; K78-Y82 WeakPolarHBondContact O-CD2 3.1Å; K78-Y82 PolarHBondContact O-N 3.22Å |
| 79 | M | 92.7 | Very high | 91.3 | Very high | 100 Ų | 100 | 92.1 Ų | 92.1 | 49% | 0.493 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 173.1 | -174.2 | -178.9 | 78.6 | 0 | 0 | 111.6 | R75 R76 N77 Q81 Y82 I83 | R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 PolarHBondContact O-N 3.39Å; R76-M79 PolarHBondContact O-N 3.25Å; N77-M79 PolarHBondContact O-N 2.76Å; M79-Q81 VanDerWaalsContact C-N 3.32Å; M79-Q81 PolarHBondContact O-N 3.3Å; M79-Y82 PolarHBondContact O-N 3.22Å; M79-I83 VanDerWaalsContact O-CG1 3.29Å; M79-I83 WeakPolarHBondContact O-CG1 3.25Å; M79-I83 PolarHBondContact O-N 3.14Å |
| 80 | T | 93.1 | Very high | 91.6 | Very high | 51 Ų | 51 | 89 Ų | 89 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.3 | -37 | 178.6 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | R76 N77 K78 I83 T84 K102 | R76-T80 WeakPolarHBondContact O-CB 3.25Å; R76-T80 PolarHBondContact O-N 3.17Å; R76-T80 PolarHBondContact O-OG1 3.2Å; N77-T80 WeakPolarHBondContact O-CB 3.32Å; N77-T80 PolarHBondContact O-N 3.49Å; N77-T80 VanDerWaalsContact O-N 3.14Å; K78-T80 VanDerWaalsContact C-N 3.31Å; K78-T80 PolarHBondContact O-N 3.26Å; T80-I83 PolarHBondContact O-N 2.94Å; T80-T84 PolarHBondContact O-N 3.35Å; T80-T84 VanDerWaalsContact O-N 3.15Å; T80-T84 PolarHBondContact O-OG1 3.23Å; T80-K102 PolarHBondContact OG1-NZ 3.33Å |
| 81 | Q | 94 | Very high | 91.5 | Very high | 107 Ų | 107 | 88.7 Ų | 88.7 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60 | -51.9 | 171.5 | -179.6 | -179.9 | 6 | 0 | 0 | 111.1 | N77 K78 M79 I83 T84 E85 | N77-Q81 PolarHBondContact O-N 2.77Å; K78-Q81 WeakPolarHBondContact O-CB 3.32Å; K78-Q81 PolarHBondContact O-N 2.88Å; M79-Q81 VanDerWaalsContact C-N 3.32Å; M79-Q81 PolarHBondContact O-N 3.3Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.45Å; Q81-T84 WeakPolarHBondContact O-CA 3.49Å; Q81-T84 WeakPolarHBondContact O-CB 3.36Å; Q81-T84 PolarHBondContact O-N 3.21Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.49Å; Q81-E85 PolarHBondContact NE2-OE1 3.24Å; Q81-E85 PolarHBondContact O-N 2.81Å |
| 82 | Y | 94.8 | Very high | 91.4 | Very high | 128 Ų | 128 | 87.7 Ų | 87.7 | 50% | 0.502 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 179 | -68.4 | -39 | 0 | 0 | 0 | 113.6 | K78 M79 T84 L86 | K78-Y82 HydrophobicContact CD-CE2 4.2Å; K78-Y82 WeakPolarHBondContact CE-OH 3.35Å; K78-Y82 HydrophobicContact CG-CD2 4.2Å; K78-Y82 HydrophobicContact CG-CE2 3.63Å; K78-Y82 WeakPolarHBondContact O-CD2 3.1Å; K78-Y82 PolarHBondContact O-N 3.22Å; M79-Y82 PolarHBondContact O-N 3.22Å; Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 2.86Å; Y82-L86 WeakPolarHBondContact O-CB 3.31Å; Y82-L86 PolarHBondContact O-N 2.85Å |
| 83 | I | 92.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 86.5 Ų | 86.5 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 175.5 | -65.9 | -68.8 | 0 | 0 | 0 | 111.6 | M79 T80 Q81 S87 K102 I105 L106 | M79-I83 VanDerWaalsContact O-CG1 3.29Å; M79-I83 WeakPolarHBondContact O-CG1 3.25Å; M79-I83 PolarHBondContact O-N 3.14Å; T80-I83 PolarHBondContact O-N 2.94Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.45Å; I83-S87 PolarHBondContact O-N 3.37Å; I83-K102 HydrophobicContact CG2-CB 4.3Å; I83-K102 HydrophobicContact CG2-CG 4.1Å; I83-I105 HydrophobicContact CG2-CB 4.31Å; I83-I105 HydrophobicContact CG2-CD1 3.67Å; I83-I105 HydrophobicContact CG2-CG2 4.14Å; I83-L106 HydrophobicContact CD1-CD1 4.2Å; I83-L106 HydrophobicContact CD1-CD2 3.62Å; I83-L106 HydrophobicContact CD1-CG 3.88Å |
| 84 | T | 90.9 | Very high | 90.9 | Very high | 50 Ų | 50 | 81.7 Ų | 81.7 | 31% | 0.307 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73 | -46.5 | 178.4 | -52 | 0 | 0 | 0 | 0 | 111 | T80 Q81 Y82 L86 S87 D88 | T80-T84 PolarHBondContact O-N 3.35Å; T80-T84 VanDerWaalsContact O-N 3.15Å; T80-T84 PolarHBondContact O-OG1 3.23Å; Q81-T84 WeakPolarHBondContact O-CA 3.49Å; Q81-T84 WeakPolarHBondContact O-CB 3.36Å; Q81-T84 PolarHBondContact O-N 3.21Å; Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 2.86Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.34Å; T84-S87 PolarHBondContact O-N 3.24Å; T84-S87 VanDerWaalsContact O-N 3.13Å; T84-S87 PolarHBondContact O-OG 2.84Å; T84-D88 PolarHBondContact O-N 3.28Å |
| 85 | E | 93.9 | Very high | 90.5 | Very high | 82 Ų | 82 | 78.2 Ų | 78.2 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 174 | -69.4 | 172.5 | -166.4 | 0 | 0 | 110.9 | Q81 D88 M89 | Q81-E85 WeakPolarHBondContact CG-OE1 3.49Å; Q81-E85 PolarHBondContact NE2-OE1 3.24Å; Q81-E85 PolarHBondContact O-N 2.81Å; E85-D88 PolarHBondContact O-N 3.27Å; E85-M89 WeakPolarHBondContact O-CG 3.46Å; E85-M89 PolarHBondContact O-N 2.62Å; E85-M89 VanDerWaalsContact O-N 3.11Å |
| 86 | L | 92.6 | Very high | 90 | Very high | 48 Ų | 48 | 74.9 Ų | 74.9 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 174.9 | -177.3 | 63.8 | 0 | 0 | 0 | 112.7 | Y82 T84 D88 M89 V90 I105 L106 A109 | Y82-L86 WeakPolarHBondContact O-CB 3.31Å; Y82-L86 PolarHBondContact O-N 2.85Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.34Å; L86-D88 PolarHBondContact O-N 3.35Å; L86-M89 HydrophobicContact CD1-CE 4.37Å; L86-M89 PolarHBondContact O-N 3.34Å; L86-V90 HydrophobicContact CD1-CG2 4.12Å; L86-V90 HydrophobicContact CG-CG2 4.43Å; L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 2.83Å; L86-I105 HydrophobicContact CD2-CG2 4.42Å; L86-I105 HydrophobicContact CG-CG2 4.44Å; L86-L106 HydrophobicContact CD2-CD2 3.99Å; L86-A109 HydrophobicContact CD1-CB 4.13Å; L86-A109 HydrophobicContact CD2-CB 3.9Å; L86-A109 HydrophobicContact CG-CB 4.11Å |
| 87 | S | 91.3 | Very high | 89.1 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 4% | 0.035 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -32.1 | 177.7 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | I83 T84 C93 S94 | I83-S87 PolarHBondContact O-N 3.37Å; T84-S87 PolarHBondContact O-N 3.24Å; T84-S87 VanDerWaalsContact O-N 3.13Å; T84-S87 PolarHBondContact O-OG 2.84Å; S87-C93 VanDerWaalsContact O-CB 3.31Å; S87-C93 WeakPolarHBondContact O-CB 3.24Å; S87-S94 PolarHBondContact O-N 2.96Å |
| 88 | D | 89.9 | Confident | 88.7 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -76.1 | -33.3 | 179.6 | -60.5 | -15.4 | 0 | 0 | 0 | 111.1 | T84 E85 L86 | T84-D88 PolarHBondContact O-N 3.28Å; E85-D88 PolarHBondContact O-N 3.27Å; L86-D88 PolarHBondContact O-N 3.35Å |
| 89 | M | 88.2 | Confident | 88 | Confident | 136 Ų | 136 | 80.7 Ų | 80.7 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -75.9 | -19.5 | 176 | -70.3 | -172.2 | -68.1 | 0 | 0 | 114.5 | E85 L86 P91 | E85-M89 WeakPolarHBondContact O-CG 3.46Å; E85-M89 PolarHBondContact O-N 2.62Å; E85-M89 VanDerWaalsContact O-N 3.11Å; L86-M89 HydrophobicContact CD1-CE 4.37Å; L86-M89 PolarHBondContact O-N 3.34Å; M89-P91 WeakPolarHBondContact O-CD 3.38Å |
| 90 | V | 88.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.024 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -95.7 | 112.4 | -178.5 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | L86 T92 C93 S94 A109 H112 | L86-V90 HydrophobicContact CD1-CG2 4.12Å; L86-V90 HydrophobicContact CG-CG2 4.43Å; L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 2.83Å; V90-T92 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T92 PolarHBondContact O-N 2.91Å; V90-T92 VanDerWaalsContact O-N 3.11Å; V90-C93 HydrophobicContact CB-CB 4.06Å; V90-C93 HydrophobicContact CG1-CB 4.16Å; V90-C93 WeakPolarHBondContact O-CB 3.12Å; V90-C93 PolarHBondContact O-N 2.91Å; V90-S94 PolarHBondContact O-N 3.46Å; V90-S94 PolarHBondContact O-OG 3.08Å; V90-A109 HydrophobicContact CG2-CB 3.8Å; V90-H112 HydrophobicContact CG1-CB 4.02Å |
| 91 | P | 84.3 | Confident | 87.7 | Confident | 73 Ų | 73 | 79 Ų | 79 | 47% | 0.474 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.8 | -33.9 | -173 | -26.7 | 34.5 | 0 | 0 | 0 | 114.5 | M89 C93 S94 A95 H112 | M89-P91 WeakPolarHBondContact O-CD 3.38Å; P91-C93 VanDerWaalsContact C-N 3.34Å; P91-S94 PolarHBondContact O-OG 3.39Å; P91-A95 VanDerWaalsContact O-CB 3.28Å; P91-A95 WeakPolarHBondContact O-CB 3.06Å; P91-A95 PolarHBondContact O-N 3.4Å; P91-H112 WeakPolarHBondContact CD-NE2 3.31Å |
| 92 | T | 84.2 | Confident | 87.6 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 47% | 0.466 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.5 | -25.9 | 178.7 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | V90 M108 | V90-T92 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T92 PolarHBondContact O-N 2.91Å; V90-T92 VanDerWaalsContact O-N 3.11Å; T92-M108 VanDerWaalsContact CB-CE 3.5Å; T92-M108 WeakPolarHBondContact O-CE 3.48Å; T92-M108 WeakPolarHBondContact OG1-CE 3.44Å |
| 93 | C | 83.9 | Confident | 87.5 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.034 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -86.5 | -41.7 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | S87 V90 P91 A95 L96 M108 | S87-C93 VanDerWaalsContact O-CB 3.31Å; S87-C93 WeakPolarHBondContact O-CB 3.24Å; V90-C93 HydrophobicContact CB-CB 4.06Å; V90-C93 HydrophobicContact CG1-CB 4.16Å; V90-C93 WeakPolarHBondContact O-CB 3.12Å; V90-C93 PolarHBondContact O-N 2.91Å; P91-C93 VanDerWaalsContact C-N 3.34Å; C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 3.22Å; C93-L96 PolarHBondContact O-N 3.43Å; C93-M108 WeakPolarHBondContact SG-CB 3.39Å |
| 94 | S | 86.9 | Confident | 87.4 | Confident | 63 Ų | 63 | 77.8 Ų | 77.8 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.8 | -27.1 | -176.2 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | S87 V90 P91 L96 | S87-S94 PolarHBondContact O-N 2.96Å; V90-S94 PolarHBondContact O-N 3.46Å; V90-S94 PolarHBondContact O-OG 3.08Å; P91-S94 PolarHBondContact O-OG 3.39Å; S94-L96 PolarHBondContact O-N 3.47Å |
| 95 | A | 82.4 | Confident | 87.5 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 69% | 0.694 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P91 C93 | P91-A95 VanDerWaalsContact O-CB 3.28Å; P91-A95 WeakPolarHBondContact O-CB 3.06Å; P91-A95 PolarHBondContact O-N 3.4Å; C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 3.22Å |
| 96 | L | 83.8 | Confident | 87.5 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | trans | -86 | 126.6 | -179.4 | -67 | 171.5 | 0 | 0 | 0 | 111.3 | C93 S94 R98 P100 M108 | C93-L96 PolarHBondContact O-N 3.43Å; S94-L96 PolarHBondContact O-N 3.47Å; L96-R98 PolarHBondContact O-N 3.22Å; L96-R98 VanDerWaalsContact O-N 3.14Å; L96-P100 HydrophobicContact CD1-CG 4.08Å; L96-M108 HydrophobicContact CD1-CE 4.15Å | ||
| 97 | A | 74.9 | Confident | 87.4 | Confident | 121 Ų | 121 | 81 Ų | 81 | 100% | 1 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -63 | -19.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 98 | R | 85.9 | Confident | 87.4 | Confident | 216 Ų | 216 | 82.7 Ų | 82.7 | 82% | 0.815 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -120.1 | 126 | 174.5 | -173.8 | 176.1 | 178.9 | 154.2 | 0.4 | 109.4 | L96 P100 | L96-R98 PolarHBondContact O-N 3.22Å; L96-R98 VanDerWaalsContact O-N 3.14Å; R98-P100 WeakPolarHBondContact O-CD 3.37Å |
| 99 | K | 80.5 | Confident | 87.5 | Confident | 143 Ų | 143 | 78.5 Ų | 78.5 | 62% | 0.622 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 120.1 | 178.5 | -68.8 | -166.2 | 175.6 | -166 | 0 | 110.1 | ||
| 100 | P | 87.3 | Confident | 87.6 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 164.1 | 177.1 | 21.9 | -26.1 | 0 | 0 | 0 | 111.3 | L96 R98 T104 I105 | L96-P100 HydrophobicContact CD1-CG 4.08Å; R98-P100 WeakPolarHBondContact O-CD 3.37Å; P100-T104 HydrophobicContact CB-CG2 3.83Å; P100-I105 HydrophobicContact CB-CG1 4.37Å; P100-I105 HydrophobicContact CG-CG1 3.75Å; P100-I105 WeakPolarHBondContact O-CD1 2.86Å |
| 101 | D | 91.9 | Very high | 87.5 | Confident | 90 Ų | 90 | 78.5 Ų | 78.5 | 48% | 0.481 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 156.9 | 176.3 | 64.8 | -71.7 | 0 | 0 | 0 | 111.7 | L103 T104 I105 | D101-L103 PolarHBondContact O-N 3.46Å; D101-L103 VanDerWaalsContact O-N 3.13Å; D101-L103 WeakPolarHBondContact OD2-CB 3.46Å; D101-L103 PolarHBondContact OD2-N 3.18Å; D101-T104 VanDerWaalsContact CG-OG1 3.24Å; D101-T104 PolarHBondContact O-N 3.28Å; D101-T104 WeakPolarHBondContact OD1-CB 3.45Å; D101-T104 PolarHBondContact OD1-OG1 2.84Å; D101-T104 PolarHBondContact OD2-N 2.97Å; D101-T104 PolarHBondContact OD2-OG1 3.36Å; D101-I105 PolarHBondContact O-N 3.22Å |
| 102 | K | 90.9 | Very high | 87.5 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 41% | 0.409 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.4 | -35.9 | -175 | -63.6 | -171.9 | 175.8 | -178.6 | 0 | 113 | T80 I83 L106 | T80-K102 PolarHBondContact OG1-NZ 3.33Å; I83-K102 HydrophobicContact CG2-CB 4.3Å; I83-K102 HydrophobicContact CG2-CG 4.1Å; K102-L106 WeakPolarHBondContact O-CG 3.31Å; K102-L106 PolarHBondContact O-N 3.28Å |
| 103 | L | 92.7 | Very high | 87.5 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 48% | 0.482 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.3 | -41.7 | 179.7 | 179 | 61.7 | 0 | 0 | 0 | 111 | D101 L106 R107 | D101-L103 PolarHBondContact O-N 3.46Å; D101-L103 VanDerWaalsContact O-N 3.13Å; D101-L103 WeakPolarHBondContact OD2-CB 3.46Å; D101-L103 PolarHBondContact OD2-N 3.18Å; L103-L106 PolarHBondContact O-N 3.15Å; L103-R107 WeakPolarHBondContact O-CG 3.44Å; L103-R107 PolarHBondContact O-N 3.16Å |
| 104 | T | 91.5 | Very high | 87.4 | Confident | 42 Ų | 42 | 85 Ų | 85 | 26% | 0.258 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 174.9 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | P100 D101 L106 R107 M108 | P100-T104 HydrophobicContact CB-CG2 3.83Å; D101-T104 VanDerWaalsContact CG-OG1 3.24Å; D101-T104 PolarHBondContact O-N 3.28Å; D101-T104 WeakPolarHBondContact OD1-CB 3.45Å; D101-T104 PolarHBondContact OD1-OG1 2.84Å; D101-T104 PolarHBondContact OD2-N 2.97Å; D101-T104 PolarHBondContact OD2-OG1 3.36Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.28Å; T104-R107 PolarHBondContact O-N 3.21Å; T104-R107 VanDerWaalsContact O-N 3.14Å; T104-M108 HydrophobicContact CG2-CG 4.18Å; T104-M108 HydrophobicContact CG2-SD 3.61Å; T104-M108 WeakPolarHBondContact O-CB 3.18Å; T104-M108 VanDerWaalsContact O-CG 3.3Å; T104-M108 WeakPolarHBondContact O-CG 3.29Å; T104-M108 PolarHBondContact O-N 3.47Å |
| 105 | I | 92.3 | Very high | 87 | Confident | 9 Ų | 9 | 86.2 Ų | 86.2 | 5% | 0.046 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -54.1 | -47.6 | 173.2 | -66.5 | 166.2 | 0 | 0 | 0 | 110.4 | I83 L86 P100 D101 M108 A109 | I83-I105 HydrophobicContact CG2-CB 4.31Å; I83-I105 HydrophobicContact CG2-CD1 3.67Å; I83-I105 HydrophobicContact CG2-CG2 4.14Å; L86-I105 HydrophobicContact CD2-CG2 4.42Å; L86-I105 HydrophobicContact CG-CG2 4.44Å; P100-I105 HydrophobicContact CB-CG1 4.37Å; P100-I105 HydrophobicContact CG-CG1 3.75Å; P100-I105 WeakPolarHBondContact O-CD1 2.86Å; D101-I105 PolarHBondContact O-N 3.22Å; I105-M108 PolarHBondContact O-N 2.84Å; I105-A109 VanDerWaalsContact O-CB 3.29Å; I105-A109 WeakPolarHBondContact O-CB 3.23Å; I105-A109 PolarHBondContact O-N 2.83Å |
| 106 | L | 93.6 | Very high | 86.3 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 40% | 0.398 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 178.3 | -70.1 | 173.6 | 0 | 0 | 0 | 112.5 | I83 L86 K102 L103 T104 M108 A109 V110 | I83-L106 HydrophobicContact CD1-CD1 4.2Å; I83-L106 HydrophobicContact CD1-CD2 3.62Å; I83-L106 HydrophobicContact CD1-CG 3.88Å; L86-L106 HydrophobicContact CD2-CD2 3.99Å; K102-L106 WeakPolarHBondContact O-CG 3.31Å; K102-L106 PolarHBondContact O-N 3.28Å; L103-L106 PolarHBondContact O-N 3.15Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.28Å; L106-M108 PolarHBondContact O-N 2.88Å; L106-A109 PolarHBondContact O-N 2.87Å; L106-V110 WeakPolarHBondContact O-CB 3.37Å; L106-V110 VanDerWaalsContact O-CG2 3.25Å; L106-V110 WeakPolarHBondContact O-CG2 3.4Å; L106-V110 PolarHBondContact O-N 2.93Å |
| 107 | R | 91.4 | Very high | 85.6 | Confident | 162 Ų | 162 | 91.4 Ų | 91.4 | 61% | 0.611 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 177.9 | -74.1 | 173.4 | 174.5 | -179.2 | -1.9 | 111.8 | L103 T104 V110 S111 | L103-R107 WeakPolarHBondContact O-CG 3.44Å; L103-R107 PolarHBondContact O-N 3.16Å; T104-R107 PolarHBondContact O-N 3.21Å; T104-R107 VanDerWaalsContact O-N 3.14Å; R107-V110 PolarHBondContact O-N 2.88Å; R107-S111 WeakPolarHBondContact O-CB 3.34Å; R107-S111 PolarHBondContact O-N 3.02Å |
| 108 | M | 90.9 | Very high | 84.6 | Confident | 42 Ų | 42 | 88 Ų | 88 | 21% | 0.207 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.4 | -40.5 | 177.4 | -69 | 174.8 | 70.5 | 0 | 0 | 111.5 | T92 C93 L96 T104 I105 L106 V110 S111 H112 | T92-M108 VanDerWaalsContact CB-CE 3.5Å; T92-M108 WeakPolarHBondContact O-CE 3.48Å; T92-M108 WeakPolarHBondContact OG1-CE 3.44Å; C93-M108 WeakPolarHBondContact SG-CB 3.39Å; L96-M108 HydrophobicContact CD1-CE 4.15Å; T104-M108 HydrophobicContact CG2-CG 4.18Å; T104-M108 HydrophobicContact CG2-SD 3.61Å; T104-M108 WeakPolarHBondContact O-CB 3.18Å; T104-M108 VanDerWaalsContact O-CG 3.3Å; T104-M108 WeakPolarHBondContact O-CG 3.29Å; T104-M108 PolarHBondContact O-N 3.47Å; I105-M108 PolarHBondContact O-N 2.84Å; L106-M108 PolarHBondContact O-N 2.88Å; M108-V110 PolarHBondContact O-N 3.21Å; M108-S111 WeakPolarHBondContact O-CB 3.25Å; M108-S111 PolarHBondContact O-N 2.97Å; M108-H112 WeakPolarHBondContact O-CB 3.11Å; M108-H112 PolarHBondContact O-N 3.49Å |
| 109 | A | 91.3 | Very high | 82.8 | Confident | 5 Ų | 5 | 85 Ų | 85 | 4% | 0.041 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | L86 V90 I105 L106 S111 H112 M113 | L86-A109 HydrophobicContact CD1-CB 4.13Å; L86-A109 HydrophobicContact CD2-CB 3.9Å; L86-A109 HydrophobicContact CG-CB 4.11Å; V90-A109 HydrophobicContact CG2-CB 3.8Å; I105-A109 VanDerWaalsContact O-CB 3.29Å; I105-A109 WeakPolarHBondContact O-CB 3.23Å; I105-A109 PolarHBondContact O-N 2.83Å; L106-A109 PolarHBondContact O-N 2.87Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.28Å; A109-H112 PolarHBondContact O-N 2.86Å; A109-M113 WeakPolarHBondContact O-CB 3.05Å; A109-M113 WeakPolarHBondContact O-CG 3.38Å; A109-M113 PolarHBondContact O-N 2.84Å |
| 110 | V | 90.3 | Very high | 81.4 | Confident | 65 Ų | 65 | 80.4 Ų | 80.4 | 39% | 0.394 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.1 | 169.8 | 0 | 0 | 0 | 0 | 111 | L106 R107 M108 M113 K114 | L106-V110 WeakPolarHBondContact O-CB 3.37Å; L106-V110 VanDerWaalsContact O-CG2 3.25Å; L106-V110 WeakPolarHBondContact O-CG2 3.4Å; L106-V110 PolarHBondContact O-N 2.93Å; R107-V110 PolarHBondContact O-N 2.88Å; M108-V110 PolarHBondContact O-N 3.21Å; V110-M113 HydrophobicContact CG2-CE 4.35Å; V110-K114 HydrophobicContact CG1-CD 4.06Å; V110-K114 HydrophobicContact CG1-CG 4.43Å; V110-K114 WeakPolarHBondContact O-CB 3.21Å; V110-K114 VanDerWaalsContact O-CG 3.26Å; V110-K114 WeakPolarHBondContact O-CG 3.47Å; V110-K114 PolarHBondContact O-N 2.87Å |
| 111 | S | 87.3 | Confident | 79.4 | Confident | 76 Ų | 76 | 84 Ų | 84 | 53% | 0.531 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 174.9 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | R107 M108 A109 K114 S115 | R107-S111 WeakPolarHBondContact O-CB 3.34Å; R107-S111 PolarHBondContact O-N 3.02Å; M108-S111 WeakPolarHBondContact O-CB 3.25Å; M108-S111 PolarHBondContact O-N 2.97Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.28Å; S111-K114 PolarHBondContact O-N 3.42Å; S111-S115 WeakPolarHBondContact O-CB 3.42Å; S111-S115 PolarHBondContact O-N 3.43Å |
| 112 | H | 84.1 | Confident | 77 | Confident | 49 Ų | 49 | 90.1 Ų | 90.1 | 23% | 0.227 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 175.3 | -179.9 | -112.8 | 0 | 0 | 0 | 111.5 | V90 P91 M108 A109 K114 S115 M116 | V90-H112 HydrophobicContact CG1-CB 4.02Å; P91-H112 WeakPolarHBondContact CD-NE2 3.31Å; M108-H112 WeakPolarHBondContact O-CB 3.11Å; M108-H112 PolarHBondContact O-N 3.49Å; A109-H112 PolarHBondContact O-N 2.86Å; H112-K114 VanDerWaalsContact C-N 3.34Å; H112-K114 PolarHBondContact O-N 2.93Å; H112-S115 PolarHBondContact O-N 3.06Å; H112-M116 PolarHBondContact CE1-SD 2.99Å; H112-M116 WeakPolarHBondContact O-CG 3.36Å; H112-M116 PolarHBondContact O-N 2.98Å |
| 113 | M | 84.1 | Confident | 74.4 | Confident | 91 Ų | 91 | 89.8 Ų | 89.8 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 175.3 | -71.8 | -168.9 | -64.4 | 0 | 0 | 113 | A109 V110 M116 R117 | A109-M113 WeakPolarHBondContact O-CB 3.05Å; A109-M113 WeakPolarHBondContact O-CG 3.38Å; A109-M113 PolarHBondContact O-N 2.84Å; V110-M113 HydrophobicContact CG2-CE 4.35Å; M113-M116 HydrophobicContact CG-CE 4.22Å; M113-R117 VanDerWaalsContact O-CB 3.23Å; M113-R117 WeakPolarHBondContact O-CB 3.26Å; M113-R117 WeakPolarHBondContact O-CG 3.41Å; M113-R117 PolarHBondContact O-N 2.89Å |
| 114 | K | 81.9 | Confident | 71.9 | Confident | 149 Ų | 149 | 92.2 Ų | 92.2 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | 175.9 | -80.1 | 177.6 | 177.9 | -177.8 | 0 | 112.1 | V110 S111 H112 R117 G118 | V110-K114 HydrophobicContact CG1-CD 4.06Å; V110-K114 HydrophobicContact CG1-CG 4.43Å; V110-K114 WeakPolarHBondContact O-CB 3.21Å; V110-K114 VanDerWaalsContact O-CG 3.26Å; V110-K114 WeakPolarHBondContact O-CG 3.47Å; V110-K114 PolarHBondContact O-N 2.87Å; S111-K114 PolarHBondContact O-N 3.42Å; H112-K114 VanDerWaalsContact C-N 3.34Å; H112-K114 PolarHBondContact O-N 2.93Å; K114-R117 CarbonylContact O-C 3.59Å; K114-R117 PolarHBondContact O-N 3.45Å; K114-G118 WeakPolarHBondContact O-CA 3.4Å; K114-G118 PolarHBondContact O-N 3.18Å |
| 115 | S | 77.3 | Confident | 69.3 | Low | 89 Ų | 89 | 97.4 Ų | 97.4 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.1 | -48 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 111 | S111 H112 R117 G118 | S111-S115 WeakPolarHBondContact O-CB 3.42Å; S111-S115 PolarHBondContact O-N 3.43Å; H112-S115 PolarHBondContact O-N 3.06Å; S115-R117 PolarHBondContact O-N 3.23Å; S115-G118 PolarHBondContact O-N 3.18Å; S115-G118 VanDerWaalsContact O-N 3.09Å |
| 116 | M | 69.6 | Low | 67.2 | Low | 126 Ų | 126 | 100.2 Ų | 100.2 | 62% | 0.621 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -31.6 | 174.8 | -68.6 | -169 | -57.1 | 0 | 0 | 113 | H112 M113 | H112-M116 PolarHBondContact CE1-SD 2.99Å; H112-M116 WeakPolarHBondContact O-CG 3.36Å; H112-M116 PolarHBondContact O-N 2.98Å; M113-M116 HydrophobicContact CG-CE 4.22Å |
| 117 | R | 68.1 | Low | 64.6 | Low | 157 Ų | 157 | 99.9 Ų | 99.9 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 2.1 | 177.8 | -69.6 | 175.9 | 177.4 | -86 | -6.7 | 113.8 | M113 K114 S115 S131 | M113-R117 VanDerWaalsContact O-CB 3.23Å; M113-R117 WeakPolarHBondContact O-CB 3.26Å; M113-R117 WeakPolarHBondContact O-CG 3.41Å; M113-R117 PolarHBondContact O-N 2.89Å; K114-R117 CarbonylContact O-C 3.59Å; K114-R117 PolarHBondContact O-N 3.45Å; S115-R117 PolarHBondContact O-N 3.23Å; R117-S131 VanDerWaalsContact NH1-CB 3.29Å; R117-S131 PolarHBondContact NH1-OG 2.8Å |
| 118 | G | 54.8 | Low | 62.4 | Low | 48 Ų | 48 | 100 Ų | 100 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | trans | -124.8 | 61.2 | -157.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | K114 S115 | K114-G118 WeakPolarHBondContact O-CA 3.4Å; K114-G118 PolarHBondContact O-N 3.18Å; S115-G118 PolarHBondContact O-N 3.18Å; S115-G118 VanDerWaalsContact O-N 3.09Å | ||
| 119 | T | 47.6 | Very low | 60.2 | Low | 153 Ų | 153 | 103.7 Ų | 103.7 | 94% | 0.939 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -148.5 | 29 | 152.8 | -37.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 120 | G | 51.1 | Low | 57.9 | Low | 48 Ų | 48 | 104.8 Ų | 104.8 | 50% | 0.495 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -178.7 | 135.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 121 | N | 45.9 | Very low | 56 | Low | 100 Ų | 100 | 105.3 Ų | 105.3 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | trans | 90.1 | 73.2 | 172 | -56.1 | 80.8 | 0 | 0 | 0 | 117.4 | S123 K129 | N121-S123 VanDerWaalsContact C-N 3.29Å; N121-K129 PolarHBondContact OD1-NZ 2.91Å | ||
| 122 | K | 41 | Very low | 54.4 | Low | 219 Ų | 219 | 110.5 Ų | 110.5 | 95% | 0.952 | 61% | 0.611 | S | S | * | * | trans | -94.9 | 59.8 | 137.3 | -66.7 | -167.8 | -179.3 | -167.7 | 0 | 109.2 | ||||
| 123 | S | 34.9 | Very low | 53.1 | Low | 88 Ų | 88 | 110.7 Ų | 110.7 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | trans | -118.3 | 111.5 | 174.3 | -57 | 0 | 0 | 0 | 0 | 107.5 | N121 D125 | N121-S123 VanDerWaalsContact C-N 3.29Å; S123-D125 VanDerWaalsContact C-N 3.34Å; S123-D125 PolarHBondContact O-N 3.38Å | ||
| 124 | T | 41.3 | Very low | 52.1 | Low | 142 Ų | 142 | 110.2 Ų | 110.2 | 87% | 0.871 | 62% | 0.615 | S | S | * | * | trans | -62.5 | 91.3 | 165.1 | 47.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 125 | D | 35.8 | Very low | 51.1 | Low | 152 Ų | 152 | 106.4 Ų | 106.4 | 81% | 0.813 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -168.4 | 148.1 | 142.7 | -135.1 | -15.9 | 0 | 0 | 0 | 108.6 | S123 A127 | S123-D125 VanDerWaalsContact C-N 3.34Å; S123-D125 PolarHBondContact O-N 3.38Å; D125-A127 PolarHBondContact O-N 2.79Å |
| 126 | G | 48.6 | Very low | 50.4 | Low | 68 Ų | 68 | 108 Ų | 108 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | trans | -51.6 | 80 | -164.5 | 0 | 0 | 0 | 0 | 0 | 117 | Y128 | G126-Y128 PolarHBondContact O-N 3.31Š| ||
| 127 | A | 38.7 | Very low | 50.3 | Low | 69 Ų | 69 | 106.6 Ų | 106.6 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | trans | -86.3 | 110.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D125 K129 | D125-A127 PolarHBondContact O-N 2.79Å; A127-K129 PolarHBondContact O-N 2.78Å | ||
| 128 | Y | 46.3 | Very low | 50.2 | Low | 164 Ų | 164 | 99.8 Ų | 99.8 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | trans | -59.1 | 50.6 | 166 | -75 | -84.6 | 0 | 0 | 0 | 114.2 | G126 P130 A376 | G126-Y128 PolarHBondContact O-N 3.31Å; Y128-P130 WeakPolarHBondContact O-CD 3.12Å; Y128-A376 HydrophobicContact CD1-CB 3.19Å; Y128-A376 HydrophobicContact CE1-CB 3.39Å; Y128-A376 HydrophobicContact CG-CB 3.88Å | ||
| 129 | K | 43.6 | Very low | 50.7 | Low | 120 Ų | 120 | 99.1 Ų | 99.1 | 52% | 0.522 | 55% | 0.548 | S | S | . | . | trans | -90.2 | 106.4 | 179.5 | -111.4 | -177 | 169.9 | -178.8 | 0 | 110.3 | N121 A127 S131 | N121-K129 PolarHBondContact OD1-NZ 2.91Å; A127-K129 PolarHBondContact O-N 2.78Å; K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 3.4Å | ||
| 130 | P | 44.4 | Very low | 51.6 | Low | 28 Ų | 28 | 96.1 Ų | 96.1 | 18% | 0.182 | 52% | 0.523 | C | S | . | . | trans | -72.8 | 92.3 | 165.2 | 33.3 | -32 | 0 | 0 | 0 | 106.7 | Y128 F132 K377 | Y128-P130 WeakPolarHBondContact O-CD 3.12Å; P130-F132 PolarHBondContact O-N 3.48Å; P130-K377 HydrophobicContact CG-CG 4.3Å | ||
| 131 | S | 50 | Low | 52.4 | Low | 75 Ų | 75 | 98 Ų | 98 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 26.6 | -175 | 46.3 | 0 | 0 | 0 | 0 | 114.7 | R117 K129 | R117-S131 VanDerWaalsContact NH1-CB 3.29Å; R117-S131 PolarHBondContact NH1-OG 2.8Å; K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 3.4Å |
| 132 | F | 54.1 | Low | 53.4 | Low | 186 Ų | 186 | 95.3 Ų | 95.3 | 82% | 0.816 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -27.9 | -179.7 | -172.9 | -105.1 | 0 | 0 | 0 | 113.5 | P130 | P130-F132 PolarHBondContact O-N 3.48Š|
| 133 | L | 55.7 | Low | 54.5 | Low | 53 Ų | 53 | 85.9 Ų | 85.9 | 28% | 0.277 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -122.2 | 132.2 | 176.6 | -64.7 | 172.5 | 0 | 0 | 0 | 108.1 | E137 L138 L141 | L133-E137 HydrophobicContact CB-CB 4.3Å; L133-E137 HydrophobicContact CD2-CB 4.23Å; L133-L138 HydrophobicContact CD1-CD1 4.4Å; L133-L141 HydrophobicContact CD1-CD2 3.84Å |
| 134 | T | 64.1 | Low | 56.1 | Low | 80 Ų | 80 | 87.6 Ų | 87.6 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | trans | -61.6 | 156 | 165.6 | 62.9 | 0 | 0 | 0 | 0 | 109.3 | Q136 E137 L138 | T134-Q136 PolarHBondContact O-N 3.16Å; T134-E137 WeakPolarHBondContact CB-OE2 3.28Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E137 PolarHBondContact N-OE2 3.46Å; T134-E137 PolarHBondContact O-N 3.02Å; T134-E137 VanDerWaalsContact O-N 3.09Å; T134-E137 WeakPolarHBondContact OG1-CB 3.39Å; T134-E137 WeakPolarHBondContact OG1-CG 3.41Å; T134-E137 PolarHBondContact OG1-N 3.2Å; T134-E137 PolarHBondContact OG1-OE2 3.37Å; T134-L138 PolarHBondContact O-N 2.88Å | ||
| 135 | E | 61.3 | Low | 56.9 | Low | 69 Ų | 69 | 84.5 Ų | 84.5 | 32% | 0.322 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.9 | -34.5 | 179 | 179.1 | 154.2 | -138.3 | 0 | 0 | 113 | L138 K139 S384 | E135-L138 PolarHBondContact O-N 2.97Å; E135-K139 WeakPolarHBondContact O-CB 3.41Å; E135-K139 PolarHBondContact O-N 3.35Å; E135-S384 WeakPolarHBondContact OE1-CB 3.25Å; E135-S384 PolarHBondContact OE1-OG 3.44Å; E135-S384 WeakPolarHBondContact OE2-CB 3.46Å; E135-S384 PolarHBondContact OE2-OG 3.48Å |
| 136 | Q | 61.3 | Low | 58.1 | Low | 122 Ų | 122 | 77.9 Ų | 77.9 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | 175.7 | -167.8 | 67.4 | 0.2 | 0 | 0 | 112.1 | T134 H140 | T134-Q136 PolarHBondContact O-N 3.16Å; Q136-H140 WeakPolarHBondContact O-CB 2.98Å; Q136-H140 PolarHBondContact O-N 3.27Å |
| 137 | E | 67.6 | Low | 58.9 | Low | 98 Ų | 98 | 77.9 Ų | 77.9 | 46% | 0.458 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 174.4 | -72.2 | 164.7 | 143.1 | 0 | 0 | 111.6 | L133 T134 H140 L141 | L133-E137 HydrophobicContact CB-CB 4.3Å; L133-E137 HydrophobicContact CD2-CB 4.23Å; T134-E137 WeakPolarHBondContact CB-OE2 3.28Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E137 PolarHBondContact N-OE2 3.46Å; T134-E137 PolarHBondContact O-N 3.02Å; T134-E137 VanDerWaalsContact O-N 3.09Å; T134-E137 WeakPolarHBondContact OG1-CB 3.39Å; T134-E137 WeakPolarHBondContact OG1-CG 3.41Å; T134-E137 PolarHBondContact OG1-N 3.2Å; T134-E137 PolarHBondContact OG1-OE2 3.37Å; E137-H140 PolarHBondContact O-N 3.38Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 PolarHBondContact O-N 3.39Å |
| 138 | L | 65.6 | Low | 60.9 | Low | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 176.5 | -177.8 | 63.3 | 0 | 0 | 0 | 111 | L133 T134 E135 L141 I142 K377 | L133-L138 HydrophobicContact CD1-CD1 4.4Å; T134-L138 PolarHBondContact O-N 2.88Å; E135-L138 PolarHBondContact O-N 2.97Å; L138-L141 PolarHBondContact O-N 2.81Å; L138-I142 HydrophobicContact CD1-CD1 3.78Å; L138-I142 HydrophobicContact CD1-CG1 4.1Å; L138-I142 HydrophobicContact CG-CD1 3.78Å; L138-I142 HydrophobicContact CG-CG1 4.44Å; L138-I142 WeakPolarHBondContact O-CB 3.26Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 3.13Å; L138-K377 HydrophobicContact CD1-CD 4.38Å; L138-K377 HydrophobicContact CD2-CB 4.49Å; L138-K377 HydrophobicContact CD2-CD 4.32Å; L138-K377 HydrophobicContact CD2-CG 4.4Å |
| 139 | K | 65.9 | Low | 62.7 | Low | 34 Ų | 34 | 66.9 Ų | 66.9 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.4 | -52 | 172.2 | 178.8 | -174.4 | 170.9 | -163.8 | 0 | 109.8 | E135 L141 I142 L143 S164 D165 | E135-K139 WeakPolarHBondContact O-CB 3.41Å; E135-K139 PolarHBondContact O-N 3.35Å; K139-L141 PolarHBondContact O-N 3.24Å; K139-I142 PolarHBondContact O-N 2.99Å; K139-L143 HydrophobicContact CD-CD1 4.31Å; K139-L143 HydrophobicContact CG-CD1 3.4Å; K139-L143 VanDerWaalsContact CG-CD1 3.4Å; K139-L143 HydrophobicContact CG-CG 4.47Å; K139-L143 VanDerWaalsContact O-CB 3.28Å; K139-L143 WeakPolarHBondContact O-CB 3.02Å; K139-L143 WeakPolarHBondContact O-CD1 3.01Å; K139-L143 WeakPolarHBondContact O-CG 3.17Å; K139-L143 PolarHBondContact O-N 2.91Å; K139-S164 WeakPolarHBondContact CE-OG 3.28Å; K139-D165 WeakPolarHBondContact CE-OD1 3.22Å; K139-D165 IonicContact NZ-OD1 3.99Å; K139-D165 PolarHBondContact NZ-OD1 2.83Å; K139-D165 IonicContact NZ-OD2 3.47Å; K139-D165 PolarHBondContact NZ-OD2 3.17Å |
| 140 | H | 66.7 | Low | 64.7 | Low | 89 Ų | 89 | 61.8 Ų | 61.8 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 179.7 | -162.1 | 63.9 | 0 | 0 | 0 | 112.3 | Q136 E137 L143 E144 | Q136-H140 WeakPolarHBondContact O-CB 2.98Å; Q136-H140 PolarHBondContact O-N 3.27Å; E137-H140 PolarHBondContact O-N 3.38Å; H140-L143 PolarHBondContact O-N 3.3Å; H140-E144 IonicContact CD2-OE2 3.49Å; H140-E144 IonicContact NE2-OE2 3.72Å; H140-E144 WeakPolarHBondContact O-CB 3.39Å; H140-E144 PolarHBondContact O-N 3.42Å |
| 141 | L | 68.5 | Low | 66.8 | Low | 87 Ų | 87 | 60.5 Ų | 60.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | -178.8 | -179.5 | 65.4 | 0 | 0 | 0 | 112.1 | L133 E137 L138 K139 A145 | L133-L141 HydrophobicContact CD1-CD2 3.84Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 PolarHBondContact O-N 3.39Å; L138-L141 PolarHBondContact O-N 2.81Å; K139-L141 PolarHBondContact O-N 3.24Å; L141-A145 WeakPolarHBondContact O-CB 3.21Å; L141-A145 PolarHBondContact O-N 3.25Å |
| 142 | I | 66.9 | Low | 68.6 | Low | 45 Ų | 45 | 57.2 Ų | 57.2 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 176 | -67.9 | 169.5 | 0 | 0 | 0 | 109.3 | L138 K139 E144 A146 I314 L381 | L138-I142 HydrophobicContact CD1-CD1 3.78Å; L138-I142 HydrophobicContact CD1-CG1 4.1Å; L138-I142 HydrophobicContact CG-CD1 3.78Å; L138-I142 HydrophobicContact CG-CG1 4.44Å; L138-I142 WeakPolarHBondContact O-CB 3.26Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 3.13Å; K139-I142 PolarHBondContact O-N 2.99Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.49Å; I142-A146 HydrophobicContact CG2-CB 4.48Å; I142-A146 WeakPolarHBondContact O-CA 3.19Å; I142-A146 WeakPolarHBondContact O-CB 3.34Å; I142-A146 PolarHBondContact O-N 2.64Å; I142-I314 HydrophobicContact CG2-CD1 4.4Å; I142-L381 HydrophobicContact CD1-CD1 4.18Å |
| 143 | L | 64.3 | Low | 70.2 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.6 | -31.7 | -176.9 | -62.9 | 165.4 | 0 | 0 | 0 | 112.1 | K139 H140 D147 G148 S166 | K139-L143 HydrophobicContact CD-CD1 4.31Å; K139-L143 HydrophobicContact CG-CD1 3.4Å; K139-L143 VanDerWaalsContact CG-CD1 3.4Å; K139-L143 HydrophobicContact CG-CG 4.47Å; K139-L143 VanDerWaalsContact O-CB 3.28Å; K139-L143 WeakPolarHBondContact O-CB 3.02Å; K139-L143 WeakPolarHBondContact O-CD1 3.01Å; K139-L143 WeakPolarHBondContact O-CG 3.17Å; K139-L143 PolarHBondContact O-N 2.91Å; H140-L143 PolarHBondContact O-N 3.3Å; L143-D147 WeakPolarHBondContact O-CA 3.35Å; L143-D147 PolarHBondContact O-N 2.95Å; L143-D147 VanDerWaalsContact O-N 3.15Å; L143-G148 WeakPolarHBondContact CD2-O 3.31Å; L143-S166 VanDerWaalsContact CD1-OG 3.23Å; L143-S166 WeakPolarHBondContact CD1-OG 3.42Å |
| 144 | E | 66.6 | Low | 71.7 | Confident | 124 Ų | 124 | 46 Ų | 46 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -76.6 | -44.2 | 175.1 | -173.4 | 175.9 | -165.1 | 0 | 0 | 112.3 | H140 I142 | H140-E144 IonicContact CD2-OE2 3.49Å; H140-E144 IonicContact NE2-OE2 3.72Å; H140-E144 WeakPolarHBondContact O-CB 3.39Å; H140-E144 PolarHBondContact O-N 3.42Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.49Å |
| 145 | A | 59.5 | Low | 72.6 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -76.3 | -26.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L141 | L141-A145 WeakPolarHBondContact O-CB 3.21Å; L141-A145 PolarHBondContact O-N 3.25Å |
| 146 | A | 60.1 | Low | 73.5 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -98.4 | -11.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | I142 G148 R316 | I142-A146 HydrophobicContact CG2-CB 4.48Å; I142-A146 WeakPolarHBondContact O-CA 3.19Å; I142-A146 WeakPolarHBondContact O-CB 3.34Å; I142-A146 PolarHBondContact O-N 2.64Å; A146-G148 PolarHBondContact O-N 3.31Å; A146-R316 VanDerWaalsContact CA-NH2 3.32Å; A146-R316 HydrophobicContact CB-CG 4.37Å; A146-R316 PolarHBondContact O-NE 3.18Å; A146-R316 PolarHBondContact O-NH2 2.95Å |
| 147 | D | 66.8 | Low | 74.6 | Confident | 68 Ų | 68 | 42.7 Ų | 42.7 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 45.6 | -171.2 | -76.1 | -28.4 | 0 | 0 | 0 | 111.9 | L143 R262 L317 | L143-D147 WeakPolarHBondContact O-CA 3.35Å; L143-D147 PolarHBondContact O-N 2.95Å; L143-D147 VanDerWaalsContact O-N 3.15Å; D147-R262 IonicContact OD1-CZ 3.55Å; D147-R262 IonicContact OD1-NH1 2.93Å; D147-R262 PolarHBondContact OD1-NH1 2.95Å; D147-R262 IonicContact OD2-NH1 2.86Å; D147-R262 PolarHBondContact OD2-NH1 3.16Å; D147-L317 PolarHBondContact O-N 2.61Å |
| 148 | G | 80.4 | Confident | 75.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 179 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L143 A146 G315 | L143-G148 WeakPolarHBondContact CD2-O 3.31Å; A146-G148 PolarHBondContact O-N 3.31Å; G148-G315 CarbonylContact C-O 3.49Å; G148-G315 WeakPolarHBondContact CA-O 3.44Å |
| 149 | F | 84.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.9 | 174.4 | 67.1 | -81.6 | 0 | 0 | 0 | 110.5 | F151 V163 V167 V170 L171 W178 M241 V280 I314 G315 | F149-F151 HydrophobicContact CD2-CB 4.4Å; F149-F151 AromaticContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CE2-CB 4.29Å; F149-F151 AromaticContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CD1 3.42Å; F149-F151 VanDerWaalsContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CE1 4.09Å; F149-F151 HydrophobicContact CE2-CG 4.16Å; F149-F151 HydrophobicContact CZ-CD1 4.12Å; F149-F151 HydrophobicContact CZ-CE1 4.35Å; F149-V163 HydrophobicContact CD2-CG2 4.26Å; F149-V167 HydrophobicContact CB-CB 4.4Å; F149-V167 HydrophobicContact CD2-CB 4.21Å; F149-V167 HydrophobicContact CD2-CG2 4.13Å; F149-V167 HydrophobicContact CE2-CG2 4.28Å; F149-V167 HydrophobicContact CG-CB 4.33Å; F149-V167 HydrophobicContact CG-CG2 4.41Å; F149-V170 HydrophobicContact CD1-CB 4.08Å; F149-V170 HydrophobicContact CD1-CG1 3.83Å; F149-V170 HydrophobicContact CE1-CG1 4.27Å; F149-L171 HydrophobicContact CD1-CD1 4.48Å; F149-L171 HydrophobicContact CE1-CD1 3.57Å; F149-L171 HydrophobicContact CE1-CG 4Å; F149-L171 HydrophobicContact CE2-CD1 4.45Å; F149-L171 HydrophobicContact CZ-CD1 3.55Å; F149-L171 HydrophobicContact CZ-CG 4.46Å; F149-W178 AromaticContact CE2-CH2 3.99Å; F149-W178 HydrophobicContact CE2-CH2 3.99Å; F149-W178 AromaticContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CZ-CH2 4Å; F149-W178 HydrophobicContact CZ-CZ3 4.44Å; F149-M241 HydrophobicContact CE1-SD 4.29Å; F149-M241 HydrophobicContact CZ-CE 4.34Å; F149-M241 HydrophobicContact CZ-SD 3.7Å; F149-V280 HydrophobicContact CE1-CG1 4.19Å; F149-I314 CarbonylContact O-C 3.41Å; F149-I314 WeakPolarHBondContact O-CA 3.49Å; F149-G315 WeakPolarHBondContact CD1-O 3.34Å; F149-G315 PolarHBondContact N-O 3.33Å; F149-G315 PolarHBondContact O-N 3.05Å |
| 150 | L | 85.3 | Confident | 77.4 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 137 | 176.3 | 178.4 | 70.3 | 0 | 0 | 0 | 109.8 | Y162 S164 V312 I314 W378 L381 | L150-Y162 HydrophobicContact CD2-CE1 4.15Å; L150-Y162 HydrophobicContact CG-CE1 4.48Å; L150-S164 PolarHBondContact O-N 3.48Å; L150-V312 HydrophobicContact CD1-CG1 4.29Å; L150-I314 HydrophobicContact CD1-CG1 3.82Å; L150-W378 HydrophobicContact CD1-CH2 3.2Å; L150-W378 HydrophobicContact CD1-CZ2 4.05Å; L150-W378 HydrophobicContact CD1-CZ3 3.54Å; L150-L381 HydrophobicContact CD2-CD2 4.37Å |
| 151 | F | 87.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 152.4 | 173.5 | 66.8 | -92.7 | 0 | 0 | 0 | 112.2 | F149 V153 Y162 V163 L183 M241 C282 A313 | F149-F151 HydrophobicContact CD2-CB 4.4Å; F149-F151 AromaticContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CE2-CB 4.29Å; F149-F151 AromaticContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CD1 3.42Å; F149-F151 VanDerWaalsContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CE1 4.09Å; F149-F151 HydrophobicContact CE2-CG 4.16Å; F149-F151 HydrophobicContact CZ-CD1 4.12Å; F149-F151 HydrophobicContact CZ-CE1 4.35Å; F151-V153 HydrophobicContact CD2-CG1 3.9Å; F151-V153 HydrophobicContact CE2-CG1 4.24Å; F151-Y162 CarbonylContact C-O 3.49Å; F151-Y162 VanDerWaalsContact CA-O 3.26Å; F151-Y162 WeakPolarHBondContact CA-O 2.97Å; F151-V163 HydrophobicContact CB-CG2 4.43Å; F151-L183 HydrophobicContact CE2-CD1 4.4Å; F151-L183 HydrophobicContact CE2-CD2 4.09Å; F151-M241 HydrophobicContact CE1-CE 4.41Å; F151-M241 HydrophobicContact CZ-CE 4.35Å; F151-C282 HydrophobicContact CZ-CB 4.21Å; F151-A313 HydrophobicContact CE1-CB 4.03Å; F151-A313 HydrophobicContact CE2-CB 3.9Å; F151-A313 HydrophobicContact CZ-CB 3.63Å; F151-A313 PolarHBondContact N-O 2.85Å; F151-A313 PolarHBondContact O-N 3.24Å; F151-A313 VanDerWaalsContact O-O 3.11Å |
| 152 | V | 87.2 | Confident | 79.1 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.4 | 175.3 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | I161 Y162 C310 L311 V312 | V152-I161 HydrophobicContact CB-CB 4.39Å; V152-I161 HydrophobicContact CG1-CB 4.17Å; V152-I161 HydrophobicContact CG1-CD1 4.28Å; V152-I161 PolarHBondContact O-N 2.79Å; V152-Y162 HydrophobicContact CG2-CD1 4.13Å; V152-Y162 HydrophobicContact CG2-CG 4.37Å; V152-Y162 PolarHBondContact N-O 3.39Å; V152-Y162 PolarHBondContact O-N 2.88Å; V152-C310 HydrophobicContact CG1-CB 3.96Å; V152-L311 WeakPolarHBondContact CA-O 2.75Å; V152-V312 HydrophobicContact CG1-CG2 4.35Å; V152-V312 HydrophobicContact CG2-CG1 3.67Å; V152-V312 HydrophobicContact CG2-CG2 4.49Å |
| 153 | V | 88.8 | Confident | 80 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.7 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | F151 A155 R159 V160 L183 L199 C310 L311 | F151-V153 HydrophobicContact CD2-CG1 3.9Å; F151-V153 HydrophobicContact CE2-CG1 4.24Å; V153-A155 PolarHBondContact O-N 2.77Å; V153-R159 CarbonylContact C-O 3.6Å; V153-R159 VanDerWaalsContact CA-O 3.24Å; V153-R159 WeakPolarHBondContact CA-O 3.15Å; V153-V160 HydrophobicContact CG1-CB 4.41Å; V153-V160 HydrophobicContact CG1-CG2 3.92Å; V153-L183 HydrophobicContact CG1-CB 4.11Å; V153-L183 HydrophobicContact CG1-CD1 4.49Å; V153-L183 HydrophobicContact CG1-CD2 4.08Å; V153-L183 HydrophobicContact CG1-CG 4.46Å; V153-L183 HydrophobicContact CG2-CD2 4.14Å; V153-L199 HydrophobicContact CG2-CD2 3.8Å; V153-C310 CarbonylContact O-C 3.5Å; V153-C310 WeakPolarHBondContact O-CA 3.47Å; V153-C310 VanDerWaalsContact O-CB 3.25Å; V153-C310 WeakPolarHBondContact O-CB 3.44Å; V153-L311 HydrophobicContact CG2-CB 3.79Å; V153-L311 HydrophobicContact CG2-CD2 4.26Å; V153-L311 HydrophobicContact CG2-CG 4.44Å; V153-L311 PolarHBondContact N-O 2.99Å; V153-L311 PolarHBondContact O-N 3.48Å |
| 154 | A | 86.8 | Confident | 80.9 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 128.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | E156 T157 G158 R159 I161 | A154-E156 VanDerWaalsContact C-N 3.29Å; A154-E156 PolarHBondContact O-N 3.25Å; A154-T157 VanDerWaalsContact CB-OG1 3.31Å; A154-T157 WeakPolarHBondContact CB-OG1 3.42Å; A154-G158 WeakPolarHBondContact O-CA 3.47Å; A154-G158 PolarHBondContact O-N 2.84Å; A154-R159 HydrophobicContact CB-CB 4.43Å; A154-R159 PolarHBondContact N-O 2.93Å; A154-I161 HydrophobicContact CB-CD1 4.16Å |
| 155 | A | 83.1 | Confident | 81.5 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -28 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V153 Y309 | V153-A155 PolarHBondContact O-N 2.77Å; A155-Y309 WeakPolarHBondContact CB-O 3.29Å; A155-Y309 PolarHBondContact N-O 3.29Å |
| 156 | E | 81.2 | Confident | 82.4 | Confident | 133 Ų | 133 | 30 Ų | 30 | 62% | 0.621 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -46.5 | -177.1 | -172.4 | 165.7 | 161.1 | 0 | 0 | 112.4 | A154 G306 | A154-E156 VanDerWaalsContact C-N 3.29Å; A154-E156 PolarHBondContact O-N 3.25Å; E156-G306 VanDerWaalsContact CB-O 3.28Å; E156-G306 WeakPolarHBondContact CB-O 3.42Å; E156-G306 VanDerWaalsContact CD-C 3.41Å; E156-G306 VanDerWaalsContact CD-CA 3.41Å; E156-G306 WeakPolarHBondContact CG-O 3.26Å; E156-G306 WeakPolarHBondContact OE1-CA 3.43Å; E156-G306 WeakPolarHBondContact OE2-CA 3.35Å |
| 157 | T | 82.6 | Confident | 83.4 | Confident | 59 Ų | 59 | 29.3 Ų | 29.3 | 36% | 0.362 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -14.5 | -176.4 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | A154 R159 | A154-T157 VanDerWaalsContact CB-OG1 3.31Å; A154-T157 WeakPolarHBondContact CB-OG1 3.42Å; T157-R159 PolarHBondContact O-N 2.83Å; T157-R159 WeakPolarHBondContact OG1-CB 3.15Å; T157-R159 PolarHBondContact OG1-N 2.85Å |
| 158 | G | 83.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | 67.2 | 9.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A154 T182 L183 | A154-G158 WeakPolarHBondContact O-CA 3.47Å; A154-G158 PolarHBondContact O-N 2.84Å; G158-T182 WeakPolarHBondContact O-CA 3.43Å; G158-L183 PolarHBondContact O-N 3.02Å | ||
| 159 | R | 86.8 | Confident | 83.8 | Confident | 134 Ų | 134 | 30 Ų | 30 | 51% | 0.506 | 15% | 0.153 | S | C | . | . | B | Isolated β-bridge | trans | -69.2 | 133.2 | -177.1 | -165.5 | 178.7 | -153.9 | -175.6 | 4.8 | 111.1 | V153 A154 T157 I161 | V153-R159 CarbonylContact C-O 3.6Å; V153-R159 VanDerWaalsContact CA-O 3.24Å; V153-R159 WeakPolarHBondContact CA-O 3.15Å; A154-R159 HydrophobicContact CB-CB 4.43Å; A154-R159 PolarHBondContact N-O 2.93Å; T157-R159 PolarHBondContact O-N 2.83Å; T157-R159 WeakPolarHBondContact OG1-CB 3.15Å; T157-R159 PolarHBondContact OG1-N 2.85Å; R159-I161 PolarHBondContact O-N 3.43Å |
| 160 | V | 88 | Confident | 83.5 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 115.9 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | V153 V163 W178 S181 | V153-V160 HydrophobicContact CG1-CB 4.41Å; V153-V160 HydrophobicContact CG1-CG2 3.92Å; V160-V163 HydrophobicContact CG1-CB 4.38Å; V160-W178 VanDerWaalsContact CB-O 3.3Å; V160-W178 WeakPolarHBondContact CB-O 3.25Å; V160-W178 HydrophobicContact CG2-CE3 4.34Å; V160-S181 WeakPolarHBondContact CG2-O 2.92Å; V160-S181 PolarHBondContact N-O 2.99Å |
| 161 | I | 85.7 | Confident | 83.1 | Confident | 54 Ų | 54 | 30.2 Ų | 30.2 | 28% | 0.277 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -38.6 | 178.2 | -58.8 | 170.3 | 0 | 0 | 0 | 109.9 | V152 A154 R159 F179 W289 C310 | V152-I161 HydrophobicContact CB-CB 4.39Å; V152-I161 HydrophobicContact CG1-CB 4.17Å; V152-I161 HydrophobicContact CG1-CD1 4.28Å; V152-I161 PolarHBondContact O-N 2.79Å; A154-I161 HydrophobicContact CB-CD1 4.16Å; R159-I161 PolarHBondContact O-N 3.43Å; I161-F179 WeakPolarHBondContact O-CE1 3.17Å; I161-W289 HydrophobicContact CD1-CD2 4.39Å; I161-W289 HydrophobicContact CD1-CG 4.39Å; I161-W289 HydrophobicContact CG2-CH2 4.39Å; I161-W289 HydrophobicContact CG2-CZ2 4.02Å; I161-C310 HydrophobicContact CD1-CB 4.3Å |
| 162 | Y | 85.2 | Confident | 82.7 | Confident | 40 Ų | 40 | 30.7 Ų | 30.7 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 144.7 | -178.2 | 177 | -93.2 | 0 | 0 | 0 | 111.5 | L150 F151 V152 F179 C385 | L150-Y162 HydrophobicContact CD2-CE1 4.15Å; L150-Y162 HydrophobicContact CG-CE1 4.48Å; F151-Y162 CarbonylContact C-O 3.49Å; F151-Y162 VanDerWaalsContact CA-O 3.26Å; F151-Y162 WeakPolarHBondContact CA-O 2.97Å; V152-Y162 HydrophobicContact CG2-CD1 4.13Å; V152-Y162 HydrophobicContact CG2-CG 4.37Å; V152-Y162 PolarHBondContact N-O 3.39Å; V152-Y162 PolarHBondContact O-N 2.88Å; Y162-F179 HydrophobicContact CD2-CZ 4.5Å; Y162-C385 HydrophobicContact CD2-CB 4.44Å; Y162-C385 VanDerWaalsContact CE1-SG 3.53Å; Y162-C385 HydrophobicContact CE2-CB 4.41Å; Y162-C385 VanDerWaalsContact CZ-SG 3.57Å |
| 163 | V | 85.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.8 | 172.2 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | F149 F151 V160 V167 Q175 W178 F179 | F149-V163 HydrophobicContact CD2-CG2 4.26Å; F151-V163 HydrophobicContact CB-CG2 4.43Å; V160-V163 HydrophobicContact CG1-CB 4.38Å; V163-V167 HydrophobicContact CG2-CB 3.77Å; V163-V167 HydrophobicContact CG2-CG1 3.88Å; V163-V167 HydrophobicContact CG2-CG2 4.13Å; V163-Q175 HydrophobicContact CG1-CB 4.13Å; V163-Q175 HydrophobicContact CG1-CG 4.16Å; V163-Q175 PolarHBondContact O-NE2 3.47Å; V163-W178 HydrophobicContact CB-CB 4.37Å; V163-W178 HydrophobicContact CG1-CB 3.82Å; V163-W178 HydrophobicContact CG2-CB 4.47Å; V163-W178 HydrophobicContact CG2-CD2 4.42Å; V163-W178 HydrophobicContact CG2-CE3 4.23Å; V163-F179 HydrophobicContact CG1-CD2 4.05Å; V163-F179 HydrophobicContact CG1-CE2 3.74Å; V163-F179 HydrophobicContact CG1-CZ 4.06Å |
| 164 | S | 83.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | trans | -73.5 | 150.5 | 175 | -165.7 | 0 | 0 | 0 | 0 | 111.9 | K139 L150 S166 V167 | K139-S164 WeakPolarHBondContact CE-OG 3.28Å; L150-S164 PolarHBondContact O-N 3.48Å; S164-S166 PolarHBondContact O-N 3.25Å; S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 VanDerWaalsContact O-CG1 3.31Å; S164-V167 WeakPolarHBondContact O-CG1 3.18Å; S164-V167 PolarHBondContact O-N 3.15Å | ||
| 165 | D | 80.8 | Confident | 82 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -24.7 | 171.2 | 52.2 | -0.4 | 0 | 0 | 0 | 114.1 | K139 V167 T168 P169 Q175 | K139-D165 WeakPolarHBondContact CE-OD1 3.22Å; K139-D165 IonicContact NZ-OD1 3.99Å; K139-D165 PolarHBondContact NZ-OD1 2.83Å; K139-D165 IonicContact NZ-OD2 3.47Å; K139-D165 PolarHBondContact NZ-OD2 3.17Å; D165-V167 PolarHBondContact O-N 3.47Å; D165-T168 PolarHBondContact O-N 2.97Å; D165-P169 VanDerWaalsContact O-CD 3.32Å; D165-P169 WeakPolarHBondContact O-CD 3.39Å; D165-Q175 VanDerWaalsContact CA-CD 3.46Å; D165-Q175 VanDerWaalsContact CA-NE2 3.29Å |
| 166 | S | 77.2 | Confident | 82.1 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -5.2 | 177.5 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | L143 S164 T168 P169 V170 | L143-S166 VanDerWaalsContact CD1-OG 3.23Å; L143-S166 WeakPolarHBondContact CD1-OG 3.42Å; S164-S166 PolarHBondContact O-N 3.25Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å; S166-P169 VanDerWaalsContact C-CD 3.46Å; S166-P169 VanDerWaalsContact O-CD 3.25Å; S166-P169 WeakPolarHBondContact O-CD 3.12Å; S166-P169 VanDerWaalsContact O-CG 3.29Å; S166-P169 WeakPolarHBondContact O-CG 3.48Å; S166-V170 WeakPolarHBondContact O-CB 3.23Å; S166-V170 WeakPolarHBondContact O-CG2 3.38Å; S166-V170 PolarHBondContact O-N 3.03Å; S166-V170 VanDerWaalsContact O-N 3.15Å |
| 167 | V | 81.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 168.9 | 71.5 | 0 | 0 | 0 | 0 | 112 | F149 V163 S164 D165 V170 L171 N172 Q175 W178 | F149-V167 HydrophobicContact CB-CB 4.4Å; F149-V167 HydrophobicContact CD2-CB 4.21Å; F149-V167 HydrophobicContact CD2-CG2 4.13Å; F149-V167 HydrophobicContact CE2-CG2 4.28Å; F149-V167 HydrophobicContact CG-CB 4.33Å; F149-V167 HydrophobicContact CG-CG2 4.41Å; V163-V167 HydrophobicContact CG2-CB 3.77Å; V163-V167 HydrophobicContact CG2-CG1 3.88Å; V163-V167 HydrophobicContact CG2-CG2 4.13Å; S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 VanDerWaalsContact O-CG1 3.31Å; S164-V167 WeakPolarHBondContact O-CG1 3.18Å; S164-V167 PolarHBondContact O-N 3.15Å; D165-V167 PolarHBondContact O-N 3.47Å; V167-V170 PolarHBondContact O-N 3.06Å; V167-L171 HydrophobicContact CG2-CB 4.37Å; V167-L171 HydrophobicContact CG2-CD1 4.31Å; V167-L171 PolarHBondContact O-N 2.54Å; V167-N172 PolarHBondContact O-N 3.06Å; V167-Q175 HydrophobicContact CG1-CG 3.76Å; V167-W178 HydrophobicContact CG2-CD2 4.08Å; V167-W178 HydrophobicContact CG2-CG 4.36Å; V167-W178 HydrophobicContact CG2-CZ2 4.12Å |
| 168 | T | 81.3 | Confident | 82.3 | Confident | 43 Ų | 43 | 33.8 Ų | 33.8 | 26% | 0.264 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64 | -47.9 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | D165 S166 V170 N172 Q173 | D165-T168 PolarHBondContact O-N 2.97Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å; T168-V170 VanDerWaalsContact C-N 3.34Å; T168-V170 PolarHBondContact O-N 2.94Å; T168-N172 WeakPolarHBondContact O-CA 3.28Å; T168-N172 PolarHBondContact O-N 3.07Å; T168-Q173 VanDerWaalsContact CA-O 3.25Å; T168-Q173 WeakPolarHBondContact CA-O 3.42Å; T168-Q173 PolarHBondContact OG1-O 3.19Å |
| 169 | P | 75.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.7 | -26.4 | 174.1 | 23.1 | -32.2 | 0 | 0 | 0 | 115.1 | D165 S166 M259 | D165-P169 VanDerWaalsContact O-CD 3.32Å; D165-P169 WeakPolarHBondContact O-CD 3.39Å; S166-P169 VanDerWaalsContact C-CD 3.46Å; S166-P169 VanDerWaalsContact O-CD 3.25Å; S166-P169 WeakPolarHBondContact O-CD 3.12Å; S166-P169 VanDerWaalsContact O-CG 3.29Å; S166-P169 WeakPolarHBondContact O-CG 3.48Å; P169-M259 HydrophobicContact CB-CE 3.57Å; P169-M259 HydrophobicContact CB-SD 3.56Å; P169-M259 VanDerWaalsContact CB-SD 3.56Å; P169-M259 WeakPolarHBondContact O-CE 3.36Å |
| 170 | V | 76.8 | Confident | 81.5 | Confident | 18 Ų | 18 | 33.5 Ų | 33.5 | 11% | 0.109 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -87.2 | -46.1 | -175.4 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | F149 S166 V167 T168 L317 | F149-V170 HydrophobicContact CD1-CB 4.08Å; F149-V170 HydrophobicContact CD1-CG1 3.83Å; F149-V170 HydrophobicContact CE1-CG1 4.27Å; S166-V170 WeakPolarHBondContact O-CB 3.23Å; S166-V170 WeakPolarHBondContact O-CG2 3.38Å; S166-V170 PolarHBondContact O-N 3.03Å; S166-V170 VanDerWaalsContact O-N 3.15Å; V167-V170 PolarHBondContact O-N 3.06Å; T168-V170 VanDerWaalsContact C-N 3.34Å; T168-V170 PolarHBondContact O-N 2.94Å; V170-L317 HydrophobicContact CG1-CB 4.08Å |
| 171 | L | 77.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -115.4 | -1.3 | -175.4 | -65.6 | 179.7 | 0 | 0 | 0 | 113.7 | F149 V167 Q173 W178 M241 C243 G244 V280 | F149-L171 HydrophobicContact CD1-CD1 4.48Å; F149-L171 HydrophobicContact CE1-CD1 3.57Å; F149-L171 HydrophobicContact CE1-CG 4Å; F149-L171 HydrophobicContact CE2-CD1 4.45Å; F149-L171 HydrophobicContact CZ-CD1 3.55Å; F149-L171 HydrophobicContact CZ-CG 4.46Å; V167-L171 HydrophobicContact CG2-CB 4.37Å; V167-L171 HydrophobicContact CG2-CD1 4.31Å; V167-L171 PolarHBondContact O-N 2.54Å; L171-Q173 PolarHBondContact O-N 3.27Å; L171-W178 HydrophobicContact CD1-CH2 3.92Å; L171-W178 HydrophobicContact CD1-CZ2 3.5Å; L171-M241 HydrophobicContact CD1-CB 4.1Å; L171-M241 HydrophobicContact CD1-SD 4.01Å; L171-M241 HydrophobicContact CD2-CB 4.33Å; L171-C243 CarbonylContact O-C 3.57Å; L171-C243 WeakPolarHBondContact O-CA 2.97Å; L171-G244 PolarHBondContact O-N 2.95Å; L171-V280 HydrophobicContact CD2-CG2 4.02Å |
| 172 | N | 78.9 | Confident | 81.5 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | trans | 56.9 | 33.2 | -178.8 | -157.5 | 47.8 | 0 | 0 | 0 | 114.4 | V167 T168 G244 A246 L248 F263 | V167-N172 PolarHBondContact O-N 3.06Å; T168-N172 WeakPolarHBondContact O-CA 3.28Å; T168-N172 PolarHBondContact O-N 3.07Å; N172-G244 WeakPolarHBondContact CB-O 3.34Å; N172-G244 PolarHBondContact ND2-O 3.45Å; N172-G244 CarbonylContact O-C 3.42Å; N172-G244 VanDerWaalsContact O-C 3.26Å; N172-G244 VanDerWaalsContact O-CA 3.27Å; N172-G244 WeakPolarHBondContact O-CA 3.49Å; N172-A246 PolarHBondContact ND2-N 3.28Å; N172-A246 VanDerWaalsContact ND2-N 3.2Å; N172-A246 PolarHBondContact ND2-O 3.42Å; N172-A246 WeakPolarHBondContact O-CB 3.31Å; N172-A246 PolarHBondContact O-N 3.42Å; N172-A246 PolarHBondContact OD1-O 3.28Å; N172-L248 WeakPolarHBondContact OD1-CD2 3.49Å; N172-F263 HydrophobicContact CB-CE2 3.55Å; N172-F263 HydrophobicContact CB-CZ 3.39Å | ||
| 173 | Q | 81.8 | Confident | 81.7 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | trans | -109.5 | 140.2 | 172.8 | -70.2 | -72 | 34.7 | 0 | 0 | 109.9 | T168 L171 E177 W178 G244 | T168-Q173 VanDerWaalsContact CA-O 3.25Å; T168-Q173 WeakPolarHBondContact CA-O 3.42Å; T168-Q173 PolarHBondContact OG1-O 3.19Å; L171-Q173 PolarHBondContact O-N 3.27Å; Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.09Å; Q173-E177 PolarHBondContact OE1-OE2 3.27Å; Q173-E177 VanDerWaalsContact OE1-OE2 3.09Å; Q173-W178 VanDerWaalsContact CB-NE1 3.27Å; Q173-G244 VanDerWaalsContact OE1-CA 3.28Å | ||
| 174 | P | 82.4 | Confident | 81.9 | Confident | 43 Ų | 43 | 34 Ų | 34 | 28% | 0.279 | 20% | 0.199 | S | C | . | . | trans | -70.6 | 145.5 | 171.2 | 31.8 | -32.2 | 0 | 0 | 0 | 109.4 | S176 E177 | P174-S176 PolarHBondContact O-N 3.08Å; P174-S176 VanDerWaalsContact O-N 3.17Å; P174-E177 HydrophobicContact CG-CB 4.02Å; P174-E177 PolarHBondContact O-N 3.26Å; P174-E177 VanDerWaalsContact O-N 3.16Å | ||
| 175 | Q | 84.3 | Confident | 82.1 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.8 | -31.6 | 177.4 | -69.2 | -177.3 | -64.3 | 0 | 0 | 112.5 | V163 D165 V167 E177 W178 F179 | V163-Q175 HydrophobicContact CG1-CB 4.13Å; V163-Q175 HydrophobicContact CG1-CG 4.16Å; V163-Q175 PolarHBondContact O-NE2 3.47Å; D165-Q175 VanDerWaalsContact CA-CD 3.46Å; D165-Q175 VanDerWaalsContact CA-NE2 3.29Å; V167-Q175 HydrophobicContact CG1-CG 3.76Å; Q175-E177 PolarHBondContact O-N 3.5Å; Q175-W178 PolarHBondContact O-N 3.31Å; Q175-W178 VanDerWaalsContact O-N 3.08Å; Q175-F179 HydrophobicContact CB-CD2 4.14Å; Q175-F179 HydrophobicContact CB-CE2 4.08Å; Q175-F179 WeakPolarHBondContact O-CD2 3.39Å; Q175-F179 PolarHBondContact O-N 2.94Å |
| 176 | S | 84.9 | Confident | 82.3 | Confident | 93 Ų | 93 | 36.6 Ų | 36.6 | 65% | 0.65 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.9 | -29.7 | -180 | 54 | 0 | 0 | 0 | 0 | 113.7 | P174 | P174-S176 PolarHBondContact O-N 3.08Å; P174-S176 VanDerWaalsContact O-N 3.17Å |
| 177 | E | 84.4 | Confident | 82.9 | Confident | 72 Ų | 72 | 35.8 Ų | 35.8 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -80 | -26.5 | 177 | -172.9 | 177.8 | 152.7 | 0 | 0 | 111.8 | Q173 P174 Q175 S181 | Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.09Å; Q173-E177 PolarHBondContact OE1-OE2 3.27Å; Q173-E177 VanDerWaalsContact OE1-OE2 3.09Å; P174-E177 HydrophobicContact CG-CB 4.02Å; P174-E177 PolarHBondContact O-N 3.26Å; P174-E177 VanDerWaalsContact O-N 3.16Å; Q175-E177 PolarHBondContact O-N 3.5Å; E177-S181 WeakPolarHBondContact O-CB 3.39Å; E177-S181 PolarHBondContact O-OG 3.04Å |
| 178 | W | 83.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -79.6 | -37 | 175.8 | -82.8 | 68.5 | 0 | 0 | 0 | 112 | F149 V160 V163 V167 L171 Q173 Q175 G180 S181 L183 Q186 M241 | F149-W178 AromaticContact CE2-CH2 3.99Å; F149-W178 HydrophobicContact CE2-CH2 3.99Å; F149-W178 AromaticContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CZ-CH2 4Å; F149-W178 HydrophobicContact CZ-CZ3 4.44Å; V160-W178 VanDerWaalsContact CB-O 3.3Å; V160-W178 WeakPolarHBondContact CB-O 3.25Å; V160-W178 HydrophobicContact CG2-CE3 4.34Å; V163-W178 HydrophobicContact CB-CB 4.37Å; V163-W178 HydrophobicContact CG1-CB 3.82Å; V163-W178 HydrophobicContact CG2-CB 4.47Å; V163-W178 HydrophobicContact CG2-CD2 4.42Å; V163-W178 HydrophobicContact CG2-CE3 4.23Å; V167-W178 HydrophobicContact CG2-CD2 4.08Å; V167-W178 HydrophobicContact CG2-CG 4.36Å; V167-W178 HydrophobicContact CG2-CZ2 4.12Å; L171-W178 HydrophobicContact CD1-CH2 3.92Å; L171-W178 HydrophobicContact CD1-CZ2 3.5Å; Q173-W178 VanDerWaalsContact CB-NE1 3.27Å; Q175-W178 PolarHBondContact O-N 3.31Å; Q175-W178 VanDerWaalsContact O-N 3.08Å; W178-G180 PolarHBondContact O-N 2.82Å; W178-S181 PolarHBondContact O-N 2.76Å; W178-L183 HydrophobicContact CZ3-CD1 4.1Å; W178-Q186 HydrophobicContact CD2-CG 4.42Å; W178-Q186 HydrophobicContact CH2-CB 4.05Å; W178-Q186 HydrophobicContact CH2-CG 4.3Å; W178-Q186 HydrophobicContact CZ2-CB 4.12Å; W178-Q186 HydrophobicContact CZ2-CG 4.18Å; W178-Q186 HydrophobicContact CZ3-CG 4.46Å; W178-M241 HydrophobicContact CH2-CE 4.38Å; W178-M241 HydrophobicContact CH2-SD 4.18Å |
| 179 | F | 82.4 | Confident | 83.3 | Confident | 86 Ų | 86 | 39.6 Ų | 39.6 | 38% | 0.377 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 123.8 | 176.1 | -82.6 | -69.2 | 0 | 0 | 0 | 111 | I161 Y162 V163 Q175 S181 | I161-F179 WeakPolarHBondContact O-CE1 3.17Å; Y162-F179 HydrophobicContact CD2-CZ 4.5Å; V163-F179 HydrophobicContact CG1-CD2 4.05Å; V163-F179 HydrophobicContact CG1-CE2 3.74Å; V163-F179 HydrophobicContact CG1-CZ 4.06Å; Q175-F179 HydrophobicContact CB-CD2 4.14Å; Q175-F179 HydrophobicContact CB-CE2 4.08Å; Q175-F179 WeakPolarHBondContact O-CD2 3.39Å; Q175-F179 PolarHBondContact O-N 2.94Å; F179-S181 VanDerWaalsContact C-N 3.29Å; F179-S181 PolarHBondContact O-N 3.01Å |
| 180 | G | 71.8 | Confident | 83.9 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -19.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | W178 | W178-G180 PolarHBondContact O-N 2.82Š|
| 181 | S | 84.5 | Confident | 84.4 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -76.5 | 162.1 | 173.1 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | V160 E177 W178 F179 | V160-S181 WeakPolarHBondContact CG2-O 2.92Å; V160-S181 PolarHBondContact N-O 2.99Å; E177-S181 WeakPolarHBondContact O-CB 3.39Å; E177-S181 PolarHBondContact O-OG 3.04Å; W178-S181 PolarHBondContact O-N 2.76Å; F179-S181 VanDerWaalsContact C-N 3.29Å; F179-S181 PolarHBondContact O-N 3.01Å |
| 182 | T | 89.2 | Confident | 84.9 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | 147.4 | 172.2 | 68.9 | 0 | 0 | 0 | 0 | 111 | G158 Y184 E185 | G158-T182 WeakPolarHBondContact O-CA 3.43Å; T182-Y184 PolarHBondContact O-N 3.15Å; T182-E185 PolarHBondContact O-N 3.36Å; T182-E185 VanDerWaalsContact OG1-CD 3.3Å; T182-E185 WeakPolarHBondContact OG1-CG 3.16Å; T182-E185 PolarHBondContact OG1-OE1 3.22Å |
| 183 | L | 88.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -29.1 | 176.2 | -170.5 | 62.2 | 0 | 0 | 0 | 111.6 | F151 V153 G158 W178 E185 Q186 V187 L195 M241 | F151-L183 HydrophobicContact CE2-CD1 4.4Å; F151-L183 HydrophobicContact CE2-CD2 4.09Å; V153-L183 HydrophobicContact CG1-CB 4.11Å; V153-L183 HydrophobicContact CG1-CD1 4.49Å; V153-L183 HydrophobicContact CG1-CD2 4.08Å; V153-L183 HydrophobicContact CG1-CG 4.46Å; V153-L183 HydrophobicContact CG2-CD2 4.14Å; G158-L183 PolarHBondContact O-N 3.02Å; W178-L183 HydrophobicContact CZ3-CD1 4.1Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 PolarHBondContact O-N 2.81Å; L183-Q186 PolarHBondContact O-N 2.87Å; L183-Q186 VanDerWaalsContact O-N 3.14Å; L183-V187 PolarHBondContact O-N 2.82Å; L183-L195 HydrophobicContact CB-CD2 4.25Å; L183-L195 HydrophobicContact CD2-CD1 3.81Å; L183-L195 HydrophobicContact CD2-CD2 3.67Å; L183-L195 HydrophobicContact CD2-CG 4.27Å; L183-L195 HydrophobicContact CG-CD2 3.67Å; L183-M241 HydrophobicContact CD1-CE 3.95Å |
| 184 | Y | 88.4 | Confident | 85.4 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -33 | 178.3 | -54.7 | -58.7 | 0 | 0 | 0 | 113.1 | T182 Q186 V187 V192 L195 R196 L199 | T182-Y184 PolarHBondContact O-N 3.15Å; Y184-Q186 VanDerWaalsContact C-N 3.33Å; Y184-V187 WeakPolarHBondContact O-CG2 3.14Å; Y184-V192 HydrophobicContact CD1-CG1 3.83Å; Y184-V192 HydrophobicContact CG-CG1 4.34Å; Y184-L195 HydrophobicContact CD1-CD2 3.83Å; Y184-L195 HydrophobicContact CD1-CG 4.41Å; Y184-L195 HydrophobicContact CE1-CD2 4.02Å; Y184-L195 HydrophobicContact CE1-CG 4.16Å; Y184-R196 HydrophobicContact CE1-CB 4.2Å; Y184-L199 HydrophobicContact CE1-CD1 4.04Å |
| 185 | E | 87.4 | Confident | 85.6 | Confident | 116 Ų | 116 | 52.9 Ų | 52.9 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -75 | -25.2 | 175.7 | -70.9 | 158.6 | -135.9 | 0 | 0 | 112.8 | T182 L183 | T182-E185 PolarHBondContact O-N 3.36Å; T182-E185 VanDerWaalsContact OG1-CD 3.3Å; T182-E185 WeakPolarHBondContact OG1-CG 3.16Å; T182-E185 PolarHBondContact OG1-OE1 3.22Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 PolarHBondContact O-N 2.81Å |
| 186 | Q | 87 | Confident | 85.6 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -86.6 | -15.1 | -179.1 | -59.7 | -60.3 | -25.9 | 0 | 0 | 112.5 | W178 L183 Y184 M241 R242 | W178-Q186 HydrophobicContact CD2-CG 4.42Å; W178-Q186 HydrophobicContact CH2-CB 4.05Å; W178-Q186 HydrophobicContact CH2-CG 4.3Å; W178-Q186 HydrophobicContact CZ2-CB 4.12Å; W178-Q186 HydrophobicContact CZ2-CG 4.18Å; W178-Q186 HydrophobicContact CZ3-CG 4.46Å; L183-Q186 PolarHBondContact O-N 2.87Å; L183-Q186 VanDerWaalsContact O-N 3.14Å; Y184-Q186 VanDerWaalsContact C-N 3.33Å; Q186-M241 CarbonylContact O-C 3.6Å; Q186-M241 WeakPolarHBondContact O-CA 3.21Å; Q186-R242 PolarHBondContact O-N 3.35Å |
| 187 | V | 88.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -100.9 | 160.4 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | L183 Y184 V192 L195 C239 R240 M241 | L183-V187 PolarHBondContact O-N 2.82Å; Y184-V187 WeakPolarHBondContact O-CG2 3.14Å; V187-V192 HydrophobicContact CG2-CG2 3.67Å; V187-L195 HydrophobicContact CG1-CD2 4.07Å; V187-L195 HydrophobicContact CG2-CD2 3.87Å; V187-C239 HydrophobicContact CG1-CB 4.34Å; V187-R240 CarbonylContact C-O 3.26Å; V187-R240 VanDerWaalsContact CA-O 3.25Å; V187-R240 WeakPolarHBondContact CA-O 3.2Å; V187-M241 HydrophobicContact CG1-CE 4.42Å; V187-M241 HydrophobicContact CG1-CG 4.09Å |
| 188 | H | 86.3 | Confident | 85.4 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 17% | 0.171 | 28% | 0.283 | C | S | . | . | trans | -64.2 | 139 | 173.9 | -169.4 | -79.6 | 0 | 0 | 0 | 110.7 | D190 D191 V192 R240 Y277 | H188-D190 VanDerWaalsContact C-N 3.31Å; H188-D190 IonicContact CE1-OD1 3.37Å; H188-D190 PolarHBondContact CE1-OD1 2.93Å; H188-D190 IonicContact CE1-OD2 2.97Å; H188-D190 PolarHBondContact CE1-OD2 3.3Å; H188-D190 VanDerWaalsContact ND1-CG 3.29Å; H188-D190 PolarHBondContact ND1-N 2.95Å; H188-D190 IonicContact ND1-OD1 3.59Å; H188-D190 IonicContact ND1-OD2 3.17Å; H188-D190 PolarHBondContact ND1-OD2 3.44Å; H188-D190 PolarHBondContact O-N 3.09Å; H188-D191 PolarHBondContact O-N 3.44Å; H188-V192 PolarHBondContact O-N 2.89Å; H188-R240 HydrophobicContact CB-CB 3.77Å; H188-R240 PolarHBondContact N-O 2.94Å; H188-R240 PolarHBondContact ND1-NH2 2.94Å; H188-Y277 HydrophobicContact CB-CD1 3.98Å; H188-Y277 HydrophobicContact CB-CE1 3.92Å; H188-Y277 AromaticContact CD2-CD2 3.89Å; H188-Y277 AromaticContact CD2-CE2 3.78Å; H188-Y277 AromaticContact CD2-CZ 3.9Å | ||
| 189 | P | 85.3 | Confident | 85.1 | Confident | 85 Ų | 85 | 56.3 Ų | 56.3 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -53.6 | -39.9 | -176.5 | 17.9 | -32.2 | 0 | 0 | 0 | 114.2 | D191 V192 | P189-D191 PolarHBondContact O-N 2.79Å; P189-V192 WeakPolarHBondContact O-CB 3.38Å; P189-V192 PolarHBondContact O-N 2.83Å |
| 190 | D | 86.9 | Confident | 84.5 | Confident | 103 Ų | 103 | 54.4 Ų | 54.4 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.1 | -21.3 | 176.9 | -32.9 | -29.5 | 0 | 0 | 0 | 114.3 | H188 R240 | H188-D190 VanDerWaalsContact C-N 3.31Å; H188-D190 IonicContact CE1-OD1 3.37Å; H188-D190 PolarHBondContact CE1-OD1 2.93Å; H188-D190 IonicContact CE1-OD2 2.97Å; H188-D190 PolarHBondContact CE1-OD2 3.3Å; H188-D190 VanDerWaalsContact ND1-CG 3.29Å; H188-D190 PolarHBondContact ND1-N 2.95Å; H188-D190 IonicContact ND1-OD1 3.59Å; H188-D190 IonicContact ND1-OD2 3.17Å; H188-D190 PolarHBondContact ND1-OD2 3.44Å; H188-D190 PolarHBondContact O-N 3.09Å; D190-R240 IonicContact OD2-CZ 3.64Å; D190-R240 IonicContact OD2-NH1 3.72Å; D190-R240 IonicContact OD2-NH2 3.36Å; D190-R240 PolarHBondContact OD2-NH2 2.89Å |
| 191 | D | 88.2 | Confident | 83.9 | Confident | 14 Ų | 14 | 54 Ų | 54 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -95 | -8.1 | -178.5 | -60.8 | -12.3 | 0 | 0 | 0 | 111.5 | H188 P189 E193 K194 L195 C239 R240 | H188-D191 PolarHBondContact O-N 3.44Å; P189-D191 PolarHBondContact O-N 2.79Å; D191-E193 PolarHBondContact O-N 2.84Å; D191-K194 PolarHBondContact O-N 3.41Å; D191-L195 WeakPolarHBondContact O-CB 3.35Å; D191-L195 PolarHBondContact O-N 2.81Å; D191-C239 HydrophobicContact CB-CB 4.35Å; D191-R240 IonicContact OD1-CZ 3.72Å; D191-R240 IonicContact OD1-NE 2.93Å; D191-R240 IonicContact OD1-NH2 3.66Å; D191-R240 PolarHBondContact OD1-NH2 2.8Å; D191-R240 WeakPolarHBondContact OD2-CB 3.23Å; D191-R240 IonicContact OD2-CZ 2.94Å; D191-R240 PolarHBondContact OD2-N 3.49Å; D191-R240 IonicContact OD2-NE 2.87Å; D191-R240 PolarHBondContact OD2-NE 2.99Å; D191-R240 IonicContact OD2-NH2 3.58Å |
| 192 | V | 87.7 | Confident | 82.4 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | Y184 V187 H188 P189 L195 R196 | Y184-V192 HydrophobicContact CD1-CG1 3.83Å; Y184-V192 HydrophobicContact CG-CG1 4.34Å; V187-V192 HydrophobicContact CG2-CG2 3.67Å; H188-V192 PolarHBondContact O-N 2.89Å; P189-V192 WeakPolarHBondContact O-CB 3.38Å; P189-V192 PolarHBondContact O-N 2.83Å; V192-L195 PolarHBondContact O-N 2.77Å; V192-R196 WeakPolarHBondContact O-CB 3.38Å; V192-R196 PolarHBondContact O-N 3.09Å |
| 193 | E | 86.4 | Confident | 80.1 | Confident | 110 Ų | 110 | 62.1 Ų | 62.1 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | -178.6 | -163.6 | 62.1 | -136.7 | 0 | 0 | 111 | D191 L195 R196 E197 | D191-E193 PolarHBondContact O-N 2.84Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.78Å; E193-R196 WeakPolarHBondContact O-CB 3.43Å; E193-R196 PolarHBondContact O-N 2.81Å; E193-E197 WeakPolarHBondContact O-CG 3.44Å; E193-E197 PolarHBondContact O-N 3.32Å |
| 194 | K | 85.3 | Confident | 77.8 | Confident | 131 Ų | 131 | 65.6 Ų | 65.6 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 175.9 | -63.4 | 176.4 | -176 | 167.6 | 0 | 111.9 | D191 R196 E197 Q198 | D191-K194 PolarHBondContact O-N 3.41Å; K194-R196 VanDerWaalsContact C-N 3.33Å; K194-E197 PolarHBondContact O-N 3.24Å; K194-Q198 VanDerWaalsContact O-CG 3.31Å; K194-Q198 WeakPolarHBondContact O-CG 3.34Å; K194-Q198 PolarHBondContact O-N 3.29Å; K194-Q198 VanDerWaalsContact O-N 3.17Å |
| 195 | L | 85.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.4 | 176.3 | 65.2 | 0 | 0 | 0 | 111.1 | L183 Y184 V187 D191 V192 E193 Q198 L199 F237 | L183-L195 HydrophobicContact CB-CD2 4.25Å; L183-L195 HydrophobicContact CD2-CD1 3.81Å; L183-L195 HydrophobicContact CD2-CD2 3.67Å; L183-L195 HydrophobicContact CD2-CG 4.27Å; L183-L195 HydrophobicContact CG-CD2 3.67Å; Y184-L195 HydrophobicContact CD1-CD2 3.83Å; Y184-L195 HydrophobicContact CD1-CG 4.41Å; Y184-L195 HydrophobicContact CE1-CD2 4.02Å; Y184-L195 HydrophobicContact CE1-CG 4.16Å; V187-L195 HydrophobicContact CG1-CD2 4.07Å; V187-L195 HydrophobicContact CG2-CD2 3.87Å; D191-L195 WeakPolarHBondContact O-CB 3.35Å; D191-L195 PolarHBondContact O-N 2.81Å; V192-L195 PolarHBondContact O-N 2.77Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.78Å; L195-Q198 PolarHBondContact O-N 3.27Å; L195-L199 HydrophobicContact CD1-CD1 4.09Å; L195-L199 HydrophobicContact CD1-CG 4.27Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.91Å; L195-L199 HydrophobicContact CG-CG 4.47Å; L195-L199 WeakPolarHBondContact O-CG 3.07Å; L195-L199 PolarHBondContact O-N 3.32Å; L195-F237 HydrophobicContact CD1-CD2 4.21Å; L195-F237 HydrophobicContact CD1-CE1 4.05Å; L195-F237 HydrophobicContact CD1-CE2 3.41Å; L195-F237 VanDerWaalsContact CD1-CE2 3.41Å; L195-F237 HydrophobicContact CD1-CZ 3.31Å |
| 196 | R | 85.2 | Confident | 73 | Confident | 138 Ų | 138 | 68.7 Ų | 68.7 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 177.4 | -169.8 | 179.6 | -176.3 | 173.1 | 2.5 | 111 | Y184 V192 E193 K194 Q198 L199 C200 | Y184-R196 HydrophobicContact CE1-CB 4.2Å; V192-R196 WeakPolarHBondContact O-CB 3.38Å; V192-R196 PolarHBondContact O-N 3.09Å; E193-R196 WeakPolarHBondContact O-CB 3.43Å; E193-R196 PolarHBondContact O-N 2.81Å; K194-R196 VanDerWaalsContact C-N 3.33Å; R196-Q198 VanDerWaalsContact C-N 3.3Å; R196-Q198 PolarHBondContact O-N 3.34Å; R196-L199 PolarHBondContact O-N 2.89Å; R196-C200 WeakPolarHBondContact O-CB 3.48Å; R196-C200 PolarHBondContact O-N 3.43Å; R196-C200 PolarHBondContact O-SG 3.23Å |
| 197 | E | 83 | Confident | 70.7 | Confident | 97 Ų | 97 | 73.5 Ų | 73.5 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 173.7 | -70.5 | 171.6 | 177.9 | 0 | 0 | 112.4 | E193 K194 C200 | E193-E197 WeakPolarHBondContact O-CG 3.44Å; E193-E197 PolarHBondContact O-N 3.32Å; K194-E197 PolarHBondContact O-N 3.24Å; E197-C200 VanDerWaalsContact O-O 3.14Å |
| 198 | Q | 82.1 | Confident | 68.4 | Low | 62 Ų | 62 | 76.4 Ų | 76.4 | 29% | 0.29 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.5 | -35.2 | 179.6 | -66.9 | -64.6 | -38.8 | 0 | 0 | 113.3 | K194 L195 R196 R235 F237 | K194-Q198 VanDerWaalsContact O-CG 3.31Å; K194-Q198 WeakPolarHBondContact O-CG 3.34Å; K194-Q198 PolarHBondContact O-N 3.29Å; K194-Q198 VanDerWaalsContact O-N 3.17Å; L195-Q198 PolarHBondContact O-N 3.27Å; R196-Q198 VanDerWaalsContact C-N 3.3Å; R196-Q198 PolarHBondContact O-N 3.34Å; Q198-R235 WeakPolarHBondContact O-CD 3.3Å; Q198-R235 PolarHBondContact O-NE 3.42Å; Q198-F237 HydrophobicContact CB-CD1 3.96Å; Q198-F237 HydrophobicContact CB-CE1 4.4Å; Q198-F237 HydrophobicContact CG-CB 4.01Å; Q198-F237 HydrophobicContact CG-CD1 4.02Å; Q198-F237 HydrophobicContact CG-CG 4.2Å |
| 199 | L | 77.8 | Confident | 66.4 | Low | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.005 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -77.8 | -35.8 | 176.6 | -70.6 | 171.5 | 0 | 0 | 0 | 111.9 | V153 Y184 L195 R196 T201 L311 | V153-L199 HydrophobicContact CG2-CD2 3.8Å; Y184-L199 HydrophobicContact CE1-CD1 4.04Å; L195-L199 HydrophobicContact CD1-CD1 4.09Å; L195-L199 HydrophobicContact CD1-CG 4.27Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.91Å; L195-L199 HydrophobicContact CG-CG 4.47Å; L195-L199 WeakPolarHBondContact O-CG 3.07Å; L195-L199 PolarHBondContact O-N 3.32Å; R196-L199 PolarHBondContact O-N 2.89Å; L199-T201 PolarHBondContact O-N 3.49Å; L199-L311 HydrophobicContact CD2-CB 3.68Å; L199-L311 HydrophobicContact CD2-CD2 3.57Å; L199-L311 HydrophobicContact CD2-CG 4.25Å |
| 200 | C | 69.8 | Low | 64.6 | Low | 45 Ų | 45 | 85.9 Ų | 85.9 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | trans | -64.8 | 109.3 | 173.3 | -75.9 | 0 | 0 | 0 | 0 | 109.3 | R196 E197 S202 | R196-C200 WeakPolarHBondContact O-CB 3.48Å; R196-C200 PolarHBondContact O-N 3.43Å; R196-C200 PolarHBondContact O-SG 3.23Å; E197-C200 VanDerWaalsContact O-O 3.14Å; C200-S202 PolarHBondContact O-N 3.36Å | ||
| 201 | T | 59.9 | Low | 62.9 | Low | 35 Ų | 35 | 87.8 Ų | 87.8 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -69.4 | -0.1 | 171.3 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | L199 C230 I286 | L199-T201 PolarHBondContact O-N 3.49Å; T201-C230 HydrophobicContact CG2-CB 3.81Å; T201-C230 PolarHBondContact O-SG 3.38Å; T201-I286 HydrophobicContact CG2-CG2 4.1Å |
| 202 | S | 52.6 | Low | 61 | Low | 92 Ų | 92 | 91.3 Ų | 91.3 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | trans | -109.9 | 63.2 | -176.8 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | C200 | C200-S202 PolarHBondContact O-N 3.36Š| ||
| 203 | E | 39.7 | Very low | 59.6 | Low | 138 Ų | 138 | 97.5 Ų | 97.5 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | trans | -128.2 | 99.4 | 154 | -122.1 | -112.3 | 98.5 | 0 | 0 | 102.2 | ||||
| 204 | N | 40.8 | Very low | 57.7 | Low | 73 Ų | 73 | 101.3 Ų | 101.3 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | -175.2 | 73.4 | 76 | -171.1 | 21.4 | 0 | 0 | 0 | 111 | M206 T207 | N204-M206 PolarHBondContact O-N 3.13Å; N204-T207 WeakPolarHBondContact ND2-CB 3.44Å; N204-T207 PolarHBondContact ND2-OG1 3.45Å; N204-T207 WeakPolarHBondContact OD1-CB 3.39Å; N204-T207 PolarHBondContact OD1-N 2.86Å | |||
| 205 | S | 38.9 | Very low | 56.4 | Low | 122 Ų | 122 | 99.1 Ų | 99.1 | 85% | 0.853 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -81.9 | 1.9 | 177 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 206 | M | 37.2 | Very low | 54.8 | Low | 109 Ų | 109 | 102.5 Ų | 102.5 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -106.1 | -37.7 | -177.2 | -145.3 | -28.6 | -145 | 0 | 0 | 112.8 | N204 G208 R209 | N204-M206 PolarHBondContact O-N 3.13Å; M206-G208 PolarHBondContact O-N 2.77Å; M206-R209 PolarHBondContact O-N 3.46Å; M206-R209 HydrophobicContact SD-CG 4.2Å; M206-R209 PolarHBondContact SD-NE 3.11Å; M206-R209 PolarHBondContact SD-NH2 3.45Å |
| 207 | T | 37.2 | Very low | 53.2 | Low | 107 Ų | 107 | 101.2 Ų | 101.2 | 66% | 0.656 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -6.4 | -177.9 | 137.7 | 0 | 0 | 0 | 0 | 114.1 | N204 R209 | N204-T207 WeakPolarHBondContact ND2-CB 3.44Å; N204-T207 PolarHBondContact ND2-OG1 3.45Å; N204-T207 WeakPolarHBondContact OD1-CB 3.39Å; N204-T207 PolarHBondContact OD1-N 2.86Å; T207-R209 VanDerWaalsContact C-N 3.29Å; T207-R209 PolarHBondContact O-N 3.24Å |
| 208 | G | 40.4 | Very low | 51.3 | Low | 65 Ų | 65 | 103 Ų | 103 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 3.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115 | M206 I210 | M206-G208 PolarHBondContact O-N 2.77Å; G208-I210 PolarHBondContact O-N 3.09Å |
| 209 | R | 44.2 | Very low | 49.5 | Very low | 171 Ų | 171 | 109.8 Ų | 109.8 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | trans | -77.7 | 70.3 | 167.6 | -61.6 | -170.6 | -152.7 | 160.2 | 9.6 | 109.4 | M206 T207 L211 | M206-R209 PolarHBondContact O-N 3.46Å; M206-R209 HydrophobicContact SD-CG 4.2Å; M206-R209 PolarHBondContact SD-NE 3.11Å; M206-R209 PolarHBondContact SD-NH2 3.45Å; T207-R209 VanDerWaalsContact C-N 3.29Å; T207-R209 PolarHBondContact O-N 3.24Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.12Å | ||
| 210 | I | 48 | Very low | 48 | Very low | 150 Ų | 150 | 118 Ų | 118 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | -65.9 | 104.3 | 158.7 | -64.5 | 170.9 | 0 | 0 | 0 | 105.2 | G208 D212 | G208-I210 PolarHBondContact O-N 3.09Å; I210-D212 VanDerWaalsContact C-N 3.34Å; I210-D212 PolarHBondContact O-N 2.76Å | ||
| 211 | L | 51 | Low | 46.5 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | -68.6 | 98.6 | 168 | -130.4 | 125 | 0 | 0 | 0 | 105.6 | R209 L213 | R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.12Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.86Å | ||
| 212 | D | 49.2 | Very low | 45.6 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 47% | 0.471 | 69% | 0.691 | S | S | . | * | trans | -65 | 99 | 169.5 | 177.8 | 18.9 | 0 | 0 | 0 | 107.9 | I210 K214 T215 G216 | I210-D212 VanDerWaalsContact C-N 3.34Å; I210-D212 PolarHBondContact O-N 2.76Å; D212-K214 PolarHBondContact O-N 3.49Å; D212-K214 WeakPolarHBondContact OD1-CB 3.38Å; D212-K214 PolarHBondContact OD1-N 3.14Å; D212-T215 PolarHBondContact O-N 3.42Å; D212-T215 PolarHBondContact OD2-OG1 3.5Å; D212-G216 PolarHBondContact O-N 3.47Å | ||
| 213 | L | 57.5 | Low | 45.2 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 89% | 0.89 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -11.6 | -177.9 | -170.1 | 58.1 | 0 | 0 | 0 | 112 | L211 | L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.86Å |
| 214 | K | 46.7 | Very low | 45.3 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -17.4 | 177.5 | -165.3 | 168 | 179.2 | 178.3 | 0 | 114.5 | D212 | D212-K214 PolarHBondContact O-N 3.49Å; D212-K214 WeakPolarHBondContact OD1-CB 3.38Å; D212-K214 PolarHBondContact OD1-N 3.14Å |
| 215 | T | 58.3 | Low | 45.3 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 53% | 0.528 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.9 | -5.1 | -168.9 | -23.1 | 0 | 0 | 0 | 0 | 116.2 | D212 T217 | D212-T215 PolarHBondContact O-N 3.42Å; D212-T215 PolarHBondContact OD2-OG1 3.5Å; T215-T217 PolarHBondContact O-N 3.27Å; T215-T217 PolarHBondContact O-OG1 3.45Å |
| 216 | G | 50.3 | Low | 45.5 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | 56 | 14.6 | 164 | 0 | 0 | 0 | 0 | 0 | 117 | D212 | D212-G216 PolarHBondContact O-N 3.47Š| ||
| 217 | T | 52.3 | Low | 45.7 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | trans | -121.3 | 120.7 | -174.7 | 29.5 | 0 | 0 | 0 | 0 | 110.8 | T215 K219 | T215-T217 PolarHBondContact O-N 3.27Å; T215-T217 PolarHBondContact O-OG1 3.45Å; T217-K219 PolarHBondContact O-N 3.35Å; T217-K219 VanDerWaalsContact O-N 3.15Å | ||
| 218 | V | 42.4 | Very low | 45.9 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -76.6 | 98.4 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | K220 | V218-K220 PolarHBondContact O-N 3.35Š| ||
| 219 | K | 44.3 | Very low | 46 | Very low | 203 Ų | 203 | 137.2 Ų | 137.2 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | trans | -84.9 | 107.7 | 173.5 | -144.9 | 177.6 | 179.7 | -177.5 | 0 | 108.9 | T217 E221 | T217-K219 PolarHBondContact O-N 3.35Å; T217-K219 VanDerWaalsContact O-N 3.15Å; K219-E221 PolarHBondContact O-N 3.24Å | ||
| 220 | K | 47.9 | Very low | 46.4 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | trans | -72.1 | 91.2 | 174.3 | -176.5 | -178.3 | 178.6 | -178.7 | 0 | 109.1 | V218 | V218-K220 PolarHBondContact O-N 3.35Š| ||
| 221 | E | 38.6 | Very low | 46.8 | Very low | 188 Ų | 188 | 127.3 Ų | 127.3 | 88% | 0.879 | 67% | 0.665 | S | S | * | * | trans | -75.3 | 138 | 167.8 | -139.3 | 177.9 | -162 | 0 | 0 | 109.6 | K219 | K219-E221 PolarHBondContact O-N 3.24Š| ||
| 222 | G | 40.8 | Very low | 47.3 | Very low | 47 Ų | 47 | 123.1 Ų | 123.1 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | trans | -64.1 | 143.9 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q224 S225 | G222-Q224 PolarHBondContact O-N 2.95Å; G222-S225 PolarHBondContact O-OG 3.37Å | ||
| 223 | Q | 43.8 | Very low | 48.3 | Very low | 160 Ų | 160 | 120.5 Ų | 120.5 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 4.7 | 176.2 | -72 | 172.3 | -80.6 | 0 | 0 | 115.9 | ||
| 224 | Q | 41.2 | Very low | 49.4 | Very low | 170 Ų | 170 | 119.8 Ų | 119.8 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -21.1 | -172 | -70.5 | -176.8 | -11.1 | 0 | 0 | 114.3 | G222 | G222-Q224 PolarHBondContact O-N 2.95Š|
| 225 | S | 40.2 | Very low | 51.2 | Low | 84 Ų | 84 | 113 Ų | 113 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -35.5 | -177.6 | 44.8 | 0 | 0 | 0 | 0 | 113.1 | G222 M227 R228 | G222-S225 PolarHBondContact O-OG 3.37Å; S225-M227 PolarHBondContact O-N 3.4Å; S225-R228 PolarHBondContact O-N 2.82Å |
| 226 | S | 44.8 | Very low | 52.4 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -63.5 | -41 | -179.7 | 176 | 0 | 0 | 0 | 0 | 112.6 | R228 M229 C230 | S226-R228 VanDerWaalsContact C-N 3.25Å; S226-R228 PolarHBondContact O-N 2.91Å; S226-M229 PolarHBondContact O-N 3.11Å; S226-M229 VanDerWaalsContact O-N 3.12Å; S226-C230 PolarHBondContact O-SG 2.87Å |
| 227 | M | 40 | Very low | 54.1 | Low | 117 Ų | 117 | 109 Ų | 109 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -69.3 | -21.2 | -175.7 | -152.7 | 144.3 | 52.6 | 0 | 0 | 113.6 | S225 | S225-M227 PolarHBondContact O-N 3.4Š|
| 228 | R | 42.7 | Very low | 55.8 | Low | 210 Ų | 210 | 107.8 Ų | 107.8 | 79% | 0.792 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -80.5 | -24.5 | 175.3 | -159.4 | -175.4 | -69.6 | -163.4 | -0.5 | 112.5 | S225 S226 C230 | S225-R228 PolarHBondContact O-N 2.82Å; S226-R228 VanDerWaalsContact C-N 3.25Å; S226-R228 PolarHBondContact O-N 2.91Å; R228-C230 VanDerWaalsContact C-N 3.28Å; R228-C230 PolarHBondContact O-N 3.11Å |
| 229 | M | 42.6 | Very low | 58 | Low | 148 Ų | 148 | 101.5 Ų | 101.5 | 73% | 0.729 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -79 | -11 | 179.6 | -57.7 | -59.2 | -141.4 | 0 | 0 | 113.3 | S226 | S226-M229 PolarHBondContact O-N 3.11Å; S226-M229 VanDerWaalsContact O-N 3.12Å |
| 230 | C | 51.5 | Low | 60 | Low | 8 Ų | 8 | 94.5 Ų | 94.5 | 5% | 0.054 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -86.2 | -28.1 | -175.8 | -51 | 0 | 0 | 0 | 0 | 113 | T201 S226 R228 I286 | T201-C230 HydrophobicContact CG2-CB 3.81Å; T201-C230 PolarHBondContact O-SG 3.38Å; S226-C230 PolarHBondContact O-SG 2.87Å; R228-C230 VanDerWaalsContact C-N 3.28Å; R228-C230 PolarHBondContact O-N 3.11Å; C230-I286 WeakPolarHBondContact O-CB 3.44Å; C230-I286 WeakPolarHBondContact O-CG2 3.04Å |
| 231 | M | 56.8 | Low | 61.9 | Low | 106 Ų | 106 | 86.2 Ų | 86.2 | 52% | 0.522 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 122.3 | -179.7 | -68.2 | -179.7 | 64.2 | 0 | 0 | 110.5 | S233 A288 Y309 | M231-S233 VanDerWaalsContact C-N 3.3Å; M231-A288 HydrophobicContact CE-CB 3.88Å; M231-Y309 HydrophobicContact CG-CD1 4.19Å; M231-Y309 HydrophobicContact CG-CE1 3.56Å; M231-Y309 HydrophobicContact SD-CE1 4.03Å |
| 232 | G | 60.9 | Low | 64.1 | Low | 53 Ų | 53 | 82.2 Ų | 82.2 | 55% | 0.546 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 6.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R234 I286 | G232-R234 PolarHBondContact O-N 3.22Å; G232-I286 WeakPolarHBondContact CA-O 3.38Å; G232-I286 PolarHBondContact N-O 2.89Å |
| 233 | S | 70.9 | Confident | 66.1 | Low | 34 Ų | 34 | 80.6 Ų | 80.6 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | trans | -69 | 129.6 | 178.8 | -160.1 | 0 | 0 | 0 | 0 | 110.6 | M231 R235 Y285 I286 | M231-S233 VanDerWaalsContact C-N 3.3Å; S233-R235 PolarHBondContact OG-NH1 3.05Å; S233-Y285 WeakPolarHBondContact O-CA 3.21Å; S233-I286 PolarHBondContact O-N 2.72Å; S233-I286 VanDerWaalsContact O-N 3.09Å | ||
| 234 | R | 81 | Confident | 67.6 | Low | 155 Ų | 155 | 73.1 Ų | 73.1 | 59% | 0.585 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.8 | 174.6 | -168.1 | 175.3 | 173.5 | -167 | -4.7 | 109.3 | G232 G284 Y285 | G232-R234 PolarHBondContact O-N 3.22Å; R234-G284 CarbonylContact C-O 3.56Å; R234-G284 WeakPolarHBondContact CA-O 3.49Å; R234-Y285 HydrophobicContact CB-CD1 3.87Å; R234-Y285 HydrophobicContact CB-CE1 3.55Å; R234-Y285 HydrophobicContact CG-CD1 4.2Å; R234-Y285 HydrophobicContact CG-CE1 3.64Å |
| 235 | R | 83.3 | Confident | 68.7 | Low | 45 Ų | 45 | 71.9 Ų | 71.9 | 17% | 0.17 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135 | 174.5 | -67.9 | -71.5 | -175.5 | -93.8 | 3.2 | 108.7 | Q198 S233 G284 I286 L311 | Q198-R235 WeakPolarHBondContact O-CD 3.3Å; Q198-R235 PolarHBondContact O-NE 3.42Å; S233-R235 PolarHBondContact OG-NH1 3.05Å; R235-G284 PolarHBondContact N-O 3.5Å; R235-G284 PolarHBondContact O-N 2.89Å; R235-I286 HydrophobicContact CG-CD1 4.21Å; R235-I286 HydrophobicContact CG-CG1 3.97Å; R235-L311 HydrophobicContact CB-CD1 4.07Å; R235-L311 HydrophobicContact CG-CD1 4.38Å |
| 236 | S | 84.4 | Confident | 69.6 | Low | 56 Ų | 56 | 68.8 Ų | 68.8 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 121.5 | 178.9 | -157.1 | 0 | 0 | 0 | 0 | 108 | H281 C282 T283 | S236-H281 PolarHBondContact OG-CE1 2.87Å; S236-H281 PolarHBondContact OG-NE2 2.95Å; S236-C282 CarbonylContact C-O 3.39Å; S236-C282 VanDerWaalsContact CA-O 3.31Å; S236-C282 WeakPolarHBondContact CA-O 3.26Å; S236-T283 WeakPolarHBondContact OG-CG2 3.33Å |
| 237 | F | 85.7 | Confident | 69.9 | Low | 20 Ų | 20 | 70.5 Ų | 70.5 | 9% | 0.088 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 155.7 | 178.8 | 59.6 | -92.7 | 0 | 0 | 0 | 110.9 | L195 Q198 C239 H281 C282 L311 | L195-F237 HydrophobicContact CD1-CD2 4.21Å; L195-F237 HydrophobicContact CD1-CE1 4.05Å; L195-F237 HydrophobicContact CD1-CE2 3.41Å; L195-F237 VanDerWaalsContact CD1-CE2 3.41Å; L195-F237 HydrophobicContact CD1-CZ 3.31Å; Q198-F237 HydrophobicContact CB-CD1 3.96Å; Q198-F237 HydrophobicContact CB-CE1 4.4Å; Q198-F237 HydrophobicContact CG-CB 4.01Å; Q198-F237 HydrophobicContact CG-CD1 4.02Å; Q198-F237 HydrophobicContact CG-CG 4.2Å; F237-C239 HydrophobicContact CD2-CB 4.19Å; F237-C239 HydrophobicContact CE2-CB 4.34Å; F237-H281 PolarHBondContact O-CD2 3.16Å; F237-C282 HydrophobicContact CD1-CB 4.34Å; F237-C282 HydrophobicContact CD2-CB 3.94Å; F237-C282 HydrophobicContact CE1-CB 3.92Å; F237-C282 HydrophobicContact CE2-CB 3.46Å; F237-C282 VanDerWaalsContact CE2-CB 3.46Å; F237-C282 HydrophobicContact CG-CB 4.35Å; F237-C282 HydrophobicContact CZ-CB 3.45Å; F237-C282 VanDerWaalsContact CZ-CB 3.45Å; F237-C282 PolarHBondContact N-O 3.06Å; F237-C282 PolarHBondContact O-N 3.28Å; F237-L311 HydrophobicContact CE1-CD2 3.92Å; F237-L311 HydrophobicContact CZ-CD2 4.26Å |
| 238 | I | 88.1 | Confident | 70.6 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.2 | 175 | -59 | 170.2 | 0 | 0 | 0 | 106.8 | V279 H281 | I238-V279 HydrophobicContact CG2-CG1 3.37Å; I238-H281 HydrophobicContact CG1-CB 4.4Å |
| 239 | C | 88.5 | Confident | 70.7 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.1 | 177.2 | 63 | 0 | 0 | 0 | 0 | 110.5 | V187 D191 F237 V280 | V187-C239 HydrophobicContact CG1-CB 4.34Å; D191-C239 HydrophobicContact CB-CB 4.35Å; F237-C239 HydrophobicContact CD2-CB 4.19Å; F237-C239 HydrophobicContact CE2-CB 4.34Å; C239-V280 PolarHBondContact N-O 2.86Å; C239-V280 PolarHBondContact O-N 3.45Å |
| 240 | R | 86.4 | Confident | 70.9 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 21% | 0.208 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.8 | 171.6 | -69.9 | 169.6 | -70.4 | 170.7 | -2.7 | 108.8 | V187 H188 D190 D191 L267 Y277 A278 V279 | V187-R240 CarbonylContact C-O 3.26Å; V187-R240 VanDerWaalsContact CA-O 3.25Å; V187-R240 WeakPolarHBondContact CA-O 3.2Å; H188-R240 HydrophobicContact CB-CB 3.77Å; H188-R240 PolarHBondContact N-O 2.94Å; H188-R240 PolarHBondContact ND1-NH2 2.94Å; D190-R240 IonicContact OD2-CZ 3.64Å; D190-R240 IonicContact OD2-NH1 3.72Å; D190-R240 IonicContact OD2-NH2 3.36Å; D190-R240 PolarHBondContact OD2-NH2 2.89Å; D191-R240 IonicContact OD1-CZ 3.72Å; D191-R240 IonicContact OD1-NE 2.93Å; D191-R240 IonicContact OD1-NH2 3.66Å; D191-R240 PolarHBondContact OD1-NH2 2.8Å; D191-R240 WeakPolarHBondContact OD2-CB 3.23Å; D191-R240 IonicContact OD2-CZ 2.94Å; D191-R240 PolarHBondContact OD2-N 3.49Å; D191-R240 IonicContact OD2-NE 2.87Å; D191-R240 PolarHBondContact OD2-NE 2.99Å; D191-R240 IonicContact OD2-NH2 3.58Å; R240-L267 HydrophobicContact CG-CD1 4.23Å; R240-Y277 HydrophobicContact CB-CD1 4.42Å; R240-A278 CarbonylContact C-O 3.53Å; R240-A278 WeakPolarHBondContact CA-O 3.49Å; R240-V279 HydrophobicContact CG-CG2 4.22Å |
| 241 | M | 88.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 143.3 | 177.5 | -70.5 | -179.6 | 159.7 | 0 | 0 | 110.8 | F149 F151 L171 W178 L183 Q186 V187 C243 Y277 A278 V280 | F149-M241 HydrophobicContact CE1-SD 4.29Å; F149-M241 HydrophobicContact CZ-CE 4.34Å; F149-M241 HydrophobicContact CZ-SD 3.7Å; F151-M241 HydrophobicContact CE1-CE 4.41Å; F151-M241 HydrophobicContact CZ-CE 4.35Å; L171-M241 HydrophobicContact CD1-CB 4.1Å; L171-M241 HydrophobicContact CD1-SD 4.01Å; L171-M241 HydrophobicContact CD2-CB 4.33Å; W178-M241 HydrophobicContact CH2-CE 4.38Å; W178-M241 HydrophobicContact CH2-SD 4.18Å; L183-M241 HydrophobicContact CD1-CE 3.95Å; Q186-M241 CarbonylContact O-C 3.6Å; Q186-M241 WeakPolarHBondContact O-CA 3.21Å; V187-M241 HydrophobicContact CG1-CE 4.42Å; V187-M241 HydrophobicContact CG1-CG 4.09Å; M241-C243 PolarHBondContact O-N 2.92Å; M241-Y277 CarbonylContact O-C 3.54Å; M241-Y277 VanDerWaalsContact O-CA 3.32Å; M241-Y277 WeakPolarHBondContact O-CA 3.44Å; M241-A278 PolarHBondContact N-O 2.9Å; M241-A278 PolarHBondContact O-N 3.46Å; M241-V280 HydrophobicContact CB-CG2 3.93Å; M241-V280 HydrophobicContact CG-CB 4.16Å; M241-V280 HydrophobicContact CG-CG2 4.03Å; M241-V280 HydrophobicContact SD-CB 3.73Å; M241-V280 HydrophobicContact SD-CG1 3.81Å; M241-V280 HydrophobicContact SD-CG2 3.74Å |
| 242 | R | 85.6 | Confident | 70.9 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.5 | 178.2 | -175 | 177 | -179.6 | -175.9 | 0.1 | 110.1 | Q186 A275 Y277 | Q186-R242 PolarHBondContact O-N 3.35Å; R242-A275 HydrophobicContact CG-CB 4.27Å; R242-Y277 HydrophobicContact CB-CD1 4.29Å; R242-Y277 HydrophobicContact CB-CE1 3.99Å |
| 243 | C | 82.6 | Confident | 70.4 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 8% | 0.081 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 136.9 | 170.4 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | L171 M241 Q276 A278 | L171-C243 CarbonylContact O-C 3.57Å; L171-C243 WeakPolarHBondContact O-CA 2.97Å; M241-C243 PolarHBondContact O-N 2.92Å; C243-Q276 HydrophobicContact CB-CB 4.2Å; C243-Q276 HydrophobicContact CB-CG 4.24Å; C243-Q276 PolarHBondContact N-O 3.49Å; C243-A278 WeakPolarHBondContact SG-CB 3.37Å |
| 244 | G | 74 | Confident | 69.6 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L171 N172 Q173 | L171-G244 PolarHBondContact O-N 2.95Å; N172-G244 WeakPolarHBondContact CB-O 3.34Å; N172-G244 PolarHBondContact ND2-O 3.45Å; N172-G244 CarbonylContact O-C 3.42Å; N172-G244 VanDerWaalsContact O-C 3.26Å; N172-G244 VanDerWaalsContact O-CA 3.27Å; N172-G244 WeakPolarHBondContact O-CA 3.49Å; Q173-G244 VanDerWaalsContact OE1-CA 3.28Å |
| 245 | N | 64.9 | Low | 68.1 | Low | 144 Ų | 144 | 74.1 Ų | 74.1 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | trans | -113.5 | 27.7 | 176.1 | -96 | 46.9 | 0 | 0 | 0 | 112.2 | ||||
| 246 | A | 58.9 | Low | 66.6 | Low | 20 Ų | 20 | 73.5 Ų | 73.5 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | trans | -55.1 | 131.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N172 L248 | N172-A246 PolarHBondContact ND2-N 3.28Å; N172-A246 VanDerWaalsContact ND2-N 3.2Å; N172-A246 PolarHBondContact ND2-O 3.42Å; N172-A246 WeakPolarHBondContact O-CB 3.31Å; N172-A246 PolarHBondContact O-N 3.42Å; N172-A246 PolarHBondContact OD1-O 3.28Å; A246-L248 PolarHBondContact O-N 2.91Å | ||
| 247 | P | 50.2 | Low | 64.8 | Low | 102 Ų | 102 | 75.2 Ų | 75.2 | 66% | 0.662 | 39% | 0.39 | S | S | * | . | trans | -67.5 | 123.1 | 176.7 | 25.4 | -31 | 0 | 0 | 0 | 109.7 | D249 | P247-D249 PolarHBondContact O-N 2.76Š| ||
| 248 | L | 54.8 | Low | 63.1 | Low | 54 Ų | 54 | 78 Ų | 78 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | trans | -81.6 | 54.9 | 179.9 | -65.1 | 167.5 | 0 | 0 | 0 | 110.7 | N172 A246 H250 L251 M259 | N172-L248 WeakPolarHBondContact OD1-CD2 3.49Å; A246-L248 PolarHBondContact O-N 2.91Å; L248-H250 VanDerWaalsContact C-N 3.25Å; L248-H250 PolarHBondContact O-N 3.03Å; L248-L251 HydrophobicContact CD2-CD1 3.92Å; L248-M259 HydrophobicContact CD2-CE 4.04Å | ||
| 249 | D | 45.3 | Very low | 61.3 | Low | 129 Ų | 129 | 74.3 Ų | 74.3 | 69% | 0.69 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6 | -170.2 | -78.3 | -23.9 | 0 | 0 | 0 | 114.7 | P247 | P247-D249 PolarHBondContact O-N 2.76Š|
| 250 | H | 47.5 | Very low | 59.6 | Low | 181 Ų | 181 | 83.1 Ų | 83.1 | 84% | 0.838 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | 20.5 | -173.6 | -72.6 | -71 | 0 | 0 | 0 | 116.5 | L248 | L248-H250 VanDerWaalsContact C-N 3.25Å; L248-H250 PolarHBondContact O-N 3.03Å |
| 251 | L | 54.9 | Low | 57.8 | Low | 51 Ų | 51 | 88.9 Ų | 88.9 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -109.7 | 137.9 | 179 | -69.1 | 171.6 | 0 | 0 | 0 | 113 | L248 I256 M259 | L248-L251 HydrophobicContact CD2-CD1 3.92Å; L251-I256 HydrophobicContact CB-CG1 4.3Å; L251-I256 VanDerWaalsContact O-CD1 3.22Å; L251-I256 WeakPolarHBondContact O-CD1 3.26Å; L251-M259 HydrophobicContact CD1-CE 4.16Å |
| 252 | P | 52.3 | Low | 56.1 | Low | 88 Ų | 88 | 91.8 Ų | 91.8 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | trans | -61 | 140.5 | 176 | 23.4 | -31.4 | 0 | 0 | 0 | 110.8 | N254 R255 I256 | P252-N254 PolarHBondContact O-N 3.2Å; P252-R255 PolarHBondContact O-N 2.86Å; P252-I256 PolarHBondContact O-N 3.06Å | ||
| 253 | L | 52 | Low | 54.5 | Low | 141 Ų | 141 | 89.8 Ų | 89.8 | 74% | 0.738 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -45.4 | -34.2 | -174.6 | -111.4 | 71.3 | 0 | 0 | 0 | 114.6 | R255 I256 T257 | L253-R255 PolarHBondContact O-N 3.42Å; L253-I256 HydrophobicContact CD1-CD1 4.36Å; L253-I256 WeakPolarHBondContact O-CB 3.41Å; L253-I256 PolarHBondContact O-N 3.4Å; L253-T257 PolarHBondContact O-N 3.48Å; L253-T257 PolarHBondContact O-OG1 2.77Å |
| 254 | N | 52.2 | Low | 53 | Low | 138 Ų | 138 | 97.6 Ų | 97.6 | 74% | 0.738 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.1 | -31.3 | 178.9 | -72.3 | -23.3 | 0 | 0 | 0 | 114.1 | P252 T258 | P252-N254 PolarHBondContact O-N 3.2Å; N254-T258 PolarHBondContact O-OG1 3.05Å |
| 255 | R | 51.3 | Low | 51.9 | Low | 125 Ų | 125 | 98.2 Ų | 98.2 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.7 | -37 | 171 | -87 | -167.8 | 179.2 | 177 | 3.6 | 110.8 | P252 L253 T257 T258 M259 | P252-R255 PolarHBondContact O-N 2.86Å; L253-R255 PolarHBondContact O-N 3.42Å; R255-T257 VanDerWaalsContact C-N 3.3Å; R255-T257 PolarHBondContact O-N 3.07Å; R255-T258 PolarHBondContact O-N 3.34Å; R255-M259 WeakPolarHBondContact O-CB 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.44Å; R255-M259 PolarHBondContact O-N 3.11Å |
| 256 | I | 50.8 | Low | 51.2 | Low | 32 Ų | 32 | 91.8 Ų | 91.8 | 16% | 0.164 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60 | -38.8 | -178.9 | -63.9 | 170.6 | 0 | 0 | 0 | 111.5 | L251 P252 L253 M259 R260 | L251-I256 HydrophobicContact CB-CG1 4.3Å; L251-I256 VanDerWaalsContact O-CD1 3.22Å; L251-I256 WeakPolarHBondContact O-CD1 3.26Å; P252-I256 PolarHBondContact O-N 3.06Å; L253-I256 HydrophobicContact CD1-CD1 4.36Å; L253-I256 WeakPolarHBondContact O-CB 3.41Å; L253-I256 PolarHBondContact O-N 3.4Å; I256-M259 PolarHBondContact O-N 3.15Å; I256-R260 WeakPolarHBondContact O-CB 3.32Å; I256-R260 PolarHBondContact O-N 2.82Å |
| 257 | T | 45.8 | Very low | 50.7 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 56% | 0.564 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 179 | -23 | 0 | 0 | 0 | 0 | 112.6 | L253 R255 M259 R260 K261 | L253-T257 PolarHBondContact O-N 3.48Å; L253-T257 PolarHBondContact O-OG1 2.77Å; R255-T257 VanDerWaalsContact C-N 3.3Å; R255-T257 PolarHBondContact O-N 3.07Å; T257-M259 VanDerWaalsContact C-N 3.28Å; T257-M259 PolarHBondContact O-N 3.36Å; T257-R260 PolarHBondContact O-N 3.08Å; T257-K261 PolarHBondContact O-N 3.29Å; T257-K261 VanDerWaalsContact O-N 3.08Å |
| 258 | T | 50.5 | Low | 50.5 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 49% | 0.485 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 175.5 | -47 | 0 | 0 | 0 | 0 | 111.3 | N254 R255 R262 | N254-T258 PolarHBondContact O-OG1 3.05Å; R255-T258 PolarHBondContact O-N 3.34Å; T258-R262 WeakPolarHBondContact O-CG 3.34Å; T258-R262 PolarHBondContact O-N 3.13Å |
| 259 | M | 50.9 | Low | 50 | Low | 6 Ų | 6 | 97.2 Ų | 97.2 | 3% | 0.03 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -73.7 | -42 | 178.2 | -60.4 | -98.1 | -74.7 | 0 | 0 | 111.6 | P169 L248 L251 R255 I256 T257 K261 R262 F263 | P169-M259 HydrophobicContact CB-CE 3.57Å; P169-M259 HydrophobicContact CB-SD 3.56Å; P169-M259 VanDerWaalsContact CB-SD 3.56Å; P169-M259 WeakPolarHBondContact O-CE 3.36Å; L248-M259 HydrophobicContact CD2-CE 4.04Å; L251-M259 HydrophobicContact CD1-CE 4.16Å; R255-M259 WeakPolarHBondContact O-CB 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.44Å; R255-M259 PolarHBondContact O-N 3.11Å; I256-M259 PolarHBondContact O-N 3.15Å; T257-M259 VanDerWaalsContact C-N 3.28Å; T257-M259 PolarHBondContact O-N 3.36Å; M259-K261 VanDerWaalsContact C-N 3.29Å; M259-K261 PolarHBondContact O-N 3.18Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.99Å; M259-R262 VanDerWaalsContact O-N 3.16Å; M259-F263 WeakPolarHBondContact O-CB 3.3Å; M259-F263 PolarHBondContact O-N 3.39Å |
| 260 | R | 51.7 | Low | 50.4 | Low | 190 Ų | 190 | 95.3 Ų | 95.3 | 72% | 0.717 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.6 | -37.1 | 170.9 | -90.7 | -176.7 | -176.3 | 152.3 | 2.7 | 112.9 | I256 T257 R262 F263 | I256-R260 WeakPolarHBondContact O-CB 3.32Å; I256-R260 PolarHBondContact O-N 2.82Å; T257-R260 PolarHBondContact O-N 3.08Å; R260-R262 VanDerWaalsContact C-N 3.32Å; R260-F263 PolarHBondContact O-N 3.3Å |
| 261 | K | 50.2 | Low | 50.5 | Low | 175 Ų | 175 | 93.3 Ų | 93.3 | 76% | 0.761 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.7 | -32.3 | 177.3 | -149.5 | 176.2 | -174.6 | -177.5 | 0 | 112 | T257 M259 | T257-K261 PolarHBondContact O-N 3.29Å; T257-K261 VanDerWaalsContact O-N 3.08Å; M259-K261 VanDerWaalsContact C-N 3.29Å; M259-K261 PolarHBondContact O-N 3.18Å |
| 262 | R | 52.7 | Low | 49.8 | Very low | 62 Ų | 62 | 100.7 Ų | 100.7 | 23% | 0.234 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -78.5 | -30.6 | 173 | -72.7 | -169.9 | -83.9 | -163.9 | -6.7 | 113.6 | D147 T258 M259 R260 R264 N265 L317 | D147-R262 IonicContact OD1-CZ 3.55Å; D147-R262 IonicContact OD1-NH1 2.93Å; D147-R262 PolarHBondContact OD1-NH1 2.95Å; D147-R262 IonicContact OD2-NH1 2.86Å; D147-R262 PolarHBondContact OD2-NH1 3.16Å; T258-R262 WeakPolarHBondContact O-CG 3.34Å; T258-R262 PolarHBondContact O-N 3.13Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.99Å; M259-R262 VanDerWaalsContact O-N 3.16Å; R260-R262 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 2.91Å; R262-N265 VanDerWaalsContact O-CB 3.31Å; R262-N265 WeakPolarHBondContact O-CB 3.43Å; R262-N265 PolarHBondContact O-N 2.98Å; R262-N265 PolarHBondContact O-ND2 3.17Å; R262-L317 HydrophobicContact CB-CD2 4.16Å |
| 263 | F | 50.4 | Low | 49.9 | Very low | 62 Ų | 62 | 100.5 Ų | 100.5 | 27% | 0.272 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -65.9 | -15.8 | 175.9 | -117.8 | -92.1 | 0 | 0 | 0 | 114.4 | N172 M259 R260 N265 Q276 | N172-F263 HydrophobicContact CB-CE2 3.55Å; N172-F263 HydrophobicContact CB-CZ 3.39Å; M259-F263 WeakPolarHBondContact O-CB 3.3Å; M259-F263 PolarHBondContact O-N 3.39Å; R260-F263 PolarHBondContact O-N 3.3Å; F263-N265 PolarHBondContact O-N 3.29Å; F263-Q276 PolarHBondContact O-NE2 3.34Å |
| 264 | R | 50.9 | Low | 50.4 | Low | 175 Ų | 175 | 99.9 Ų | 99.9 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -81.2 | 1.7 | 177 | -141 | 178.1 | 170.6 | -164.9 | -4.2 | 113.2 | R262 G266 | R262-R264 PolarHBondContact O-N 2.91Å; R264-G266 PolarHBondContact O-N 3.19Å |
| 265 | N | 51.1 | Low | 51.1 | Low | 17 Ų | 17 | 95.1 Ų | 95.1 | 9% | 0.091 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -85.5 | 10.8 | 177.8 | -60.9 | -8.4 | 0 | 0 | 0 | 113.4 | R262 F263 | R262-N265 VanDerWaalsContact O-CB 3.31Å; R262-N265 WeakPolarHBondContact O-CB 3.43Å; R262-N265 PolarHBondContact O-N 2.98Å; R262-N265 PolarHBondContact O-ND2 3.17Å; F263-N265 PolarHBondContact O-N 3.29Å |
| 266 | G | 50.7 | Low | 52.3 | Low | 9 Ų | 9 | 90.9 Ų | 90.9 | 9% | 0.093 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -64 | 142.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | R264 G268 | R264-G266 PolarHBondContact O-N 3.19Å; G266-G268 VanDerWaalsContact C-N 3.29Å; G266-G268 PolarHBondContact O-N 2.87Å |
| 267 | L | 49.5 | Very low | 53.8 | Low | 114 Ų | 114 | 92 Ų | 92 | 60% | 0.597 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -67.8 | 87.9 | 171.7 | -70.1 | 166.9 | 0 | 0 | 0 | 109.2 | R240 | R240-L267 HydrophobicContact CG-CD1 4.23Š|
| 268 | G | 45.4 | Very low | 55.5 | Low | 50 Ų | 50 | 88 Ų | 88 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 87.7 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G266 V270 | G266-G268 VanDerWaalsContact C-N 3.29Å; G266-G268 PolarHBondContact O-N 2.87Å; G268-V270 PolarHBondContact O-N 3.5Å |
| 269 | P | 44.7 | Very low | 57.1 | Low | 125 Ų | 125 | 85.1 Ų | 85.1 | 81% | 0.812 | 44% | 0.44 | S | S | * | . | trans | -65.2 | 128 | 178.1 | 26.4 | -31.5 | 0 | 0 | 0 | 109.9 | K271 | P269-K271 PolarHBondContact O-N 3.43Š| ||
| 270 | V | 52.3 | Low | 58.8 | Low | 90 Ų | 90 | 84.9 Ų | 84.9 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | trans | -60.9 | 111.3 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | G268 Q276 | G268-V270 PolarHBondContact O-N 3.5Å; V270-Q276 HydrophobicContact CG2-CB 4.42Å; V270-Q276 HydrophobicContact CG2-CG 4.38Å | ||
| 271 | K | 49.8 | Very low | 60.5 | Low | 139 Ų | 139 | 78.6 Ų | 78.6 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | trans | -71 | 132.5 | 164.8 | -69.6 | 179.9 | -179.7 | 173.9 | 0 | 107.5 | P269 G273 E274 | P269-K271 PolarHBondContact O-N 3.43Å; K271-G273 PolarHBondContact O-N 2.94Å; K271-E274 HydrophobicContact CB-CG 4.44Å; K271-E274 PolarHBondContact O-N 3.22Å | ||
| 272 | E | 41.1 | Very low | 62.3 | Low | 205 Ų | 205 | 70.3 Ų | 70.3 | 96% | 0.958 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 109.7 | -178.7 | -161.7 | 172.6 | -161.3 | 0 | 0 | 110 | ||
| 273 | G | 53.8 | Low | 63.9 | Low | 85 Ų | 85 | 68.8 Ų | 68.8 | 88% | 0.876 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108 | -8.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117 | K271 | K271-G273 PolarHBondContact O-N 2.94Š|
| 274 | E | 62.6 | Low | 65.6 | Low | 127 Ų | 127 | 65.9 Ų | 65.9 | 59% | 0.593 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -92 | 140.9 | 177.7 | -71.6 | 178.6 | -179.2 | 0 | 0 | 112.4 | K271 Q276 | K271-E274 HydrophobicContact CB-CG 4.44Å; K271-E274 PolarHBondContact O-N 3.22Å; E274-Q276 PolarHBondContact O-N 3.5Å |
| 275 | A | 66.9 | Low | 67.2 | Low | 38 Ų | 38 | 60 Ų | 60 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 124.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R242 Y277 | R242-A275 HydrophobicContact CG-CB 4.27Å; A275-Y277 HydrophobicContact CB-CE2 3.92Å; A275-Y277 WeakPolarHBondContact O-CD2 3.29Å; A275-Y277 VanDerWaalsContact O-CE2 3.29Å; A275-Y277 WeakPolarHBondContact O-CE2 3.47Å |
| 276 | Q | 77.4 | Confident | 68.7 | Low | 36 Ų | 36 | 59.3 Ų | 59.3 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -73 | 134 | 175.7 | -177.3 | 172.8 | -0.8 | 0 | 0 | 109.6 | C243 F263 V270 E274 | C243-Q276 HydrophobicContact CB-CB 4.2Å; C243-Q276 HydrophobicContact CB-CG 4.24Å; C243-Q276 PolarHBondContact N-O 3.49Å; F263-Q276 PolarHBondContact O-NE2 3.34Å; V270-Q276 HydrophobicContact CG2-CB 4.42Å; V270-Q276 HydrophobicContact CG2-CG 4.38Å; E274-Q276 PolarHBondContact O-N 3.5Å |
| 277 | Y | 80.4 | Confident | 70.1 | Confident | 57 Ų | 57 | 62 Ų | 62 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.4 | 174.9 | -67.5 | -90.4 | 0 | 0 | 0 | 111.1 | H188 R240 M241 R242 A275 | H188-Y277 HydrophobicContact CB-CD1 3.98Å; H188-Y277 HydrophobicContact CB-CE1 3.92Å; H188-Y277 AromaticContact CD2-CD2 3.89Å; H188-Y277 AromaticContact CD2-CE2 3.78Å; H188-Y277 AromaticContact CD2-CZ 3.9Å; R240-Y277 HydrophobicContact CB-CD1 4.42Å; M241-Y277 CarbonylContact O-C 3.54Å; M241-Y277 VanDerWaalsContact O-CA 3.32Å; M241-Y277 WeakPolarHBondContact O-CA 3.44Å; R242-Y277 HydrophobicContact CB-CD1 4.29Å; R242-Y277 HydrophobicContact CB-CE1 3.99Å; A275-Y277 HydrophobicContact CB-CE2 3.92Å; A275-Y277 WeakPolarHBondContact O-CD2 3.29Å; A275-Y277 VanDerWaalsContact O-CE2 3.29Å; A275-Y277 WeakPolarHBondContact O-CE2 3.47Å |
| 278 | A | 81.6 | Confident | 71.2 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R240 M241 C243 V280 L317 | R240-A278 CarbonylContact C-O 3.53Å; R240-A278 WeakPolarHBondContact CA-O 3.49Å; M241-A278 PolarHBondContact N-O 2.9Å; M241-A278 PolarHBondContact O-N 3.46Å; C243-A278 WeakPolarHBondContact SG-CB 3.37Å; A278-V280 PolarHBondContact O-N 3.39Å; A278-L317 HydrophobicContact CB-CD1 3.64Å |
| 279 | V | 84.1 | Confident | 72.1 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.5 | -179.3 | -178 | 0 | 0 | 0 | 0 | 109.6 | I238 R240 Q318 T320 | I238-V279 HydrophobicContact CG2-CG1 3.37Å; R240-V279 HydrophobicContact CG-CG2 4.22Å; V279-Q318 HydrophobicContact CG1-CB 4.26Å; V279-Q318 PolarHBondContact O-N 3.47Å; V279-T320 HydrophobicContact CB-CG2 4.02Å; V279-T320 HydrophobicContact CG2-CG2 3.92Å |
| 280 | V | 86.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126 | -179.2 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | F149 L171 C239 M241 A278 G315 R316 L317 | F149-V280 HydrophobicContact CE1-CG1 4.19Å; L171-V280 HydrophobicContact CD2-CG2 4.02Å; C239-V280 PolarHBondContact N-O 2.86Å; C239-V280 PolarHBondContact O-N 3.45Å; M241-V280 HydrophobicContact CB-CG2 3.93Å; M241-V280 HydrophobicContact CG-CB 4.16Å; M241-V280 HydrophobicContact CG-CG2 4.03Å; M241-V280 HydrophobicContact SD-CB 3.73Å; M241-V280 HydrophobicContact SD-CG1 3.81Å; M241-V280 HydrophobicContact SD-CG2 3.74Å; A278-V280 PolarHBondContact O-N 3.39Å; V280-G315 VanDerWaalsContact CG1-CA 3.49Å; V280-R316 WeakPolarHBondContact CA-O 3.44Å; V280-L317 HydrophobicContact CG2-CD1 4.4Å |
| 281 | H | 87.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 112 | 170.6 | -176.6 | -131.1 | 0 | 0 | 0 | 109.4 | S236 F237 I238 T283 R316 | S236-H281 PolarHBondContact OG-CE1 2.87Å; S236-H281 PolarHBondContact OG-NE2 2.95Å; F237-H281 PolarHBondContact O-CD2 3.16Å; I238-H281 HydrophobicContact CG1-CB 4.4Å; H281-T283 WeakPolarHBondContact CE1-CG2 3.34Å; H281-R316 PolarHBondContact N-O 3.14Å; H281-R316 PolarHBondContact O-N 3.3Å |
| 282 | C | 88.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.1 | 179.9 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | F151 S236 F237 I314 | F151-C282 HydrophobicContact CZ-CB 4.21Å; S236-C282 CarbonylContact C-O 3.39Å; S236-C282 VanDerWaalsContact CA-O 3.31Å; S236-C282 WeakPolarHBondContact CA-O 3.26Å; F237-C282 HydrophobicContact CD1-CB 4.34Å; F237-C282 HydrophobicContact CD2-CB 3.94Å; F237-C282 HydrophobicContact CE1-CB 3.92Å; F237-C282 HydrophobicContact CE2-CB 3.46Å; F237-C282 VanDerWaalsContact CE2-CB 3.46Å; F237-C282 HydrophobicContact CG-CB 4.35Å; F237-C282 HydrophobicContact CZ-CB 3.45Å; F237-C282 VanDerWaalsContact CZ-CB 3.45Å; F237-C282 PolarHBondContact N-O 3.06Å; F237-C282 PolarHBondContact O-N 3.28Å; C282-I314 WeakPolarHBondContact CA-O 2.89Å |
| 283 | T | 87.1 | Confident | 72.4 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.3 | 175.9 | 56.6 | 0 | 0 | 0 | 0 | 109.6 | S236 H281 A313 I314 | S236-T283 WeakPolarHBondContact OG-CG2 3.33Å; H281-T283 WeakPolarHBondContact CE1-CG2 3.34Å; T283-A313 CarbonylContact O-C 3.56Å; T283-A313 WeakPolarHBondContact O-CA 3.37Å; T283-I314 PolarHBondContact N-O 3.34Å; T283-I314 PolarHBondContact O-N 2.56Å |
| 284 | G | 86.4 | Confident | 71.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | -173 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R234 R235 V312 | R234-G284 CarbonylContact C-O 3.56Å; R234-G284 WeakPolarHBondContact CA-O 3.49Å; R235-G284 PolarHBondContact N-O 3.5Å; R235-G284 PolarHBondContact O-N 2.89Å; G284-V312 CarbonylContact C-O 3.49Å; G284-V312 WeakPolarHBondContact CA-O 3.42Å |
| 285 | Y | 83 | Confident | 70.7 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 21% | 0.208 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143.5 | 179.2 | -59.9 | -89.4 | 0 | 0 | 0 | 110.5 | S233 R234 V312 L375 | S233-Y285 WeakPolarHBondContact O-CA 3.21Å; R234-Y285 HydrophobicContact CB-CD1 3.87Å; R234-Y285 HydrophobicContact CB-CE1 3.55Å; R234-Y285 HydrophobicContact CG-CD1 4.2Å; R234-Y285 HydrophobicContact CG-CE1 3.64Å; Y285-V312 PolarHBondContact N-O 3.05Å; Y285-V312 PolarHBondContact O-N 2.94Å; Y285-L375 HydrophobicContact CD1-CD2 4.04Å; Y285-L375 HydrophobicContact CD2-CD2 4.27Å; Y285-L375 HydrophobicContact CE1-CD2 3.51Å; Y285-L375 HydrophobicContact CE1-CG 4.36Å; Y285-L375 HydrophobicContact CE2-CD2 3.78Å; Y285-L375 HydrophobicContact CE2-CG 4.48Å; Y285-L375 HydrophobicContact CG-CD2 4.39Å |
| 286 | I | 83.9 | Confident | 69.9 | Low | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.5 | 172.4 | -57.5 | -64 | 0 | 0 | 0 | 108.8 | T201 C230 G232 S233 R235 Y309 C310 L311 | T201-I286 HydrophobicContact CG2-CG2 4.1Å; C230-I286 WeakPolarHBondContact O-CB 3.44Å; C230-I286 WeakPolarHBondContact O-CG2 3.04Å; G232-I286 WeakPolarHBondContact CA-O 3.38Å; G232-I286 PolarHBondContact N-O 2.89Å; S233-I286 PolarHBondContact O-N 2.72Å; S233-I286 VanDerWaalsContact O-N 3.09Å; R235-I286 HydrophobicContact CG-CD1 4.21Å; R235-I286 HydrophobicContact CG-CG1 3.97Å; I286-Y309 HydrophobicContact CG2-CG 4.47Å; I286-C310 CarbonylContact C-O 3.45Å; I286-C310 WeakPolarHBondContact CA-O 3.34Å; I286-L311 HydrophobicContact CD1-CB 3.78Å; I286-L311 HydrophobicContact CD1-CD1 3.74Å; I286-L311 HydrophobicContact CD1-CG 4.34Å |
| 287 | K | 79.4 | Confident | 68.2 | Low | 66 Ų | 66 | 51.2 Ų | 51.2 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 155.9 | 177.1 | -165.4 | 162 | -177.5 | 149.8 | 0 | 110.1 | Y309 C310 V312 E379 L382 | K287-Y309 CarbonylContact O-C 3.58Å; K287-Y309 VanDerWaalsContact O-CA 3.26Å; K287-Y309 WeakPolarHBondContact O-CA 3.43Å; K287-C310 PolarHBondContact N-O 3.13Å; K287-C310 PolarHBondContact O-N 3.26Å; K287-V312 HydrophobicContact CB-CG2 4.42Å; K287-E379 IonicContact NZ-OE1 2.64Å; K287-E379 PolarHBondContact NZ-OE1 2.97Å; K287-L382 HydrophobicContact CD-CD1 3.87Å |
| 288 | A | 73.1 | Confident | 66.4 | Low | 33 Ų | 33 | 57.2 Ų | 57.2 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 143.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M231 K308 Y309 | M231-A288 HydrophobicContact CE-CB 3.88Å; A288-K308 CarbonylContact C-O 3.34Å; A288-K308 WeakPolarHBondContact CA-O 3.41Å; A288-K308 WeakPolarHBondContact CB-O 3.43Å; A288-Y309 HydrophobicContact CB-CD1 4.38Å |
| 289 | W | 63.8 | Low | 64.8 | Low | 61 Ų | 61 | 66 Ų | 66 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -132.4 | 140.1 | 175.6 | -172 | -103.1 | 0 | 0 | 0 | 109 | I161 P291 S307 K308 C310 Q386 | I161-W289 HydrophobicContact CD1-CD2 4.39Å; I161-W289 HydrophobicContact CD1-CG 4.39Å; I161-W289 HydrophobicContact CG2-CH2 4.39Å; I161-W289 HydrophobicContact CG2-CZ2 4.02Å; W289-P291 HydrophobicContact CZ3-CG 4.48Å; W289-S307 CarbonylContact C-O 3.59Å; W289-K308 PolarHBondContact N-O 2.98Å; W289-K308 CarbonylContact O-C 3.56Å; W289-K308 VanDerWaalsContact O-CA 3.26Å; W289-K308 WeakPolarHBondContact O-CA 3.45Å; W289-C310 HydrophobicContact CB-CB 4.09Å; W289-Q386 HydrophobicContact CZ3-CG 4.21Å |
| 290 | P | 55.7 | Low | 62.8 | Low | 59 Ų | 59 | 71.7 Ų | 71.7 | 38% | 0.383 | 41% | 0.413 | S | S | . | . | S | Bend | cis | -65.3 | 153.9 | -17.7 | -9.4 | 25.4 | 0 | 0 | 0 | 111.3 | M294 | P290-M294 HydrophobicContact CB-CB 4.1Š|
| 291 | P | 52.4 | Low | 60.6 | Low | 35 Ų | 35 | 75.4 Ų | 75.4 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | trans | -60.4 | 143.3 | 170.2 | -11.3 | 24.7 | 0 | 0 | 0 | 110 | W289 G293 M294 Q386 | W289-P291 HydrophobicContact CZ3-CG 4.48Å; P291-G293 PolarHBondContact O-N 3.38Å; P291-M294 PolarHBondContact O-N 2.86Å; P291-Q386 HydrophobicContact CG-CG 4.34Å | ||
| 292 | A | 40.9 | Very low | 58.3 | Low | 117 Ų | 117 | 80.4 Ų | 80.4 | 97% | 0.967 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 115.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 293 | G | 45 | Very low | 56 | Low | 77 Ų | 77 | 86 Ų | 86 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116 | 2.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | P291 | P291-G293 PolarHBondContact O-N 3.38Š|
| 294 | M | 41.9 | Very low | 53.7 | Low | 47 Ų | 47 | 87 Ų | 87 | 23% | 0.232 | 52% | 0.523 | C | S | . | . | trans | -103.3 | 111.7 | 173.7 | -125.1 | 85.9 | 155.1 | 0 | 0 | 111.1 | P290 P291 Q386 R390 | P290-M294 HydrophobicContact CB-CB 4.1Å; P291-M294 PolarHBondContact O-N 2.86Å; M294-Q386 HydrophobicContact CE-CB 4.23Å; M294-R390 HydrophobicContact CE-CG 3.95Å; M294-R390 PolarHBondContact SD-NH2 3.4Å | ||
| 295 | T | 39.5 | Very low | 51.6 | Low | 138 Ų | 138 | 96.5 Ų | 96.5 | 85% | 0.847 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 116.5 | 163.2 | 52.6 | 0 | 0 | 0 | 0 | 108.3 | ||
| 296 | I | 49.5 | Very low | 49.7 | Very low | 107 Ų | 107 | 94.6 Ų | 94.6 | 55% | 0.549 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 140.1 | 173.9 | -58.6 | 178.7 | 0 | 0 | 0 | 107.9 | ||
| 297 | P | 40.9 | Very low | 48.3 | Very low | 109 Ų | 109 | 96.4 Ų | 96.4 | 71% | 0.708 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 137.8 | 173.2 | -20.5 | 31.4 | 0 | 0 | 0 | 111.5 | E299 | P297-E299 PolarHBondContact O-N 3.35Š|
| 298 | E | 44 | Very low | 47.8 | Very low | 182 Ų | 182 | 99.9 Ų | 99.9 | 85% | 0.85 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 33.2 | -170.5 | -60.3 | -154.1 | 136.5 | 0 | 0 | 115.7 | ||
| 299 | E | 46.8 | Very low | 48.1 | Very low | 191 Ų | 191 | 100.4 Ų | 100.4 | 89% | 0.893 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -8.9 | 175.9 | -84.7 | -164.5 | 112.6 | 0 | 0 | 114.8 | P297 | P297-E299 PolarHBondContact O-N 3.35Š|
| 300 | D | 43.7 | Very low | 49.1 | Very low | 139 Ų | 139 | 97.6 Ų | 97.6 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -116.5 | 29.2 | 174.5 | -82.5 | -46.1 | 0 | 0 | 0 | 112.6 | D302 | D300-D302 PolarHBondContact O-N 2.93Š|
| 301 | A | 39.5 | Very low | 50.6 | Low | 79 Ų | 79 | 94.9 Ų | 94.9 | 65% | 0.653 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 1.8 | -173 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 302 | D | 38 | Very low | 52.2 | Low | 164 Ų | 164 | 93.4 Ų | 93.4 | 88% | 0.877 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.3 | 180 | -146.6 | 35.3 | 0 | 0 | 0 | 113.8 | D300 G304 | D300-D302 PolarHBondContact O-N 2.93Å; D302-G304 PolarHBondContact O-N 2.95Å |
| 303 | V | 42.1 | Very low | 54.5 | Low | 116 Ų | 116 | 87.9 Ų | 87.9 | 70% | 0.703 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -101.1 | 77.6 | 171.7 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 304 | G | 37.8 | Very low | 56.5 | Low | 53 Ų | 53 | 85.1 Ų | 85.1 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | trans | -52.9 | 148 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | D302 G306 | D302-G304 PolarHBondContact O-N 2.95Å; G304-G306 WeakPolarHBondContact O-CA 3.25Å; G304-G306 PolarHBondContact O-N 3.45Å | ||
| 305 | Q | 43.1 | Very low | 58.7 | Low | 200 Ų | 200 | 82.9 Ų | 82.9 | 94% | 0.935 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 39.9 | 5.6 | 146 | -68.3 | -173.2 | -23.2 | 0 | 0 | 121.6 | ||
| 306 | G | 42.5 | Very low | 60.8 | Low | 13 Ų | 13 | 81.6 Ų | 81.6 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | trans | -126.8 | 42.6 | -154.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E156 G304 | E156-G306 VanDerWaalsContact CB-O 3.28Å; E156-G306 WeakPolarHBondContact CB-O 3.42Å; E156-G306 VanDerWaalsContact CD-C 3.41Å; E156-G306 VanDerWaalsContact CD-CA 3.41Å; E156-G306 WeakPolarHBondContact CG-O 3.26Å; E156-G306 WeakPolarHBondContact OE1-CA 3.43Å; E156-G306 WeakPolarHBondContact OE2-CA 3.35Å; G304-G306 WeakPolarHBondContact O-CA 3.25Å; G304-G306 PolarHBondContact O-N 3.45Å | ||
| 307 | S | 54.4 | Low | 62.2 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 27% | 0.266 | 42% | 0.417 | S | S | . | . | trans | -148.8 | 57.1 | 166.4 | -73.5 | 0 | 0 | 0 | 0 | 110.7 | W289 Y309 | W289-S307 CarbonylContact C-O 3.59Å; S307-Y309 PolarHBondContact O-N 3.15Å | ||
| 308 | K | 68.3 | Low | 63.8 | Low | 140 Ų | 140 | 75.7 Ų | 75.7 | 61% | 0.609 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -65.6 | -16.4 | 175.7 | -67.3 | -178.7 | -176.2 | 175.5 | 0 | 112.8 | A288 W289 | A288-K308 CarbonylContact C-O 3.34Å; A288-K308 WeakPolarHBondContact CA-O 3.41Å; A288-K308 WeakPolarHBondContact CB-O 3.43Å; W289-K308 PolarHBondContact N-O 2.98Å; W289-K308 CarbonylContact O-C 3.56Å; W289-K308 VanDerWaalsContact O-CA 3.26Å; W289-K308 WeakPolarHBondContact O-CA 3.45Å |
| 309 | Y | 79.9 | Confident | 64.6 | Low | 44 Ų | 44 | 71.8 Ų | 71.8 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.3 | -175.3 | -51.4 | -69.9 | 0 | 0 | 0 | 111.9 | A155 M231 I286 K287 A288 S307 | A155-Y309 WeakPolarHBondContact CB-O 3.29Å; A155-Y309 PolarHBondContact N-O 3.29Å; M231-Y309 HydrophobicContact CG-CD1 4.19Å; M231-Y309 HydrophobicContact CG-CE1 3.56Å; M231-Y309 HydrophobicContact SD-CE1 4.03Å; I286-Y309 HydrophobicContact CG2-CG 4.47Å; K287-Y309 CarbonylContact O-C 3.58Å; K287-Y309 VanDerWaalsContact O-CA 3.26Å; K287-Y309 WeakPolarHBondContact O-CA 3.43Å; A288-Y309 HydrophobicContact CB-CD1 4.38Å; S307-Y309 PolarHBondContact O-N 3.15Å |
| 310 | C | 86.2 | Confident | 64.7 | Low | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.6 | 170.8 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | V152 V153 I161 I286 K287 W289 | V152-C310 HydrophobicContact CG1-CB 3.96Å; V153-C310 CarbonylContact O-C 3.5Å; V153-C310 WeakPolarHBondContact O-CA 3.47Å; V153-C310 VanDerWaalsContact O-CB 3.25Å; V153-C310 WeakPolarHBondContact O-CB 3.44Å; I161-C310 HydrophobicContact CD1-CB 4.3Å; I286-C310 CarbonylContact C-O 3.45Å; I286-C310 WeakPolarHBondContact CA-O 3.34Å; K287-C310 PolarHBondContact N-O 3.13Å; K287-C310 PolarHBondContact O-N 3.26Å; W289-C310 HydrophobicContact CB-CB 4.09Å |
| 311 | L | 86.4 | Confident | 64.5 | Low | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129 | 165.4 | 172.6 | 68.9 | 0 | 0 | 0 | 107.8 | V152 V153 L199 R235 F237 I286 A313 | V152-L311 WeakPolarHBondContact CA-O 2.75Å; V153-L311 HydrophobicContact CG2-CB 3.79Å; V153-L311 HydrophobicContact CG2-CD2 4.26Å; V153-L311 HydrophobicContact CG2-CG 4.44Å; V153-L311 PolarHBondContact N-O 2.99Å; V153-L311 PolarHBondContact O-N 3.48Å; L199-L311 HydrophobicContact CD2-CB 3.68Å; L199-L311 HydrophobicContact CD2-CD2 3.57Å; L199-L311 HydrophobicContact CD2-CG 4.25Å; R235-L311 HydrophobicContact CB-CD1 4.07Å; R235-L311 HydrophobicContact CG-CD1 4.38Å; F237-L311 HydrophobicContact CE1-CD2 3.92Å; F237-L311 HydrophobicContact CZ-CD2 4.26Å; I286-L311 HydrophobicContact CD1-CB 3.78Å; I286-L311 HydrophobicContact CD1-CD1 3.74Å; I286-L311 HydrophobicContact CD1-CG 4.34Å; L311-A313 HydrophobicContact CD1-CB 4.36Å; L311-A313 HydrophobicContact CD2-CB 4.16Å; L311-A313 HydrophobicContact CG-CB 4.06Å |
| 312 | V | 86.8 | Confident | 64.4 | Low | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.5 | 170.8 | -156.7 | 0 | 0 | 0 | 0 | 108.2 | L150 V152 G284 Y285 K287 W378 L382 | L150-V312 HydrophobicContact CD1-CG1 4.29Å; V152-V312 HydrophobicContact CG1-CG2 4.35Å; V152-V312 HydrophobicContact CG2-CG1 3.67Å; V152-V312 HydrophobicContact CG2-CG2 4.49Å; G284-V312 CarbonylContact C-O 3.49Å; G284-V312 WeakPolarHBondContact CA-O 3.42Å; Y285-V312 PolarHBondContact N-O 3.05Å; Y285-V312 PolarHBondContact O-N 2.94Å; K287-V312 HydrophobicContact CB-CG2 4.42Å; V312-W378 HydrophobicContact CB-CH2 4.16Å; V312-W378 HydrophobicContact CB-CZ3 3.81Å; V312-W378 HydrophobicContact CG1-CE3 4.35Å; V312-W378 HydrophobicContact CG1-CH2 3.7Å; V312-W378 HydrophobicContact CG1-CZ3 3.25Å; V312-L382 HydrophobicContact CB-CD1 4.17Å; V312-L382 HydrophobicContact CB-CD2 4.17Å; V312-L382 HydrophobicContact CB-CG 4.45Å; V312-L382 HydrophobicContact CG1-CD1 4.24Å; V312-L382 HydrophobicContact CG1-CD2 3.85Å; V312-L382 HydrophobicContact CG1-CG 4.06Å; V312-L382 HydrophobicContact CG2-CD1 3.92Å; V312-L382 HydrophobicContact CG2-CD2 3.46Å; V312-L382 VanDerWaalsContact CG2-CD2 3.46Å; V312-L382 HydrophobicContact CG2-CG 4.14Å |
| 313 | A | 87.6 | Confident | 64.2 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 153.2 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | F151 T283 L311 | F151-A313 HydrophobicContact CE1-CB 4.03Å; F151-A313 HydrophobicContact CE2-CB 3.9Å; F151-A313 HydrophobicContact CZ-CB 3.63Å; F151-A313 PolarHBondContact N-O 2.85Å; F151-A313 PolarHBondContact O-N 3.24Å; F151-A313 VanDerWaalsContact O-O 3.11Å; T283-A313 CarbonylContact O-C 3.56Å; T283-A313 WeakPolarHBondContact O-CA 3.37Å; L311-A313 HydrophobicContact CD1-CB 4.36Å; L311-A313 HydrophobicContact CD2-CB 4.16Å; L311-A313 HydrophobicContact CG-CB 4.06Å |
| 314 | I | 87.6 | Confident | 63.6 | Low | 20 Ų | 20 | 59 Ų | 59 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.8 | 167.6 | -67.1 | 160.3 | 0 | 0 | 0 | 107.2 | I142 F149 L150 C282 T283 R316 W378 | I142-I314 HydrophobicContact CG2-CD1 4.4Å; F149-I314 CarbonylContact O-C 3.41Å; F149-I314 WeakPolarHBondContact O-CA 3.49Å; L150-I314 HydrophobicContact CD1-CG1 3.82Å; C282-I314 WeakPolarHBondContact CA-O 2.89Å; T283-I314 PolarHBondContact N-O 3.34Å; T283-I314 PolarHBondContact O-N 2.56Å; I314-R316 HydrophobicContact CG2-CG 3.94Å; I314-W378 HydrophobicContact CB-CZ2 4.37Å; I314-W378 HydrophobicContact CD1-CH2 4.3Å; I314-W378 HydrophobicContact CD1-CZ2 3.41Å; I314-W378 VanDerWaalsContact CD1-CZ2 3.41Å; I314-W378 HydrophobicContact CG1-CH2 4.01Å; I314-W378 HydrophobicContact CG1-CZ2 3.47Å; I314-W378 VanDerWaalsContact CG1-CZ2 3.47Å |
| 315 | G | 87.4 | Confident | 63.1 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G148 F149 V280 | G148-G315 CarbonylContact C-O 3.49Å; G148-G315 WeakPolarHBondContact CA-O 3.44Å; F149-G315 WeakPolarHBondContact CD1-O 3.34Å; F149-G315 PolarHBondContact N-O 3.33Å; F149-G315 PolarHBondContact O-N 3.05Å; V280-G315 VanDerWaalsContact CG1-CA 3.49Å |
| 316 | R | 85.1 | Confident | 62.4 | Low | 110 Ų | 110 | 60 Ų | 60 | 42% | 0.415 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.9 | 175 | -61.7 | -178 | 68.5 | 164.2 | -2.9 | 109.4 | A146 V280 H281 I314 Q318 | A146-R316 VanDerWaalsContact CA-NH2 3.32Å; A146-R316 HydrophobicContact CB-CG 4.37Å; A146-R316 PolarHBondContact O-NE 3.18Å; A146-R316 PolarHBondContact O-NH2 2.95Å; V280-R316 WeakPolarHBondContact CA-O 3.44Å; H281-R316 PolarHBondContact N-O 3.14Å; H281-R316 PolarHBondContact O-N 3.3Å; I314-R316 HydrophobicContact CG2-CG 3.94Å; R316-Q318 PolarHBondContact O-N 3.01Å |
| 317 | L | 79.3 | Confident | 61.8 | Low | 20 Ų | 20 | 66.9 Ų | 66.9 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 116.4 | 175.8 | -173.6 | 68.6 | 0 | 0 | 0 | 108.7 | D147 V170 R262 A278 V280 V319 | D147-L317 PolarHBondContact O-N 2.61Å; V170-L317 HydrophobicContact CG1-CB 4.08Å; R262-L317 HydrophobicContact CB-CD2 4.16Å; A278-L317 HydrophobicContact CB-CD1 3.64Å; V280-L317 HydrophobicContact CG2-CD1 4.4Å; L317-V319 PolarHBondContact O-N 3.33Å |
| 318 | Q | 73.7 | Confident | 60.5 | Low | 73 Ų | 73 | 76.7 Ų | 76.7 | 34% | 0.341 | 41% | 0.405 | S | S | . | . | trans | -81.3 | 118.5 | 174.8 | -169.4 | 171.4 | -13.4 | 0 | 0 | 107.7 | V279 R316 T320 | V279-Q318 HydrophobicContact CG1-CB 4.26Å; V279-Q318 PolarHBondContact O-N 3.47Å; R316-Q318 PolarHBondContact O-N 3.01Å; Q318-T320 VanDerWaalsContact C-N 3.29Å; Q318-T320 PolarHBondContact O-N 3.01Å | ||
| 319 | V | 60.2 | Low | 58.7 | Low | 99 Ų | 99 | 79.1 Ų | 79.1 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | trans | -70.6 | 95.4 | 170 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | L317 S321 | L317-V319 PolarHBondContact O-N 3.33Å; V319-S321 PolarHBondContact O-N 3.49Å | ||
| 320 | T | 49.1 | Very low | 56.2 | Low | 35 Ų | 35 | 81.8 Ų | 81.8 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | trans | -67.4 | 117.9 | 167.6 | 55 | 0 | 0 | 0 | 0 | 106.1 | V279 Q318 S322 | V279-T320 HydrophobicContact CB-CG2 4.02Å; V279-T320 HydrophobicContact CG2-CG2 3.92Å; Q318-T320 VanDerWaalsContact C-N 3.29Å; Q318-T320 PolarHBondContact O-N 3.01Å; T320-S322 PolarHBondContact O-N 3.3Å | ||
| 321 | S | 39.9 | Very low | 53.4 | Low | 118 Ų | 118 | 87.3 Ų | 87.3 | 83% | 0.825 | 48% | 0.482 | S | S | * | . | trans | -69.5 | 73.2 | 166.4 | 54.1 | 0 | 0 | 0 | 0 | 108 | V319 | V319-S321 PolarHBondContact O-N 3.49Š| ||
| 322 | S | 37.1 | Very low | 50.6 | Low | 64 Ų | 64 | 92.2 Ų | 92.2 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | trans | -72 | 127.8 | 164.6 | 58.6 | 0 | 0 | 0 | 0 | 107.1 | T320 V324 | T320-S322 PolarHBondContact O-N 3.3Å; S322-V324 PolarHBondContact O-N 3.44Å | ||
| 323 | P | 34.5 | Very low | 48 | Very low | 110 Ų | 110 | 100.5 Ų | 100.5 | 71% | 0.714 | 57% | 0.566 | S | S | * | * | trans | -63.4 | 133 | 174 | 27.5 | -30.5 | 0 | 0 | 0 | 107.2 | C325 | P323-C325 PolarHBondContact O-N 2.94Š| ||
| 324 | V | 29.4 | Very low | 45.1 | Very low | 93 Ų | 93 | 106.2 Ų | 106.2 | 56% | 0.564 | 61% | 0.606 | S | S | * | * | trans | -56.6 | 103.6 | 173 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | S322 M326 | S322-V324 PolarHBondContact O-N 3.44Å; V324-M326 HydrophobicContact CG1-CG 3.56Å; V324-M326 PolarHBondContact O-N 3.44Å | ||
| 325 | C | 27.6 | Very low | 42.2 | Very low | 124 Ų | 124 | 108.3 Ų | 108.3 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | trans | -69.3 | 90 | 163 | -70.6 | 0 | 0 | 0 | 0 | 106.7 | P323 | P323-C325 PolarHBondContact O-N 2.94Š| ||
| 326 | M | 28.4 | Very low | 39.3 | Very low | 151 Ų | 151 | 114.6 Ų | 114.6 | 74% | 0.744 | 67% | 0.671 | S | S | * | * | trans | -80.4 | 136.4 | 156.3 | -62.5 | -144.4 | 87.9 | 0 | 0 | 107.7 | V324 R328 | V324-M326 HydrophobicContact CG1-CG 3.56Å; V324-M326 PolarHBondContact O-N 3.44Å; M326-R328 PolarHBondContact O-N 2.95Å | ||
| 327 | D | 30 | Very low | 37 | Very low | 158 Ų | 158 | 114 Ų | 114 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | trans | -44.9 | 122.6 | -178 | -60.6 | -61.9 | 0 | 0 | 0 | 113.3 | ||||
| 328 | R | 27.1 | Very low | 34.5 | Very low | 244 Ų | 244 | 119.7 Ų | 119.7 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -133 | 82.8 | 150.9 | -90.4 | 177 | 87.4 | 161.2 | 2.7 | 107.9 | M326 S330 | M326-R328 PolarHBondContact O-N 2.95Å; R328-S330 PolarHBondContact O-N 3.41Å | ||
| 329 | E | 29.1 | Very low | 32.3 | Very low | 190 Ų | 190 | 122 Ų | 122 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -67.3 | 106.9 | 154.9 | -173.1 | 171.7 | -164.6 | 0 | 0 | 107.8 | ||||
| 330 | S | 26.9 | Very low | 30.7 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 170.8 | 123.2 | 134.6 | 34.5 | 0 | 0 | 0 | 0 | 112 | R328 | R328-S330 PolarHBondContact O-N 3.41Š| ||
| 331 | S | 28.3 | Very low | 29.6 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 60.9 | 104.9 | 152.7 | 61.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 332 | A | 27.5 | Very low | 29.1 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | 170.8 | 135.6 | 100.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 333 | L | 31.7 | Very low | 28.8 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 145 | 174.5 | -68.5 | 137.2 | 0 | 0 | 0 | 112.5 | ||||
| 334 | S | 26.4 | Very low | 28.7 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | 158.8 | 126.3 | 127.4 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 335 | G | 27.5 | Very low | 28.6 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | -67 | 156 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 336 | T | 26.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | -167.6 | 131.9 | 125.5 | 39.7 | 0 | 0 | 0 | 0 | 106.8 | N338 | T336-N338 PolarHBondContact O-N 3.49Š| |||
| 337 | A | 36.8 | Very low | 28.9 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -53.5 | 128.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 338 | N | 26.4 | Very low | 29.1 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -134.8 | 126.4 | 158.4 | -88.2 | -29.8 | 0 | 0 | 0 | 107.7 | T336 I340 | T336-N338 PolarHBondContact O-N 3.49Å; N338-I340 PolarHBondContact O-N 3.14Å | ||
| 339 | P | 29 | Very low | 29.2 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -71.1 | 125.6 | 176.2 | 29.2 | -30.8 | 0 | 0 | 0 | 108.9 | S341 | P339-S341 VanDerWaalsContact C-N 3.34Å; P339-S341 PolarHBondContact O-N 2.92Å | ||
| 340 | I | 25.3 | Very low | 29.4 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | trans | -73.3 | 91.5 | 173.4 | -66 | 172.2 | 0 | 0 | 0 | 107.2 | N338 V342 | N338-I340 PolarHBondContact O-N 3.14Å; I340-V342 VanDerWaalsContact C-N 3.29Å; I340-V342 HydrophobicContact CG2-CB 4.34Å; I340-V342 HydrophobicContact CG2-CG2 3.16Å; I340-V342 PolarHBondContact O-N 2.8Å; I340-V342 VanDerWaalsContact O-N 3.13Å | ||
| 341 | S | 27 | Very low | 29.6 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -74.6 | 84.5 | 161.2 | 53.8 | 0 | 0 | 0 | 0 | 108.1 | P339 Q343 | P339-S341 VanDerWaalsContact C-N 3.34Å; P339-S341 PolarHBondContact O-N 2.92Å; S341-Q343 PolarHBondContact O-N 2.76Å | ||
| 342 | V | 29.8 | Very low | 29.7 | Very low | 111 Ų | 111 | 124 Ų | 124 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | trans | -74.7 | 94.6 | 171.3 | 173.7 | 0 | 0 | 0 | 0 | 108.7 | I340 Q344 | I340-V342 VanDerWaalsContact C-N 3.29Å; I340-V342 HydrophobicContact CG2-CB 4.34Å; I340-V342 HydrophobicContact CG2-CG2 3.16Å; I340-V342 PolarHBondContact O-N 2.8Å; I340-V342 VanDerWaalsContact O-N 3.13Å; V342-Q344 PolarHBondContact O-N 3.49Å | ||
| 343 | Q | 29 | Very low | 29.6 | Very low | 159 Ų | 159 | 130 Ų | 130 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 4.6 | 87.7 | 139.7 | -143.2 | 133.4 | -3.7 | 0 | 0 | 114.5 | S341 D345 | S341-Q343 PolarHBondContact O-N 2.76Å; Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 2.89Å | ||
| 344 | Q | 32.6 | Very low | 29.4 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | -95.7 | 30.3 | -179.6 | -157.7 | 169.8 | 7 | 0 | 0 | 111.2 | V342 I348 | V342-Q344 PolarHBondContact O-N 3.49Å; Q344-I348 HydrophobicContact CG-CD1 4.46Å; Q344-I348 WeakPolarHBondContact O-CD1 3.43Å | ||
| 345 | D | 28.9 | Very low | 29.7 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | trans | -118.2 | -7.7 | -167.9 | -69.7 | -33.1 | 0 | 0 | 0 | 115.3 | Q343 | Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 2.89Å | ||
| 346 | S | 29.7 | Very low | 30.5 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -100.7 | -2.8 | -169.3 | -53.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 347 | V | 31.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -120.6 | -12.7 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 112.9 | S349 | V347-S349 VanDerWaalsContact C-N 3.34Š|
| 348 | I | 34.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 138 Ų | 138 | 50% | 0.503 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -76.3 | -24.3 | 176.5 | -61.5 | 177.8 | 0 | 0 | 0 | 111.4 | Q344 L350 W351 | Q344-I348 HydrophobicContact CG-CD1 4.46Å; Q344-I348 WeakPolarHBondContact O-CD1 3.43Å; I348-L350 PolarHBondContact O-N 3.47Å; I348-L350 VanDerWaalsContact O-N 3.08Å; I348-W351 PolarHBondContact O-N 3.37Å |
| 349 | S | 29.4 | Very low | 30.4 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -69.1 | -6.3 | -174 | 55.9 | 0 | 0 | 0 | 0 | 116.2 | V347 | V347-S349 VanDerWaalsContact C-N 3.34Š|
| 350 | L | 33.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 59% | 0.592 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -94.2 | -11.7 | 178.6 | -150.7 | 76 | 0 | 0 | 0 | 114 | I348 | I348-L350 PolarHBondContact O-N 3.47Å; I348-L350 VanDerWaalsContact O-N 3.08Å |
| 351 | W | 31.2 | Very low | 30.6 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | -1.4 | -171.3 | -54.6 | 105.1 | 0 | 0 | 0 | 115.5 | I348 W353 | I348-W351 PolarHBondContact O-N 3.37Å; W351-W353 PolarHBondContact O-N 2.89Å |
| 352 | D | 28.8 | Very low | 30.9 | Very low | 130 Ų | 130 | 139 Ų | 139 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | -86.9 | 92.5 | 174.1 | -145 | 15.6 | 0 | 0 | 0 | 109.6 | ||||
| 353 | W | 27 | Very low | 30.7 | Very low | 231 Ų | 231 | 142.3 Ų | 142.3 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | trans | -109.3 | 104.1 | 167.7 | -100.1 | 87 | 0 | 0 | 0 | 108.2 | W351 | W351-W353 PolarHBondContact O-N 2.89Š| ||
| 354 | N | 27.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -132.1 | 118.3 | 160.8 | -162.7 | 38 | 0 | 0 | 0 | 108.3 | ||||
| 355 | E | 31.7 | Very low | 30.7 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | trans | -67.4 | 179.8 | -178.3 | -90.8 | 179.4 | 125.3 | 0 | 0 | 114.2 | ||||
| 356 | P | 45.2 | Very low | 30.8 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 59% | 0.591 | 76% | 0.758 | S | S | * | * | cis | -134.6 | 135 | -41.6 | 34.2 | -17.3 | 0 | 0 | 0 | 111.7 | ||||
| 357 | H | 27.9 | Very low | 31 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | -147.5 | 123.2 | 154.3 | -79 | -63 | 0 | 0 | 0 | 111.9 | ||||
| 358 | L | 28.7 | Very low | 31.2 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 89.8 | 149.2 | 156 | -66.8 | 165.6 | 0 | 0 | 0 | 120.3 | ||||
| 359 | P | 30.8 | Very low | 31.2 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -100.6 | 144.4 | -151.7 | 38.1 | -30.3 | 0 | 0 | 0 | 112.9 | ||||
| 360 | G | 27.4 | Very low | 31.4 | Very low | 80 Ų | 80 | 150.6 Ų | 150.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 166.8 | 116.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 361 | R | 32.2 | Very low | 31.5 | Very low | 248 Ų | 248 | 150 Ų | 150 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | trans | -74.9 | 174.7 | -172.1 | -114.2 | 178.8 | -167.5 | -121.5 | 6 | 113.1 | ||||
| 362 | P | 32.6 | Very low | 31.6 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | -116.9 | 160 | -110.1 | 37.9 | -23.4 | 0 | 0 | 0 | 115.1 | |||||
| 363 | L | 26 | Very low | 31.8 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | trans | -111.6 | 112.5 | 155.3 | -80 | 169 | 0 | 0 | 0 | 109.1 | ||||
| 364 | F | 30.7 | Very low | 32.3 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -70.3 | 118.6 | 174.2 | -106.3 | -104 | 0 | 0 | 0 | 109.9 | ||||
| 365 | L | 30.1 | Very low | 32.9 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 71% | 0.708 | S | S | * | * | trans | 178.5 | 85 | 141.9 | -107.7 | 134.1 | 0 | 0 | 0 | 111.7 | ||||
| 366 | Q | 30.9 | Very low | 33.2 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -164.4 | 140.8 | 156.4 | -131.1 | 165.2 | -11.8 | 0 | 0 | 111.1 | ||||
| 367 | P | 34.9 | Very low | 33.1 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 66% | 0.656 | S | S | * | * | trans | -75.6 | 147.6 | 176.3 | 30.3 | -32.8 | 0 | 0 | 0 | 111.2 | L369 | P367-L369 PolarHBondContact O-N 3.28Š| ||
| 368 | P | 34.9 | Very low | 33.8 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 76% | 0.76 | 62% | 0.62 | S | S | * | * | trans | -87.8 | 107.3 | -175.5 | 34 | -29 | 0 | 0 | 0 | 109.7 | ||||
| 369 | L | 33 | Very low | 34.4 | Very low | 133 Ų | 133 | 111.8 Ų | 111.8 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | trans | -113.3 | 100.5 | 158.4 | -78.8 | 168.4 | 0 | 0 | 0 | 107.3 | P367 Y373 | P367-L369 PolarHBondContact O-N 3.28Å; L369-Y373 HydrophobicContact CD2-CD1 4.28Å | ||
| 370 | Q | 34.1 | Very low | 34.9 | Very low | 131 Ų | 131 | 108.2 Ų | 108.2 | 61% | 0.612 | 58% | 0.576 | S | S | * | * | trans | -65.1 | 139.3 | -176.7 | -70.1 | -148.4 | -5 | 0 | 0 | 111.7 | S372 Y373 | Q370-S372 PolarHBondContact O-N 3.21Å; Q370-S372 VanDerWaalsContact O-N 3.16Å; Q370-Y373 VanDerWaalsContact O-CB 3.26Å; Q370-Y373 WeakPolarHBondContact O-CB 3.38Å; Q370-Y373 PolarHBondContact O-N 3.43Å | ||
| 371 | P | 36.1 | Very low | 35.7 | Very low | 101 Ų | 101 | 105.3 Ų | 105.3 | 66% | 0.656 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -55.6 | -30.4 | 177.6 | -26.9 | 34.2 | 0 | 0 | 0 | 114.6 | Y373 L374 L375 | P371-Y373 PolarHBondContact O-N 2.93Å; P371-L374 PolarHBondContact O-N 2.93Å; P371-L375 PolarHBondContact O-N 2.98Å; P371-L375 VanDerWaalsContact O-N 3.16Å |
| 372 | S | 33.3 | Very low | 36.3 | Very low | 71 Ų | 71 | 94.3 Ų | 94.3 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -31.8 | 174.7 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | Q370 A376 | Q370-S372 PolarHBondContact O-N 3.21Å; Q370-S372 VanDerWaalsContact O-N 3.16Å; S372-A376 WeakPolarHBondContact O-CB 3.36Å; S372-A376 PolarHBondContact O-N 3.3Å |
| 373 | Y | 34 | Very low | 36.6 | Very low | 103 Ų | 103 | 95.9 Ų | 95.9 | 40% | 0.404 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.4 | -32.9 | -180 | -164.7 | -111.6 | 0 | 0 | 0 | 112.5 | L369 Q370 P371 K377 | L369-Y373 HydrophobicContact CD2-CD1 4.28Å; Q370-Y373 VanDerWaalsContact O-CB 3.26Å; Q370-Y373 WeakPolarHBondContact O-CB 3.38Å; Q370-Y373 PolarHBondContact O-N 3.43Å; P371-Y373 PolarHBondContact O-N 2.93Å; Y373-K377 HydrophobicContact CD1-CD 4Å; Y373-K377 HydrophobicContact CE1-CD 3.85Å; Y373-K377 WeakPolarHBondContact O-CB 3.36Å; Y373-K377 VanDerWaalsContact O-CG 3.3Å; Y373-K377 WeakPolarHBondContact O-CG 3.48Å; Y373-K377 PolarHBondContact O-N 2.93Å; Y373-K377 VanDerWaalsContact O-N 3.11Å |
| 374 | L | 37.2 | Very low | 37 | Very low | 96 Ų | 96 | 89 Ų | 89 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72 | -41.6 | 173.8 | -76.3 | 168.9 | 0 | 0 | 0 | 111.4 | P371 K377 W378 | P371-L374 PolarHBondContact O-N 2.93Å; L374-K377 PolarHBondContact O-N 3.48Å; L374-W378 VanDerWaalsContact O-CB 3.25Å; L374-W378 WeakPolarHBondContact O-CB 3.44Å; L374-W378 PolarHBondContact O-N 2.96Å |
| 375 | L | 39.5 | Very low | 37.4 | Very low | 72 Ų | 72 | 80.9 Ų | 80.9 | 38% | 0.377 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 174.8 | -93.7 | 162 | 0 | 0 | 0 | 112.5 | Y285 P371 W378 E379 | Y285-L375 HydrophobicContact CD1-CD2 4.04Å; Y285-L375 HydrophobicContact CD2-CD2 4.27Å; Y285-L375 HydrophobicContact CE1-CD2 3.51Å; Y285-L375 HydrophobicContact CE1-CG 4.36Å; Y285-L375 HydrophobicContact CE2-CD2 3.78Å; Y285-L375 HydrophobicContact CE2-CG 4.48Å; Y285-L375 HydrophobicContact CG-CD2 4.39Å; P371-L375 PolarHBondContact O-N 2.98Å; P371-L375 VanDerWaalsContact O-N 3.16Å; L375-W378 WeakPolarHBondContact O-CB 3.35Å; L375-W378 PolarHBondContact O-N 2.82Å; L375-E379 PolarHBondContact O-N 2.72Å; L375-E379 VanDerWaalsContact O-N 3.13Å |
| 376 | A | 38.5 | Very low | 37.7 | Very low | 9 Ų | 9 | 73.9 Ų | 73.9 | 7% | 0.074 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y128 S372 W378 E379 C380 | Y128-A376 HydrophobicContact CD1-CB 3.19Å; Y128-A376 HydrophobicContact CE1-CB 3.39Å; Y128-A376 HydrophobicContact CG-CB 3.88Å; S372-A376 WeakPolarHBondContact O-CB 3.36Å; S372-A376 PolarHBondContact O-N 3.3Å; A376-W378 VanDerWaalsContact C-N 3.28Å; A376-W378 PolarHBondContact O-N 3.36Å; A376-E379 PolarHBondContact O-N 3Å; A376-C380 PolarHBondContact O-N 3.38Å |
| 377 | K | 43.3 | Very low | 37.7 | Very low | 34 Ų | 34 | 72.1 Ų | 72.1 | 15% | 0.148 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.9 | -32.3 | 174.9 | -82.6 | 178.1 | 165.5 | -172.3 | 0 | 112.4 | P130 L138 Y373 L374 C380 L381 | P130-K377 HydrophobicContact CG-CG 4.3Å; L138-K377 HydrophobicContact CD1-CD 4.38Å; L138-K377 HydrophobicContact CD2-CB 4.49Å; L138-K377 HydrophobicContact CD2-CD 4.32Å; L138-K377 HydrophobicContact CD2-CG 4.4Å; Y373-K377 HydrophobicContact CD1-CD 4Å; Y373-K377 HydrophobicContact CE1-CD 3.85Å; Y373-K377 WeakPolarHBondContact O-CB 3.36Å; Y373-K377 VanDerWaalsContact O-CG 3.3Å; Y373-K377 WeakPolarHBondContact O-CG 3.48Å; Y373-K377 PolarHBondContact O-N 2.93Å; Y373-K377 VanDerWaalsContact O-N 3.11Å; L374-K377 PolarHBondContact O-N 3.48Å; K377-C380 WeakPolarHBondContact O-CB 3.31Å; K377-C380 PolarHBondContact O-N 2.98Å; K377-L381 PolarHBondContact O-N 2.76Å |
| 378 | W | 42.2 | Very low | 37.5 | Very low | 32 Ų | 32 | 71.1 Ų | 71.1 | 12% | 0.121 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 175.6 | -113.6 | 108.6 | 0 | 0 | 0 | 112.4 | L150 V312 I314 L374 L375 A376 C380 L381 L382 | L150-W378 HydrophobicContact CD1-CH2 3.2Å; L150-W378 HydrophobicContact CD1-CZ2 4.05Å; L150-W378 HydrophobicContact CD1-CZ3 3.54Å; V312-W378 HydrophobicContact CB-CH2 4.16Å; V312-W378 HydrophobicContact CB-CZ3 3.81Å; V312-W378 HydrophobicContact CG1-CE3 4.35Å; V312-W378 HydrophobicContact CG1-CH2 3.7Å; V312-W378 HydrophobicContact CG1-CZ3 3.25Å; I314-W378 HydrophobicContact CB-CZ2 4.37Å; I314-W378 HydrophobicContact CD1-CH2 4.3Å; I314-W378 HydrophobicContact CD1-CZ2 3.41Å; I314-W378 VanDerWaalsContact CD1-CZ2 3.41Å; I314-W378 HydrophobicContact CG1-CH2 4.01Å; I314-W378 HydrophobicContact CG1-CZ2 3.47Å; I314-W378 VanDerWaalsContact CG1-CZ2 3.47Å; L374-W378 VanDerWaalsContact O-CB 3.25Å; L374-W378 WeakPolarHBondContact O-CB 3.44Å; L374-W378 PolarHBondContact O-N 2.96Å; L375-W378 WeakPolarHBondContact O-CB 3.35Å; L375-W378 PolarHBondContact O-N 2.82Å; A376-W378 VanDerWaalsContact C-N 3.28Å; A376-W378 PolarHBondContact O-N 3.36Å; W378-C380 PolarHBondContact O-N 3.45Å; W378-L381 PolarHBondContact O-N 3.2Å; W378-L382 HydrophobicContact CE3-CD1 4.1Å; W378-L382 HydrophobicContact CZ3-CD1 4.35Å; W378-L382 PolarHBondContact O-N 3.27Å |
| 379 | E | 41.8 | Very low | 37.4 | Very low | 95 Ų | 95 | 68.8 Ų | 68.8 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65 | -30 | 176.2 | -63.1 | -151.6 | 110.7 | 0 | 0 | 112.9 | K287 L375 A376 L382 Q383 | K287-E379 IonicContact NZ-OE1 2.64Å; K287-E379 PolarHBondContact NZ-OE1 2.97Å; L375-E379 PolarHBondContact O-N 2.72Å; L375-E379 VanDerWaalsContact O-N 3.13Å; A376-E379 PolarHBondContact O-N 3Å; E379-L382 WeakPolarHBondContact O-CB 3.48Å; E379-L382 PolarHBondContact O-N 2.88Å; E379-Q383 PolarHBondContact O-N 3.46Å |
| 380 | C | 40.8 | Very low | 37.3 | Very low | 45 Ų | 45 | 70.1 Ų | 70.1 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 176.5 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | A376 K377 W378 L382 Q383 S384 | A376-C380 PolarHBondContact O-N 3.38Å; K377-C380 WeakPolarHBondContact O-CB 3.31Å; K377-C380 PolarHBondContact O-N 2.98Å; W378-C380 PolarHBondContact O-N 3.45Å; C380-L382 PolarHBondContact O-N 3.45Å; C380-Q383 PolarHBondContact O-N 2.96Å; C380-Q383 VanDerWaalsContact O-N 3.08Å; C380-S384 PolarHBondContact O-N 2.94Å |
| 381 | L | 44.7 | Very low | 37.2 | Very low | 19 Ų | 19 | 69.7 Ų | 69.7 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.8 | -38.1 | 175 | -90 | 152.4 | 0 | 0 | 0 | 112 | I142 L150 K377 W378 Q383 S384 C385 | I142-L381 HydrophobicContact CD1-CD1 4.18Å; L150-L381 HydrophobicContact CD2-CD2 4.37Å; K377-L381 PolarHBondContact O-N 2.76Å; W378-L381 PolarHBondContact O-N 3.2Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; L381-Q383 PolarHBondContact O-N 3.46Å; L381-S384 PolarHBondContact O-N 3.49Å; L381-C385 PolarHBondContact O-N 2.92Å; L381-C385 PolarHBondContact O-SG 2.91Å |
| 382 | L | 44.4 | Very low | 36.9 | Very low | 18 Ų | 18 | 77.8 Ų | 77.8 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 176.7 | -94.4 | 156.2 | 0 | 0 | 0 | 113.4 | K287 V312 W378 E379 C380 Q386 | K287-L382 HydrophobicContact CD-CD1 3.87Å; V312-L382 HydrophobicContact CB-CD1 4.17Å; V312-L382 HydrophobicContact CB-CD2 4.17Å; V312-L382 HydrophobicContact CB-CG 4.45Å; V312-L382 HydrophobicContact CG1-CD1 4.24Å; V312-L382 HydrophobicContact CG1-CD2 3.85Å; V312-L382 HydrophobicContact CG1-CG 4.06Å; V312-L382 HydrophobicContact CG2-CD1 3.92Å; V312-L382 HydrophobicContact CG2-CD2 3.46Å; V312-L382 VanDerWaalsContact CG2-CD2 3.46Å; V312-L382 HydrophobicContact CG2-CG 4.14Å; W378-L382 HydrophobicContact CE3-CD1 4.1Å; W378-L382 HydrophobicContact CZ3-CD1 4.35Å; W378-L382 PolarHBondContact O-N 3.27Å; E379-L382 WeakPolarHBondContact O-CB 3.48Å; E379-L382 PolarHBondContact O-N 2.88Å; C380-L382 PolarHBondContact O-N 3.45Å; L382-Q386 WeakPolarHBondContact O-CG 3.32Å; L382-Q386 PolarHBondContact O-N 3.25Å; L382-Q386 PolarHBondContact O-NE2 3Å |
| 383 | Q | 38.8 | Very low | 37.1 | Very low | 127 Ų | 127 | 78.2 Ų | 78.2 | 59% | 0.593 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -80 | -25.2 | -177.8 | -148.2 | 149.3 | 9 | 0 | 0 | 112.2 | E379 C380 L381 Q386 | E379-Q383 PolarHBondContact O-N 3.46Å; C380-Q383 PolarHBondContact O-N 2.96Å; C380-Q383 VanDerWaalsContact O-N 3.08Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; L381-Q383 PolarHBondContact O-N 3.46Å; Q383-Q386 WeakPolarHBondContact O-CB 3.37Å |
| 384 | S | 34.5 | Very low | 37.2 | Very low | 36 Ų | 36 | 76.8 Ų | 76.8 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -84.4 | -33.2 | 173.3 | -164.5 | 0 | 0 | 0 | 0 | 114.3 | E135 C380 L381 Q386 Q387 D388 | E135-S384 WeakPolarHBondContact OE1-CB 3.25Å; E135-S384 PolarHBondContact OE1-OG 3.44Å; E135-S384 WeakPolarHBondContact OE2-CB 3.46Å; E135-S384 PolarHBondContact OE2-OG 3.48Å; C380-S384 PolarHBondContact O-N 2.94Å; L381-S384 PolarHBondContact O-N 3.49Å; S384-Q386 PolarHBondContact O-N 3.43Å; S384-Q387 WeakPolarHBondContact O-CA 3.39Å; S384-Q387 WeakPolarHBondContact O-CB 3.07Å; S384-Q387 PolarHBondContact O-N 3.18Å; S384-D388 PolarHBondContact O-N 3.26Å |
| 385 | C | 38 | Very low | 37.2 | Very low | 18 Ų | 18 | 75.8 Ų | 75.8 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.2 | -31.9 | 168 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | Y162 L381 Q387 S389 | Y162-C385 HydrophobicContact CD2-CB 4.44Å; Y162-C385 VanDerWaalsContact CE1-SG 3.53Å; Y162-C385 HydrophobicContact CE2-CB 4.41Å; Y162-C385 VanDerWaalsContact CZ-SG 3.57Å; L381-C385 PolarHBondContact O-N 2.92Å; L381-C385 PolarHBondContact O-SG 2.91Å; C385-Q387 VanDerWaalsContact C-N 3.35Å; C385-S389 WeakPolarHBondContact O-CB 3.39Å; C385-S389 PolarHBondContact O-N 2.75Å; C385-S389 VanDerWaalsContact O-N 3.16Å; C385-S389 PolarHBondContact O-OG 2.71Å |
| 386 | Q | 35.9 | Very low | 37.1 | Very low | 27 Ų | 27 | 76 Ų | 76 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.6 | -23.8 | 172.5 | -76.3 | 163.8 | 22.1 | 0 | 0 | 114.3 | W289 P291 M294 L382 Q383 S384 S389 | W289-Q386 HydrophobicContact CZ3-CG 4.21Å; P291-Q386 HydrophobicContact CG-CG 4.34Å; M294-Q386 HydrophobicContact CE-CB 4.23Å; L382-Q386 WeakPolarHBondContact O-CG 3.32Å; L382-Q386 PolarHBondContact O-N 3.25Å; L382-Q386 PolarHBondContact O-NE2 3Å; Q383-Q386 WeakPolarHBondContact O-CB 3.37Å; S384-Q386 PolarHBondContact O-N 3.43Å; Q386-S389 PolarHBondContact O-OG 2.95Å |
| 387 | Q | 32.9 | Very low | 37 | Very low | 121 Ų | 121 | 80.2 Ų | 80.2 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -82 | -38.9 | 177.7 | -141.9 | 88.9 | 30.6 | 0 | 0 | 110.5 | S384 C385 R390 | S384-Q387 WeakPolarHBondContact O-CA 3.39Å; S384-Q387 WeakPolarHBondContact O-CB 3.07Å; S384-Q387 PolarHBondContact O-N 3.18Å; C385-Q387 VanDerWaalsContact C-N 3.35Å; Q387-R390 PolarHBondContact O-N 2.78Å |
| 388 | D | 30.1 | Very low | 36.6 | Very low | 88 Ų | 88 | 83.3 Ų | 83.3 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.4 | -34.6 | 178.6 | -155.7 | 8.4 | 0 | 0 | 0 | 111.9 | S384 R390 V391 | S384-D388 PolarHBondContact O-N 3.26Å; D388-R390 PolarHBondContact O-N 3.11Å; D388-V391 PolarHBondContact O-N 2.8Å |
| 389 | S | 32.8 | Very low | 36.2 | Very low | 69 Ų | 69 | 86.9 Ų | 86.9 | 48% | 0.483 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.1 | 173.1 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | C385 Q386 | C385-S389 WeakPolarHBondContact O-CB 3.39Å; C385-S389 PolarHBondContact O-N 2.75Å; C385-S389 VanDerWaalsContact O-N 3.16Å; C385-S389 PolarHBondContact O-OG 2.71Å; Q386-S389 PolarHBondContact O-OG 2.95Å |
| 390 | R | 31.3 | Very low | 35.8 | Very low | 160 Ų | 160 | 86.3 Ų | 86.3 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -13.6 | 173.5 | -86.5 | -173.1 | -171.5 | -179.9 | 6.1 | 113.2 | M294 Q387 D388 | M294-R390 HydrophobicContact CE-CG 3.95Å; M294-R390 PolarHBondContact SD-NH2 3.4Å; Q387-R390 PolarHBondContact O-N 2.78Å; D388-R390 PolarHBondContact O-N 3.11Å |
| 391 | V | 31.5 | Very low | 35.4 | Very low | 122 Ų | 122 | 89.8 Ų | 89.8 | 74% | 0.739 | 43% | 0.431 | S | S | * | . | trans | -101.7 | -5.1 | -173.2 | -180 | 0 | 0 | 0 | 0 | 111.9 | D388 | D388-V391 PolarHBondContact O-N 2.8Š| ||
| 392 | R | 29.3 | Very low | 34.5 | Very low | 272 Ų | 272 | 96.2 Ų | 96.2 | 100% | 1.026 | 46% | 0.461 | S | S | * | . | trans | -107.9 | 0 | 174.9 | -70.4 | -169.3 | -174.5 | -150.2 | 1.3 | 112.4 |
Retrieved 392 of 392 residues in 59.2 ms
(Link to these results)